| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 69.6 | Low | 79.1 | Confident | 13 Ų | 13 | 26.5 Ų | 26.5 | 6% | 0.064 | 18% | 0.18 | C | C | . | . | 0 | 95.3 | 0 | -173.2 | 108.7 | 60.3 | 0 | 0 | 98 | D3 I4 I22 N25 L26 L27 S1022 L1023 | M1-D3 CarbonylContact C-O 3.18Å; M1-I4 HydrophobicContact CG-CG1 3.73Å; M1-I4 HydrophobicContact SD-CG1 3.66Å; M1-I22 HydrophobicContact CB-CG2 4.07Å; M1-I22 HydrophobicContact CE-CB 4.42Å; M1-I22 HydrophobicContact CE-CD1 4Å; M1-I22 HydrophobicContact CE-CG1 3.96Å; M1-I22 HydrophobicContact CE-CG2 3.8Å; M1-I22 HydrophobicContact CG-CD1 4.38Å; M1-I22 HydrophobicContact CG-CG2 3.84Å; M1-I22 HydrophobicContact SD-CD1 4.27Å; M1-N25 HydrophobicContact CB-CB 4.13Å; M1-N25 WeakPolarHBondContact CB-OD1 3.43Å; M1-N25 WeakPolarHBondContact CE-OD1 3.23Å; M1-L26 CarbonylContact O-C 2.99Å; M1-L26 WeakPolarHBondContact O-CA 3.39Å; M1-L26 WeakPolarHBondContact O-CB 3.37Å; M1-L26 PolarHBondContact O-N 2.67Å; M1-L27 HydrophobicContact CB-CD2 4.43Å; M1-L27 HydrophobicContact CG-CD2 4.05Å; M1-L27 HydrophobicContact CG-CG 4.48Å; M1-L27 WeakPolarHBondContact O-CA 3.15Å; M1-L27 VanDerWaalsContact O-CD2 3.25Å; M1-L27 WeakPolarHBondContact O-CD2 3.35Å; M1-L27 WeakPolarHBondContact O-CG 3.47Å; M1-L27 PolarHBondContact O-N 3.36Å; M1-S1022 PolarHBondContact N-O 3.41Å; M1-L1023 HydrophobicContact CB-CB 4.13Å; M1-L1023 HydrophobicContact CB-CD2 3.43Å; M1-L1023 VanDerWaalsContact CB-CD2 3.43Å; M1-L1023 HydrophobicContact CB-CG 3.82Å; M1-L1023 HydrophobicContact CE-CD2 3.99Å; M1-L1023 HydrophobicContact CG-CD2 3.81Å; M1-L1023 HydrophobicContact SD-CD2 3.35Å; M1-L1023 WeakPolarHBondContact SD-CD2 3.5Å | |||
| 2 | T | 80.7 | Confident | 78.5 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -118.2 | -43.5 | -160.5 | -39.2 | 0 | 0 | 0 | 0 | 106.3 | L26 T28 R973 M976 I977 | T2-L26 VanDerWaalsContact CA-O 3.3Å; T2-L26 WeakPolarHBondContact CA-O 3.39Å; T2-L26 HydrophobicContact CG2-CB 4.25Å; T2-L26 WeakPolarHBondContact CG2-O 3.06Å; T2-L26 VanDerWaalsContact OG1-CB 3.24Å; T2-L26 WeakPolarHBondContact OG1-CB 3.15Å; T2-T28 HydrophobicContact CG2-CG2 4.5Å; T2-R973 WeakPolarHBondContact CB-O 3.43Å; T2-R973 HydrophobicContact CG2-CG 3.83Å; T2-R973 WeakPolarHBondContact CG2-O 3.28Å; T2-R973 PolarHBondContact OG1-O 2.78Å; T2-M976 WeakPolarHBondContact OG1-CB 3.35Å; T2-I977 VanDerWaalsContact C-CG1 3.49Å; T2-I977 HydrophobicContact CG2-CB 3.7Å; T2-I977 HydrophobicContact CG2-CD1 3.51Å; T2-I977 HydrophobicContact CG2-CG1 3.49Å; T2-I977 VanDerWaalsContact CG2-CG1 3.49Å | ||
| 3 | D | 77.5 | Confident | 78.4 | Confident | 24 Ų | 24 | 33.8 Ų | 33.8 | 13% | 0.128 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -112.6 | -176.6 | 133 | -136.2 | -45.8 | 0 | 0 | 0 | 110.3 | M1 P31 I977 | M1-D3 CarbonylContact C-O 3.18Å; D3-P31 WeakPolarHBondContact OD1-CA 3.05Å; D3-P31 WeakPolarHBondContact OD1-CB 3.12Å; D3-I977 HydrophobicContact CB-CG1 4.28Å |
| 4 | I | 81.5 | Confident | 78.5 | Confident | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.015 | 21% | 0.207 | C | C | . | . | trans | -105.2 | 139.3 | 169.3 | -74.5 | 174.1 | 0 | 0 | 0 | 108 | M1 F9 I22 P31 A33 | M1-I4 HydrophobicContact CG-CG1 3.73Å; M1-I4 HydrophobicContact SD-CG1 3.66Å; I4-F9 HydrophobicContact CD1-CE2 4.43Å; I4-F9 HydrophobicContact CG2-CD2 4.5Å; I4-F9 HydrophobicContact CG2-CE2 3.89Å; I4-I22 HydrophobicContact CD1-CD1 3.52Å; I4-I22 HydrophobicContact CG1-CD1 4.24Å; I4-P31 HydrophobicContact CB-CB 4.03Å; I4-P31 HydrophobicContact CD1-CB 3.61Å; I4-P31 HydrophobicContact CD1-CG 3.37Å; I4-P31 HydrophobicContact CG1-CB 3.66Å; I4-P31 HydrophobicContact CG1-CG 3.93Å; I4-A33 WeakPolarHBondContact CB-O 3.46Å; I4-A33 WeakPolarHBondContact CG2-O 3.5Å; I4-A33 WeakPolarHBondContact O-CB 3.11Å | ||
| 5 | D | 83.3 | Confident | 78.7 | Confident | 24 Ų | 24 | 34.5 Ų | 34.5 | 13% | 0.128 | 22% | 0.215 | C | C | . | . | trans | -66.4 | 130 | 169.2 | -177.4 | -58.3 | 0 | 0 | 0 | 109.7 | D7 A8 T983 | D5-D7 VanDerWaalsContact C-N 3.34Å; D5-D7 PolarHBondContact O-N 3.05Å; D5-D7 WeakPolarHBondContact OD1-CB 3.36Å; D5-D7 PolarHBondContact OD1-N 3.22Å; D5-A8 HydrophobicContact CB-CB 4.24Å; D5-A8 WeakPolarHBondContact O-CB 3.45Å; D5-A8 PolarHBondContact O-N 2.8Å; D5-A8 VanDerWaalsContact O-N 3.1Å; D5-T983 WeakPolarHBondContact OD2-CB 3.44Å; D5-T983 WeakPolarHBondContact OD2-CG2 3.27Å | ||
| 6 | P | 79.6 | Confident | 79.3 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -62.9 | -34 | -177.1 | 26 | -37.3 | 0 | 0 | 0 | 115.8 | A8 A33 I984 L1000 L1004 | P6-A8 PolarHBondContact O-N 2.83Å; P6-A33 HydrophobicContact CB-CB 4.47Å; P6-I984 VanDerWaalsContact CD-CG1 3.43Å; P6-I984 HydrophobicContact CG-CB 4.18Å; P6-I984 HydrophobicContact CG-CD1 3.53Å; P6-I984 HydrophobicContact CG-CG1 3.44Å; P6-I984 VanDerWaalsContact CG-CG1 3.44Å; P6-I984 HydrophobicContact CG-CG2 3.63Å; P6-L1000 HydrophobicContact CB-CD2 4.42Å; P6-L1000 WeakPolarHBondContact O-CD2 3.31Å; P6-L1004 HydrophobicContact CB-CD1 3.19Å; P6-L1004 HydrophobicContact CB-CD2 3.47Å; P6-L1004 VanDerWaalsContact CB-CD2 3.47Å; P6-L1004 HydrophobicContact CB-CG 3.86Å; P6-L1004 HydrophobicContact CG-CD1 3.51Å; P6-L1004 HydrophobicContact CG-CD2 3.69Å; P6-L1004 HydrophobicContact CG-CG 4.02Å |
| 7 | D | 81.2 | Confident | 79.9 | Confident | 36 Ų | 36 | 37.1 Ų | 37.1 | 19% | 0.193 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -75.2 | -10.7 | 178.9 | -79.9 | -17.2 | 0 | 0 | 0 | 111 | D5 F9 N10 K987 L1000 | D5-D7 VanDerWaalsContact C-N 3.34Å; D5-D7 PolarHBondContact O-N 3.05Å; D5-D7 WeakPolarHBondContact OD1-CB 3.36Å; D5-D7 PolarHBondContact OD1-N 3.22Å; D7-F9 PolarHBondContact O-N 3.36Å; D7-N10 WeakPolarHBondContact CA-ND2 3.49Å; D7-N10 WeakPolarHBondContact CA-OD1 3.43Å; D7-N10 WeakPolarHBondContact CB-ND2 3.41Å; D7-N10 VanDerWaalsContact CG-ND2 3.3Å; D7-N10 WeakPolarHBondContact O-CB 3.44Å; D7-N10 PolarHBondContact O-N 3.25Å; D7-N10 PolarHBondContact O-OD1 3.06Å; D7-N10 PolarHBondContact OD1-ND2 3.05Å; D7-K987 IonicContact OD2-NZ 3.45Å; D7-K987 PolarHBondContact OD2-NZ 3.32Å; D7-L1000 WeakPolarHBondContact OD1-CD2 3.25Å |
| 8 | A | 81.7 | Confident | 80.6 | Confident | 53 Ų | 53 | 42.1 Ų | 42.1 | 44% | 0.438 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -62.9 | -10.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | D5 P6 | D5-A8 HydrophobicContact CB-CB 4.24Å; D5-A8 WeakPolarHBondContact O-CB 3.45Å; D5-A8 PolarHBondContact O-N 2.8Å; D5-A8 VanDerWaalsContact O-N 3.1Å; P6-A8 PolarHBondContact O-N 2.83Å |
| 9 | F | 81.9 | Confident | 81.3 | Confident | 18 Ų | 18 | 46.5 Ų | 46.5 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -118.4 | 8.8 | 175.7 | -62.4 | -64 | 0 | 0 | 0 | 114 | I4 D7 P13 I14 L17 L20 L38 | I4-F9 HydrophobicContact CD1-CE2 4.43Å; I4-F9 HydrophobicContact CG2-CD2 4.5Å; I4-F9 HydrophobicContact CG2-CE2 3.89Å; D7-F9 PolarHBondContact O-N 3.36Å; F9-P13 HydrophobicContact CB-CB 4.28Å; F9-P13 HydrophobicContact CD1-CB 4.29Å; F9-P13 WeakPolarHBondContact O-CB 3.36Å; F9-I14 HydrophobicContact CB-CG1 4.3Å; F9-I14 WeakPolarHBondContact O-CG1 3.23Å; F9-I14 PolarHBondContact O-N 3.29Å; F9-L17 HydrophobicContact CD1-CD2 3.89Å; F9-L17 HydrophobicContact CE1-CD2 3.65Å; F9-L20 HydrophobicContact CE1-CD1 4.08Å; F9-L20 HydrophobicContact CE1-CD2 4.36Å; F9-L20 HydrophobicContact CE2-CD2 4.15Å; F9-L20 HydrophobicContact CZ-CD1 3.77Å; F9-L20 HydrophobicContact CZ-CD2 3.59Å; F9-L20 HydrophobicContact CZ-CG 4.34Å; F9-L38 HydrophobicContact CB-CD2 3.66Å; F9-L38 HydrophobicContact CB-CG 4.41Å; F9-L38 HydrophobicContact CD1-CD1 4.4Å; F9-L38 HydrophobicContact CD1-CD2 3.84Å; F9-L38 HydrophobicContact CD2-CD1 4.17Å; F9-L38 HydrophobicContact CD2-CD2 4.14Å; F9-L38 HydrophobicContact CD2-CG 4.1Å; F9-L38 HydrophobicContact CE1-CD1 4.34Å; F9-L38 HydrophobicContact CE2-CD1 4.08Å; F9-L38 HydrophobicContact CG-CD1 4.33Å; F9-L38 HydrophobicContact CG-CD2 3.61Å; F9-L38 HydrophobicContact CG-CG 4.1Å; F9-L38 HydrophobicContact CZ-CD1 4.18Å |
| 10 | N | 73.8 | Confident | 81.9 | Confident | 62 Ų | 62 | 45.2 Ų | 45.2 | 33% | 0.332 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 147.4 | -171.9 | -71.8 | 2.6 | 0 | 0 | 0 | 114.3 | D7 P13 L1000 | D7-N10 WeakPolarHBondContact CA-ND2 3.49Å; D7-N10 WeakPolarHBondContact CA-OD1 3.43Å; D7-N10 WeakPolarHBondContact CB-ND2 3.41Å; D7-N10 VanDerWaalsContact CG-ND2 3.3Å; D7-N10 WeakPolarHBondContact O-CB 3.44Å; D7-N10 PolarHBondContact O-N 3.25Å; D7-N10 PolarHBondContact O-OD1 3.06Å; D7-N10 PolarHBondContact OD1-ND2 3.05Å; N10-P13 WeakPolarHBondContact O-CD 3.44Å; N10-L1000 WeakPolarHBondContact OD1-CD1 3.27Å; N10-L1000 WeakPolarHBondContact OD1-CD2 3.13Å |
| 11 | G | 79.7 | Confident | 82.4 | Confident | 58 Ų | 58 | 47.4 Ų | 47.4 | 60% | 0.598 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | -126.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 12 | L | 71.8 | Confident | 83.4 | Confident | 130 Ų | 130 | 46.8 Ų | 46.8 | 68% | 0.681 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -58.3 | -42.7 | -174.5 | -87 | 155.1 | 0 | 0 | 0 | 114.8 | I14 T15 T16 | L12-I14 PolarHBondContact O-N 3.12Å; L12-T15 PolarHBondContact O-N 2.81Å; L12-T15 PolarHBondContact O-OG1 2.86Å; L12-T16 HydrophobicContact CD2-CG2 4.19Å; L12-T16 WeakPolarHBondContact O-CB 3.45Å; L12-T16 WeakPolarHBondContact O-CG2 3.44Å; L12-T16 PolarHBondContact O-N 2.6Å; L12-T16 VanDerWaalsContact O-N 3.14Å; L12-T16 PolarHBondContact O-OG1 2.84Å |
| 13 | P | 76.4 | Confident | 83.9 | Confident | 18 Ų | 18 | 49.7 Ų | 49.7 | 12% | 0.117 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61 | -40.5 | -174.8 | -24.3 | 34.4 | 0 | 0 | 0 | 114.2 | F9 N10 T15 T16 L17 | F9-P13 HydrophobicContact CB-CB 4.28Å; F9-P13 HydrophobicContact CD1-CB 4.29Å; F9-P13 WeakPolarHBondContact O-CB 3.36Å; N10-P13 WeakPolarHBondContact O-CD 3.44Å; P13-T15 PolarHBondContact O-N 2.86Å; P13-T15 VanDerWaalsContact O-N 3.1Å; P13-T16 PolarHBondContact O-N 3.18Å; P13-T16 VanDerWaalsContact O-N 3.08Å; P13-L17 HydrophobicContact CB-CB 4.41Å; P13-L17 VanDerWaalsContact O-CB 3.27Å; P13-L17 WeakPolarHBondContact O-CB 3.06Å; P13-L17 PolarHBondContact O-N 3.37Å |
| 14 | I | 80.6 | Confident | 84.6 | Confident | 24 Ų | 24 | 48.7 Ų | 48.7 | 12% | 0.123 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -44.7 | -44.4 | 173.7 | -84.6 | 162.7 | 0 | 0 | 0 | 112.4 | F9 L12 K37 Q39 L1000 | F9-I14 HydrophobicContact CB-CG1 4.3Å; F9-I14 WeakPolarHBondContact O-CG1 3.23Å; F9-I14 PolarHBondContact O-N 3.29Å; L12-I14 PolarHBondContact O-N 3.12Å; I14-K37 HydrophobicContact CD1-CB 4.35Å; I14-K37 HydrophobicContact CG1-CB 4.26Å; I14-Q39 HydrophobicContact CG2-CG 4.13Å; I14-Q39 WeakPolarHBondContact O-CB 3.45Å; I14-Q39 PolarHBondContact O-N 2.83Å; I14-L1000 HydrophobicContact CD1-CD1 4.01Å |
| 15 | T | 81.8 | Confident | 85 | Confident | 53 Ų | 53 | 48.5 Ų | 48.5 | 33% | 0.325 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -96.8 | -10.9 | -176.2 | 68.6 | 0 | 0 | 0 | 0 | 114.3 | L12 P13 R40 | L12-T15 PolarHBondContact O-N 2.81Å; L12-T15 PolarHBondContact O-OG1 2.86Å; P13-T15 PolarHBondContact O-N 2.86Å; P13-T15 VanDerWaalsContact O-N 3.1Å; T15-R40 VanDerWaalsContact O-CD 3.25Å; T15-R40 WeakPolarHBondContact O-CD 3.37Å; T15-R40 PolarHBondContact O-NH1 3.19Å |
| 16 | T | 87.7 | Confident | 85.2 | Confident | 76 Ų | 76 | 47.4 Ų | 47.4 | 47% | 0.466 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -122.7 | -26.9 | -169.3 | 58.9 | 0 | 0 | 0 | 0 | 115.2 | L12 P13 R18 | L12-T16 HydrophobicContact CD2-CG2 4.19Å; L12-T16 WeakPolarHBondContact O-CB 3.45Å; L12-T16 WeakPolarHBondContact O-CG2 3.44Å; L12-T16 PolarHBondContact O-N 2.6Å; L12-T16 VanDerWaalsContact O-N 3.14Å; L12-T16 PolarHBondContact O-OG1 2.84Å; P13-T16 PolarHBondContact O-N 3.18Å; P13-T16 VanDerWaalsContact O-N 3.08Å; T16-R18 PolarHBondContact O-N 3.31Å |
| 17 | L | 89.4 | Confident | 85.7 | Confident | 38 Ų | 38 | 47.3 Ų | 47.3 | 20% | 0.199 | 26% | 0.257 | C | S | . | . | trans | -68.7 | 126.3 | -176.6 | -167.5 | 69.4 | 0 | 0 | 0 | 110.2 | F9 P13 E19 L20 L38 R40 L41 | F9-L17 HydrophobicContact CD1-CD2 3.89Å; F9-L17 HydrophobicContact CE1-CD2 3.65Å; P13-L17 HydrophobicContact CB-CB 4.41Å; P13-L17 VanDerWaalsContact O-CB 3.27Å; P13-L17 WeakPolarHBondContact O-CB 3.06Å; P13-L17 PolarHBondContact O-N 3.37Å; L17-E19 WeakPolarHBondContact CD1-O 3.48Å; L17-L20 HydrophobicContact CD2-CB 4.42Å; L17-L38 HydrophobicContact CB-CD2 4.09Å; L17-L38 HydrophobicContact CD2-CD1 3.93Å; L17-L38 HydrophobicContact CD2-CD2 3.98Å; L17-R40 CarbonylContact O-C 3.58Å; L17-L41 PolarHBondContact O-N 3Å | ||
| 18 | R | 92 | Very high | 86.1 | Confident | 127 Ų | 127 | 48.4 Ų | 48.4 | 48% | 0.479 | 27% | 0.265 | S | S | . | . | trans | -109.6 | -26 | 177.8 | -65.9 | -166.5 | -176 | -169.7 | -1.5 | 113.7 | T16 R40 S42 T43 | T16-R18 PolarHBondContact O-N 3.31Å; R18-R40 WeakPolarHBondContact CA-O 3.49Å; R18-S42 PolarHBondContact O-N 3.5Å; R18-S42 PolarHBondContact O-OG 3.41Å; R18-S42 VanDerWaalsContact O-OG 3.13Å; R18-T43 PolarHBondContact O-N 2.69Å | ||
| 19 | E | 94.4 | Very high | 86.5 | Confident | 125 Ų | 125 | 47.8 Ų | 47.8 | 58% | 0.584 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 133.2 | -174.9 | -48.1 | -155.9 | 115.5 | 0 | 0 | 108.9 | L17 T43 | L17-E19 WeakPolarHBondContact CD1-O 3.48Å; E19-T43 CarbonylContact C-O 3.48Å; E19-T43 WeakPolarHBondContact CA-O 3.43Å; E19-T43 VanDerWaalsContact OE1-CB 3.28Å; E19-T43 WeakPolarHBondContact OE1-CB 3.41Å; E19-T43 PolarHBondContact OE1-OG1 3.01Å |
| 20 | L | 92.4 | Very high | 86.9 | Confident | 21 Ų | 21 | 46.9 Ų | 46.9 | 11% | 0.11 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 101.9 | -178.4 | 176.8 | 55.9 | 0 | 0 | 0 | 108.4 | F9 L17 I22 L38 L41 T43 F44 V45 | F9-L20 HydrophobicContact CE1-CD1 4.08Å; F9-L20 HydrophobicContact CE1-CD2 4.36Å; F9-L20 HydrophobicContact CE2-CD2 4.15Å; F9-L20 HydrophobicContact CZ-CD1 3.77Å; F9-L20 HydrophobicContact CZ-CD2 3.59Å; F9-L20 HydrophobicContact CZ-CG 4.34Å; L17-L20 HydrophobicContact CD2-CB 4.42Å; L20-I22 HydrophobicContact CD1-CD1 4Å; L20-I22 HydrophobicContact CD1-CG1 3.92Å; L20-I22 HydrophobicContact CD2-CD1 4.03Å; L20-I22 HydrophobicContact CG-CD1 3.9Å; L20-I22 HydrophobicContact CG-CG1 3.96Å; L20-L38 HydrophobicContact CD2-CD1 3.79Å; L20-L41 HydrophobicContact CB-CD1 3.5Å; L20-L41 VanDerWaalsContact CB-CD1 3.5Å; L20-L41 HydrophobicContact CD2-CD2 4.47Å; L20-T43 PolarHBondContact N-O 3.16Å; L20-F44 HydrophobicContact CB-CD2 4.21Å; L20-F44 HydrophobicContact CD2-CD2 4.04Å; L20-F44 HydrophobicContact CD2-CE2 3.7Å; L20-F44 HydrophobicContact CG-CD2 4.14Å; L20-F44 HydrophobicContact CG-CE2 4.11Å; L20-V45 PolarHBondContact O-N 3.29Å |
| 21 | E | 93.5 | Very high | 87.7 | Confident | 91 Ų | 91 | 44 Ų | 44 | 43% | 0.425 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 116.9 | 173.5 | -65.7 | -135.2 | 147.9 | 0 | 0 | 111.6 | R23 V45 P1025 | E21-R23 VanDerWaalsContact CD-NE 3.27Å; E21-R23 IonicContact OE1-CZ 3.92Å; E21-R23 IonicContact OE1-NE 2.68Å; E21-R23 PolarHBondContact OE1-NE 3.16Å; E21-R23 IonicContact OE1-NH2 3.99Å; E21-R23 PolarHBondContact OE1-NH2 2.86Å; E21-R23 VanDerWaalsContact OE2-CD 3.26Å; E21-R23 WeakPolarHBondContact OE2-CD 3Å; E21-R23 IonicContact OE2-CZ 2.69Å; E21-R23 IonicContact OE2-NE 2.8Å; E21-R23 PolarHBondContact OE2-NE 3.2Å; E21-R23 IonicContact OE2-NH2 3.91Å; E21-V45 HydrophobicContact CB-CB 4.32Å; E21-V45 HydrophobicContact CB-CG1 4.45Å; E21-V45 HydrophobicContact CG-CB 3.95Å; E21-V45 HydrophobicContact CG-CG1 4.23Å; E21-V45 HydrophobicContact CG-CG2 4.15Å; E21-P1025 WeakPolarHBondContact O-CG 3.24Å |
| 22 | I | 90.5 | Very high | 87.9 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | trans | -119.6 | 52.6 | 175 | -55.7 | -175.4 | 0 | 0 | 0 | 106.3 | M1 I4 L20 N25 L27 F44 V45 L46 N49 | M1-I22 HydrophobicContact CB-CG2 4.07Å; M1-I22 HydrophobicContact CE-CB 4.42Å; M1-I22 HydrophobicContact CE-CD1 4Å; M1-I22 HydrophobicContact CE-CG1 3.96Å; M1-I22 HydrophobicContact CE-CG2 3.8Å; M1-I22 HydrophobicContact CG-CD1 4.38Å; M1-I22 HydrophobicContact CG-CG2 3.84Å; M1-I22 HydrophobicContact SD-CD1 4.27Å; I4-I22 HydrophobicContact CD1-CD1 3.52Å; I4-I22 HydrophobicContact CG1-CD1 4.24Å; L20-I22 HydrophobicContact CD1-CD1 4Å; L20-I22 HydrophobicContact CD1-CG1 3.92Å; L20-I22 HydrophobicContact CD2-CD1 4.03Å; L20-I22 HydrophobicContact CG-CD1 3.9Å; L20-I22 HydrophobicContact CG-CG1 3.96Å; I22-N25 HydrophobicContact CG2-CB 3.44Å; I22-N25 VanDerWaalsContact CG2-CB 3.44Å; I22-N25 VanDerWaalsContact CG2-CG 3.47Å; I22-L27 HydrophobicContact CG2-CD1 3.76Å; I22-L27 HydrophobicContact CG2-CG 4.45Å; I22-F44 HydrophobicContact CD1-CE2 4.23Å; I22-V45 CarbonylContact C-O 3.58Å; I22-V45 WeakPolarHBondContact CA-O 3.47Å; I22-V45 WeakPolarHBondContact CB-O 3.4Å; I22-V45 PolarHBondContact N-O 2.68Å; I22-L46 HydrophobicContact CB-CD2 4.08Å; I22-L46 HydrophobicContact CD1-CD2 4.43Å; I22-L46 HydrophobicContact CG2-CD2 4.46Å; I22-N49 PolarHBondContact O-ND2 2.56Å | ||
| 23 | R | 92.1 | Very high | 88.3 | Confident | 61 Ų | 61 | 38.5 Ų | 38.5 | 23% | 0.23 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 147.3 | 177.9 | -67.8 | -165.9 | -172.7 | -79.5 | -11.9 | 111 | E21 N25 V45 A47 D72 | E21-R23 VanDerWaalsContact CD-NE 3.27Å; E21-R23 IonicContact OE1-CZ 3.92Å; E21-R23 IonicContact OE1-NE 2.68Å; E21-R23 PolarHBondContact OE1-NE 3.16Å; E21-R23 IonicContact OE1-NH2 3.99Å; E21-R23 PolarHBondContact OE1-NH2 2.86Å; E21-R23 VanDerWaalsContact OE2-CD 3.26Å; E21-R23 WeakPolarHBondContact OE2-CD 3Å; E21-R23 IonicContact OE2-CZ 2.69Å; E21-R23 IonicContact OE2-NE 2.8Å; E21-R23 PolarHBondContact OE2-NE 3.2Å; E21-R23 IonicContact OE2-NH2 3.91Å; R23-N25 PolarHBondContact O-ND2 2.85Å; R23-V45 HydrophobicContact CG-CG1 3.4Å; R23-A47 CarbonylContact C-O 3.57Å; R23-A47 WeakPolarHBondContact CA-O 3.37Å; R23-A47 HydrophobicContact CG-CB 4.31Å; R23-D72 IonicContact CZ-OD2 3.52Å; R23-D72 IonicContact NH1-OD2 2.66Å; R23-D72 PolarHBondContact NH1-OD2 2.69Å; R23-D72 IonicContact NH2-OD2 2.65Å; R23-D72 PolarHBondContact NH2-OD2 3.11Å |
| 24 | N | 91.5 | Very high | 88.6 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.011 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 36 | 176.6 | -66.6 | 20.9 | 0 | 0 | 0 | 112.6 | A47 N48 R950 F952 F953 P954 S1022 | N24-A47 PolarHBondContact N-O 2.96Å; N24-N48 CarbonylContact C-O 3.59Å; N24-N48 WeakPolarHBondContact CA-O 3.46Å; N24-N48 PolarHBondContact N-O 2.62Å; N24-R950 HydrophobicContact CB-CG 3.8Å; N24-R950 PolarHBondContact ND2-NE 3.15Å; N24-R950 VanDerWaalsContact ND2-NE 3.15Å; N24-R950 PolarHBondContact ND2-NH2 2.85Å; N24-R950 PolarHBondContact OD1-NH2 3.13Å; N24-F952 WeakPolarHBondContact CA-O 3.26Å; N24-F952 WeakPolarHBondContact CB-O 3.11Å; N24-F953 WeakPolarHBondContact ND2-CD1 3.09Å; N24-F953 WeakPolarHBondContact ND2-CE1 3.33Å; N24-F953 VanDerWaalsContact ND2-CG 3.27Å; N24-F953 WeakPolarHBondContact ND2-CG 3.31Å; N24-P954 WeakPolarHBondContact OD1-CD 2.88Å; N24-P954 WeakPolarHBondContact OD1-CG 2.61Å; N24-S1022 VanDerWaalsContact O-CA 3.31Å; N24-S1022 WeakPolarHBondContact O-CA 3.14Å; N24-S1022 WeakPolarHBondContact O-CB 3.06Å; N24-S1022 PolarHBondContact O-N 3.39Å; N24-S1022 PolarHBondContact O-OG 3.46Å |
| 25 | N | 89.2 | Confident | 88.9 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -114.6 | 178.3 | -166.5 | -91.9 | -111.4 | 0 | 0 | 0 | 115.3 | M1 I22 R23 N48 N49 S1021 S1022 L1023 | M1-N25 HydrophobicContact CB-CB 4.13Å; M1-N25 WeakPolarHBondContact CB-OD1 3.43Å; M1-N25 WeakPolarHBondContact CE-OD1 3.23Å; I22-N25 HydrophobicContact CG2-CB 3.44Å; I22-N25 VanDerWaalsContact CG2-CB 3.44Å; I22-N25 VanDerWaalsContact CG2-CG 3.47Å; R23-N25 PolarHBondContact O-ND2 2.85Å; N25-N48 PolarHBondContact N-O 2.95Å; N25-N49 VanDerWaalsContact CA-OD1 3.28Å; N25-N49 WeakPolarHBondContact CA-OD1 3.49Å; N25-N49 WeakPolarHBondContact CB-OD1 3.32Å; N25-N49 PolarHBondContact N-ND2 2.94Å; N25-N49 WeakPolarHBondContact O-CA 3.45Å; N25-N49 PolarHBondContact O-OD1 3.37Å; N25-S1021 CarbonylContact C-O 2.78Å; N25-S1021 CarbonylContact O-C 3.07Å; N25-S1021 WeakPolarHBondContact O-CB 3.33Å; N25-S1021 PolarHBondContact O-OG 2.81Å; N25-S1022 CarbonylContact C-O 3.58Å; N25-S1022 WeakPolarHBondContact CA-O 3.38Å; N25-S1022 VanDerWaalsContact CB-O 3.31Å; N25-S1022 WeakPolarHBondContact CB-O 3.3Å; N25-S1022 VanDerWaalsContact CG-O 3.31Å; N25-S1022 PolarHBondContact O-N 3.47Å; N25-S1022 PolarHBondContact OD1-O 2.94Å; N25-S1022 VanDerWaalsContact OD1-O 3.14Å; N25-L1023 WeakPolarHBondContact OD1-CA 3.41Å; N25-L1023 PolarHBondContact OD1-O 3.41Å |
| 26 | L | 88.2 | Confident | 89.2 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -104.9 | 17.1 | -163.2 | -73.3 | 152.7 | 0 | 0 | 0 | 111.8 | M1 T2 T28 N49 F952 R973 M976 S1021 S1022 | M1-L26 CarbonylContact O-C 2.99Å; M1-L26 WeakPolarHBondContact O-CA 3.39Å; M1-L26 WeakPolarHBondContact O-CB 3.37Å; M1-L26 PolarHBondContact O-N 2.67Å; T2-L26 VanDerWaalsContact CA-O 3.3Å; T2-L26 WeakPolarHBondContact CA-O 3.39Å; T2-L26 HydrophobicContact CG2-CB 4.25Å; T2-L26 WeakPolarHBondContact CG2-O 3.06Å; T2-L26 VanDerWaalsContact OG1-CB 3.24Å; T2-L26 WeakPolarHBondContact OG1-CB 3.15Å; L26-T28 PolarHBondContact O-N 3.36Å; L26-N49 PolarHBondContact N-OD1 2.91Å; L26-F952 HydrophobicContact CD1-CE1 4.35Å; L26-F952 HydrophobicContact CD1-CE2 4.48Å; L26-F952 HydrophobicContact CD1-CZ 3.84Å; L26-F952 HydrophobicContact CD2-CD1 4.17Å; L26-F952 HydrophobicContact CD2-CE1 3.39Å; L26-F952 HydrophobicContact CD2-CZ 3.74Å; L26-F952 HydrophobicContact CG-CE1 4.14Å; L26-F952 HydrophobicContact CG-CZ 4.11Å; L26-R973 VanDerWaalsContact C-CZ 3.41Å; L26-R973 VanDerWaalsContact C-NH1 3.35Å; L26-R973 VanDerWaalsContact CA-NH1 3.28Å; L26-R973 HydrophobicContact CB-CB 4.37Å; L26-R973 HydrophobicContact CB-CG 4.25Å; L26-R973 HydrophobicContact CD2-CB 3.29Å; L26-R973 HydrophobicContact CD2-CG 3.87Å; L26-R973 VanDerWaalsContact CD2-N 3.29Å; L26-R973 HydrophobicContact CG-CB 4.2Å; L26-R973 PolarHBondContact O-NH2 3.2Å; L26-M976 HydrophobicContact CD1-CB 4.25Å; L26-M976 HydrophobicContact CD1-CG 4.24Å; L26-M976 HydrophobicContact CD1-SD 3.16Å; L26-M976 WeakPolarHBondContact CD1-SD 3.43Å; L26-S1021 WeakPolarHBondContact CA-O 3.33Å; L26-S1021 WeakPolarHBondContact CB-O 3.39Å; L26-S1021 WeakPolarHBondContact CD2-O 3.15Å; L26-S1021 WeakPolarHBondContact CG-O 3.23Å; L26-S1021 PolarHBondContact N-O 2.66Å; L26-S1022 WeakPolarHBondContact CA-O 2.96Å; L26-S1022 VanDerWaalsContact CB-O 3.26Å; L26-S1022 WeakPolarHBondContact CB-O 3.4Å; L26-S1022 VanDerWaalsContact CD1-C 3.44Å; L26-S1022 VanDerWaalsContact CG-C 3.43Å; L26-S1022 VanDerWaalsContact CG-O 3.3Å; L26-S1022 WeakPolarHBondContact CG-O 3.49Å; L26-S1022 PolarHBondContact N-O 3.4Å | ||
| 27 | L | 89.1 | Confident | 89.2 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -66.9 | 125.6 | -173.8 | -66.2 | 168.6 | 0 | 0 | 0 | 107.3 | M1 I22 S29 P31 L46 N49 N50 I51 R973 | M1-L27 HydrophobicContact CB-CD2 4.43Å; M1-L27 HydrophobicContact CG-CD2 4.05Å; M1-L27 HydrophobicContact CG-CG 4.48Å; M1-L27 WeakPolarHBondContact O-CA 3.15Å; M1-L27 VanDerWaalsContact O-CD2 3.25Å; M1-L27 WeakPolarHBondContact O-CD2 3.35Å; M1-L27 WeakPolarHBondContact O-CG 3.47Å; M1-L27 PolarHBondContact O-N 3.36Å; I22-L27 HydrophobicContact CG2-CD1 3.76Å; I22-L27 HydrophobicContact CG2-CG 4.45Å; L27-S29 VanDerWaalsContact C-N 3.35Å; L27-S29 WeakPolarHBondContact CB-O 3.07Å; L27-P31 HydrophobicContact CD1-CG 4Å; L27-P31 HydrophobicContact CD2-CB 3.73Å; L27-P31 HydrophobicContact CD2-CG 3.79Å; L27-L46 HydrophobicContact CD1-CD2 3.46Å; L27-L46 VanDerWaalsContact CD1-CD2 3.46Å; L27-N49 HydrophobicContact CB-CB 4.22Å; L27-N49 WeakPolarHBondContact CB-OD1 3.35Å; L27-N49 WeakPolarHBondContact CD1-OD1 3.43Å; L27-N49 VanDerWaalsContact CG-OD1 3.27Å; L27-N49 WeakPolarHBondContact CG-OD1 3.11Å; L27-N49 PolarHBondContact N-OD1 3.23Å; L27-N50 CarbonylContact O-C 3.5Å; L27-N50 WeakPolarHBondContact O-CA 3.43Å; L27-N50 PolarHBondContact O-N 3.12Å; L27-I51 HydrophobicContact CB-CD1 4.13Å; L27-I51 HydrophobicContact CB-CG1 3.98Å; L27-I51 PolarHBondContact O-N 3.19Å; L27-R973 PolarHBondContact O-NH2 2.82Å | ||
| 28 | T | 89.5 | Confident | 89.2 | Confident | 59 Ų | 59 | 29.2 Ų | 29.2 | 36% | 0.362 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -88.2 | -14.1 | 170.9 | 39.8 | 0 | 0 | 0 | 0 | 111.9 | T2 L26 N50 R973 I977 | T2-T28 HydrophobicContact CG2-CG2 4.5Å; L26-T28 PolarHBondContact O-N 3.36Å; T28-N50 CarbonylContact C-O 3.53Å; T28-N50 VanDerWaalsContact CA-O 3.3Å; T28-N50 WeakPolarHBondContact CA-O 3.36Å; T28-R973 HydrophobicContact CG2-CG 4.15Å; T28-I977 WeakPolarHBondContact OG1-CD1 3.3Å |
| 29 | S | 90.5 | Very high | 89.1 | Confident | 39 Ų | 39 | 26.9 Ų | 26.9 | 27% | 0.273 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -157.3 | 160.8 | -172.3 | 42.4 | 0 | 0 | 0 | 0 | 107.5 | L27 | L27-S29 VanDerWaalsContact C-N 3.35Å; L27-S29 WeakPolarHBondContact CB-O 3.07Å |
| 30 | V | 91.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -60.5 | 129.9 | 169.7 | 169.7 | 0 | 0 | 0 | 0 | 108.7 | Q32 L46 I51 L54 S58 F59 Y62 | V30-Q32 PolarHBondContact O-N 3.37Å; V30-Q32 PolarHBondContact O-NE2 3.07Å; V30-L46 HydrophobicContact CG2-CD1 4.08Å; V30-I51 HydrophobicContact CG2-CD1 4.09Å; V30-L54 HydrophobicContact CB-CD1 4.38Å; V30-L54 HydrophobicContact CG2-CD1 3.35Å; V30-S58 WeakPolarHBondContact CG1-O 3.45Å; V30-F59 HydrophobicContact CB-CZ 4.36Å; V30-F59 HydrophobicContact CG1-CD1 3.96Å; V30-F59 HydrophobicContact CG1-CE1 3.59Å; V30-F59 HydrophobicContact CG1-CE2 4.48Å; V30-F59 HydrophobicContact CG1-CZ 3.88Å; V30-F59 HydrophobicContact CG2-CE1 4.15Å; V30-F59 HydrophobicContact CG2-CE2 3.98Å; V30-F59 HydrophobicContact CG2-CZ 3.57Å; V30-Y62 HydrophobicContact CG1-CE2 3.94Å; V30-Y62 VanDerWaalsContact CG1-OH 3.28Å; V30-Y62 WeakPolarHBondContact CG1-OH 3.04Å | ||
| 31 | P | 89.1 | Confident | 88.8 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -73.3 | 102.6 | -169.9 | 24.6 | -31 | 0 | 0 | 0 | 111.5 | D3 I4 L27 A33 S35 F44 Y62 | D3-P31 WeakPolarHBondContact OD1-CA 3.05Å; D3-P31 WeakPolarHBondContact OD1-CB 3.12Å; I4-P31 HydrophobicContact CB-CB 4.03Å; I4-P31 HydrophobicContact CD1-CB 3.61Å; I4-P31 HydrophobicContact CD1-CG 3.37Å; I4-P31 HydrophobicContact CG1-CB 3.66Å; I4-P31 HydrophobicContact CG1-CG 3.93Å; L27-P31 HydrophobicContact CD1-CG 4Å; L27-P31 HydrophobicContact CD2-CB 3.73Å; L27-P31 HydrophobicContact CD2-CG 3.79Å; P31-A33 PolarHBondContact O-N 3.42Å; P31-S35 PolarHBondContact O-OG 2.87Å; P31-F44 HydrophobicContact CG-CZ 4.2Å; P31-Y62 PolarHBondContact O-OH 3Å | ||
| 32 | Q | 84.5 | Confident | 88.8 | Confident | 68 Ų | 68 | 22 Ų | 22 | 32% | 0.318 | 11% | 0.108 | S | C | . | . | trans | -67.2 | -27.3 | -177.4 | -60.7 | -51.3 | -67.6 | 0 | 0 | 111.7 | V30 S36 S58 I61 | V30-Q32 PolarHBondContact O-N 3.37Å; V30-Q32 PolarHBondContact O-NE2 3.07Å; Q32-S36 VanDerWaalsContact O-CB 3.27Å; Q32-S36 WeakPolarHBondContact O-CB 3.42Å; Q32-S36 PolarHBondContact O-OG 3.07Å; Q32-S58 PolarHBondContact NE2-O 3.22Å; Q32-I61 HydrophobicContact CB-CD1 3.76Å; Q32-I61 HydrophobicContact CG-CD1 4.39Å; Q32-I61 VanDerWaalsContact O-CD1 3.26Å; Q32-I61 WeakPolarHBondContact O-CD1 3.43Å; Q32-I61 VanDerWaalsContact OE1-CD1 3.28Å | ||
| 33 | A | 80.7 | Confident | 89.1 | Confident | 5 Ų | 5 | 22.7 Ų | 22.7 | 4% | 0.041 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -80 | 144.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I4 P6 P31 S35 L1004 | I4-A33 WeakPolarHBondContact CB-O 3.46Å; I4-A33 WeakPolarHBondContact CG2-O 3.5Å; I4-A33 WeakPolarHBondContact O-CB 3.11Å; P6-A33 HydrophobicContact CB-CB 4.47Å; P31-A33 PolarHBondContact O-N 3.42Å; A33-S35 VanDerWaalsContact C-N 3.27Å; A33-S35 PolarHBondContact O-N 2.77Å; A33-L1004 HydrophobicContact CB-CD2 3.32Å |
| 34 | G | 82.3 | Confident | 89.3 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | S | Bend | trans | 68.7 | -64.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | S36 K37 | G34-S36 PolarHBondContact O-N 3.44Å; G34-K37 WeakPolarHBondContact O-CB 3.28Å; G34-K37 PolarHBondContact O-N 3.42Å |
| 35 | S | 86.7 | Confident | 89.5 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -60.8 | -27.6 | -179.3 | 67.2 | 0 | 0 | 0 | 0 | 112.6 | P31 A33 K37 L38 Y62 | P31-S35 PolarHBondContact O-OG 2.87Å; A33-S35 VanDerWaalsContact C-N 3.27Å; A33-S35 PolarHBondContact O-N 2.77Å; S35-K37 PolarHBondContact O-N 3.29Å; S35-L38 WeakPolarHBondContact O-CB 3.44Å; S35-L38 PolarHBondContact O-N 2.8Å; S35-Y62 VanDerWaalsContact C-CE1 3.49Å; S35-Y62 WeakPolarHBondContact O-CD1 3.18Å; S35-Y62 VanDerWaalsContact OG-CE1 3.32Å; S35-Y62 WeakPolarHBondContact OG-CE1 3.16Å; S35-Y62 PolarHBondContact OG-OH 3.04Å |
| 36 | S | 88.5 | Confident | 89.7 | Confident | 7 Ų | 7 | 19.7 Ų | 19.7 | 5% | 0.049 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -60 | -26.5 | 169.8 | 54.2 | 0 | 0 | 0 | 0 | 114.3 | Q32 G34 Y62 Q63 | Q32-S36 VanDerWaalsContact O-CB 3.27Å; Q32-S36 WeakPolarHBondContact O-CB 3.42Å; Q32-S36 PolarHBondContact O-OG 3.07Å; G34-S36 PolarHBondContact O-N 3.44Å; S36-Y62 CarbonylContact O-C 3.41Å; S36-Y62 WeakPolarHBondContact O-CA 3.03Å; S36-Q63 PolarHBondContact O-N 3.14Å |
| 37 | K | 87.5 | Confident | 90 | Very high | 8 Ų | 8 | 20 Ų | 20 | 4% | 0.035 | 10% | 0.104 | C | C | . | . | G | 310 helix | trans | -85.8 | -9.6 | -179.4 | -63.7 | 174.7 | 175.8 | 175.4 | 0 | 113.3 | I14 G34 S35 Q39 L1000 | I14-K37 HydrophobicContact CD1-CB 4.35Å; I14-K37 HydrophobicContact CG1-CB 4.26Å; G34-K37 WeakPolarHBondContact O-CB 3.28Å; G34-K37 PolarHBondContact O-N 3.42Å; S35-K37 PolarHBondContact O-N 3.29Å; K37-Q39 PolarHBondContact O-N 3.07Å; K37-L1000 HydrophobicContact CD-CD1 4.36Å; K37-L1000 HydrophobicContact CD-CD2 3.57Å; K37-L1000 HydrophobicContact CD-CG 3.82Å; K37-L1000 PolarHBondContact NZ-O 3.43Å |
| 38 | L | 90.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | -66.7 | 129.7 | 174.4 | -63.4 | 172.6 | 0 | 0 | 0 | 110.4 | F9 L17 L20 S35 L41 S64 | F9-L38 HydrophobicContact CB-CD2 3.66Å; F9-L38 HydrophobicContact CB-CG 4.41Å; F9-L38 HydrophobicContact CD1-CD1 4.4Å; F9-L38 HydrophobicContact CD1-CD2 3.84Å; F9-L38 HydrophobicContact CD2-CD1 4.17Å; F9-L38 HydrophobicContact CD2-CD2 4.14Å; F9-L38 HydrophobicContact CD2-CG 4.1Å; F9-L38 HydrophobicContact CE1-CD1 4.34Å; F9-L38 HydrophobicContact CE2-CD1 4.08Å; F9-L38 HydrophobicContact CG-CD1 4.33Å; F9-L38 HydrophobicContact CG-CD2 3.61Å; F9-L38 HydrophobicContact CG-CG 4.1Å; F9-L38 HydrophobicContact CZ-CD1 4.18Å; L17-L38 HydrophobicContact CB-CD2 4.09Å; L17-L38 HydrophobicContact CD2-CD1 3.93Å; L17-L38 HydrophobicContact CD2-CD2 3.98Å; L20-L38 HydrophobicContact CD2-CD1 3.79Å; S35-L38 WeakPolarHBondContact O-CB 3.44Å; S35-L38 PolarHBondContact O-N 2.8Å; L38-L41 HydrophobicContact CB-CB 4.09Å; L38-L41 HydrophobicContact CD1-CB 4.37Å; L38-L41 HydrophobicContact CD1-CD1 4.39Å; L38-L41 HydrophobicContact CD1-CD2 4.02Å; L38-S64 WeakPolarHBondContact O-CA 3.2Å; L38-S64 WeakPolarHBondContact O-CB 3.37Å; L38-S64 PolarHBondContact O-N 3.43Å; L38-S64 PolarHBondContact O-OG 3.32Å | ||
| 39 | Q | 88.6 | Confident | 90.4 | Very high | 78 Ų | 78 | 17.5 Ų | 17.5 | 36% | 0.364 | 9% | 0.088 | S | C | . | . | S | Bend | trans | -100.2 | -14.9 | -174.8 | -66.5 | 178.4 | -8.7 | 0 | 0 | 114.3 | I14 K37 Q63 W67 | I14-Q39 HydrophobicContact CG2-CG 4.13Å; I14-Q39 WeakPolarHBondContact O-CB 3.45Å; I14-Q39 PolarHBondContact O-N 2.83Å; K37-Q39 PolarHBondContact O-N 3.07Å; Q39-Q63 HydrophobicContact CG-CB 4.07Å; Q39-W67 PolarHBondContact O-NE1 3.29Å |
| 40 | R | 89.1 | Confident | 90.4 | Very high | 108 Ų | 108 | 15.9 Ų | 15.9 | 41% | 0.408 | 8% | 0.076 | S | C | . | . | S | Bend | trans | -129.1 | 12.3 | -175.5 | -65.9 | -159.3 | 175.5 | 120.5 | -4.4 | 114.9 | T15 L17 R18 S42 W67 | T15-R40 VanDerWaalsContact O-CD 3.25Å; T15-R40 WeakPolarHBondContact O-CD 3.37Å; T15-R40 PolarHBondContact O-NH1 3.19Å; L17-R40 CarbonylContact O-C 3.58Å; R18-R40 WeakPolarHBondContact CA-O 3.49Å; R40-S42 PolarHBondContact O-N 3.03Å; R40-W67 HydrophobicContact CB-CE3 4.13Å; R40-W67 HydrophobicContact CB-CZ3 4.28Å; R40-W67 HydrophobicContact CG-CD2 4.43Å; R40-W67 HydrophobicContact CG-CE3 4.17Å; R40-W67 HydrophobicContact CG-CH2 4.07Å; R40-W67 HydrophobicContact CG-CZ2 4.3Å; R40-W67 HydrophobicContact CG-CZ3 3.99Å |
| 41 | L | 92.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.076 | C | C | . | . | trans | -61.8 | 116.6 | 177.4 | -177 | 67.7 | 0 | 0 | 0 | 110.1 | L17 L20 L38 T43 F44 W67 I68 | L17-L41 PolarHBondContact O-N 3Å; L20-L41 HydrophobicContact CB-CD1 3.5Å; L20-L41 VanDerWaalsContact CB-CD1 3.5Å; L20-L41 HydrophobicContact CD2-CD2 4.47Å; L38-L41 HydrophobicContact CB-CB 4.09Å; L38-L41 HydrophobicContact CD1-CB 4.37Å; L38-L41 HydrophobicContact CD1-CD1 4.39Å; L38-L41 HydrophobicContact CD1-CD2 4.02Å; L41-T43 WeakPolarHBondContact CD1-O 3.47Å; L41-F44 HydrophobicContact CD2-CB 3.86Å; L41-F44 HydrophobicContact CD2-CD1 4.17Å; L41-F44 HydrophobicContact CD2-CD2 4.05Å; L41-F44 HydrophobicContact CD2-CG 3.79Å; L41-F44 HydrophobicContact CG-CB 4.27Å; L41-W67 CarbonylContact O-C 3.58Å; L41-W67 VanDerWaalsContact O-C 3.25Å; L41-W67 WeakPolarHBondContact O-CB 3.46Å; L41-I68 HydrophobicContact CD2-CD1 4.33Å; L41-I68 HydrophobicContact CD2-CG1 4.37Å; L41-I68 HydrophobicContact CG-CG1 4.29Å; L41-I68 WeakPolarHBondContact O-CA 3.25Å; L41-I68 VanDerWaalsContact O-CG1 3.31Å; L41-I68 WeakPolarHBondContact O-CG1 3.22Å; L41-I68 PolarHBondContact O-N 2.59Å; L41-I68 VanDerWaalsContact O-N 3.16Å | ||
| 42 | S | 94.3 | Very high | 90.7 | Very high | 25 Ų | 25 | 19.4 Ų | 19.4 | 18% | 0.175 | 9% | 0.09 | C | C | . | . | trans | -107.4 | -32.5 | 176.2 | 58.5 | 0 | 0 | 0 | 0 | 112.8 | R18 R40 W67 T69 K70 | R18-S42 PolarHBondContact O-N 3.5Å; R18-S42 PolarHBondContact O-OG 3.41Å; R18-S42 VanDerWaalsContact O-OG 3.13Å; R40-S42 PolarHBondContact O-N 3.03Å; S42-W67 WeakPolarHBondContact CA-O 3.49Å; S42-T69 PolarHBondContact O-N 2.91Å; S42-T69 PolarHBondContact O-OG1 2.7Å; S42-K70 PolarHBondContact O-N 3.17Å | ||
| 43 | T | 96.3 | Very high | 91 | Very high | 16 Ų | 16 | 19.7 Ų | 19.7 | 10% | 0.098 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 106 | -179.1 | -55.6 | 0 | 0 | 0 | 0 | 109.4 | R18 E19 L20 L41 V45 K70 | R18-T43 PolarHBondContact O-N 2.69Å; E19-T43 CarbonylContact C-O 3.48Å; E19-T43 WeakPolarHBondContact CA-O 3.43Å; E19-T43 VanDerWaalsContact OE1-CB 3.28Å; E19-T43 WeakPolarHBondContact OE1-CB 3.41Å; E19-T43 PolarHBondContact OE1-OG1 3.01Å; L20-T43 PolarHBondContact N-O 3.16Å; L41-T43 WeakPolarHBondContact CD1-O 3.47Å; T43-V45 HydrophobicContact CG2-CG2 4.08Å; T43-K70 HydrophobicContact CG2-CB 4.35Å; T43-K70 HydrophobicContact CG2-CD 3.94Å; T43-K70 HydrophobicContact CG2-CG 4.14Å |
| 44 | F | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 116.8 | 179 | -168.1 | -161.1 | 0 | 0 | 0 | 110.4 | L20 I22 P31 L41 L46 F59 Y62 I68 K70 L71 D72 | L20-F44 HydrophobicContact CB-CD2 4.21Å; L20-F44 HydrophobicContact CD2-CD2 4.04Å; L20-F44 HydrophobicContact CD2-CE2 3.7Å; L20-F44 HydrophobicContact CG-CD2 4.14Å; L20-F44 HydrophobicContact CG-CE2 4.11Å; I22-F44 HydrophobicContact CD1-CE2 4.23Å; P31-F44 HydrophobicContact CG-CZ 4.2Å; L41-F44 HydrophobicContact CD2-CB 3.86Å; L41-F44 HydrophobicContact CD2-CD1 4.17Å; L41-F44 HydrophobicContact CD2-CD2 4.05Å; L41-F44 HydrophobicContact CD2-CG 3.79Å; L41-F44 HydrophobicContact CG-CB 4.27Å; F44-L46 HydrophobicContact CD1-CD1 4.33Å; F44-L46 HydrophobicContact CD2-CD2 4.04Å; F44-L46 HydrophobicContact CD2-CG 4.26Å; F44-L46 HydrophobicContact CE1-CD1 3.88Å; F44-L46 HydrophobicContact CE1-CD2 4.33Å; F44-L46 HydrophobicContact CE1-CG 4.3Å; F44-L46 HydrophobicContact CE2-CD1 4.41Å; F44-L46 HydrophobicContact CE2-CD2 3.39Å; F44-L46 HydrophobicContact CE2-CG 4Å; F44-L46 HydrophobicContact CZ-CD1 3.93Å; F44-L46 HydrophobicContact CZ-CD2 3.57Å; F44-L46 HydrophobicContact CZ-CG 4.03Å; F44-F59 HydrophobicContact CD1-CE1 4.03Å; F44-F59 AromaticContact CE1-CE1 3.93Å; F44-F59 HydrophobicContact CE1-CE1 3.93Å; F44-Y62 HydrophobicContact CD1-CE1 4.33Å; F44-Y62 AromaticContact CE1-CE1 3.64Å; F44-Y62 HydrophobicContact CE1-CE1 3.64Å; F44-Y62 AromaticContact CE1-CZ 3.73Å; F44-Y62 WeakPolarHBondContact CE1-OH 3.48Å; F44-Y62 HydrophobicContact CZ-CE1 4.15Å; F44-I68 HydrophobicContact CB-CG2 4.42Å; F44-I68 HydrophobicContact CD1-CD1 4.4Å; F44-K70 PolarHBondContact N-O 3.17Å; F44-L71 HydrophobicContact CB-CD1 4.35Å; F44-L71 HydrophobicContact CD1-CD1 4.14Å; F44-L71 HydrophobicContact CG-CD1 4.47Å; F44-L71 VanDerWaalsContact O-CA 3.28Å; F44-L71 WeakPolarHBondContact O-CA 3.38Å; F44-D72 PolarHBondContact O-N 2.93Å |
| 45 | V | 96.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.006 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 119.9 | -173.8 | 168.4 | 0 | 0 | 0 | 0 | 109.1 | L20 E21 I22 R23 T43 A47 D72 | L20-V45 PolarHBondContact O-N 3.29Å; E21-V45 HydrophobicContact CB-CB 4.32Å; E21-V45 HydrophobicContact CB-CG1 4.45Å; E21-V45 HydrophobicContact CG-CB 3.95Å; E21-V45 HydrophobicContact CG-CG1 4.23Å; E21-V45 HydrophobicContact CG-CG2 4.15Å; I22-V45 CarbonylContact C-O 3.58Å; I22-V45 WeakPolarHBondContact CA-O 3.47Å; I22-V45 WeakPolarHBondContact CB-O 3.4Å; I22-V45 PolarHBondContact N-O 2.68Å; R23-V45 HydrophobicContact CG-CG1 3.4Å; T43-V45 HydrophobicContact CG2-CG2 4.08Å; V45-A47 HydrophobicContact CG1-CB 4.13Å; V45-D72 HydrophobicContact CB-CB 4.19Å; V45-D72 HydrophobicContact CG1-CB 4.06Å; V45-D72 HydrophobicContact CG2-CB 3.86Å |
| 46 | L | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -121.3 | 23 | -177.6 | -60.4 | -179.6 | 0 | 0 | 0 | 110.5 | I22 L27 V30 F44 N49 I51 L71 D72 L73 N76 | I22-L46 HydrophobicContact CB-CD2 4.08Å; I22-L46 HydrophobicContact CD1-CD2 4.43Å; I22-L46 HydrophobicContact CG2-CD2 4.46Å; L27-L46 HydrophobicContact CD1-CD2 3.46Å; L27-L46 VanDerWaalsContact CD1-CD2 3.46Å; V30-L46 HydrophobicContact CG2-CD1 4.08Å; F44-L46 HydrophobicContact CD1-CD1 4.33Å; F44-L46 HydrophobicContact CD2-CD2 4.04Å; F44-L46 HydrophobicContact CD2-CG 4.26Å; F44-L46 HydrophobicContact CE1-CD1 3.88Å; F44-L46 HydrophobicContact CE1-CD2 4.33Å; F44-L46 HydrophobicContact CE1-CG 4.3Å; F44-L46 HydrophobicContact CE2-CD1 4.41Å; F44-L46 HydrophobicContact CE2-CD2 3.39Å; F44-L46 HydrophobicContact CE2-CG 4Å; F44-L46 HydrophobicContact CZ-CD1 3.93Å; F44-L46 HydrophobicContact CZ-CD2 3.57Å; F44-L46 HydrophobicContact CZ-CG 4.03Å; L46-N49 VanDerWaalsContact C-ND2 3.27Å; L46-N49 PolarHBondContact O-ND2 3.28Å; L46-I51 HydrophobicContact CB-CD1 4.27Å; L46-I51 HydrophobicContact CD1-CD1 3.99Å; L46-L71 HydrophobicContact CD1-CD1 4.41Å; L46-D72 CarbonylContact C-O 3.25Å; L46-D72 VanDerWaalsContact CA-O 3.29Å; L46-D72 WeakPolarHBondContact CA-O 3.23Å; L46-D72 PolarHBondContact N-O 2.75Å; L46-L73 HydrophobicContact CB-CD2 3.86Å; L46-L73 HydrophobicContact CB-CG 4.49Å; L46-L73 HydrophobicContact CD1-CD2 3.73Å; L46-L73 HydrophobicContact CG-CD2 4.41Å; L46-N76 PolarHBondContact O-ND2 3.28Å | ||
| 47 | A | 94.4 | Very high | 92.2 | Very high | 6 Ų | 6 | 26.2 Ų | 26.2 | 5% | 0.05 | 14% | 0.142 | C | C | . | . | trans | -70.9 | 141.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113 | R23 N24 V45 N49 D72 S74 | R23-A47 CarbonylContact C-O 3.57Å; R23-A47 WeakPolarHBondContact CA-O 3.37Å; R23-A47 HydrophobicContact CG-CB 4.31Å; N24-A47 PolarHBondContact N-O 2.96Å; V45-A47 HydrophobicContact CG1-CB 4.13Å; A47-N49 PolarHBondContact O-ND2 3.09Å; A47-D72 PolarHBondContact N-O 3.35Å; A47-S74 CarbonylContact C-O 3.23Å; A47-S74 VanDerWaalsContact CA-O 3.28Å; A47-S74 WeakPolarHBondContact CA-O 3.24Å; A47-S74 WeakPolarHBondContact CB-OG 3.41Å | ||
| 48 | N | 93.7 | Very high | 92.4 | Very high | 6 Ų | 6 | 26.1 Ų | 26.1 | 3% | 0.032 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 55.5 | 80.2 | -170.7 | -157.4 | 67.8 | 0 | 0 | 0 | 110.5 | N24 N25 S74 A75 F952 F953 P954 S1021 | N24-N48 CarbonylContact C-O 3.59Å; N24-N48 WeakPolarHBondContact CA-O 3.46Å; N24-N48 PolarHBondContact N-O 2.62Å; N25-N48 PolarHBondContact N-O 2.95Å; N48-S74 PolarHBondContact N-O 3.32Å; N48-A75 WeakPolarHBondContact CA-O 3.35Å; N48-A75 HydrophobicContact CB-CB 3.83Å; N48-A75 WeakPolarHBondContact OD1-CB 3.08Å; N48-F952 PolarHBondContact ND2-O 2.95Å; N48-F953 VanDerWaalsContact ND2-C 3.31Å; N48-F953 PolarHBondContact ND2-O 2.99Å; N48-P954 HydrophobicContact CB-CB 4.35Å; N48-P954 HydrophobicContact CB-CG 3.98Å; N48-P954 WeakPolarHBondContact ND2-CA 3.17Å; N48-P954 VanDerWaalsContact OD1-CA 3.27Å; N48-P954 WeakPolarHBondContact OD1-CA 3.4Å; N48-S1021 VanDerWaalsContact ND2-CB 3.26Å; N48-S1021 WeakPolarHBondContact ND2-CB 3.47Å; N48-S1021 PolarHBondContact O-OG 3.26Å |
| 49 | N | 91.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -140.6 | -166.1 | 177.7 | -83.4 | -99.7 | 0 | 0 | 0 | 110.1 | I22 N25 L26 L27 L46 A47 N76 S1021 | I22-N49 PolarHBondContact O-ND2 2.56Å; N25-N49 VanDerWaalsContact CA-OD1 3.28Å; N25-N49 WeakPolarHBondContact CA-OD1 3.49Å; N25-N49 WeakPolarHBondContact CB-OD1 3.32Å; N25-N49 PolarHBondContact N-ND2 2.94Å; N25-N49 WeakPolarHBondContact O-CA 3.45Å; N25-N49 PolarHBondContact O-OD1 3.37Å; L26-N49 PolarHBondContact N-OD1 2.91Å; L27-N49 HydrophobicContact CB-CB 4.22Å; L27-N49 WeakPolarHBondContact CB-OD1 3.35Å; L27-N49 WeakPolarHBondContact CD1-OD1 3.43Å; L27-N49 VanDerWaalsContact CG-OD1 3.27Å; L27-N49 WeakPolarHBondContact CG-OD1 3.11Å; L27-N49 PolarHBondContact N-OD1 3.23Å; L46-N49 VanDerWaalsContact C-ND2 3.27Å; L46-N49 PolarHBondContact O-ND2 3.28Å; A47-N49 PolarHBondContact O-ND2 3.09Å; N49-N76 WeakPolarHBondContact CA-OD1 3.31Å; N49-N76 WeakPolarHBondContact CB-OD1 3.48Å; N49-N76 CarbonylContact O-C 3.59Å; N49-N76 VanDerWaalsContact O-CA 3.23Å; N49-N76 WeakPolarHBondContact O-CA 3.29Å; N49-S1021 VanDerWaalsContact CA-OG 3.25Å; N49-S1021 WeakPolarHBondContact CA-OG 3.17Å; N49-S1021 PolarHBondContact N-OG 3.25Å |
| 50 | N | 92.3 | Very high | 92.4 | Very high | 5 Ų | 5 | 23.7 Ų | 23.7 | 3% | 0.027 | 14% | 0.136 | C | C | . | . | trans | -127.4 | 50.4 | 165 | -62.6 | -34.3 | 0 | 0 | 0 | 111.5 | L27 T28 R52 N76 R973 S1019 V1020 | L27-N50 CarbonylContact O-C 3.5Å; L27-N50 WeakPolarHBondContact O-CA 3.43Å; L27-N50 PolarHBondContact O-N 3.12Å; T28-N50 CarbonylContact C-O 3.53Å; T28-N50 VanDerWaalsContact CA-O 3.3Å; T28-N50 WeakPolarHBondContact CA-O 3.36Å; N50-R52 HydrophobicContact CB-CG 4.05Å; N50-R52 PolarHBondContact O-N 3.39Å; N50-N76 WeakPolarHBondContact CA-O 3.24Å; N50-R973 VanDerWaalsContact CB-CZ 3.42Å; N50-R973 VanDerWaalsContact CB-NH1 3.26Å; N50-R973 VanDerWaalsContact N-NH1 3.13Å; N50-R973 PolarHBondContact ND2-NE 3.11Å; N50-R973 PolarHBondContact ND2-NH1 3.06Å; N50-R973 VanDerWaalsContact ND2-NH1 3.16Å; N50-S1019 PolarHBondContact ND2-O 3.15Å; N50-S1019 PolarHBondContact ND2-OG 3.07Å; N50-S1019 WeakPolarHBondContact OD1-CB 2.98Å; N50-S1019 PolarHBondContact OD1-OG 3.14Å; N50-V1020 PolarHBondContact ND2-N 3.14Å; N50-V1020 PolarHBondContact ND2-O 2.81Å; N50-V1020 WeakPolarHBondContact OD1-CB 3.41Å; N50-V1020 PolarHBondContact OD1-N 2.79Å; N50-V1020 VanDerWaalsContact OD1-N 3.1Å; N50-V1020 PolarHBondContact OD1-O 3.42Å; N50-V1020 VanDerWaalsContact OD1-O 3.05Å | ||
| 51 | I | 92.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -71 | 72.3 | 164 | -56 | 169 | 0 | 0 | 0 | 105.2 | L27 V30 L46 I53 L54 L73 N76 M78 | L27-I51 HydrophobicContact CB-CD1 4.13Å; L27-I51 HydrophobicContact CB-CG1 3.98Å; L27-I51 PolarHBondContact O-N 3.19Å; V30-I51 HydrophobicContact CG2-CD1 4.09Å; L46-I51 HydrophobicContact CB-CD1 4.27Å; L46-I51 HydrophobicContact CD1-CD1 3.99Å; I51-I53 VanDerWaalsContact C-N 3.28Å; I51-I53 WeakPolarHBondContact CG2-O 3.47Å; I51-I53 PolarHBondContact O-N 3.36Å; I51-L54 HydrophobicContact CG2-CB 4.25Å; I51-L54 HydrophobicContact CG2-CD1 3.92Å; I51-L73 HydrophobicContact CD1-CD2 3.56Å; I51-N76 WeakPolarHBondContact CB-OD1 3.39Å; I51-N76 VanDerWaalsContact CG1-OD1 3.3Å; I51-N76 WeakPolarHBondContact CG1-OD1 3.36Å; I51-N76 PolarHBondContact N-OD1 2.77Å; I51-M78 WeakPolarHBondContact O-CG 3.34Å | ||
| 52 | R | 92.5 | Very high | 92.2 | Very high | 74 Ų | 74 | 22.8 Ų | 22.8 | 28% | 0.279 | 14% | 0.138 | S | C | . | . | trans | -70 | -32 | -174.2 | -60.6 | -166.4 | -167.7 | 151.2 | 10.3 | 111.4 | N50 M78 E79 R80 S1019 | N50-R52 HydrophobicContact CB-CG 4.05Å; N50-R52 PolarHBondContact O-N 3.39Å; R52-M78 CarbonylContact O-C 3.27Å; R52-M78 WeakPolarHBondContact O-CA 3.34Å; R52-E79 WeakPolarHBondContact CD-OE1 3.43Å; R52-E79 PolarHBondContact O-N 3.04Å; R52-R80 PolarHBondContact O-N 3.33Å; R52-R80 VanDerWaalsContact O-N 3.13Å; R52-S1019 PolarHBondContact NE-OG 3.01Å; R52-S1019 VanDerWaalsContact NH2-N 3.11Å; R52-S1019 PolarHBondContact NH2-O 3.44Å; R52-S1019 PolarHBondContact NH2-OG 3Å | ||
| 53 | I | 92.1 | Very high | 92 | Very high | 75 Ų | 75 | 26 Ų | 26 | 39% | 0.385 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 134 | 171 | -57.4 | 177.8 | 0 | 0 | 0 | 105.5 | I51 P55 R80 | I51-I53 VanDerWaalsContact C-N 3.28Å; I51-I53 WeakPolarHBondContact CG2-O 3.47Å; I51-I53 PolarHBondContact O-N 3.36Å; I53-P55 HydrophobicContact CG2-CG 4.47Å; I53-P55 WeakPolarHBondContact O-CD 3.45Å; I53-R80 VanDerWaalsContact CA-O 3.3Å; I53-R80 WeakPolarHBondContact CA-O 3.05Å; I53-R80 HydrophobicContact CG1-CB 4.3Å; I53-R80 HydrophobicContact CG2-CB 4.43Å |
| 54 | L | 94.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 97.6 | 169.4 | -176.5 | 65.1 | 0 | 0 | 0 | 108.6 | V30 I51 S58 F59 L73 R80 I81 D82 A85 F86 | V30-L54 HydrophobicContact CB-CD1 4.38Å; V30-L54 HydrophobicContact CG2-CD1 3.35Å; I51-L54 HydrophobicContact CG2-CB 4.25Å; I51-L54 HydrophobicContact CG2-CD1 3.92Å; L54-S58 WeakPolarHBondContact CD1-OG 3.47Å; L54-F59 HydrophobicContact CD1-CE2 4.29Å; L54-L73 HydrophobicContact CD2-CD1 4.11Å; L54-R80 PolarHBondContact N-O 3.41Å; L54-R80 VanDerWaalsContact N-O 3.08Å; L54-I81 HydrophobicContact CB-CB 4.39Å; L54-I81 HydrophobicContact CB-CG1 4.02Å; L54-I81 HydrophobicContact CB-CG2 4.24Å; L54-I81 HydrophobicContact CD2-CG1 4.43Å; L54-I81 HydrophobicContact CD2-CG2 4.06Å; L54-D82 WeakPolarHBondContact O-CB 3.25Å; L54-D82 PolarHBondContact O-N 3.41Å; L54-A85 HydrophobicContact CD2-CB 3.79Å; L54-A85 HydrophobicContact CG-CB 3.76Å; L54-F86 HydrophobicContact CD2-CD1 4.28Å; L54-F86 HydrophobicContact CD2-CE1 3.51Å; L54-F86 HydrophobicContact CD2-CE2 4.22Å; L54-F86 HydrophobicContact CD2-CZ 3.48Å; L54-F86 VanDerWaalsContact CD2-CZ 3.48Å |
| 55 | P | 92 | Very high | 91.5 | Very high | 55 Ų | 55 | 31 Ų | 31 | 36% | 0.357 | 17% | 0.167 | S | C | . | . | trans | -65.9 | 160.5 | -174.1 | -23.3 | 34.9 | 0 | 0 | 0 | 114 | I53 S58 D82 A85 | I53-P55 HydrophobicContact CG2-CG 4.47Å; I53-P55 WeakPolarHBondContact O-CD 3.45Å; P55-S58 WeakPolarHBondContact CD-OG 3.2Å; P55-S58 WeakPolarHBondContact O-CB 3.31Å; P55-S58 PolarHBondContact O-N 2.92Å; P55-S58 PolarHBondContact O-OG 3Å; P55-D82 WeakPolarHBondContact CA-OD2 3.31Å; P55-A85 WeakPolarHBondContact O-CA 3.46Å | ||
| 56 | A | 89.4 | Confident | 91.1 | Very high | 55 Ų | 55 | 34.1 Ų | 34.1 | 46% | 0.455 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 143.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S58 D82 D84 | A56-S58 PolarHBondContact O-N 2.75Å; A56-D82 HydrophobicContact CB-CB 4.32Å; A56-D84 HydrophobicContact CB-CB 3.95Å |
| 57 | A | 88.2 | Confident | 90.8 | Very high | 38 Ų | 38 | 39.8 Ų | 39.8 | 31% | 0.314 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 19.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | F59 A60 D84 L87 | A57-F59 PolarHBondContact O-N 3.21Å; A57-A60 HydrophobicContact CB-CB 3.89Å; A57-A60 WeakPolarHBondContact O-CB 3.41Å; A57-A60 PolarHBondContact O-N 2.8Å; A57-D84 PolarHBondContact N-O 3.3Å; A57-L87 HydrophobicContact CB-CD2 4.14Å |
| 58 | S | 90.6 | Very high | 90.8 | Very high | 7 Ų | 7 | 39.5 Ų | 39.5 | 5% | 0.049 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -18.6 | -178.4 | -77.2 | 0 | 0 | 0 | 0 | 116.3 | V30 Q32 L54 P55 A56 A85 | V30-S58 WeakPolarHBondContact CG1-O 3.45Å; Q32-S58 PolarHBondContact NE2-O 3.22Å; L54-S58 WeakPolarHBondContact CD1-OG 3.47Å; P55-S58 WeakPolarHBondContact CD-OG 3.2Å; P55-S58 WeakPolarHBondContact O-CB 3.31Å; P55-S58 PolarHBondContact O-N 2.92Å; P55-S58 PolarHBondContact O-OG 3Å; A56-S58 PolarHBondContact O-N 2.75Å; S58-A85 PolarHBondContact N-O 2.9Å |
| 59 | F | 91.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | 3.2 | 177.6 | -62 | -89.6 | 0 | 0 | 0 | 114.2 | V30 F44 L54 A57 I61 Y62 L71 F86 L89 | V30-F59 HydrophobicContact CB-CZ 4.36Å; V30-F59 HydrophobicContact CG1-CD1 3.96Å; V30-F59 HydrophobicContact CG1-CE1 3.59Å; V30-F59 HydrophobicContact CG1-CE2 4.48Å; V30-F59 HydrophobicContact CG1-CZ 3.88Å; V30-F59 HydrophobicContact CG2-CE1 4.15Å; V30-F59 HydrophobicContact CG2-CE2 3.98Å; V30-F59 HydrophobicContact CG2-CZ 3.57Å; F44-F59 HydrophobicContact CD1-CE1 4.03Å; F44-F59 AromaticContact CE1-CE1 3.93Å; F44-F59 HydrophobicContact CE1-CE1 3.93Å; L54-F59 HydrophobicContact CD1-CE2 4.29Å; A57-F59 PolarHBondContact O-N 3.21Å; F59-I61 PolarHBondContact O-N 2.96Å; F59-I61 VanDerWaalsContact O-N 3.15Å; F59-Y62 HydrophobicContact CB-CD2 4.16Å; F59-Y62 HydrophobicContact CD1-CD2 4.13Å; F59-Y62 AromaticContact CD1-CE2 3.91Å; F59-Y62 HydrophobicContact CD1-CE2 3.91Å; F59-Y62 WeakPolarHBondContact O-CB 2.92Å; F59-Y62 WeakPolarHBondContact O-CD2 3.37Å; F59-Y62 PolarHBondContact O-N 3.25Å; F59-L71 HydrophobicContact CE1-CD1 4.15Å; F59-L71 HydrophobicContact CE1-CD2 4.18Å; F59-L71 HydrophobicContact CE2-CD2 4.02Å; F59-L71 HydrophobicContact CZ-CD1 3.99Å; F59-L71 HydrophobicContact CZ-CD2 3.6Å; F59-L71 HydrophobicContact CZ-CG 4.46Å; F59-F86 HydrophobicContact CD2-CD1 4.21Å; F59-F86 AromaticContact CE2-CD1 3.81Å; F59-F86 HydrophobicContact CE2-CD1 3.81Å; F59-F86 HydrophobicContact CE2-CE1 4.13Å; F59-L89 HydrophobicContact CB-CD1 3.98Å; F59-L89 HydrophobicContact CB-CD2 3.74Å; F59-L89 HydrophobicContact CB-CG 3.69Å; F59-L89 HydrophobicContact CD1-CD1 3.91Å; F59-L89 HydrophobicContact CD1-CD2 4.19Å; F59-L89 HydrophobicContact CD1-CG 4.4Å; F59-L89 HydrophobicContact CD2-CD1 3.6Å; F59-L89 HydrophobicContact CD2-CG 4.22Å; F59-L89 HydrophobicContact CE1-CD1 4.25Å; F59-L89 HydrophobicContact CE2-CD1 3.98Å; F59-L89 HydrophobicContact CG-CD1 3.56Å; F59-L89 HydrophobicContact CG-CD2 4.04Å; F59-L89 HydrophobicContact CG-CG 3.88Å; F59-L89 HydrophobicContact CZ-CD1 4.28Å |
| 60 | A | 87 | Confident | 91.2 | Very high | 27 Ų | 27 | 44.7 Ų | 44.7 | 22% | 0.223 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -30.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A57 R65 L87 | A57-A60 HydrophobicContact CB-CB 3.89Å; A57-A60 WeakPolarHBondContact O-CB 3.41Å; A57-A60 PolarHBondContact O-N 2.8Å; A60-R65 PolarHBondContact O-NH1 3.13Å; A60-L87 HydrophobicContact CB-CD2 4.47Å |
| 61 | I | 87.2 | Confident | 91.4 | Very high | 88 Ų | 88 | 44.5 Ų | 44.5 | 45% | 0.451 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -5 | 179.7 | 62.4 | 168.4 | 0 | 0 | 0 | 114.6 | Q32 F59 Q63 | Q32-I61 HydrophobicContact CB-CD1 3.76Å; Q32-I61 HydrophobicContact CG-CD1 4.39Å; Q32-I61 VanDerWaalsContact O-CD1 3.26Å; Q32-I61 WeakPolarHBondContact O-CD1 3.43Å; Q32-I61 VanDerWaalsContact OE1-CD1 3.28Å; F59-I61 PolarHBondContact O-N 2.96Å; F59-I61 VanDerWaalsContact O-N 3.15Å; I61-Q63 PolarHBondContact O-N 3.06Å |
| 62 | Y | 91.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | trans | -72.5 | 122.3 | -177.4 | -78.8 | -110.7 | 0 | 0 | 0 | 111.7 | V30 P31 S35 S36 F44 F59 S64 R65 I68 | V30-Y62 HydrophobicContact CG1-CE2 3.94Å; V30-Y62 VanDerWaalsContact CG1-OH 3.28Å; V30-Y62 WeakPolarHBondContact CG1-OH 3.04Å; P31-Y62 PolarHBondContact O-OH 3Å; S35-Y62 VanDerWaalsContact C-CE1 3.49Å; S35-Y62 WeakPolarHBondContact O-CD1 3.18Å; S35-Y62 VanDerWaalsContact OG-CE1 3.32Å; S35-Y62 WeakPolarHBondContact OG-CE1 3.16Å; S35-Y62 PolarHBondContact OG-OH 3.04Å; S36-Y62 CarbonylContact O-C 3.41Å; S36-Y62 WeakPolarHBondContact O-CA 3.03Å; F44-Y62 HydrophobicContact CD1-CE1 4.33Å; F44-Y62 AromaticContact CE1-CE1 3.64Å; F44-Y62 HydrophobicContact CE1-CE1 3.64Å; F44-Y62 AromaticContact CE1-CZ 3.73Å; F44-Y62 WeakPolarHBondContact CE1-OH 3.48Å; F44-Y62 HydrophobicContact CZ-CE1 4.15Å; F59-Y62 HydrophobicContact CB-CD2 4.16Å; F59-Y62 HydrophobicContact CD1-CD2 4.13Å; F59-Y62 AromaticContact CD1-CE2 3.91Å; F59-Y62 HydrophobicContact CD1-CE2 3.91Å; F59-Y62 WeakPolarHBondContact O-CB 2.92Å; F59-Y62 WeakPolarHBondContact O-CD2 3.37Å; F59-Y62 PolarHBondContact O-N 3.25Å; Y62-S64 PolarHBondContact O-N 2.87Å; Y62-R65 VanDerWaalsContact O-CB 3.24Å; Y62-R65 WeakPolarHBondContact O-CB 3.07Å; Y62-R65 WeakPolarHBondContact O-CD 3.46Å; Y62-R65 WeakPolarHBondContact O-CG 3.26Å; Y62-R65 PolarHBondContact O-N 3.4Å; Y62-I68 HydrophobicContact CD1-CD1 4.26Å | ||
| 63 | Q | 89.1 | Confident | 91.8 | Very high | 93 Ų | 93 | 41.6 Ų | 41.6 | 44% | 0.435 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -29.2 | 172.2 | -62.6 | -176.5 | 31.6 | 0 | 0 | 111.6 | S36 Q39 I61 | S36-Q63 PolarHBondContact O-N 3.14Å; Q39-Q63 HydrophobicContact CG-CB 4.07Å; I61-Q63 PolarHBondContact O-N 3.06Å |
| 64 | S | 90.7 | Very high | 92 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 7.6 | 173.9 | 44.4 | 0 | 0 | 0 | 0 | 114.6 | L38 Y62 S66 W67 I68 | L38-S64 WeakPolarHBondContact O-CA 3.2Å; L38-S64 WeakPolarHBondContact O-CB 3.37Å; L38-S64 PolarHBondContact O-N 3.43Å; L38-S64 PolarHBondContact O-OG 3.32Å; Y62-S64 PolarHBondContact O-N 2.87Å; S64-S66 PolarHBondContact O-N 3.33Å; S64-S66 VanDerWaalsContact O-N 3.09Å; S64-W67 CarbonylContact O-C 3.28Å; S64-W67 WeakPolarHBondContact O-CA 3.41Å; S64-W67 WeakPolarHBondContact O-CB 3.45Å; S64-W67 PolarHBondContact O-N 3.44Å; S64-I68 WeakPolarHBondContact O-CG1 3.32Å; S64-I68 PolarHBondContact O-N 3.41Å |
| 65 | R | 89.7 | Confident | 92 | Very high | 119 Ų | 119 | 39.5 Ų | 39.5 | 45% | 0.449 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -33.5 | -177.7 | 70 | -169.1 | -173.7 | -152.2 | -2.2 | 113.6 | A60 Y62 G88 L89 | A60-R65 PolarHBondContact O-NH1 3.13Å; Y62-R65 VanDerWaalsContact O-CB 3.24Å; Y62-R65 WeakPolarHBondContact O-CB 3.07Å; Y62-R65 WeakPolarHBondContact O-CD 3.46Å; Y62-R65 WeakPolarHBondContact O-CG 3.26Å; Y62-R65 PolarHBondContact O-N 3.4Å; R65-G88 CarbonylContact C-O 3.19Å; R65-G88 VanDerWaalsContact CB-O 3.3Å; R65-G88 WeakPolarHBondContact CB-O 3.31Å; R65-G88 WeakPolarHBondContact CG-O 3.14Å; R65-L89 HydrophobicContact CB-CD2 4.07Å |
| 66 | S | 87.7 | Confident | 92 | Very high | 68 Ų | 68 | 36.9 Ų | 36.9 | 48% | 0.476 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -0.9 | 173.7 | 55.1 | 0 | 0 | 0 | 0 | 115.2 | S64 S91 | S64-S66 PolarHBondContact O-N 3.33Å; S64-S66 VanDerWaalsContact O-N 3.09Å; S66-S91 WeakPolarHBondContact O-CB 3.25Å; S66-S91 PolarHBondContact O-OG 2.93Å |
| 67 | W | 90.2 | Very high | 92.2 | Very high | 118 Ų | 118 | 34.8 Ų | 34.8 | 45% | 0.447 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -27.8 | 177.9 | -72.7 | 71.9 | 0 | 0 | 0 | 113.2 | Q39 R40 L41 S42 S64 T69 | Q39-W67 PolarHBondContact O-NE1 3.29Å; R40-W67 HydrophobicContact CB-CE3 4.13Å; R40-W67 HydrophobicContact CB-CZ3 4.28Å; R40-W67 HydrophobicContact CG-CD2 4.43Å; R40-W67 HydrophobicContact CG-CE3 4.17Å; R40-W67 HydrophobicContact CG-CH2 4.07Å; R40-W67 HydrophobicContact CG-CZ2 4.3Å; R40-W67 HydrophobicContact CG-CZ3 3.99Å; L41-W67 CarbonylContact O-C 3.58Å; L41-W67 VanDerWaalsContact O-C 3.25Å; L41-W67 WeakPolarHBondContact O-CB 3.46Å; S42-W67 WeakPolarHBondContact CA-O 3.49Å; S64-W67 CarbonylContact O-C 3.28Å; S64-W67 WeakPolarHBondContact O-CA 3.41Å; S64-W67 WeakPolarHBondContact O-CB 3.45Å; S64-W67 PolarHBondContact O-N 3.44Å; W67-T69 PolarHBondContact O-N 3.31Å |
| 68 | I | 94.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -63.9 | 109.9 | -179.2 | -63.3 | 164.5 | 0 | 0 | 0 | 109 | L41 F44 Y62 S64 L89 S91 V92 | L41-I68 HydrophobicContact CD2-CD1 4.33Å; L41-I68 HydrophobicContact CD2-CG1 4.37Å; L41-I68 HydrophobicContact CG-CG1 4.29Å; L41-I68 WeakPolarHBondContact O-CA 3.25Å; L41-I68 VanDerWaalsContact O-CG1 3.31Å; L41-I68 WeakPolarHBondContact O-CG1 3.22Å; L41-I68 PolarHBondContact O-N 2.59Å; L41-I68 VanDerWaalsContact O-N 3.16Å; F44-I68 HydrophobicContact CB-CG2 4.42Å; F44-I68 HydrophobicContact CD1-CD1 4.4Å; Y62-I68 HydrophobicContact CD1-CD1 4.26Å; S64-I68 WeakPolarHBondContact O-CG1 3.32Å; S64-I68 PolarHBondContact O-N 3.41Å; I68-L89 HydrophobicContact CB-CD2 4.34Å; I68-L89 HydrophobicContact CD1-CD2 3.89Å; I68-S91 CarbonylContact O-C 3.34Å; I68-S91 VanDerWaalsContact O-C 3.28Å; I68-V92 HydrophobicContact CG2-CG2 4.01Å; I68-V92 WeakPolarHBondContact O-CA 3.38Å; I68-V92 WeakPolarHBondContact O-CG2 3.27Å; I68-V92 PolarHBondContact O-N 2.97Å | ||
| 69 | T | 95.9 | Very high | 92.5 | Very high | 49 Ų | 49 | 36.3 Ų | 36.3 | 30% | 0.301 | 18% | 0.184 | S | C | . | . | trans | -99.9 | -19.4 | 175.1 | 49.7 | 0 | 0 | 0 | 0 | 112.6 | S42 W67 R93 E94 | S42-T69 PolarHBondContact O-N 2.91Å; S42-T69 PolarHBondContact O-OG1 2.7Å; W67-T69 PolarHBondContact O-N 3.31Å; T69-R93 WeakPolarHBondContact O-CA 3.46Å; T69-R93 PolarHBondContact O-N 2.89Å; T69-E94 PolarHBondContact O-N 2.81Å | ||
| 70 | K | 97.2 | Very high | 92.4 | Very high | 67 Ų | 67 | 41.8 Ų | 41.8 | 29% | 0.291 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 124.8 | -175.8 | 177.5 | 166.7 | -166.7 | 143.8 | 0 | 110.9 | S42 T43 F44 E94 | S42-K70 PolarHBondContact O-N 3.17Å; T43-K70 HydrophobicContact CG2-CB 4.35Å; T43-K70 HydrophobicContact CG2-CD 3.94Å; T43-K70 HydrophobicContact CG2-CG 4.14Å; F44-K70 PolarHBondContact N-O 3.17Å; K70-E94 CarbonylContact C-O 3.3Å; K70-E94 WeakPolarHBondContact CA-O 3.42Å; K70-E94 HydrophobicContact CB-CB 4.11Å; K70-E94 HydrophobicContact CD-CB 4.39Å; K70-E94 WeakPolarHBondContact CD-OE1 3.45Å; K70-E94 WeakPolarHBondContact CE-OE2 3.35Å; K70-E94 HydrophobicContact CG-CB 3.9Å; K70-E94 IonicContact NZ-OE1 2.64Å; K70-E94 PolarHBondContact NZ-OE1 3.11Å; K70-E94 VanDerWaalsContact NZ-OE1 3.08Å; K70-E94 IonicContact NZ-OE2 3.88Å; K70-E94 PolarHBondContact NZ-OE2 3.02Å |
| 71 | L | 96.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 116.9 | -178.5 | 179.6 | 56.9 | 0 | 0 | 0 | 110.7 | F44 L46 F59 L73 F86 L89 E94 L95 N96 | F44-L71 HydrophobicContact CB-CD1 4.35Å; F44-L71 HydrophobicContact CD1-CD1 4.14Å; F44-L71 HydrophobicContact CG-CD1 4.47Å; F44-L71 VanDerWaalsContact O-CA 3.28Å; F44-L71 WeakPolarHBondContact O-CA 3.38Å; L46-L71 HydrophobicContact CD1-CD1 4.41Å; F59-L71 HydrophobicContact CE1-CD1 4.15Å; F59-L71 HydrophobicContact CE1-CD2 4.18Å; F59-L71 HydrophobicContact CE2-CD2 4.02Å; F59-L71 HydrophobicContact CZ-CD1 3.99Å; F59-L71 HydrophobicContact CZ-CD2 3.6Å; F59-L71 HydrophobicContact CZ-CG 4.46Å; L71-L73 HydrophobicContact CD1-CD1 4.29Å; L71-L73 HydrophobicContact CD1-CG 4.2Å; L71-L73 HydrophobicContact CD2-CD1 3.94Å; L71-L73 HydrophobicContact CG-CD1 4Å; L71-L73 HydrophobicContact CG-CG 4.26Å; L71-F86 HydrophobicContact CD2-CD1 3.95Å; L71-F86 HydrophobicContact CD2-CE1 3.82Å; L71-L89 HydrophobicContact CD2-CD1 3.75Å; L71-E94 PolarHBondContact N-O 3.2Å; L71-L95 HydrophobicContact CB-CD1 3.95Å; L71-L95 HydrophobicContact CD2-CD1 3.89Å; L71-L95 HydrophobicContact CG-CD1 3.84Å; L71-L95 WeakPolarHBondContact O-CA 3.26Å; L71-N96 PolarHBondContact O-N 3.29Å |
| 72 | D | 97.1 | Very high | 93 | Very high | 13 Ų | 13 | 38.1 Ų | 38.1 | 7% | 0.07 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 96.7 | -178.8 | -174.7 | 2.4 | 0 | 0 | 0 | 111.4 | R23 F44 V45 L46 A47 S74 N96 | R23-D72 IonicContact CZ-OD2 3.52Å; R23-D72 IonicContact NH1-OD2 2.66Å; R23-D72 PolarHBondContact NH1-OD2 2.69Å; R23-D72 IonicContact NH2-OD2 2.65Å; R23-D72 PolarHBondContact NH2-OD2 3.11Å; F44-D72 PolarHBondContact O-N 2.93Å; V45-D72 HydrophobicContact CB-CB 4.19Å; V45-D72 HydrophobicContact CG1-CB 4.06Å; V45-D72 HydrophobicContact CG2-CB 3.86Å; L46-D72 CarbonylContact C-O 3.25Å; L46-D72 VanDerWaalsContact CA-O 3.29Å; L46-D72 WeakPolarHBondContact CA-O 3.23Å; L46-D72 PolarHBondContact N-O 2.75Å; A47-D72 PolarHBondContact N-O 3.35Å; D72-S74 WeakPolarHBondContact OD1-CB 3.44Å; D72-S74 PolarHBondContact OD1-N 2.93Å; D72-S74 PolarHBondContact OD1-OG 3.36Å; D72-N96 HydrophobicContact CB-CB 4.34Å; D72-N96 WeakPolarHBondContact OD1-CB 3.49Å; D72-N96 PolarHBondContact OD1-ND2 2.91Å |
| 73 | L | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -102.3 | 23.2 | 176.7 | -75.4 | 158.7 | 0 | 0 | 0 | 111.5 | L46 I51 L54 L71 N76 M78 F86 N96 L97 N100 | L46-L73 HydrophobicContact CB-CD2 3.86Å; L46-L73 HydrophobicContact CB-CG 4.49Å; L46-L73 HydrophobicContact CD1-CD2 3.73Å; L46-L73 HydrophobicContact CG-CD2 4.41Å; I51-L73 HydrophobicContact CD1-CD2 3.56Å; L54-L73 HydrophobicContact CD2-CD1 4.11Å; L71-L73 HydrophobicContact CD1-CD1 4.29Å; L71-L73 HydrophobicContact CD1-CG 4.2Å; L71-L73 HydrophobicContact CD2-CD1 3.94Å; L71-L73 HydrophobicContact CG-CD1 4Å; L71-L73 HydrophobicContact CG-CG 4.26Å; L73-N76 WeakPolarHBondContact O-CB 3.4Å; L73-N76 PolarHBondContact O-ND2 2.74Å; L73-M78 HydrophobicContact CB-CE 3.8Å; L73-M78 VanDerWaalsContact O-CE 3.23Å; L73-M78 WeakPolarHBondContact O-CE 3.26Å; L73-F86 HydrophobicContact CD1-CE1 3.84Å; L73-F86 HydrophobicContact CD1-CZ 4.33Å; L73-N96 CarbonylContact C-O 3.21Å; L73-N96 VanDerWaalsContact C-O 3.23Å; L73-N96 WeakPolarHBondContact CA-O 3.1Å; L73-N96 PolarHBondContact N-O 3.05Å; L73-L97 HydrophobicContact CB-CD2 4Å; L73-L97 HydrophobicContact CD1-CD2 4.12Å; L73-N100 PolarHBondContact O-ND2 3.18Å; L73-N100 VanDerWaalsContact O-ND2 3.11Å | ||
| 74 | S | 96.6 | Very high | 93.1 | Very high | 16 Ų | 16 | 41.4 Ų | 41.4 | 11% | 0.112 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 163.7 | -179.1 | 57.6 | 0 | 0 | 0 | 0 | 113 | A47 N48 D72 N76 N96 G98 | A47-S74 CarbonylContact C-O 3.23Å; A47-S74 VanDerWaalsContact CA-O 3.28Å; A47-S74 WeakPolarHBondContact CA-O 3.24Å; A47-S74 WeakPolarHBondContact CB-OG 3.41Å; N48-S74 PolarHBondContact N-O 3.32Å; D72-S74 WeakPolarHBondContact OD1-CB 3.44Å; D72-S74 PolarHBondContact OD1-N 2.93Å; D72-S74 PolarHBondContact OD1-OG 3.36Å; S74-N76 PolarHBondContact O-N 3.43Å; S74-N76 PolarHBondContact O-ND2 2.62Å; S74-N96 VanDerWaalsContact CB-ND2 3.31Å; S74-N96 WeakPolarHBondContact CB-ND2 3.42Å; S74-N96 PolarHBondContact N-O 3.27Å; S74-N96 VanDerWaalsContact N-O 3.08Å; S74-N96 PolarHBondContact OG-ND2 2.73Å; S74-G98 CarbonylContact C-O 2.94Å; S74-G98 WeakPolarHBondContact CA-O 2.8Å; S74-G98 WeakPolarHBondContact CB-O 3.42Å |
| 75 | A | 94.4 | Very high | 93.1 | Very high | 15 Ų | 15 | 41.4 Ų | 41.4 | 12% | 0.124 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 24.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | N48 G98 K99 | N48-A75 WeakPolarHBondContact CA-O 3.35Å; N48-A75 HydrophobicContact CB-CB 3.83Å; N48-A75 WeakPolarHBondContact OD1-CB 3.08Å; A75-G98 PolarHBondContact N-O 2.68Å; A75-K99 WeakPolarHBondContact CA-O 3.35Å; A75-K99 HydrophobicContact CB-CB 3.99Å |
| 76 | N | 91.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -87 | -5.5 | -175.4 | -97.6 | -93.1 | 0 | 0 | 0 | 115.1 | L46 N49 N50 I51 L73 S74 M78 N100 | L46-N76 PolarHBondContact O-ND2 3.28Å; N49-N76 WeakPolarHBondContact CA-OD1 3.31Å; N49-N76 WeakPolarHBondContact CB-OD1 3.48Å; N49-N76 CarbonylContact O-C 3.59Å; N49-N76 VanDerWaalsContact O-CA 3.23Å; N49-N76 WeakPolarHBondContact O-CA 3.29Å; N50-N76 WeakPolarHBondContact CA-O 3.24Å; I51-N76 WeakPolarHBondContact CB-OD1 3.39Å; I51-N76 VanDerWaalsContact CG1-OD1 3.3Å; I51-N76 WeakPolarHBondContact CG1-OD1 3.36Å; I51-N76 PolarHBondContact N-OD1 2.77Å; L73-N76 WeakPolarHBondContact O-CB 3.4Å; L73-N76 PolarHBondContact O-ND2 2.74Å; S74-N76 PolarHBondContact O-N 3.43Å; S74-N76 PolarHBondContact O-ND2 2.62Å; N76-M78 HydrophobicContact CB-CE 4.28Å; N76-M78 HydrophobicContact CB-CG 4.13Å; N76-M78 PolarHBondContact O-N 3.45Å; N76-N100 WeakPolarHBondContact CA-OD1 3.3Å; N76-N100 WeakPolarHBondContact CB-OD1 3.25Å; N76-N100 PolarHBondContact N-OD1 2.85Å |
| 77 | G | 92.6 | Very high | 93.3 | Very high | 11 Ų | 11 | 35.3 Ų | 35.3 | 11% | 0.113 | 17% | 0.173 | C | C | . | . | trans | 60.3 | 20.7 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E79 N100 N101 | G77-E79 PolarHBondContact O-N 3.16Å; G77-E79 VanDerWaalsContact O-N 3.12Å; G77-N100 PolarHBondContact N-OD1 3.24Å; G77-N101 WeakPolarHBondContact CA-ND2 3.4Å; G77-N101 PolarHBondContact O-ND2 2.93Å | ||
| 78 | M | 94 | Very high | 93 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -48.8 | 115.8 | -179.3 | -86.8 | 179.2 | -65.6 | 0 | 0 | 111.6 | I51 R52 L73 N76 I81 L97 N100 N101 L102 | I51-M78 WeakPolarHBondContact O-CG 3.34Å; R52-M78 CarbonylContact O-C 3.27Å; R52-M78 WeakPolarHBondContact O-CA 3.34Å; L73-M78 HydrophobicContact CB-CE 3.8Å; L73-M78 VanDerWaalsContact O-CE 3.23Å; L73-M78 WeakPolarHBondContact O-CE 3.26Å; N76-M78 HydrophobicContact CB-CE 4.28Å; N76-M78 HydrophobicContact CB-CG 4.13Å; N76-M78 PolarHBondContact O-N 3.45Å; M78-I81 HydrophobicContact SD-CD1 3.73Å; M78-I81 HydrophobicContact SD-CG1 3.81Å; M78-L97 HydrophobicContact CE-CB 4.28Å; M78-L97 HydrophobicContact CE-CD2 3.6Å; M78-L97 HydrophobicContact SD-CD2 4.3Å; M78-N100 HydrophobicContact CB-CB 3.93Å; M78-N100 HydrophobicContact CE-CB 4.41Å; M78-N100 VanDerWaalsContact CE-CG 3.49Å; M78-N100 WeakPolarHBondContact CE-ND2 3.23Å; M78-N100 PolarHBondContact N-OD1 2.74Å; M78-N101 CarbonylContact O-C 3.58Å; M78-N101 WeakPolarHBondContact O-CA 3.35Å; M78-N101 WeakPolarHBondContact O-CB 3.47Å; M78-N101 PolarHBondContact O-N 2.96Å; M78-L102 HydrophobicContact CB-CD2 3.95Å; M78-L102 HydrophobicContact CB-CG 4.31Å; M78-L102 PolarHBondContact O-N 2.86Å | ||
| 79 | E | 90.9 | Very high | 92.9 | Very high | 77 Ų | 77 | 30.3 Ų | 30.3 | 36% | 0.36 | 16% | 0.158 | S | C | . | . | trans | -94.4 | -34.5 | 173.7 | -68.9 | 162.3 | -136.8 | 0 | 0 | 110.6 | R52 G77 N101 | R52-E79 WeakPolarHBondContact CD-OE1 3.43Å; R52-E79 PolarHBondContact O-N 3.04Å; G77-E79 PolarHBondContact O-N 3.16Å; G77-E79 VanDerWaalsContact O-N 3.12Å; E79-N101 HydrophobicContact CG-CB 3.93Å | ||
| 80 | R | 90.5 | Very high | 92.5 | Very high | 115 Ų | 115 | 33 Ų | 33 | 43% | 0.434 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 144.3 | -178.4 | -158 | -178.3 | 86.2 | -172.1 | 8.5 | 112.1 | R52 I53 L54 D82 | R52-R80 PolarHBondContact O-N 3.33Å; R52-R80 VanDerWaalsContact O-N 3.13Å; I53-R80 VanDerWaalsContact CA-O 3.3Å; I53-R80 WeakPolarHBondContact CA-O 3.05Å; I53-R80 HydrophobicContact CG1-CB 4.3Å; I53-R80 HydrophobicContact CG2-CB 4.43Å; L54-R80 PolarHBondContact N-O 3.41Å; L54-R80 VanDerWaalsContact N-O 3.08Å; R80-D82 IonicContact CZ-OD1 2.64Å; R80-D82 IonicContact CZ-OD2 3.81Å; R80-D82 IonicContact NE-OD1 2.7Å; R80-D82 PolarHBondContact NE-OD1 2.84Å; R80-D82 IonicContact NH2-OD1 3.5Å; R80-D82 PolarHBondContact NH2-OD1 3.14Å; R80-D82 IonicContact NH2-OD2 2.81Å; R80-D82 PolarHBondContact NH2-OD2 3.28Å |
| 81 | I | 94.2 | Very high | 92.2 | Very high | 6 Ų | 6 | 31.6 Ų | 31.6 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 131.5 | 167.1 | -64.9 | 163.9 | 0 | 0 | 0 | 106.3 | L54 M78 A85 F86 L97 L102 P106 A109 | L54-I81 HydrophobicContact CB-CB 4.39Å; L54-I81 HydrophobicContact CB-CG1 4.02Å; L54-I81 HydrophobicContact CB-CG2 4.24Å; L54-I81 HydrophobicContact CD2-CG1 4.43Å; L54-I81 HydrophobicContact CD2-CG2 4.06Å; M78-I81 HydrophobicContact SD-CD1 3.73Å; M78-I81 HydrophobicContact SD-CG1 3.81Å; I81-A85 HydrophobicContact CG2-CB 3.68Å; I81-F86 HydrophobicContact CG2-CE2 4.11Å; I81-L97 HydrophobicContact CD1-CD1 4.14Å; I81-L97 HydrophobicContact CD1-CD2 4.27Å; I81-L102 HydrophobicContact CD1-CD1 3.99Å; I81-L102 HydrophobicContact CD1-CD2 3.85Å; I81-L102 HydrophobicContact CG1-CD2 4.14Å; I81-P106 HydrophobicContact CB-CB 4.02Å; I81-P106 HydrophobicContact CD1-CB 4.19Å; I81-P106 HydrophobicContact CD1-CG 3.91Å; I81-P106 HydrophobicContact CG2-CB 4.3Å; I81-A109 HydrophobicContact CG2-CB 3.54Å |
| 82 | D | 93.1 | Very high | 92.1 | Very high | 32 Ų | 32 | 31.6 Ų | 31.6 | 17% | 0.171 | 17% | 0.169 | C | C | . | . | trans | -89.2 | 152 | -175.1 | -65 | 9.2 | 0 | 0 | 0 | 111.6 | L54 P55 A56 R80 D84 A85 A109 | L54-D82 WeakPolarHBondContact O-CB 3.25Å; L54-D82 PolarHBondContact O-N 3.41Å; P55-D82 WeakPolarHBondContact CA-OD2 3.31Å; A56-D82 HydrophobicContact CB-CB 4.32Å; R80-D82 IonicContact CZ-OD1 2.64Å; R80-D82 IonicContact CZ-OD2 3.81Å; R80-D82 IonicContact NE-OD1 2.7Å; R80-D82 PolarHBondContact NE-OD1 2.84Å; R80-D82 IonicContact NH2-OD1 3.5Å; R80-D82 PolarHBondContact NH2-OD1 3.14Å; R80-D82 IonicContact NH2-OD2 2.81Å; R80-D82 PolarHBondContact NH2-OD2 3.28Å; D82-D84 PolarHBondContact O-N 3.29Å; D82-A85 WeakPolarHBondContact O-CB 3.3Å; D82-A85 PolarHBondContact O-N 3.28Å; D82-A109 VanDerWaalsContact O-CB 3.29Å; D82-A109 WeakPolarHBondContact O-CB 3.4Å | ||
| 83 | D | 90.4 | Very high | 92.1 | Very high | 107 Ų | 107 | 36.9 Ų | 36.9 | 57% | 0.572 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -24.4 | -166.5 | -54.4 | -21.1 | 0 | 0 | 0 | 115.8 | E108 A109 | D83-E108 HydrophobicContact CB-CB 3.69Å; D83-E108 HydrophobicContact CB-CG 4.48Å; D83-E108 CarbonylContact O-C 3.45Å; D83-A109 WeakPolarHBondContact O-CA 3.04Å; D83-A109 PolarHBondContact O-N 3.16Å |
| 84 | D | 90.4 | Very high | 92.1 | Very high | 56 Ų | 56 | 40.4 Ų | 40.4 | 30% | 0.299 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 18.6 | 178 | -85.6 | -5.9 | 0 | 0 | 0 | 113.3 | A56 A57 D82 F86 L87 R112 | A56-D84 HydrophobicContact CB-CB 3.95Å; A57-D84 PolarHBondContact N-O 3.3Å; D82-D84 PolarHBondContact O-N 3.29Å; D84-F86 PolarHBondContact O-N 3.34Å; D84-L87 VanDerWaalsContact O-CB 3.28Å; D84-L87 WeakPolarHBondContact O-CB 3.44Å; D84-L87 PolarHBondContact O-N 2.8Å; D84-R112 VanDerWaalsContact CG-NH2 3.27Å; D84-R112 IonicContact OD1-CZ 3.09Å; D84-R112 IonicContact OD1-NE 2.75Å; D84-R112 PolarHBondContact OD1-NE 3.17Å; D84-R112 IonicContact OD1-NH2 2.66Å; D84-R112 PolarHBondContact OD1-NH2 2.78Å; D84-R112 IonicContact OD2-NH2 3.19Å; D84-R112 PolarHBondContact OD2-NH2 3.23Å |
| 85 | A | 91.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -48.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L54 P55 S58 I81 D82 L87 A109 | L54-A85 HydrophobicContact CD2-CB 3.79Å; L54-A85 HydrophobicContact CG-CB 3.76Å; P55-A85 WeakPolarHBondContact O-CA 3.46Å; S58-A85 PolarHBondContact N-O 2.9Å; I81-A85 HydrophobicContact CG2-CB 3.68Å; D82-A85 WeakPolarHBondContact O-CB 3.3Å; D82-A85 PolarHBondContact O-N 3.28Å; A85-L87 VanDerWaalsContact C-N 3.33Å; A85-L87 PolarHBondContact O-N 3.26Å; A85-A109 HydrophobicContact CB-CB 4.31Å |
| 86 | F | 92.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 21.7 | -174.7 | -54.6 | -72 | 0 | 0 | 0 | 113.6 | L54 F59 L71 L73 I81 D84 G88 L89 L95 L97 A109 L110 L113 | L54-F86 HydrophobicContact CD2-CD1 4.28Å; L54-F86 HydrophobicContact CD2-CE1 3.51Å; L54-F86 HydrophobicContact CD2-CE2 4.22Å; L54-F86 HydrophobicContact CD2-CZ 3.48Å; L54-F86 VanDerWaalsContact CD2-CZ 3.48Å; F59-F86 HydrophobicContact CD2-CD1 4.21Å; F59-F86 AromaticContact CE2-CD1 3.81Å; F59-F86 HydrophobicContact CE2-CD1 3.81Å; F59-F86 HydrophobicContact CE2-CE1 4.13Å; L71-F86 HydrophobicContact CD2-CD1 3.95Å; L71-F86 HydrophobicContact CD2-CE1 3.82Å; L73-F86 HydrophobicContact CD1-CE1 3.84Å; L73-F86 HydrophobicContact CD1-CZ 4.33Å; I81-F86 HydrophobicContact CG2-CE2 4.11Å; D84-F86 PolarHBondContact O-N 3.34Å; F86-G88 PolarHBondContact O-N 3.2Å; F86-L89 HydrophobicContact CB-CD1 4.33Å; F86-L89 HydrophobicContact CD1-CD1 4.08Å; F86-L89 WeakPolarHBondContact O-CB 3.34Å; F86-L89 PolarHBondContact O-N 2.9Å; F86-L89 VanDerWaalsContact O-N 3.09Å; F86-L95 HydrophobicContact CE1-CD1 4.23Å; F86-L95 HydrophobicContact CE1-CD2 4.45Å; F86-L95 HydrophobicContact CE2-CD2 4.34Å; F86-L95 HydrophobicContact CZ-CD1 4.42Å; F86-L95 HydrophobicContact CZ-CD2 4.11Å; F86-L97 HydrophobicContact CZ-CD2 4.23Å; F86-A109 HydrophobicContact CD2-CB 4.2Å; F86-A109 WeakPolarHBondContact CD2-O 3.29Å; F86-A109 HydrophobicContact CE2-CB 4.25Å; F86-L110 HydrophobicContact CD2-CD2 4.49Å; F86-L110 HydrophobicContact CE2-CD2 4.04Å; F86-L113 HydrophobicContact CB-CD1 4.18Å; F86-L113 HydrophobicContact CB-CD2 3.83Å; F86-L113 HydrophobicContact CB-CG 4.14Å; F86-L113 HydrophobicContact CD2-CD1 4.13Å; F86-L113 HydrophobicContact CG-CD1 4.07Å |
| 87 | L | 88.9 | Confident | 92.5 | Very high | 57 Ų | 57 | 41.1 Ų | 41.1 | 30% | 0.298 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 120.1 | -176.6 | -178.8 | 64.7 | 0 | 0 | 0 | 112.9 | A57 A60 D84 A85 | A57-L87 HydrophobicContact CB-CD2 4.14Å; A60-L87 HydrophobicContact CB-CD2 4.47Å; D84-L87 VanDerWaalsContact O-CB 3.28Å; D84-L87 WeakPolarHBondContact O-CB 3.44Å; D84-L87 PolarHBondContact O-N 2.8Å; A85-L87 VanDerWaalsContact C-N 3.33Å; A85-L87 PolarHBondContact O-N 3.26Å |
| 88 | G | 83.6 | Confident | 92.6 | Very high | 13 Ų | 13 | 40.8 Ų | 40.8 | 13% | 0.134 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | 2.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115.3 | R65 F86 D90 | R65-G88 CarbonylContact C-O 3.19Å; R65-G88 VanDerWaalsContact CB-O 3.3Å; R65-G88 WeakPolarHBondContact CB-O 3.31Å; R65-G88 WeakPolarHBondContact CG-O 3.14Å; F86-G88 PolarHBondContact O-N 3.2Å; G88-D90 PolarHBondContact O-N 3.18Å; G88-D90 VanDerWaalsContact O-N 3.15Å |
| 89 | L | 92.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -82.9 | 40.6 | 172.7 | -68.4 | -168.7 | 0 | 0 | 0 | 112.9 | F59 R65 I68 L71 F86 S91 V92 L113 | F59-L89 HydrophobicContact CB-CD1 3.98Å; F59-L89 HydrophobicContact CB-CD2 3.74Å; F59-L89 HydrophobicContact CB-CG 3.69Å; F59-L89 HydrophobicContact CD1-CD1 3.91Å; F59-L89 HydrophobicContact CD1-CD2 4.19Å; F59-L89 HydrophobicContact CD1-CG 4.4Å; F59-L89 HydrophobicContact CD2-CD1 3.6Å; F59-L89 HydrophobicContact CD2-CG 4.22Å; F59-L89 HydrophobicContact CE1-CD1 4.25Å; F59-L89 HydrophobicContact CE2-CD1 3.98Å; F59-L89 HydrophobicContact CG-CD1 3.56Å; F59-L89 HydrophobicContact CG-CD2 4.04Å; F59-L89 HydrophobicContact CG-CG 3.88Å; F59-L89 HydrophobicContact CZ-CD1 4.28Å; R65-L89 HydrophobicContact CB-CD2 4.07Å; I68-L89 HydrophobicContact CB-CD2 4.34Å; I68-L89 HydrophobicContact CD1-CD2 3.89Å; L71-L89 HydrophobicContact CD2-CD1 3.75Å; F86-L89 HydrophobicContact CB-CD1 4.33Å; F86-L89 HydrophobicContact CD1-CD1 4.08Å; F86-L89 WeakPolarHBondContact O-CB 3.34Å; F86-L89 PolarHBondContact O-N 2.9Å; F86-L89 VanDerWaalsContact O-N 3.09Å; L89-S91 PolarHBondContact O-N 3.05Å; L89-V92 HydrophobicContact CB-CG2 3.8Å; L89-V92 HydrophobicContact CD1-CG2 4.08Å; L89-V92 HydrophobicContact CG-CG2 4.44Å; L89-V92 PolarHBondContact O-N 3.25Å; L89-L113 HydrophobicContact CB-CD2 3.89Å; L89-L113 WeakPolarHBondContact O-CD2 3.42Å | ||
| 90 | D | 87.7 | Confident | 92.9 | Very high | 105 Ų | 105 | 44.3 Ų | 44.3 | 56% | 0.561 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -12.6 | -167.7 | -44.3 | -33.1 | 0 | 0 | 0 | 113.8 | G88 A115 | G88-D90 PolarHBondContact O-N 3.18Å; G88-D90 VanDerWaalsContact O-N 3.15Å; D90-A115 VanDerWaalsContact O-CB 3.24Å; D90-A115 WeakPolarHBondContact O-CB 3.48Å |
| 91 | S | 91.3 | Very high | 93.1 | Very high | 38 Ų | 38 | 41.6 Ų | 41.6 | 27% | 0.266 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -3.3 | 179.8 | -66.6 | 0 | 0 | 0 | 0 | 115.1 | S66 I68 L89 R93 | S66-S91 WeakPolarHBondContact O-CB 3.25Å; S66-S91 PolarHBondContact O-OG 2.93Å; I68-S91 CarbonylContact O-C 3.34Å; I68-S91 VanDerWaalsContact O-C 3.28Å; L89-S91 PolarHBondContact O-N 3.05Å; S91-R93 PolarHBondContact O-N 2.7Å |
| 92 | V | 94.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | trans | -65.9 | 126.3 | -177.4 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | I68 L89 L95 L113 A115 L116 | I68-V92 HydrophobicContact CG2-CG2 4.01Å; I68-V92 WeakPolarHBondContact O-CA 3.38Å; I68-V92 WeakPolarHBondContact O-CG2 3.27Å; I68-V92 PolarHBondContact O-N 2.97Å; L89-V92 HydrophobicContact CB-CG2 3.8Å; L89-V92 HydrophobicContact CD1-CG2 4.08Å; L89-V92 HydrophobicContact CG-CG2 4.44Å; L89-V92 PolarHBondContact O-N 3.25Å; V92-L95 HydrophobicContact CG1-CB 4.28Å; V92-L113 HydrophobicContact CB-CD2 4.23Å; V92-A115 CarbonylContact O-C 3.54Å; V92-L116 HydrophobicContact CG1-CD1 3.94Å; V92-L116 VanDerWaalsContact O-CA 3.32Å; V92-L116 WeakPolarHBondContact O-CA 3.17Å; V92-L116 PolarHBondContact O-N 2.92Å | ||
| 93 | R | 95.6 | Very high | 93.1 | Very high | 125 Ų | 125 | 44.5 Ų | 44.5 | 47% | 0.472 | 23% | 0.225 | S | C | . | . | trans | -110 | -41.2 | 177.7 | -64 | 176.3 | -174.6 | -121.2 | 0.3 | 111.8 | T69 S91 L116 E117 D118 | T69-R93 WeakPolarHBondContact O-CA 3.46Å; T69-R93 PolarHBondContact O-N 2.89Å; S91-R93 PolarHBondContact O-N 2.7Å; R93-L116 WeakPolarHBondContact O-CD1 3.13Å; R93-E117 HydrophobicContact CB-CB 4.22Å; R93-E117 HydrophobicContact CB-CG 4.02Å; R93-E117 WeakPolarHBondContact CD-OE1 3.24Å; R93-E117 HydrophobicContact CG-CG 4.14Å; R93-E117 IonicContact CZ-OE1 2.7Å; R93-E117 IonicContact NE-OE1 3.3Å; R93-E117 IonicContact NH1-OE1 2.85Å; R93-E117 PolarHBondContact NH1-OE1 3.04Å; R93-E117 CarbonylContact O-C 3.59Å; R93-E117 WeakPolarHBondContact O-CA 3.48Å; R93-E117 PolarHBondContact O-N 2.99Å; R93-D118 PolarHBondContact O-N 3.05Å | ||
| 94 | E | 97.2 | Very high | 93.2 | Very high | 74 Ų | 74 | 45 Ų | 45 | 35% | 0.346 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 122.4 | 177.4 | -65.2 | -173.6 | -116.3 | 0 | 0 | 110.2 | T69 K70 L71 D118 | T69-E94 PolarHBondContact O-N 2.81Å; K70-E94 CarbonylContact C-O 3.3Å; K70-E94 WeakPolarHBondContact CA-O 3.42Å; K70-E94 HydrophobicContact CB-CB 4.11Å; K70-E94 HydrophobicContact CD-CB 4.39Å; K70-E94 WeakPolarHBondContact CD-OE1 3.45Å; K70-E94 WeakPolarHBondContact CE-OE2 3.35Å; K70-E94 HydrophobicContact CG-CB 3.9Å; K70-E94 IonicContact NZ-OE1 2.64Å; K70-E94 PolarHBondContact NZ-OE1 3.11Å; K70-E94 VanDerWaalsContact NZ-OE1 3.08Å; K70-E94 IonicContact NZ-OE2 3.88Å; K70-E94 PolarHBondContact NZ-OE2 3.02Å; L71-E94 PolarHBondContact N-O 3.2Å; E94-D118 WeakPolarHBondContact CA-O 3.47Å; E94-D118 HydrophobicContact CG-CB 4.33Å |
| 95 | L | 96.8 | Very high | 93.2 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 120.1 | 174.8 | -179.7 | 58.9 | 0 | 0 | 0 | 111.3 | L71 F86 V92 L97 L110 L113 L116 D118 L119 S120 | L71-L95 HydrophobicContact CB-CD1 3.95Å; L71-L95 HydrophobicContact CD2-CD1 3.89Å; L71-L95 HydrophobicContact CG-CD1 3.84Å; L71-L95 WeakPolarHBondContact O-CA 3.26Å; F86-L95 HydrophobicContact CE1-CD1 4.23Å; F86-L95 HydrophobicContact CE1-CD2 4.45Å; F86-L95 HydrophobicContact CE2-CD2 4.34Å; F86-L95 HydrophobicContact CZ-CD1 4.42Å; F86-L95 HydrophobicContact CZ-CD2 4.11Å; V92-L95 HydrophobicContact CG1-CB 4.28Å; L95-L97 HydrophobicContact CD1-CD2 4.06Å; L95-L97 HydrophobicContact CD1-CG 4.34Å; L95-L97 HydrophobicContact CD2-CD1 4.19Å; L95-L97 HydrophobicContact CD2-CG 4.33Å; L95-L97 HydrophobicContact CG-CD1 4.44Å; L95-L97 HydrophobicContact CG-CD2 4.31Å; L95-L97 HydrophobicContact CG-CG 4.06Å; L95-L110 HydrophobicContact CD2-CD2 3.39Å; L95-L113 HydrophobicContact CD2-CD1 3.67Å; L95-L116 HydrophobicContact CB-CD1 3.59Å; L95-D118 PolarHBondContact N-O 2.9Å; L95-L119 HydrophobicContact CB-CD1 4.19Å; L95-L119 HydrophobicContact CD2-CD1 4.11Å; L95-L119 HydrophobicContact CG-CD1 4.14Å; L95-L119 CarbonylContact O-C 3.03Å; L95-L119 WeakPolarHBondContact O-CA 3.34Å; L95-S120 PolarHBondContact O-N 3.03Å |
| 96 | N | 97.3 | Very high | 93.2 | Very high | 43 Ų | 43 | 42.8 Ų | 42.8 | 23% | 0.23 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 111.2 | 177.2 | -174.7 | 17.4 | 0 | 0 | 0 | 111.5 | L71 D72 L73 S74 G98 S120 | L71-N96 PolarHBondContact O-N 3.29Å; D72-N96 HydrophobicContact CB-CB 4.34Å; D72-N96 WeakPolarHBondContact OD1-CB 3.49Å; D72-N96 PolarHBondContact OD1-ND2 2.91Å; L73-N96 CarbonylContact C-O 3.21Å; L73-N96 VanDerWaalsContact C-O 3.23Å; L73-N96 WeakPolarHBondContact CA-O 3.1Å; L73-N96 PolarHBondContact N-O 3.05Å; S74-N96 VanDerWaalsContact CB-ND2 3.31Å; S74-N96 WeakPolarHBondContact CB-ND2 3.42Å; S74-N96 PolarHBondContact N-O 3.27Å; S74-N96 VanDerWaalsContact N-O 3.08Å; S74-N96 PolarHBondContact OG-ND2 2.73Å; N96-G98 PolarHBondContact OD1-N 3.47Å; N96-G98 VanDerWaalsContact OD1-N 3.11Å; N96-S120 WeakPolarHBondContact OD1-CB 3.1Å; N96-S120 PolarHBondContact OD1-OG 2.63Å |
| 97 | L | 96.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -112.4 | 16.7 | 175 | -55.2 | 174.4 | 0 | 0 | 0 | 111.3 | L73 M78 I81 F86 L95 N100 L102 P106 L110 L119 S120 L121 N124 | L73-L97 HydrophobicContact CB-CD2 4Å; L73-L97 HydrophobicContact CD1-CD2 4.12Å; M78-L97 HydrophobicContact CE-CB 4.28Å; M78-L97 HydrophobicContact CE-CD2 3.6Å; M78-L97 HydrophobicContact SD-CD2 4.3Å; I81-L97 HydrophobicContact CD1-CD1 4.14Å; I81-L97 HydrophobicContact CD1-CD2 4.27Å; F86-L97 HydrophobicContact CZ-CD2 4.23Å; L95-L97 HydrophobicContact CD1-CD2 4.06Å; L95-L97 HydrophobicContact CD1-CG 4.34Å; L95-L97 HydrophobicContact CD2-CD1 4.19Å; L95-L97 HydrophobicContact CD2-CG 4.33Å; L95-L97 HydrophobicContact CG-CD1 4.44Å; L95-L97 HydrophobicContact CG-CD2 4.31Å; L95-L97 HydrophobicContact CG-CG 4.06Å; L97-N100 VanDerWaalsContact C-ND2 3.26Å; L97-N100 PolarHBondContact O-ND2 3.23Å; L97-L102 HydrophobicContact CB-CD1 4.34Å; L97-P106 HydrophobicContact CD1-CG 4.32Å; L97-L110 HydrophobicContact CD1-CD2 4.23Å; L97-L119 HydrophobicContact CD1-CD1 4.41Å; L97-S120 CarbonylContact C-O 3.02Å; L97-S120 VanDerWaalsContact CA-O 3.28Å; L97-S120 WeakPolarHBondContact CA-O 3.33Å; L97-S120 WeakPolarHBondContact CB-O 3.17Å; L97-S120 PolarHBondContact N-O 2.99Å; L97-L121 HydrophobicContact CB-CD2 3.91Å; L97-L121 HydrophobicContact CD1-CD2 3.87Å; L97-N124 PolarHBondContact O-ND2 2.87Å | ||
| 98 | G | 95.5 | Very high | 93.1 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | trans | -72.4 | 162.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S74 A75 N96 N100 S120 A122 | S74-G98 CarbonylContact C-O 2.94Å; S74-G98 WeakPolarHBondContact CA-O 2.8Å; S74-G98 WeakPolarHBondContact CB-O 3.42Å; A75-G98 PolarHBondContact N-O 2.68Å; N96-G98 PolarHBondContact OD1-N 3.47Å; N96-G98 VanDerWaalsContact OD1-N 3.11Å; G98-N100 PolarHBondContact O-ND2 2.73Å; G98-N100 VanDerWaalsContact O-ND2 3.1Å; G98-S120 PolarHBondContact N-O 3.17Å; G98-A122 CarbonylContact C-O 3.11Å; G98-A122 VanDerWaalsContact C-O 3.29Å; G98-A122 WeakPolarHBondContact CA-O 3.46Å | ||
| 99 | K | 94.7 | Very high | 93.4 | Very high | 145 Ų | 145 | 45 Ų | 45 | 63% | 0.63 | 22% | 0.216 | S | C | * | . | S | Bend | trans | 60.1 | 38.6 | -177 | -63.1 | -175.1 | 176.4 | -172 | 0 | 113.7 | A75 A122 A123 | A75-K99 WeakPolarHBondContact CA-O 3.35Å; A75-K99 HydrophobicContact CB-CB 3.99Å; K99-A122 PolarHBondContact N-O 2.8Å; K99-A123 CarbonylContact C-O 2.85Å; K99-A123 WeakPolarHBondContact CA-O 3.21Å; K99-A123 HydrophobicContact CB-CB 4.35Å; K99-A123 HydrophobicContact CG-CB 3.73Å; K99-A123 PolarHBondContact N-O 2.92Å |
| 100 | N | 95.4 | Very high | 93.3 | Very high | 7 Ų | 7 | 45 Ų | 45 | 4% | 0.037 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -116.5 | -174.7 | -178.4 | -79.6 | -64.9 | 0 | 0 | 0 | 111.4 | L73 N76 G77 M78 L97 G98 L102 A123 N124 | L73-N100 PolarHBondContact O-ND2 3.18Å; L73-N100 VanDerWaalsContact O-ND2 3.11Å; N76-N100 WeakPolarHBondContact CA-OD1 3.3Å; N76-N100 WeakPolarHBondContact CB-OD1 3.25Å; N76-N100 PolarHBondContact N-OD1 2.85Å; G77-N100 PolarHBondContact N-OD1 3.24Å; M78-N100 HydrophobicContact CB-CB 3.93Å; M78-N100 HydrophobicContact CE-CB 4.41Å; M78-N100 VanDerWaalsContact CE-CG 3.49Å; M78-N100 WeakPolarHBondContact CE-ND2 3.23Å; M78-N100 PolarHBondContact N-OD1 2.74Å; L97-N100 VanDerWaalsContact C-ND2 3.26Å; L97-N100 PolarHBondContact O-ND2 3.23Å; G98-N100 PolarHBondContact O-ND2 2.73Å; G98-N100 VanDerWaalsContact O-ND2 3.1Å; N100-L102 HydrophobicContact CB-CG 4.33Å; N100-A123 PolarHBondContact N-O 3.46Å; N100-N124 VanDerWaalsContact CA-OD1 3.3Å; N100-N124 WeakPolarHBondContact CA-OD1 3.45Å; N100-N124 WeakPolarHBondContact CB-OD1 3.16Å; N100-N124 WeakPolarHBondContact O-CA 3.49Å; N100-N124 PolarHBondContact O-OD1 2.87Å |
| 101 | N | 95.4 | Very high | 93.2 | Very high | 57 Ų | 57 | 44.2 Ų | 44.2 | 31% | 0.305 | 21% | 0.209 | S | C | . | . | trans | -104 | 13.4 | -178.5 | -73.7 | -48.5 | 0 | 0 | 0 | 113.5 | G77 M78 E79 L103 N124 Q125 | G77-N101 WeakPolarHBondContact CA-ND2 3.4Å; G77-N101 PolarHBondContact O-ND2 2.93Å; M78-N101 CarbonylContact O-C 3.58Å; M78-N101 WeakPolarHBondContact O-CA 3.35Å; M78-N101 WeakPolarHBondContact O-CB 3.47Å; M78-N101 PolarHBondContact O-N 2.96Å; E79-N101 HydrophobicContact CG-CB 3.93Å; N101-L103 PolarHBondContact O-N 3.39Å; N101-N124 PolarHBondContact N-OD1 3.29Å; N101-Q125 PolarHBondContact OD1-NE2 3.07Å | ||
| 102 | L | 94 | Very high | 92.7 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | trans | -61.1 | 124.2 | -170.5 | -60.8 | 172 | 0 | 0 | 0 | 110.7 | M78 I81 L97 N100 L121 N124 Q125 I126 | M78-L102 HydrophobicContact CB-CD2 3.95Å; M78-L102 HydrophobicContact CB-CG 4.31Å; M78-L102 PolarHBondContact O-N 2.86Å; I81-L102 HydrophobicContact CD1-CD1 3.99Å; I81-L102 HydrophobicContact CD1-CD2 3.85Å; I81-L102 HydrophobicContact CG1-CD2 4.14Å; L97-L102 HydrophobicContact CB-CD1 4.34Å; N100-L102 HydrophobicContact CB-CG 4.33Å; L102-L121 HydrophobicContact CD1-CD2 3.89Å; L102-N124 HydrophobicContact CB-CB 4.4Å; L102-N124 VanDerWaalsContact CB-OD1 3.28Å; L102-N124 WeakPolarHBondContact CB-OD1 3.3Å; L102-N124 WeakPolarHBondContact CG-OD1 3.48Å; L102-N124 PolarHBondContact N-OD1 3.41Å; L102-Q125 CarbonylContact O-C 3.54Å; L102-Q125 VanDerWaalsContact O-CA 3.28Å; L102-Q125 WeakPolarHBondContact O-CA 3.43Å; L102-Q125 WeakPolarHBondContact O-CB 3.29Å; L102-Q125 PolarHBondContact O-N 2.78Å; L102-I126 HydrophobicContact CB-CG1 4.49Å; L102-I126 WeakPolarHBondContact O-CG1 3.47Å; L102-I126 PolarHBondContact O-N 3.4Å; L102-I126 VanDerWaalsContact O-N 3.12Å | ||
| 103 | L | 92.6 | Very high | 92.4 | Very high | 95 Ų | 95 | 47.6 Ų | 47.6 | 50% | 0.497 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -84.5 | -18.6 | 179.9 | -64.3 | 169.6 | 0 | 0 | 0 | 112.9 | N101 Q125 I126 | N101-L103 PolarHBondContact O-N 3.39Å; L103-Q125 HydrophobicContact CD2-CB 3.85Å; L103-I126 WeakPolarHBondContact O-CA 3.43Å |
| 104 | Y | 91.7 | Very high | 92 | Very high | 117 Ų | 117 | 46.6 Ų | 46.6 | 46% | 0.459 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -147.4 | 162.6 | -177.4 | 54 | -89.1 | 0 | 0 | 0 | 110.4 | ||
| 105 | V | 92.3 | Very high | 91.7 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.024 | 21% | 0.212 | C | C | . | . | trans | -70 | 125.3 | 170.8 | 179.2 | 0 | 0 | 0 | 0 | 108.7 | T107 L110 L121 I126 V129 L134 | V105-T107 PolarHBondContact O-N 2.74Å; V105-T107 PolarHBondContact O-OG1 2.67Å; V105-L110 HydrophobicContact CG1-CD1 4.26Å; V105-L121 HydrophobicContact CG1-CD1 4.36Å; V105-L121 HydrophobicContact CG2-CD1 4.48Å; V105-I126 HydrophobicContact CG2-CD1 4.28Å; V105-I126 HydrophobicContact CG2-CG2 4.22Å; V105-V129 HydrophobicContact CG2-CG1 4.41Å; V105-V129 HydrophobicContact CG2-CG2 4.32Å; V105-L134 HydrophobicContact CG1-CD2 3.87Å; V105-L134 HydrophobicContact CG1-CG 4.49Å | ||
| 106 | P | 91.7 | Very high | 91.6 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.032 | 21% | 0.212 | C | C | . | . | trans | -78.9 | 70.4 | -176.4 | 32.9 | -36.2 | 0 | 0 | 0 | 111.4 | I81 L97 E108 A109 L110 | I81-P106 HydrophobicContact CB-CB 4.02Å; I81-P106 HydrophobicContact CD1-CB 4.19Å; I81-P106 HydrophobicContact CD1-CG 3.91Å; I81-P106 HydrophobicContact CG2-CB 4.3Å; L97-P106 HydrophobicContact CD1-CG 4.32Å; P106-E108 PolarHBondContact O-N 3Å; P106-A109 HydrophobicContact CB-CB 4.4Å; P106-L110 HydrophobicContact CG-CD1 3.83Å; P106-L110 HydrophobicContact CG-CG 4.05Å; P106-L110 WeakPolarHBondContact O-CG 3.14Å; P106-L110 PolarHBondContact O-N 3.08Å; P106-L110 VanDerWaalsContact O-N 3.12Å | ||
| 107 | T | 89.5 | Confident | 91.5 | Very high | 27 Ų | 27 | 43.7 Ų | 43.7 | 17% | 0.166 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -49.3 | -61.7 | -171 | -56.4 | 0 | 0 | 0 | 0 | 113.7 | V105 A109 L110 Q111 S133 | V105-T107 PolarHBondContact O-N 2.74Å; V105-T107 PolarHBondContact O-OG1 2.67Å; T107-A109 PolarHBondContact O-N 3.37Å; T107-L110 PolarHBondContact O-N 3.33Å; T107-Q111 WeakPolarHBondContact O-CB 3.3Å; T107-Q111 PolarHBondContact O-N 2.89Å; T107-S133 WeakPolarHBondContact OG1-CA 3.47Å; T107-S133 WeakPolarHBondContact OG1-CB 3.37Å |
| 108 | E | 88.8 | Confident | 91.5 | Very high | 91 Ų | 91 | 46.2 Ų | 46.2 | 43% | 0.425 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.5 | -45.8 | -170.2 | -51.7 | -46.2 | 123.8 | 0 | 0 | 111.2 | D83 P106 L110 Q111 | D83-E108 HydrophobicContact CB-CB 3.69Å; D83-E108 HydrophobicContact CB-CG 4.48Å; D83-E108 CarbonylContact O-C 3.45Å; P106-E108 PolarHBondContact O-N 3Å; E108-L110 VanDerWaalsContact C-N 3.33Å; E108-L110 PolarHBondContact O-N 3.01Å; E108-Q111 VanDerWaalsContact O-CB 3.29Å; E108-Q111 WeakPolarHBondContact O-CB 3.06Å; E108-Q111 PolarHBondContact O-N 2.92Å; E108-Q111 VanDerWaalsContact O-N 3.12Å; E108-Q111 PolarHBondContact OE2-NE2 3.15Å |
| 109 | A | 89.7 | Confident | 91.6 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54.2 | -47.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I81 D82 D83 A85 F86 P106 T107 | I81-A109 HydrophobicContact CG2-CB 3.54Å; D82-A109 VanDerWaalsContact O-CB 3.29Å; D82-A109 WeakPolarHBondContact O-CB 3.4Å; D83-A109 WeakPolarHBondContact O-CA 3.04Å; D83-A109 PolarHBondContact O-N 3.16Å; A85-A109 HydrophobicContact CB-CB 4.31Å; F86-A109 HydrophobicContact CD2-CB 4.2Å; F86-A109 WeakPolarHBondContact CD2-O 3.29Å; F86-A109 HydrophobicContact CE2-CB 4.25Å; P106-A109 HydrophobicContact CB-CB 4.4Å; T107-A109 PolarHBondContact O-N 3.37Å |
| 110 | L | 90.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -71.5 | -32.2 | -180 | -67.9 | 172.8 | 0 | 0 | 0 | 112.1 | F86 L95 L97 V105 P106 T107 E108 R112 L113 L119 F136 | F86-L110 HydrophobicContact CD2-CD2 4.49Å; F86-L110 HydrophobicContact CE2-CD2 4.04Å; L95-L110 HydrophobicContact CD2-CD2 3.39Å; L97-L110 HydrophobicContact CD1-CD2 4.23Å; V105-L110 HydrophobicContact CG1-CD1 4.26Å; P106-L110 HydrophobicContact CG-CD1 3.83Å; P106-L110 HydrophobicContact CG-CG 4.05Å; P106-L110 WeakPolarHBondContact O-CG 3.14Å; P106-L110 PolarHBondContact O-N 3.08Å; P106-L110 VanDerWaalsContact O-N 3.12Å; T107-L110 PolarHBondContact O-N 3.33Å; E108-L110 VanDerWaalsContact C-N 3.33Å; E108-L110 PolarHBondContact O-N 3.01Å; L110-R112 PolarHBondContact O-N 2.71Å; L110-L113 HydrophobicContact CD2-CD1 4.21Å; L110-L113 WeakPolarHBondContact O-CB 3.26Å; L110-L113 PolarHBondContact O-N 3.35Å; L110-L119 HydrophobicContact CD1-CD2 4.16Å; L110-L119 HydrophobicContact CD2-CD1 4.43Å; L110-F136 VanDerWaalsContact C-CE1 3.49Å; L110-F136 VanDerWaalsContact C-CZ 3.5Å; L110-F136 HydrophobicContact CB-CE1 4.21Å; L110-F136 HydrophobicContact CB-CE2 4.01Å; L110-F136 HydrophobicContact CB-CZ 3.42Å; L110-F136 VanDerWaalsContact CB-CZ 3.42Å; L110-F136 WeakPolarHBondContact O-CE1 3.26Å; L110-F136 WeakPolarHBondContact O-CZ 3.47Å |
| 111 | Q | 85.2 | Confident | 91.7 | Very high | 87 Ų | 87 | 40.4 Ų | 40.4 | 41% | 0.407 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -51.2 | -30.4 | -169.4 | -161.1 | -173.4 | 99.4 | 0 | 0 | 114.1 | T107 E108 | T107-Q111 WeakPolarHBondContact O-CB 3.3Å; T107-Q111 PolarHBondContact O-N 2.89Å; E108-Q111 VanDerWaalsContact O-CB 3.29Å; E108-Q111 WeakPolarHBondContact O-CB 3.06Å; E108-Q111 PolarHBondContact O-N 2.92Å; E108-Q111 VanDerWaalsContact O-N 3.12Å; E108-Q111 PolarHBondContact OE2-NE2 3.15Å |
| 112 | R | 80.8 | Confident | 91.7 | Very high | 110 Ų | 110 | 38.6 Ų | 38.6 | 42% | 0.415 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -19.8 | 178.7 | -62.2 | 179.6 | 177.6 | -92.8 | 7.8 | 114.1 | D84 L110 L114 | D84-R112 VanDerWaalsContact CG-NH2 3.27Å; D84-R112 IonicContact OD1-CZ 3.09Å; D84-R112 IonicContact OD1-NE 2.75Å; D84-R112 PolarHBondContact OD1-NE 3.17Å; D84-R112 IonicContact OD1-NH2 2.66Å; D84-R112 PolarHBondContact OD1-NH2 2.78Å; D84-R112 IonicContact OD2-NH2 3.19Å; D84-R112 PolarHBondContact OD2-NH2 3.23Å; L110-R112 PolarHBondContact O-N 2.71Å; R112-L114 VanDerWaalsContact C-N 3.29Å; R112-L114 PolarHBondContact O-N 2.84Å |
| 113 | L | 90.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | trans | -81.9 | 63.4 | -174.8 | -60.3 | -179.7 | 0 | 0 | 0 | 112.6 | F86 L89 V92 L95 L110 A115 L116 | F86-L113 HydrophobicContact CB-CD1 4.18Å; F86-L113 HydrophobicContact CB-CD2 3.83Å; F86-L113 HydrophobicContact CB-CG 4.14Å; F86-L113 HydrophobicContact CD2-CD1 4.13Å; F86-L113 HydrophobicContact CG-CD1 4.07Å; L89-L113 HydrophobicContact CB-CD2 3.89Å; L89-L113 WeakPolarHBondContact O-CD2 3.42Å; V92-L113 HydrophobicContact CB-CD2 4.23Å; L95-L113 HydrophobicContact CD2-CD1 3.67Å; L110-L113 HydrophobicContact CD2-CD1 4.21Å; L110-L113 WeakPolarHBondContact O-CB 3.26Å; L110-L113 PolarHBondContact O-N 3.35Å; L113-A115 PolarHBondContact O-N 3.1Å; L113-A115 VanDerWaalsContact O-N 3.16Å; L113-L116 HydrophobicContact CB-CB 4.24Å; L113-L116 WeakPolarHBondContact O-CB 3.21Å; L113-L116 PolarHBondContact O-N 3.22Å; L113-L116 VanDerWaalsContact O-N 3.11Å | ||
| 114 | L | 86.7 | Confident | 91.9 | Very high | 103 Ų | 103 | 35.7 Ų | 35.7 | 54% | 0.539 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -19.1 | -174 | -60.9 | 178.7 | 0 | 0 | 0 | 114.7 | R112 | R112-L114 VanDerWaalsContact C-N 3.29Å; R112-L114 PolarHBondContact O-N 2.84Å |
| 115 | A | 91 | Very high | 92 | Very high | 25 Ų | 25 | 33.3 Ų | 33.3 | 21% | 0.207 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -0.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D90 V92 L113 E117 | D90-A115 VanDerWaalsContact O-CB 3.24Å; D90-A115 WeakPolarHBondContact O-CB 3.48Å; V92-A115 CarbonylContact O-C 3.54Å; L113-A115 PolarHBondContact O-N 3.1Å; L113-A115 VanDerWaalsContact O-N 3.16Å; A115-E117 PolarHBondContact O-N 2.9Å |
| 116 | L | 94 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -64.2 | 125 | -171.5 | -167.7 | 68.4 | 0 | 0 | 0 | 112 | V92 R93 L95 L113 L119 F136 Q138 L139 | V92-L116 HydrophobicContact CG1-CD1 3.94Å; V92-L116 VanDerWaalsContact O-CA 3.32Å; V92-L116 WeakPolarHBondContact O-CA 3.17Å; V92-L116 PolarHBondContact O-N 2.92Å; R93-L116 WeakPolarHBondContact O-CD1 3.13Å; L95-L116 HydrophobicContact CB-CD1 3.59Å; L113-L116 HydrophobicContact CB-CB 4.24Å; L113-L116 WeakPolarHBondContact O-CB 3.21Å; L113-L116 PolarHBondContact O-N 3.22Å; L113-L116 VanDerWaalsContact O-N 3.11Å; L116-L119 HydrophobicContact CD2-CB 4.09Å; L116-L119 HydrophobicContact CD2-CD1 4.36Å; L116-L119 HydrophobicContact CD2-CD2 4.27Å; L116-L119 HydrophobicContact CD2-CG 4.47Å; L116-F136 HydrophobicContact CD2-CD2 4.38Å; L116-F136 HydrophobicContact CD2-CG 4.31Å; L116-Q138 CarbonylContact O-C 3.02Å; L116-L139 HydrophobicContact CB-CD1 4.35Å; L116-L139 HydrophobicContact CD2-CD1 3.99Å; L116-L139 HydrophobicContact CG-CD1 3.76Å; L116-L139 VanDerWaalsContact O-CA 3.23Å; L116-L139 WeakPolarHBondContact O-CA 3.43Å; L116-L139 PolarHBondContact O-N 3.03Å; L116-L139 VanDerWaalsContact O-N 3.08Å | ||
| 117 | E | 96 | Very high | 92.2 | Very high | 34 Ų | 34 | 35.9 Ų | 35.9 | 16% | 0.159 | 19% | 0.192 | C | C | . | . | trans | -107.3 | -40.3 | -179.3 | -61.7 | -170.6 | -161.3 | 0 | 0 | 112 | R93 A115 L139 K140 S141 | R93-E117 HydrophobicContact CB-CB 4.22Å; R93-E117 HydrophobicContact CB-CG 4.02Å; R93-E117 WeakPolarHBondContact CD-OE1 3.24Å; R93-E117 HydrophobicContact CG-CG 4.14Å; R93-E117 IonicContact CZ-OE1 2.7Å; R93-E117 IonicContact NE-OE1 3.3Å; R93-E117 IonicContact NH1-OE1 2.85Å; R93-E117 PolarHBondContact NH1-OE1 3.04Å; R93-E117 CarbonylContact O-C 3.59Å; R93-E117 WeakPolarHBondContact O-CA 3.48Å; R93-E117 PolarHBondContact O-N 2.99Å; A115-E117 PolarHBondContact O-N 2.9Å; E117-L139 WeakPolarHBondContact O-CD1 2.95Å; E117-K140 HydrophobicContact CB-CD 4.31Å; E117-K140 VanDerWaalsContact CD-NZ 3.3Å; E117-K140 WeakPolarHBondContact O-CA 3.4Å; E117-K140 WeakPolarHBondContact O-CB 2.98Å; E117-K140 PolarHBondContact O-N 2.87Å; E117-K140 IonicContact OE1-NZ 3.75Å; E117-K140 WeakPolarHBondContact OE2-CE 3.15Å; E117-K140 IonicContact OE2-NZ 3.16Å; E117-K140 PolarHBondContact OE2-NZ 3.09Å; E117-S141 PolarHBondContact O-N 3.43Å | ||
| 118 | D | 96.7 | Very high | 92.2 | Very high | 54 Ų | 54 | 38.2 Ų | 38.2 | 29% | 0.289 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 126.5 | -179 | -60.4 | -45.7 | 0 | 0 | 0 | 111.2 | R93 E94 L95 S141 | R93-D118 PolarHBondContact O-N 3.05Å; E94-D118 WeakPolarHBondContact CA-O 3.47Å; E94-D118 HydrophobicContact CG-CB 4.33Å; L95-D118 PolarHBondContact N-O 2.9Å; D118-S141 WeakPolarHBondContact OD1-CB 3.46Å; D118-S141 PolarHBondContact OD1-N 2.96Å |
| 119 | L | 96.3 | Very high | 92.2 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 124.8 | -178.9 | 177.4 | 58.9 | 0 | 0 | 0 | 111.8 | L95 L97 L110 L116 L121 L134 L139 S141 I142 S143 | L95-L119 HydrophobicContact CB-CD1 4.19Å; L95-L119 HydrophobicContact CD2-CD1 4.11Å; L95-L119 HydrophobicContact CG-CD1 4.14Å; L95-L119 CarbonylContact O-C 3.03Å; L95-L119 WeakPolarHBondContact O-CA 3.34Å; L97-L119 HydrophobicContact CD1-CD1 4.41Å; L110-L119 HydrophobicContact CD1-CD2 4.16Å; L110-L119 HydrophobicContact CD2-CD1 4.43Å; L116-L119 HydrophobicContact CD2-CB 4.09Å; L116-L119 HydrophobicContact CD2-CD1 4.36Å; L116-L119 HydrophobicContact CD2-CD2 4.27Å; L116-L119 HydrophobicContact CD2-CG 4.47Å; L119-L121 HydrophobicContact CD1-CG 4.42Å; L119-L121 HydrophobicContact CD2-CD1 4.07Å; L119-L121 HydrophobicContact CG-CD1 4.27Å; L119-L121 HydrophobicContact CG-CG 4.4Å; L119-L134 HydrophobicContact CD2-CD2 4.08Å; L119-L139 HydrophobicContact CB-CD1 3.89Å; L119-S141 PolarHBondContact N-O 2.97Å; L119-I142 HydrophobicContact CB-CG1 4.28Å; L119-I142 HydrophobicContact CD2-CD1 4.05Å; L119-I142 HydrophobicContact CD2-CG1 4.32Å; L119-I142 HydrophobicContact CG-CG1 4.33Å; L119-I142 CarbonylContact O-C 3.53Å; L119-I142 VanDerWaalsContact O-CA 3.25Å; L119-I142 WeakPolarHBondContact O-CA 3.44Å; L119-S143 PolarHBondContact O-N 2.98Å |
| 120 | S | 96.9 | Very high | 92 | Very high | 29 Ų | 29 | 36.2 Ų | 36.2 | 20% | 0.203 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 123 | 173.6 | 162.8 | 0 | 0 | 0 | 0 | 111.3 | L95 N96 L97 G98 | L95-S120 PolarHBondContact O-N 3.03Å; N96-S120 WeakPolarHBondContact OD1-CB 3.1Å; N96-S120 PolarHBondContact OD1-OG 2.63Å; L97-S120 CarbonylContact C-O 3.02Å; L97-S120 VanDerWaalsContact CA-O 3.28Å; L97-S120 WeakPolarHBondContact CA-O 3.33Å; L97-S120 WeakPolarHBondContact CB-O 3.17Å; L97-S120 PolarHBondContact N-O 2.99Å; G98-S120 PolarHBondContact N-O 3.17Å |
| 121 | L | 96.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -124.6 | 14.9 | 173.8 | -74.9 | 162.1 | 0 | 0 | 0 | 110.8 | L97 L102 V105 L119 N124 I126 S143 L144 N147 | L97-L121 HydrophobicContact CB-CD2 3.91Å; L97-L121 HydrophobicContact CD1-CD2 3.87Å; L102-L121 HydrophobicContact CD1-CD2 3.89Å; V105-L121 HydrophobicContact CG1-CD1 4.36Å; V105-L121 HydrophobicContact CG2-CD1 4.48Å; L119-L121 HydrophobicContact CD1-CG 4.42Å; L119-L121 HydrophobicContact CD2-CD1 4.07Å; L119-L121 HydrophobicContact CG-CD1 4.27Å; L119-L121 HydrophobicContact CG-CG 4.4Å; L121-N124 WeakPolarHBondContact O-CB 3.12Å; L121-N124 PolarHBondContact O-ND2 3.17Å; L121-I126 HydrophobicContact CB-CD1 4.14Å; L121-I126 HydrophobicContact CD1-CD1 4.47Å; L121-I126 HydrophobicContact CD2-CD1 4.2Å; L121-S143 CarbonylContact C-O 3.5Å; L121-S143 WeakPolarHBondContact CA-O 2.99Å; L121-S143 PolarHBondContact N-O 3.1Å; L121-L144 HydrophobicContact CB-CD2 3.79Å; L121-L144 HydrophobicContact CD1-CD2 3.95Å; L121-N147 PolarHBondContact O-ND2 2.76Å | ||
| 122 | A | 95.3 | Very high | 91.3 | Very high | 18 Ų | 18 | 40.7 Ų | 40.7 | 15% | 0.149 | 22% | 0.222 | C | C | . | . | trans | -60.9 | 154.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113 | G98 K99 N124 S143 E145 | G98-A122 CarbonylContact C-O 3.11Å; G98-A122 VanDerWaalsContact C-O 3.29Å; G98-A122 WeakPolarHBondContact CA-O 3.46Å; K99-A122 PolarHBondContact N-O 2.8Å; A122-N124 PolarHBondContact O-ND2 2.84Å; A122-S143 PolarHBondContact N-O 2.86Å; A122-E145 CarbonylContact C-O 3.06Å; A122-E145 WeakPolarHBondContact CA-O 3.36Å; A122-E145 HydrophobicContact CB-CB 4.19Å | ||
| 123 | A | 95.1 | Very high | 91.4 | Very high | 30 Ų | 30 | 35.5 Ų | 35.5 | 25% | 0.248 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 52.9 | 55.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K99 N100 E145 V146 | K99-A123 CarbonylContact C-O 2.85Å; K99-A123 WeakPolarHBondContact CA-O 3.21Å; K99-A123 HydrophobicContact CB-CB 4.35Å; K99-A123 HydrophobicContact CG-CB 3.73Å; K99-A123 PolarHBondContact N-O 2.92Å; N100-A123 PolarHBondContact N-O 3.46Å; A123-E145 PolarHBondContact N-O 3.08Å; A123-V146 WeakPolarHBondContact CA-O 3.41Å; A123-V146 HydrophobicContact CB-CB 4.2Å; A123-V146 HydrophobicContact CB-CG1 4.35Å; A123-V146 PolarHBondContact N-O 3.47Å |
| 124 | N | 95.3 | Very high | 91.1 | Very high | 10 Ų | 10 | 35.5 Ų | 35.5 | 5% | 0.053 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -123.8 | -170 | 174.1 | -87.9 | -80.8 | 0 | 0 | 0 | 110 | L97 N100 N101 L102 L121 A122 I126 V146 N147 | L97-N124 PolarHBondContact O-ND2 2.87Å; N100-N124 VanDerWaalsContact CA-OD1 3.3Å; N100-N124 WeakPolarHBondContact CA-OD1 3.45Å; N100-N124 WeakPolarHBondContact CB-OD1 3.16Å; N100-N124 WeakPolarHBondContact O-CA 3.49Å; N100-N124 PolarHBondContact O-OD1 2.87Å; N101-N124 PolarHBondContact N-OD1 3.29Å; L102-N124 HydrophobicContact CB-CB 4.4Å; L102-N124 VanDerWaalsContact CB-OD1 3.28Å; L102-N124 WeakPolarHBondContact CB-OD1 3.3Å; L102-N124 WeakPolarHBondContact CG-OD1 3.48Å; L102-N124 PolarHBondContact N-OD1 3.41Å; L121-N124 WeakPolarHBondContact O-CB 3.12Å; L121-N124 PolarHBondContact O-ND2 3.17Å; A122-N124 PolarHBondContact O-ND2 2.84Å; N124-I126 HydrophobicContact CB-CD1 4.21Å; N124-I126 HydrophobicContact CB-CG1 4.07Å; N124-V146 PolarHBondContact N-O 2.64Å; N124-N147 WeakPolarHBondContact CA-OD1 3.24Å; N124-N147 WeakPolarHBondContact CB-OD1 3.33Å; N124-N147 PolarHBondContact O-OD1 2.75Å |
| 125 | Q | 94.9 | Very high | 91.1 | Very high | 66 Ų | 66 | 34.4 Ų | 34.4 | 31% | 0.308 | 20% | 0.198 | S | C | . | . | trans | -109.3 | 16 | -178.7 | -60.4 | -157.7 | 48.8 | 0 | 0 | 113.2 | N101 L102 L103 S127 N147 K148 | N101-Q125 PolarHBondContact OD1-NE2 3.07Å; L102-Q125 CarbonylContact O-C 3.54Å; L102-Q125 VanDerWaalsContact O-CA 3.28Å; L102-Q125 WeakPolarHBondContact O-CA 3.43Å; L102-Q125 WeakPolarHBondContact O-CB 3.29Å; L102-Q125 PolarHBondContact O-N 2.78Å; L103-Q125 HydrophobicContact CD2-CB 3.85Å; Q125-S127 PolarHBondContact O-N 3.41Å; Q125-N147 PolarHBondContact N-OD1 2.86Å; Q125-K148 WeakPolarHBondContact O-CD 3.42Å | ||
| 126 | I | 94.4 | Very high | 91 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -64.7 | 127.7 | -170.8 | -57.6 | 171.5 | 0 | 0 | 0 | 110.6 | L102 L103 V105 L121 N124 N128 L144 N147 K148 I149 | L102-I126 HydrophobicContact CB-CG1 4.49Å; L102-I126 WeakPolarHBondContact O-CG1 3.47Å; L102-I126 PolarHBondContact O-N 3.4Å; L102-I126 VanDerWaalsContact O-N 3.12Å; L103-I126 WeakPolarHBondContact O-CA 3.43Å; V105-I126 HydrophobicContact CG2-CD1 4.28Å; V105-I126 HydrophobicContact CG2-CG2 4.22Å; L121-I126 HydrophobicContact CB-CD1 4.14Å; L121-I126 HydrophobicContact CD1-CD1 4.47Å; L121-I126 HydrophobicContact CD2-CD1 4.2Å; N124-I126 HydrophobicContact CB-CD1 4.21Å; N124-I126 HydrophobicContact CB-CG1 4.07Å; I126-N128 VanDerWaalsContact CG2-O 3.26Å; I126-N128 WeakPolarHBondContact CG2-O 3.12Å; I126-L144 HydrophobicContact CD1-CD2 4.25Å; I126-N147 VanDerWaalsContact CB-OD1 3.27Å; I126-N147 WeakPolarHBondContact CB-OD1 3.47Å; I126-N147 WeakPolarHBondContact CG1-OD1 3.24Å; I126-N147 PolarHBondContact N-OD1 2.75Å; I126-K148 CarbonylContact O-C 3.32Å; I126-K148 VanDerWaalsContact O-C 3.28Å; I126-K148 VanDerWaalsContact O-CA 3.28Å; I126-K148 WeakPolarHBondContact O-CA 3.26Å; I126-K148 WeakPolarHBondContact O-CB 3.08Å; I126-K148 PolarHBondContact O-N 3.26Å; I126-I149 HydrophobicContact CB-CG1 4.49Å; I126-I149 HydrophobicContact CG2-CD1 4.16Å; I126-I149 HydrophobicContact CG2-CG1 4.22Å; I126-I149 VanDerWaalsContact O-CG1 3.3Å; I126-I149 WeakPolarHBondContact O-CG1 3.39Å; I126-I149 PolarHBondContact O-N 3.17Å | ||
| 127 | S | 92.4 | Very high | 90.6 | Very high | 63 Ų | 63 | 35.9 Ų | 35.9 | 44% | 0.441 | 21% | 0.205 | S | C | . | . | trans | -96.1 | -19 | 179.3 | 43.5 | 0 | 0 | 0 | 0 | 115.1 | Q125 I149 | Q125-S127 PolarHBondContact O-N 3.41Å; S127-I149 WeakPolarHBondContact O-CA 3.38Å | ||
| 128 | N | 89.9 | Confident | 90.3 | Very high | 76 Ų | 76 | 39 Ų | 39 | 41% | 0.406 | 22% | 0.22 | S | C | . | . | trans | -162.8 | 153.7 | -168.3 | 53.1 | -40.1 | 0 | 0 | 0 | 111.4 | I126 | I126-N128 VanDerWaalsContact CG2-O 3.26Å; I126-N128 WeakPolarHBondContact CG2-O 3.12Å | ||
| 129 | V | 90.1 | Very high | 90.2 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | trans | -121.1 | 96.3 | 173.7 | -173.8 | 0 | 0 | 0 | 0 | 107.5 | V105 S133 L134 L144 I149 I152 A156 F157 | V105-V129 HydrophobicContact CG2-CG1 4.41Å; V105-V129 HydrophobicContact CG2-CG2 4.32Å; V129-S133 WeakPolarHBondContact CG1-OG 3.25Å; V129-L134 HydrophobicContact CG1-CD1 3.9Å; V129-L144 HydrophobicContact CG2-CD1 4.13Å; V129-I149 HydrophobicContact CG2-CD1 3.84Å; V129-I152 HydrophobicContact CB-CG1 4.4Å; V129-I152 HydrophobicContact CB-CG2 4.49Å; V129-I152 HydrophobicContact CG2-CD1 4.19Å; V129-I152 HydrophobicContact CG2-CG1 4.25Å; V129-A156 HydrophobicContact CB-CB 4.45Å; V129-A156 HydrophobicContact CG1-CB 4.08Å; V129-A156 WeakPolarHBondContact O-CB 3.43Å; V129-F157 HydrophobicContact CG1-CE1 4.38Å | ||
| 130 | P | 84.6 | Confident | 90.1 | Very high | 48 Ų | 48 | 39.7 Ų | 39.7 | 31% | 0.312 | 22% | 0.22 | S | C | . | . | trans | -71.7 | 159.8 | -174.3 | 20.8 | -23.1 | 0 | 0 | 0 | 112.5 | S133 | P130-S133 WeakPolarHBondContact O-CB 3.34Å; P130-S133 PolarHBondContact O-N 2.71Å; P130-S133 VanDerWaalsContact O-N 3.13Å; P130-S133 PolarHBondContact O-OG 3.29Å | ||
| 131 | V | 84.3 | Confident | 90.1 | Very high | 45 Ų | 45 | 39.1 Ų | 39.1 | 27% | 0.273 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 140.2 | 174.7 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | S133 E153 N155 | V131-S133 PolarHBondContact O-N 3.28Å; V131-E153 HydrophobicContact CG2-CB 3.87Å; V131-E153 WeakPolarHBondContact CG2-OE2 3.39Å; V131-N155 HydrophobicContact CB-CB 4.48Å; V131-N155 HydrophobicContact CG1-CB 3.62Å; V131-N155 HydrophobicContact CG2-CB 4.01Å |
| 132 | H | 76.9 | Confident | 90.1 | Very high | 136 Ų | 136 | 39.1 Ų | 39.1 | 63% | 0.63 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65 | 3 | -172.6 | -50.8 | -61.8 | 0 | 0 | 0 | 116.8 | L134 | H132-L134 PolarHBondContact O-N 3.01Å; H132-L134 VanDerWaalsContact O-N 3.15Å |
| 133 | S | 82.2 | Confident | 90.1 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.014 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -64.3 | -18.2 | 178.4 | 59.7 | 0 | 0 | 0 | 0 | 115.5 | T107 V129 P130 V131 | T107-S133 WeakPolarHBondContact OG1-CA 3.47Å; T107-S133 WeakPolarHBondContact OG1-CB 3.37Å; V129-S133 WeakPolarHBondContact CG1-OG 3.25Å; P130-S133 WeakPolarHBondContact O-CB 3.34Å; P130-S133 PolarHBondContact O-N 2.71Å; P130-S133 VanDerWaalsContact O-N 3.13Å; P130-S133 PolarHBondContact O-OG 3.29Å; V131-S133 PolarHBondContact O-N 3.28Å |
| 134 | L | 84 | Confident | 90.2 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | trans | -130.7 | 103.9 | -177.4 | -61.8 | 169.2 | 0 | 0 | 0 | 109.1 | V105 L119 V129 H132 F136 I142 F157 G159 I160 | V105-L134 HydrophobicContact CG1-CD2 3.87Å; V105-L134 HydrophobicContact CG1-CG 4.49Å; L119-L134 HydrophobicContact CD2-CD2 4.08Å; V129-L134 HydrophobicContact CG1-CD1 3.9Å; H132-L134 PolarHBondContact O-N 3.01Å; H132-L134 VanDerWaalsContact O-N 3.15Å; L134-F136 HydrophobicContact CB-CD2 4.34Å; L134-F136 HydrophobicContact CB-CE2 4.28Å; L134-F136 HydrophobicContact CD2-CD2 4.3Å; L134-F136 HydrophobicContact CD2-CE2 3.88Å; L134-I142 HydrophobicContact CD1-CD1 3.52Å; L134-I142 HydrophobicContact CD2-CD1 3.96Å; L134-I142 HydrophobicContact CG-CD1 4.4Å; L134-F157 HydrophobicContact CD1-CD1 3.82Å; L134-F157 HydrophobicContact CD1-CE1 3.81Å; L134-G159 CarbonylContact O-C 3.24Å; L134-G159 VanDerWaalsContact O-CA 3.28Å; L134-G159 WeakPolarHBondContact O-CA 3.09Å; L134-I160 HydrophobicContact CB-CD1 4.43Å; L134-I160 HydrophobicContact CB-CG2 3.99Å; L134-I160 HydrophobicContact CD1-CD1 4.26Å | ||
| 135 | N | 85.7 | Confident | 90.1 | Very high | 80 Ų | 80 | 39.6 Ų | 39.6 | 43% | 0.428 | 21% | 0.212 | S | C | . | . | trans | -124 | 56.6 | -174.6 | -163.4 | 33.1 | 0 | 0 | 0 | 112.5 | P137 G159 | N135-P137 WeakPolarHBondContact O-CD 3.23Å; N135-G159 CarbonylContact C-O 3.57Å | ||
| 136 | F | 89.3 | Confident | 90.1 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | trans | -118 | 89.2 | -169.7 | -51.5 | -53.4 | 0 | 0 | 0 | 110.3 | L110 L116 L134 Q138 L139 G159 I160 | L110-F136 VanDerWaalsContact C-CE1 3.49Å; L110-F136 VanDerWaalsContact C-CZ 3.5Å; L110-F136 HydrophobicContact CB-CE1 4.21Å; L110-F136 HydrophobicContact CB-CE2 4.01Å; L110-F136 HydrophobicContact CB-CZ 3.42Å; L110-F136 VanDerWaalsContact CB-CZ 3.42Å; L110-F136 WeakPolarHBondContact O-CE1 3.26Å; L110-F136 WeakPolarHBondContact O-CZ 3.47Å; L116-F136 HydrophobicContact CD2-CD2 4.38Å; L116-F136 HydrophobicContact CD2-CG 4.31Å; L134-F136 HydrophobicContact CB-CD2 4.34Å; L134-F136 HydrophobicContact CB-CE2 4.28Å; L134-F136 HydrophobicContact CD2-CD2 4.3Å; L134-F136 HydrophobicContact CD2-CE2 3.88Å; F136-Q138 PolarHBondContact O-N 3.5Å; F136-Q138 VanDerWaalsContact O-N 3.08Å; F136-L139 HydrophobicContact CB-CB 3.76Å; F136-L139 HydrophobicContact CB-CD2 4.48Å; F136-L139 HydrophobicContact CB-CG 4.49Å; F136-L139 HydrophobicContact CD2-CD2 4.49Å; F136-L139 VanDerWaalsContact O-CB 3.31Å; F136-L139 WeakPolarHBondContact O-CB 3.03Å; F136-L139 PolarHBondContact O-N 3.3Å; F136-G159 CarbonylContact C-O 3.4Å; F136-G159 PolarHBondContact N-O 3.12Å; F136-I160 HydrophobicContact CB-CG2 3.95Å; F136-I160 HydrophobicContact CD2-CG2 4.28Å | ||
| 137 | P | 85.7 | Confident | 90.2 | Very high | 55 Ų | 55 | 41 Ų | 41 | 36% | 0.357 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -16.6 | -170.9 | 25.4 | -34.8 | 0 | 0 | 0 | 114 | N135 S162 | N135-P137 WeakPolarHBondContact O-CD 3.23Å; P137-S162 VanDerWaalsContact O-CB 3.3Å; P137-S162 WeakPolarHBondContact O-CB 3.2Å; P137-S162 PolarHBondContact O-OG 2.87Å |
| 138 | Q | 90.1 | Very high | 90.3 | Very high | 99 Ų | 99 | 41.2 Ų | 41.2 | 46% | 0.463 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -5.7 | 175.3 | -59.1 | -56.8 | -31.4 | 0 | 0 | 114.1 | L116 F136 K140 | L116-Q138 CarbonylContact O-C 3.02Å; F136-Q138 PolarHBondContact O-N 3.5Å; F136-Q138 VanDerWaalsContact O-N 3.08Å; Q138-K140 PolarHBondContact O-N 3.07Å |
| 139 | L | 93.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -67.6 | 126.7 | -170.6 | -163.4 | 77.5 | 0 | 0 | 0 | 111.6 | L116 E117 L119 F136 I142 I160 S162 L163 | L116-L139 HydrophobicContact CB-CD1 4.35Å; L116-L139 HydrophobicContact CD2-CD1 3.99Å; L116-L139 HydrophobicContact CG-CD1 3.76Å; L116-L139 VanDerWaalsContact O-CA 3.23Å; L116-L139 WeakPolarHBondContact O-CA 3.43Å; L116-L139 PolarHBondContact O-N 3.03Å; L116-L139 VanDerWaalsContact O-N 3.08Å; E117-L139 WeakPolarHBondContact O-CD1 2.95Å; L119-L139 HydrophobicContact CB-CD1 3.89Å; F136-L139 HydrophobicContact CB-CB 3.76Å; F136-L139 HydrophobicContact CB-CD2 4.48Å; F136-L139 HydrophobicContact CB-CG 4.49Å; F136-L139 HydrophobicContact CD2-CD2 4.49Å; F136-L139 VanDerWaalsContact O-CB 3.31Å; F136-L139 WeakPolarHBondContact O-CB 3.03Å; F136-L139 PolarHBondContact O-N 3.3Å; L139-I142 HydrophobicContact CD2-CB 4.18Å; L139-I142 HydrophobicContact CD2-CD1 4.46Å; L139-I160 HydrophobicContact CB-CB 4.36Å; L139-I160 HydrophobicContact CB-CG2 4.1Å; L139-I160 HydrophobicContact CD2-CB 4.35Å; L139-I160 HydrophobicContact CD2-CD1 4.17Å; L139-I160 HydrophobicContact CD2-CG2 3.83Å; L139-S162 CarbonylContact O-C 3.33Å; L139-S162 WeakPolarHBondContact O-CB 3.06Å; L139-L163 HydrophobicContact CD2-CD1 4.22Å; L139-L163 HydrophobicContact CG-CD1 4.32Å; L139-L163 VanDerWaalsContact O-CA 3.25Å; L139-L163 WeakPolarHBondContact O-CA 3.49Å; L139-L163 PolarHBondContact O-N 3.1Å | ||
| 140 | K | 95.5 | Very high | 90.6 | Very high | 72 Ų | 72 | 40.1 Ų | 40.1 | 31% | 0.313 | 22% | 0.218 | S | C | . | . | trans | -109.5 | -36.1 | -178.9 | -62.5 | 168.7 | -167 | 171.7 | 0 | 111.5 | E117 Q138 L164 Y165 | E117-K140 HydrophobicContact CB-CD 4.31Å; E117-K140 VanDerWaalsContact CD-NZ 3.3Å; E117-K140 WeakPolarHBondContact O-CA 3.4Å; E117-K140 WeakPolarHBondContact O-CB 2.98Å; E117-K140 PolarHBondContact O-N 2.87Å; E117-K140 IonicContact OE1-NZ 3.75Å; E117-K140 WeakPolarHBondContact OE2-CE 3.15Å; E117-K140 IonicContact OE2-NZ 3.16Å; E117-K140 PolarHBondContact OE2-NZ 3.09Å; Q138-K140 PolarHBondContact O-N 3.07Å; K140-L164 HydrophobicContact CB-CD1 4.31Å; K140-L164 HydrophobicContact CB-CG 4.33Å; K140-L164 HydrophobicContact CG-CD1 4.29Å; K140-L164 CarbonylContact O-C 3.5Å; K140-L164 WeakPolarHBondContact O-CA 3.33Å; K140-L164 WeakPolarHBondContact O-CB 3.47Å; K140-L164 PolarHBondContact O-N 2.71Å; K140-Y165 WeakPolarHBondContact O-CD2 3.1Å; K140-Y165 PolarHBondContact O-N 3.33Å | ||
| 141 | S | 96.8 | Very high | 90.9 | Very high | 18 Ų | 18 | 41.7 Ų | 41.7 | 13% | 0.126 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 136.5 | 179.3 | -168 | 0 | 0 | 0 | 0 | 112.2 | E117 D118 L119 Y165 | E117-S141 PolarHBondContact O-N 3.43Å; D118-S141 WeakPolarHBondContact OD1-CB 3.46Å; D118-S141 PolarHBondContact OD1-N 2.96Å; L119-S141 PolarHBondContact N-O 2.97Å; S141-Y165 WeakPolarHBondContact CA-O 3.46Å |
| 142 | I | 95 | Very high | 91.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 129.5 | 164.3 | -163.2 | 173.2 | 0 | 0 | 0 | 111.4 | L119 L134 L139 L144 L163 Y165 L166 Y167 | L119-I142 HydrophobicContact CB-CG1 4.28Å; L119-I142 HydrophobicContact CD2-CD1 4.05Å; L119-I142 HydrophobicContact CD2-CG1 4.32Å; L119-I142 HydrophobicContact CG-CG1 4.33Å; L119-I142 CarbonylContact O-C 3.53Å; L119-I142 VanDerWaalsContact O-CA 3.25Å; L119-I142 WeakPolarHBondContact O-CA 3.44Å; L134-I142 HydrophobicContact CD1-CD1 3.52Å; L134-I142 HydrophobicContact CD2-CD1 3.96Å; L134-I142 HydrophobicContact CG-CD1 4.4Å; L139-I142 HydrophobicContact CD2-CB 4.18Å; L139-I142 HydrophobicContact CD2-CD1 4.46Å; I142-L144 HydrophobicContact CD1-CD1 4.16Å; I142-L144 HydrophobicContact CD1-CG 4.42Å; I142-L144 HydrophobicContact CG1-CD1 4.48Å; I142-L144 HydrophobicContact CG1-CG 4.38Å; I142-L163 HydrophobicContact CB-CD1 4.21Å; I142-L163 HydrophobicContact CG2-CD1 3.89Å; I142-L163 HydrophobicContact CG2-CD2 3.96Å; I142-Y165 PolarHBondContact N-O 2.92Å; I142-L166 HydrophobicContact CG2-CD1 3.5Å; I142-L166 VanDerWaalsContact CG2-CD1 3.5Å; I142-L166 WeakPolarHBondContact O-CA 3.38Å; I142-Y167 PolarHBondContact O-N 3.4Å |
| 143 | S | 96.7 | Very high | 91.6 | Very high | 14 Ų | 14 | 38.9 Ų | 38.9 | 10% | 0.098 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 126.6 | 171.1 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | L119 L121 A122 E145 | L119-S143 PolarHBondContact O-N 2.98Å; L121-S143 CarbonylContact C-O 3.5Å; L121-S143 WeakPolarHBondContact CA-O 2.99Å; L121-S143 PolarHBondContact N-O 3.1Å; A122-S143 PolarHBondContact N-O 2.86Å; S143-E145 PolarHBondContact OG-OE2 2.74Å |
| 144 | L | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -128.2 | 20.4 | -179.5 | -74.6 | 162.4 | 0 | 0 | 0 | 110.3 | L121 I126 V129 I142 N147 I149 Y167 L168 N171 | L121-L144 HydrophobicContact CB-CD2 3.79Å; L121-L144 HydrophobicContact CD1-CD2 3.95Å; I126-L144 HydrophobicContact CD1-CD2 4.25Å; V129-L144 HydrophobicContact CG2-CD1 4.13Å; I142-L144 HydrophobicContact CD1-CD1 4.16Å; I142-L144 HydrophobicContact CD1-CG 4.42Å; I142-L144 HydrophobicContact CG1-CD1 4.48Å; I142-L144 HydrophobicContact CG1-CG 4.38Å; L144-N147 PolarHBondContact O-ND2 2.76Å; L144-N147 VanDerWaalsContact O-ND2 3.15Å; L144-I149 HydrophobicContact CB-CD1 4.24Å; L144-I149 HydrophobicContact CD2-CD1 4.22Å; L144-Y167 PolarHBondContact N-O 2.97Å; L144-L168 HydrophobicContact CB-CD2 3.84Å; L144-L168 HydrophobicContact CD1-CD2 4.07Å; L144-N171 PolarHBondContact O-ND2 3.18Å | ||
| 145 | E | 94.5 | Very high | 91.8 | Very high | 54 Ų | 54 | 43.7 Ų | 43.7 | 25% | 0.252 | 24% | 0.244 | S | C | . | . | trans | -63.1 | 158.1 | -178.1 | -56.8 | -174.7 | 102.9 | 0 | 0 | 112.4 | A122 A123 S143 N147 Y167 S169 | A122-E145 CarbonylContact C-O 3.06Å; A122-E145 WeakPolarHBondContact CA-O 3.36Å; A122-E145 HydrophobicContact CB-CB 4.19Å; A123-E145 PolarHBondContact N-O 3.08Å; S143-E145 PolarHBondContact OG-OE2 2.74Å; E145-N147 PolarHBondContact O-N 3.2Å; E145-N147 PolarHBondContact O-ND2 2.69Å; E145-Y167 VanDerWaalsContact CG-CB 3.49Å; E145-S169 CarbonylContact C-O 3.45Å; E145-S169 WeakPolarHBondContact CA-O 3.41Å; E145-S169 WeakPolarHBondContact CB-O 3.39Å; E145-S169 WeakPolarHBondContact OE1-CB 3.41Å; E145-S169 PolarHBondContact OE1-OG 2.68Å | ||
| 146 | V | 95.1 | Very high | 91.9 | Very high | 81 Ų | 81 | 39.9 Ų | 39.9 | 49% | 0.491 | 22% | 0.224 | S | C | . | . | S | Bend | trans | 52.2 | 55.5 | 176 | -165.5 | 0 | 0 | 0 | 0 | 111.2 | A123 N124 S169 S170 | A123-V146 WeakPolarHBondContact CA-O 3.41Å; A123-V146 HydrophobicContact CB-CB 4.2Å; A123-V146 HydrophobicContact CB-CG1 4.35Å; A123-V146 PolarHBondContact N-O 3.47Å; N124-V146 PolarHBondContact N-O 2.64Å; V146-S169 PolarHBondContact N-O 2.93Å; V146-S170 VanDerWaalsContact CA-O 3.27Å; V146-S170 WeakPolarHBondContact CA-O 3.09Å; V146-S170 PolarHBondContact N-O 2.89Å |
| 147 | N | 95.4 | Very high | 92 | Very high | 13 Ų | 13 | 39.8 Ų | 39.8 | 7% | 0.07 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -127.5 | -167.2 | 178.3 | -89.6 | -83 | 0 | 0 | 0 | 109.8 | L121 N124 Q125 I126 L144 E145 I149 S170 N171 | L121-N147 PolarHBondContact O-ND2 2.76Å; N124-N147 WeakPolarHBondContact CA-OD1 3.24Å; N124-N147 WeakPolarHBondContact CB-OD1 3.33Å; N124-N147 PolarHBondContact O-OD1 2.75Å; Q125-N147 PolarHBondContact N-OD1 2.86Å; I126-N147 VanDerWaalsContact CB-OD1 3.27Å; I126-N147 WeakPolarHBondContact CB-OD1 3.47Å; I126-N147 WeakPolarHBondContact CG1-OD1 3.24Å; I126-N147 PolarHBondContact N-OD1 2.75Å; L144-N147 PolarHBondContact O-ND2 2.76Å; L144-N147 VanDerWaalsContact O-ND2 3.15Å; E145-N147 PolarHBondContact O-N 3.2Å; E145-N147 PolarHBondContact O-ND2 2.69Å; N147-I149 HydrophobicContact CB-CD1 4.37Å; N147-I149 HydrophobicContact CB-CG1 4.03Å; N147-S170 PolarHBondContact N-O 2.79Å; N147-N171 VanDerWaalsContact CA-OD1 3.31Å; N147-N171 WeakPolarHBondContact CA-OD1 3.11Å; N147-N171 WeakPolarHBondContact CB-OD1 3.39Å; N147-N171 PolarHBondContact N-OD1 3.06Å; N147-N171 PolarHBondContact O-OD1 3.43Å |
| 148 | K | 94.9 | Very high | 92.1 | Very high | 68 Ų | 68 | 39.3 Ų | 39.3 | 30% | 0.296 | 22% | 0.224 | S | C | . | . | trans | -112 | 15.3 | -178.6 | -55.1 | 179.2 | -168.1 | 165.1 | 0 | 112.7 | Q125 I126 N171 R172 | Q125-K148 WeakPolarHBondContact O-CD 3.42Å; I126-K148 CarbonylContact O-C 3.32Å; I126-K148 VanDerWaalsContact O-C 3.28Å; I126-K148 VanDerWaalsContact O-CA 3.28Å; I126-K148 WeakPolarHBondContact O-CA 3.26Å; I126-K148 WeakPolarHBondContact O-CB 3.08Å; I126-K148 PolarHBondContact O-N 3.26Å; K148-N171 PolarHBondContact N-OD1 2.99Å; K148-R172 WeakPolarHBondContact O-CD 3.41Å | ||
| 149 | I | 94.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -73.2 | 130.8 | -171.5 | -27.4 | 171.9 | 0 | 0 | 0 | 109.7 | I126 S127 V129 L144 N147 I152 N171 R172 F173 | I126-I149 HydrophobicContact CB-CG1 4.49Å; I126-I149 HydrophobicContact CG2-CD1 4.16Å; I126-I149 HydrophobicContact CG2-CG1 4.22Å; I126-I149 VanDerWaalsContact O-CG1 3.3Å; I126-I149 WeakPolarHBondContact O-CG1 3.39Å; I126-I149 PolarHBondContact O-N 3.17Å; S127-I149 WeakPolarHBondContact O-CA 3.38Å; V129-I149 HydrophobicContact CG2-CD1 3.84Å; L144-I149 HydrophobicContact CB-CD1 4.24Å; L144-I149 HydrophobicContact CD2-CD1 4.22Å; N147-I149 HydrophobicContact CB-CD1 4.37Å; N147-I149 HydrophobicContact CB-CG1 4.03Å; I149-I152 HydrophobicContact CG2-CG1 4.39Å; I149-N171 WeakPolarHBondContact CG1-OD1 3.49Å; I149-N171 HydrophobicContact CG2-CB 4.19Å; I149-N171 PolarHBondContact N-OD1 3.24Å; I149-R172 CarbonylContact O-C 3.4Å; I149-R172 WeakPolarHBondContact O-CA 3.19Å; I149-R172 WeakPolarHBondContact O-CB 3.33Å; I149-R172 PolarHBondContact O-N 2.93Å; I149-F173 HydrophobicContact CG2-CD2 4.27Å; I149-F173 HydrophobicContact CG2-CE1 4.19Å; I149-F173 HydrophobicContact CG2-CE2 3.39Å; I149-F173 HydrophobicContact CG2-CZ 3.34Å | ||
| 150 | A | 91.7 | Very high | 91.8 | Very high | 55 Ų | 55 | 35.1 Ų | 35.1 | 46% | 0.455 | 21% | 0.207 | S | C | . | . | trans | -104.2 | -26.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R172 F173 | A150-R172 HydrophobicContact CB-CB 4.16Å; A150-F173 WeakPolarHBondContact O-CD1 3.18Å | ||
| 151 | S | 90.7 | Very high | 91.4 | Very high | 82 Ų | 82 | 34.6 Ų | 34.6 | 57% | 0.573 | 21% | 0.211 | S | C | * | . | trans | -153.1 | 164.8 | 177.1 | 59.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 152 | I | 91 | Very high | 91 | Very high | 7 Ų | 7 | 35 Ų | 35 | 4% | 0.036 | 21% | 0.214 | C | C | . | . | trans | -135.1 | 130 | 174.4 | -67.6 | -178.1 | 0 | 0 | 0 | 107.5 | V129 I149 A156 F157 L168 F173 M180 | V129-I152 HydrophobicContact CB-CG1 4.4Å; V129-I152 HydrophobicContact CB-CG2 4.49Å; V129-I152 HydrophobicContact CG2-CD1 4.19Å; V129-I152 HydrophobicContact CG2-CG1 4.25Å; I149-I152 HydrophobicContact CG2-CG1 4.39Å; I152-A156 HydrophobicContact CG2-CB 3.5Å; I152-A156 VanDerWaalsContact CG2-CB 3.5Å; I152-F157 HydrophobicContact CD1-CE2 4.36Å; I152-F157 HydrophobicContact CD1-CZ 3.82Å; I152-F157 HydrophobicContact CG2-CE2 4.07Å; I152-F157 HydrophobicContact CG2-CZ 4.08Å; I152-L168 HydrophobicContact CD1-CD1 4.36Å; I152-L168 HydrophobicContact CD1-CD2 3.75Å; I152-F173 HydrophobicContact CD1-CE1 4.48Å; I152-F173 HydrophobicContact CD1-CZ 3.84Å; I152-F173 HydrophobicContact CG1-CE1 4.13Å; I152-F173 HydrophobicContact CG1-CZ 3.9Å; I152-M180 HydrophobicContact CB-CB 3.92Å; I152-M180 HydrophobicContact CG2-CB 3.98Å; I152-M180 WeakPolarHBondContact O-CB 3.29Å | ||
| 153 | E | 86.3 | Confident | 91 | Very high | 114 Ų | 114 | 35 Ų | 35 | 53% | 0.533 | 21% | 0.214 | S | C | . | . | trans | -72 | 150.2 | -176.7 | -68.4 | 179.8 | -128.9 | 0 | 0 | 112.6 | V131 N155 A156 | V131-E153 HydrophobicContact CG2-CB 3.87Å; V131-E153 WeakPolarHBondContact CG2-OE2 3.39Å; E153-N155 PolarHBondContact O-N 3.08Å; E153-A156 WeakPolarHBondContact O-CB 3.42Å; E153-A156 PolarHBondContact O-N 3.1Å | ||
| 154 | A | 83.1 | Confident | 91 | Very high | 25 Ų | 25 | 36 Ų | 36 | 21% | 0.207 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -27.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116 | S179 | A154-S179 WeakPolarHBondContact CA-O 3.3Å; A154-S179 WeakPolarHBondContact CA-OG 2.94Å; A154-S179 VanDerWaalsContact CB-OG 3.28Å; A154-S179 WeakPolarHBondContact CB-OG 3.45Å |
| 155 | N | 86.6 | Confident | 91 | Very high | 79 Ų | 79 | 40.2 Ų | 40.2 | 42% | 0.422 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 7.3 | -176.3 | -61.9 | -25.2 | 0 | 0 | 0 | 112.7 | V131 E153 F157 A158 | V131-N155 HydrophobicContact CB-CB 4.48Å; V131-N155 HydrophobicContact CG1-CB 3.62Å; V131-N155 HydrophobicContact CG2-CB 4.01Å; E153-N155 PolarHBondContact O-N 3.08Å; N155-F157 PolarHBondContact O-N 3.13Å; N155-A158 HydrophobicContact CB-CB 4.34Å; N155-A158 WeakPolarHBondContact O-CB 3.14Å; N155-A158 PolarHBondContact O-N 3.39Å |
| 156 | A | 88.5 | Confident | 91.1 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -39.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V129 I152 E153 | V129-A156 HydrophobicContact CB-CB 4.45Å; V129-A156 HydrophobicContact CG1-CB 4.08Å; V129-A156 WeakPolarHBondContact O-CB 3.43Å; I152-A156 HydrophobicContact CG2-CB 3.5Å; I152-A156 VanDerWaalsContact CG2-CB 3.5Å; E153-A156 WeakPolarHBondContact O-CB 3.42Å; E153-A156 PolarHBondContact O-N 3.1Å |
| 157 | F | 90.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 15.5 | 178.8 | -56.1 | -41.1 | 0 | 0 | 0 | 114.1 | V129 L134 I152 N155 G159 I160 L166 M180 S183 V184 | V129-F157 HydrophobicContact CG1-CE1 4.38Å; L134-F157 HydrophobicContact CD1-CD1 3.82Å; L134-F157 HydrophobicContact CD1-CE1 3.81Å; I152-F157 HydrophobicContact CD1-CE2 4.36Å; I152-F157 HydrophobicContact CD1-CZ 3.82Å; I152-F157 HydrophobicContact CG2-CE2 4.07Å; I152-F157 HydrophobicContact CG2-CZ 4.08Å; N155-F157 PolarHBondContact O-N 3.13Å; F157-G159 PolarHBondContact O-N 2.95Å; F157-I160 HydrophobicContact CB-CD1 3.93Å; F157-I160 HydrophobicContact CB-CG1 3.73Å; F157-I160 HydrophobicContact CD1-CD1 3.56Å; F157-I160 HydrophobicContact CD1-CG1 4.29Å; F157-I160 HydrophobicContact CE1-CD1 4.35Å; F157-I160 HydrophobicContact CG-CD1 3.99Å; F157-I160 HydrophobicContact CG-CG1 4.35Å; F157-I160 WeakPolarHBondContact O-CG1 3.31Å; F157-I160 PolarHBondContact O-N 2.83Å; F157-I160 VanDerWaalsContact O-N 3.13Å; F157-L166 HydrophobicContact CE2-CD1 4.43Å; F157-L166 HydrophobicContact CE2-CD2 3.82Å; F157-L166 HydrophobicContact CZ-CD1 4.02Å; F157-L166 HydrophobicContact CZ-CD2 4.23Å; F157-M180 WeakPolarHBondContact CD2-O 3.49Å; F157-S183 VanDerWaalsContact C-CB 3.47Å; F157-S183 WeakPolarHBondContact O-CB 3.47Å; F157-V184 HydrophobicContact CB-CG1 3.6Å; F157-V184 HydrophobicContact CD2-CG1 4.27Å; F157-V184 HydrophobicContact CD2-CG2 4.48Å; F157-V184 HydrophobicContact CG-CG1 4.2Å |
| 158 | A | 89.5 | Confident | 91.2 | Very high | 45 Ų | 45 | 36.4 Ų | 36.4 | 37% | 0.372 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -29.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N155 S183 | N155-A158 HydrophobicContact CB-CB 4.34Å; N155-A158 WeakPolarHBondContact O-CB 3.14Å; N155-A158 PolarHBondContact O-N 3.39Å; A158-S183 WeakPolarHBondContact CA-OG 3.23Å |
| 159 | G | 85.8 | Confident | 91.2 | Very high | 11 Ų | 11 | 33.8 Ų | 33.8 | 11% | 0.113 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 3.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | L134 N135 F136 F157 P161 | L134-G159 CarbonylContact O-C 3.24Å; L134-G159 VanDerWaalsContact O-CA 3.28Å; L134-G159 WeakPolarHBondContact O-CA 3.09Å; N135-G159 CarbonylContact C-O 3.57Å; F136-G159 CarbonylContact C-O 3.4Å; F136-G159 PolarHBondContact N-O 3.12Å; F157-G159 PolarHBondContact O-N 2.95Å; G159-P161 WeakPolarHBondContact O-CD 3.18Å |
| 160 | I | 91 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -121.5 | 53.2 | 180 | 60.6 | 174.6 | 0 | 0 | 0 | 113.6 | L134 F136 L139 F157 S162 L163 V184 | L134-I160 HydrophobicContact CB-CD1 4.43Å; L134-I160 HydrophobicContact CB-CG2 3.99Å; L134-I160 HydrophobicContact CD1-CD1 4.26Å; F136-I160 HydrophobicContact CB-CG2 3.95Å; F136-I160 HydrophobicContact CD2-CG2 4.28Å; L139-I160 HydrophobicContact CB-CB 4.36Å; L139-I160 HydrophobicContact CB-CG2 4.1Å; L139-I160 HydrophobicContact CD2-CB 4.35Å; L139-I160 HydrophobicContact CD2-CD1 4.17Å; L139-I160 HydrophobicContact CD2-CG2 3.83Å; F157-I160 HydrophobicContact CB-CD1 3.93Å; F157-I160 HydrophobicContact CB-CG1 3.73Å; F157-I160 HydrophobicContact CD1-CD1 3.56Å; F157-I160 HydrophobicContact CD1-CG1 4.29Å; F157-I160 HydrophobicContact CE1-CD1 4.35Å; F157-I160 HydrophobicContact CG-CD1 3.99Å; F157-I160 HydrophobicContact CG-CG1 4.35Å; F157-I160 WeakPolarHBondContact O-CG1 3.31Å; F157-I160 PolarHBondContact O-N 2.83Å; F157-I160 VanDerWaalsContact O-N 3.13Å; I160-S162 PolarHBondContact O-N 2.96Å; I160-L163 HydrophobicContact CD1-CD1 4.29Å; I160-L163 HydrophobicContact CD1-CD2 3.93Å; I160-L163 HydrophobicContact CD1-CG 4.5Å; I160-L163 WeakPolarHBondContact O-CB 3.3Å; I160-L163 PolarHBondContact O-N 3.22Å; I160-L163 VanDerWaalsContact O-N 3.16Å; I160-V184 HydrophobicContact CG1-CG1 4.31Å | ||
| 161 | P | 86.5 | Confident | 91.4 | Very high | 60 Ų | 60 | 33.6 Ų | 33.6 | 39% | 0.39 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -7.6 | -173.6 | 30.5 | -38.9 | 0 | 0 | 0 | 115.2 | G159 | G159-P161 WeakPolarHBondContact O-CD 3.18Š|
| 162 | S | 89.2 | Confident | 91.6 | Very high | 27 Ų | 27 | 36.6 Ų | 36.6 | 19% | 0.189 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -1.5 | 177.9 | -65.7 | 0 | 0 | 0 | 0 | 113.9 | P137 L139 I160 L164 | P137-S162 VanDerWaalsContact O-CB 3.3Å; P137-S162 WeakPolarHBondContact O-CB 3.2Å; P137-S162 PolarHBondContact O-OG 2.87Å; L139-S162 CarbonylContact O-C 3.33Å; L139-S162 WeakPolarHBondContact O-CB 3.06Å; I160-S162 PolarHBondContact O-N 2.96Å; S162-L164 WeakPolarHBondContact O-CG 3.48Å; S162-L164 PolarHBondContact O-N 2.7Å |
| 163 | L | 93.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -60 | 131.7 | -170.4 | -165.5 | 72.9 | 0 | 0 | 0 | 112.7 | L139 I142 I160 L166 V184 R186 L187 | L139-L163 HydrophobicContact CD2-CD1 4.22Å; L139-L163 HydrophobicContact CG-CD1 4.32Å; L139-L163 VanDerWaalsContact O-CA 3.25Å; L139-L163 WeakPolarHBondContact O-CA 3.49Å; L139-L163 PolarHBondContact O-N 3.1Å; I142-L163 HydrophobicContact CB-CD1 4.21Å; I142-L163 HydrophobicContact CG2-CD1 3.89Å; I142-L163 HydrophobicContact CG2-CD2 3.96Å; I160-L163 HydrophobicContact CD1-CD1 4.29Å; I160-L163 HydrophobicContact CD1-CD2 3.93Å; I160-L163 HydrophobicContact CD1-CG 4.5Å; I160-L163 WeakPolarHBondContact O-CB 3.3Å; I160-L163 PolarHBondContact O-N 3.22Å; I160-L163 VanDerWaalsContact O-N 3.16Å; L163-L166 HydrophobicContact CD2-CB 4.13Å; L163-V184 HydrophobicContact CB-CB 4.42Å; L163-V184 HydrophobicContact CB-CG1 3.97Å; L163-V184 HydrophobicContact CD2-CB 4.44Å; L163-V184 HydrophobicContact CD2-CG1 3.87Å; L163-R186 CarbonylContact O-C 3.19Å; L163-L187 HydrophobicContact CD2-CD1 3.99Å; L163-L187 HydrophobicContact CG-CD1 4.03Å; L163-L187 WeakPolarHBondContact O-CA 3.16Å; L163-L187 PolarHBondContact O-N 2.85Å | ||
| 164 | L | 96.3 | Very high | 91.9 | Very high | 36 Ų | 36 | 37.1 Ų | 37.1 | 19% | 0.188 | 19% | 0.194 | C | C | . | . | trans | -117.9 | -30.2 | -178.5 | -55.5 | -176.4 | 0 | 0 | 0 | 112.6 | K140 S162 R186 K188 V189 | K140-L164 HydrophobicContact CB-CD1 4.31Å; K140-L164 HydrophobicContact CB-CG 4.33Å; K140-L164 HydrophobicContact CG-CD1 4.29Å; K140-L164 CarbonylContact O-C 3.5Å; K140-L164 WeakPolarHBondContact O-CA 3.33Å; K140-L164 WeakPolarHBondContact O-CB 3.47Å; K140-L164 PolarHBondContact O-N 2.71Å; S162-L164 WeakPolarHBondContact O-CG 3.48Å; S162-L164 PolarHBondContact O-N 2.7Å; L164-R186 HydrophobicContact CD2-CB 4.22Å; L164-R186 WeakPolarHBondContact CD2-O 3.26Å; L164-K188 HydrophobicContact CD2-CD 4.33Å; L164-K188 HydrophobicContact CD2-CG 4.33Å; L164-K188 CarbonylContact O-C 3.37Å; L164-K188 WeakPolarHBondContact O-CA 3.16Å; L164-K188 WeakPolarHBondContact O-CB 3.37Å; L164-K188 PolarHBondContact O-N 3.08Å; L164-V189 PolarHBondContact O-N 2.83Å | ||
| 165 | Y | 97.1 | Very high | 92.2 | Very high | 88 Ų | 88 | 43.1 Ų | 43.1 | 35% | 0.345 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 127 | -177.9 | -47.6 | -91.4 | 0 | 0 | 0 | 110.2 | K140 S141 I142 V189 | K140-Y165 WeakPolarHBondContact O-CD2 3.1Å; K140-Y165 PolarHBondContact O-N 3.33Å; S141-Y165 WeakPolarHBondContact CA-O 3.46Å; I142-Y165 PolarHBondContact N-O 2.92Å; Y165-V189 HydrophobicContact CD1-CB 3.68Å; Y165-V189 HydrophobicContact CD1-CG2 3.38Å; Y165-V189 HydrophobicContact CE1-CB 4.43Å; Y165-V189 HydrophobicContact CE1-CG2 3.63Å; Y165-V189 HydrophobicContact CG-CB 4.48Å |
| 166 | L | 96 | Very high | 92.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 117.3 | 179.7 | 175 | 55.4 | 0 | 0 | 0 | 109.5 | I142 F157 L163 L168 L181 L187 V189 L190 A191 | I142-L166 HydrophobicContact CG2-CD1 3.5Å; I142-L166 VanDerWaalsContact CG2-CD1 3.5Å; I142-L166 WeakPolarHBondContact O-CA 3.38Å; F157-L166 HydrophobicContact CE2-CD1 4.43Å; F157-L166 HydrophobicContact CE2-CD2 3.82Å; F157-L166 HydrophobicContact CZ-CD1 4.02Å; F157-L166 HydrophobicContact CZ-CD2 4.23Å; L163-L166 HydrophobicContact CD2-CB 4.13Å; L166-L168 HydrophobicContact CD1-CD1 3.99Å; L166-L168 HydrophobicContact CD1-CD2 4.39Å; L166-L168 HydrophobicContact CD1-CG 3.92Å; L166-L168 HydrophobicContact CD2-CD1 3.99Å; L166-L168 HydrophobicContact CG-CD1 3.87Å; L166-L168 HydrophobicContact CG-CG 4.15Å; L166-L181 HydrophobicContact CD2-CD2 3.98Å; L166-L187 HydrophobicContact CB-CD1 3.61Å; L166-L187 HydrophobicContact CB-CD2 4.12Å; L166-L187 HydrophobicContact CB-CG 4.49Å; L166-L187 HydrophobicContact CD2-CD2 4.25Å; L166-V189 PolarHBondContact N-O 3.43Å; L166-L190 HydrophobicContact CB-CD1 4.13Å; L166-L190 HydrophobicContact CD2-CD1 3.85Å; L166-L190 HydrophobicContact CG-CD1 3.87Å; L166-L190 WeakPolarHBondContact O-CA 3.22Å; L166-A191 PolarHBondContact O-N 3.46Å |
| 167 | Y | 97.1 | Very high | 92.5 | Very high | 68 Ų | 68 | 43.6 Ų | 43.6 | 27% | 0.267 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 125.8 | 179 | -47.3 | -99.8 | 0 | 0 | 0 | 110.1 | I142 L144 E145 A191 | I142-Y167 PolarHBondContact O-N 3.4Å; L144-Y167 PolarHBondContact N-O 2.97Å; E145-Y167 VanDerWaalsContact CG-CB 3.49Å; Y167-A191 CarbonylContact C-O 3.16Å; Y167-A191 WeakPolarHBondContact CA-O 3.15Å; Y167-A191 HydrophobicContact CD1-CB 3.79Å; Y167-A191 HydrophobicContact CE1-CB 4.5Å |
| 168 | L | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -138.6 | 9.6 | -171.7 | -72.1 | 166.1 | 0 | 0 | 0 | 112.2 | L144 I152 L166 N171 F173 A191 M192 N195 | L144-L168 HydrophobicContact CB-CD2 3.84Å; L144-L168 HydrophobicContact CD1-CD2 4.07Å; I152-L168 HydrophobicContact CD1-CD1 4.36Å; I152-L168 HydrophobicContact CD1-CD2 3.75Å; L166-L168 HydrophobicContact CD1-CD1 3.99Å; L166-L168 HydrophobicContact CD1-CD2 4.39Å; L166-L168 HydrophobicContact CD1-CG 3.92Å; L166-L168 HydrophobicContact CD2-CD1 3.99Å; L166-L168 HydrophobicContact CG-CD1 3.87Å; L166-L168 HydrophobicContact CG-CG 4.15Å; L168-N171 PolarHBondContact O-ND2 3.19Å; L168-F173 HydrophobicContact CB-CE2 4.19Å; L168-F173 HydrophobicContact CD1-CE2 4.48Å; L168-F173 HydrophobicContact CD1-CZ 4.35Å; L168-F173 HydrophobicContact CD2-CE2 4.15Å; L168-F173 HydrophobicContact CD2-CZ 4.2Å; L168-A191 PolarHBondContact N-O 2.87Å; L168-M192 HydrophobicContact CB-CB 4.39Å; L168-M192 HydrophobicContact CB-CG 4.04Å; L168-M192 HydrophobicContact CB-SD 4.36Å; L168-M192 HydrophobicContact CD1-CG 4.33Å; L168-M192 HydrophobicContact CD1-SD 3.76Å; L168-N195 PolarHBondContact O-ND2 3.01Å | ||
| 169 | S | 95.3 | Very high | 92.3 | Very high | 12 Ų | 12 | 45.9 Ų | 45.9 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | trans | -58.1 | 147 | -177.3 | -39.5 | 0 | 0 | 0 | 0 | 113.2 | E145 V146 A191 G193 | E145-S169 CarbonylContact C-O 3.45Å; E145-S169 WeakPolarHBondContact CA-O 3.41Å; E145-S169 WeakPolarHBondContact CB-O 3.39Å; E145-S169 WeakPolarHBondContact OE1-CB 3.41Å; E145-S169 PolarHBondContact OE1-OG 2.68Å; V146-S169 PolarHBondContact N-O 2.93Å; S169-A191 PolarHBondContact N-O 3.09Å; S169-G193 CarbonylContact C-O 3.5Å; S169-G193 WeakPolarHBondContact CA-O 3.5Å; S169-G193 WeakPolarHBondContact CB-O 3.15Å; S169-G193 PolarHBondContact OG-N 2.93Å | ||
| 170 | S | 95.7 | Very high | 92.5 | Very high | 38 Ų | 38 | 45.5 Ų | 45.5 | 27% | 0.266 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 60.7 | 50.8 | 177.4 | -38.3 | 0 | 0 | 0 | 0 | 113.1 | V146 N147 G193 N194 | V146-S170 VanDerWaalsContact CA-O 3.27Å; V146-S170 WeakPolarHBondContact CA-O 3.09Å; V146-S170 PolarHBondContact N-O 2.89Å; N147-S170 PolarHBondContact N-O 2.79Å; S170-G193 PolarHBondContact N-O 3.42Å; S170-N194 PolarHBondContact OG-ND2 2.87Å |
| 171 | N | 94.5 | Very high | 92.5 | Very high | 14 Ų | 14 | 45.5 Ų | 45.5 | 8% | 0.075 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -113.6 | -151.4 | 173.8 | -91.1 | -72 | 0 | 0 | 0 | 109.6 | L144 N147 K148 I149 L168 F173 N195 | L144-N171 PolarHBondContact O-ND2 3.18Å; N147-N171 VanDerWaalsContact CA-OD1 3.31Å; N147-N171 WeakPolarHBondContact CA-OD1 3.11Å; N147-N171 WeakPolarHBondContact CB-OD1 3.39Å; N147-N171 PolarHBondContact N-OD1 3.06Å; N147-N171 PolarHBondContact O-OD1 3.43Å; K148-N171 PolarHBondContact N-OD1 2.99Å; I149-N171 WeakPolarHBondContact CG1-OD1 3.49Å; I149-N171 HydrophobicContact CG2-CB 4.19Å; I149-N171 PolarHBondContact N-OD1 3.24Å; L168-N171 PolarHBondContact O-ND2 3.19Å; N171-F173 HydrophobicContact CB-CD2 3.86Å; N171-F173 HydrophobicContact CB-CE2 3.94Å; N171-N195 WeakPolarHBondContact CA-OD1 2.98Å; N171-N195 WeakPolarHBondContact CB-OD1 3.43Å; N171-N195 PolarHBondContact N-OD1 3.29Å; N171-N195 PolarHBondContact O-OD1 3.26Å |
| 172 | R | 94 | Very high | 92.7 | Very high | 144 Ų | 144 | 48.8 Ų | 48.8 | 54% | 0.543 | 23% | 0.225 | S | C | . | . | trans | -124.1 | 23.2 | -175.7 | -56.8 | -175.3 | 177 | -174.1 | -7.2 | 113.6 | K148 I149 A150 E174 N195 | K148-R172 WeakPolarHBondContact O-CD 3.41Å; I149-R172 CarbonylContact O-C 3.4Å; I149-R172 WeakPolarHBondContact O-CA 3.19Å; I149-R172 WeakPolarHBondContact O-CB 3.33Å; I149-R172 PolarHBondContact O-N 2.93Å; A150-R172 HydrophobicContact CB-CB 4.16Å; R172-E174 PolarHBondContact O-N 2.73Å; R172-E174 VanDerWaalsContact O-N 3.11Å; R172-N195 PolarHBondContact N-OD1 3.33Å | ||
| 173 | F | 93.8 | Very high | 92.6 | Very high | 6 Ų | 6 | 48.7 Ų | 48.7 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | trans | -66.7 | 108.9 | 178.1 | -65.1 | -86.7 | 0 | 0 | 0 | 110.9 | I149 A150 I152 L168 N171 M180 N195 P196 I197 | I149-F173 HydrophobicContact CG2-CD2 4.27Å; I149-F173 HydrophobicContact CG2-CE1 4.19Å; I149-F173 HydrophobicContact CG2-CE2 3.39Å; I149-F173 HydrophobicContact CG2-CZ 3.34Å; A150-F173 WeakPolarHBondContact O-CD1 3.18Å; I152-F173 HydrophobicContact CD1-CE1 4.48Å; I152-F173 HydrophobicContact CD1-CZ 3.84Å; I152-F173 HydrophobicContact CG1-CE1 4.13Å; I152-F173 HydrophobicContact CG1-CZ 3.9Å; L168-F173 HydrophobicContact CB-CE2 4.19Å; L168-F173 HydrophobicContact CD1-CE2 4.48Å; L168-F173 HydrophobicContact CD1-CZ 4.35Å; L168-F173 HydrophobicContact CD2-CE2 4.15Å; L168-F173 HydrophobicContact CD2-CZ 4.2Å; N171-F173 HydrophobicContact CB-CD2 3.86Å; N171-F173 HydrophobicContact CB-CE2 3.94Å; F173-M180 HydrophobicContact CE1-SD 4.13Å; F173-N195 HydrophobicContact CB-CB 4.19Å; F173-N195 WeakPolarHBondContact CD2-OD1 3.11Å; F173-N195 PolarHBondContact N-OD1 3Å; F173-P196 CarbonylContact O-C 3.5Å; F173-P196 WeakPolarHBondContact O-CD 3.27Å; F173-P196 WeakPolarHBondContact O-CG 3.34Å; F173-P196 VanDerWaalsContact O-N 3.15Å; F173-I197 HydrophobicContact CB-CD1 3.94Å; F173-I197 HydrophobicContact CB-CG1 3.86Å; F173-I197 VanDerWaalsContact O-CG1 3.26Å; F173-I197 WeakPolarHBondContact O-CG1 3.35Å; F173-I197 PolarHBondContact O-N 3.46Å | ||
| 174 | E | 90.5 | Very high | 92.5 | Very high | 127 Ų | 127 | 48.7 Ų | 48.7 | 59% | 0.593 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -82.8 | -22.6 | 175 | -63.1 | -163.2 | -154.6 | 0 | 0 | 113 | R172 P196 I197 | R172-E174 PolarHBondContact O-N 2.73Å; R172-E174 VanDerWaalsContact O-N 3.11Å; E174-P196 HydrophobicContact CG-CG 4.11Å; E174-I197 WeakPolarHBondContact O-CA 3.23Å |
| 175 | E | 89.7 | Confident | 92.2 | Very high | 151 Ų | 151 | 50.1 Ų | 50.1 | 71% | 0.706 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -139.1 | 165.3 | 177.2 | 65.2 | -178.4 | 178.2 | 0 | 0 | 111.3 | ||
| 176 | F | 92.2 | Very high | 91.9 | Very high | 20 Ų | 20 | 53 Ų | 53 | 9% | 0.088 | 25% | 0.245 | C | C | . | . | trans | -102.3 | 107.1 | 174.9 | -168.9 | -61.4 | 0 | 0 | 0 | 109.2 | M180 L181 M192 I197 L200 S204 F205 M216 | F176-M180 HydrophobicContact CD1-CE 4.36Å; F176-M180 HydrophobicContact CE1-CE 3.98Å; F176-M180 HydrophobicContact CE2-CE 4.24Å; F176-M180 HydrophobicContact CZ-CE 3.94Å; F176-L181 HydrophobicContact CE1-CD1 4.17Å; F176-L181 HydrophobicContact CZ-CD1 3.76Å; F176-M192 HydrophobicContact CD2-CE 3.53Å; F176-M192 HydrophobicContact CE2-CE 3.33Å; F176-M192 HydrophobicContact CZ-CE 4.3Å; F176-I197 HydrophobicContact CB-CG2 3.93Å; F176-L200 HydrophobicContact CB-CD2 3.71Å; F176-L200 HydrophobicContact CD2-CD2 3.31Å; F176-L200 HydrophobicContact CE2-CD2 4.02Å; F176-L200 HydrophobicContact CG-CD2 3.64Å; F176-S204 WeakPolarHBondContact CE1-O 3.25Å; F176-F205 HydrophobicContact CE2-CD1 4.2Å; F176-F205 AromaticContact CE2-CE1 3.41Å; F176-F205 HydrophobicContact CE2-CE1 3.41Å; F176-F205 VanDerWaalsContact CE2-CE1 3.41Å; F176-F205 AromaticContact CE2-CZ 3.77Å; F176-F205 HydrophobicContact CE2-CZ 3.77Å; F176-F205 AromaticContact CZ-CD1 3.78Å; F176-F205 HydrophobicContact CZ-CD1 3.78Å; F176-F205 AromaticContact CZ-CE1 3.47Å; F176-F205 HydrophobicContact CZ-CE1 3.47Å; F176-F205 VanDerWaalsContact CZ-CE1 3.47Å; F176-F205 HydrophobicContact CZ-CZ 4.13Å; F176-M216 HydrophobicContact CD2-CE 4.16Å; F176-M216 HydrophobicContact CE2-SD 4.42Å | ||
| 177 | D | 88.8 | Confident | 91.9 | Very high | 69 Ų | 69 | 53 Ų | 53 | 37% | 0.369 | 25% | 0.245 | S | C | . | . | trans | -85.1 | 118.1 | 166.9 | -177.4 | 13.1 | 0 | 0 | 0 | 110.7 | S179 M180 | D177-S179 PolarHBondContact O-N 3.33Å; D177-S179 VanDerWaalsContact OD1-CB 3.3Å; D177-S179 WeakPolarHBondContact OD1-CB 3.37Å; D177-S179 PolarHBondContact OD1-N 3.04Å; D177-S179 WeakPolarHBondContact OD2-CB 3.32Å; D177-S179 PolarHBondContact OD2-OG 2.73Å; D177-M180 WeakPolarHBondContact O-CG 3.2Å | ||
| 178 | Q | 88.1 | Confident | 91.8 | Very high | 74 Ų | 74 | 53.8 Ų | 53.8 | 35% | 0.346 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -58.3 | -24.3 | 171.4 | 64.2 | -178.4 | -20.5 | 0 | 0 | 113 | M180 L181 G203 F207 | Q178-M180 PolarHBondContact O-N 2.92Å; Q178-L181 PolarHBondContact O-N 3.35Å; Q178-G203 PolarHBondContact OE1-O 3.19Å; Q178-F207 HydrophobicContact CB-CE2 4.47Å; Q178-F207 VanDerWaalsContact O-CD2 3.27Å; Q178-F207 WeakPolarHBondContact O-CD2 3.36Å; Q178-F207 WeakPolarHBondContact O-CE2 3.47Å |
| 179 | S | 87.2 | Confident | 91.8 | Very high | 18 Ų | 18 | 54.7 Ų | 54.7 | 13% | 0.126 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -67.5 | -35.3 | -172.8 | 97.5 | 0 | 0 | 0 | 0 | 112.4 | A154 D177 L181 R182 | A154-S179 WeakPolarHBondContact CA-O 3.3Å; A154-S179 WeakPolarHBondContact CA-OG 2.94Å; A154-S179 VanDerWaalsContact CB-OG 3.28Å; A154-S179 WeakPolarHBondContact CB-OG 3.45Å; D177-S179 PolarHBondContact O-N 3.33Å; D177-S179 VanDerWaalsContact OD1-CB 3.3Å; D177-S179 WeakPolarHBondContact OD1-CB 3.37Å; D177-S179 PolarHBondContact OD1-N 3.04Å; D177-S179 WeakPolarHBondContact OD2-CB 3.32Å; D177-S179 PolarHBondContact OD2-OG 2.73Å; S179-L181 PolarHBondContact O-N 3.21Å; S179-L181 VanDerWaalsContact O-N 3.07Å; S179-R182 WeakPolarHBondContact O-CB 3.32Å; S179-R182 PolarHBondContact O-N 3.12Å |
| 180 | M | 89.7 | Confident | 91.9 | Very high | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.015 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -58.8 | -25.6 | -178 | 76.6 | -173.2 | 172.4 | 0 | 0 | 113.3 | I152 F157 F173 F176 D177 Q178 M192 | I152-M180 HydrophobicContact CB-CB 3.92Å; I152-M180 HydrophobicContact CG2-CB 3.98Å; I152-M180 WeakPolarHBondContact O-CB 3.29Å; F157-M180 WeakPolarHBondContact CD2-O 3.49Å; F173-M180 HydrophobicContact CE1-SD 4.13Å; F176-M180 HydrophobicContact CD1-CE 4.36Å; F176-M180 HydrophobicContact CE1-CE 3.98Å; F176-M180 HydrophobicContact CE2-CE 4.24Å; F176-M180 HydrophobicContact CZ-CE 3.94Å; D177-M180 WeakPolarHBondContact O-CG 3.2Å; Q178-M180 PolarHBondContact O-N 2.92Å; M180-M192 HydrophobicContact CE-CE 4.08Å; M180-M192 HydrophobicContact CE-SD 3.88Å |
| 181 | L | 91.8 | Very high | 92 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -92.1 | -1.2 | -178.5 | -62 | -177.1 | 0 | 0 | 0 | 113.7 | L166 F176 Q178 S179 S183 V184 L187 L190 F205 F207 V208 | L166-L181 HydrophobicContact CD2-CD2 3.98Å; F176-L181 HydrophobicContact CE1-CD1 4.17Å; F176-L181 HydrophobicContact CZ-CD1 3.76Å; Q178-L181 PolarHBondContact O-N 3.35Å; S179-L181 PolarHBondContact O-N 3.21Å; S179-L181 VanDerWaalsContact O-N 3.07Å; L181-S183 PolarHBondContact O-N 3.32Å; L181-S183 VanDerWaalsContact O-N 3.15Å; L181-V184 HydrophobicContact CB-CG2 4.4Å; L181-V184 HydrophobicContact CD2-CG2 4.11Å; L181-V184 WeakPolarHBondContact O-CG2 3.35Å; L181-V184 PolarHBondContact O-N 3.02Å; L181-L187 HydrophobicContact CD2-CD2 4.38Å; L181-L190 HydrophobicContact CD1-CD2 3.92Å; L181-F205 HydrophobicContact CD1-CD1 4.49Å; L181-F207 WeakPolarHBondContact O-CB 3.22Å; L181-V208 HydrophobicContact CB-CG1 3.91Å; L181-V208 HydrophobicContact CD1-CG1 4.13Å; L181-V208 HydrophobicContact CD1-CG2 3.98Å; L181-V208 HydrophobicContact CD2-CG1 4.48Å; L181-V208 HydrophobicContact CG-CG1 4.4Å |
| 182 | R | 90.3 | Very high | 91.9 | Very high | 130 Ų | 130 | 51.7 Ų | 51.7 | 49% | 0.491 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -36.7 | -175.7 | 178.3 | -175.9 | -64.3 | -89.9 | 1.7 | 114 | S179 F207 | S179-R182 WeakPolarHBondContact O-CB 3.32Å; S179-R182 PolarHBondContact O-N 3.12Å; R182-F207 HydrophobicContact CB-CD1 4.47Å; R182-F207 HydrophobicContact CB-CD2 4.45Å; R182-F207 HydrophobicContact CB-CE1 4.49Å; R182-F207 HydrophobicContact CB-CE2 4.47Å; R182-F207 HydrophobicContact CB-CG 4.46Å; R182-F207 HydrophobicContact CB-CZ 4.49Å; R182-F207 HydrophobicContact CG-CD1 4.47Å; R182-F207 HydrophobicContact CG-CE1 4.25Å |
| 183 | S | 87.7 | Confident | 91.9 | Very high | 24 Ų | 24 | 45 Ų | 45 | 17% | 0.168 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -5.3 | -173.2 | -60.9 | 0 | 0 | 0 | 0 | 115.5 | F157 A158 L181 P185 | F157-S183 VanDerWaalsContact C-CB 3.47Å; F157-S183 WeakPolarHBondContact O-CB 3.47Å; A158-S183 WeakPolarHBondContact CA-OG 3.23Å; L181-S183 PolarHBondContact O-N 3.32Å; L181-S183 VanDerWaalsContact O-N 3.15Å; S183-P185 WeakPolarHBondContact O-CD 3.17Å |
| 184 | V | 90.9 | Very high | 92 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -118.8 | 52.4 | -171 | -68.3 | 0 | 0 | 0 | 0 | 113.6 | F157 I160 L163 L181 R186 L187 V208 | F157-V184 HydrophobicContact CB-CG1 3.6Å; F157-V184 HydrophobicContact CD2-CG1 4.27Å; F157-V184 HydrophobicContact CD2-CG2 4.48Å; F157-V184 HydrophobicContact CG-CG1 4.2Å; I160-V184 HydrophobicContact CG1-CG1 4.31Å; L163-V184 HydrophobicContact CB-CB 4.42Å; L163-V184 HydrophobicContact CB-CG1 3.97Å; L163-V184 HydrophobicContact CD2-CB 4.44Å; L163-V184 HydrophobicContact CD2-CG1 3.87Å; L181-V184 HydrophobicContact CB-CG2 4.4Å; L181-V184 HydrophobicContact CD2-CG2 4.11Å; L181-V184 WeakPolarHBondContact O-CG2 3.35Å; L181-V184 PolarHBondContact O-N 3.02Å; V184-R186 PolarHBondContact O-N 3.36Å; V184-L187 WeakPolarHBondContact O-CB 3.16Å; V184-L187 PolarHBondContact O-N 3.35Å; V184-L187 VanDerWaalsContact O-N 3.1Å; V184-V208 HydrophobicContact CG2-CG1 4.26Å | ||
| 185 | P | 90.2 | Very high | 92.1 | Very high | 66 Ų | 66 | 42.4 Ų | 42.4 | 43% | 0.429 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -11.2 | -170.1 | 29.8 | -37.7 | 0 | 0 | 0 | 115.2 | S183 F207 | S183-P185 WeakPolarHBondContact O-CD 3.17Å; P185-F207 VanDerWaalsContact CA-O 3.27Å; P185-F207 WeakPolarHBondContact CA-O 3.49Å; P185-F207 WeakPolarHBondContact CB-O 3.32Å |
| 186 | R | 91.4 | Very high | 92.3 | Very high | 148 Ų | 148 | 37.7 Ų | 37.7 | 56% | 0.558 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 0.1 | 177.7 | -68.5 | -179.4 | 171.6 | 171.6 | -2.8 | 114 | L163 L164 V184 K188 | L163-R186 CarbonylContact O-C 3.19Å; L164-R186 HydrophobicContact CD2-CB 4.22Å; L164-R186 WeakPolarHBondContact CD2-O 3.26Å; V184-R186 PolarHBondContact O-N 3.36Å; R186-K188 PolarHBondContact O-N 3.32Å |
| 187 | L | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -58.4 | 127.1 | -174.8 | -168.4 | 72.8 | 0 | 0 | 0 | 111.5 | L163 L166 L181 V184 L190 V208 E210 L211 | L163-L187 HydrophobicContact CD2-CD1 3.99Å; L163-L187 HydrophobicContact CG-CD1 4.03Å; L163-L187 WeakPolarHBondContact O-CA 3.16Å; L163-L187 PolarHBondContact O-N 2.85Å; L166-L187 HydrophobicContact CB-CD1 3.61Å; L166-L187 HydrophobicContact CB-CD2 4.12Å; L166-L187 HydrophobicContact CB-CG 4.49Å; L166-L187 HydrophobicContact CD2-CD2 4.25Å; L181-L187 HydrophobicContact CD2-CD2 4.38Å; V184-L187 WeakPolarHBondContact O-CB 3.16Å; V184-L187 PolarHBondContact O-N 3.35Å; V184-L187 VanDerWaalsContact O-N 3.1Å; L187-L190 HydrophobicContact CD2-CB 3.98Å; L187-L190 HydrophobicContact CD2-CD1 4.19Å; L187-L190 HydrophobicContact CD2-CG 4.46Å; L187-V208 HydrophobicContact CB-CB 4.32Å; L187-V208 HydrophobicContact CB-CG1 3.91Å; L187-V208 HydrophobicContact CD2-CG1 4.07Å; L187-E210 CarbonylContact O-C 3.07Å; L187-E210 VanDerWaalsContact O-C 3.27Å; L187-L211 HydrophobicContact CD2-CD1 4.12Å; L187-L211 HydrophobicContact CG-CD1 4.07Å; L187-L211 VanDerWaalsContact O-CA 3.25Å; L187-L211 WeakPolarHBondContact O-CA 3.26Å; L187-L211 PolarHBondContact O-N 2.73Å; L187-L211 VanDerWaalsContact O-N 3.17Å | ||
| 188 | K | 95.8 | Very high | 92.5 | Very high | 86 Ų | 86 | 39.8 Ų | 39.8 | 37% | 0.374 | 19% | 0.186 | S | C | . | . | trans | -104.7 | -30.5 | 179.8 | -65.6 | -175.4 | 177.4 | -177.8 | 0 | 113.1 | L164 R186 V212 R213 | L164-K188 HydrophobicContact CD2-CD 4.33Å; L164-K188 HydrophobicContact CD2-CG 4.33Å; L164-K188 CarbonylContact O-C 3.37Å; L164-K188 WeakPolarHBondContact O-CA 3.16Å; L164-K188 WeakPolarHBondContact O-CB 3.37Å; L164-K188 PolarHBondContact O-N 3.08Å; R186-K188 PolarHBondContact O-N 3.32Å; K188-V212 HydrophobicContact CB-CB 4.43Å; K188-V212 HydrophobicContact CB-CG2 4.13Å; K188-V212 HydrophobicContact CG-CG2 4.24Å; K188-V212 CarbonylContact O-C 3.21Å; K188-V212 WeakPolarHBondContact O-CA 3.24Å; K188-V212 WeakPolarHBondContact O-CB 3.3Å; K188-V212 PolarHBondContact O-N 2.82Å; K188-R213 PolarHBondContact O-N 2.76Å | ||
| 189 | V | 96.7 | Very high | 92.8 | Very high | 19 Ų | 19 | 40 Ų | 40 | 12% | 0.115 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 128 | -179.4 | -173.6 | 0 | 0 | 0 | 0 | 109.9 | L164 Y165 L166 R213 | L164-V189 PolarHBondContact O-N 2.83Å; Y165-V189 HydrophobicContact CD1-CB 3.68Å; Y165-V189 HydrophobicContact CD1-CG2 3.38Å; Y165-V189 HydrophobicContact CE1-CB 4.43Å; Y165-V189 HydrophobicContact CE1-CG2 3.63Å; Y165-V189 HydrophobicContact CG-CB 4.48Å; L166-V189 PolarHBondContact N-O 3.43Å; V189-R213 WeakPolarHBondContact CA-O 3.31Å; V189-R213 HydrophobicContact CG1-CB 4.18Å; V189-R213 HydrophobicContact CG1-CG 4.24Å; V189-R213 HydrophobicContact CG2-CB 4.15Å |
| 190 | L | 96.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 112.7 | 175.8 | 179.3 | 58.1 | 0 | 0 | 0 | 108.9 | L166 L181 L187 M192 F205 L211 R213 L214 E215 | L166-L190 HydrophobicContact CB-CD1 4.13Å; L166-L190 HydrophobicContact CD2-CD1 3.85Å; L166-L190 HydrophobicContact CG-CD1 3.87Å; L166-L190 WeakPolarHBondContact O-CA 3.22Å; L181-L190 HydrophobicContact CD1-CD2 3.92Å; L187-L190 HydrophobicContact CD2-CB 3.98Å; L187-L190 HydrophobicContact CD2-CD1 4.19Å; L187-L190 HydrophobicContact CD2-CG 4.46Å; L190-M192 HydrophobicContact CD1-CG 3.69Å; L190-M192 HydrophobicContact CD1-SD 3.74Å; L190-M192 HydrophobicContact CD2-SD 4.33Å; L190-M192 HydrophobicContact CG-CG 3.91Å; L190-M192 HydrophobicContact CG-SD 4.15Å; L190-F205 HydrophobicContact CD2-CD1 4.25Å; L190-F205 HydrophobicContact CD2-CE1 3.98Å; L190-L211 HydrophobicContact CB-CD1 3.79Å; L190-L211 HydrophobicContact CB-CD2 4.29Å; L190-R213 PolarHBondContact N-O 3.3Å; L190-L214 HydrophobicContact CB-CD1 4.21Å; L190-L214 HydrophobicContact CD2-CD1 4.08Å; L190-L214 HydrophobicContact CG-CD1 4.19Å; L190-L214 CarbonylContact O-C 3.42Å; L190-L214 WeakPolarHBondContact O-CA 3.15Å; L190-E215 PolarHBondContact O-N 3.48Å |
| 191 | A | 96.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 121.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | L166 Y167 L168 S169 E215 | L166-A191 PolarHBondContact O-N 3.46Å; Y167-A191 CarbonylContact C-O 3.16Å; Y167-A191 WeakPolarHBondContact CA-O 3.15Å; Y167-A191 HydrophobicContact CD1-CB 3.79Å; Y167-A191 HydrophobicContact CE1-CB 4.5Å; L168-A191 PolarHBondContact N-O 2.87Å; S169-A191 PolarHBondContact N-O 3.09Å; A191-E215 CarbonylContact C-O 3.14Å; A191-E215 WeakPolarHBondContact CA-O 3.27Å; A191-E215 HydrophobicContact CB-CB 4.08Å; A191-E215 HydrophobicContact CB-CG 4.47Å |
| 192 | M | 94.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -141.7 | 31.1 | -174 | -44.2 | -157.5 | -54.2 | 0 | 0 | 112.6 | L168 F176 M180 L190 N195 I197 E215 M216 C219 | L168-M192 HydrophobicContact CB-CB 4.39Å; L168-M192 HydrophobicContact CB-CG 4.04Å; L168-M192 HydrophobicContact CB-SD 4.36Å; L168-M192 HydrophobicContact CD1-CG 4.33Å; L168-M192 HydrophobicContact CD1-SD 3.76Å; F176-M192 HydrophobicContact CD2-CE 3.53Å; F176-M192 HydrophobicContact CE2-CE 3.33Å; F176-M192 HydrophobicContact CZ-CE 4.3Å; M180-M192 HydrophobicContact CE-CE 4.08Å; M180-M192 HydrophobicContact CE-SD 3.88Å; L190-M192 HydrophobicContact CD1-CG 3.69Å; L190-M192 HydrophobicContact CD1-SD 3.74Å; L190-M192 HydrophobicContact CD2-SD 4.33Å; L190-M192 HydrophobicContact CG-CG 3.91Å; L190-M192 HydrophobicContact CG-SD 4.15Å; M192-N195 PolarHBondContact O-ND2 3.15Å; M192-I197 HydrophobicContact CE-CD1 3.9Å; M192-E215 PolarHBondContact N-O 2.7Å; M192-M216 HydrophobicContact CB-CG 4.43Å; M192-M216 HydrophobicContact CE-CE 3.86Å; M192-M216 HydrophobicContact CE-SD 4.19Å; M192-C219 PolarHBondContact O-SG 3.08Å | ||
| 193 | G | 94.1 | Very high | 93 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | trans | -60 | 167.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | S169 S170 N195 P217 | S169-G193 CarbonylContact C-O 3.5Å; S169-G193 WeakPolarHBondContact CA-O 3.5Å; S169-G193 WeakPolarHBondContact CB-O 3.15Å; S169-G193 PolarHBondContact OG-N 2.93Å; S170-G193 PolarHBondContact N-O 3.42Å; G193-N195 PolarHBondContact O-N 3.46Å; G193-N195 VanDerWaalsContact O-N 3.17Å; G193-N195 PolarHBondContact O-ND2 3.36Å; G193-N195 VanDerWaalsContact O-ND2 3.16Å; G193-P217 CarbonylContact C-O 3.12Å; G193-P217 WeakPolarHBondContact CA-O 3.28Å | ||
| 194 | N | 95.2 | Very high | 93.2 | Very high | 80 Ų | 80 | 37 Ų | 37 | 43% | 0.428 | 19% | 0.186 | S | C | . | . | S | Bend | trans | 54.3 | 29.7 | 179.2 | -56 | -38.9 | 0 | 0 | 0 | 114.9 | S170 P217 N218 | S170-N194 PolarHBondContact OG-ND2 2.87Å; N194-P217 PolarHBondContact N-O 2.79Å; N194-N218 WeakPolarHBondContact CA-O 3.36Å; N194-N218 WeakPolarHBondContact OD1-CB 3.39Å; N194-N218 PolarHBondContact OD1-ND2 3.17Å |
| 195 | N | 92.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -114.3 | 132.3 | 176.4 | -80.3 | -68.7 | 0 | 0 | 0 | 110.1 | L168 N171 R172 F173 M192 G193 I197 C219 | L168-N195 PolarHBondContact O-ND2 3.01Å; N171-N195 WeakPolarHBondContact CA-OD1 2.98Å; N171-N195 WeakPolarHBondContact CB-OD1 3.43Å; N171-N195 PolarHBondContact N-OD1 3.29Å; N171-N195 PolarHBondContact O-OD1 3.26Å; R172-N195 PolarHBondContact N-OD1 3.33Å; F173-N195 HydrophobicContact CB-CB 4.19Å; F173-N195 WeakPolarHBondContact CD2-OD1 3.11Å; F173-N195 PolarHBondContact N-OD1 3Å; M192-N195 PolarHBondContact O-ND2 3.15Å; G193-N195 PolarHBondContact O-N 3.46Å; G193-N195 VanDerWaalsContact O-N 3.17Å; G193-N195 PolarHBondContact O-ND2 3.36Å; G193-N195 VanDerWaalsContact O-ND2 3.16Å; N195-I197 HydrophobicContact CB-CD1 4.07Å; N195-I197 HydrophobicContact CB-CG1 4.08Å; N195-I197 PolarHBondContact O-N 2.84Å; N195-C219 CarbonylContact O-C 3.1Å; N195-C219 VanDerWaalsContact O-C 3.32Å; N195-C219 WeakPolarHBondContact O-CA 3.46Å; N195-C219 WeakPolarHBondContact O-CB 3.29Å; N195-C219 PolarHBondContact O-SG 3.45Å | ||
| 196 | P | 92.7 | Very high | 93.4 | Very high | 51 Ų | 51 | 41.4 Ų | 41.4 | 33% | 0.331 | 19% | 0.194 | S | C | . | . | trans | -68.8 | 30.1 | -171.3 | 27.3 | -34.8 | 0 | 0 | 0 | 117.6 | F173 E174 R198 C219 | F173-P196 CarbonylContact O-C 3.5Å; F173-P196 WeakPolarHBondContact O-CD 3.27Å; F173-P196 WeakPolarHBondContact O-CG 3.34Å; F173-P196 VanDerWaalsContact O-N 3.15Å; E174-P196 HydrophobicContact CG-CG 4.11Å; P196-R198 VanDerWaalsContact O-CG 3.29Å; P196-R198 WeakPolarHBondContact O-CG 3.38Å; P196-R198 PolarHBondContact O-N 2.98Å; P196-R198 VanDerWaalsContact O-N 3.15Å; P196-C219 CarbonylContact C-O 3.5Å; P196-C219 VanDerWaalsContact C-O 3.3Å | ||
| 197 | I | 93.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | trans | -64.6 | 102.5 | -179.1 | -58 | 173.3 | 0 | 0 | 0 | 111.3 | F173 E174 F176 M192 N195 L200 M216 C219 L221 | F173-I197 HydrophobicContact CB-CD1 3.94Å; F173-I197 HydrophobicContact CB-CG1 3.86Å; F173-I197 VanDerWaalsContact O-CG1 3.26Å; F173-I197 WeakPolarHBondContact O-CG1 3.35Å; F173-I197 PolarHBondContact O-N 3.46Å; E174-I197 WeakPolarHBondContact O-CA 3.23Å; F176-I197 HydrophobicContact CB-CG2 3.93Å; M192-I197 HydrophobicContact CE-CD1 3.9Å; N195-I197 HydrophobicContact CB-CD1 4.07Å; N195-I197 HydrophobicContact CB-CG1 4.08Å; N195-I197 PolarHBondContact O-N 2.84Å; I197-L200 HydrophobicContact CG2-CD2 4.38Å; I197-M216 HydrophobicContact CB-CE 4.35Å; I197-M216 HydrophobicContact CD1-CE 3.69Å; I197-M216 HydrophobicContact CG2-CE 4.14Å; I197-C219 CarbonylContact C-O 3.4Å; I197-C219 PolarHBondContact N-O 3.18Å; I197-C219 VanDerWaalsContact N-O 3.14Å; I197-C219 VanDerWaalsContact O-O 3.08Å; I197-L221 VanDerWaalsContact O-CA 3.27Å; I197-L221 WeakPolarHBondContact O-CA 3.23Å; I197-L221 PolarHBondContact O-N 3.02Å | ||
| 198 | R | 92.5 | Very high | 93.4 | Very high | 133 Ų | 133 | 36.8 Ų | 36.8 | 50% | 0.502 | 18% | 0.178 | S | C | . | . | trans | -81.3 | -17.9 | -172.5 | -52.9 | -175 | -169.8 | 160.7 | 8.9 | 115 | P196 R222 | P196-R198 VanDerWaalsContact O-CG 3.29Å; P196-R198 WeakPolarHBondContact O-CG 3.38Å; P196-R198 PolarHBondContact O-N 2.98Å; P196-R198 VanDerWaalsContact O-N 3.15Å; R198-R222 PolarHBondContact O-N 3.03Å | ||
| 199 | H | 93.3 | Very high | 93.2 | Very high | 78 Ų | 78 | 38 Ų | 38 | 36% | 0.361 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 149.6 | -170.9 | -177.9 | 53.8 | 0 | 0 | 0 | 112.2 | S223 | H199-S223 WeakPolarHBondContact CA-O 3.44Å; H199-S223 PolarHBondContact ND1-O 3.24Å; H199-S223 VanDerWaalsContact ND1-O 3.13Å; H199-S223 PolarHBondContact ND1-OG 3.1Å |
| 200 | L | 94.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 131.1 | 168.9 | -68.1 | 177.1 | 0 | 0 | 0 | 110.3 | F176 I197 F205 M216 L221 S223 I224 E225 T228 | F176-L200 HydrophobicContact CB-CD2 3.71Å; F176-L200 HydrophobicContact CD2-CD2 3.31Å; F176-L200 HydrophobicContact CE2-CD2 4.02Å; F176-L200 HydrophobicContact CG-CD2 3.64Å; I197-L200 HydrophobicContact CG2-CD2 4.38Å; L200-F205 HydrophobicContact CD1-CE2 4.06Å; L200-F205 HydrophobicContact CD1-CZ 4.08Å; L200-F205 HydrophobicContact CD2-CZ 4.34Å; L200-M216 HydrophobicContact CD1-SD 4.09Å; L200-M216 HydrophobicContact CD2-CE 4.17Å; L200-M216 HydrophobicContact CD2-SD 4.39Å; L200-L221 HydrophobicContact CB-CD1 4.43Å; L200-L221 HydrophobicContact CD1-CD1 4.38Å; L200-L221 HydrophobicContact CD1-CD2 3.82Å; L200-L221 HydrophobicContact CG-CD1 3.87Å; L200-L221 HydrophobicContact CG-CD2 4.23Å; L200-S223 PolarHBondContact N-O 2.89Å; L200-S223 VanDerWaalsContact N-O 3.13Å; L200-I224 HydrophobicContact CB-CG1 4.35Å; L200-I224 HydrophobicContact CB-CG2 4.31Å; L200-I224 HydrophobicContact CD1-CG1 4.31Å; L200-I224 WeakPolarHBondContact O-CA 3.47Å; L200-E225 PolarHBondContact O-N 3.06Å; L200-T228 HydrophobicContact CB-CG2 4.21Å |
| 201 | S | 92.6 | Very high | 92.8 | Very high | 37 Ų | 37 | 40.6 Ų | 40.6 | 26% | 0.259 | 20% | 0.196 | S | C | . | . | trans | -97.3 | 167.2 | -179.6 | 67.4 | 0 | 0 | 0 | 0 | 112.3 | G203 S204 E225 T228 | S201-G203 PolarHBondContact O-N 2.59Å; S201-G203 VanDerWaalsContact O-N 3.14Å; S201-S204 PolarHBondContact N-OG 2.72Å; S201-S204 VanDerWaalsContact N-OG 3.07Å; S201-S204 WeakPolarHBondContact O-CB 3.36Å; S201-S204 PolarHBondContact O-N 3.48Å; S201-S204 VanDerWaalsContact O-N 3.14Å; S201-S204 PolarHBondContact O-OG 3.01Å; S201-E225 WeakPolarHBondContact CA-OE2 3.48Å; S201-E225 WeakPolarHBondContact CB-OE2 3.31Å; S201-T228 WeakPolarHBondContact O-CG2 3.21Å; S201-T228 PolarHBondContact O-OG1 2.63Å | ||
| 202 | V | 90.4 | Very high | 92.8 | Very high | 61 Ų | 61 | 42.5 Ų | 42.5 | 37% | 0.37 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -29.9 | 177.8 | -174.6 | 0 | 0 | 0 | 0 | 111.6 | E225 Q226 T228 | V202-E225 HydrophobicContact CG2-CB 3.52Å; V202-E225 HydrophobicContact CG2-CG 4.45Å; V202-E225 WeakPolarHBondContact CG2-OE2 2.93Å; V202-E225 PolarHBondContact N-OE2 3.18Å; V202-Q226 WeakPolarHBondContact CG2-O 3.11Å; V202-T228 WeakPolarHBondContact CA-OG1 3.15Å; V202-T228 PolarHBondContact N-OG1 3.29Å |
| 203 | G | 86.9 | Confident | 92.9 | Very high | 15 Ų | 15 | 47 Ų | 47 | 16% | 0.155 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -18.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q178 S201 F205 R206 | Q178-G203 PolarHBondContact OE1-O 3.19Å; S201-G203 PolarHBondContact O-N 2.59Å; S201-G203 VanDerWaalsContact O-N 3.14Å; G203-F205 PolarHBondContact O-N 3.02Å; G203-F205 VanDerWaalsContact O-N 3.12Å; G203-R206 WeakPolarHBondContact O-CB 3.48Å; G203-R206 PolarHBondContact O-N 3.03Å |
| 204 | S | 92.1 | Very high | 93 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.3 | -51.4 | -166.6 | -66.7 | 0 | 0 | 0 | 0 | 114.2 | F176 S201 | F176-S204 WeakPolarHBondContact CE1-O 3.25Å; S201-S204 PolarHBondContact N-OG 2.72Å; S201-S204 VanDerWaalsContact N-OG 3.07Å; S201-S204 WeakPolarHBondContact O-CB 3.36Å; S201-S204 PolarHBondContact O-N 3.48Å; S201-S204 VanDerWaalsContact O-N 3.14Å; S201-S204 PolarHBondContact O-OG 3.01Å |
| 205 | F | 93.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | 12.3 | -176 | -50.5 | -73.8 | 0 | 0 | 0 | 114.2 | F176 L181 L190 L200 G203 F207 V208 L214 M216 T228 F229 T231 I232 | F176-F205 HydrophobicContact CE2-CD1 4.2Å; F176-F205 AromaticContact CE2-CE1 3.41Å; F176-F205 HydrophobicContact CE2-CE1 3.41Å; F176-F205 VanDerWaalsContact CE2-CE1 3.41Å; F176-F205 AromaticContact CE2-CZ 3.77Å; F176-F205 HydrophobicContact CE2-CZ 3.77Å; F176-F205 AromaticContact CZ-CD1 3.78Å; F176-F205 HydrophobicContact CZ-CD1 3.78Å; F176-F205 AromaticContact CZ-CE1 3.47Å; F176-F205 HydrophobicContact CZ-CE1 3.47Å; F176-F205 VanDerWaalsContact CZ-CE1 3.47Å; F176-F205 HydrophobicContact CZ-CZ 4.13Å; L181-F205 HydrophobicContact CD1-CD1 4.49Å; L190-F205 HydrophobicContact CD2-CD1 4.25Å; L190-F205 HydrophobicContact CD2-CE1 3.98Å; L200-F205 HydrophobicContact CD1-CE2 4.06Å; L200-F205 HydrophobicContact CD1-CZ 4.08Å; L200-F205 HydrophobicContact CD2-CZ 4.34Å; G203-F205 PolarHBondContact O-N 3.02Å; G203-F205 VanDerWaalsContact O-N 3.12Å; F205-F207 PolarHBondContact O-N 2.93Å; F205-V208 HydrophobicContact CB-CG2 3.9Å; F205-V208 HydrophobicContact CD1-CG2 4.31Å; F205-V208 WeakPolarHBondContact O-CG2 3.43Å; F205-V208 PolarHBondContact O-N 2.71Å; F205-L214 HydrophobicContact CE1-CD1 3.66Å; F205-L214 HydrophobicContact CE1-CD2 4.03Å; F205-L214 HydrophobicContact CE2-CD2 3.96Å; F205-L214 HydrophobicContact CZ-CD1 3.92Å; F205-L214 HydrophobicContact CZ-CD2 3.56Å; F205-L214 HydrophobicContact CZ-CG 4.41Å; F205-M216 HydrophobicContact CZ-SD 4.11Å; F205-T228 HydrophobicContact CD2-CG2 3.67Å; F205-T228 HydrophobicContact CE2-CG2 3.65Å; F205-F229 HydrophobicContact CD2-CD1 4.31Å; F205-F229 HydrophobicContact CD2-CE1 4.47Å; F205-F229 HydrophobicContact CE2-CD1 4.09Å; F205-F229 AromaticContact CE2-CE1 3.8Å; F205-F229 HydrophobicContact CE2-CE1 3.8Å; F205-T231 WeakPolarHBondContact CB-OG1 3.39Å; F205-I232 HydrophobicContact CB-CG2 3.57Å; F205-I232 HydrophobicContact CD2-CD1 4.49Å; F205-I232 HydrophobicContact CG-CD1 4.46Å; F205-I232 HydrophobicContact CG-CG2 4.46Å |
| 206 | R | 91.4 | Very high | 93.3 | Very high | 157 Ų | 157 | 45.4 Ų | 45.4 | 59% | 0.592 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -30.6 | -172.9 | -179.1 | 176.3 | -179.4 | 174.2 | 2.1 | 115.1 | G203 Q209 | G203-R206 WeakPolarHBondContact O-CB 3.48Å; G203-R206 PolarHBondContact O-N 3.03Å; R206-Q209 PolarHBondContact O-NE2 3.35Å |
| 207 | F | 91.8 | Very high | 93.4 | Very high | 51 Ų | 51 | 44.6 Ų | 44.6 | 22% | 0.224 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -21 | -177.1 | -60 | -73.5 | 0 | 0 | 0 | 114.1 | Q178 L181 R182 P185 F205 | Q178-F207 HydrophobicContact CB-CE2 4.47Å; Q178-F207 VanDerWaalsContact O-CD2 3.27Å; Q178-F207 WeakPolarHBondContact O-CD2 3.36Å; Q178-F207 WeakPolarHBondContact O-CE2 3.47Å; L181-F207 WeakPolarHBondContact O-CB 3.22Å; R182-F207 HydrophobicContact CB-CD1 4.47Å; R182-F207 HydrophobicContact CB-CD2 4.45Å; R182-F207 HydrophobicContact CB-CE1 4.49Å; R182-F207 HydrophobicContact CB-CE2 4.47Å; R182-F207 HydrophobicContact CB-CG 4.46Å; R182-F207 HydrophobicContact CB-CZ 4.49Å; R182-F207 HydrophobicContact CG-CD1 4.47Å; R182-F207 HydrophobicContact CG-CE1 4.25Å; P185-F207 VanDerWaalsContact CA-O 3.27Å; P185-F207 WeakPolarHBondContact CA-O 3.49Å; P185-F207 WeakPolarHBondContact CB-O 3.32Å; F205-F207 PolarHBondContact O-N 2.93Å |
| 208 | V | 93 | Very high | 93.5 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -108.4 | 51.4 | -168.9 | -69.2 | 0 | 0 | 0 | 0 | 112.8 | L181 V184 L187 F205 E210 L211 I232 | L181-V208 HydrophobicContact CB-CG1 3.91Å; L181-V208 HydrophobicContact CD1-CG1 4.13Å; L181-V208 HydrophobicContact CD1-CG2 3.98Å; L181-V208 HydrophobicContact CD2-CG1 4.48Å; L181-V208 HydrophobicContact CG-CG1 4.4Å; V184-V208 HydrophobicContact CG2-CG1 4.26Å; L187-V208 HydrophobicContact CB-CB 4.32Å; L187-V208 HydrophobicContact CB-CG1 3.91Å; L187-V208 HydrophobicContact CD2-CG1 4.07Å; F205-V208 HydrophobicContact CB-CG2 3.9Å; F205-V208 HydrophobicContact CD1-CG2 4.31Å; F205-V208 WeakPolarHBondContact O-CG2 3.43Å; F205-V208 PolarHBondContact O-N 2.71Å; V208-E210 PolarHBondContact O-N 2.79Å; V208-L211 VanDerWaalsContact O-CB 3.31Å; V208-L211 WeakPolarHBondContact O-CB 3.31Å; V208-L211 PolarHBondContact O-N 3.26Å; V208-I232 HydrophobicContact CG2-CG2 4.28Å; V208-I232 WeakPolarHBondContact O-CG2 3.36Å | ||
| 209 | Q | 91.3 | Very high | 93.5 | Very high | 112 Ų | 112 | 42.1 Ų | 42.1 | 52% | 0.523 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -14.4 | -169.4 | -51.9 | -176 | 5.6 | 0 | 0 | 114.2 | R206 L211 T231 | R206-Q209 PolarHBondContact O-NE2 3.35Å; Q209-L211 VanDerWaalsContact C-N 3.32Å; Q209-T231 WeakPolarHBondContact CG-O 3.18Å |
| 210 | E | 92.3 | Very high | 93.5 | Very high | 73 Ų | 73 | 39.7 Ų | 39.7 | 34% | 0.341 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 2.4 | 173.7 | -63.1 | -60 | 126.3 | 0 | 0 | 114.3 | L187 V208 V212 K234 | L187-E210 CarbonylContact O-C 3.07Å; L187-E210 VanDerWaalsContact O-C 3.27Å; V208-E210 PolarHBondContact O-N 2.79Å; E210-V212 PolarHBondContact O-N 3.04Å; E210-K234 IonicContact OE1-NZ 3.91Å; E210-K234 PolarHBondContact OE1-NZ 3.01Å; E210-K234 IonicContact OE2-NZ 2.66Å; E210-K234 PolarHBondContact OE2-NZ 2.79Å |
| 211 | L | 94.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -62.8 | 124.9 | -173.9 | -158.6 | 75.9 | 0 | 0 | 0 | 112 | L187 L190 V208 Q209 L214 I232 K234 V235 | L187-L211 HydrophobicContact CD2-CD1 4.12Å; L187-L211 HydrophobicContact CG-CD1 4.07Å; L187-L211 VanDerWaalsContact O-CA 3.25Å; L187-L211 WeakPolarHBondContact O-CA 3.26Å; L187-L211 PolarHBondContact O-N 2.73Å; L187-L211 VanDerWaalsContact O-N 3.17Å; L190-L211 HydrophobicContact CB-CD1 3.79Å; L190-L211 HydrophobicContact CB-CD2 4.29Å; V208-L211 VanDerWaalsContact O-CB 3.31Å; V208-L211 WeakPolarHBondContact O-CB 3.31Å; V208-L211 PolarHBondContact O-N 3.26Å; Q209-L211 VanDerWaalsContact C-N 3.32Å; L211-L214 HydrophobicContact CD2-CB 3.91Å; L211-L214 HydrophobicContact CD2-CD1 4.18Å; L211-I232 HydrophobicContact CB-CB 4.22Å; L211-I232 HydrophobicContact CB-CG2 3.98Å; L211-I232 HydrophobicContact CD2-CD1 3.88Å; L211-K234 CarbonylContact O-C 3.59Å; L211-K234 VanDerWaalsContact O-C 3.23Å; L211-V235 WeakPolarHBondContact O-CA 3.33Å; L211-V235 PolarHBondContact O-N 3.03Å; L211-V235 VanDerWaalsContact O-N 3.09Å | ||
| 212 | V | 95.4 | Very high | 93.5 | Very high | 42 Ų | 42 | 44.8 Ų | 44.8 | 26% | 0.255 | 21% | 0.213 | S | C | . | . | trans | -101.7 | -32.8 | 179.2 | -177.9 | 0 | 0 | 0 | 0 | 111.1 | K188 E210 Q236 V237 | K188-V212 HydrophobicContact CB-CB 4.43Å; K188-V212 HydrophobicContact CB-CG2 4.13Å; K188-V212 HydrophobicContact CG-CG2 4.24Å; K188-V212 CarbonylContact O-C 3.21Å; K188-V212 WeakPolarHBondContact O-CA 3.24Å; K188-V212 WeakPolarHBondContact O-CB 3.3Å; K188-V212 PolarHBondContact O-N 2.82Å; E210-V212 PolarHBondContact O-N 3.04Å; V212-Q236 HydrophobicContact CG1-CB 3.91Å; V212-Q236 HydrophobicContact CG1-CG 3.96Å; V212-Q236 WeakPolarHBondContact O-CA 3.21Å; V212-Q236 PolarHBondContact O-N 3.45Å; V212-V237 PolarHBondContact O-N 3.28Å | ||
| 213 | R | 97.3 | Very high | 93.6 | Very high | 94 Ų | 94 | 44.7 Ų | 44.7 | 36% | 0.355 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 126.2 | -178.2 | -179.8 | 165.4 | -176.3 | 115.5 | 4.5 | 111.9 | K188 V189 L190 E215 V237 | K188-R213 PolarHBondContact O-N 2.76Å; V189-R213 WeakPolarHBondContact CA-O 3.31Å; V189-R213 HydrophobicContact CG1-CB 4.18Å; V189-R213 HydrophobicContact CG1-CG 4.24Å; V189-R213 HydrophobicContact CG2-CB 4.15Å; L190-R213 PolarHBondContact N-O 3.3Å; R213-E215 HydrophobicContact CG-CG 4.26Å; R213-E215 IonicContact CZ-OE1 3.54Å; R213-E215 IonicContact NE-OE1 3.8Å; R213-E215 PolarHBondContact NE-OE1 3.5Å; R213-E215 IonicContact NH2-OE1 2.68Å; R213-E215 PolarHBondContact NH2-OE1 2.73Å; R213-V237 CarbonylContact C-O 2.89Å; R213-V237 VanDerWaalsContact CA-O 3.31Å; R213-V237 WeakPolarHBondContact CA-O 3.16Å; R213-V237 HydrophobicContact CB-CB 4.3Å; R213-V237 HydrophobicContact CG-CB 3.98Å; R213-V237 HydrophobicContact CG-CG1 4.29Å |
| 214 | L | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 127.6 | 174.4 | 178.3 | 63.4 | 0 | 0 | 0 | 109.6 | L190 F205 L211 M216 F229 I232 V237 I238 V239 | L190-L214 HydrophobicContact CB-CD1 4.21Å; L190-L214 HydrophobicContact CD2-CD1 4.08Å; L190-L214 HydrophobicContact CG-CD1 4.19Å; L190-L214 CarbonylContact O-C 3.42Å; L190-L214 WeakPolarHBondContact O-CA 3.15Å; F205-L214 HydrophobicContact CE1-CD1 3.66Å; F205-L214 HydrophobicContact CE1-CD2 4.03Å; F205-L214 HydrophobicContact CE2-CD2 3.96Å; F205-L214 HydrophobicContact CZ-CD1 3.92Å; F205-L214 HydrophobicContact CZ-CD2 3.56Å; F205-L214 HydrophobicContact CZ-CG 4.41Å; L211-L214 HydrophobicContact CD2-CB 3.91Å; L211-L214 HydrophobicContact CD2-CD1 4.18Å; L214-M216 HydrophobicContact CD1-CG 4.07Å; L214-M216 HydrophobicContact CD1-SD 4.18Å; L214-M216 HydrophobicContact CG-CG 4.44Å; L214-F229 HydrophobicContact CD2-CD1 4.25Å; L214-F229 HydrophobicContact CD2-CE1 3.66Å; L214-I232 HydrophobicContact CD2-CD1 4.45Å; L214-V237 PolarHBondContact N-O 3.1Å; L214-I238 CarbonylContact O-C 3.22Å; L214-I238 WeakPolarHBondContact O-CA 3.47Å; L214-V239 PolarHBondContact O-N 3.16Å |
| 215 | E | 96.8 | Very high | 93.9 | Very high | 48 Ų | 48 | 48.9 Ų | 48.9 | 22% | 0.224 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 119 | 172.7 | -50.9 | -175.1 | 172.6 | 0 | 0 | 110.8 | L190 A191 M192 R213 P217 V239 | L190-E215 PolarHBondContact O-N 3.48Å; A191-E215 CarbonylContact C-O 3.14Å; A191-E215 WeakPolarHBondContact CA-O 3.27Å; A191-E215 HydrophobicContact CB-CB 4.08Å; A191-E215 HydrophobicContact CB-CG 4.47Å; M192-E215 PolarHBondContact N-O 2.7Å; R213-E215 HydrophobicContact CG-CG 4.26Å; R213-E215 IonicContact CZ-OE1 3.54Å; R213-E215 IonicContact NE-OE1 3.8Å; R213-E215 PolarHBondContact NE-OE1 3.5Å; R213-E215 IonicContact NH2-OE1 2.68Å; R213-E215 PolarHBondContact NH2-OE1 2.73Å; E215-P217 VanDerWaalsContact C-CD 3.46Å; E215-V239 HydrophobicContact CB-CB 4.23Å; E215-V239 HydrophobicContact CG-CB 4.17Å; E215-V239 HydrophobicContact CG-CG2 4.26Å |
| 216 | M | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -136.5 | 51.6 | 171.1 | -58 | -176.4 | 64 | 0 | 0 | 111.4 | F176 M192 I197 L200 F205 L214 C219 V239 L240 N243 | F176-M216 HydrophobicContact CD2-CE 4.16Å; F176-M216 HydrophobicContact CE2-SD 4.42Å; M192-M216 HydrophobicContact CB-CG 4.43Å; M192-M216 HydrophobicContact CE-CE 3.86Å; M192-M216 HydrophobicContact CE-SD 4.19Å; I197-M216 HydrophobicContact CB-CE 4.35Å; I197-M216 HydrophobicContact CD1-CE 3.69Å; I197-M216 HydrophobicContact CG2-CE 4.14Å; L200-M216 HydrophobicContact CD1-SD 4.09Å; L200-M216 HydrophobicContact CD2-CE 4.17Å; L200-M216 HydrophobicContact CD2-SD 4.39Å; F205-M216 HydrophobicContact CZ-SD 4.11Å; L214-M216 HydrophobicContact CD1-CG 4.07Å; L214-M216 HydrophobicContact CD1-SD 4.18Å; L214-M216 HydrophobicContact CG-CG 4.44Å; M216-C219 PolarHBondContact O-SG 2.73Å; M216-V239 PolarHBondContact N-O 3.27Å; M216-L240 HydrophobicContact CB-CD2 4.21Å; M216-N243 PolarHBondContact O-ND2 3.31Å | ||
| 217 | P | 95.6 | Very high | 93.5 | Very high | 34 Ų | 34 | 47.8 Ų | 47.8 | 22% | 0.221 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 146.1 | 177.8 | 30.2 | -35.7 | 0 | 0 | 0 | 111.9 | G193 N194 E215 C219 V239 S241 | G193-P217 CarbonylContact C-O 3.12Å; G193-P217 WeakPolarHBondContact CA-O 3.28Å; N194-P217 PolarHBondContact N-O 2.79Å; E215-P217 VanDerWaalsContact C-CD 3.46Å; P217-C219 VanDerWaalsContact C-N 3.33Å; P217-C219 PolarHBondContact O-N 2.04Å; P217-V239 HydrophobicContact CB-CG1 4.18Å; P217-V239 HydrophobicContact CG-CG1 4.31Å; P217-S241 CarbonylContact C-O 3.43Å; P217-S241 WeakPolarHBondContact CA-O 3.41Å |
| 218 | N | 95.5 | Very high | 93.6 | Very high | 81 Ų | 81 | 45.4 Ų | 45.4 | 43% | 0.433 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 38.1 | 174.7 | -167.7 | 44.5 | 0 | 0 | 0 | 114.3 | N194 S241 R242 | N194-N218 WeakPolarHBondContact CA-O 3.36Å; N194-N218 WeakPolarHBondContact OD1-CB 3.39Å; N194-N218 PolarHBondContact OD1-ND2 3.17Å; N218-S241 PolarHBondContact N-O 2.9Å; N218-R242 WeakPolarHBondContact CA-O 3.39Å; N218-R242 HydrophobicContact CB-CB 3.89Å |
| 219 | C | 92.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -94.8 | 3 | -178.7 | -66.7 | 0 | 0 | 0 | 0 | 114.9 | M192 N195 P196 I197 M216 P217 L221 N243 | M192-C219 PolarHBondContact O-SG 3.08Å; N195-C219 CarbonylContact O-C 3.1Å; N195-C219 VanDerWaalsContact O-C 3.32Å; N195-C219 WeakPolarHBondContact O-CA 3.46Å; N195-C219 WeakPolarHBondContact O-CB 3.29Å; N195-C219 PolarHBondContact O-SG 3.45Å; P196-C219 CarbonylContact C-O 3.5Å; P196-C219 VanDerWaalsContact C-O 3.3Å; I197-C219 CarbonylContact C-O 3.4Å; I197-C219 PolarHBondContact N-O 3.18Å; I197-C219 VanDerWaalsContact N-O 3.14Å; I197-C219 VanDerWaalsContact O-O 3.08Å; M216-C219 PolarHBondContact O-SG 2.73Å; P217-C219 VanDerWaalsContact C-N 3.33Å; P217-C219 PolarHBondContact O-N 2.04Å; C219-L221 PolarHBondContact O-N 3.13Å; C219-N243 VanDerWaalsContact C-OD1 3.26Å; C219-N243 VanDerWaalsContact CA-OD1 3.24Å; C219-N243 WeakPolarHBondContact CA-OD1 3.2Å; C219-N243 WeakPolarHBondContact CB-OD1 3.42Å; C219-N243 PolarHBondContact N-OD1 3.39Å |
| 220 | A | 93.3 | Very high | 93.7 | Very high | 28 Ų | 28 | 43.2 Ų | 43.2 | 23% | 0.231 | 22% | 0.217 | C | C | . | . | trans | 57 | 21.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | R222 N243 Q244 | A220-R222 PolarHBondContact O-N 3.01Å; A220-N243 PolarHBondContact N-OD1 2.82Å; A220-Q244 HydrophobicContact CB-CG 4.44Å | ||
| 221 | L | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -61.4 | 123.1 | -179.4 | 178.1 | 62 | 0 | 0 | 0 | 111.7 | I197 L200 C219 S223 I224 L240 N243 Q244 L245 | I197-L221 VanDerWaalsContact O-CA 3.27Å; I197-L221 WeakPolarHBondContact O-CA 3.23Å; I197-L221 PolarHBondContact O-N 3.02Å; L200-L221 HydrophobicContact CB-CD1 4.43Å; L200-L221 HydrophobicContact CD1-CD1 4.38Å; L200-L221 HydrophobicContact CD1-CD2 3.82Å; L200-L221 HydrophobicContact CG-CD1 3.87Å; L200-L221 HydrophobicContact CG-CD2 4.23Å; C219-L221 PolarHBondContact O-N 3.13Å; L221-S223 WeakPolarHBondContact CD1-O 3Å; L221-I224 HydrophobicContact CD1-CG1 4.42Å; L221-I224 HydrophobicContact CD2-CD1 3.94Å; L221-I224 HydrophobicContact CD2-CG1 3.89Å; L221-I224 HydrophobicContact CG-CG1 4.3Å; L221-L240 HydrophobicContact CD2-CD2 4.18Å; L221-N243 HydrophobicContact CB-CB 4.07Å; L221-N243 VanDerWaalsContact CB-OD1 3.31Å; L221-N243 WeakPolarHBondContact CB-OD1 3.4Å; L221-N243 PolarHBondContact N-OD1 2.83Å; L221-Q244 CarbonylContact O-C 3.57Å; L221-Q244 VanDerWaalsContact O-CA 3.24Å; L221-Q244 WeakPolarHBondContact O-CA 3.45Å; L221-Q244 PolarHBondContact O-N 3.19Å; L221-L245 HydrophobicContact CD2-CD2 4.3Å; L221-L245 HydrophobicContact CG-CD2 3.95Å; L221-L245 PolarHBondContact O-N 2.8Å | ||
| 222 | R | 93.1 | Very high | 93.6 | Very high | 144 Ų | 144 | 41 Ų | 41 | 54% | 0.543 | 21% | 0.208 | S | C | . | . | trans | -102.2 | -32.7 | -174 | -66.7 | 178.1 | 177 | 176.6 | 0.8 | 114.1 | R198 A220 Q244 | R198-R222 PolarHBondContact O-N 3.03Å; A220-R222 PolarHBondContact O-N 3.01Å; R222-Q244 HydrophobicContact CG-CB 3.77Å | ||
| 223 | S | 92.4 | Very high | 93.4 | Very high | 58 Ų | 58 | 42.3 Ų | 42.3 | 41% | 0.406 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 147.6 | -176.1 | 55.6 | 0 | 0 | 0 | 0 | 112 | H199 L200 L221 | H199-S223 WeakPolarHBondContact CA-O 3.44Å; H199-S223 PolarHBondContact ND1-O 3.24Å; H199-S223 VanDerWaalsContact ND1-O 3.13Å; H199-S223 PolarHBondContact ND1-OG 3.1Å; L200-S223 PolarHBondContact N-O 2.89Å; L200-S223 VanDerWaalsContact N-O 3.13Å; L221-S223 WeakPolarHBondContact CD1-O 3Å |
| 224 | I | 94 | Very high | 93.1 | Very high | 17 Ų | 17 | 42.4 Ų | 42.4 | 9% | 0.087 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 129.8 | 178 | -58.4 | 164 | 0 | 0 | 0 | 106.4 | L200 L221 T228 F229 L240 L245 M252 | L200-I224 HydrophobicContact CB-CG1 4.35Å; L200-I224 HydrophobicContact CB-CG2 4.31Å; L200-I224 HydrophobicContact CD1-CG1 4.31Å; L200-I224 WeakPolarHBondContact O-CA 3.47Å; L221-I224 HydrophobicContact CD1-CG1 4.42Å; L221-I224 HydrophobicContact CD2-CD1 3.94Å; L221-I224 HydrophobicContact CD2-CG1 3.89Å; L221-I224 HydrophobicContact CG-CG1 4.3Å; I224-T228 HydrophobicContact CG2-CG2 4Å; I224-F229 HydrophobicContact CD1-CE2 3.98Å; I224-F229 HydrophobicContact CD1-CZ 3.91Å; I224-F229 HydrophobicContact CG2-CE2 4.1Å; I224-F229 HydrophobicContact CG2-CZ 4.23Å; I224-L240 HydrophobicContact CD1-CD1 4.23Å; I224-L245 HydrophobicContact CD1-CD1 3.95Å; I224-L245 HydrophobicContact CD1-CD2 3.79Å; I224-L245 HydrophobicContact CG1-CD2 3.91Å; I224-M252 HydrophobicContact CB-CE 4.17Å; I224-M252 HydrophobicContact CD1-CE 4.38Å; I224-M252 HydrophobicContact CD1-SD 4.07Å |
| 225 | E | 92 | Very high | 93.1 | Very high | 86 Ų | 86 | 42.4 Ų | 42.4 | 40% | 0.402 | 22% | 0.22 | S | C | . | . | trans | -71.9 | 151.2 | 178.3 | -64.8 | -169.9 | 131.3 | 0 | 0 | 112.9 | L200 S201 V202 G227 T228 | L200-E225 PolarHBondContact O-N 3.06Å; S201-E225 WeakPolarHBondContact CA-OE2 3.48Å; S201-E225 WeakPolarHBondContact CB-OE2 3.31Å; V202-E225 HydrophobicContact CG2-CB 3.52Å; V202-E225 HydrophobicContact CG2-CG 4.45Å; V202-E225 WeakPolarHBondContact CG2-OE2 2.93Å; V202-E225 PolarHBondContact N-OE2 3.18Å; E225-G227 PolarHBondContact O-N 3.18Å; E225-T228 WeakPolarHBondContact O-CB 3.38Å; E225-T228 PolarHBondContact O-N 3.26Å; E225-T228 PolarHBondContact O-OG1 3.12Å | ||
| 226 | Q | 88.1 | Confident | 93 | Very high | 117 Ų | 117 | 44 Ų | 44 | 55% | 0.547 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 121.8 | 174.1 | 161.8 | 169.7 | -11.2 | 0 | 0 | 110.5 | V202 H251 | V202-Q226 WeakPolarHBondContact CG2-O 3.11Å; Q226-H251 HydrophobicContact CB-CB 4.37Å; Q226-H251 VanDerWaalsContact CD-CG 3.49Å; Q226-H251 HydrophobicContact CG-CB 3.65Å; Q226-H251 PolarHBondContact NE2-CD2 2.98Å; Q226-H251 VanDerWaalsContact NE2-CG 3.34Å; Q226-H251 PolarHBondContact OE1-CD2 3.46Å |
| 227 | G | 87.8 | Confident | 93 | Very high | 18 Ų | 18 | 44.8 Ų | 44.8 | 19% | 0.186 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 108.6 | -14.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E225 F229 Q230 | E225-G227 PolarHBondContact O-N 3.18Å; G227-F229 PolarHBondContact O-N 3.18Å; G227-Q230 WeakPolarHBondContact O-CB 3.07Å; G227-Q230 PolarHBondContact O-N 2.81Å; G227-Q230 VanDerWaalsContact O-N 3.17Å; G227-Q230 PolarHBondContact O-OE1 2.96Å |
| 228 | T | 93.9 | Very high | 93 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -50 | -175.7 | -64.3 | 0 | 0 | 0 | 0 | 113.1 | L200 S201 V202 F205 I224 E225 T231 | L200-T228 HydrophobicContact CB-CG2 4.21Å; S201-T228 WeakPolarHBondContact O-CG2 3.21Å; S201-T228 PolarHBondContact O-OG1 2.63Å; V202-T228 WeakPolarHBondContact CA-OG1 3.15Å; V202-T228 PolarHBondContact N-OG1 3.29Å; F205-T228 HydrophobicContact CD2-CG2 3.67Å; F205-T228 HydrophobicContact CE2-CG2 3.65Å; I224-T228 HydrophobicContact CG2-CG2 4Å; E225-T228 WeakPolarHBondContact O-CB 3.38Å; E225-T228 PolarHBondContact O-N 3.26Å; E225-T228 PolarHBondContact O-OG1 3.12Å; T228-T231 PolarHBondContact O-OG1 2.89Å |
| 229 | F | 94.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -81.3 | -18.4 | -179.5 | -58.5 | -49.5 | 0 | 0 | 0 | 113.2 | F205 L214 I224 G227 T231 I232 I238 L240 M252 F253 L256 | F205-F229 HydrophobicContact CD2-CD1 4.31Å; F205-F229 HydrophobicContact CD2-CE1 4.47Å; F205-F229 HydrophobicContact CE2-CD1 4.09Å; F205-F229 AromaticContact CE2-CE1 3.8Å; F205-F229 HydrophobicContact CE2-CE1 3.8Å; L214-F229 HydrophobicContact CD2-CD1 4.25Å; L214-F229 HydrophobicContact CD2-CE1 3.66Å; I224-F229 HydrophobicContact CD1-CE2 3.98Å; I224-F229 HydrophobicContact CD1-CZ 3.91Å; I224-F229 HydrophobicContact CG2-CE2 4.1Å; I224-F229 HydrophobicContact CG2-CZ 4.23Å; G227-F229 PolarHBondContact O-N 3.18Å; F229-T231 PolarHBondContact O-N 2.99Å; F229-T231 VanDerWaalsContact O-N 3.15Å; F229-I232 HydrophobicContact CB-CG1 4.5Å; F229-I232 HydrophobicContact CD1-CD1 4.2Å; F229-I232 WeakPolarHBondContact O-CG1 3.46Å; F229-I232 PolarHBondContact O-N 3.08Å; F229-I238 HydrophobicContact CD1-CD1 4.46Å; F229-I238 HydrophobicContact CG-CD1 4.36Å; F229-L240 HydrophobicContact CE2-CD1 4.21Å; F229-L240 HydrophobicContact CZ-CD1 3.87Å; F229-M252 HydrophobicContact CD2-CG 4.03Å; F229-M252 WeakPolarHBondContact CD2-O 3.17Å; F229-M252 HydrophobicContact CE2-CG 3.95Å; F229-F253 AromaticContact CD2-CD1 3.87Å; F229-F253 HydrophobicContact CD2-CD1 3.87Å; F229-F253 AromaticContact CD2-CE1 3.64Å; F229-F253 HydrophobicContact CD2-CE1 3.64Å; F229-F253 HydrophobicContact CE2-CD1 4.28Å; F229-F253 AromaticContact CE2-CE1 3.57Å; F229-F253 HydrophobicContact CE2-CE1 3.57Å; F229-F253 HydrophobicContact CE2-CZ 4.15Å; F229-L256 HydrophobicContact CB-CD1 3.92Å; F229-L256 WeakPolarHBondContact O-CD2 3.13Å |
| 230 | Q | 91.9 | Very high | 93.3 | Very high | 64 Ų | 64 | 40.1 Ų | 40.1 | 30% | 0.299 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -67 | -14 | 175.7 | -69.3 | 62 | 42.7 | 0 | 0 | 112.1 | G227 I232 H251 M252 Q254 | G227-Q230 WeakPolarHBondContact O-CB 3.07Å; G227-Q230 PolarHBondContact O-N 2.81Å; G227-Q230 VanDerWaalsContact O-N 3.17Å; G227-Q230 PolarHBondContact O-OE1 2.96Å; Q230-I232 VanDerWaalsContact C-N 3.29Å; Q230-H251 PolarHBondContact NE2-O 2.79Å; Q230-H251 VanDerWaalsContact NE2-O 3.17Å; Q230-M252 PolarHBondContact NE2-O 2.86Å; Q230-Q254 WeakPolarHBondContact CG-O 3.28Å; Q230-Q254 PolarHBondContact NE2-O 3.12Å |
| 231 | T | 91 | Very high | 93.4 | Very high | 28 Ų | 28 | 39.5 Ų | 39.5 | 17% | 0.172 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -75.4 | -12.2 | 169.3 | 67.7 | 0 | 0 | 0 | 0 | 114.2 | F205 Q209 T228 F229 P233 | F205-T231 WeakPolarHBondContact CB-OG1 3.39Å; Q209-T231 WeakPolarHBondContact CG-O 3.18Å; T228-T231 PolarHBondContact O-OG1 2.89Å; F229-T231 PolarHBondContact O-N 2.99Å; F229-T231 VanDerWaalsContact O-N 3.15Å; T231-P233 VanDerWaalsContact C-CD 3.46Å; T231-P233 WeakPolarHBondContact O-CD 3.06Å |
| 232 | I | 93.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -124 | 62.9 | -179.4 | 54.2 | 169.6 | 0 | 0 | 0 | 112 | F205 V208 L211 L214 F229 Q230 K234 V235 | F205-I232 HydrophobicContact CB-CG2 3.57Å; F205-I232 HydrophobicContact CD2-CD1 4.49Å; F205-I232 HydrophobicContact CG-CD1 4.46Å; F205-I232 HydrophobicContact CG-CG2 4.46Å; V208-I232 HydrophobicContact CG2-CG2 4.28Å; V208-I232 WeakPolarHBondContact O-CG2 3.36Å; L211-I232 HydrophobicContact CB-CB 4.22Å; L211-I232 HydrophobicContact CB-CG2 3.98Å; L211-I232 HydrophobicContact CD2-CD1 3.88Å; L214-I232 HydrophobicContact CD2-CD1 4.45Å; F229-I232 HydrophobicContact CB-CG1 4.5Å; F229-I232 HydrophobicContact CD1-CD1 4.2Å; F229-I232 WeakPolarHBondContact O-CG1 3.46Å; F229-I232 PolarHBondContact O-N 3.08Å; Q230-I232 VanDerWaalsContact C-N 3.29Å; I232-K234 PolarHBondContact O-N 2.96Å; I232-V235 HydrophobicContact CD1-CB 4.08Å; I232-V235 HydrophobicContact CD1-CG1 4.22Å; I232-V235 HydrophobicContact CD1-CG2 4.18Å; I232-V235 HydrophobicContact CG1-CB 4.29Å; I232-V235 HydrophobicContact CG1-CG1 4.2Å; I232-V235 WeakPolarHBondContact O-CB 3.39Å; I232-V235 VanDerWaalsContact O-CG1 3.27Å; I232-V235 WeakPolarHBondContact O-CG1 3.45Å; I232-V235 PolarHBondContact O-N 3.44Å; I232-V235 VanDerWaalsContact O-N 3.11Å | ||
| 233 | P | 90.8 | Very high | 93.5 | Very high | 69 Ų | 69 | 40.7 Ų | 40.7 | 45% | 0.448 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -12.8 | -170 | 27.9 | -37 | 0 | 0 | 0 | 115 | T231 | T231-P233 VanDerWaalsContact C-CD 3.46Å; T231-P233 WeakPolarHBondContact O-CD 3.06Å |
| 234 | K | 92 | Very high | 93.7 | Very high | 95 Ų | 95 | 40.6 Ų | 40.6 | 41% | 0.413 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 1.7 | 178.3 | -73.8 | 172.6 | 168.8 | 176 | 0 | 114.1 | E210 L211 I232 Q236 | E210-K234 IonicContact OE1-NZ 3.91Å; E210-K234 PolarHBondContact OE1-NZ 3.01Å; E210-K234 IonicContact OE2-NZ 2.66Å; E210-K234 PolarHBondContact OE2-NZ 2.79Å; L211-K234 CarbonylContact O-C 3.59Å; L211-K234 VanDerWaalsContact O-C 3.23Å; I232-K234 PolarHBondContact O-N 2.96Å; K234-Q236 PolarHBondContact O-N 3.35Å |
| 235 | V | 94.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -69.7 | 120.9 | -173.1 | 71.1 | 0 | 0 | 0 | 0 | 112.2 | L211 I232 V237 I238 L256 L259 | L211-V235 WeakPolarHBondContact O-CA 3.33Å; L211-V235 PolarHBondContact O-N 3.03Å; L211-V235 VanDerWaalsContact O-N 3.09Å; I232-V235 HydrophobicContact CD1-CB 4.08Å; I232-V235 HydrophobicContact CD1-CG1 4.22Å; I232-V235 HydrophobicContact CD1-CG2 4.18Å; I232-V235 HydrophobicContact CG1-CB 4.29Å; I232-V235 HydrophobicContact CG1-CG1 4.2Å; I232-V235 WeakPolarHBondContact O-CB 3.39Å; I232-V235 VanDerWaalsContact O-CG1 3.27Å; I232-V235 WeakPolarHBondContact O-CG1 3.45Å; I232-V235 PolarHBondContact O-N 3.44Å; I232-V235 VanDerWaalsContact O-N 3.11Å; V235-V237 WeakPolarHBondContact CG2-O 3.08Å; V235-I238 HydrophobicContact CG1-CD1 3.97Å; V235-I238 HydrophobicContact CG1-CG1 4.31Å; V235-I238 HydrophobicContact CG2-CD1 4.26Å; V235-I238 HydrophobicContact CG2-CG1 3.67Å; V235-L256 HydrophobicContact CG1-CD1 4Å; V235-L256 HydrophobicContact CG1-CD2 4.11Å; V235-L256 HydrophobicContact CG1-CG 4.46Å; V235-L259 HydrophobicContact CG1-CD1 4.49Å; V235-L259 WeakPolarHBondContact O-CA 3.38Å; V235-L259 PolarHBondContact O-N 3.27Å | ||
| 236 | Q | 94.9 | Very high | 93.8 | Very high | 82 Ų | 82 | 43.2 Ų | 43.2 | 38% | 0.383 | 20% | 0.204 | S | C | . | . | trans | -100.3 | -26.1 | 179.2 | -66.3 | -176 | -13.7 | 0 | 0 | 112.3 | V212 K234 E258 Y260 S261 | V212-Q236 HydrophobicContact CG1-CB 3.91Å; V212-Q236 HydrophobicContact CG1-CG 3.96Å; V212-Q236 WeakPolarHBondContact O-CA 3.21Å; V212-Q236 PolarHBondContact O-N 3.45Å; K234-Q236 PolarHBondContact O-N 3.35Å; Q236-E258 HydrophobicContact CG-CB 4.11Å; Q236-Y260 WeakPolarHBondContact O-CA 3.43Å; Q236-Y260 WeakPolarHBondContact O-CB 3.29Å; Q236-Y260 PolarHBondContact O-N 3.27Å; Q236-S261 PolarHBondContact O-N 2.74Å | ||
| 237 | V | 95.9 | Very high | 94.1 | Very high | 17 Ų | 17 | 43.2 Ų | 43.2 | 10% | 0.103 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 130.2 | 177.9 | -175.3 | 0 | 0 | 0 | 0 | 111.9 | V212 R213 L214 V235 V239 S261 | V212-V237 PolarHBondContact O-N 3.28Å; R213-V237 CarbonylContact C-O 2.89Å; R213-V237 VanDerWaalsContact CA-O 3.31Å; R213-V237 WeakPolarHBondContact CA-O 3.16Å; R213-V237 HydrophobicContact CB-CB 4.3Å; R213-V237 HydrophobicContact CG-CB 3.98Å; R213-V237 HydrophobicContact CG-CG1 4.29Å; L214-V237 PolarHBondContact N-O 3.1Å; V235-V237 WeakPolarHBondContact CG2-O 3.08Å; V237-V239 HydrophobicContact CG1-CG2 4.12Å; V237-S261 VanDerWaalsContact CA-O 3.29Å; V237-S261 WeakPolarHBondContact CA-O 3.36Å |
| 238 | I | 96.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 127.9 | 171.5 | -65.1 | 174.4 | 0 | 0 | 0 | 108.4 | L214 F229 V235 L240 F253 L256 L259 S261 L262 D263 | L214-I238 CarbonylContact O-C 3.22Å; L214-I238 WeakPolarHBondContact O-CA 3.47Å; F229-I238 HydrophobicContact CD1-CD1 4.46Å; F229-I238 HydrophobicContact CG-CD1 4.36Å; V235-I238 HydrophobicContact CG1-CD1 3.97Å; V235-I238 HydrophobicContact CG1-CG1 4.31Å; V235-I238 HydrophobicContact CG2-CD1 4.26Å; V235-I238 HydrophobicContact CG2-CG1 3.67Å; I238-L240 HydrophobicContact CG2-CD1 3.59Å; I238-L240 HydrophobicContact CG2-CG 3.65Å; I238-F253 HydrophobicContact CD1-CD1 4.11Å; I238-F253 HydrophobicContact CD1-CE1 4.07Å; I238-L256 HydrophobicContact CD1-CD1 4.14Å; I238-L259 HydrophobicContact CB-CD1 4.44Å; I238-L259 HydrophobicContact CD1-CD1 4.02Å; I238-L259 HydrophobicContact CD1-CD2 4.42Å; I238-L259 HydrophobicContact CG1-CD1 3.96Å; I238-S261 PolarHBondContact N-O 2.87Å; I238-L262 HydrophobicContact CB-CD1 3.74Å; I238-L262 HydrophobicContact CG2-CD1 3.66Å; I238-L262 CarbonylContact O-C 3.35Å; I238-L262 WeakPolarHBondContact O-CA 3.14Å; I238-D263 PolarHBondContact O-N 2.91Å |
| 239 | V | 97 | Very high | 94.4 | Very high | 18 Ų | 18 | 44.1 Ų | 44.1 | 11% | 0.109 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 114.2 | 175.1 | 177.1 | 0 | 0 | 0 | 0 | 108.9 | L214 E215 M216 P217 V237 D263 | L214-V239 PolarHBondContact O-N 3.16Å; E215-V239 HydrophobicContact CB-CB 4.23Å; E215-V239 HydrophobicContact CG-CB 4.17Å; E215-V239 HydrophobicContact CG-CG2 4.26Å; M216-V239 PolarHBondContact N-O 3.27Å; P217-V239 HydrophobicContact CB-CG1 4.18Å; P217-V239 HydrophobicContact CG-CG1 4.31Å; V237-V239 HydrophobicContact CG1-CG2 4.12Å; V239-D263 HydrophobicContact CB-CB 4.45Å; V239-D263 HydrophobicContact CG1-CB 4.26Å; V239-D263 HydrophobicContact CG2-CB 4.26Å |
| 240 | L | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -129.9 | 21.1 | -175.7 | -66.7 | 170.6 | 0 | 0 | 0 | 111.5 | M216 L221 I224 F229 I238 N243 F253 D263 L264 N267 | M216-L240 HydrophobicContact CB-CD2 4.21Å; L221-L240 HydrophobicContact CD2-CD2 4.18Å; I224-L240 HydrophobicContact CD1-CD1 4.23Å; F229-L240 HydrophobicContact CE2-CD1 4.21Å; F229-L240 HydrophobicContact CZ-CD1 3.87Å; I238-L240 HydrophobicContact CG2-CD1 3.59Å; I238-L240 HydrophobicContact CG2-CG 3.65Å; L240-N243 VanDerWaalsContact C-ND2 3.33Å; L240-N243 PolarHBondContact O-ND2 3.23Å; L240-F253 HydrophobicContact CD1-CZ 4.42Å; L240-D263 PolarHBondContact N-O 3.13Å; L240-L264 HydrophobicContact CB-CD2 4Å; L240-L264 HydrophobicContact CD1-CD2 4.04Å; L240-N267 PolarHBondContact O-ND2 3.37Å | ||
| 241 | S | 95.7 | Very high | 94 | Very high | 15 Ų | 15 | 49.3 Ų | 49.3 | 11% | 0.105 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | 160.6 | -174.9 | 40.2 | 0 | 0 | 0 | 0 | 114.3 | P217 N218 N243 D263 K265 | P217-S241 CarbonylContact C-O 3.43Å; P217-S241 WeakPolarHBondContact CA-O 3.41Å; N218-S241 PolarHBondContact N-O 2.9Å; S241-N243 PolarHBondContact O-N 2.99Å; S241-N243 PolarHBondContact O-ND2 2.87Å; S241-D263 WeakPolarHBondContact CB-OD1 3.37Å; S241-D263 WeakPolarHBondContact CB-OD2 3.36Å; S241-D263 PolarHBondContact OG-OD2 3.49Å; S241-K265 CarbonylContact C-O 3.56Å; S241-K265 VanDerWaalsContact C-O 3.25Å; S241-K265 WeakPolarHBondContact CA-O 3.33Å; S241-K265 WeakPolarHBondContact CB-O 3.49Å |
| 242 | R | 95.4 | Very high | 94.1 | Very high | 165 Ų | 165 | 48.3 Ų | 48.3 | 62% | 0.623 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 26.2 | 179.9 | -65.2 | -178.8 | 172 | 174.8 | -2.5 | 115.2 | N218 K265 G266 | N218-R242 WeakPolarHBondContact CA-O 3.39Å; N218-R242 HydrophobicContact CB-CB 3.89Å; R242-K265 PolarHBondContact N-O 2.96Å; R242-G266 CarbonylContact C-O 3.58Å; R242-G266 VanDerWaalsContact CA-O 3.24Å; R242-G266 WeakPolarHBondContact CA-O 3.41Å |
| 243 | N | 95.5 | Very high | 94 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | trans | -94.4 | -168.4 | 178.2 | -82 | -62.6 | 0 | 0 | 0 | 112.4 | M216 C219 A220 L221 L240 S241 N267 | M216-N243 PolarHBondContact O-ND2 3.31Å; C219-N243 VanDerWaalsContact C-OD1 3.26Å; C219-N243 VanDerWaalsContact CA-OD1 3.24Å; C219-N243 WeakPolarHBondContact CA-OD1 3.2Å; C219-N243 WeakPolarHBondContact CB-OD1 3.42Å; C219-N243 PolarHBondContact N-OD1 3.39Å; A220-N243 PolarHBondContact N-OD1 2.82Å; L221-N243 HydrophobicContact CB-CB 4.07Å; L221-N243 VanDerWaalsContact CB-OD1 3.31Å; L221-N243 WeakPolarHBondContact CB-OD1 3.4Å; L221-N243 PolarHBondContact N-OD1 2.83Å; L240-N243 VanDerWaalsContact C-ND2 3.33Å; L240-N243 PolarHBondContact O-ND2 3.23Å; S241-N243 PolarHBondContact O-N 2.99Å; S241-N243 PolarHBondContact O-ND2 2.87Å; N243-N267 WeakPolarHBondContact CA-OD1 3.4Å; N243-N267 WeakPolarHBondContact CB-OD1 3.47Å | ||
| 244 | Q | 94.9 | Very high | 94 | Very high | 57 Ų | 57 | 49.9 Ų | 49.9 | 27% | 0.266 | 21% | 0.214 | S | C | . | . | trans | -118.6 | 21.2 | -176.4 | -64.3 | -179 | 14.9 | 0 | 0 | 112.2 | A220 L221 R222 R246 N267 | A220-Q244 HydrophobicContact CB-CG 4.44Å; L221-Q244 CarbonylContact O-C 3.57Å; L221-Q244 VanDerWaalsContact O-CA 3.24Å; L221-Q244 WeakPolarHBondContact O-CA 3.45Å; L221-Q244 PolarHBondContact O-N 3.19Å; R222-Q244 HydrophobicContact CG-CB 3.77Å; Q244-R246 PolarHBondContact O-N 2.83Å; Q244-N267 PolarHBondContact N-OD1 2.87Å | ||
| 245 | L | 95.1 | Very high | 93.6 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | trans | -62.3 | 126.1 | 179.5 | -62.2 | 174.4 | 0 | 0 | 0 | 109.5 | L221 I224 L264 N267 K268 A269 | L221-L245 HydrophobicContact CD2-CD2 4.3Å; L221-L245 HydrophobicContact CG-CD2 3.95Å; L221-L245 PolarHBondContact O-N 2.8Å; I224-L245 HydrophobicContact CD1-CD1 3.95Å; I224-L245 HydrophobicContact CD1-CD2 3.79Å; I224-L245 HydrophobicContact CG1-CD2 3.91Å; L245-L264 HydrophobicContact CD1-CD2 4.09Å; L245-N267 VanDerWaalsContact CB-OD1 3.32Å; L245-N267 WeakPolarHBondContact CB-OD1 3.44Å; L245-N267 WeakPolarHBondContact CG-OD1 3.38Å; L245-N267 PolarHBondContact N-OD1 2.72Å; L245-N267 VanDerWaalsContact N-OD1 3.14Å; L245-K268 CarbonylContact O-C 3.25Å; L245-K268 WeakPolarHBondContact O-CA 3.43Å; L245-K268 PolarHBondContact O-N 3.34Å; L245-K268 VanDerWaalsContact O-N 3.13Å; L245-A269 VanDerWaalsContact O-CA 3.28Å; L245-A269 WeakPolarHBondContact O-CA 3.43Å; L245-A269 PolarHBondContact O-N 2.91Å | ||
| 246 | R | 94.5 | Very high | 93.5 | Very high | 154 Ų | 154 | 48.2 Ų | 48.2 | 58% | 0.581 | 22% | 0.223 | S | C | * | . | trans | -98.1 | -20.5 | 178.6 | -70.7 | -164.9 | -171.3 | -136.8 | 18.1 | 115.7 | Q244 K268 A269 E270 E271 | Q244-R246 PolarHBondContact O-N 2.83Å; R246-K268 WeakPolarHBondContact CA-O 3.4Å; R246-A269 CarbonylContact O-C 3.07Å; R246-A269 WeakPolarHBondContact O-CA 3.37Å; R246-E270 WeakPolarHBondContact CD-OE1 3.38Å; R246-E270 IonicContact CZ-OE1 2.81Å; R246-E270 IonicContact NE-OE1 3.51Å; R246-E270 IonicContact NH1-OE1 2.71Å; R246-E270 PolarHBondContact NH1-OE1 2.8Å; R246-E270 IonicContact NH1-OE2 2.72Å; R246-E270 PolarHBondContact O-N 2.62Å; R246-E271 PolarHBondContact O-N 3.39Å | ||
| 247 | R | 93.8 | Very high | 93.1 | Very high | 118 Ų | 118 | 45.6 Ų | 45.6 | 45% | 0.445 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 139.2 | -178.6 | -177.7 | 176.7 | -172.4 | 143.8 | -9 | 110.8 | T249 E271 D273 | R247-T249 HydrophobicContact CG-CG2 4.11Å; R247-E271 VanDerWaalsContact CA-O 3.31Å; R247-E271 WeakPolarHBondContact CA-O 3.39Å; R247-E271 HydrophobicContact CB-CB 4.26Å; R247-E271 VanDerWaalsContact CD-OE2 3.22Å; R247-E271 WeakPolarHBondContact CD-OE2 3.41Å; R247-E271 HydrophobicContact CG-CB 3.87Å; R247-E271 IonicContact CZ-OE2 2.63Å; R247-E271 VanDerWaalsContact CZ-OE2 3.32Å; R247-E271 IonicContact NE-OE2 3.08Å; R247-E271 PolarHBondContact NE-OE2 2.98Å; R247-E271 IonicContact NH1-OE1 3.18Å; R247-E271 IonicContact NH1-OE2 3.57Å; R247-E271 PolarHBondContact NH1-OE2 2.81Å; R247-D273 IonicContact CZ-OD1 3.71Å; R247-D273 IonicContact NE-OD1 2.69Å; R247-D273 PolarHBondContact NE-OD1 3.33Å; R247-D273 IonicContact NH2-OD1 2.77Å; R247-D273 PolarHBondContact NH2-OD1 3.32Å |
| 248 | I | 94.5 | Very high | 92.8 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 109.8 | 174.5 | -52.7 | 174.5 | 0 | 0 | 0 | 108 | M252 F253 L264 A269 E271 V272 D273 A276 F277 L288 | I248-M252 HydrophobicContact CG2-SD 4.33Å; I248-F253 HydrophobicContact CG2-CD2 4.46Å; I248-F253 HydrophobicContact CG2-CE2 3.93Å; I248-L264 HydrophobicContact CD1-CD1 4.1Å; I248-A269 HydrophobicContact CD1-CB 4.03Å; I248-A269 HydrophobicContact CG1-CB 4.09Å; I248-E271 PolarHBondContact N-O 3.09Å; I248-V272 HydrophobicContact CB-CG1 4.21Å; I248-V272 HydrophobicContact CB-CG2 4.17Å; I248-V272 HydrophobicContact CD1-CG2 4.07Å; I248-V272 HydrophobicContact CG1-CG2 4.36Å; I248-V272 WeakPolarHBondContact O-CA 3.36Å; I248-D273 PolarHBondContact O-N 2.77Å; I248-A276 HydrophobicContact CG2-CB 4.21Å; I248-F277 HydrophobicContact CD1-CZ 4.09Å; I248-F277 HydrophobicContact CG2-CE1 4.05Å; I248-F277 HydrophobicContact CG2-CZ 3.84Å; I248-L288 HydrophobicContact CD1-CD2 4.14Å |
| 249 | T | 92.8 | Very high | 92.6 | Very high | 35 Ų | 35 | 49.6 Ų | 49.6 | 22% | 0.215 | 24% | 0.235 | C | C | . | . | trans | -90.8 | 154.1 | -169.9 | 63.2 | 0 | 0 | 0 | 0 | 113.2 | R247 H251 M252 D273 | R247-T249 HydrophobicContact CG-CG2 4.11Å; T249-H251 PolarHBondContact O-N 2.72Å; T249-M252 WeakPolarHBondContact O-CB 3.19Å; T249-M252 PolarHBondContact O-N 3.34Å; T249-D273 WeakPolarHBondContact CA-OD2 3.17Å; T249-D273 WeakPolarHBondContact CB-OD2 3.35Å | ||
| 250 | R | 90.6 | Very high | 92.3 | Very high | 139 Ų | 139 | 53.3 Ų | 53.3 | 53% | 0.525 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22.5 | -175 | 71.1 | -180 | -168.5 | 178.4 | 2.5 | 114 | D273 D274 | R250-D273 HydrophobicContact CB-CB 3.73Å; R250-D273 VanDerWaalsContact N-CB 3.33Å; R250-D273 PolarHBondContact N-OD2 2.9Å; R250-D274 WeakPolarHBondContact CB-O 3.46Å |
| 251 | H | 89 | Confident | 92.2 | Very high | 36 Ų | 36 | 54.1 Ų | 54.1 | 17% | 0.167 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -6.6 | -177.2 | -63.8 | -62.4 | 0 | 0 | 0 | 113.1 | Q226 Q230 T249 Q254 | Q226-H251 HydrophobicContact CB-CB 4.37Å; Q226-H251 VanDerWaalsContact CD-CG 3.49Å; Q226-H251 HydrophobicContact CG-CB 3.65Å; Q226-H251 PolarHBondContact NE2-CD2 2.98Å; Q226-H251 VanDerWaalsContact NE2-CG 3.34Å; Q226-H251 PolarHBondContact OE1-CD2 3.46Å; Q230-H251 PolarHBondContact NE2-O 2.79Å; Q230-H251 VanDerWaalsContact NE2-O 3.17Å; T249-H251 PolarHBondContact O-N 2.72Å; H251-Q254 PolarHBondContact ND1-OE1 3.23Å |
| 252 | M | 92.1 | Very high | 92.2 | Very high | 6 Ų | 6 | 53.4 Ų | 53.4 | 3% | 0.03 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -50.2 | -172.9 | -169.5 | 171 | -69.2 | 0 | 0 | 111.9 | I224 F229 Q230 I248 T249 | I224-M252 HydrophobicContact CB-CE 4.17Å; I224-M252 HydrophobicContact CD1-CE 4.38Å; I224-M252 HydrophobicContact CD1-SD 4.07Å; F229-M252 HydrophobicContact CD2-CG 4.03Å; F229-M252 WeakPolarHBondContact CD2-O 3.17Å; F229-M252 HydrophobicContact CE2-CG 3.95Å; Q230-M252 PolarHBondContact NE2-O 2.86Å; I248-M252 HydrophobicContact CG2-SD 4.33Å; T249-M252 WeakPolarHBondContact O-CB 3.19Å; T249-M252 PolarHBondContact O-N 3.34Å |
| 253 | F | 92.6 | Very high | 92.3 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.009 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -107.7 | 10.4 | -178.8 | -53.6 | -70.2 | 0 | 0 | 0 | 113.6 | F229 I238 L240 I248 G255 L256 L259 L262 L264 F277 L280 | F229-F253 AromaticContact CD2-CD1 3.87Å; F229-F253 HydrophobicContact CD2-CD1 3.87Å; F229-F253 AromaticContact CD2-CE1 3.64Å; F229-F253 HydrophobicContact CD2-CE1 3.64Å; F229-F253 HydrophobicContact CE2-CD1 4.28Å; F229-F253 AromaticContact CE2-CE1 3.57Å; F229-F253 HydrophobicContact CE2-CE1 3.57Å; F229-F253 HydrophobicContact CE2-CZ 4.15Å; I238-F253 HydrophobicContact CD1-CD1 4.11Å; I238-F253 HydrophobicContact CD1-CE1 4.07Å; L240-F253 HydrophobicContact CD1-CZ 4.42Å; I248-F253 HydrophobicContact CG2-CD2 4.46Å; I248-F253 HydrophobicContact CG2-CE2 3.93Å; F253-G255 PolarHBondContact O-N 3.34Å; F253-L256 HydrophobicContact CB-CD1 4.18Å; F253-L256 HydrophobicContact CD1-CD1 4.14Å; F253-L256 WeakPolarHBondContact O-CG 2.88Å; F253-L256 PolarHBondContact O-N 2.86Å; F253-L259 HydrophobicContact CD1-CD2 4.47Å; F253-L262 HydrophobicContact CD1-CD1 4.44Å; F253-L262 HydrophobicContact CD1-CD2 4.16Å; F253-L262 HydrophobicContact CD2-CD2 3.96Å; F253-L262 HydrophobicContact CE1-CD1 3.76Å; F253-L262 HydrophobicContact CE1-CD2 4.07Å; F253-L262 HydrophobicContact CE2-CD2 3.86Å; F253-L262 HydrophobicContact CG-CD2 4.11Å; F253-L262 HydrophobicContact CZ-CD1 3.84Å; F253-L262 HydrophobicContact CZ-CD2 3.92Å; F253-L264 HydrophobicContact CE2-CD1 4.24Å; F253-L264 HydrophobicContact CZ-CD1 4.33Å; F253-L264 HydrophobicContact CZ-CD2 4.45Å; F253-F277 AromaticContact CD2-CD1 3.85Å; F253-F277 HydrophobicContact CD2-CD1 3.85Å; F253-F277 AromaticContact CD2-CE1 3.7Å; F253-F277 HydrophobicContact CD2-CE1 3.7Å; F253-F277 HydrophobicContact CE2-CD1 4.36Å; F253-F277 AromaticContact CE2-CE1 3.75Å; F253-F277 HydrophobicContact CE2-CE1 3.75Å; F253-L280 HydrophobicContact CB-CD1 4.37Å |
| 254 | Q | 89.7 | Confident | 92.3 | Very high | 101 Ų | 101 | 47 Ų | 47 | 47% | 0.472 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 131.4 | -176.9 | -176.8 | -178.5 | -5.6 | 0 | 0 | 111.5 | Q230 H251 | Q230-Q254 WeakPolarHBondContact CG-O 3.28Å; Q230-Q254 PolarHBondContact NE2-O 3.12Å; H251-Q254 PolarHBondContact ND1-OE1 3.23Å |
| 255 | G | 83.5 | Confident | 92.3 | Very high | 58 Ų | 58 | 46.4 Ų | 46.4 | 60% | 0.598 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | 0.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | F253 G257 | F253-G255 PolarHBondContact O-N 3.34Å; G255-G257 PolarHBondContact O-N 2.75Å |
| 256 | L | 92 | Very high | 92.3 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | trans | -80.8 | 65.3 | -179.5 | -53.6 | 179.1 | 0 | 0 | 0 | 111.6 | F229 V235 I238 F253 E258 L259 L280 | F229-L256 HydrophobicContact CB-CD1 3.92Å; F229-L256 WeakPolarHBondContact O-CD2 3.13Å; V235-L256 HydrophobicContact CG1-CD1 4Å; V235-L256 HydrophobicContact CG1-CD2 4.11Å; V235-L256 HydrophobicContact CG1-CG 4.46Å; I238-L256 HydrophobicContact CD1-CD1 4.14Å; F253-L256 HydrophobicContact CB-CD1 4.18Å; F253-L256 HydrophobicContact CD1-CD1 4.14Å; F253-L256 WeakPolarHBondContact O-CG 2.88Å; F253-L256 PolarHBondContact O-N 2.86Å; L256-E258 PolarHBondContact O-N 3.07Å; L256-E258 VanDerWaalsContact O-N 3.11Å; L256-L259 HydrophobicContact CB-CB 3.99Å; L256-L259 HydrophobicContact CB-CD2 4.38Å; L256-L259 HydrophobicContact CD1-CD2 4.23Å; L256-L259 WeakPolarHBondContact O-CB 3.3Å; L256-L259 PolarHBondContact O-N 2.92Å; L256-L280 HydrophobicContact CB-CD2 4.02Å; L256-L280 VanDerWaalsContact O-CD2 3.28Å; L256-L280 WeakPolarHBondContact O-CD2 3.36Å | ||
| 257 | G | 86.2 | Confident | 92.3 | Very high | 26 Ų | 26 | 40.1 Ų | 40.1 | 27% | 0.268 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -26.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | G255 S282 | G255-G257 PolarHBondContact O-N 2.75Å; G257-S282 VanDerWaalsContact O-CB 3.23Å; G257-S282 WeakPolarHBondContact O-CB 3.46Å; G257-S282 PolarHBondContact O-OG 2.96Å |
| 258 | E | 89.6 | Confident | 92.3 | Very high | 102 Ų | 102 | 39.5 Ų | 39.5 | 48% | 0.477 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -9.8 | 177.4 | -64 | -60.8 | 127.5 | 0 | 0 | 113.8 | Q236 L256 Y260 | Q236-E258 HydrophobicContact CG-CB 4.11Å; L256-E258 PolarHBondContact O-N 3.07Å; L256-E258 VanDerWaalsContact O-N 3.11Å; E258-Y260 PolarHBondContact O-N 2.85Å |
| 259 | L | 93.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -63 | 112.7 | -172.6 | -172.2 | 62.8 | 0 | 0 | 0 | 111.2 | V235 I238 F253 L256 L262 L280 S282 L283 | V235-L259 HydrophobicContact CG1-CD1 4.49Å; V235-L259 WeakPolarHBondContact O-CA 3.38Å; V235-L259 PolarHBondContact O-N 3.27Å; I238-L259 HydrophobicContact CB-CD1 4.44Å; I238-L259 HydrophobicContact CD1-CD1 4.02Å; I238-L259 HydrophobicContact CD1-CD2 4.42Å; I238-L259 HydrophobicContact CG1-CD1 3.96Å; F253-L259 HydrophobicContact CD1-CD2 4.47Å; L256-L259 HydrophobicContact CB-CB 3.99Å; L256-L259 HydrophobicContact CB-CD2 4.38Å; L256-L259 HydrophobicContact CD1-CD2 4.23Å; L256-L259 WeakPolarHBondContact O-CB 3.3Å; L256-L259 PolarHBondContact O-N 2.92Å; L259-L262 HydrophobicContact CD2-CB 4.43Å; L259-L262 HydrophobicContact CD2-CD2 4.4Å; L259-L280 HydrophobicContact CB-CD2 4.45Å; L259-L280 HydrophobicContact CD2-CD1 4.25Å; L259-S282 CarbonylContact O-C 3.55Å; L259-L283 HydrophobicContact CD2-CD1 4.39Å; L259-L283 HydrophobicContact CG-CD1 4.01Å; L259-L283 WeakPolarHBondContact O-CA 3.28Å; L259-L283 PolarHBondContact O-N 3.01Å | ||
| 260 | Y | 91.2 | Very high | 92.4 | Very high | 95 Ų | 95 | 41.3 Ų | 41.3 | 37% | 0.373 | 21% | 0.212 | S | C | . | . | trans | -99.2 | -38.3 | -176.4 | 167.6 | -92.3 | 0 | 0 | 0 | 112.4 | Q236 E258 R284 H285 | Q236-Y260 WeakPolarHBondContact O-CA 3.43Å; Q236-Y260 WeakPolarHBondContact O-CB 3.29Å; Q236-Y260 PolarHBondContact O-N 3.27Å; E258-Y260 PolarHBondContact O-N 2.85Å; Y260-R284 HydrophobicContact CD2-CB 4.13Å; Y260-R284 HydrophobicContact CD2-CG 3.93Å; Y260-R284 HydrophobicContact CE2-CB 3.76Å; Y260-R284 HydrophobicContact CE2-CG 3.77Å; Y260-R284 PolarHBondContact O-N 3.01Å; Y260-H285 PolarHBondContact O-N 3.17Å | ||
| 261 | S | 94.6 | Very high | 92.5 | Very high | 18 Ų | 18 | 39.5 Ų | 39.5 | 13% | 0.126 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 133.3 | -178 | -175.2 | 0 | 0 | 0 | 0 | 112.5 | Q236 V237 I238 H285 | Q236-S261 PolarHBondContact O-N 2.74Å; V237-S261 VanDerWaalsContact CA-O 3.29Å; V237-S261 WeakPolarHBondContact CA-O 3.36Å; I238-S261 PolarHBondContact N-O 2.87Å; S261-H285 CarbonylContact C-O 3.55Å; S261-H285 VanDerWaalsContact CA-O 3.25Å; S261-H285 WeakPolarHBondContact CA-O 3.49Å |
| 262 | L | 96.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 111.7 | 176.2 | 173.6 | 59 | 0 | 0 | 0 | 110.1 | I238 F253 L259 L264 F277 L283 H285 L286 D287 | I238-L262 HydrophobicContact CB-CD1 3.74Å; I238-L262 HydrophobicContact CG2-CD1 3.66Å; I238-L262 CarbonylContact O-C 3.35Å; I238-L262 WeakPolarHBondContact O-CA 3.14Å; F253-L262 HydrophobicContact CD1-CD1 4.44Å; F253-L262 HydrophobicContact CD1-CD2 4.16Å; F253-L262 HydrophobicContact CD2-CD2 3.96Å; F253-L262 HydrophobicContact CE1-CD1 3.76Å; F253-L262 HydrophobicContact CE1-CD2 4.07Å; F253-L262 HydrophobicContact CE2-CD2 3.86Å; F253-L262 HydrophobicContact CG-CD2 4.11Å; F253-L262 HydrophobicContact CZ-CD1 3.84Å; F253-L262 HydrophobicContact CZ-CD2 3.92Å; L259-L262 HydrophobicContact CD2-CB 4.43Å; L259-L262 HydrophobicContact CD2-CD2 4.4Å; L262-L264 HydrophobicContact CD1-CD1 4.08Å; L262-L264 HydrophobicContact CD1-CG 4.06Å; L262-L264 HydrophobicContact CD2-CD1 3.9Å; L262-L264 HydrophobicContact CG-CD1 3.84Å; L262-L264 HydrophobicContact CG-CG 4.2Å; L262-F277 HydrophobicContact CD2-CD1 3.81Å; L262-F277 HydrophobicContact CD2-CE1 3.63Å; L262-L283 HydrophobicContact CB-CD1 4.26Å; L262-H285 PolarHBondContact N-O 2.98Å; L262-L286 HydrophobicContact CB-CD1 3.98Å; L262-L286 HydrophobicContact CD2-CD1 3.95Å; L262-L286 HydrophobicContact CG-CD1 3.81Å; L262-L286 CarbonylContact O-C 3.45Å; L262-L286 VanDerWaalsContact O-CA 3.23Å; L262-L286 WeakPolarHBondContact O-CA 3.13Å; L262-L286 VanDerWaalsContact O-CD1 3.31Å; L262-L286 WeakPolarHBondContact O-CD1 3.43Å; L262-D287 PolarHBondContact O-N 3.5Å |
| 263 | D | 96 | Very high | 92.8 | Very high | 30 Ų | 30 | 39.3 Ų | 39.3 | 16% | 0.16 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 121.2 | 174.3 | 173.9 | 22.1 | 0 | 0 | 0 | 110.2 | I238 V239 L240 S241 K265 | I238-D263 PolarHBondContact O-N 2.91Å; V239-D263 HydrophobicContact CB-CB 4.45Å; V239-D263 HydrophobicContact CG1-CB 4.26Å; V239-D263 HydrophobicContact CG2-CB 4.26Å; L240-D263 PolarHBondContact N-O 3.13Å; S241-D263 WeakPolarHBondContact CB-OD1 3.37Å; S241-D263 WeakPolarHBondContact CB-OD2 3.36Å; S241-D263 PolarHBondContact OG-OD2 3.49Å; D263-K265 WeakPolarHBondContact OD1-CB 3.43Å; D263-K265 PolarHBondContact OD1-N 3.34Å |
| 264 | L | 96.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | trans | -124.7 | 10.8 | 177.1 | -73.7 | 158.1 | 0 | 0 | 0 | 111.3 | L240 L245 I248 F253 L262 N267 F277 L286 D287 L288 N291 | L240-L264 HydrophobicContact CB-CD2 4Å; L240-L264 HydrophobicContact CD1-CD2 4.04Å; L245-L264 HydrophobicContact CD1-CD2 4.09Å; I248-L264 HydrophobicContact CD1-CD1 4.1Å; F253-L264 HydrophobicContact CE2-CD1 4.24Å; F253-L264 HydrophobicContact CZ-CD1 4.33Å; F253-L264 HydrophobicContact CZ-CD2 4.45Å; L262-L264 HydrophobicContact CD1-CD1 4.08Å; L262-L264 HydrophobicContact CD1-CG 4.06Å; L262-L264 HydrophobicContact CD2-CD1 3.9Å; L262-L264 HydrophobicContact CG-CD1 3.84Å; L262-L264 HydrophobicContact CG-CG 4.2Å; L264-N267 WeakPolarHBondContact O-CB 3.31Å; L264-N267 PolarHBondContact O-ND2 2.78Å; L264-F277 HydrophobicContact CD1-CE1 3.93Å; L264-F277 HydrophobicContact CD1-CZ 4.02Å; L264-L286 HydrophobicContact CD1-CD1 4.36Å; L264-D287 CarbonylContact C-O 3.57Å; L264-D287 WeakPolarHBondContact CA-O 3.08Å; L264-D287 WeakPolarHBondContact CB-O 3.08Å; L264-D287 PolarHBondContact N-O 3.35Å; L264-L288 HydrophobicContact CB-CD2 4.13Å; L264-L288 HydrophobicContact CD1-CD2 3.78Å; L264-N291 PolarHBondContact O-ND2 2.78Å | ||
| 265 | K | 94.7 | Very high | 92.9 | Very high | 45 Ų | 45 | 42 Ų | 42 | 20% | 0.196 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 146.9 | -176.5 | 176.3 | 171.5 | -173.5 | 176.6 | 0 | 112.8 | S241 R242 D263 N267 D287 S289 D290 Y316 | S241-K265 CarbonylContact C-O 3.56Å; S241-K265 VanDerWaalsContact C-O 3.25Å; S241-K265 WeakPolarHBondContact CA-O 3.33Å; S241-K265 WeakPolarHBondContact CB-O 3.49Å; R242-K265 PolarHBondContact N-O 2.96Å; D263-K265 WeakPolarHBondContact OD1-CB 3.43Å; D263-K265 PolarHBondContact OD1-N 3.34Å; K265-N267 VanDerWaalsContact C-N 3.29Å; K265-N267 PolarHBondContact O-N 3.22Å; K265-D287 HydrophobicContact CB-CB 4.46Å; K265-D287 PolarHBondContact N-O 2.7Å; K265-S289 CarbonylContact C-O 3.48Å; K265-S289 WeakPolarHBondContact CA-O 3.38Å; K265-S289 VanDerWaalsContact CD-OG 3.25Å; K265-S289 WeakPolarHBondContact CD-OG 3.45Å; K265-S289 WeakPolarHBondContact CE-OG 3.47Å; K265-S289 VanDerWaalsContact CG-OG 3.26Å; K265-S289 WeakPolarHBondContact CG-OG 3.26Å; K265-D290 HydrophobicContact CG-CB 3.96Å; K265-Y316 WeakPolarHBondContact CE-OH 3.47Å; K265-Y316 PolarHBondContact NZ-OH 3.25Å |
| 266 | G | 94.5 | Very high | 93.3 | Very high | 16 Ų | 16 | 39.3 Ų | 39.3 | 17% | 0.165 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | 15.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | R242 S289 D290 | R242-G266 CarbonylContact C-O 3.58Å; R242-G266 VanDerWaalsContact CA-O 3.24Å; R242-G266 WeakPolarHBondContact CA-O 3.41Å; G266-S289 PolarHBondContact N-O 3.11Å; G266-D290 CarbonylContact C-O 3.4Å; G266-D290 VanDerWaalsContact C-O 3.23Å; G266-D290 WeakPolarHBondContact CA-O 3.41Å; G266-D290 PolarHBondContact N-O 2.72Å |
| 267 | N | 94.8 | Very high | 93.4 | Very high | 9 Ų | 9 | 39.2 Ų | 39.2 | 5% | 0.048 | 19% | 0.191 | C | C | . | . | trans | -87.4 | -171.9 | 178.2 | -91.7 | -83.7 | 0 | 0 | 0 | 111.2 | L240 N243 Q244 L245 L264 K265 D290 N291 | L240-N267 PolarHBondContact O-ND2 3.37Å; N243-N267 WeakPolarHBondContact CA-OD1 3.4Å; N243-N267 WeakPolarHBondContact CB-OD1 3.47Å; Q244-N267 PolarHBondContact N-OD1 2.87Å; L245-N267 VanDerWaalsContact CB-OD1 3.32Å; L245-N267 WeakPolarHBondContact CB-OD1 3.44Å; L245-N267 WeakPolarHBondContact CG-OD1 3.38Å; L245-N267 PolarHBondContact N-OD1 2.72Å; L245-N267 VanDerWaalsContact N-OD1 3.14Å; L264-N267 WeakPolarHBondContact O-CB 3.31Å; L264-N267 PolarHBondContact O-ND2 2.78Å; K265-N267 VanDerWaalsContact C-N 3.29Å; K265-N267 PolarHBondContact O-N 3.22Å; N267-D290 PolarHBondContact N-O 3.19Å; N267-N291 WeakPolarHBondContact CA-OD1 3.3Å; N267-N291 WeakPolarHBondContact CB-OD1 3.48Å; N267-N291 PolarHBondContact N-ND2 2.68Å; N267-N291 PolarHBondContact O-OD1 3.14Å | ||
| 268 | K | 94.8 | Very high | 93.6 | Very high | 106 Ų | 106 | 38.5 Ų | 38.5 | 46% | 0.461 | 18% | 0.182 | S | C | . | . | trans | -116.8 | 30.8 | 176.4 | -60.5 | -167.1 | 176.5 | -167.1 | 0 | 111.2 | L245 R246 E270 L292 | L245-K268 CarbonylContact O-C 3.25Å; L245-K268 WeakPolarHBondContact O-CA 3.43Å; L245-K268 PolarHBondContact O-N 3.34Å; L245-K268 VanDerWaalsContact O-N 3.13Å; R246-K268 WeakPolarHBondContact CA-O 3.4Å; K268-E270 PolarHBondContact O-N 3.02Å; K268-L292 HydrophobicContact CB-CD1 4.06Å | ||
| 269 | A | 95 | Very high | 93.5 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | trans | -72.5 | 102.8 | -167.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | L245 R246 I248 N291 L292 I293 | L245-A269 VanDerWaalsContact O-CA 3.28Å; L245-A269 WeakPolarHBondContact O-CA 3.43Å; L245-A269 PolarHBondContact O-N 2.91Å; R246-A269 CarbonylContact O-C 3.07Å; R246-A269 WeakPolarHBondContact O-CA 3.37Å; I248-A269 HydrophobicContact CD1-CB 4.03Å; I248-A269 HydrophobicContact CG1-CB 4.09Å; A269-N291 VanDerWaalsContact CB-OD1 3.3Å; A269-N291 WeakPolarHBondContact CB-OD1 3.24Å; A269-N291 PolarHBondContact N-OD1 2.94Å; A269-L292 CarbonylContact O-C 3.32Å; A269-L292 WeakPolarHBondContact O-CA 3.17Å; A269-L292 PolarHBondContact O-N 3.2Å; A269-I293 HydrophobicContact CB-CG1 4.02Å; A269-I293 WeakPolarHBondContact O-CA 3.24Å; A269-I293 WeakPolarHBondContact O-CG1 3.37Å; A269-I293 PolarHBondContact O-N 3.17Å | ||
| 270 | E | 93.6 | Very high | 93.4 | Very high | 74 Ų | 74 | 39.3 Ų | 39.3 | 35% | 0.346 | 19% | 0.189 | S | C | . | . | trans | -81.9 | -36 | -179.4 | -68.4 | 159.1 | -137.5 | 0 | 0 | 111.1 | R246 K268 L292 S294 | R246-E270 WeakPolarHBondContact CD-OE1 3.38Å; R246-E270 IonicContact CZ-OE1 2.81Å; R246-E270 IonicContact NE-OE1 3.51Å; R246-E270 IonicContact NH1-OE1 2.71Å; R246-E270 PolarHBondContact NH1-OE1 2.8Å; R246-E270 IonicContact NH1-OE2 2.72Å; R246-E270 PolarHBondContact O-N 2.62Å; K268-E270 PolarHBondContact O-N 3.02Å; E270-L292 WeakPolarHBondContact CA-O 3.17Å; E270-L292 HydrophobicContact CB-CB 4.49Å; E270-L292 HydrophobicContact CG-CB 3.72Å; E270-L292 HydrophobicContact CG-CD1 3.84Å; E270-L292 HydrophobicContact CG-CG 4.45Å; E270-S294 PolarHBondContact O-OG 2.99Å; E270-S294 VanDerWaalsContact O-OG 3.11Å | ||
| 271 | E | 92 | Very high | 93.3 | Very high | 100 Ų | 100 | 36.9 Ų | 36.9 | 47% | 0.467 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 143.9 | -174 | -66.3 | -178.4 | 151.3 | 0 | 0 | 113 | R246 R247 I248 | R246-E271 PolarHBondContact O-N 3.39Å; R247-E271 VanDerWaalsContact CA-O 3.31Å; R247-E271 WeakPolarHBondContact CA-O 3.39Å; R247-E271 HydrophobicContact CB-CB 4.26Å; R247-E271 VanDerWaalsContact CD-OE2 3.22Å; R247-E271 WeakPolarHBondContact CD-OE2 3.41Å; R247-E271 HydrophobicContact CG-CB 3.87Å; R247-E271 IonicContact CZ-OE2 2.63Å; R247-E271 VanDerWaalsContact CZ-OE2 3.32Å; R247-E271 IonicContact NE-OE2 3.08Å; R247-E271 PolarHBondContact NE-OE2 2.98Å; R247-E271 IonicContact NH1-OE1 3.18Å; R247-E271 IonicContact NH1-OE2 3.57Å; R247-E271 PolarHBondContact NH1-OE2 2.81Å; I248-E271 PolarHBondContact N-O 3.09Å |
| 272 | V | 94.7 | Very high | 93 | Very high | 11 Ų | 11 | 37.5 Ų | 37.5 | 7% | 0.067 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 127.5 | 170.1 | -175.7 | 0 | 0 | 0 | 0 | 109.8 | I248 A276 F277 I293 L296 P297 T300 | I248-V272 HydrophobicContact CB-CG1 4.21Å; I248-V272 HydrophobicContact CB-CG2 4.17Å; I248-V272 HydrophobicContact CD1-CG2 4.07Å; I248-V272 HydrophobicContact CG1-CG2 4.36Å; I248-V272 WeakPolarHBondContact O-CA 3.36Å; V272-A276 HydrophobicContact CG1-CB 3.49Å; V272-A276 VanDerWaalsContact CG1-CB 3.49Å; V272-F277 HydrophobicContact CG1-CE2 4.31Å; V272-I293 HydrophobicContact CG2-CD1 4.1Å; V272-I293 HydrophobicContact CG2-CG1 4.21Å; V272-I293 HydrophobicContact CG2-CG2 3.89Å; V272-L296 HydrophobicContact CB-CD2 3.63Å; V272-L296 HydrophobicContact CG1-CD2 3.85Å; V272-L296 HydrophobicContact CG2-CD2 3.59Å; V272-P297 WeakPolarHBondContact O-CD 3.4Å; V272-P297 WeakPolarHBondContact O-CG 3.5Å; V272-T300 HydrophobicContact CG1-CG2 4.32Å |
| 273 | D | 94.1 | Very high | 92.8 | Very high | 27 Ų | 27 | 37.5 Ų | 37.5 | 14% | 0.144 | 19% | 0.189 | C | C | . | . | trans | -71.6 | 158.6 | 179.2 | -67.7 | -6 | 0 | 0 | 0 | 112.6 | R247 I248 T249 R250 R275 A276 T300 | R247-D273 IonicContact CZ-OD1 3.71Å; R247-D273 IonicContact NE-OD1 2.69Å; R247-D273 PolarHBondContact NE-OD1 3.33Å; R247-D273 IonicContact NH2-OD1 2.77Å; R247-D273 PolarHBondContact NH2-OD1 3.32Å; I248-D273 PolarHBondContact O-N 2.77Å; T249-D273 WeakPolarHBondContact CA-OD2 3.17Å; T249-D273 WeakPolarHBondContact CB-OD2 3.35Å; R250-D273 HydrophobicContact CB-CB 3.73Å; R250-D273 VanDerWaalsContact N-CB 3.33Å; R250-D273 PolarHBondContact N-OD2 2.9Å; D273-R275 PolarHBondContact O-N 2.89Å; D273-A276 WeakPolarHBondContact O-CB 3.4Å; D273-A276 PolarHBondContact O-N 2.86Å; D273-T300 PolarHBondContact O-OG1 2.75Å | ||
| 274 | D | 91.7 | Very high | 92.6 | Very high | 47 Ų | 47 | 39.5 Ų | 39.5 | 25% | 0.251 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 134.4 | 167 | -172.5 | 56.7 | 0 | 0 | 0 | 110.9 | R250 A276 P297 R298 N299 | R250-D274 WeakPolarHBondContact CB-O 3.46Å; D274-A276 VanDerWaalsContact C-N 3.32Å; D274-A276 PolarHBondContact O-N 3.19Å; D274-P297 HydrophobicContact CB-CB 3.7Å; D274-P297 HydrophobicContact CB-CG 4.26Å; D274-R298 PolarHBondContact OD1-N 3.07Å; D274-N299 VanDerWaalsContact CG-ND2 3.33Å; D274-N299 WeakPolarHBondContact OD1-CA 3.42Å; D274-N299 VanDerWaalsContact OD1-CB 3.27Å; D274-N299 WeakPolarHBondContact OD1-CB 3.28Å; D274-N299 PolarHBondContact OD1-N 2.66Å; D274-N299 PolarHBondContact OD1-ND2 3.5Å; D274-N299 PolarHBondContact OD2-ND2 2.94Å |
| 275 | R | 91.8 | Very high | 92.4 | Very high | 113 Ų | 113 | 41.8 Ų | 41.8 | 43% | 0.426 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 15 | -176.3 | -60.5 | -178.5 | 168.3 | 86.9 | -4.1 | 116.4 | D273 F277 A278 N299 D302 | D273-R275 PolarHBondContact O-N 2.89Å; R275-F277 PolarHBondContact O-N 2.76Å; R275-A278 HydrophobicContact CB-CB 3.65Å; R275-A278 HydrophobicContact CG-CB 4Å; R275-A278 WeakPolarHBondContact O-CB 3.42Å; R275-A278 PolarHBondContact O-N 3.34Å; R275-N299 HydrophobicContact CG-CB 3.52Å; R275-N299 PolarHBondContact NH1-ND2 2.84Å; R275-N299 VanDerWaalsContact NH1-ND2 3.16Å; R275-D302 IonicContact NE-OD2 2.68Å |
| 276 | A | 92.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -31.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | I248 V272 D273 D274 T300 | I248-A276 HydrophobicContact CG2-CB 4.21Å; V272-A276 HydrophobicContact CG1-CB 3.49Å; V272-A276 VanDerWaalsContact CG1-CB 3.49Å; D273-A276 WeakPolarHBondContact O-CB 3.4Å; D273-A276 PolarHBondContact O-N 2.86Å; D274-A276 VanDerWaalsContact C-N 3.32Å; D274-A276 PolarHBondContact O-N 3.19Å; A276-T300 HydrophobicContact CB-CG2 4.49Å |
| 277 | F | 94.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | 27 | 175.3 | -47.7 | -69.6 | 0 | 0 | 0 | 112 | I248 F253 L262 L264 V272 R275 L280 L286 L288 T300 F301 T304 | I248-F277 HydrophobicContact CD1-CZ 4.09Å; I248-F277 HydrophobicContact CG2-CE1 4.05Å; I248-F277 HydrophobicContact CG2-CZ 3.84Å; F253-F277 AromaticContact CD2-CD1 3.85Å; F253-F277 HydrophobicContact CD2-CD1 3.85Å; F253-F277 AromaticContact CD2-CE1 3.7Å; F253-F277 HydrophobicContact CD2-CE1 3.7Å; F253-F277 HydrophobicContact CE2-CD1 4.36Å; F253-F277 AromaticContact CE2-CE1 3.75Å; F253-F277 HydrophobicContact CE2-CE1 3.75Å; L262-F277 HydrophobicContact CD2-CD1 3.81Å; L262-F277 HydrophobicContact CD2-CE1 3.63Å; L264-F277 HydrophobicContact CD1-CE1 3.93Å; L264-F277 HydrophobicContact CD1-CZ 4.02Å; V272-F277 HydrophobicContact CG1-CE2 4.31Å; R275-F277 PolarHBondContact O-N 2.76Å; F277-L280 HydrophobicContact CB-CD1 4.1Å; F277-L286 HydrophobicContact CD1-CD2 4.36Å; F277-L286 HydrophobicContact CD2-CD2 4.11Å; F277-L286 HydrophobicContact CE2-CD2 4.31Å; F277-L286 HydrophobicContact CG-CD2 4.14Å; F277-L288 HydrophobicContact CE2-CD1 4.1Å; F277-L288 HydrophobicContact CE2-CD2 4.17Å; F277-L288 HydrophobicContact CZ-CD2 3.77Å; F277-T300 CarbonylContact C-O 3.54Å; F277-T300 VanDerWaalsContact CA-O 3.32Å; F277-T300 WeakPolarHBondContact CA-O 3.39Å; F277-T300 WeakPolarHBondContact CB-O 3.33Å; F277-T300 HydrophobicContact CD2-CG2 3.6Å; F277-T300 HydrophobicContact CE2-CG2 4.18Å; F277-T300 PolarHBondContact N-O 3.17Å; F277-T300 VanDerWaalsContact N-O 3.13Å; F277-F301 HydrophobicContact CB-CD1 3.87Å; F277-F301 HydrophobicContact CB-CE1 3.88Å; F277-F301 HydrophobicContact CD2-CD1 4.18Å; F277-F301 AromaticContact CD2-CE1 3.45Å; F277-F301 HydrophobicContact CD2-CE1 3.45Å; F277-F301 VanDerWaalsContact CD2-CE1 3.45Å; F277-F301 HydrophobicContact CD2-CZ 4.16Å; F277-F301 HydrophobicContact CE2-CE1 4.31Å; F277-F301 HydrophobicContact CG-CD1 4.46Å; F277-F301 AromaticContact CG-CE1 3.98Å; F277-F301 HydrophobicContact CG-CE1 3.98Å; F277-T304 WeakPolarHBondContact O-CB 3.23Å; F277-T304 WeakPolarHBondContact O-CG2 3.37Å; F277-T304 PolarHBondContact O-OG1 3.41Å |
| 278 | A | 89.8 | Confident | 92.5 | Very high | 10 Ų | 10 | 39 Ų | 39 | 8% | 0.083 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 155.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R275 L280 T300 D302 | R275-A278 HydrophobicContact CB-CB 3.65Å; R275-A278 HydrophobicContact CG-CB 4Å; R275-A278 WeakPolarHBondContact O-CB 3.42Å; R275-A278 PolarHBondContact O-N 3.34Å; A278-L280 VanDerWaalsContact C-N 3.31Å; A278-L280 PolarHBondContact O-N 2.81Å; A278-T300 PolarHBondContact N-O 2.82Å; A278-D302 CarbonylContact C-O 2.93Å; A278-D302 WeakPolarHBondContact CA-O 3.25Å; A278-D302 HydrophobicContact CB-CB 4.17Å; A278-D302 WeakPolarHBondContact CB-O 3.4Å |
| 279 | L | 88 | Confident | 92.5 | Very high | 119 Ų | 119 | 33.9 Ų | 33.9 | 62% | 0.623 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 36.7 | 179.1 | -52.6 | 175.6 | 0 | 0 | 0 | 113.5 | P281 D302 T304 | L279-P281 VanDerWaalsContact C-CD 3.42Å; L279-P281 WeakPolarHBondContact O-CD 3.22Å; L279-D302 PolarHBondContact N-O 3.35Å; L279-T304 PolarHBondContact N-OG1 2.94Å |
| 280 | L | 91.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -110.8 | 72.2 | 174.7 | -57.6 | 176 | 0 | 0 | 0 | 110 | F253 L256 L259 F277 A278 S282 L283 T304 | F253-L280 HydrophobicContact CB-CD1 4.37Å; L256-L280 HydrophobicContact CB-CD2 4.02Å; L256-L280 VanDerWaalsContact O-CD2 3.28Å; L256-L280 WeakPolarHBondContact O-CD2 3.36Å; L259-L280 HydrophobicContact CB-CD2 4.45Å; L259-L280 HydrophobicContact CD2-CD1 4.25Å; F277-L280 HydrophobicContact CB-CD1 4.1Å; A278-L280 VanDerWaalsContact C-N 3.31Å; A278-L280 PolarHBondContact O-N 2.81Å; L280-S282 PolarHBondContact O-N 2.85Å; L280-L283 HydrophobicContact CB-CB 4.04Å; L280-L283 HydrophobicContact CD1-CD2 4.26Å; L280-L283 WeakPolarHBondContact O-CB 3.27Å; L280-L283 PolarHBondContact O-N 3.02Å; L280-T304 HydrophobicContact CB-CG2 3.87Å; L280-T304 PolarHBondContact N-OG1 3.03Å; L280-T304 WeakPolarHBondContact O-CG2 3.3Å | ||
| 281 | P | 88.3 | Confident | 92.5 | Very high | 44 Ų | 44 | 34.3 Ų | 34.3 | 29% | 0.286 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -24.9 | -169.5 | 27.8 | -36.9 | 0 | 0 | 0 | 113.9 | L279 Q306 T307 | L279-P281 VanDerWaalsContact C-CD 3.42Å; L279-P281 WeakPolarHBondContact O-CD 3.22Å; P281-Q306 HydrophobicContact CB-CG 4.39Å; P281-T307 PolarHBondContact O-OG1 2.98Å |
| 282 | S | 89.2 | Confident | 92.6 | Very high | 32 Ų | 32 | 33.1 Ų | 33.1 | 22% | 0.224 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -13.6 | -179.3 | -58.6 | 0 | 0 | 0 | 0 | 114.2 | G257 L259 L280 R284 | G257-S282 VanDerWaalsContact O-CB 3.23Å; G257-S282 WeakPolarHBondContact O-CB 3.46Å; G257-S282 PolarHBondContact O-OG 2.96Å; L259-S282 CarbonylContact O-C 3.55Å; L280-S282 PolarHBondContact O-N 2.85Å; S282-R284 WeakPolarHBondContact O-CG 3.34Å; S282-R284 PolarHBondContact O-N 2.85Å |
| 283 | L | 91.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -65.6 | 123.8 | -172.2 | -165.5 | 74.2 | 0 | 0 | 0 | 110.9 | L259 L262 L280 L286 T304 F305 | L259-L283 HydrophobicContact CD2-CD1 4.39Å; L259-L283 HydrophobicContact CG-CD1 4.01Å; L259-L283 WeakPolarHBondContact O-CA 3.28Å; L259-L283 PolarHBondContact O-N 3.01Å; L262-L283 HydrophobicContact CB-CD1 4.26Å; L280-L283 HydrophobicContact CB-CB 4.04Å; L280-L283 HydrophobicContact CD1-CD2 4.26Å; L280-L283 WeakPolarHBondContact O-CB 3.27Å; L280-L283 PolarHBondContact O-N 3.02Å; L283-L286 HydrophobicContact CD2-CB 4.35Å; L283-L286 HydrophobicContact CD2-CD2 4.19Å; L283-T304 HydrophobicContact CB-CG2 3.97Å; L283-T304 HydrophobicContact CD2-CG2 3.7Å; L283-T304 HydrophobicContact CG-CG2 4.47Å; L283-F305 HydrophobicContact CD2-CE2 4Å; L283-F305 HydrophobicContact CD2-CZ 4.05Å; L283-F305 HydrophobicContact CG-CZ 4.39Å; L283-F305 WeakPolarHBondContact O-CA 3.45Å; L283-F305 VanDerWaalsContact O-CD1 3.23Å; L283-F305 WeakPolarHBondContact O-CD1 3.42Å | ||
| 284 | R | 90.5 | Very high | 92.4 | Very high | 72 Ų | 72 | 33.3 Ų | 33.3 | 27% | 0.272 | 17% | 0.171 | S | C | . | . | trans | -126.3 | -18.5 | 175.8 | -49.5 | -163.8 | -151.9 | 148.6 | 9 | 113.6 | Y260 S282 R311 V312 | Y260-R284 HydrophobicContact CD2-CB 4.13Å; Y260-R284 HydrophobicContact CD2-CG 3.93Å; Y260-R284 HydrophobicContact CE2-CB 3.76Å; Y260-R284 HydrophobicContact CE2-CG 3.77Å; Y260-R284 PolarHBondContact O-N 3.01Å; S282-R284 WeakPolarHBondContact O-CG 3.34Å; S282-R284 PolarHBondContact O-N 2.85Å; R284-R311 CarbonylContact O-C 3.05Å; R284-R311 WeakPolarHBondContact O-CA 3.34Å; R284-V312 PolarHBondContact O-N 2.72Å | ||
| 285 | H | 93.4 | Very high | 92.4 | Very high | 49 Ų | 49 | 32.1 Ų | 32.1 | 23% | 0.227 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 124.6 | 175.7 | -166.6 | 96.5 | 0 | 0 | 0 | 110 | Y260 S261 L262 V312 Y314 | Y260-H285 PolarHBondContact O-N 3.17Å; S261-H285 CarbonylContact C-O 3.55Å; S261-H285 VanDerWaalsContact CA-O 3.25Å; S261-H285 WeakPolarHBondContact CA-O 3.49Å; L262-H285 PolarHBondContact N-O 2.98Å; H285-V312 CarbonylContact C-O 2.91Å; H285-V312 WeakPolarHBondContact CA-O 3.49Å; H285-Y314 AromaticContact CE1-CE2 3.72Å |
| 286 | L | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 122.8 | 171.9 | 175.1 | 48.6 | 0 | 0 | 0 | 108 | L262 L264 F277 L283 L288 F301 F305 V312 L313 Y314 | L262-L286 HydrophobicContact CB-CD1 3.98Å; L262-L286 HydrophobicContact CD2-CD1 3.95Å; L262-L286 HydrophobicContact CG-CD1 3.81Å; L262-L286 CarbonylContact O-C 3.45Å; L262-L286 VanDerWaalsContact O-CA 3.23Å; L262-L286 WeakPolarHBondContact O-CA 3.13Å; L262-L286 VanDerWaalsContact O-CD1 3.31Å; L262-L286 WeakPolarHBondContact O-CD1 3.43Å; L264-L286 HydrophobicContact CD1-CD1 4.36Å; F277-L286 HydrophobicContact CD1-CD2 4.36Å; F277-L286 HydrophobicContact CD2-CD2 4.11Å; F277-L286 HydrophobicContact CE2-CD2 4.31Å; F277-L286 HydrophobicContact CG-CD2 4.14Å; L283-L286 HydrophobicContact CD2-CB 4.35Å; L283-L286 HydrophobicContact CD2-CD2 4.19Å; L286-L288 HydrophobicContact CD1-CD2 4.01Å; L286-L288 HydrophobicContact CD1-CG 3.93Å; L286-L288 HydrophobicContact CD2-CD1 4.18Å; L286-L288 HydrophobicContact CD2-CG 4.4Å; L286-L288 HydrophobicContact CG-CD1 4.24Å; L286-L288 HydrophobicContact CG-CG 3.98Å; L286-F301 HydrophobicContact CD2-CE1 3.55Å; L286-F301 HydrophobicContact CD2-CZ 4.03Å; L286-F305 HydrophobicContact CB-CZ 3.94Å; L286-V312 PolarHBondContact N-O 3.04Å; L286-L313 HydrophobicContact CB-CD1 3.79Å; L286-L313 HydrophobicContact CD2-CD1 3.66Å; L286-L313 HydrophobicContact CG-CD1 3.59Å; L286-L313 CarbonylContact O-C 3.41Å; L286-L313 WeakPolarHBondContact O-CA 3.47Å; L286-Y314 PolarHBondContact O-N 3.11Å |
| 287 | D | 95 | Very high | 92.5 | Very high | 11 Ų | 11 | 28.4 Ų | 28.4 | 6% | 0.059 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 114.9 | 170.7 | -163.6 | -20.2 | 0 | 0 | 0 | 109.4 | L262 L264 K265 S289 Y314 Y316 | L262-D287 PolarHBondContact O-N 3.5Å; L264-D287 CarbonylContact C-O 3.57Å; L264-D287 WeakPolarHBondContact CA-O 3.08Å; L264-D287 WeakPolarHBondContact CB-O 3.08Å; L264-D287 PolarHBondContact N-O 3.35Å; K265-D287 HydrophobicContact CB-CB 4.46Å; K265-D287 PolarHBondContact N-O 2.7Å; D287-S289 WeakPolarHBondContact OD1-CB 3.36Å; D287-S289 PolarHBondContact OD1-N 2.95Å; D287-S289 PolarHBondContact OD1-OG 3.01Å; D287-S289 PolarHBondContact OD2-OG 2.88Å; D287-Y314 HydrophobicContact CB-CD2 4.12Å; D287-Y314 WeakPolarHBondContact OD1-CB 3.35Å; D287-Y314 WeakPolarHBondContact OD2-CD2 3.49Å; D287-Y316 PolarHBondContact OD2-OH 2.93Å |
| 288 | L | 95.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -111.4 | 9.3 | 174.5 | -66.4 | 170.5 | 0 | 0 | 0 | 111.4 | I248 L264 F277 L286 N291 I293 F301 L313 Y314 L315 N318 | I248-L288 HydrophobicContact CD1-CD2 4.14Å; L264-L288 HydrophobicContact CB-CD2 4.13Å; L264-L288 HydrophobicContact CD1-CD2 3.78Å; F277-L288 HydrophobicContact CE2-CD1 4.1Å; F277-L288 HydrophobicContact CE2-CD2 4.17Å; F277-L288 HydrophobicContact CZ-CD2 3.77Å; L286-L288 HydrophobicContact CD1-CD2 4.01Å; L286-L288 HydrophobicContact CD1-CG 3.93Å; L286-L288 HydrophobicContact CD2-CD1 4.18Å; L286-L288 HydrophobicContact CD2-CG 4.4Å; L286-L288 HydrophobicContact CG-CD1 4.24Å; L286-L288 HydrophobicContact CG-CG 3.98Å; L288-N291 WeakPolarHBondContact O-CB 3.48Å; L288-N291 PolarHBondContact O-ND2 2.83Å; L288-I293 HydrophobicContact CB-CD1 4.14Å; L288-I293 HydrophobicContact CD1-CD1 4.47Å; L288-I293 HydrophobicContact CD2-CD1 4.15Å; L288-I293 HydrophobicContact CG-CD1 4.49Å; L288-F301 HydrophobicContact CD1-CZ 4.43Å; L288-L313 HydrophobicContact CD1-CD1 4.19Å; L288-Y314 PolarHBondContact N-O 3.19Å; L288-L315 HydrophobicContact CB-CD2 4.21Å; L288-L315 HydrophobicContact CD1-CD2 3.99Å; L288-N318 PolarHBondContact O-ND2 2.97Å | ||
| 289 | S | 93.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -67.4 | 169 | -172.4 | 64.4 | 0 | 0 | 0 | 0 | 113.8 | K265 G266 D287 N291 Y316 N318 | K265-S289 CarbonylContact C-O 3.48Å; K265-S289 WeakPolarHBondContact CA-O 3.38Å; K265-S289 VanDerWaalsContact CD-OG 3.25Å; K265-S289 WeakPolarHBondContact CD-OG 3.45Å; K265-S289 WeakPolarHBondContact CE-OG 3.47Å; K265-S289 VanDerWaalsContact CG-OG 3.26Å; K265-S289 WeakPolarHBondContact CG-OG 3.26Å; G266-S289 PolarHBondContact N-O 3.11Å; D287-S289 WeakPolarHBondContact OD1-CB 3.36Å; D287-S289 PolarHBondContact OD1-N 2.95Å; D287-S289 PolarHBondContact OD1-OG 3.01Å; D287-S289 PolarHBondContact OD2-OG 2.88Å; S289-N291 PolarHBondContact O-N 2.76Å; S289-N291 PolarHBondContact O-ND2 2.91Å; S289-Y316 CarbonylContact C-O 3.49Å; S289-Y316 WeakPolarHBondContact CA-O 3.39Å; S289-Y316 WeakPolarHBondContact CB-O 3.32Å; S289-Y316 WeakPolarHBondContact OG-CE2 3.31Å; S289-Y316 PolarHBondContact OG-OH 2.96Å; S289-N318 WeakPolarHBondContact CA-ND2 3.21Å | ||
| 290 | D | 94.2 | Very high | 92.5 | Very high | 74 Ų | 74 | 33 Ų | 33 | 40% | 0.396 | 17% | 0.166 | S | C | . | . | S | Bend | trans | 54.3 | 54.9 | 172.8 | -169.1 | 26.4 | 0 | 0 | 0 | 111.3 | K265 G266 N267 Y316 E317 | K265-D290 HydrophobicContact CG-CB 3.96Å; G266-D290 CarbonylContact C-O 3.4Å; G266-D290 VanDerWaalsContact C-O 3.23Å; G266-D290 WeakPolarHBondContact CA-O 3.41Å; G266-D290 PolarHBondContact N-O 2.72Å; N267-D290 PolarHBondContact N-O 3.19Å; D290-Y316 PolarHBondContact N-O 3.07Å; D290-E317 CarbonylContact C-O 3.13Å; D290-E317 WeakPolarHBondContact CA-O 3.3Å; D290-E317 HydrophobicContact CB-CB 4.47Å; D290-E317 PolarHBondContact N-O 3.39Å; D290-E317 VanDerWaalsContact N-O 3.16Å |
| 291 | N | 94.6 | Very high | 92.6 | Very high | 9 Ų | 9 | 33 Ų | 33 | 5% | 0.048 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -140.4 | -176.6 | -168.2 | -105.2 | -81.2 | 0 | 0 | 0 | 111.4 | L264 N267 A269 L288 S289 I293 E317 N318 P319 | L264-N291 PolarHBondContact O-ND2 2.78Å; N267-N291 WeakPolarHBondContact CA-OD1 3.3Å; N267-N291 WeakPolarHBondContact CB-OD1 3.48Å; N267-N291 PolarHBondContact N-ND2 2.68Å; N267-N291 PolarHBondContact O-OD1 3.14Å; A269-N291 VanDerWaalsContact CB-OD1 3.3Å; A269-N291 WeakPolarHBondContact CB-OD1 3.24Å; A269-N291 PolarHBondContact N-OD1 2.94Å; L288-N291 WeakPolarHBondContact O-CB 3.48Å; L288-N291 PolarHBondContact O-ND2 2.83Å; S289-N291 PolarHBondContact O-N 2.76Å; S289-N291 PolarHBondContact O-ND2 2.91Å; N291-I293 HydrophobicContact CB-CG1 4.26Å; N291-E317 PolarHBondContact N-O 2.82Å; N291-N318 WeakPolarHBondContact CB-OD1 3.25Å; N291-P319 WeakPolarHBondContact O-CD 3.4Å |
| 292 | L | 95 | Very high | 92.6 | Very high | 75 Ų | 75 | 34.6 Ų | 34.6 | 39% | 0.393 | 17% | 0.172 | S | C | . | . | trans | -106.1 | 18.6 | 176.9 | -63.9 | -178.5 | 0 | 0 | 0 | 113.8 | K268 A269 E270 S294 P319 | K268-L292 HydrophobicContact CB-CD1 4.06Å; A269-L292 CarbonylContact O-C 3.32Å; A269-L292 WeakPolarHBondContact O-CA 3.17Å; A269-L292 PolarHBondContact O-N 3.2Å; E270-L292 WeakPolarHBondContact CA-O 3.17Å; E270-L292 HydrophobicContact CB-CB 4.49Å; E270-L292 HydrophobicContact CG-CB 3.72Å; E270-L292 HydrophobicContact CG-CD1 3.84Å; E270-L292 HydrophobicContact CG-CG 4.45Å; L292-S294 PolarHBondContact O-N 3.27Å; L292-S294 VanDerWaalsContact O-N 3.16Å; L292-P319 VanDerWaalsContact CA-CG 3.4Å; L292-P319 HydrophobicContact CB-CG 4.28Å; L292-P319 HydrophobicContact CD2-CG 4.45Å; L292-P319 WeakPolarHBondContact O-CG 3.02Å | ||
| 293 | I | 94.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -72.8 | 119.3 | -169.7 | -52.6 | 169.4 | 0 | 0 | 0 | 110 | A269 V272 L288 N291 L296 N318 P319 W320 | A269-I293 HydrophobicContact CB-CG1 4.02Å; A269-I293 WeakPolarHBondContact O-CA 3.24Å; A269-I293 WeakPolarHBondContact O-CG1 3.37Å; A269-I293 PolarHBondContact O-N 3.17Å; V272-I293 HydrophobicContact CG2-CD1 4.1Å; V272-I293 HydrophobicContact CG2-CG1 4.21Å; V272-I293 HydrophobicContact CG2-CG2 3.89Å; L288-I293 HydrophobicContact CB-CD1 4.14Å; L288-I293 HydrophobicContact CD1-CD1 4.47Å; L288-I293 HydrophobicContact CD2-CD1 4.15Å; L288-I293 HydrophobicContact CG-CD1 4.49Å; N291-I293 HydrophobicContact CB-CG1 4.26Å; I293-L296 HydrophobicContact CG2-CD2 3.81Å; I293-N318 VanDerWaalsContact CB-OD1 3.28Å; I293-N318 WeakPolarHBondContact CB-OD1 3.04Å; I293-N318 WeakPolarHBondContact CG1-OD1 3.27Å; I293-N318 PolarHBondContact N-OD1 3.4Å; I293-P319 CarbonylContact O-C 3.41Å; I293-P319 VanDerWaalsContact O-C 3.24Å; I293-W320 HydrophobicContact CB-CE3 4.4Å; I293-W320 HydrophobicContact CB-CH2 3.81Å; I293-W320 HydrophobicContact CB-CZ2 4.4Å; I293-W320 HydrophobicContact CB-CZ3 3.82Å; I293-W320 HydrophobicContact CD1-CH2 3.95Å; I293-W320 HydrophobicContact CD1-CZ2 4.45Å; I293-W320 HydrophobicContact CG1-CH2 4.49Å; I293-W320 HydrophobicContact CG2-CE3 4.08Å; I293-W320 HydrophobicContact CG2-CH2 3.61Å; I293-W320 HydrophobicContact CG2-CZ3 3.28Å; I293-W320 WeakPolarHBondContact O-CA 3.44Å; I293-W320 PolarHBondContact O-N 3.11Å | ||
| 294 | S | 90.5 | Very high | 92.1 | Very high | 43 Ų | 43 | 34 Ų | 34 | 30% | 0.301 | 17% | 0.171 | S | C | . | . | trans | -76.3 | -74.6 | 171.4 | 53.1 | 0 | 0 | 0 | 0 | 110.1 | E270 L292 W320 N321 | E270-S294 PolarHBondContact O-OG 2.99Å; E270-S294 VanDerWaalsContact O-OG 3.11Å; L292-S294 PolarHBondContact O-N 3.27Å; L292-S294 VanDerWaalsContact O-N 3.16Å; S294-W320 CarbonylContact O-C 3.55Å; S294-W320 WeakPolarHBondContact O-CA 3.02Å; S294-N321 CarbonylContact O-C 3.38Å; S294-N321 WeakPolarHBondContact O-CA 3.46Å; S294-N321 PolarHBondContact O-N 3.21Å | ||
| 295 | T | 90.6 | Very high | 91.8 | Very high | 22 Ų | 22 | 30.5 Ų | 30.5 | 14% | 0.135 | 16% | 0.158 | C | C | . | . | trans | -128.5 | 164.8 | -176.2 | -163.3 | 0 | 0 | 0 | 0 | 112.2 | D323 L326 | T295-D323 PolarHBondContact OG1-OD1 3.37Å; T295-L326 WeakPolarHBondContact OG1-CB 3.43Å; T295-L326 PolarHBondContact OG1-N 2.94Å; T295-L326 VanDerWaalsContact OG1-N 3.1Å | ||
| 296 | L | 93.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -124.8 | 133.5 | 172.7 | -59.3 | -172.5 | 0 | 0 | 0 | 108 | V272 I293 T300 F301 W320 L326 W328 L329 | V272-L296 HydrophobicContact CB-CD2 3.63Å; V272-L296 HydrophobicContact CG1-CD2 3.85Å; V272-L296 HydrophobicContact CG2-CD2 3.59Å; I293-L296 HydrophobicContact CG2-CD2 3.81Å; L296-T300 HydrophobicContact CB-CG2 4.36Å; L296-T300 HydrophobicContact CD1-CG2 4.11Å; L296-F301 HydrophobicContact CD1-CE2 3.93Å; L296-F301 HydrophobicContact CD1-CZ 4.03Å; L296-W320 HydrophobicContact CD1-CH2 4.13Å; L296-W320 HydrophobicContact CD1-CZ3 4.26Å; L296-W320 HydrophobicContact CD2-CH2 3.99Å; L296-W320 HydrophobicContact CD2-CZ3 3.9Å; L296-W320 HydrophobicContact CG-CH2 3.95Å; L296-W320 HydrophobicContact CG-CZ3 3.66Å; L296-L326 HydrophobicContact CB-CD1 3.8Å; L296-L326 HydrophobicContact CG-CD1 4.09Å; L296-W328 HydrophobicContact CB-CZ2 3.7Å; L296-W328 HydrophobicContact CD1-CZ2 4.38Å; L296-W328 PolarHBondContact O-NE1 2.77Å; L296-L329 HydrophobicContact CD1-CD1 4.31Å; L296-L329 HydrophobicContact CD1-CD2 3.91Å; L296-L329 HydrophobicContact CG-CD2 4.39Å | ||
| 297 | P | 92.5 | Very high | 89.5 | Confident | 35 Ų | 35 | 36.8 Ų | 36.8 | 23% | 0.227 | 19% | 0.192 | C | C | . | . | trans | -77.3 | 166.1 | 178.2 | -20.2 | 34.8 | 0 | 0 | 0 | 115.3 | V272 D274 N299 T300 W328 | V272-P297 WeakPolarHBondContact O-CD 3.4Å; V272-P297 WeakPolarHBondContact O-CG 3.5Å; D274-P297 HydrophobicContact CB-CB 3.7Å; D274-P297 HydrophobicContact CB-CG 4.26Å; P297-N299 VanDerWaalsContact C-N 3.29Å; P297-N299 PolarHBondContact O-N 3.18Å; P297-T300 WeakPolarHBondContact O-CB 3.47Å; P297-T300 PolarHBondContact O-N 3.49Å; P297-T300 VanDerWaalsContact O-N 3.13Å; P297-T300 PolarHBondContact O-OG1 2.84Å; P297-W328 VanDerWaalsContact C-NE1 3.29Å; P297-W328 WeakPolarHBondContact O-CZ2 3.33Å; P297-W328 PolarHBondContact O-NE1 3.36Å | ||
| 298 | R | 88.5 | Confident | 87.9 | Confident | 183 Ų | 183 | 38 Ų | 38 | 69% | 0.691 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -34.2 | -160.8 | -174.6 | 165.2 | -176.7 | 178.3 | 2.7 | 117 | D274 W328 | D274-R298 PolarHBondContact OD1-N 3.07Å; R298-W328 VanDerWaalsContact CA-CG 3.48Å; R298-W328 HydrophobicContact CB-CB 4.45Å; R298-W328 HydrophobicContact CB-CG 4.11Å; R298-W328 HydrophobicContact CG-CB 3.87Å; R298-W328 HydrophobicContact CG-CG 3.99Å; R298-W328 VanDerWaalsContact O-CD2 3.22Å; R298-W328 VanDerWaalsContact O-CE3 3.26Å |
| 299 | N | 91.5 | Very high | 86.6 | Confident | 43 Ų | 43 | 42 Ų | 42 | 23% | 0.23 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 13.4 | -170.4 | -43.2 | -74 | 0 | 0 | 0 | 111.7 | D274 R275 P297 F301 D302 | D274-N299 VanDerWaalsContact CG-ND2 3.33Å; D274-N299 WeakPolarHBondContact OD1-CA 3.42Å; D274-N299 VanDerWaalsContact OD1-CB 3.27Å; D274-N299 WeakPolarHBondContact OD1-CB 3.28Å; D274-N299 PolarHBondContact OD1-N 2.66Å; D274-N299 PolarHBondContact OD1-ND2 3.5Å; D274-N299 PolarHBondContact OD2-ND2 2.94Å; R275-N299 HydrophobicContact CG-CB 3.52Å; R275-N299 PolarHBondContact NH1-ND2 2.84Å; R275-N299 VanDerWaalsContact NH1-ND2 3.16Å; P297-N299 VanDerWaalsContact C-N 3.29Å; P297-N299 PolarHBondContact O-N 3.18Å; N299-F301 PolarHBondContact O-N 3.27Å; N299-F301 VanDerWaalsContact O-N 3.16Å; N299-D302 HydrophobicContact CB-CB 4Å; N299-D302 WeakPolarHBondContact O-CB 3.41Å; N299-D302 PolarHBondContact O-N 3.28Å |
| 300 | T | 93.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -29.3 | -176.3 | -70.1 | 0 | 0 | 0 | 0 | 114.4 | V272 D273 A276 F277 A278 L296 P297 | V272-T300 HydrophobicContact CG1-CG2 4.32Å; D273-T300 PolarHBondContact O-OG1 2.75Å; A276-T300 HydrophobicContact CB-CG2 4.49Å; F277-T300 CarbonylContact C-O 3.54Å; F277-T300 VanDerWaalsContact CA-O 3.32Å; F277-T300 WeakPolarHBondContact CA-O 3.39Å; F277-T300 WeakPolarHBondContact CB-O 3.33Å; F277-T300 HydrophobicContact CD2-CG2 3.6Å; F277-T300 HydrophobicContact CE2-CG2 4.18Å; F277-T300 PolarHBondContact N-O 3.17Å; F277-T300 VanDerWaalsContact N-O 3.13Å; A278-T300 PolarHBondContact N-O 2.82Å; L296-T300 HydrophobicContact CB-CG2 4.36Å; L296-T300 HydrophobicContact CD1-CG2 4.11Å; P297-T300 WeakPolarHBondContact O-CB 3.47Å; P297-T300 PolarHBondContact O-N 3.49Å; P297-T300 VanDerWaalsContact O-N 3.13Å; P297-T300 PolarHBondContact O-OG1 2.84Å |
| 301 | F | 92.2 | Very high | 85.3 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.009 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 25.6 | 172.1 | -59.2 | -49.7 | 0 | 0 | 0 | 113.8 | F277 L286 L288 L296 N299 G303 T304 F305 L313 W328 L329 W332 | F277-F301 HydrophobicContact CB-CD1 3.87Å; F277-F301 HydrophobicContact CB-CE1 3.88Å; F277-F301 HydrophobicContact CD2-CD1 4.18Å; F277-F301 AromaticContact CD2-CE1 3.45Å; F277-F301 HydrophobicContact CD2-CE1 3.45Å; F277-F301 VanDerWaalsContact CD2-CE1 3.45Å; F277-F301 HydrophobicContact CD2-CZ 4.16Å; F277-F301 HydrophobicContact CE2-CE1 4.31Å; F277-F301 HydrophobicContact CG-CD1 4.46Å; F277-F301 AromaticContact CG-CE1 3.98Å; F277-F301 HydrophobicContact CG-CE1 3.98Å; L286-F301 HydrophobicContact CD2-CE1 3.55Å; L286-F301 HydrophobicContact CD2-CZ 4.03Å; L288-F301 HydrophobicContact CD1-CZ 4.43Å; L296-F301 HydrophobicContact CD1-CE2 3.93Å; L296-F301 HydrophobicContact CD1-CZ 4.03Å; N299-F301 PolarHBondContact O-N 3.27Å; N299-F301 VanDerWaalsContact O-N 3.16Å; F301-G303 PolarHBondContact O-N 2.94Å; F301-T304 PolarHBondContact O-N 2.89Å; F301-F305 HydrophobicContact CD1-CE2 4.18Å; F301-F305 HydrophobicContact CE1-CE2 4.34Å; F301-L313 HydrophobicContact CD2-CD2 4.24Å; F301-L313 HydrophobicContact CE1-CD1 4.49Å; F301-L313 HydrophobicContact CE2-CD1 4.46Å; F301-L313 HydrophobicContact CE2-CD2 3.54Å; F301-L313 HydrophobicContact CZ-CD1 3.86Å; F301-L313 HydrophobicContact CZ-CD2 3.77Å; F301-L313 HydrophobicContact CZ-CG 4.49Å; F301-W328 HydrophobicContact CB-CH2 4.36Å; F301-W328 HydrophobicContact CB-CZ3 4.25Å; F301-W328 AromaticContact CD2-CH2 3.51Å; F301-W328 HydrophobicContact CD2-CH2 3.51Å; F301-W328 AromaticContact CD2-CZ3 3.9Å; F301-W328 HydrophobicContact CD2-CZ3 3.9Å; F301-W328 HydrophobicContact CE2-CH2 4.08Å; F301-W328 HydrophobicContact CG-CH2 4.16Å; F301-W328 HydrophobicContact CG-CZ3 4.47Å; F301-L329 HydrophobicContact CD2-CD1 3.93Å; F301-L329 HydrophobicContact CE2-CD1 3.59Å; F301-W332 HydrophobicContact CB-CD2 4.33Å; F301-W332 HydrophobicContact CB-CH2 4.31Å; F301-W332 HydrophobicContact CB-CZ2 3.67Å; F301-W332 HydrophobicContact CD2-CD2 4.22Å; F301-W332 HydrophobicContact CD2-CE3 4.07Å; F301-W332 HydrophobicContact CD2-CH2 4.2Å; F301-W332 HydrophobicContact CD2-CZ2 4.32Å; F301-W332 HydrophobicContact CD2-CZ3 4.07Å; F301-W332 HydrophobicContact CG-CH2 4.29Å; F301-W332 HydrophobicContact CG-CZ2 4.14Å |
| 302 | D | 89.8 | Confident | 85.1 | Confident | 76 Ų | 76 | 47 Ų | 47 | 41% | 0.406 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 131.8 | 176.6 | -173.7 | 15.8 | 0 | 0 | 0 | 111.1 | R275 A278 L279 N299 T304 | R275-D302 IonicContact NE-OD2 2.68Å; A278-D302 CarbonylContact C-O 2.93Å; A278-D302 WeakPolarHBondContact CA-O 3.25Å; A278-D302 HydrophobicContact CB-CB 4.17Å; A278-D302 WeakPolarHBondContact CB-O 3.4Å; L279-D302 PolarHBondContact N-O 3.35Å; N299-D302 HydrophobicContact CB-CB 4Å; N299-D302 WeakPolarHBondContact O-CB 3.41Å; N299-D302 PolarHBondContact O-N 3.28Å; D302-T304 PolarHBondContact O-N 3.42Å; D302-T304 PolarHBondContact O-OG1 2.96Å |
| 303 | G | 84.5 | Confident | 85 | Confident | 19 Ų | 19 | 43.4 Ų | 43.4 | 20% | 0.196 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 9.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | F301 Q306 | F301-G303 PolarHBondContact O-N 2.94Å; G303-Q306 WeakPolarHBondContact O-CG 3.19Å; G303-Q306 PolarHBondContact O-NE2 3.04Å |
| 304 | T | 86.3 | Confident | 85 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -112.9 | 160.8 | -170.5 | -63.3 | 0 | 0 | 0 | 0 | 112.8 | F277 L279 L280 L283 F301 D302 Q306 R336 | F277-T304 WeakPolarHBondContact O-CB 3.23Å; F277-T304 WeakPolarHBondContact O-CG2 3.37Å; F277-T304 PolarHBondContact O-OG1 3.41Å; L279-T304 PolarHBondContact N-OG1 2.94Å; L280-T304 HydrophobicContact CB-CG2 3.87Å; L280-T304 PolarHBondContact N-OG1 3.03Å; L280-T304 WeakPolarHBondContact O-CG2 3.3Å; L283-T304 HydrophobicContact CB-CG2 3.97Å; L283-T304 HydrophobicContact CD2-CG2 3.7Å; L283-T304 HydrophobicContact CG-CG2 4.47Å; F301-T304 PolarHBondContact O-N 2.89Å; D302-T304 PolarHBondContact O-N 3.42Å; D302-T304 PolarHBondContact O-OG1 2.96Å; T304-Q306 VanDerWaalsContact C-N 3.34Å; T304-Q306 PolarHBondContact O-N 3.2Å; T304-R336 PolarHBondContact O-NH1 3.32Å | ||
| 305 | F | 83.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | S | Bend | trans | 53.4 | 43 | -171.3 | -64.3 | -90.4 | 0 | 0 | 0 | 113.6 | L283 L286 F301 R311 V312 L313 W332 R336 I339 | L283-F305 HydrophobicContact CD2-CE2 4Å; L283-F305 HydrophobicContact CD2-CZ 4.05Å; L283-F305 HydrophobicContact CG-CZ 4.39Å; L283-F305 WeakPolarHBondContact O-CA 3.45Å; L283-F305 VanDerWaalsContact O-CD1 3.23Å; L283-F305 WeakPolarHBondContact O-CD1 3.42Å; L286-F305 HydrophobicContact CB-CZ 3.94Å; F301-F305 HydrophobicContact CD1-CE2 4.18Å; F301-F305 HydrophobicContact CE1-CE2 4.34Å; F305-R311 HydrophobicContact CD1-CB 4.35Å; F305-R311 PolarHBondContact O-NH1 2.84Å; F305-V312 WeakPolarHBondContact CE1-O 3.19Å; F305-L313 HydrophobicContact CE2-CD2 4.47Å; F305-L313 HydrophobicContact CZ-CB 4.12Å; F305-L313 HydrophobicContact CZ-CD1 4.43Å; F305-W332 HydrophobicContact CB-CH2 4.06Å; F305-W332 HydrophobicContact CB-CZ2 4.04Å; F305-W332 AromaticContact CD2-CH2 3.27Å; F305-W332 HydrophobicContact CD2-CH2 3.27Å; F305-W332 AromaticContact CD2-CZ2 3.62Å; F305-W332 HydrophobicContact CD2-CZ2 3.62Å; F305-W332 HydrophobicContact CD2-CZ3 4.46Å; F305-W332 AromaticContact CE2-CH2 3.79Å; F305-W332 HydrophobicContact CE2-CH2 3.79Å; F305-W332 HydrophobicContact CE2-CZ2 4.44Å; F305-W332 AromaticContact CG-CH2 3.81Å; F305-W332 HydrophobicContact CG-CH2 3.81Å; F305-W332 HydrophobicContact CG-CZ2 4.17Å; F305-R336 PolarHBondContact O-NH1 3.4Å; F305-I339 HydrophobicContact CG-CD1 4.43Å |
| 306 | Q | 73.6 | Confident | 85.1 | Confident | 111 Ų | 111 | 42.7 Ų | 42.7 | 52% | 0.519 | 23% | 0.23 | S | C | . | . | trans | -76.7 | -43.6 | -175.9 | -62.4 | -167.9 | 15.6 | 0 | 0 | 112.8 | P281 G303 T304 R311 | P281-Q306 HydrophobicContact CB-CG 4.39Å; G303-Q306 WeakPolarHBondContact O-CG 3.19Å; G303-Q306 PolarHBondContact O-NE2 3.04Å; T304-Q306 VanDerWaalsContact C-N 3.34Å; T304-Q306 PolarHBondContact O-N 3.2Å; Q306-R311 VanDerWaalsContact C-NH2 3.33Å; Q306-R311 PolarHBondContact O-NH2 2.69Å | ||
| 307 | T | 66.9 | Low | 85 | Confident | 69 Ų | 69 | 46.5 Ų | 46.5 | 42% | 0.423 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -117.1 | 163 | -164.4 | 66.6 | 0 | 0 | 0 | 0 | 113.8 | P281 R311 | P281-T307 PolarHBondContact O-OG1 2.98Å; T307-R311 PolarHBondContact O-NH2 3.44Å |
| 308 | G | 61.7 | Low | 85 | Confident | 37 Ų | 37 | 44.9 Ų | 44.9 | 38% | 0.381 | 24% | 0.237 | S | C | . | . | trans | 73.7 | 166.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | R311 | G308-R311 PolarHBondContact O-NE 2.86Å; G308-R311 PolarHBondContact O-NH2 2.79Å | ||
| 309 | S | 67.7 | Low | 85.1 | Confident | 83 Ų | 83 | 38.2 Ų | 38.2 | 58% | 0.58 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -89 | 174.9 | 174.4 | 52.3 | 0 | 0 | 0 | 0 | 112.4 | ||
| 310 | N | 74 | Confident | 85.1 | Confident | 138 Ų | 138 | 36.2 Ų | 36.2 | 74% | 0.738 | 21% | 0.207 | S | C | * | . | trans | 55.4 | 53.7 | 176.4 | -59.1 | 0.4 | 0 | 0 | 0 | 113 | ||||
| 311 | R | 87.7 | Confident | 84.9 | Confident | 34 Ų | 34 | 37.8 Ų | 37.8 | 13% | 0.128 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 138.7 | 178.1 | -58 | 173.2 | -170.9 | -173.4 | -16.2 | 110.1 | R284 F305 Q306 T307 G308 E338 I339 V340 | R284-R311 CarbonylContact O-C 3.05Å; R284-R311 WeakPolarHBondContact O-CA 3.34Å; F305-R311 HydrophobicContact CD1-CB 4.35Å; F305-R311 PolarHBondContact O-NH1 2.84Å; Q306-R311 VanDerWaalsContact C-NH2 3.33Å; Q306-R311 PolarHBondContact O-NH2 2.69Å; T307-R311 PolarHBondContact O-NH2 3.44Å; G308-R311 PolarHBondContact O-NE 2.86Å; G308-R311 PolarHBondContact O-NH2 2.79Å; R311-E338 WeakPolarHBondContact CD-OE1 3.39Å; R311-E338 IonicContact CZ-OE1 3.32Å; R311-E338 IonicContact NE-OE1 2.73Å; R311-E338 IonicContact NH1-OE1 3.34Å; R311-E338 PolarHBondContact NH1-OE1 2.86Å; R311-I339 HydrophobicContact CB-CB 4.33Å; R311-I339 HydrophobicContact CB-CG1 3.79Å; R311-I339 CarbonylContact O-C 3.59Å; R311-I339 WeakPolarHBondContact O-CA 3.22Å; R311-V340 PolarHBondContact O-N 2.6Å |
| 312 | V | 90 | Very high | 84.6 | Confident | 17 Ų | 17 | 37.7 Ų | 37.7 | 10% | 0.103 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 132.2 | -176 | -174.5 | 0 | 0 | 0 | 0 | 108.9 | R284 H285 L286 F305 Y314 V340 | R284-V312 PolarHBondContact O-N 2.72Å; H285-V312 CarbonylContact C-O 2.91Å; H285-V312 WeakPolarHBondContact CA-O 3.49Å; L286-V312 PolarHBondContact N-O 3.04Å; F305-V312 WeakPolarHBondContact CE1-O 3.19Å; V312-Y314 HydrophobicContact CG1-CD1 3.66Å; V312-Y314 HydrophobicContact CG1-CD2 3.78Å; V312-Y314 HydrophobicContact CG1-CE1 3.49Å; V312-Y314 VanDerWaalsContact CG1-CE1 3.49Å; V312-Y314 HydrophobicContact CG1-CE2 3.65Å; V312-Y314 HydrophobicContact CG1-CG 3.8Å; V312-Y314 VanDerWaalsContact CG1-CZ 3.5Å; V312-V340 CarbonylContact C-O 3.53Å; V312-V340 WeakPolarHBondContact CA-O 3.09Å; V312-V340 HydrophobicContact CG2-CB 4.36Å |
| 313 | L | 94 | Very high | 84.1 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 80.7 | 174.6 | 174.4 | 53.7 | 0 | 0 | 0 | 107.1 | L286 L288 F301 F305 L315 W332 L333 I339 V340 I341 | L286-L313 HydrophobicContact CB-CD1 3.79Å; L286-L313 HydrophobicContact CD2-CD1 3.66Å; L286-L313 HydrophobicContact CG-CD1 3.59Å; L286-L313 CarbonylContact O-C 3.41Å; L286-L313 WeakPolarHBondContact O-CA 3.47Å; L288-L313 HydrophobicContact CD1-CD1 4.19Å; F301-L313 HydrophobicContact CD2-CD2 4.24Å; F301-L313 HydrophobicContact CE1-CD1 4.49Å; F301-L313 HydrophobicContact CE2-CD1 4.46Å; F301-L313 HydrophobicContact CE2-CD2 3.54Å; F301-L313 HydrophobicContact CZ-CD1 3.86Å; F301-L313 HydrophobicContact CZ-CD2 3.77Å; F301-L313 HydrophobicContact CZ-CG 4.49Å; F305-L313 HydrophobicContact CE2-CD2 4.47Å; F305-L313 HydrophobicContact CZ-CB 4.12Å; F305-L313 HydrophobicContact CZ-CD1 4.43Å; L313-L315 HydrophobicContact CD1-CD2 3.96Å; L313-L315 HydrophobicContact CD1-CG 4.47Å; L313-L315 HydrophobicContact CD2-CD1 4.47Å; L313-L315 HydrophobicContact CG-CD1 4.18Å; L313-L315 HydrophobicContact CG-CD2 4.01Å; L313-L315 HydrophobicContact CG-CG 4.07Å; L313-L315 WeakPolarHBondContact O-CG 3.13Å; L313-W332 HydrophobicContact CD2-CE3 4.49Å; L313-W332 HydrophobicContact CD2-CH2 4.29Å; L313-W332 HydrophobicContact CD2-CZ3 3.65Å; L313-L333 HydrophobicContact CD2-CD2 3.81Å; L313-I339 HydrophobicContact CB-CG2 3.63Å; L313-V340 CarbonylContact C-O 3.11Å; L313-V340 PolarHBondContact N-O 2.8Å; L313-I341 VanDerWaalsContact O-CA 3.22Å; L313-I341 WeakPolarHBondContact O-CA 3.42Å; L313-I341 VanDerWaalsContact O-CG2 3.25Å; L313-I341 WeakPolarHBondContact O-CG2 3.46Å |
| 314 | Y | 94.3 | Very high | 83.9 | Confident | 41 Ų | 41 | 35.7 Ų | 35.7 | 16% | 0.161 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 132.4 | -177.7 | -69.3 | -40.5 | 0 | 0 | 0 | 111.4 | H285 L286 D287 L288 V312 Y316 V340 I341 A343 | H285-Y314 AromaticContact CE1-CE2 3.72Å; L286-Y314 PolarHBondContact O-N 3.11Å; D287-Y314 HydrophobicContact CB-CD2 4.12Å; D287-Y314 WeakPolarHBondContact OD1-CB 3.35Å; D287-Y314 WeakPolarHBondContact OD2-CD2 3.49Å; L288-Y314 PolarHBondContact N-O 3.19Å; V312-Y314 HydrophobicContact CG1-CD1 3.66Å; V312-Y314 HydrophobicContact CG1-CD2 3.78Å; V312-Y314 HydrophobicContact CG1-CE1 3.49Å; V312-Y314 VanDerWaalsContact CG1-CE1 3.49Å; V312-Y314 HydrophobicContact CG1-CE2 3.65Å; V312-Y314 HydrophobicContact CG1-CG 3.8Å; V312-Y314 VanDerWaalsContact CG1-CZ 3.5Å; Y314-Y316 HydrophobicContact CD1-CE1 4.15Å; Y314-Y316 HydrophobicContact CD2-CE1 4.34Å; Y314-Y316 AromaticContact CG-CE1 3.84Å; Y314-Y316 HydrophobicContact CG-CE1 3.84Å; Y314-V340 HydrophobicContact CE1-CG1 4.14Å; Y314-I341 WeakPolarHBondContact CA-O 3.09Å; Y314-A343 HydrophobicContact CD1-CB 4.1Å; Y314-A343 HydrophobicContact CE1-CB 3.7Å; Y314-A343 HydrophobicContact CE2-CB 4.16Å |
| 315 | L | 93.3 | Very high | 83.7 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -135.6 | 11.7 | -171.8 | -58.9 | 167.1 | 0 | 0 | 0 | 113.1 | L288 L313 W320 L333 I341 T349 | L288-L315 HydrophobicContact CB-CD2 4.21Å; L288-L315 HydrophobicContact CD1-CD2 3.99Å; L313-L315 HydrophobicContact CD1-CD2 3.96Å; L313-L315 HydrophobicContact CD1-CG 4.47Å; L313-L315 HydrophobicContact CD2-CD1 4.47Å; L313-L315 HydrophobicContact CG-CD1 4.18Å; L313-L315 HydrophobicContact CG-CD2 4.01Å; L313-L315 HydrophobicContact CG-CG 4.07Å; L313-L315 WeakPolarHBondContact O-CG 3.13Å; L315-W320 HydrophobicContact CB-CZ2 4.11Å; L315-W320 HydrophobicContact CD2-CH2 4.07Å; L315-W320 HydrophobicContact CD2-CZ2 3.42Å; L315-W320 VanDerWaalsContact CD2-CZ2 3.42Å; L315-W320 HydrophobicContact CG-CZ2 4.29Å; L315-W320 PolarHBondContact O-NE1 2.81Å; L315-L333 HydrophobicContact CD1-CD1 3.93Å; L315-L333 HydrophobicContact CD1-CD2 4.34Å; L315-I341 HydrophobicContact CD1-CB 4.48Å; L315-I341 HydrophobicContact CD1-CG2 4.03Å; L315-I341 PolarHBondContact N-O 2.63Å; L315-T349 HydrophobicContact CB-CG2 3.45Å; L315-T349 VanDerWaalsContact CB-CG2 3.45Å; L315-T349 WeakPolarHBondContact CB-OG1 3.09Å; L315-T349 HydrophobicContact CD1-CG2 4.29Å | ||
| 316 | Y | 89.9 | Confident | 83.9 | Confident | 9 Ų | 9 | 41.6 Ų | 41.6 | 4% | 0.035 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -65.3 | 159.4 | -179.2 | 55.9 | -84.7 | 0 | 0 | 0 | 114.5 | K265 D287 S289 D290 Y314 N318 A343 N346 P347 P348 T349 | K265-Y316 WeakPolarHBondContact CE-OH 3.47Å; K265-Y316 PolarHBondContact NZ-OH 3.25Å; D287-Y316 PolarHBondContact OD2-OH 2.93Å; S289-Y316 CarbonylContact C-O 3.49Å; S289-Y316 WeakPolarHBondContact CA-O 3.39Å; S289-Y316 WeakPolarHBondContact CB-O 3.32Å; S289-Y316 WeakPolarHBondContact OG-CE2 3.31Å; S289-Y316 PolarHBondContact OG-OH 2.96Å; D290-Y316 PolarHBondContact N-O 3.07Å; Y314-Y316 HydrophobicContact CD1-CE1 4.15Å; Y314-Y316 HydrophobicContact CD2-CE1 4.34Å; Y314-Y316 AromaticContact CG-CE1 3.84Å; Y314-Y316 HydrophobicContact CG-CE1 3.84Å; Y316-N318 PolarHBondContact O-N 2.72Å; Y316-N318 PolarHBondContact O-ND2 3.03Å; Y316-N318 VanDerWaalsContact O-ND2 3.13Å; Y316-A343 HydrophobicContact CD1-CB 4.35Å; Y316-A343 HydrophobicContact CE1-CB 3.54Å; Y316-N346 HydrophobicContact CD2-CB 3.93Å; Y316-N346 HydrophobicContact CE2-CB 3.86Å; Y316-N346 WeakPolarHBondContact CE2-OD1 3.11Å; Y316-N346 HydrophobicContact CG-CB 4.33Å; Y316-P347 WeakPolarHBondContact CB-O 3.33Å; Y316-P348 WeakPolarHBondContact CB-O 3.16Å; Y316-T349 VanDerWaalsContact CA-CA 3.48Å |
| 317 | E | 90.7 | Very high | 84.4 | Confident | 79 Ų | 79 | 37 Ų | 37 | 37% | 0.369 | 21% | 0.21 | S | C | . | . | S | Bend | trans | 42.9 | 57.3 | -179.2 | -60 | -68.8 | -160.1 | 0 | 0 | 115 | D290 N291 P347 K352 | D290-E317 CarbonylContact C-O 3.13Å; D290-E317 WeakPolarHBondContact CA-O 3.3Å; D290-E317 HydrophobicContact CB-CB 4.47Å; D290-E317 PolarHBondContact N-O 3.39Å; D290-E317 VanDerWaalsContact N-O 3.16Å; N291-E317 PolarHBondContact N-O 2.82Å; E317-P347 HydrophobicContact CG-CG 3.83Å; E317-P347 WeakPolarHBondContact OE1-CG 3.35Å; E317-K352 IonicContact OE2-NZ 2.69Å |
| 318 | N | 91.3 | Very high | 85.5 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.011 | 19% | 0.193 | C | C | . | . | trans | -122.2 | 153.6 | 169.2 | -91.2 | -97.5 | 0 | 0 | 0 | 109.7 | L288 S289 N291 I293 Y316 W320 K352 | L288-N318 PolarHBondContact O-ND2 2.97Å; S289-N318 WeakPolarHBondContact CA-ND2 3.21Å; N291-N318 WeakPolarHBondContact CB-OD1 3.25Å; I293-N318 VanDerWaalsContact CB-OD1 3.28Å; I293-N318 WeakPolarHBondContact CB-OD1 3.04Å; I293-N318 WeakPolarHBondContact CG1-OD1 3.27Å; I293-N318 PolarHBondContact N-OD1 3.4Å; Y316-N318 PolarHBondContact O-N 2.72Å; Y316-N318 PolarHBondContact O-ND2 3.03Å; Y316-N318 VanDerWaalsContact O-ND2 3.13Å; N318-W320 HydrophobicContact CB-CD2 4.07Å; N318-W320 HydrophobicContact CB-CG 3.9Å; N318-W320 HydrophobicContact CB-CZ2 4.27Å; N318-W320 PolarHBondContact O-N 2.88Å; N318-K352 WeakPolarHBondContact O-CG 3.13Å | ||
| 319 | P | 92 | Very high | 86.9 | Confident | 43 Ų | 43 | 32.8 Ų | 32.8 | 28% | 0.279 | 18% | 0.175 | S | C | . | . | trans | -74.9 | 43 | 170.4 | 37.3 | -40.2 | 0 | 0 | 0 | 112.3 | N291 L292 I293 N321 K352 | N291-P319 WeakPolarHBondContact O-CD 3.4Å; L292-P319 VanDerWaalsContact CA-CG 3.4Å; L292-P319 HydrophobicContact CB-CG 4.28Å; L292-P319 HydrophobicContact CD2-CG 4.45Å; L292-P319 WeakPolarHBondContact O-CG 3.02Å; I293-P319 CarbonylContact O-C 3.41Å; I293-P319 VanDerWaalsContact O-C 3.24Å; P319-N321 PolarHBondContact O-N 3.42Å; P319-K352 HydrophobicContact CB-CB 4.09Å | ||
| 320 | W | 91.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | B | Isolated β-bridge | trans | -54.2 | 98.7 | -170.2 | -73.5 | 117.7 | 0 | 0 | 0 | 110.6 | I293 S294 L296 L315 N318 C322 L326 V350 C351 K352 S377 | I293-W320 HydrophobicContact CB-CE3 4.4Å; I293-W320 HydrophobicContact CB-CH2 3.81Å; I293-W320 HydrophobicContact CB-CZ2 4.4Å; I293-W320 HydrophobicContact CB-CZ3 3.82Å; I293-W320 HydrophobicContact CD1-CH2 3.95Å; I293-W320 HydrophobicContact CD1-CZ2 4.45Å; I293-W320 HydrophobicContact CG1-CH2 4.49Å; I293-W320 HydrophobicContact CG2-CE3 4.08Å; I293-W320 HydrophobicContact CG2-CH2 3.61Å; I293-W320 HydrophobicContact CG2-CZ3 3.28Å; I293-W320 WeakPolarHBondContact O-CA 3.44Å; I293-W320 PolarHBondContact O-N 3.11Å; S294-W320 CarbonylContact O-C 3.55Å; S294-W320 WeakPolarHBondContact O-CA 3.02Å; L296-W320 HydrophobicContact CD1-CH2 4.13Å; L296-W320 HydrophobicContact CD1-CZ3 4.26Å; L296-W320 HydrophobicContact CD2-CH2 3.99Å; L296-W320 HydrophobicContact CD2-CZ3 3.9Å; L296-W320 HydrophobicContact CG-CH2 3.95Å; L296-W320 HydrophobicContact CG-CZ3 3.66Å; L315-W320 HydrophobicContact CB-CZ2 4.11Å; L315-W320 HydrophobicContact CD2-CH2 4.07Å; L315-W320 HydrophobicContact CD2-CZ2 3.42Å; L315-W320 VanDerWaalsContact CD2-CZ2 3.42Å; L315-W320 HydrophobicContact CG-CZ2 4.29Å; L315-W320 PolarHBondContact O-NE1 2.81Å; N318-W320 HydrophobicContact CB-CD2 4.07Å; N318-W320 HydrophobicContact CB-CG 3.9Å; N318-W320 HydrophobicContact CB-CZ2 4.27Å; N318-W320 PolarHBondContact O-N 2.88Å; W320-C322 PolarHBondContact O-N 2.79Å; W320-L326 HydrophobicContact CE3-CD1 4.4Å; W320-L326 HydrophobicContact CE3-CD2 4.12Å; W320-L326 HydrophobicContact CZ3-CD1 4.43Å; W320-V350 VanDerWaalsContact CD1-O 3.24Å; W320-C351 HydrophobicContact CB-CB 4.39Å; W320-C351 CarbonylContact O-C 3.51Å; W320-C351 WeakPolarHBondContact O-CA 3.36Å; W320-C351 VanDerWaalsContact O-CB 3.22Å; W320-C351 WeakPolarHBondContact O-CB 3.38Å; W320-K352 PolarHBondContact O-N 2.89Å; W320-S377 WeakPolarHBondContact O-CB 2.94Å; W320-S377 PolarHBondContact O-OG 2.94Å |
| 321 | N | 88 | Confident | 88.4 | Confident | 34 Ų | 34 | 25.4 Ų | 25.4 | 18% | 0.182 | 13% | 0.127 | C | C | . | . | trans | -69.2 | 68.4 | 161.5 | -152.4 | 96.2 | 0 | 0 | 0 | 105.5 | S294 P319 D323 G353 E376 | S294-N321 CarbonylContact O-C 3.38Å; S294-N321 WeakPolarHBondContact O-CA 3.46Å; S294-N321 PolarHBondContact O-N 3.21Å; P319-N321 PolarHBondContact O-N 3.42Å; N321-D323 WeakPolarHBondContact ND2-CB 3.48Å; N321-D323 PolarHBondContact ND2-OD2 2.86Å; N321-D323 PolarHBondContact O-N 2.75Å; N321-D323 VanDerWaalsContact O-N 3.15Å; N321-G353 PolarHBondContact OD1-O 3.01Å; N321-E376 PolarHBondContact ND2-OE2 3.06Å | ||
| 322 | C | 86.5 | Confident | 88.5 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -59.2 | 120.6 | 162.7 | -40 | 0 | 0 | 0 | 0 | 104.5 | W320 L326 C351 L357 N542 | W320-C322 PolarHBondContact O-N 2.79Å; C322-L326 HydrophobicContact CB-CD2 3.6Å; C322-L326 VanDerWaalsContact SG-CD2 3.59Å; C322-C351 HydrophobicContact CB-CB 4.12Å; C322-C351 WeakPolarHBondContact CB-SG 3.15Å; C322-C351 WeakPolarHBondContact SG-CB 3.45Å; C322-C351 CovalentContact SG-SG 2.07Å; C322-C351 PolarHBondContact SG-SG 2.59Å; C322-L357 HydrophobicContact CB-CD1 3.51Å; C322-L357 HydrophobicContact CB-CD2 3.85Å; C322-L357 HydrophobicContact CB-CG 4.4Å; C322-L357 WeakPolarHBondContact O-CD1 2.75Å; C322-N542 PolarHBondContact O-ND2 3.08Å | ||
| 323 | D | 79.9 | Confident | 88.6 | Confident | 11 Ų | 11 | 24.2 Ų | 24.2 | 6% | 0.059 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -151.1 | -178.7 | -174 | 53.8 | 18.4 | 0 | 0 | 0 | 108.5 | T295 N321 M325 L326 D327 E376 N517 | T295-D323 PolarHBondContact OG1-OD1 3.37Å; N321-D323 WeakPolarHBondContact ND2-CB 3.48Å; N321-D323 PolarHBondContact ND2-OD2 2.86Å; N321-D323 PolarHBondContact O-N 2.75Å; N321-D323 VanDerWaalsContact O-N 3.15Å; D323-M325 PolarHBondContact O-N 3.39Å; D323-M325 VanDerWaalsContact OD1-CA 3.3Å; D323-M325 WeakPolarHBondContact OD1-CA 3.26Å; D323-M325 VanDerWaalsContact OD1-CB 3.28Å; D323-M325 WeakPolarHBondContact OD1-CB 3.29Å; D323-M325 PolarHBondContact OD1-N 2.9Å; D323-L326 CarbonylContact O-C 3.1Å; D323-L326 PolarHBondContact O-N 2.78Å; D323-L326 PolarHBondContact OD1-N 2.9Å; D323-D327 WeakPolarHBondContact O-CB 3Å; D323-D327 PolarHBondContact O-N 2.78Å; D323-D327 VanDerWaalsContact O-N 3.13Å; D323-E376 VanDerWaalsContact CA-OE1 3.28Å; D323-E376 WeakPolarHBondContact CA-OE1 3.12Å; D323-E376 VanDerWaalsContact CB-CD 3.45Å; D323-E376 WeakPolarHBondContact CB-OE1 3.02Å; D323-E376 WeakPolarHBondContact CB-OE2 3.5Å; D323-N517 VanDerWaalsContact C-ND2 3.26Å; D323-N517 VanDerWaalsContact CA-ND2 3.3Å; D323-N517 WeakPolarHBondContact CA-ND2 3.36Å; D323-N517 PolarHBondContact N-ND2 3.39Å; D323-N517 PolarHBondContact O-ND2 3.21Å |
| 324 | P | 79.3 | Confident | 88.1 | Confident | 41 Ų | 41 | 24.3 Ų | 24.3 | 27% | 0.266 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -52.6 | -21.6 | 169.4 | -33.2 | 40.6 | 0 | 0 | 0 | 114.6 | D327 E376 E502 Q518 | P324-D327 WeakPolarHBondContact O-CA 3.25Å; P324-D327 VanDerWaalsContact O-CB 3.31Å; P324-D327 WeakPolarHBondContact O-CB 3.19Å; P324-D327 PolarHBondContact O-N 2.76Å; P324-E376 WeakPolarHBondContact CD-OE1 3.13Å; P324-E502 HydrophobicContact CB-CG 4.15Å; P324-E502 HydrophobicContact CG-CB 4.32Å; P324-E502 HydrophobicContact CG-CG 3.8Å; P324-Q518 HydrophobicContact CG-CB 3.9Å |
| 325 | M | 81.6 | Confident | 87.6 | Confident | 124 Ų | 124 | 27 Ų | 27 | 61% | 0.611 | 14% | 0.138 | S | C | * | . | S | Bend | trans | -86.5 | -35.4 | -178.7 | -58.7 | 179.1 | 54.5 | 0 | 0 | 112.7 | D323 D327 W328 | D323-M325 PolarHBondContact O-N 3.39Å; D323-M325 VanDerWaalsContact OD1-CA 3.3Å; D323-M325 WeakPolarHBondContact OD1-CA 3.26Å; D323-M325 VanDerWaalsContact OD1-CB 3.28Å; D323-M325 WeakPolarHBondContact OD1-CB 3.29Å; D323-M325 PolarHBondContact OD1-N 2.9Å; M325-D327 PolarHBondContact O-N 3.25Å; M325-D327 VanDerWaalsContact O-N 3.15Å; M325-W328 PolarHBondContact O-NE1 2.69Å |
| 326 | L | 89 | Confident | 87.2 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -69.5 | -0.1 | 161.7 | -152.6 | 62.7 | 0 | 0 | 0 | 110 | T295 L296 W320 C322 D323 W328 L329 K504 | T295-L326 WeakPolarHBondContact OG1-CB 3.43Å; T295-L326 PolarHBondContact OG1-N 2.94Å; T295-L326 VanDerWaalsContact OG1-N 3.1Å; L296-L326 HydrophobicContact CB-CD1 3.8Å; L296-L326 HydrophobicContact CG-CD1 4.09Å; W320-L326 HydrophobicContact CE3-CD1 4.4Å; W320-L326 HydrophobicContact CE3-CD2 4.12Å; W320-L326 HydrophobicContact CZ3-CD1 4.43Å; C322-L326 HydrophobicContact CB-CD2 3.6Å; C322-L326 VanDerWaalsContact SG-CD2 3.59Å; D323-L326 CarbonylContact O-C 3.1Å; D323-L326 PolarHBondContact O-N 2.78Å; D323-L326 PolarHBondContact OD1-N 2.9Å; L326-W328 PolarHBondContact O-N 3.44Å; L326-L329 HydrophobicContact CD1-CB 3.84Å; L326-L329 HydrophobicContact CD1-CD2 3.55Å; L326-L329 HydrophobicContact CD1-CG 4.32Å; L326-L329 HydrophobicContact CD2-CD2 4.1Å; L326-L329 HydrophobicContact CG-CB 3.93Å; L326-L329 HydrophobicContact CG-CD2 3.95Å; L326-L329 PolarHBondContact O-N 2.76Å; L326-K504 PolarHBondContact O-NZ 3.39Å |
| 327 | D | 82.9 | Confident | 86.8 | Confident | 15 Ų | 15 | 32.3 Ų | 32.3 | 8% | 0.08 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 31.1 | -176.2 | -86.9 | 44.3 | 0 | 0 | 0 | 119.7 | D323 P324 M325 R330 K504 N517 | D323-D327 WeakPolarHBondContact O-CB 3Å; D323-D327 PolarHBondContact O-N 2.78Å; D323-D327 VanDerWaalsContact O-N 3.13Å; P324-D327 WeakPolarHBondContact O-CA 3.25Å; P324-D327 VanDerWaalsContact O-CB 3.31Å; P324-D327 WeakPolarHBondContact O-CB 3.19Å; P324-D327 PolarHBondContact O-N 2.76Å; M325-D327 PolarHBondContact O-N 3.25Å; M325-D327 VanDerWaalsContact O-N 3.15Å; D327-R330 IonicContact OD1-CZ 2.85Å; D327-R330 IonicContact OD1-NE 3.21Å; D327-R330 IonicContact OD1-NH1 3.74Å; D327-R330 PolarHBondContact OD1-NH1 3.38Å; D327-R330 IonicContact OD2-NH1 2.75Å; D327-R330 PolarHBondContact OD2-NH1 2.91Å; D327-K504 VanDerWaalsContact CA-NZ 3.31Å; D327-K504 HydrophobicContact CB-CD 4.4Å; D327-K504 HydrophobicContact CB-CG 4.27Å; D327-K504 WeakPolarHBondContact O-CE 3.31Å; D327-K504 WeakPolarHBondContact O-CG 3.47Å; D327-K504 WeakPolarHBondContact OD1-CE 3.21Å; D327-K504 IonicContact OD1-NZ 3.13Å; D327-K504 PolarHBondContact OD1-NZ 3.31Å; D327-K504 WeakPolarHBondContact OD2-CD 3.27Å; D327-K504 WeakPolarHBondContact OD2-CE 3.4Å; D327-K504 WeakPolarHBondContact OD2-CG 3.39Å; D327-K504 IonicContact OD2-NZ 2.7Å; D327-K504 PolarHBondContact OD2-NZ 2.77Å; D327-N517 VanDerWaalsContact CG-CB 3.42Å; D327-N517 WeakPolarHBondContact OD1-CB 3.43Å; D327-N517 PolarHBondContact OD1-ND2 3.34Å; D327-N517 WeakPolarHBondContact OD2-CB 3.19Å |
| 328 | W | 90.3 | Very high | 86.4 | Confident | 17 Ų | 17 | 32.9 Ų | 32.9 | 6% | 0.064 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.3 | -29.2 | 156.8 | 69.5 | -75.3 | 0 | 0 | 0 | 112.6 | L296 P297 R298 F301 M325 L326 R330 Q331 W332 K504 | L296-W328 HydrophobicContact CB-CZ2 3.7Å; L296-W328 HydrophobicContact CD1-CZ2 4.38Å; L296-W328 PolarHBondContact O-NE1 2.77Å; P297-W328 VanDerWaalsContact C-NE1 3.29Å; P297-W328 WeakPolarHBondContact O-CZ2 3.33Å; P297-W328 PolarHBondContact O-NE1 3.36Å; R298-W328 VanDerWaalsContact CA-CG 3.48Å; R298-W328 HydrophobicContact CB-CB 4.45Å; R298-W328 HydrophobicContact CB-CG 4.11Å; R298-W328 HydrophobicContact CG-CB 3.87Å; R298-W328 HydrophobicContact CG-CG 3.99Å; R298-W328 VanDerWaalsContact O-CD2 3.22Å; R298-W328 VanDerWaalsContact O-CE3 3.26Å; F301-W328 HydrophobicContact CB-CH2 4.36Å; F301-W328 HydrophobicContact CB-CZ3 4.25Å; F301-W328 AromaticContact CD2-CH2 3.51Å; F301-W328 HydrophobicContact CD2-CH2 3.51Å; F301-W328 AromaticContact CD2-CZ3 3.9Å; F301-W328 HydrophobicContact CD2-CZ3 3.9Å; F301-W328 HydrophobicContact CE2-CH2 4.08Å; F301-W328 HydrophobicContact CG-CH2 4.16Å; F301-W328 HydrophobicContact CG-CZ3 4.47Å; M325-W328 PolarHBondContact O-NE1 2.69Å; L326-W328 PolarHBondContact O-N 3.44Å; W328-R330 PolarHBondContact O-N 2.91Å; W328-Q331 CarbonylContact O-C 3.51Å; W328-Q331 WeakPolarHBondContact O-CA 3.1Å; W328-Q331 WeakPolarHBondContact O-CB 2.91Å; W328-Q331 PolarHBondContact O-N 3Å; W328-W332 HydrophobicContact CE3-CB 4.14Å; W328-W332 HydrophobicContact CZ3-CB 4.11Å; W328-W332 HydrophobicContact CZ3-CG 4.14Å; W328-W332 PolarHBondContact O-N 2.69Å; W328-K504 VanDerWaalsContact N-CE 3.27Å |
| 329 | L | 90.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -49 | -171.9 | 170.1 | 63.7 | 0 | 0 | 0 | 110.2 | L296 F301 L326 Q331 W332 L333 | L296-L329 HydrophobicContact CD1-CD1 4.31Å; L296-L329 HydrophobicContact CD1-CD2 3.91Å; L296-L329 HydrophobicContact CG-CD2 4.39Å; F301-L329 HydrophobicContact CD2-CD1 3.93Å; F301-L329 HydrophobicContact CE2-CD1 3.59Å; L326-L329 HydrophobicContact CD1-CB 3.84Å; L326-L329 HydrophobicContact CD1-CD2 3.55Å; L326-L329 HydrophobicContact CD1-CG 4.32Å; L326-L329 HydrophobicContact CD2-CD2 4.1Å; L326-L329 HydrophobicContact CG-CB 3.93Å; L326-L329 HydrophobicContact CG-CD2 3.95Å; L326-L329 PolarHBondContact O-N 2.76Å; L329-Q331 PolarHBondContact O-N 3.13Å; L329-W332 WeakPolarHBondContact O-CA 3.4Å; L329-W332 WeakPolarHBondContact O-CB 3.24Å; L329-W332 PolarHBondContact O-N 3.22Å; L329-L333 HydrophobicContact CD1-CD1 4.25Å; L329-L333 HydrophobicContact CD1-CD2 4.45Å; L329-L333 HydrophobicContact CD1-CG 4.08Å; L329-L333 HydrophobicContact CG-CD1 4.08Å; L329-L333 HydrophobicContact CG-CG 4.34Å; L329-L333 WeakPolarHBondContact O-CG 3.39Å; L329-L333 PolarHBondContact O-N 2.76Å |
| 330 | R | 88.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -15.6 | 170.9 | -39.7 | 122.5 | 76.5 | -104.1 | 7.6 | 112.1 | D327 W328 W332 R334 L357 I362 N366 K504 R506 H515 N517 E541 | D327-R330 IonicContact OD1-CZ 2.85Å; D327-R330 IonicContact OD1-NE 3.21Å; D327-R330 IonicContact OD1-NH1 3.74Å; D327-R330 PolarHBondContact OD1-NH1 3.38Å; D327-R330 IonicContact OD2-NH1 2.75Å; D327-R330 PolarHBondContact OD2-NH1 2.91Å; W328-R330 PolarHBondContact O-N 2.91Å; R330-W332 VanDerWaalsContact C-N 3.3Å; R330-R334 WeakPolarHBondContact O-CD 3.15Å; R330-R334 WeakPolarHBondContact O-CG 3.47Å; R330-R334 PolarHBondContact O-NH1 3.39Å; R330-L357 VanDerWaalsContact NH2-CD2 3.3Å; R330-I362 WeakPolarHBondContact CB-O 2.93Å; R330-I362 HydrophobicContact CG-CD1 4.36Å; R330-I362 HydrophobicContact CG-CG1 3.54Å; R330-N366 PolarHBondContact NH1-ND2 3.13Å; R330-N366 PolarHBondContact NH2-ND2 2.77Å; R330-N366 PolarHBondContact NH2-OD1 2.02Å; R330-K504 VanDerWaalsContact CA-NZ 3.31Å; R330-K504 HydrophobicContact CB-CD 3.97Å; R330-K504 VanDerWaalsContact CD-NZ 3.26Å; R330-R506 PolarHBondContact O-NH2 3.08Å; R330-H515 WeakPolarHBondContact CB-CE1 3.4Å; R330-H515 WeakPolarHBondContact CB-ND1 3.08Å; R330-H515 VanDerWaalsContact CZ-NE2 3.27Å; R330-H515 PolarHBondContact NE-CE1 2.63Å; R330-H515 VanDerWaalsContact NE-CE1 3.33Å; R330-H515 PolarHBondContact NH1-CE1 3.27Å; R330-H515 PolarHBondContact NH1-ND1 3.41Å; R330-H515 PolarHBondContact NH2-CD2 3.13Å; R330-H515 PolarHBondContact NH2-CE1 2.94Å; R330-H515 PolarHBondContact NH2-NE2 3.07Å; R330-N517 PolarHBondContact NH1-ND2 3.06Å; R330-E541 IonicContact CZ-OE2 3.66Å; R330-E541 VanDerWaalsContact CZ-OE2 3.3Å; R330-E541 IonicContact NE-OE2 3.64Å; R330-E541 PolarHBondContact NE-OE2 3.4Å; R330-E541 VanDerWaalsContact NH2-CD 3.34Å; R330-E541 VanDerWaalsContact NH2-CG 3.28Å; R330-E541 IonicContact NH2-OE2 2.68Å; R330-E541 PolarHBondContact NH2-OE2 3.3Å |
| 331 | Q | 85.5 | Confident | 85.6 | Confident | 67 Ų | 67 | 34.2 Ų | 34.2 | 31% | 0.313 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 9.7 | 166.9 | -152.4 | 174 | 19.1 | 0 | 0 | 112.6 | W328 L329 K504 C505 R506 | W328-Q331 CarbonylContact O-C 3.51Å; W328-Q331 WeakPolarHBondContact O-CA 3.1Å; W328-Q331 WeakPolarHBondContact O-CB 2.91Å; W328-Q331 PolarHBondContact O-N 3Å; L329-Q331 PolarHBondContact O-N 3.13Å; Q331-K504 HydrophobicContact CB-CB 3.63Å; Q331-K504 HydrophobicContact CB-CD 3.74Å; Q331-K504 HydrophobicContact CB-CG 3.67Å; Q331-K504 HydrophobicContact CG-CB 3.65Å; Q331-K504 HydrophobicContact CG-CG 4.21Å; Q331-K504 VanDerWaalsContact N-CD 3.28Å; Q331-C505 PolarHBondContact NE2-O 2.85Å; Q331-R506 VanDerWaalsContact C-CZ 3.43Å; Q331-R506 VanDerWaalsContact C-NH1 3.32Å; Q331-R506 VanDerWaalsContact O-CZ 3.25Å; Q331-R506 PolarHBondContact O-NH1 3.19Å; Q331-R506 PolarHBondContact O-NH2 2.9Å |
| 332 | W | 90.2 | Very high | 85.3 | Confident | 26 Ų | 26 | 34.7 Ų | 34.7 | 10% | 0.098 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | -44.9 | 173 | -173 | 100.3 | 0 | 0 | 0 | 110 | F301 F305 L313 W328 L329 R330 R334 D335 R336 I339 | F301-W332 HydrophobicContact CB-CD2 4.33Å; F301-W332 HydrophobicContact CB-CH2 4.31Å; F301-W332 HydrophobicContact CB-CZ2 3.67Å; F301-W332 HydrophobicContact CD2-CD2 4.22Å; F301-W332 HydrophobicContact CD2-CE3 4.07Å; F301-W332 HydrophobicContact CD2-CH2 4.2Å; F301-W332 HydrophobicContact CD2-CZ2 4.32Å; F301-W332 HydrophobicContact CD2-CZ3 4.07Å; F301-W332 HydrophobicContact CG-CH2 4.29Å; F301-W332 HydrophobicContact CG-CZ2 4.14Å; F305-W332 HydrophobicContact CB-CH2 4.06Å; F305-W332 HydrophobicContact CB-CZ2 4.04Å; F305-W332 AromaticContact CD2-CH2 3.27Å; F305-W332 HydrophobicContact CD2-CH2 3.27Å; F305-W332 AromaticContact CD2-CZ2 3.62Å; F305-W332 HydrophobicContact CD2-CZ2 3.62Å; F305-W332 HydrophobicContact CD2-CZ3 4.46Å; F305-W332 AromaticContact CE2-CH2 3.79Å; F305-W332 HydrophobicContact CE2-CH2 3.79Å; F305-W332 HydrophobicContact CE2-CZ2 4.44Å; F305-W332 AromaticContact CG-CH2 3.81Å; F305-W332 HydrophobicContact CG-CH2 3.81Å; F305-W332 HydrophobicContact CG-CZ2 4.17Å; L313-W332 HydrophobicContact CD2-CE3 4.49Å; L313-W332 HydrophobicContact CD2-CH2 4.29Å; L313-W332 HydrophobicContact CD2-CZ3 3.65Å; W328-W332 HydrophobicContact CE3-CB 4.14Å; W328-W332 HydrophobicContact CZ3-CB 4.11Å; W328-W332 HydrophobicContact CZ3-CG 4.14Å; W328-W332 PolarHBondContact O-N 2.69Å; L329-W332 WeakPolarHBondContact O-CA 3.4Å; L329-W332 WeakPolarHBondContact O-CB 3.24Å; L329-W332 PolarHBondContact O-N 3.22Å; R330-W332 VanDerWaalsContact C-N 3.3Å; W332-R334 PolarHBondContact O-N 3.48Å; W332-D335 PolarHBondContact O-N 3.45Å; W332-R336 PolarHBondContact O-N 3.2Å; W332-I339 HydrophobicContact CE3-CD1 4.32Å; W332-I339 HydrophobicContact CH2-CD1 3.28Å; W332-I339 HydrophobicContact CZ2-CD1 4.27Å; W332-I339 HydrophobicContact CZ3-CD1 3.33Å |
| 333 | L | 90.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -23.1 | -177.2 | -67.4 | 175.3 | 0 | 0 | 0 | 117.8 | L313 L315 L329 I341 I362 R363 | L313-L333 HydrophobicContact CD2-CD2 3.81Å; L315-L333 HydrophobicContact CD1-CD1 3.93Å; L315-L333 HydrophobicContact CD1-CD2 4.34Å; L329-L333 HydrophobicContact CD1-CD1 4.25Å; L329-L333 HydrophobicContact CD1-CD2 4.45Å; L329-L333 HydrophobicContact CD1-CG 4.08Å; L329-L333 HydrophobicContact CG-CD1 4.08Å; L329-L333 HydrophobicContact CG-CG 4.34Å; L329-L333 WeakPolarHBondContact O-CG 3.39Å; L329-L333 PolarHBondContact O-N 2.76Å; L333-I341 HydrophobicContact CD2-CG2 3.78Å; L333-I362 HydrophobicContact CD1-CD1 4.38Å; L333-I362 HydrophobicContact CD1-CG1 4.41Å; L333-I362 HydrophobicContact CD1-CG2 4.37Å; L333-R363 HydrophobicContact CB-CG 4.06Å; L333-R363 WeakPolarHBondContact O-CD 3.2Å; L333-R363 VanDerWaalsContact O-CG 3.29Å; L333-R363 WeakPolarHBondContact O-CG 3.44Å |
| 334 | R | 85.1 | Confident | 83.7 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -15.7 | -175.2 | -3.4 | 166.5 | -59 | -110.2 | 18.3 | 113.9 | R330 W332 R337 R363 T364 I365 K504 R506 Y508 S513 V514 H515 | R330-R334 WeakPolarHBondContact O-CD 3.15Å; R330-R334 WeakPolarHBondContact O-CG 3.47Å; R330-R334 PolarHBondContact O-NH1 3.39Å; W332-R334 PolarHBondContact O-N 3.48Å; R334-R337 WeakPolarHBondContact O-CG 3.08Å; R334-R363 HydrophobicContact CB-CG 3.98Å; R334-R363 WeakPolarHBondContact CB-O 3.23Å; R334-R363 WeakPolarHBondContact CD-O 3.31Å; R334-R363 HydrophobicContact CG-CG 3.93Å; R334-R363 WeakPolarHBondContact CG-O 3.48Å; R334-T364 WeakPolarHBondContact CD-O 3.5Å; R334-I365 VanDerWaalsContact NE-CG1 3.27Å; R334-K504 PolarHBondContact NH2-O 3.29Å; R334-R506 VanDerWaalsContact CB-NE 3.25Å; R334-Y508 PolarHBondContact O-OH 3.42Å; R334-S513 PolarHBondContact NH2-O 3.28Å; R334-S513 PolarHBondContact NH2-OG 3.27Å; R334-V514 PolarHBondContact NH2-O 3.19Å; R334-V514 VanDerWaalsContact NH2-O 3.1Å; R334-H515 PolarHBondContact NH1-ND1 2.82Å |
| 335 | D | 83.2 | Confident | 82.6 | Confident | 97 Ų | 97 | 42 Ų | 42 | 52% | 0.519 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -47.5 | 159.9 | -74.2 | -14.4 | 0 | 0 | 0 | 107.7 | W332 R337 R506 | W332-D335 PolarHBondContact O-N 3.45Å; D335-R337 PolarHBondContact O-N 2.9Å; D335-R506 VanDerWaalsContact OD1-CD 3.25Å; D335-R506 WeakPolarHBondContact OD1-CD 3.33Å; D335-R506 IonicContact OD1-CZ 4Å; D335-R506 IonicContact OD1-NE 2.79Å; D335-R506 IonicContact OD1-NH1 3.04Å; D335-R506 PolarHBondContact OD1-NH1 2.98Å; D335-R506 IonicContact OD2-CZ 3.27Å; D335-R506 IonicContact OD2-NH1 3.87Å; D335-R506 PolarHBondContact OD2-NH1 3.18Å |
| 336 | R | 85.5 | Confident | 82.3 | Confident | 72 Ų | 72 | 39.2 Ų | 39.2 | 27% | 0.272 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -82.7 | 54.3 | 179.8 | -57.9 | 177.7 | -175.5 | -114.3 | 3.4 | 111.6 | T304 F305 W332 E338 I339 | T304-R336 PolarHBondContact O-NH1 3.32Å; F305-R336 PolarHBondContact O-NH1 3.4Å; W332-R336 PolarHBondContact O-N 3.2Å; R336-E338 WeakPolarHBondContact CA-OE2 3.36Å; R336-E338 PolarHBondContact O-N 2.66Å; R336-I339 HydrophobicContact CB-CD1 3.56Å; R336-I339 HydrophobicContact CB-CG1 3.91Å; R336-I339 HydrophobicContact CG-CD1 4.35Å; R336-I339 WeakPolarHBondContact O-CB 3.23Å; R336-I339 PolarHBondContact O-N 2.73Å; R336-I339 VanDerWaalsContact O-N 3.09Å |
| 337 | R | 80.5 | Confident | 81.5 | Confident | 49 Ų | 49 | 41.1 Ų | 41.1 | 19% | 0.185 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -20.8 | -178 | -64.7 | -163.1 | -178.9 | -142.2 | 0.5 | 112.8 | R334 D335 I339 R363 E385 Y508 | R334-R337 WeakPolarHBondContact O-CG 3.08Å; D335-R337 PolarHBondContact O-N 2.9Å; R337-I339 VanDerWaalsContact C-N 3.32Å; R337-R363 PolarHBondContact O-NH1 2.57Å; R337-E385 IonicContact CZ-OE2 3.1Å; R337-E385 PolarHBondContact NH1-O 2.79Å; R337-E385 IonicContact NH1-OE2 2.69Å; R337-E385 PolarHBondContact NH1-OE2 2.69Å; R337-E385 IonicContact NH2-OE2 2.67Å; R337-E385 PolarHBondContact NH2-OE2 3.48Å; R337-Y508 PolarHBondContact NE-OH 2.7Å; R337-Y508 PolarHBondContact NH2-OH 3.37Å |
| 338 | E | 81.7 | Confident | 81.5 | Confident | 91 Ų | 91 | 41.1 Ų | 41.1 | 43% | 0.425 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -13 | 178.6 | 80.4 | -66.1 | 164.3 | 0 | 0 | 114.8 | R311 R336 | R311-E338 WeakPolarHBondContact CD-OE1 3.39Å; R311-E338 IonicContact CZ-OE1 3.32Å; R311-E338 IonicContact NE-OE1 2.73Å; R311-E338 IonicContact NH1-OE1 3.34Å; R311-E338 PolarHBondContact NH1-OE1 2.86Å; R336-E338 WeakPolarHBondContact CA-OE2 3.36Å; R336-E338 PolarHBondContact O-N 2.66Å |
| 339 | I | 85.3 | Confident | 81.3 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 146.9 | 169.4 | -58.9 | -179.6 | 0 | 0 | 0 | 108.5 | F305 R311 L313 W332 R336 R337 R363 | F305-I339 HydrophobicContact CG-CD1 4.43Å; R311-I339 HydrophobicContact CB-CB 4.33Å; R311-I339 HydrophobicContact CB-CG1 3.79Å; R311-I339 CarbonylContact O-C 3.59Å; R311-I339 WeakPolarHBondContact O-CA 3.22Å; L313-I339 HydrophobicContact CB-CG2 3.63Å; W332-I339 HydrophobicContact CE3-CD1 4.32Å; W332-I339 HydrophobicContact CH2-CD1 3.28Å; W332-I339 HydrophobicContact CZ2-CD1 4.27Å; W332-I339 HydrophobicContact CZ3-CD1 3.33Å; R336-I339 HydrophobicContact CB-CD1 3.56Å; R336-I339 HydrophobicContact CB-CG1 3.91Å; R336-I339 HydrophobicContact CG-CD1 4.35Å; R336-I339 WeakPolarHBondContact O-CB 3.23Å; R336-I339 PolarHBondContact O-N 2.73Å; R336-I339 VanDerWaalsContact O-N 3.09Å; R337-I339 VanDerWaalsContact C-N 3.32Å; I339-R363 PolarHBondContact O-NH1 3.07Å; I339-R363 PolarHBondContact O-NH2 3.25Å |
| 340 | V | 86.8 | Confident | 81.2 | Confident | 68 Ų | 68 | 40.7 Ų | 40.7 | 41% | 0.412 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 132.1 | 169.7 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | R311 V312 L313 Y314 D342 | R311-V340 PolarHBondContact O-N 2.6Å; V312-V340 CarbonylContact C-O 3.53Å; V312-V340 WeakPolarHBondContact CA-O 3.09Å; V312-V340 HydrophobicContact CG2-CB 4.36Å; L313-V340 CarbonylContact C-O 3.11Å; L313-V340 PolarHBondContact N-O 2.8Å; Y314-V340 HydrophobicContact CE1-CG1 4.14Å; V340-D342 WeakPolarHBondContact CG1-O 3.48Å |
| 341 | I | 87.2 | Confident | 81.2 | Confident | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | trans | -112.2 | -13 | -178.9 | 58 | 167.6 | 0 | 0 | 0 | 115.4 | L313 Y314 L315 L333 T349 I362 R363 | L313-I341 VanDerWaalsContact O-CA 3.22Å; L313-I341 WeakPolarHBondContact O-CA 3.42Å; L313-I341 VanDerWaalsContact O-CG2 3.25Å; L313-I341 WeakPolarHBondContact O-CG2 3.46Å; Y314-I341 WeakPolarHBondContact CA-O 3.09Å; L315-I341 HydrophobicContact CD1-CB 4.48Å; L315-I341 HydrophobicContact CD1-CG2 4.03Å; L315-I341 PolarHBondContact N-O 2.63Å; L333-I341 HydrophobicContact CD2-CG2 3.78Å; I341-T349 PolarHBondContact O-OG1 3.25Å; I341-T349 VanDerWaalsContact O-OG1 3.13Å; I341-I362 HydrophobicContact CD1-CG2 3.41Å; I341-I362 VanDerWaalsContact CD1-CG2 3.41Å; I341-R363 HydrophobicContact CD1-CB 3.97Å | ||
| 342 | D | 81 | Confident | 81.2 | Confident | 44 Ų | 44 | 42 Ų | 42 | 24% | 0.235 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -125 | 128.7 | -173.5 | -52.8 | -41.1 | 0 | 0 | 0 | 108.6 | V340 P348 T349 | V340-D342 WeakPolarHBondContact CG1-O 3.48Å; D342-P348 HydrophobicContact CB-CB 4.05Å; D342-P348 VanDerWaalsContact OD1-CA 3.22Å; D342-P348 WeakPolarHBondContact OD1-CA 3.41Å; D342-P348 VanDerWaalsContact OD1-CB 3.23Å; D342-P348 WeakPolarHBondContact OD1-CB 3.22Å; D342-T349 WeakPolarHBondContact OD1-CB 3.2Å; D342-T349 PolarHBondContact OD1-N 2.97Å; D342-T349 PolarHBondContact OD1-OG1 3.4Å |
| 343 | A | 74.4 | Confident | 80.4 | Confident | 11 Ų | 11 | 41.7 Ų | 41.7 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | trans | -83.8 | 141 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y314 Y316 G345 N346 | Y314-A343 HydrophobicContact CD1-CB 4.1Å; Y314-A343 HydrophobicContact CE1-CB 3.7Å; Y314-A343 HydrophobicContact CE2-CB 4.16Å; Y316-A343 HydrophobicContact CD1-CB 4.35Å; Y316-A343 HydrophobicContact CE1-CB 3.54Å; A343-G345 PolarHBondContact O-N 3.14Å; A343-N346 HydrophobicContact CB-CB 4.24Å; A343-N346 WeakPolarHBondContact O-CB 3.06Å; A343-N346 PolarHBondContact O-N 3.37Å; A343-N346 VanDerWaalsContact O-N 3.16Å | ||
| 344 | P | 57.8 | Low | 79.3 | Confident | 116 Ų | 116 | 46.5 Ų | 46.5 | 75% | 0.753 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | 140.9 | 173.6 | -27.4 | 35.5 | 0 | 0 | 0 | 112.3 | N346 | P344-N346 PolarHBondContact O-N 2.68Å; P344-N346 PolarHBondContact O-ND2 3.19Å |
| 345 | G | 58.1 | Low | 78.3 | Confident | 78 Ų | 78 | 47.1 Ų | 47.1 | 80% | 0.804 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | -19.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | A343 | A343-G345 PolarHBondContact O-N 3.14Š|
| 346 | N | 74.2 | Confident | 77.6 | Confident | 66 Ų | 66 | 42.7 Ų | 42.7 | 35% | 0.353 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -83.7 | 160.9 | 179.4 | -67.3 | -101.9 | 0 | 0 | 0 | 110.4 | Y316 A343 P344 | Y316-N346 HydrophobicContact CD2-CB 3.93Å; Y316-N346 HydrophobicContact CE2-CB 3.86Å; Y316-N346 WeakPolarHBondContact CE2-OD1 3.11Å; Y316-N346 HydrophobicContact CG-CB 4.33Å; A343-N346 HydrophobicContact CB-CB 4.24Å; A343-N346 WeakPolarHBondContact O-CB 3.06Å; A343-N346 PolarHBondContact O-N 3.37Å; A343-N346 VanDerWaalsContact O-N 3.16Å; P344-N346 PolarHBondContact O-N 2.68Å; P344-N346 PolarHBondContact O-ND2 3.19Å |
| 347 | P | 72.8 | Confident | 76.8 | Confident | 40 Ų | 40 | 39.3 Ų | 39.3 | 26% | 0.26 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -58.5 | 150.9 | 156.3 | 28.5 | -33.5 | 0 | 0 | 0 | 109 | Y316 E317 | Y316-P347 WeakPolarHBondContact CB-O 3.33Å; E317-P347 HydrophobicContact CG-CG 3.83Å; E317-P347 WeakPolarHBondContact OE1-CG 3.35Å |
| 348 | P | 81.7 | Confident | 76.7 | Confident | 15 Ų | 15 | 40.7 Ų | 40.7 | 10% | 0.097 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -65 | 170.5 | 170.6 | 31.2 | -35.8 | 0 | 0 | 0 | 111 | Y316 D342 L380 K381 | Y316-P348 WeakPolarHBondContact CB-O 3.16Å; D342-P348 HydrophobicContact CB-CB 4.05Å; D342-P348 VanDerWaalsContact OD1-CA 3.22Å; D342-P348 WeakPolarHBondContact OD1-CA 3.41Å; D342-P348 VanDerWaalsContact OD1-CB 3.23Å; D342-P348 WeakPolarHBondContact OD1-CB 3.22Å; P348-L380 HydrophobicContact CG-CB 4.41Å; P348-K381 HydrophobicContact CG-CG 3.69Å |
| 349 | T | 87.5 | Confident | 76.5 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -29.3 | 139 | 151.5 | -50.7 | 0 | 0 | 0 | 0 | 110 | L315 Y316 I341 D342 I362 L380 | L315-T349 HydrophobicContact CB-CG2 3.45Å; L315-T349 VanDerWaalsContact CB-CG2 3.45Å; L315-T349 WeakPolarHBondContact CB-OG1 3.09Å; L315-T349 HydrophobicContact CD1-CG2 4.29Å; Y316-T349 VanDerWaalsContact CA-CA 3.48Å; I341-T349 PolarHBondContact O-OG1 3.25Å; I341-T349 VanDerWaalsContact O-OG1 3.13Å; D342-T349 WeakPolarHBondContact OD1-CB 3.2Å; D342-T349 PolarHBondContact OD1-N 2.97Å; D342-T349 PolarHBondContact OD1-OG1 3.4Å; T349-I362 HydrophobicContact CG2-CB 4.24Å; T349-I362 HydrophobicContact CG2-CD1 3.64Å; T349-I362 HydrophobicContact CG2-CG2 3.74Å; T349-L380 HydrophobicContact CG2-CD2 4.01Å; T349-L380 WeakPolarHBondContact O-CB 3.3Å; T349-L380 WeakPolarHBondContact O-CD2 3.32Å; T349-L380 WeakPolarHBondContact O-CG 3.09Å |
| 350 | V | 88.1 | Confident | 76.1 | Confident | 7 Ų | 7 | 36.2 Ų | 36.2 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | trans | -143.4 | 128.1 | 179.5 | -76.1 | 0 | 0 | 0 | 0 | 111 | W320 K352 L380 | W320-V350 VanDerWaalsContact CD1-O 3.24Å; V350-K352 HydrophobicContact CG2-CD 4.45Å; V350-K352 VanDerWaalsContact CG2-CE 3.43Å; V350-K352 HydrophobicContact CG2-CG 4.39Å; V350-L380 VanDerWaalsContact C-CD1 3.49Å; V350-L380 HydrophobicContact CB-CB 4.39Å; V350-L380 HydrophobicContact CG1-CB 3.91Å | ||
| 351 | C | 87.9 | Confident | 76 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -67.5 | 165.4 | 161.1 | -46.9 | 0 | 0 | 0 | 0 | 108.5 | W320 C322 L357 G378 A379 L380 | W320-C351 HydrophobicContact CB-CB 4.39Å; W320-C351 CarbonylContact O-C 3.51Å; W320-C351 WeakPolarHBondContact O-CA 3.36Å; W320-C351 VanDerWaalsContact O-CB 3.22Å; W320-C351 WeakPolarHBondContact O-CB 3.38Å; C322-C351 HydrophobicContact CB-CB 4.12Å; C322-C351 WeakPolarHBondContact CB-SG 3.15Å; C322-C351 WeakPolarHBondContact SG-CB 3.45Å; C322-C351 CovalentContact SG-SG 2.07Å; C322-C351 PolarHBondContact SG-SG 2.59Å; C351-L357 HydrophobicContact CB-CB 4.13Å; C351-L357 HydrophobicContact CB-CD1 4.29Å; C351-G378 VanDerWaalsContact C-N 3.34Å; C351-G378 CarbonylContact C-O 3.56Å; C351-G378 VanDerWaalsContact CA-O 3.24Å; C351-G378 WeakPolarHBondContact CA-O 3.49Å; C351-G378 VanDerWaalsContact CB-O 3.23Å; C351-G378 WeakPolarHBondContact CB-O 3.15Å; C351-G378 PolarHBondContact N-O 3.1Å; C351-G378 CarbonylContact O-C 3.58Å; C351-G378 WeakPolarHBondContact O-CA 3.38Å; C351-A379 PolarHBondContact O-N 3.07Å; C351-L380 HydrophobicContact CB-CD1 4.31Å |
| 352 | K | 85.9 | Confident | 76 | Confident | 96 Ų | 96 | 32.9 Ų | 32.9 | 42% | 0.417 | 21% | 0.214 | S | C | . | . | trans | -148.8 | -35.1 | -170.1 | -83.5 | -65.3 | -177.5 | 144.2 | 0 | 121.2 | E317 N318 P319 W320 V350 S377 G378 | E317-K352 IonicContact OE2-NZ 2.69Å; N318-K352 WeakPolarHBondContact O-CG 3.13Å; P319-K352 HydrophobicContact CB-CB 4.09Å; W320-K352 PolarHBondContact O-N 2.89Å; V350-K352 HydrophobicContact CG2-CD 4.45Å; V350-K352 VanDerWaalsContact CG2-CE 3.43Å; V350-K352 HydrophobicContact CG2-CG 4.39Å; K352-S377 VanDerWaalsContact C-C 3.44Å; K352-S377 CarbonylContact C-O 3.32Å; K352-S377 PolarHBondContact N-OG 3.17Å; K352-G378 VanDerWaalsContact CA-CA 3.44Å; K352-G378 VanDerWaalsContact N-CA 3.26Å; K352-G378 VanDerWaalsContact N-N 3.14Å | ||
| 353 | G | 73.8 | Confident | 76 | Confident | 19 Ų | 19 | 32.1 Ų | 32.1 | 20% | 0.196 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -161.5 | 169.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | N321 E376 S377 | N321-G353 PolarHBondContact OD1-O 3.01Å; G353-E376 VanDerWaalsContact C-C 3.44Å; G353-E376 CarbonylContact O-C 3.35Å; G353-S377 VanDerWaalsContact C-OG 3.31Å; G353-S377 WeakPolarHBondContact CA-O 3.41Å; G353-S377 WeakPolarHBondContact CA-OG 3.49Å; G353-S377 PolarHBondContact N-O 2.98Å; G353-S377 PolarHBondContact N-OG 3.12Å; G353-S377 WeakPolarHBondContact O-CB 3.46Å; G353-S377 PolarHBondContact O-N 3.47Å; G353-S377 VanDerWaalsContact O-N 3.12Å; G353-S377 PolarHBondContact O-OG 2.99Å |
| 354 | P | 66.5 | Low | 75.8 | Confident | 100 Ų | 100 | 31.6 Ų | 31.6 | 65% | 0.649 | 20% | 0.204 | S | C | * | . | S | Bend | cis | -90.1 | 26.2 | -7.4 | 32.4 | -38.5 | 0 | 0 | 0 | 116.5 | E376 | P354-E376 HydrophobicContact CG-CB 4.07Š|
| 355 | G | 64.9 | Low | 75.8 | Confident | 14 Ų | 14 | 26.1 Ų | 26.1 | 14% | 0.144 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 170.3 | -123.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | L357 L358 E376 S377 | G355-L357 CarbonylContact O-C 3.32Å; G355-L357 PolarHBondContact O-N 2.91Å; G355-L358 WeakPolarHBondContact O-CA 3.2Å; G355-L358 VanDerWaalsContact O-CB 3.28Å; G355-L358 WeakPolarHBondContact O-CB 2.95Å; G355-L358 PolarHBondContact O-N 2.92Å; G355-E376 VanDerWaalsContact N-N 3.2Å; G355-S377 PolarHBondContact N-O 2.94Å; G355-S377 CarbonylContact O-C 3.58Å; G355-S377 WeakPolarHBondContact O-CA 3.19Å; G355-S377 PolarHBondContact O-N 3.3Å |
| 356 | P | 67.4 | Low | 75.3 | Confident | 5 Ų | 5 | 22.4 Ų | 22.4 | 3% | 0.032 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -77.7 | 5.3 | -140.8 | -1.7 | 12.7 | 0 | 0 | 0 | 119.2 | L358 P375 N542 N544 G565 N566 | P356-L358 PolarHBondContact O-N 3.26Å; P356-P375 VanDerWaalsContact CD-O 3.31Å; P356-P375 WeakPolarHBondContact CD-O 3.43Å; P356-N542 WeakPolarHBondContact CD-OD1 3.49Å; P356-N542 WeakPolarHBondContact CG-O 3.43Å; P356-N542 PolarHBondContact O-N 3.1Å; P356-N544 HydrophobicContact CB-CB 4.33Å; P356-N544 VanDerWaalsContact CB-N 3.32Å; P356-N544 VanDerWaalsContact CG-CA 3.45Å; P356-N544 HydrophobicContact CG-CB 3.47Å; P356-N544 VanDerWaalsContact CG-CB 3.47Å; P356-G565 CarbonylContact C-O 3.4Å; P356-G565 VanDerWaalsContact C-O 3.22Å; P356-G565 VanDerWaalsContact CA-O 3.24Å; P356-G565 WeakPolarHBondContact CA-O 3.26Å; P356-G565 CarbonylContact O-C 3.54Å; P356-N566 HydrophobicContact CB-CB 4.43Å; P356-N566 WeakPolarHBondContact O-CA 3.09Å; P356-N566 PolarHBondContact O-N 3.27Å; P356-N566 PolarHBondContact O-OD1 3.44Å |
| 357 | L | 69.7 | Low | 73.5 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -77.6 | 37.6 | 149.3 | -49.6 | 121.2 | 0 | 0 | 0 | 107.7 | C322 R330 C351 G355 G359 W360 S377 G378 N517 E541 N542 | C322-L357 HydrophobicContact CB-CD1 3.51Å; C322-L357 HydrophobicContact CB-CD2 3.85Å; C322-L357 HydrophobicContact CB-CG 4.4Å; C322-L357 WeakPolarHBondContact O-CD1 2.75Å; R330-L357 VanDerWaalsContact NH2-CD2 3.3Å; C351-L357 HydrophobicContact CB-CB 4.13Å; C351-L357 HydrophobicContact CB-CD1 4.29Å; G355-L357 CarbonylContact O-C 3.32Å; G355-L357 PolarHBondContact O-N 2.91Å; L357-G359 PolarHBondContact O-N 2.77Å; L357-W360 HydrophobicContact CB-CB 3.89Å; L357-W360 HydrophobicContact CB-CG 4.19Å; L357-W360 VanDerWaalsContact O-CB 3.23Å; L357-W360 WeakPolarHBondContact O-CB 3.27Å; L357-S377 CarbonylContact O-C 3.53Å; L357-G378 CarbonylContact O-C 3.23Å; L357-G378 WeakPolarHBondContact O-CA 3.01Å; L357-G378 PolarHBondContact O-N 2.94Å; L357-N517 WeakPolarHBondContact CD1-OD1 2.99Å; L357-N517 VanDerWaalsContact CD2-OD1 3.22Å; L357-N517 WeakPolarHBondContact CD2-OD1 3.2Å; L357-E541 HydrophobicContact CB-CB 3.57Å; L357-E541 HydrophobicContact CD2-CB 3.07Å; L357-E541 HydrophobicContact CD2-CG 3.16Å; L357-E541 WeakPolarHBondContact CD2-OE2 2.82Å; L357-E541 VanDerWaalsContact CG-C 3.44Å; L357-E541 HydrophobicContact CG-CB 3.4Å; L357-E541 HydrophobicContact CG-CG 4.1Å; L357-N542 HydrophobicContact CD1-CB 3.91Å; L357-N542 WeakPolarHBondContact CD1-ND2 3.02Å; L357-N542 WeakPolarHBondContact CD1-OD1 3.41Å; L357-N542 HydrophobicContact CG-CB 3.75Å; L357-N542 VanDerWaalsContact CG-CG 3.41Å; L357-N542 WeakPolarHBondContact CG-OD1 3.45Å; L357-N542 PolarHBondContact N-OD1 2.99Å |
| 358 | L | 78.6 | Confident | 71.7 | Confident | 78 Ų | 78 | 17.4 Ų | 17.4 | 41% | 0.408 | 10% | 0.101 | S | C | . | . | B | Isolated β-bridge | trans | -69.5 | 12.4 | -164.2 | -151.4 | 77 | 0 | 0 | 0 | 116 | G355 P356 S377 A379 G565 N590 | G355-L358 WeakPolarHBondContact O-CA 3.2Å; G355-L358 VanDerWaalsContact O-CB 3.28Å; G355-L358 WeakPolarHBondContact O-CB 2.95Å; G355-L358 PolarHBondContact O-N 2.92Å; P356-L358 PolarHBondContact O-N 3.26Å; L358-S377 WeakPolarHBondContact CD1-O 3.47Å; L358-A379 PolarHBondContact O-N 3.03Å; L358-G565 WeakPolarHBondContact CA-O 3.42Å; L358-G565 WeakPolarHBondContact CB-O 3.35Å; L358-G565 PolarHBondContact N-O 3.03Å; L358-N590 VanDerWaalsContact O-CB 3.27Å; L358-N590 WeakPolarHBondContact O-CB 3.29Å |
| 359 | G | 75.9 | Confident | 69.5 | Low | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -159.8 | 23.9 | -166.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | L357 P361 G378 A379 A589 N590 | L357-G359 PolarHBondContact O-N 2.77Å; G359-P361 VanDerWaalsContact O-CD 3.27Å; G359-P361 WeakPolarHBondContact O-CD 3.19Å; G359-G378 VanDerWaalsContact N-C 3.32Å; G359-A379 CarbonylContact C-O 3.57Å; G359-A379 VanDerWaalsContact CA-C 3.48Å; G359-A379 WeakPolarHBondContact CA-O 3.21Å; G359-A589 WeakPolarHBondContact CA-O 2.85Å; G359-N590 WeakPolarHBondContact CA-ND2 2.81Å; G359-N590 PolarHBondContact O-ND2 3.06Å |
| 360 | W | 78.8 | Confident | 66.7 | Low | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.096 | C | C | . | . | -128.6 | 93.9 | -123.6 | -110.1 | 125.6 | 0 | 0 | 0 | 121 | L357 I362 G378 A379 L380 K539 I540 E541 D562 S564 G565 | L357-W360 HydrophobicContact CB-CB 3.89Å; L357-W360 HydrophobicContact CB-CG 4.19Å; L357-W360 VanDerWaalsContact O-CB 3.23Å; L357-W360 WeakPolarHBondContact O-CB 3.27Å; W360-I362 PolarHBondContact O-N 3.15Å; W360-G378 PolarHBondContact N-O 2.69Å; W360-A379 PolarHBondContact N-O 2.68Å; W360-L380 VanDerWaalsContact C-CG 3.44Å; W360-L380 WeakPolarHBondContact O-CD1 3.41Å; W360-L380 WeakPolarHBondContact O-CG 3.37Å; W360-K539 HydrophobicContact CE3-CD 4.14Å; W360-K539 HydrophobicContact CE3-CG 4.06Å; W360-K539 HydrophobicContact CH2-CB 3.34Å; W360-K539 HydrophobicContact CH2-CD 4.33Å; W360-K539 HydrophobicContact CH2-CG 3.55Å; W360-K539 HydrophobicContact CZ2-CB 4.48Å; W360-K539 HydrophobicContact CZ3-CB 3.45Å; W360-K539 VanDerWaalsContact CZ3-CB 3.45Å; W360-K539 HydrophobicContact CZ3-CD 3.58Å; W360-K539 HydrophobicContact CZ3-CG 3.27Å; W360-I540 WeakPolarHBondContact CZ2-O 3.28Å; W360-I540 PolarHBondContact NE1-O 3.2Å; W360-E541 HydrophobicContact CB-CB 3.91Å; W360-E541 HydrophobicContact CB-CG 4.37Å; W360-E541 WeakPolarHBondContact CB-OE1 3.32Å; W360-E541 VanDerWaalsContact CD1-CB 3.41Å; W360-E541 HydrophobicContact CD2-CB 3.4Å; W360-E541 HydrophobicContact CD2-CG 3.79Å; W360-E541 VanDerWaalsContact CE2-CB 3.46Å; W360-E541 HydrophobicContact CE3-CB 4.14Å; W360-E541 HydrophobicContact CE3-CG 4.02Å; W360-E541 HydrophobicContact CG-CB 3.28Å; W360-E541 HydrophobicContact CG-CG 3.99Å; W360-E541 VanDerWaalsContact CG-OE1 3.28Å; W360-E541 HydrophobicContact CZ2-CB 4.22Å; W360-E541 HydrophobicContact CZ3-CG 4.49Å; W360-D562 HydrophobicContact CH2-CB 3.6Å; W360-D562 VanDerWaalsContact CH2-O 3.27Å; W360-D562 WeakPolarHBondContact CH2-O 3.29Å; W360-D562 WeakPolarHBondContact CH2-OD1 2.96Å; W360-D562 WeakPolarHBondContact CZ2-O 3.2Å; W360-D562 HydrophobicContact CZ3-CB 4.04Å; W360-D562 WeakPolarHBondContact CZ3-OD1 3.34Å; W360-D562 WeakPolarHBondContact CZ3-OD2 3.41Å; W360-S564 VanDerWaalsContact CE2-CA 3.48Å; W360-S564 VanDerWaalsContact CE2-O 3.25Å; W360-S564 VanDerWaalsContact CZ2-CB 3.47Å; W360-S564 PolarHBondContact NE1-O 3.49Å; W360-G565 VanDerWaalsContact CD1-CA 3.45Å | |||
| 361 | P | 84.2 | Confident | 64 | Low | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.006 | 10% | 0.101 | C | C | . | . | trans | -32.2 | 47 | -179.1 | -42.8 | 44 | 0 | 0 | 0 | 123.9 | G359 R363 T364 L380 V383 K539 | G359-P361 VanDerWaalsContact O-CD 3.27Å; G359-P361 WeakPolarHBondContact O-CD 3.19Å; P361-R363 VanDerWaalsContact C-N 3.3Å; P361-R363 PolarHBondContact O-N 3.3Å; P361-T364 WeakPolarHBondContact CB-OG1 3.31Å; P361-T364 PolarHBondContact O-N 2.83Å; P361-T364 PolarHBondContact O-OG1 3.3Å; P361-L380 VanDerWaalsContact CA-CG 3.48Å; P361-V383 HydrophobicContact CB-CG2 4.32Å; P361-K539 PolarHBondContact O-NZ 3.43Å | ||
| 362 | I | 86.1 | Confident | 61.8 | Low | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 2.1 | -47.4 | 177.1 | -146.7 | 168.6 | 0 | 0 | 0 | 121.3 | R330 L333 I341 T349 W360 L380 H515 K539 | R330-I362 WeakPolarHBondContact CB-O 2.93Å; R330-I362 HydrophobicContact CG-CD1 4.36Å; R330-I362 HydrophobicContact CG-CG1 3.54Å; L333-I362 HydrophobicContact CD1-CD1 4.38Å; L333-I362 HydrophobicContact CD1-CG1 4.41Å; L333-I362 HydrophobicContact CD1-CG2 4.37Å; I341-I362 HydrophobicContact CD1-CG2 3.41Å; I341-I362 VanDerWaalsContact CD1-CG2 3.41Å; T349-I362 HydrophobicContact CG2-CB 4.24Å; T349-I362 HydrophobicContact CG2-CD1 3.64Å; T349-I362 HydrophobicContact CG2-CG2 3.74Å; W360-I362 PolarHBondContact O-N 3.15Å; I362-L380 HydrophobicContact CB-CD1 3.79Å; I362-L380 HydrophobicContact CB-CD2 3.51Å; I362-L380 HydrophobicContact CB-CG 4.11Å; I362-L380 HydrophobicContact CG2-CD2 3.43Å; I362-L380 VanDerWaalsContact CG2-CD2 3.43Å; I362-L380 VanDerWaalsContact N-CD2 3.28Å; I362-H515 PolarHBondContact O-CE1 3.1Å; I362-K539 VanDerWaalsContact CA-NZ 3.34Å |
| 363 | R | 81.2 | Confident | 59.3 | Low | 28 Ų | 28 | 23 Ų | 23 | 11% | 0.106 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -11.6 | -179.1 | -163.2 | -158.2 | -66.1 | -146.2 | -16.6 | 114 | L333 R334 R337 I339 I341 P361 V383 | L333-R363 HydrophobicContact CB-CG 4.06Å; L333-R363 WeakPolarHBondContact O-CD 3.2Å; L333-R363 VanDerWaalsContact O-CG 3.29Å; L333-R363 WeakPolarHBondContact O-CG 3.44Å; R334-R363 HydrophobicContact CB-CG 3.98Å; R334-R363 WeakPolarHBondContact CB-O 3.23Å; R334-R363 WeakPolarHBondContact CD-O 3.31Å; R334-R363 HydrophobicContact CG-CG 3.93Å; R334-R363 WeakPolarHBondContact CG-O 3.48Å; R337-R363 PolarHBondContact O-NH1 2.57Å; I339-R363 PolarHBondContact O-NH1 3.07Å; I339-R363 PolarHBondContact O-NH2 3.25Å; I341-R363 HydrophobicContact CD1-CB 3.97Å; P361-R363 VanDerWaalsContact C-N 3.3Å; P361-R363 PolarHBondContact O-N 3.3Å; R363-V383 HydrophobicContact CB-CG1 4.01Å; R363-V383 HydrophobicContact CB-CG2 4.11Å |
| 364 | T | 70.6 | Confident | 57.3 | Low | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -70.3 | -177.6 | 159.5 | 49 | 0 | 0 | 0 | 0 | 109.1 | R334 P361 V383 H515 K537 K539 | R334-T364 WeakPolarHBondContact CD-O 3.5Å; P361-T364 WeakPolarHBondContact CB-OG1 3.31Å; P361-T364 PolarHBondContact O-N 2.83Å; P361-T364 PolarHBondContact O-OG1 3.3Å; T364-V383 HydrophobicContact CG2-CG1 4.32Å; T364-H515 PolarHBondContact O-CE1 2.77Å; T364-H515 PolarHBondContact O-NE2 2.78Å; T364-K537 HydrophobicContact CG2-CD 4.24Å; T364-K539 WeakPolarHBondContact O-CD 3.23Å; T364-K539 PolarHBondContact O-NZ 2.72Å; T364-K539 WeakPolarHBondContact OG1-CD 2.98Å; T364-K539 WeakPolarHBondContact OG1-CE 3.46Å; T364-K539 PolarHBondContact OG1-NZ 2.91Å |
| 365 | I | 57.9 | Low | 55.6 | Low | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -130.4 | 117 | -149.5 | -65.9 | 153.5 | 0 | 0 | 0 | 111.3 | R334 Y508 S513 V514 K537 L538 K539 | R334-I365 VanDerWaalsContact NE-CG1 3.27Å; I365-Y508 HydrophobicContact CD1-CE2 3.91Å; I365-S513 WeakPolarHBondContact CG1-OG 3.46Å; I365-S513 WeakPolarHBondContact CG2-OG 3.14Å; I365-V514 CarbonylContact C-O 2.96Å; I365-V514 WeakPolarHBondContact CA-O 3.08Å; I365-V514 WeakPolarHBondContact CG2-O 3.03Å; I365-K537 HydrophobicContact CB-CB 3.86Å; I365-K537 HydrophobicContact CB-CD 4.28Å; I365-K537 HydrophobicContact CB-CG 3.83Å; I365-K537 HydrophobicContact CD1-CB 3.75Å; I365-K537 HydrophobicContact CD1-CD 4.02Å; I365-K537 HydrophobicContact CD1-CG 4.19Å; I365-K537 HydrophobicContact CG1-CB 4.38Å; I365-K537 HydrophobicContact CG2-CB 3.95Å; I365-K537 HydrophobicContact CG2-CG 4.37Å; I365-K537 WeakPolarHBondContact CG2-O 3.36Å; I365-L538 CarbonylContact O-C 3.11Å; I365-L538 WeakPolarHBondContact O-CA 3.08Å; I365-L538 PolarHBondContact O-N 2.85Å; I365-K539 VanDerWaalsContact C-CG 3.45Å; I365-K539 WeakPolarHBondContact O-CA 3.31Å; I365-K539 WeakPolarHBondContact O-CB 3.31Å; I365-K539 WeakPolarHBondContact O-CG 3.3Å; I365-K539 PolarHBondContact O-N 2.61Å | ||
| 366 | N | 47.3 | Very low | 53.9 | Low | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -75.6 | 175.5 | -169.1 | -49.3 | -84 | 0 | 0 | 0 | 113.2 | R330 V514 H515 C516 N517 K539 E541 | R330-N366 PolarHBondContact NH1-ND2 3.13Å; R330-N366 PolarHBondContact NH2-ND2 2.77Å; R330-N366 PolarHBondContact NH2-OD1 2.02Å; N366-V514 PolarHBondContact N-O 3.11Å; N366-V514 CarbonylContact O-C 3.34Å; N366-V514 WeakPolarHBondContact O-CA 3.36Å; N366-V514 WeakPolarHBondContact O-CB 3.42Å; N366-H515 VanDerWaalsContact CA-CA 3.45Å; N366-H515 VanDerWaalsContact CA-CD2 3.46Å; N366-H515 WeakPolarHBondContact CA-CD2 3.42Å; N366-H515 HydrophobicContact CB-CB 3.98Å; N366-H515 VanDerWaalsContact CB-CD2 3.42Å; N366-H515 WeakPolarHBondContact CB-CD2 3.12Å; N366-H515 VanDerWaalsContact CG-C 3.49Å; N366-H515 VanDerWaalsContact N-CB 3.25Å; N366-H515 PolarHBondContact N-CD2 3.12Å; N366-H515 WeakPolarHBondContact ND2-CA 3.46Å; N366-H515 PolarHBondContact ND2-CD2 2.67Å; N366-H515 VanDerWaalsContact ND2-CG 3.31Å; N366-H515 PolarHBondContact ND2-O 2.85Å; N366-H515 PolarHBondContact O-N 2.66Å; N366-C516 HydrophobicContact CB-CB 4Å; N366-C516 WeakPolarHBondContact CB-O 3.35Å; N366-C516 WeakPolarHBondContact ND2-CA 3.18Å; N366-C516 PolarHBondContact ND2-N 3.3Å; N366-C516 VanDerWaalsContact ND2-N 3.17Å; N366-C516 PolarHBondContact ND2-O 2.92Å; N366-C516 PolarHBondContact OD1-O 2.79Å; N366-N517 PolarHBondContact ND2-N 3.41Å; N366-K539 WeakPolarHBondContact CA-O 3.48Å; N366-K539 HydrophobicContact CB-CG 4.36Å; N366-K539 WeakPolarHBondContact CB-O 3.07Å; N366-K539 PolarHBondContact OD1-O 2.75Å; N366-E541 WeakPolarHBondContact OD1-CG 3.32Å; N366-E541 PolarHBondContact OD1-N 3.31Å | ||
| 367 | P | 36.2 | Very low | 52 | Low | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -135.6 | -177.9 | -175 | 41.4 | -18.4 | 0 | 0 | 0 | 116.5 | L369 C516 L538 K539 I540 L561 | P367-L369 VanDerWaalsContact C-N 3.29Å; P367-L369 PolarHBondContact O-N 2.8Å; P367-C516 WeakPolarHBondContact O-CB 3.31Å; P367-C516 PolarHBondContact O-SG 2.71Å; P367-L538 HydrophobicContact CB-CB 3.39Å; P367-L538 HydrophobicContact CB-CD1 3.7Å; P367-L538 HydrophobicContact CB-CD2 4.45Å; P367-L538 HydrophobicContact CB-CG 3.21Å; P367-L538 HydrophobicContact CG-CB 4.36Å; P367-K539 VanDerWaalsContact CD-N 3.33Å; P367-K539 WeakPolarHBondContact CD-O 3.33Å; P367-I540 HydrophobicContact CG-CB 4.19Å; P367-I540 HydrophobicContact CG-CD1 3.49Å; P367-I540 VanDerWaalsContact CG-CD1 3.49Å; P367-I540 HydrophobicContact CG-CG1 3.43Å; P367-I540 VanDerWaalsContact CG-CG1 3.43Å; P367-L561 HydrophobicContact CG-CD1 4.39Å | ||
| 368 | E | 34.5 | Very low | 50 | Low | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | -38 | 84.4 | 123 | -47.6 | 101.5 | -101.3 | 0 | 0 | 117.1 | V524 V525 L528 L538 L553 L556 | E368-V524 HydrophobicContact CG-CG1 4.08Å; E368-V525 HydrophobicContact CB-CG2 4.19Å; E368-L528 HydrophobicContact CG-CB 3.9Å; E368-L528 HydrophobicContact CG-CD1 4.18Å; E368-L528 WeakPolarHBondContact OE1-CD1 3.14Å; E368-L538 WeakPolarHBondContact OE1-CD1 3.5Å; E368-L538 WeakPolarHBondContact OE2-CD2 3.3Å; E368-L553 HydrophobicContact CB-CD2 4.09Å; E368-L553 WeakPolarHBondContact O-CD2 3.3Å; E368-L556 HydrophobicContact CB-CD1 3.22Å; E368-L556 HydrophobicContact CB-CG 4.45Å; E368-L556 HydrophobicContact CG-CD1 3.35Å; E368-L556 HydrophobicContact CG-CD2 3.8Å; E368-L556 HydrophobicContact CG-CG 4.15Å | |||
| 369 | L | 36 | Very low | 47.5 | Very low | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | -121.5 | 62.9 | 110.7 | -61.4 | -176.9 | 0 | 0 | 0 | 105.8 | P367 D520 I521 I540 I545 L548 L553 L563 | P367-L369 VanDerWaalsContact C-N 3.29Å; P367-L369 PolarHBondContact O-N 2.8Å; L369-D520 CarbonylContact O-C 3.52Å; L369-I521 HydrophobicContact CB-CB 4.1Å; L369-I521 HydrophobicContact CB-CD1 3.99Å; L369-I521 HydrophobicContact CB-CG1 3.77Å; L369-I521 HydrophobicContact CD1-CD1 3.98Å; L369-I521 HydrophobicContact CD2-CD1 3.41Å; L369-I521 VanDerWaalsContact CD2-CD1 3.41Å; L369-I521 HydrophobicContact CD2-CG1 3.88Å; L369-I521 HydrophobicContact CG-CD1 3.96Å; L369-I521 HydrophobicContact CG-CG1 4.27Å; L369-I521 WeakPolarHBondContact O-CA 3.22Å; L369-I521 PolarHBondContact O-N 2.8Å; L369-I540 HydrophobicContact CB-CD1 3.98Å; L369-I540 HydrophobicContact CB-CG1 3.39Å; L369-I540 HydrophobicContact CD1-CD1 3.54Å; L369-I540 HydrophobicContact CD1-CG1 3.78Å; L369-I540 HydrophobicContact CG-CD1 3.35Å; L369-I540 HydrophobicContact CG-CG1 3.4Å; L369-I545 HydrophobicContact CB-CD1 3.54Å; L369-I545 HydrophobicContact CD1-CD1 3.49Å; L369-I545 VanDerWaalsContact CD1-CD1 3.49Å; L369-I545 HydrophobicContact CD1-CG2 4.49Å; L369-I545 HydrophobicContact CG-CD1 4.14Å; L369-L548 HydrophobicContact CD1-CD1 4.03Å; L369-L548 HydrophobicContact CD1-CD2 4.21Å; L369-L548 HydrophobicContact CD2-CD1 4.08Å; L369-L553 HydrophobicContact CD2-CD1 3.59Å; L369-L553 HydrophobicContact CD2-CD2 3.69Å; L369-L553 HydrophobicContact CD2-CG 3.38Å; L369-L563 HydrophobicContact CD1-CD1 4.27Å; L369-L563 HydrophobicContact CD1-CD2 3.99Å; L369-L563 HydrophobicContact CG-CD2 4.2Å | |
| 370 | P | 29.4 | Very low | 45.1 | Very low | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | 40.6 | -176.1 | 171 | -14.4 | -16.5 | 0 | 0 | 0 | 126.9 | V519 D520 I521 A522 T523 V524 V525 | P370-V519 CarbonylContact C-O 2.94Å; P370-D520 VanDerWaalsContact C-C 3.45Å; P370-D520 CarbonylContact C-O 3Å; P370-D520 WeakPolarHBondContact CA-O 3.31Å; P370-D520 WeakPolarHBondContact CB-O 3.29Å; P370-I521 HydrophobicContact CG-CB 4.38Å; P370-I521 HydrophobicContact CG-CG1 3.94Å; P370-I521 VanDerWaalsContact CG-O 3.29Å; P370-I521 WeakPolarHBondContact CG-O 3.41Å; P370-A522 VanDerWaalsContact CB-N 3.33Å; P370-T523 CarbonylContact O-C 3.06Å; P370-T523 WeakPolarHBondContact O-CA 3.25Å; P370-T523 PolarHBondContact O-N 2.96Å; P370-V524 VanDerWaalsContact C-CG2 3.43Å; P370-V524 VanDerWaalsContact CA-CB 3.45Å; P370-V524 VanDerWaalsContact CA-CG2 3.47Å; P370-V524 HydrophobicContact CB-CB 4.25Å; P370-V524 WeakPolarHBondContact O-CG2 3.44Å; P370-V524 PolarHBondContact O-N 2.77Å; P370-V525 VanDerWaalsContact CD-CG2 3.47Å; P370-V525 HydrophobicContact CG-CB 3.67Å; P370-V525 HydrophobicContact CG-CG2 3.23Å; P370-V525 VanDerWaalsContact CG-N 3.32Å | ||
| 371 | I | 30.9 | Very low | 42.7 | Very low | 30 Ų | 30 | 23.9 Ų | 23.9 | 15% | 0.154 | 14% | 0.135 | C | C | . | . | cis | 36 | 114.8 | 34.8 | 5.7 | 163.4 | 0 | 0 | 0 | 118.1 | P500 V519 D520 T523 V524 | I371-P500 HydrophobicContact CD1-CB 3.55Å; I371-P500 HydrophobicContact CD1-CG 3.44Å; I371-P500 VanDerWaalsContact CD1-CG 3.44Å; I371-P500 HydrophobicContact CG1-CB 3.69Å; I371-P500 HydrophobicContact CG1-CG 3.47Å; I371-P500 VanDerWaalsContact CG1-CG 3.47Å; I371-V519 VanDerWaalsContact CA-CG1 3.4Å; I371-V519 HydrophobicContact CB-CG1 3.5Å; I371-V519 VanDerWaalsContact CB-CG1 3.5Å; I371-V519 HydrophobicContact CG1-CG1 3.34Å; I371-V519 HydrophobicContact CG2-CG1 3.65Å; I371-V519 PolarHBondContact N-O 3.02Å; I371-V519 VanDerWaalsContact N-O 3.17Å; I371-D520 CarbonylContact C-O 3.03Å; I371-D520 VanDerWaalsContact CA-O 3.29Å; I371-D520 WeakPolarHBondContact CA-O 3.43Å; I371-D520 VanDerWaalsContact N-N 3.18Å; I371-D520 PolarHBondContact N-O 3.24Å; I371-T523 HydrophobicContact CD1-CG2 3.38Å; I371-T523 HydrophobicContact CG1-CG2 3.92Å; I371-T523 WeakPolarHBondContact O-CB 3.2Å; I371-T523 PolarHBondContact O-N 3.3Å; I371-T523 PolarHBondContact O-OG1 2.65Å; I371-T523 VanDerWaalsContact O-OG1 3.07Å; I371-V524 HydrophobicContact CG1-CG2 4.22Å | ||
| 372 | I | 41.9 | Very low | 39.8 | Very low | 106 Ų | 106 | 25.6 Ų | 25.6 | 54% | 0.544 | 15% | 0.147 | S | C | . | . | cis | -169 | 154.9 | 33.8 | -4.5 | 173.5 | 0 | 0 | 0 | 112.4 | D520 | I372-D520 VanDerWaalsContact C-CB 3.45Å; I372-D520 PolarHBondContact N-O 2.9Å; I372-D520 PolarHBondContact N-OD2 2.8Å; I372-D520 WeakPolarHBondContact O-CB 3.41Å; I372-D520 VanDerWaalsContact O-CG 3.22Å | ||
| 373 | P | 33.1 | Very low | 37.2 | Very low | 99 Ų | 99 | 27.4 Ų | 27.4 | 64% | 0.643 | 16% | 0.157 | S | C | * | . | cis | -140.6 | 136.8 | -18.9 | 31 | -8 | 0 | 0 | 0 | 118.3 | ||||
| 374 | G | 33.2 | Very low | 34.6 | Very low | 5 Ų | 5 | 29 Ų | 29 | 5% | 0.052 | 17% | 0.17 | C | C | . | . | trans | 57.6 | 178.9 | 147.3 | 0 | 0 | 0 | 0 | 0 | 122.6 | N544 | G374-N544 WeakPolarHBondContact O-CB 3.4Å; G374-N544 PolarHBondContact O-ND2 2.95Å | ||
| 375 | P | 30.4 | Very low | 32.6 | Very low | 74 Ų | 74 | 29.4 Ų | 29.4 | 48% | 0.481 | 17% | 0.172 | S | C | . | . | cis | -141.7 | 157.3 | -15.1 | 41.1 | -23.8 | 0 | 0 | 0 | 116.4 | P356 | P356-P375 VanDerWaalsContact CD-O 3.31Å; P356-P375 WeakPolarHBondContact CD-O 3.43Å | ||
| 376 | E | 28 | Very low | 31.2 | Very low | 20 Ų | 20 | 33.2 Ų | 33.2 | 9% | 0.093 | 20% | 0.199 | C | C | . | . | cis | -163 | 22.6 | -9 | -103.8 | -118.6 | 119.2 | 0 | 0 | 121.2 | N321 D323 P324 G353 P354 G355 Q518 N542 | N321-E376 PolarHBondContact ND2-OE2 3.06Å; D323-E376 VanDerWaalsContact CA-OE1 3.28Å; D323-E376 WeakPolarHBondContact CA-OE1 3.12Å; D323-E376 VanDerWaalsContact CB-CD 3.45Å; D323-E376 WeakPolarHBondContact CB-OE1 3.02Å; D323-E376 WeakPolarHBondContact CB-OE2 3.5Å; P324-E376 WeakPolarHBondContact CD-OE1 3.13Å; G353-E376 VanDerWaalsContact C-C 3.44Å; G353-E376 CarbonylContact O-C 3.35Å; P354-E376 HydrophobicContact CG-CB 4.07Å; G355-E376 VanDerWaalsContact N-N 3.2Å; E376-Q518 HydrophobicContact CG-CG 3.88Å; E376-Q518 WeakPolarHBondContact OE1-CB 3.43Å; E376-Q518 VanDerWaalsContact OE1-CD 3.27Å; E376-Q518 WeakPolarHBondContact OE1-CG 3.35Å; E376-Q518 PolarHBondContact OE1-NE2 3.06Å; E376-Q518 PolarHBondContact OE2-NE2 3.43Å; E376-N542 VanDerWaalsContact CA-CG 3.43Å; E376-N542 VanDerWaalsContact CA-ND2 3.26Å; E376-N542 WeakPolarHBondContact CA-ND2 2.9Å; E376-N542 WeakPolarHBondContact CA-OD1 3.43Å; E376-N542 VanDerWaalsContact CD-ND2 3.3Å; E376-N542 WeakPolarHBondContact CG-ND2 3.46Å; E376-N542 PolarHBondContact O-ND2 2.74Å; E376-N542 PolarHBondContact O-OD1 2.73Å; E376-N542 PolarHBondContact OE1-ND2 3.49Å | ||
| 377 | S | 29.1 | Very low | 30.4 | Very low | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | 164.5 | 170 | 151.7 | 69.6 | 0 | 0 | 0 | 0 | 120.2 | W320 K352 G353 G355 L357 L358 N542 | W320-S377 WeakPolarHBondContact O-CB 2.94Å; W320-S377 PolarHBondContact O-OG 2.94Å; K352-S377 VanDerWaalsContact C-C 3.44Å; K352-S377 CarbonylContact C-O 3.32Å; K352-S377 PolarHBondContact N-OG 3.17Å; G353-S377 VanDerWaalsContact C-OG 3.31Å; G353-S377 WeakPolarHBondContact CA-O 3.41Å; G353-S377 WeakPolarHBondContact CA-OG 3.49Å; G353-S377 PolarHBondContact N-O 2.98Å; G353-S377 PolarHBondContact N-OG 3.12Å; G353-S377 WeakPolarHBondContact O-CB 3.46Å; G353-S377 PolarHBondContact O-N 3.47Å; G353-S377 VanDerWaalsContact O-N 3.12Å; G353-S377 PolarHBondContact O-OG 2.99Å; G355-S377 PolarHBondContact N-O 2.94Å; G355-S377 CarbonylContact O-C 3.58Å; G355-S377 WeakPolarHBondContact O-CA 3.19Å; G355-S377 PolarHBondContact O-N 3.3Å; L357-S377 CarbonylContact O-C 3.53Å; L358-S377 WeakPolarHBondContact CD1-O 3.47Å; S377-N542 WeakPolarHBondContact CA-OD1 3.17Å; S377-N542 PolarHBondContact N-OD1 3.23Å | ||
| 378 | G | 27.4 | Very low | 30.4 | Very low | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | 175.2 | -164.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 122.7 | C351 K352 L357 G359 W360 L380 | C351-G378 VanDerWaalsContact C-N 3.34Å; C351-G378 CarbonylContact C-O 3.56Å; C351-G378 VanDerWaalsContact CA-O 3.24Å; C351-G378 WeakPolarHBondContact CA-O 3.49Å; C351-G378 VanDerWaalsContact CB-O 3.23Å; C351-G378 WeakPolarHBondContact CB-O 3.15Å; C351-G378 PolarHBondContact N-O 3.1Å; C351-G378 CarbonylContact O-C 3.58Å; C351-G378 WeakPolarHBondContact O-CA 3.38Å; K352-G378 VanDerWaalsContact CA-CA 3.44Å; K352-G378 VanDerWaalsContact N-CA 3.26Å; K352-G378 VanDerWaalsContact N-N 3.14Å; L357-G378 CarbonylContact O-C 3.23Å; L357-G378 WeakPolarHBondContact O-CA 3.01Å; L357-G378 PolarHBondContact O-N 2.94Å; G359-G378 VanDerWaalsContact N-C 3.32Å; W360-G378 PolarHBondContact N-O 2.69Å; G378-L380 PolarHBondContact O-N 3.03Å |
| 379 | A | 25.7 | Very low | 30.5 | Very low | 38 Ų | 38 | 44.4 Ų | 44.4 | 31% | 0.314 | 26% | 0.258 | S | S | . | . | trans | -65.3 | 85 | -148.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | C351 L358 G359 W360 K381 | C351-A379 PolarHBondContact O-N 3.07Å; L358-A379 PolarHBondContact O-N 3.03Å; G359-A379 CarbonylContact C-O 3.57Å; G359-A379 VanDerWaalsContact CA-C 3.48Å; G359-A379 WeakPolarHBondContact CA-O 3.21Å; W360-A379 PolarHBondContact N-O 2.68Å; A379-K381 PolarHBondContact O-N 3.01Å | ||
| 380 | L | 25.3 | Very low | 30.7 | Very low | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | trans | -38.9 | 128.8 | 171.1 | -87 | 70.5 | 0 | 0 | 0 | 114.4 | P348 T349 V350 C351 W360 P361 I362 G378 | P348-L380 HydrophobicContact CG-CB 4.41Å; T349-L380 HydrophobicContact CG2-CD2 4.01Å; T349-L380 WeakPolarHBondContact O-CB 3.3Å; T349-L380 WeakPolarHBondContact O-CD2 3.32Å; T349-L380 WeakPolarHBondContact O-CG 3.09Å; V350-L380 VanDerWaalsContact C-CD1 3.49Å; V350-L380 HydrophobicContact CB-CB 4.39Å; V350-L380 HydrophobicContact CG1-CB 3.91Å; C351-L380 HydrophobicContact CB-CD1 4.31Å; W360-L380 VanDerWaalsContact C-CG 3.44Å; W360-L380 WeakPolarHBondContact O-CD1 3.41Å; W360-L380 WeakPolarHBondContact O-CG 3.37Å; P361-L380 VanDerWaalsContact CA-CG 3.48Å; I362-L380 HydrophobicContact CB-CD1 3.79Å; I362-L380 HydrophobicContact CB-CD2 3.51Å; I362-L380 HydrophobicContact CB-CG 4.11Å; I362-L380 HydrophobicContact CG2-CD2 3.43Å; I362-L380 VanDerWaalsContact CG2-CD2 3.43Å; I362-L380 VanDerWaalsContact N-CD2 3.28Å; G378-L380 PolarHBondContact O-N 3.03Å | ||
| 381 | K | 28.3 | Very low | 31 | Very low | 95 Ų | 95 | 54.4 Ų | 54.4 | 41% | 0.413 | 31% | 0.307 | S | S | . | . | trans | -166.2 | 134.1 | 144 | -106.9 | 173.5 | -158.9 | 75.2 | 0 | 111.1 | P348 A379 N609 | P348-K381 HydrophobicContact CG-CG 3.69Å; A379-K381 PolarHBondContact O-N 3.01Å; K381-N609 PolarHBondContact O-ND2 2.97Å | ||
| 382 | P | 24.1 | Very low | 31.3 | Very low | 38 Ų | 38 | 55.4 Ų | 55.4 | 25% | 0.247 | 32% | 0.319 | C | S | . | . | cis | -129.6 | 168.5 | -15.5 | 37.9 | -20.9 | 0 | 0 | 0 | 114.5 | T384 | P382-T384 HydrophobicContact CG-CG2 4.14Å; P382-T384 PolarHBondContact O-N 2.85Å | ||
| 383 | V | 30.3 | Very low | 31.5 | Very low | 37 Ų | 37 | 59.1 Ų | 59.1 | 22% | 0.224 | 33% | 0.326 | C | S | . | . | trans | -87.7 | 75.8 | 178.2 | -173.9 | 0 | 0 | 0 | 0 | 112.2 | P361 R363 T364 E385 | P361-V383 HydrophobicContact CB-CG2 4.32Å; R363-V383 HydrophobicContact CB-CG1 4.01Å; R363-V383 HydrophobicContact CB-CG2 4.11Å; T364-V383 HydrophobicContact CG2-CG1 4.32Å; V383-E385 VanDerWaalsContact C-N 3.33Å; V383-E385 PolarHBondContact O-N 3.45Å | ||
| 384 | T | 27.4 | Very low | 32 | Very low | 61 Ų | 61 | 59 Ų | 59 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | trans | -80.8 | 62.2 | 179 | 42.2 | 0 | 0 | 0 | 0 | 113.8 | P382 | P382-T384 HydrophobicContact CG-CG2 4.14Å; P382-T384 PolarHBondContact O-N 2.85Å | ||
| 385 | E | 27.5 | Very low | 32.6 | Very low | 10 Ų | 10 | 63.9 Ų | 63.9 | 5% | 0.047 | 34% | 0.34 | C | S | . | . | trans | -149.5 | 10.8 | -174.2 | -136.7 | 172.7 | -91.3 | 0 | 0 | 119.9 | R337 V383 I387 A388 K537 R560 | R337-E385 IonicContact CZ-OE2 3.1Å; R337-E385 PolarHBondContact NH1-O 2.79Å; R337-E385 IonicContact NH1-OE2 2.69Å; R337-E385 PolarHBondContact NH1-OE2 2.69Å; R337-E385 IonicContact NH2-OE2 2.67Å; R337-E385 PolarHBondContact NH2-OE2 3.48Å; V383-E385 VanDerWaalsContact C-N 3.33Å; V383-E385 PolarHBondContact O-N 3.45Å; E385-I387 VanDerWaalsContact C-N 3.31Å; E385-A388 HydrophobicContact CG-CB 3.83Å; E385-K537 WeakPolarHBondContact OE1-CD 3.34Å; E385-K537 WeakPolarHBondContact OE1-CE 3.41Å; E385-K537 IonicContact OE1-NZ 2.74Å; E385-K537 PolarHBondContact OE1-NZ 3.33Å; E385-R560 IonicContact OE1-CZ 2.82Å; E385-R560 IonicContact OE1-NE 3.32Å; E385-R560 IonicContact OE1-NH1 2.67Å; E385-R560 PolarHBondContact OE1-NH1 2.81Å; E385-R560 IonicContact OE1-NH2 3.48Å; E385-R560 IonicContact OE2-NH1 2.81Å | ||
| 386 | S | 29 | Very low | 33.6 | Very low | 81 Ų | 81 | 64.8 Ų | 64.8 | 57% | 0.566 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -66.4 | -37.8 | 164.9 | -178.8 | 0 | 0 | 0 | 0 | 111.3 | A388 H389 N390 | S386-A388 PolarHBondContact O-N 2.01Å; S386-A388 VanDerWaalsContact O-N 3.08Å; S386-H389 PolarHBondContact O-N 3.19Å; S386-N390 PolarHBondContact O-N 3.27Å |
| 387 | I | 30.7 | Very low | 34.8 | Very low | 124 Ų | 124 | 66.3 Ų | 66.3 | 64% | 0.636 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.3 | -22.6 | 179.5 | -60.3 | 173.5 | 0 | 0 | 0 | 111.9 | E385 K391 | E385-I387 VanDerWaalsContact C-N 3.31Å; I387-K391 HydrophobicContact CG2-CD 4.33Å; I387-K391 HydrophobicContact CG2-CG 4.21Å; I387-K391 WeakPolarHBondContact O-CA 3.24Å; I387-K391 WeakPolarHBondContact O-CB 3.46Å; I387-K391 VanDerWaalsContact O-CG 3.24Å; I387-K391 WeakPolarHBondContact O-CG 3.35Å; I387-K391 PolarHBondContact O-N 2.77Å |
| 388 | A | 36.5 | Very low | 36.1 | Very low | 28 Ų | 28 | 68.9 Ų | 68.9 | 23% | 0.231 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -71.8 | -40.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E385 S386 K391 A392 | E385-A388 HydrophobicContact CG-CB 3.83Å; S386-A388 PolarHBondContact O-N 2.01Å; S386-A388 VanDerWaalsContact O-N 3.08Å; A388-K391 CarbonylContact O-C 3.55Å; A388-K391 WeakPolarHBondContact O-CB 3.44Å; A388-K391 PolarHBondContact O-N 3.3Å; A388-A392 PolarHBondContact O-N 3.02Å |
| 389 | H | 36.6 | Very low | 37.5 | Very low | 84 Ų | 84 | 73.5 Ų | 73.5 | 39% | 0.389 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -85.5 | -26.6 | -177.8 | -144.8 | -45.9 | 0 | 0 | 0 | 112.4 | S386 A392 R393 | S386-H389 PolarHBondContact O-N 3.19Å; H389-A392 PolarHBondContact O-N 2.97Å; H389-R393 PolarHBondContact O-N 3.18Å |
| 390 | N | 40.3 | Very low | 39.3 | Very low | 97 Ų | 97 | 75.9 Ų | 75.9 | 52% | 0.519 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -72.5 | -32.9 | 162 | -79.4 | -11.7 | 0 | 0 | 0 | 111.7 | S386 A392 R393 M394 | S386-N390 PolarHBondContact O-N 3.27Å; N390-A392 VanDerWaalsContact C-N 3.34Å; N390-R393 CarbonylContact O-C 3.47Å; N390-R393 PolarHBondContact O-N 3.07Å; N390-M394 VanDerWaalsContact O-CB 3.24Å; N390-M394 WeakPolarHBondContact O-CB 3.31Å; N390-M394 WeakPolarHBondContact O-CG 3.34Å; N390-M394 PolarHBondContact O-N 2.87Å |
| 391 | K | 35.6 | Very low | 41.3 | Very low | 113 Ų | 113 | 80.1 Ų | 80.1 | 49% | 0.491 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.5 | -38.9 | 165.1 | -92.4 | -177.1 | 175.7 | -177.7 | 0 | 111.4 | I387 A388 R393 M394 H395 | I387-K391 HydrophobicContact CG2-CD 4.33Å; I387-K391 HydrophobicContact CG2-CG 4.21Å; I387-K391 WeakPolarHBondContact O-CA 3.24Å; I387-K391 WeakPolarHBondContact O-CB 3.46Å; I387-K391 VanDerWaalsContact O-CG 3.24Å; I387-K391 WeakPolarHBondContact O-CG 3.35Å; I387-K391 PolarHBondContact O-N 2.77Å; A388-K391 CarbonylContact O-C 3.55Å; A388-K391 WeakPolarHBondContact O-CB 3.44Å; A388-K391 PolarHBondContact O-N 3.3Å; K391-R393 PolarHBondContact O-N 2.92Å; K391-M394 CarbonylContact O-C 3.54Å; K391-M394 PolarHBondContact O-N 3.31Å; K391-H395 WeakPolarHBondContact O-CA 3.47Å; K391-H395 WeakPolarHBondContact O-CB 3.23Å; K391-H395 PolarHBondContact O-CD2 2.85Å; K391-H395 PolarHBondContact O-N 2.81Å |
| 392 | A | 37.7 | Very low | 43.1 | Very low | 51 Ų | 51 | 77.5 Ų | 77.5 | 42% | 0.421 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A388 H389 N390 L396 | A388-A392 PolarHBondContact O-N 3.02Å; H389-A392 PolarHBondContact O-N 2.97Å; N390-A392 VanDerWaalsContact C-N 3.34Å; A392-L396 WeakPolarHBondContact O-CB 3.28Å; A392-L396 PolarHBondContact O-N 3.17Å |
| 393 | R | 45.3 | Very low | 45.2 | Very low | 183 Ų | 183 | 80.6 Ų | 80.6 | 69% | 0.691 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -70.7 | -34.1 | 174 | -83.3 | -178.3 | 157.2 | 137.5 | -3.1 | 113.8 | H389 N390 K391 A397 | H389-R393 PolarHBondContact O-N 3.18Å; N390-R393 CarbonylContact O-C 3.47Å; N390-R393 PolarHBondContact O-N 3.07Å; K391-R393 PolarHBondContact O-N 2.92Å; R393-A397 VanDerWaalsContact O-CB 3.27Å; R393-A397 WeakPolarHBondContact O-CB 3.06Å; R393-A397 PolarHBondContact O-N 2.8Å |
| 394 | M | 44.1 | Very low | 47.1 | Very low | 97 Ų | 97 | 83.4 Ų | 83.4 | 48% | 0.478 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -78.3 | -27.9 | 175.9 | -69.5 | -121.7 | -67.5 | 0 | 0 | 113.1 | N390 K391 A398 | N390-M394 VanDerWaalsContact O-CB 3.24Å; N390-M394 WeakPolarHBondContact O-CB 3.31Å; N390-M394 WeakPolarHBondContact O-CG 3.34Å; N390-M394 PolarHBondContact O-N 2.87Å; K391-M394 CarbonylContact O-C 3.54Å; K391-M394 PolarHBondContact O-N 3.31Å; M394-A398 WeakPolarHBondContact O-CA 3.17Å; M394-A398 WeakPolarHBondContact O-CB 3.46Å; M394-A398 PolarHBondContact O-N 3.22Å |
| 395 | H | 44.6 | Very low | 49.4 | Very low | 108 Ų | 108 | 85.6 Ų | 85.6 | 50% | 0.5 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -76.8 | -34.6 | 170.2 | -72.5 | -53.9 | 0 | 0 | 0 | 110.2 | K391 A398 M399 | K391-H395 WeakPolarHBondContact O-CA 3.47Å; K391-H395 WeakPolarHBondContact O-CB 3.23Å; K391-H395 PolarHBondContact O-CD2 2.85Å; K391-H395 PolarHBondContact O-N 2.81Å; H395-A398 PolarHBondContact O-N 2.78Å; H395-M399 VanDerWaalsContact O-CB 3.24Å; H395-M399 WeakPolarHBondContact O-CB 3.16Å; H395-M399 WeakPolarHBondContact O-CE 3.2Å; H395-M399 VanDerWaalsContact O-CG 3.24Å; H395-M399 WeakPolarHBondContact O-CG 3.47Å; H395-M399 PolarHBondContact O-N 3.09Å |
| 396 | L | 52 | Low | 51.4 | Low | 92 Ų | 92 | 86.5 Ų | 86.5 | 48% | 0.482 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.2 | -46.1 | 167.7 | -169.8 | 66.1 | 0 | 0 | 0 | 110.8 | A392 M399 I400 | A392-L396 WeakPolarHBondContact O-CB 3.28Å; A392-L396 PolarHBondContact O-N 3.17Å; L396-M399 HydrophobicContact CD1-CE 4.3Å; L396-M399 PolarHBondContact O-N 2.76Å; L396-I400 HydrophobicContact CG-CD1 4.22Å; L396-I400 WeakPolarHBondContact O-CB 3.02Å; L396-I400 WeakPolarHBondContact O-CD1 3.42Å; L396-I400 VanDerWaalsContact O-CG1 3.23Å; L396-I400 WeakPolarHBondContact O-CG1 3.24Å; L396-I400 PolarHBondContact O-N 2.69Å |
| 397 | A | 53 | Low | 53.5 | Low | 53 Ų | 53 | 87.4 Ų | 87.4 | 44% | 0.438 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.1 | -35 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R393 I400 L401 | R393-A397 VanDerWaalsContact O-CB 3.27Å; R393-A397 WeakPolarHBondContact O-CB 3.06Å; R393-A397 PolarHBondContact O-N 2.8Å; A397-I400 PolarHBondContact O-N 3Å; A397-L401 VanDerWaalsContact O-CB 3.24Å; A397-L401 WeakPolarHBondContact O-CB 3.45Å; A397-L401 PolarHBondContact O-N 3.07Å |
| 398 | A | 56.3 | Low | 55.5 | Low | 54 Ų | 54 | 88.2 Ų | 88.2 | 45% | 0.446 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -79 | -27.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | M394 H395 G402 | M394-A398 WeakPolarHBondContact O-CA 3.17Å; M394-A398 WeakPolarHBondContact O-CB 3.46Å; M394-A398 PolarHBondContact O-N 3.22Å; H395-A398 PolarHBondContact O-N 2.78Å; A398-G402 WeakPolarHBondContact O-CA 3.24Å; A398-G402 PolarHBondContact O-N 3.03Å |
| 399 | M | 57.9 | Low | 57.4 | Low | 97 Ų | 97 | 92.1 Ų | 92.1 | 48% | 0.478 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.9 | -44.8 | 164.7 | -79.3 | -173.2 | -69.1 | 0 | 0 | 109.9 | H395 L396 G402 I403 | H395-M399 VanDerWaalsContact O-CB 3.24Å; H395-M399 WeakPolarHBondContact O-CB 3.16Å; H395-M399 WeakPolarHBondContact O-CE 3.2Å; H395-M399 VanDerWaalsContact O-CG 3.24Å; H395-M399 WeakPolarHBondContact O-CG 3.47Å; H395-M399 PolarHBondContact O-N 3.09Å; L396-M399 HydrophobicContact CD1-CE 4.3Å; L396-M399 PolarHBondContact O-N 2.76Å; M399-G402 PolarHBondContact O-N 3.3Å; M399-I403 VanDerWaalsContact O-CB 3.26Å; M399-I403 WeakPolarHBondContact O-CB 2.98Å; M399-I403 WeakPolarHBondContact O-CD1 3.45Å; M399-I403 WeakPolarHBondContact O-CG1 3.28Å; M399-I403 PolarHBondContact O-N 2.95Å |
| 400 | I | 62.2 | Low | 59.2 | Low | 89 Ų | 89 | 92.4 Ų | 92.4 | 46% | 0.456 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 174.9 | -69.9 | 163.4 | 0 | 0 | 0 | 110.9 | L396 A397 I403 I404 | L396-I400 HydrophobicContact CG-CD1 4.22Å; L396-I400 WeakPolarHBondContact O-CB 3.02Å; L396-I400 WeakPolarHBondContact O-CD1 3.42Å; L396-I400 VanDerWaalsContact O-CG1 3.23Å; L396-I400 WeakPolarHBondContact O-CG1 3.24Å; L396-I400 PolarHBondContact O-N 2.69Å; A397-I400 PolarHBondContact O-N 3Å; I400-I403 PolarHBondContact O-N 3.38Å; I400-I404 HydrophobicContact CG2-CD1 3.81Å; I400-I404 WeakPolarHBondContact O-CB 3.24Å; I400-I404 VanDerWaalsContact O-CG1 3.24Å; I400-I404 WeakPolarHBondContact O-CG1 3.45Å; I400-I404 PolarHBondContact O-N 3.06Å |
| 401 | L | 67.2 | Low | 60.9 | Low | 91 Ų | 91 | 90.7 Ų | 90.7 | 48% | 0.476 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 176.3 | -175.3 | 62.3 | 0 | 0 | 0 | 112 | A397 I404 L405 | A397-L401 VanDerWaalsContact O-CB 3.24Å; A397-L401 WeakPolarHBondContact O-CB 3.45Å; A397-L401 PolarHBondContact O-N 3.07Å; L401-I404 PolarHBondContact O-N 3.2Å; L401-L405 HydrophobicContact CD1-CD1 4.4Å; L401-L405 HydrophobicContact CD1-CG 4.47Å; L401-L405 HydrophobicContact CG-CD1 4.06Å; L401-L405 VanDerWaalsContact O-CB 3.3Å; L401-L405 WeakPolarHBondContact O-CB 3.35Å; L401-L405 VanDerWaalsContact O-CG 3.3Å; L401-L405 WeakPolarHBondContact O-CG 3.26Å; L401-L405 PolarHBondContact O-N 3.16Å |
| 402 | G | 66.9 | Low | 62.9 | Low | 40.5 Ų | 40.5 | 89.5 Ų | 89.5 | 42% | 0.418 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.6 | -37 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A398 M399 G406 | A398-G402 WeakPolarHBondContact O-CA 3.24Å; A398-G402 PolarHBondContact O-N 3.03Å; M399-G402 PolarHBondContact O-N 3.3Å; G402-G406 WeakPolarHBondContact O-CA 3.46Å; G402-G406 PolarHBondContact O-N 2.93Å |
| 403 | I | 69.1 | Low | 64.7 | Low | 102 Ų | 102 | 91.5 Ų | 91.5 | 52% | 0.523 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.8 | -43.9 | 172.5 | -70.8 | 163.6 | 0 | 0 | 0 | 110.2 | M399 I400 G406 I407 | M399-I403 VanDerWaalsContact O-CB 3.26Å; M399-I403 WeakPolarHBondContact O-CB 2.98Å; M399-I403 WeakPolarHBondContact O-CD1 3.45Å; M399-I403 WeakPolarHBondContact O-CG1 3.28Å; M399-I403 PolarHBondContact O-N 2.95Å; I400-I403 PolarHBondContact O-N 3.38Å; I403-G406 PolarHBondContact O-N 3.33Å; I403-I407 HydrophobicContact CG2-CD1 3.77Å; I403-I407 HydrophobicContact CG2-CG1 4.45Å; I403-I407 WeakPolarHBondContact O-CB 3.49Å; I403-I407 WeakPolarHBondContact O-CD1 3.28Å; I403-I407 VanDerWaalsContact O-CG1 3.32Å; I403-I407 WeakPolarHBondContact O-CG1 3.47Å; I403-I407 PolarHBondContact O-N 3.1Å |
| 404 | I | 70 | Confident | 66.1 | Low | 96.5 Ų | 96.5 | 87.5 Ų | 87.5 | 50% | 0.495 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63 | -46.8 | 176.4 | -70.9 | 165.9 | 0 | 0 | 0 | 110.9 | I400 L401 G406 I407 F408 | I400-I404 HydrophobicContact CG2-CD1 3.81Å; I400-I404 WeakPolarHBondContact O-CB 3.24Å; I400-I404 VanDerWaalsContact O-CG1 3.24Å; I400-I404 WeakPolarHBondContact O-CG1 3.45Å; I400-I404 PolarHBondContact O-N 3.06Å; L401-I404 PolarHBondContact O-N 3.2Å; I404-G406 VanDerWaalsContact C-N 3.34Å; I404-G406 PolarHBondContact O-N 3.05Å; I404-I407 PolarHBondContact O-N 3.34Å; I404-F408 WeakPolarHBondContact O-CB 3.25Å; I404-F408 PolarHBondContact O-N 3.33Å |
| 405 | L | 74 | Confident | 67.6 | Low | 107.5 Ų | 107.5 | 88 Ų | 88 | 56% | 0.563 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.1 | -38.4 | 175.3 | -74.4 | 169.4 | 0 | 0 | 0 | 111.8 | L401 F408 L409 | L401-L405 HydrophobicContact CD1-CD1 4.4Å; L401-L405 HydrophobicContact CD1-CG 4.47Å; L401-L405 HydrophobicContact CG-CD1 4.06Å; L401-L405 VanDerWaalsContact O-CB 3.3Å; L401-L405 WeakPolarHBondContact O-CB 3.35Å; L401-L405 VanDerWaalsContact O-CG 3.3Å; L401-L405 WeakPolarHBondContact O-CG 3.26Å; L401-L405 PolarHBondContact O-N 3.16Å; L405-F408 PolarHBondContact O-N 3.16Å; L405-L409 WeakPolarHBondContact O-CB 3.4Å; L405-L409 PolarHBondContact O-N 2.88Å |
| 406 | G | 70.3 | Confident | 69.2 | Low | 28 Ų | 28 | 87.3 Ų | 87.3 | 29% | 0.289 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.4 | -46.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | G402 I403 I404 F408 L409 I410 | G402-G406 WeakPolarHBondContact O-CA 3.46Å; G402-G406 PolarHBondContact O-N 2.93Å; I403-G406 PolarHBondContact O-N 3.33Å; I404-G406 VanDerWaalsContact C-N 3.34Å; I404-G406 PolarHBondContact O-N 3.05Å; G406-F408 VanDerWaalsContact C-N 3.32Å; G406-F408 PolarHBondContact O-N 2.8Å; G406-L409 PolarHBondContact O-N 3.07Å; G406-I410 VanDerWaalsContact O-CB 3.23Å; G406-I410 WeakPolarHBondContact O-CB 3.33Å; G406-I410 WeakPolarHBondContact O-CD1 3.31Å; G406-I410 VanDerWaalsContact O-CG1 3.25Å; G406-I410 WeakPolarHBondContact O-CG1 3.22Å; G406-I410 PolarHBondContact O-N 2.92Å |
| 407 | I | 74 | Confident | 70.2 | Confident | 99 Ų | 99 | 86.1 Ų | 86.1 | 51% | 0.508 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63 | -40.3 | 174 | -69 | 165.6 | 0 | 0 | 0 | 110.6 | I403 I404 I410 T411 | I403-I407 HydrophobicContact CG2-CD1 3.77Å; I403-I407 HydrophobicContact CG2-CG1 4.45Å; I403-I407 WeakPolarHBondContact O-CB 3.49Å; I403-I407 WeakPolarHBondContact O-CD1 3.28Å; I403-I407 VanDerWaalsContact O-CG1 3.32Å; I403-I407 WeakPolarHBondContact O-CG1 3.47Å; I403-I407 PolarHBondContact O-N 3.1Å; I404-I407 PolarHBondContact O-N 3.34Å; I407-I410 PolarHBondContact O-N 2.93Å; I407-T411 HydrophobicContact CG2-CG2 4.41Å; I407-T411 VanDerWaalsContact O-CB 3.3Å; I407-T411 WeakPolarHBondContact O-CB 3.27Å; I407-T411 VanDerWaalsContact O-CG2 3.32Å; I407-T411 WeakPolarHBondContact O-CG2 3.34Å; I407-T411 PolarHBondContact O-N 2.75Å; I407-T411 PolarHBondContact O-OG1 2.79Å |
| 408 | F | 72.2 | Confident | 71.3 | Confident | 141 Ų | 141 | 88 Ų | 88 | 62% | 0.618 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.1 | -38.4 | 177.3 | -150.7 | -88.6 | 0 | 0 | 0 | 111.9 | I404 L405 G406 T411 L412 | I404-F408 WeakPolarHBondContact O-CB 3.25Å; I404-F408 PolarHBondContact O-N 3.33Å; L405-F408 PolarHBondContact O-N 3.16Å; G406-F408 VanDerWaalsContact C-N 3.32Å; G406-F408 PolarHBondContact O-N 2.8Å; F408-T411 WeakPolarHBondContact CA-OG1 3.19Å; F408-T411 PolarHBondContact O-OG1 3.04Å; F408-T411 VanDerWaalsContact O-OG1 3.08Å; F408-L412 VanDerWaalsContact O-CB 3.29Å; F408-L412 WeakPolarHBondContact O-CB 3.43Å; F408-L412 PolarHBondContact O-N 3Å |
| 409 | L | 76.7 | Confident | 72.1 | Confident | 110.5 Ų | 110.5 | 94.3 Ų | 94.3 | 58% | 0.579 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -72.3 | -38.5 | 176.6 | -159.7 | 106.9 | 0 | 0 | 0 | 111.8 | L405 G406 L412 L413 | L405-L409 WeakPolarHBondContact O-CB 3.4Å; L405-L409 PolarHBondContact O-N 2.88Å; G406-L409 PolarHBondContact O-N 3.07Å; L409-L412 PolarHBondContact O-N 3.27Å; L409-L413 HydrophobicContact CD2-CD1 4.17Å; L409-L413 WeakPolarHBondContact O-CB 3.33Å; L409-L413 VanDerWaalsContact O-CG 3.29Å; L409-L413 WeakPolarHBondContact O-CG 3.28Å; L409-L413 PolarHBondContact O-N 3.47Å |
| 410 | I | 74.3 | Confident | 72.9 | Confident | 90 Ų | 90 | 96.2 Ų | 96.2 | 46% | 0.462 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.3 | -41.6 | 174.2 | -71.2 | 165.8 | 0 | 0 | 0 | 110.7 | G406 I407 L413 L414 | G406-I410 VanDerWaalsContact O-CB 3.23Å; G406-I410 WeakPolarHBondContact O-CB 3.33Å; G406-I410 WeakPolarHBondContact O-CD1 3.31Å; G406-I410 VanDerWaalsContact O-CG1 3.25Å; G406-I410 WeakPolarHBondContact O-CG1 3.22Å; G406-I410 PolarHBondContact O-N 2.92Å; I407-I410 PolarHBondContact O-N 2.93Å; I410-L413 PolarHBondContact O-N 2.94Å; I410-L414 HydrophobicContact CG2-CD1 3.98Å; I410-L414 VanDerWaalsContact O-CB 3.3Å; I410-L414 WeakPolarHBondContact O-CB 3.33Å; I410-L414 VanDerWaalsContact O-CG 3.24Å; I410-L414 WeakPolarHBondContact O-CG 3.47Å; I410-L414 PolarHBondContact O-N 3.18Å |
| 411 | T | 74.7 | Confident | 73.3 | Confident | 61.5 Ų | 61.5 | 98.1 Ų | 98.1 | 38% | 0.377 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.8 | -34.2 | 175.7 | 50.5 | 0 | 0 | 0 | 0 | 112.3 | I407 F408 L414 L415 | I407-T411 HydrophobicContact CG2-CG2 4.41Å; I407-T411 VanDerWaalsContact O-CB 3.3Å; I407-T411 WeakPolarHBondContact O-CB 3.27Å; I407-T411 VanDerWaalsContact O-CG2 3.32Å; I407-T411 WeakPolarHBondContact O-CG2 3.34Å; I407-T411 PolarHBondContact O-N 2.75Å; I407-T411 PolarHBondContact O-OG1 2.79Å; F408-T411 WeakPolarHBondContact CA-OG1 3.19Å; F408-T411 PolarHBondContact O-OG1 3.04Å; F408-T411 VanDerWaalsContact O-OG1 3.08Å; T411-L414 PolarHBondContact O-N 3.01Å; T411-L415 VanDerWaalsContact O-CB 3.25Å; T411-L415 WeakPolarHBondContact O-CB 2.99Å; T411-L415 VanDerWaalsContact O-CG 3.26Å; T411-L415 WeakPolarHBondContact O-CG 3.41Å; T411-L415 PolarHBondContact O-N 3.13Å |
| 412 | L | 78.2 | Confident | 73.3 | Confident | 87.5 Ų | 87.5 | 95.9 Ų | 95.9 | 46% | 0.458 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 170 | -166.2 | 80.3 | 0 | 0 | 0 | 111.2 | F408 L409 L415 L416 | F408-L412 VanDerWaalsContact O-CB 3.29Å; F408-L412 WeakPolarHBondContact O-CB 3.43Å; F408-L412 PolarHBondContact O-N 3Å; L409-L412 PolarHBondContact O-N 3.27Å; L412-L415 CarbonylContact O-C 3.59Å; L412-L415 PolarHBondContact O-N 3.12Å; L412-L416 HydrophobicContact CD2-CD1 4.47Å; L412-L416 HydrophobicContact CG-CD1 4.11Å; L412-L416 HydrophobicContact CG-CG 4.49Å; L412-L416 VanDerWaalsContact O-CB 3.26Å; L412-L416 WeakPolarHBondContact O-CB 3.46Å; L412-L416 VanDerWaalsContact O-CG 3.26Å; L412-L416 WeakPolarHBondContact O-CG 3.25Å; L412-L416 PolarHBondContact O-N 3.21Å |
| 413 | L | 75 | Confident | 73.4 | Confident | 93 Ų | 93 | 97.1 Ų | 97.1 | 49% | 0.487 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 173.6 | -82 | 165.6 | 0 | 0 | 0 | 111.6 | L409 I410 L415 L416 V417 | L409-L413 HydrophobicContact CD2-CD1 4.17Å; L409-L413 WeakPolarHBondContact O-CB 3.33Å; L409-L413 VanDerWaalsContact O-CG 3.29Å; L409-L413 WeakPolarHBondContact O-CG 3.28Å; L409-L413 PolarHBondContact O-N 3.47Å; I410-L413 PolarHBondContact O-N 2.94Å; L413-L415 VanDerWaalsContact C-N 3.34Å; L413-L415 PolarHBondContact O-N 2.85Å; L413-L416 CarbonylContact O-C 3.5Å; L413-L416 PolarHBondContact O-N 2.96Å; L413-V417 WeakPolarHBondContact O-CB 3.33Å; L413-V417 WeakPolarHBondContact O-CG2 3.39Å; L413-V417 PolarHBondContact O-N 3.23Å |
| 414 | L | 74.7 | Confident | 73.2 | Confident | 100.5 Ų | 100.5 | 95.4 Ų | 95.4 | 53% | 0.526 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.5 | -38.4 | 174.1 | -75.8 | 167.2 | 0 | 0 | 0 | 111.7 | I410 T411 L416 V417 V418 | I410-L414 HydrophobicContact CG2-CD1 3.98Å; I410-L414 VanDerWaalsContact O-CB 3.3Å; I410-L414 WeakPolarHBondContact O-CB 3.33Å; I410-L414 VanDerWaalsContact O-CG 3.24Å; I410-L414 WeakPolarHBondContact O-CG 3.47Å; I410-L414 PolarHBondContact O-N 3.18Å; T411-L414 PolarHBondContact O-N 3.01Å; L414-L416 VanDerWaalsContact C-N 3.35Å; L414-L416 PolarHBondContact O-N 3.5Å; L414-V417 PolarHBondContact O-N 2.87Å; L414-V418 WeakPolarHBondContact O-CA 3.41Å; L414-V418 WeakPolarHBondContact O-CB 3.24Å; L414-V418 VanDerWaalsContact O-CG2 3.28Å; L414-V418 WeakPolarHBondContact O-CG2 3.24Å; L414-V418 PolarHBondContact O-N 2.89Å |
| 415 | L | 76.9 | Confident | 72.8 | Confident | 106.5 Ų | 106.5 | 97 Ų | 97 | 56% | 0.558 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -69.6 | -33.8 | 174.4 | -75.7 | 168.6 | 0 | 0 | 0 | 112.5 | T411 L412 L413 R419 | T411-L415 VanDerWaalsContact O-CB 3.25Å; T411-L415 WeakPolarHBondContact O-CB 2.99Å; T411-L415 VanDerWaalsContact O-CG 3.26Å; T411-L415 WeakPolarHBondContact O-CG 3.41Å; T411-L415 PolarHBondContact O-N 3.13Å; L412-L415 CarbonylContact O-C 3.59Å; L412-L415 PolarHBondContact O-N 3.12Å; L413-L415 VanDerWaalsContact C-N 3.34Å; L413-L415 PolarHBondContact O-N 2.85Å; L415-R419 VanDerWaalsContact O-CB 3.3Å; L415-R419 WeakPolarHBondContact O-CB 3.42Å; L415-R419 VanDerWaalsContact O-CG 3.25Å; L415-R419 WeakPolarHBondContact O-CG 3.38Å; L415-R419 PolarHBondContact O-N 3.34Å |
| 416 | L | 76.9 | Confident | 72.1 | Confident | 94 Ų | 94 | 101 Ų | 101 | 49% | 0.492 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.2 | -37.1 | 172.5 | -74.5 | 170.6 | 0 | 0 | 0 | 111.7 | L412 L413 L414 R419 Y420 | L412-L416 HydrophobicContact CD2-CD1 4.47Å; L412-L416 HydrophobicContact CG-CD1 4.11Å; L412-L416 HydrophobicContact CG-CG 4.49Å; L412-L416 VanDerWaalsContact O-CB 3.26Å; L412-L416 WeakPolarHBondContact O-CB 3.46Å; L412-L416 VanDerWaalsContact O-CG 3.26Å; L412-L416 WeakPolarHBondContact O-CG 3.25Å; L412-L416 PolarHBondContact O-N 3.21Å; L413-L416 CarbonylContact O-C 3.5Å; L413-L416 PolarHBondContact O-N 2.96Å; L414-L416 VanDerWaalsContact C-N 3.35Å; L414-L416 PolarHBondContact O-N 3.5Å; L416-R419 PolarHBondContact O-N 2.82Å; L416-Y420 WeakPolarHBondContact O-CA 3.22Å; L416-Y420 WeakPolarHBondContact O-CB 3.35Å; L416-Y420 PolarHBondContact O-N 3.11Å |
| 417 | V | 74 | Confident | 71.5 | Confident | 66 Ų | 66 | 107.3 Ų | 107.3 | 40% | 0.4 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.4 | -39.4 | 174.6 | 168.1 | 0 | 0 | 0 | 0 | 110.9 | L413 L414 Y420 F421 | L413-V417 WeakPolarHBondContact O-CB 3.33Å; L413-V417 WeakPolarHBondContact O-CG2 3.39Å; L413-V417 PolarHBondContact O-N 3.23Å; L414-V417 PolarHBondContact O-N 2.87Å; V417-Y420 WeakPolarHBondContact O-CB 3.45Å; V417-Y420 PolarHBondContact O-N 3.05Å; V417-F421 HydrophobicContact CG1-CD2 3.6Å; V417-F421 HydrophobicContact CG1-CE2 3.63Å; V417-F421 VanDerWaalsContact O-CB 3.3Å; V417-F421 WeakPolarHBondContact O-CB 3.26Å; V417-F421 VanDerWaalsContact O-CD2 3.26Å; V417-F421 WeakPolarHBondContact O-CD2 3.26Å; V417-F421 PolarHBondContact O-N 3.39Å |
| 418 | V | 74.8 | Confident | 70.7 | Confident | 92 Ų | 92 | 106.6 Ų | 106.6 | 56% | 0.558 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.4 | -38.5 | 172.1 | 168.2 | 0 | 0 | 0 | 0 | 110.9 | L414 Y420 F421 A422 | L414-V418 WeakPolarHBondContact O-CA 3.41Å; L414-V418 WeakPolarHBondContact O-CB 3.24Å; L414-V418 VanDerWaalsContact O-CG2 3.28Å; L414-V418 WeakPolarHBondContact O-CG2 3.24Å; L414-V418 PolarHBondContact O-N 2.89Å; V418-Y420 VanDerWaalsContact C-N 3.34Å; V418-F421 PolarHBondContact O-N 2.86Å; V418-A422 WeakPolarHBondContact O-CA 3.48Å; V418-A422 WeakPolarHBondContact O-CB 3.27Å; V418-A422 PolarHBondContact O-N 3.49Å |
| 419 | R | 73.9 | Confident | 69.9 | Low | 188 Ų | 188 | 104.1 Ų | 104.1 | 71% | 0.709 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.1 | -37.3 | 170.9 | -79.9 | 177 | 172.2 | -173.8 | -1.4 | 112.2 | L415 L416 S423 | L415-R419 VanDerWaalsContact O-CB 3.3Å; L415-R419 WeakPolarHBondContact O-CB 3.42Å; L415-R419 VanDerWaalsContact O-CG 3.25Å; L415-R419 WeakPolarHBondContact O-CG 3.38Å; L415-R419 PolarHBondContact O-N 3.34Å; L416-R419 PolarHBondContact O-N 2.82Å; R419-S423 WeakPolarHBondContact O-CA 3.28Å; R419-S423 VanDerWaalsContact O-CB 3.3Å; R419-S423 WeakPolarHBondContact O-CB 3.45Å; R419-S423 PolarHBondContact O-N 2.94Å |
| 420 | Y | 74.9 | Confident | 68.7 | Low | 136.5 Ų | 136.5 | 105.9 Ų | 105.9 | 54% | 0.535 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.1 | -52.1 | 175 | -179.8 | -96.1 | 0 | 0 | 0 | 110.3 | L416 V417 V418 A422 S423 Q424 | L416-Y420 WeakPolarHBondContact O-CA 3.22Å; L416-Y420 WeakPolarHBondContact O-CB 3.35Å; L416-Y420 PolarHBondContact O-N 3.11Å; V417-Y420 WeakPolarHBondContact O-CB 3.45Å; V417-Y420 PolarHBondContact O-N 3.05Å; V418-Y420 VanDerWaalsContact C-N 3.34Å; Y420-A422 PolarHBondContact O-N 3.14Å; Y420-S423 CarbonylContact O-C 3.52Å; Y420-S423 WeakPolarHBondContact O-CA 3.42Å; Y420-S423 WeakPolarHBondContact O-CB 3.45Å; Y420-S423 PolarHBondContact O-N 3.31Å; Y420-S423 VanDerWaalsContact O-N 3.09Å; Y420-Q424 HydrophobicContact CE1-CB 4.47Å; Y420-Q424 VanDerWaalsContact CE1-OE1 3.26Å; Y420-Q424 WeakPolarHBondContact O-CA 3.38Å; Y420-Q424 WeakPolarHBondContact O-CB 3.28Å; Y420-Q424 PolarHBondContact O-N 3.15Å; Y420-Q424 PolarHBondContact OH-NE2 3.08Å; Y420-Q424 PolarHBondContact OH-OE1 3.18Å |
| 421 | F | 70.4 | Confident | 67.7 | Low | 128 Ų | 128 | 106.8 Ų | 106.8 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.9 | -28.5 | 176.3 | -76.4 | -59.9 | 0 | 0 | 0 | 113.7 | V417 V418 S423 Q424 K425 | V417-F421 HydrophobicContact CG1-CD2 3.6Å; V417-F421 HydrophobicContact CG1-CE2 3.63Å; V417-F421 VanDerWaalsContact O-CB 3.3Å; V417-F421 WeakPolarHBondContact O-CB 3.26Å; V417-F421 VanDerWaalsContact O-CD2 3.26Å; V417-F421 WeakPolarHBondContact O-CD2 3.26Å; V417-F421 PolarHBondContact O-N 3.39Å; V418-F421 PolarHBondContact O-N 2.86Å; F421-S423 VanDerWaalsContact C-N 3.33Å; F421-Q424 PolarHBondContact O-N 3.48Å; F421-K425 WeakPolarHBondContact O-CA 3.4Å; F421-K425 VanDerWaalsContact O-CB 3.31Å; F421-K425 WeakPolarHBondContact O-CB 3.25Å; F421-K425 PolarHBondContact O-N 3.1Å |
| 422 | A | 67.5 | Low | 66.6 | Low | 45.5 Ų | 45.5 | 106.5 Ų | 106.5 | 38% | 0.376 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -73 | -31.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V418 Y420 R426 | V418-A422 WeakPolarHBondContact O-CA 3.48Å; V418-A422 WeakPolarHBondContact O-CB 3.27Å; V418-A422 PolarHBondContact O-N 3.49Å; Y420-A422 PolarHBondContact O-N 3.14Å; A422-R426 WeakPolarHBondContact O-CB 3.23Å; A422-R426 VanDerWaalsContact O-CG 3.28Å; A422-R426 WeakPolarHBondContact O-CG 3.28Å; A422-R426 PolarHBondContact O-N 2.85Å; A422-R426 VanDerWaalsContact O-N 3.14Å |
| 423 | S | 68.7 | Low | 65.1 | Low | 66.5 Ų | 66.5 | 109.8 Ų | 109.8 | 47% | 0.465 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -77.6 | -35.5 | 173.4 | -169.6 | 0 | 0 | 0 | 0 | 112.2 | R419 Y420 F421 R426 R427 | R419-S423 WeakPolarHBondContact O-CA 3.28Å; R419-S423 VanDerWaalsContact O-CB 3.3Å; R419-S423 WeakPolarHBondContact O-CB 3.45Å; R419-S423 PolarHBondContact O-N 2.94Å; Y420-S423 CarbonylContact O-C 3.52Å; Y420-S423 WeakPolarHBondContact O-CA 3.42Å; Y420-S423 WeakPolarHBondContact O-CB 3.45Å; Y420-S423 PolarHBondContact O-N 3.31Å; Y420-S423 VanDerWaalsContact O-N 3.09Å; F421-S423 VanDerWaalsContact C-N 3.33Å; S423-R426 CarbonylContact O-C 3.15Å; S423-R426 PolarHBondContact O-N 3.37Å; S423-R427 WeakPolarHBondContact O-CB 3.38Å; S423-R427 WeakPolarHBondContact O-CG 3.37Å; S423-R427 PolarHBondContact O-N 3.21Å; S423-R427 VanDerWaalsContact O-N 3.11Å |
| 424 | Q | 64.5 | Low | 63.9 | Low | 66 Ų | 66 | 112.4 Ų | 112.4 | 31% | 0.308 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -70.3 | -42.5 | 173.5 | -160.4 | 133.1 | 6.5 | 0 | 0 | 109.6 | Y420 F421 R426 R427 N428 | Y420-Q424 HydrophobicContact CE1-CB 4.47Å; Y420-Q424 VanDerWaalsContact CE1-OE1 3.26Å; Y420-Q424 WeakPolarHBondContact O-CA 3.38Å; Y420-Q424 WeakPolarHBondContact O-CB 3.28Å; Y420-Q424 PolarHBondContact O-N 3.15Å; Y420-Q424 PolarHBondContact OH-NE2 3.08Å; Y420-Q424 PolarHBondContact OH-OE1 3.18Å; F421-Q424 PolarHBondContact O-N 3.48Å; Q424-R426 VanDerWaalsContact C-N 3.35Å; Q424-R426 PolarHBondContact O-N 3.49Å; Q424-R427 CarbonylContact O-C 3.02Å; Q424-R427 WeakPolarHBondContact O-CA 3.43Å; Q424-R427 WeakPolarHBondContact O-CB 3.05Å; Q424-R427 PolarHBondContact O-N 2.9Å; Q424-R427 VanDerWaalsContact O-N 3.11Å; Q424-N428 WeakPolarHBondContact CG-OD1 3.22Å; Q424-N428 VanDerWaalsContact O-CB 3.24Å; Q424-N428 WeakPolarHBondContact O-CB 3.43Å; Q424-N428 PolarHBondContact O-N 3.11Å; Q424-N428 PolarHBondContact O-OD1 3.38Å |
| 425 | K | 62.9 | Low | 62.6 | Low | 129.5 Ų | 129.5 | 114 Ų | 114 | 56% | 0.563 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.5 | -42.3 | 169.8 | -177.5 | 162 | -177 | 173.4 | 0 | 111.5 | F421 R427 N428 D429 | F421-K425 WeakPolarHBondContact O-CA 3.4Å; F421-K425 VanDerWaalsContact O-CB 3.31Å; F421-K425 WeakPolarHBondContact O-CB 3.25Å; F421-K425 PolarHBondContact O-N 3.1Å; K425-R427 PolarHBondContact O-N 2.94Å; K425-R427 VanDerWaalsContact O-N 3.14Å; K425-N428 PolarHBondContact O-N 3.35Å; K425-D429 WeakPolarHBondContact CE-OD1 3.14Å; K425-D429 WeakPolarHBondContact CE-OD2 3.49Å; K425-D429 VanDerWaalsContact CG-OD2 3.25Å; K425-D429 WeakPolarHBondContact CG-OD2 3.13Å; K425-D429 WeakPolarHBondContact O-CA 2.9Å; K425-D429 VanDerWaalsContact O-CB 3.22Å; K425-D429 WeakPolarHBondContact O-CB 3.25Å; K425-D429 PolarHBondContact O-N 3.32Å |
| 426 | R | 57.9 | Low | 61.1 | Low | 191.5 Ų | 191.5 | 117.2 Ų | 117.2 | 72% | 0.723 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -68.8 | -7.7 | 171.5 | -73.1 | 176.8 | -172.8 | -165.9 | 3.2 | 115.2 | A422 S423 Q424 K430 | A422-R426 WeakPolarHBondContact O-CB 3.23Å; A422-R426 VanDerWaalsContact O-CG 3.28Å; A422-R426 WeakPolarHBondContact O-CG 3.28Å; A422-R426 PolarHBondContact O-N 2.85Å; A422-R426 VanDerWaalsContact O-N 3.14Å; S423-R426 CarbonylContact O-C 3.15Å; S423-R426 PolarHBondContact O-N 3.37Å; Q424-R426 VanDerWaalsContact C-N 3.35Å; Q424-R426 PolarHBondContact O-N 3.49Å; R426-K430 WeakPolarHBondContact O-CG 3.28Å |
| 427 | R | 57.8 | Low | 59.4 | Low | 159.5 Ų | 159.5 | 123.1 Ų | 123.1 | 60% | 0.602 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -93.2 | -53.4 | 167.3 | -81.6 | -175.3 | 172 | 176.3 | -4.2 | 110.5 | S423 Q424 K425 D429 K430 E431 | S423-R427 WeakPolarHBondContact O-CB 3.38Å; S423-R427 WeakPolarHBondContact O-CG 3.37Å; S423-R427 PolarHBondContact O-N 3.21Å; S423-R427 VanDerWaalsContact O-N 3.11Å; Q424-R427 CarbonylContact O-C 3.02Å; Q424-R427 WeakPolarHBondContact O-CA 3.43Å; Q424-R427 WeakPolarHBondContact O-CB 3.05Å; Q424-R427 PolarHBondContact O-N 2.9Å; Q424-R427 VanDerWaalsContact O-N 3.11Å; K425-R427 PolarHBondContact O-N 2.94Å; K425-R427 VanDerWaalsContact O-N 3.14Å; R427-D429 VanDerWaalsContact C-N 3.31Å; R427-D429 PolarHBondContact O-N 3.14Å; R427-K430 CarbonylContact O-C 3.43Å; R427-K430 WeakPolarHBondContact O-CA 3.42Å; R427-K430 WeakPolarHBondContact O-CB 3.38Å; R427-K430 PolarHBondContact O-N 3.07Å; R427-E431 WeakPolarHBondContact CB-OE1 3.44Å; R427-E431 WeakPolarHBondContact O-CB 3.22Å; R427-E431 WeakPolarHBondContact O-CG 3.45Å; R427-E431 PolarHBondContact O-N 3.23Å |
| 428 | N | 57.4 | Low | 57.8 | Low | 85.5 Ų | 85.5 | 130.9 Ų | 130.9 | 46% | 0.457 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -57.2 | -40.2 | 175.7 | -63.6 | 31.7 | 0 | 0 | 0 | 112.4 | Q424 K425 K430 E431 A432 | Q424-N428 WeakPolarHBondContact CG-OD1 3.22Å; Q424-N428 VanDerWaalsContact O-CB 3.24Å; Q424-N428 WeakPolarHBondContact O-CB 3.43Å; Q424-N428 PolarHBondContact O-N 3.11Å; Q424-N428 PolarHBondContact O-OD1 3.38Å; K425-N428 PolarHBondContact O-N 3.35Å; N428-K430 VanDerWaalsContact C-N 3.26Å; N428-K430 PolarHBondContact O-N 3.38Å; N428-E431 PolarHBondContact O-N 2.98Å; N428-A432 WeakPolarHBondContact O-CA 3.27Å; N428-A432 VanDerWaalsContact O-CB 3.22Å; N428-A432 WeakPolarHBondContact O-CB 3.16Å; N428-A432 PolarHBondContact O-N 3.2Å |
| 429 | D | 56.3 | Low | 56 | Low | 87.5 Ų | 87.5 | 134.9 Ų | 134.9 | 47% | 0.468 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -70.9 | -14.7 | 175.3 | -64.6 | -8 | 0 | 0 | 0 | 112.5 | K425 R427 M433 | K425-D429 WeakPolarHBondContact CE-OD1 3.14Å; K425-D429 WeakPolarHBondContact CE-OD2 3.49Å; K425-D429 VanDerWaalsContact CG-OD2 3.25Å; K425-D429 WeakPolarHBondContact CG-OD2 3.13Å; K425-D429 WeakPolarHBondContact O-CA 2.9Å; K425-D429 VanDerWaalsContact O-CB 3.22Å; K425-D429 WeakPolarHBondContact O-CB 3.25Å; K425-D429 PolarHBondContact O-N 3.32Å; R427-D429 VanDerWaalsContact C-N 3.31Å; R427-D429 PolarHBondContact O-N 3.14Å; D429-M433 WeakPolarHBondContact O-CG 3.08Å |
| 430 | K | 52.1 | Low | 54.2 | Low | 149 Ų | 149 | 129.1 Ų | 129.1 | 65% | 0.648 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -90.6 | -47.4 | 170.8 | -81.2 | -173.1 | 169.7 | -161.4 | 0 | 112 | R426 R427 N428 A432 M433 E434 | R426-K430 WeakPolarHBondContact O-CG 3.28Å; R427-K430 CarbonylContact O-C 3.43Å; R427-K430 WeakPolarHBondContact O-CA 3.42Å; R427-K430 WeakPolarHBondContact O-CB 3.38Å; R427-K430 PolarHBondContact O-N 3.07Å; N428-K430 VanDerWaalsContact C-N 3.26Å; N428-K430 PolarHBondContact O-N 3.38Å; K430-A432 VanDerWaalsContact C-N 3.27Å; K430-A432 PolarHBondContact O-N 3.33Å; K430-M433 WeakPolarHBondContact O-CA 3.3Å; K430-M433 VanDerWaalsContact O-CB 3.31Å; K430-M433 WeakPolarHBondContact O-CB 3.21Å; K430-M433 PolarHBondContact O-N 3.08Å; K430-E434 PolarHBondContact O-N 3.4Å |
| 431 | E | 53.1 | Low | 52.5 | Low | 108 Ų | 108 | 127.9 Ų | 127.9 | 51% | 0.505 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -63.2 | -39.7 | 178.6 | -70.3 | 158.6 | -163.8 | 0 | 0 | 110.1 | R427 N428 M433 E434 D435 | R427-E431 WeakPolarHBondContact CB-OE1 3.44Å; R427-E431 WeakPolarHBondContact O-CB 3.22Å; R427-E431 WeakPolarHBondContact O-CG 3.45Å; R427-E431 PolarHBondContact O-N 3.23Å; N428-E431 PolarHBondContact O-N 2.98Å; E431-M433 VanDerWaalsContact C-N 3.33Å; E431-M433 PolarHBondContact O-N 2.75Å; E431-M433 VanDerWaalsContact O-N 3.13Å; E431-E434 PolarHBondContact O-N 3.31Å; E431-E434 VanDerWaalsContact O-N 3.16Å; E431-D435 PolarHBondContact O-N 3.09Å |
| 432 | A | 49.7 | Very low | 50.9 | Low | 55.5 Ų | 55.5 | 127.7 Ų | 127.7 | 46% | 0.459 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -67 | -18.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | N428 K430 E434 Q436 | N428-A432 WeakPolarHBondContact O-CA 3.27Å; N428-A432 VanDerWaalsContact O-CB 3.22Å; N428-A432 WeakPolarHBondContact O-CB 3.16Å; N428-A432 PolarHBondContact O-N 3.2Å; K430-A432 VanDerWaalsContact C-N 3.27Å; K430-A432 PolarHBondContact O-N 3.33Å; A432-E434 PolarHBondContact O-N 3.18Å; A432-Q436 WeakPolarHBondContact O-CB 3.5Å; A432-Q436 WeakPolarHBondContact O-CG 3.31Å; A432-Q436 PolarHBondContact O-N 3.21Å; A432-Q436 VanDerWaalsContact O-N 3.14Å |
| 433 | M | 47.9 | Very low | 49.4 | Very low | 157.5 Ų | 157.5 | 133.4 Ų | 133.4 | 78% | 0.776 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -83.2 | -12.9 | 171.9 | -93.8 | -163.8 | 115.9 | 0 | 0 | 113.6 | D429 K430 E431 | D429-M433 WeakPolarHBondContact O-CG 3.08Å; K430-M433 WeakPolarHBondContact O-CA 3.3Å; K430-M433 VanDerWaalsContact O-CB 3.31Å; K430-M433 WeakPolarHBondContact O-CB 3.21Å; K430-M433 PolarHBondContact O-N 3.08Å; E431-M433 VanDerWaalsContact C-N 3.33Å; E431-M433 PolarHBondContact O-N 2.75Å; E431-M433 VanDerWaalsContact O-N 3.13Å |
| 434 | E | 50.1 | Low | 47.9 | Very low | 147 Ų | 147 | 136.8 Ų | 136.8 | 69% | 0.687 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -100.3 | -34.2 | 176.1 | -68.5 | -173.4 | 101.4 | 0 | 0 | 112.5 | K430 E431 A432 Q436 R437 | K430-E434 PolarHBondContact O-N 3.4Å; E431-E434 PolarHBondContact O-N 3.31Å; E431-E434 VanDerWaalsContact O-N 3.16Å; A432-E434 PolarHBondContact O-N 3.18Å; E434-Q436 VanDerWaalsContact C-N 3.29Å; E434-Q436 PolarHBondContact O-N 3.18Å; E434-R437 WeakPolarHBondContact O-CB 3.12Å; E434-R437 PolarHBondContact O-N 2.96Å; E434-R437 VanDerWaalsContact O-N 3.09Å |
| 435 | D | 47 | Very low | 46.7 | Very low | 133.5 Ų | 133.5 | 137.1 Ų | 137.1 | 71% | 0.714 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -77.2 | -21.6 | -179.2 | -85.7 | -25.4 | 0 | 0 | 0 | 115.4 | E431 R437 R438 | E431-D435 PolarHBondContact O-N 3.09Å; D435-R437 PolarHBondContact O-N 3.39Å; D435-R438 PolarHBondContact O-N 2.64Å |
| 436 | Q | 45.2 | Very low | 45.5 | Very low | 175.5 Ų | 175.5 | 137 Ų | 137 | 82% | 0.82 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 4.8 | 173.2 | -81.2 | -160.4 | -57 | 0 | 0 | 114.3 | A432 E434 R438 | A432-Q436 WeakPolarHBondContact O-CB 3.5Å; A432-Q436 WeakPolarHBondContact O-CG 3.31Å; A432-Q436 PolarHBondContact O-N 3.21Å; A432-Q436 VanDerWaalsContact O-N 3.14Å; E434-Q436 VanDerWaalsContact C-N 3.29Å; E434-Q436 PolarHBondContact O-N 3.18Å; Q436-R438 VanDerWaalsContact C-N 3.27Å |
| 437 | R | 41.6 | Very low | 44.5 | Very low | 218 Ų | 218 | 133.9 Ų | 133.9 | 82% | 0.823 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 1.2 | 176.5 | -106.5 | 174.5 | 175.6 | 158.4 | -0.5 | 115.2 | E434 D435 | E434-R437 WeakPolarHBondContact O-CB 3.12Å; E434-R437 PolarHBondContact O-N 2.96Å; E434-R437 VanDerWaalsContact O-N 3.09Å; D435-R437 PolarHBondContact O-N 3.39Å |
| 438 | R | 40 | Very low | 43.3 | Very low | 229 Ų | 229 | 132.4 Ų | 132.4 | 86% | 0.864 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -138 | 112.5 | 178.9 | -68.4 | -174.7 | 172.3 | 172.2 | -2.4 | 113.3 | D435 Q436 | D435-R438 PolarHBondContact O-N 2.64Å; Q436-R438 VanDerWaalsContact C-N 3.27Å |
| 439 | L | 38 | Very low | 42.1 | Very low | 175 Ų | 175 | 136.2 Ų | 136.2 | 92% | 0.916 | 74% | 0.735 | S | S | * | * | trans | -86.8 | 147.8 | -176.7 | -61.9 | 87.9 | 0 | 0 | 0 | 114.2 | ||||
| 440 | G | 34.5 | Very low | 40.9 | Very low | 67 Ų | 67 | 137.6 Ų | 137.6 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | trans | 123 | 119.7 | 137.9 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 441 | S | 39.3 | Very low | 39.8 | Very low | 111.5 Ų | 111.5 | 135.5 Ų | 135.5 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | trans | 62.5 | 137.5 | 147.9 | 33.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 442 | T | 38.1 | Very low | 38.7 | Very low | 123 Ų | 123 | 142 Ų | 142 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | cis | 121.2 | 147.5 | 17.2 | 46.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 443 | M | 35.6 | Very low | 37.6 | Very low | 166 Ų | 166 | 148.1 Ų | 148.1 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | 136.9 | 154.5 | 66.6 | -91.2 | -126.7 | 177.2 | 0 | 0 | 116.9 | |||||
| 444 | T | 38.1 | Very low | 36.8 | Very low | 137.5 Ų | 137.5 | 145.2 Ų | 145.2 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | 136.3 | 150.5 | 74.1 | 22.2 | 0 | 0 | 0 | 0 | 118 | |||||
| 445 | G | 38.1 | Very low | 35.9 | Very low | 73.5 Ų | 73.5 | 144.7 Ų | 144.7 | 76% | 0.758 | 80% | 0.797 | S | S | * | * | trans | 155.9 | 129.4 | 148.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 446 | S | 37.9 | Very low | 35.4 | Very low | 126.5 Ų | 126.5 | 141.1 Ų | 141.1 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | trans | 143.5 | 173.3 | 168.5 | 3.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 447 | V | 35.9 | Very low | 34.9 | Very low | 126.5 Ų | 126.5 | 137.2 Ų | 137.2 | 77% | 0.767 | 77% | 0.774 | S | S | * | * | -159.5 | 170.9 | -64 | 79.8 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 448 | D | 33.7 | Very low | 34.4 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 68% | 0.684 | 77% | 0.773 | S | S | * | * | 131.5 | 166.9 | 80.1 | -118.4 | -4.5 | 0 | 0 | 0 | 117.3 | |||||
| 449 | Q | 31.9 | Very low | 34.3 | Very low | 165.5 Ų | 165.5 | 128.8 Ų | 128.8 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | 126.1 | 123.9 | 61.8 | -139.3 | 179.2 | 48.8 | 0 | 0 | 117.1 | |||||
| 450 | S | 32.3 | Very low | 34.4 | Very low | 117.5 Ų | 117.5 | 126 Ų | 126 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | trans | 143.2 | 149.6 | 144.7 | 62.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 451 | S | 27.9 | Very low | 34.5 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 52.3 | 98.3 | 157.7 | -134 | 0 | 0 | 0 | 0 | 121.9 | ||
| 452 | W | 29.2 | Very low | 34.4 | Very low | 245.5 Ų | 245.5 | 127.7 Ų | 127.7 | 93% | 0.93 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 66.2 | 123.4 | 141.6 | -69.6 | 43.7 | 0 | 0 | 0 | 118 | ||
| 453 | E | 28 | Very low | 34.4 | Very low | 184.5 Ų | 184.5 | 127.1 Ų | 127.1 | 86% | 0.862 | 72% | 0.721 | S | S | * | * | trans | 59.6 | 80.5 | 160.4 | -59.2 | -154.6 | 166.5 | 0 | 0 | 120 | ||||
| 454 | S | 29.6 | Very low | 34.4 | Very low | 96 Ų | 96 | 128 Ų | 128 | 67% | 0.671 | 72% | 0.715 | S | S | * | * | trans | 141 | 78.7 | 142.8 | -166.6 | 0 | 0 | 0 | 0 | 116.3 | S456 R460 | S454-S456 PolarHBondContact O-N 3Å; S454-R460 PolarHBondContact O-NH1 3.01Å; S454-R460 PolarHBondContact O-NH2 3.33Å; S454-R460 PolarHBondContact OG-NH2 2.76Å | ||
| 455 | T | 31.6 | Very low | 34.2 | Very low | 137 Ų | 137 | 129.5 Ų | 129.5 | 84% | 0.84 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -87.5 | 73.5 | 142.2 | 42.2 | 0 | 0 | 0 | 0 | 113.5 | R460 | T455-R460 PolarHBondContact O-NH2 2.65Š|
| 456 | S | 36.2 | Very low | 34.2 | Very low | 58 Ų | 58 | 132.5 Ų | 132.5 | 41% | 0.406 | 71% | 0.707 | S | S | . | * | S | Bend | trans | -134.1 | 29.4 | 163.5 | 70.6 | 0 | 0 | 0 | 0 | 113.8 | S454 C458 M459 R460 | S454-S456 PolarHBondContact O-N 3Å; S456-C458 PolarHBondContact O-N 3.25Å; S456-M459 PolarHBondContact O-N 3.45Å; S456-R460 VanDerWaalsContact CB-NH2 3.3Å; S456-R460 WeakPolarHBondContact O-CB 3.27Å; S456-R460 WeakPolarHBondContact O-CG 3.33Å; S456-R460 PolarHBondContact O-N 3Å; S456-R460 PolarHBondContact O-NE 3.07Å; S456-R460 PolarHBondContact O-NH2 2.77Å; S456-R460 VanDerWaalsContact O-NH2 3.07Å; S456-R460 PolarHBondContact OG-NE 3.18Å; S456-R460 PolarHBondContact OG-NH2 3.04Å; S456-R460 VanDerWaalsContact OG-NH2 3.1Å |
| 457 | S | 35.3 | Very low | 34.2 | Very low | 93.5 Ų | 93.5 | 133.2 Ų | 133.2 | 65% | 0.654 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -89.3 | -21.7 | -172.5 | -163.6 | 0 | 0 | 0 | 0 | 115.8 | ||
| 458 | C | 32.1 | Very low | 34.1 | Very low | 116.5 Ų | 116.5 | 133.5 Ų | 133.5 | 79% | 0.787 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -83.3 | -49.4 | 177.9 | -156.4 | 0 | 0 | 0 | 0 | 112.4 | S456 R460 K461 | S456-C458 PolarHBondContact O-N 3.25Å; C458-R460 VanDerWaalsContact C-N 3.31Å; C458-R460 PolarHBondContact O-N 3.19Å; C458-K461 PolarHBondContact O-N 2.76Å; C458-K461 VanDerWaalsContact O-N 3.12Å |
| 459 | M | 36.8 | Very low | 34.2 | Very low | 152.5 Ų | 152.5 | 132.8 Ų | 132.8 | 75% | 0.751 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -68.4 | -30.7 | 177.8 | -108.1 | 178.3 | -179.2 | 0 | 0 | 112.7 | S456 K461 A462 L463 | S456-M459 PolarHBondContact O-N 3.45Å; M459-K461 PolarHBondContact O-N 3.32Å; M459-K461 VanDerWaalsContact O-N 3.15Å; M459-A462 PolarHBondContact O-N 3.17Å; M459-L463 WeakPolarHBondContact O-CB 3.34Å; M459-L463 PolarHBondContact O-N 3.34Å |
| 460 | R | 39.7 | Very low | 34.4 | Very low | 116 Ų | 116 | 129.1 Ų | 129.1 | 44% | 0.438 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -70.1 | -6.3 | 174.7 | -71.9 | -172 | -107.1 | -160.3 | -2.7 | 114.4 | S454 T455 S456 C458 R464 | S454-R460 PolarHBondContact O-NH1 3.01Å; S454-R460 PolarHBondContact O-NH2 3.33Å; S454-R460 PolarHBondContact OG-NH2 2.76Å; T455-R460 PolarHBondContact O-NH2 2.65Å; S456-R460 VanDerWaalsContact CB-NH2 3.3Å; S456-R460 WeakPolarHBondContact O-CB 3.27Å; S456-R460 WeakPolarHBondContact O-CG 3.33Å; S456-R460 PolarHBondContact O-N 3Å; S456-R460 PolarHBondContact O-NE 3.07Å; S456-R460 PolarHBondContact O-NH2 2.77Å; S456-R460 VanDerWaalsContact O-NH2 3.07Å; S456-R460 PolarHBondContact OG-NE 3.18Å; S456-R460 PolarHBondContact OG-NH2 3.04Å; S456-R460 VanDerWaalsContact OG-NH2 3.1Å; C458-R460 VanDerWaalsContact C-N 3.31Å; C458-R460 PolarHBondContact O-N 3.19Å; R460-R464 WeakPolarHBondContact O-CB 3.24Å; R460-R464 WeakPolarHBondContact O-CD 3.18Å; R460-R464 WeakPolarHBondContact O-CG 3.33Å; R460-R464 PolarHBondContact O-N 3.29Å; R460-R464 PolarHBondContact O-NE 2.8Å; R460-R464 PolarHBondContact O-NH2 3.08Å |
| 461 | K | 36.8 | Very low | 34.9 | Very low | 158 Ų | 158 | 129.5 Ų | 129.5 | 69% | 0.687 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -89.2 | -39.3 | 166.1 | -76.9 | -176 | 176.4 | -178.8 | 0 | 112.2 | C458 M459 L463 R464 F465 | C458-K461 PolarHBondContact O-N 2.76Å; C458-K461 VanDerWaalsContact O-N 3.12Å; M459-K461 PolarHBondContact O-N 3.32Å; M459-K461 VanDerWaalsContact O-N 3.15Å; K461-L463 VanDerWaalsContact C-N 3.32Å; K461-L463 PolarHBondContact O-N 2.96Å; K461-R464 PolarHBondContact O-N 3.34Å; K461-R464 VanDerWaalsContact O-N 3.1Å; K461-F465 PolarHBondContact O-N 2.99Å |
| 462 | A | 36.7 | Very low | 35.4 | Very low | 57 Ų | 57 | 129 Ų | 129 | 47% | 0.471 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -65 | -43.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | M459 R464 F465 M466 | M459-A462 PolarHBondContact O-N 3.17Å; A462-R464 PolarHBondContact O-N 2.59Å; A462-F465 CarbonylContact O-C 3.39Å; A462-F465 WeakPolarHBondContact O-CA 3.19Å; A462-F465 WeakPolarHBondContact O-CB 3.43Å; A462-F465 PolarHBondContact O-N 2.94Å; A462-M466 PolarHBondContact O-N 3.4Å |
| 463 | L | 39.4 | Very low | 35.7 | Very low | 111.5 Ų | 111.5 | 126.3 Ų | 126.3 | 58% | 0.584 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -70.2 | -24.9 | -179.7 | -135.3 | 73.5 | 0 | 0 | 0 | 113.6 | M459 K461 F465 M466 H467 | M459-L463 WeakPolarHBondContact O-CB 3.34Å; M459-L463 PolarHBondContact O-N 3.34Å; K461-L463 VanDerWaalsContact C-N 3.32Å; K461-L463 PolarHBondContact O-N 2.96Å; L463-F465 PolarHBondContact O-N 2.79Å; L463-M466 HydrophobicContact CD1-CE 4.46Å; L463-M466 PolarHBondContact O-N 3.28Å; L463-H467 WeakPolarHBondContact O-CA 3.34Å; L463-H467 WeakPolarHBondContact O-CB 3.31Å; L463-H467 PolarHBondContact O-N 2.76Å |
| 464 | R | 34.8 | Very low | 36.4 | Very low | 183 Ų | 183 | 119.7 Ų | 119.7 | 69% | 0.691 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -78.7 | -21.9 | 171.3 | -82.5 | 178.5 | -129.4 | -174.1 | -3 | 113.1 | R460 K461 A462 H467 | R460-R464 WeakPolarHBondContact O-CB 3.24Å; R460-R464 WeakPolarHBondContact O-CD 3.18Å; R460-R464 WeakPolarHBondContact O-CG 3.33Å; R460-R464 PolarHBondContact O-N 3.29Å; R460-R464 PolarHBondContact O-NE 2.8Å; R460-R464 PolarHBondContact O-NH2 3.08Å; K461-R464 PolarHBondContact O-N 3.34Å; K461-R464 VanDerWaalsContact O-N 3.1Å; A462-R464 PolarHBondContact O-N 2.59Å; R464-H467 PolarHBondContact O-N 3.03Å |
| 465 | F | 35.5 | Very low | 37.1 | Very low | 169 Ų | 169 | 118 Ų | 118 | 74% | 0.741 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -81.8 | -29.4 | 174.6 | -146.6 | -99.2 | 0 | 0 | 0 | 112.7 | K461 A462 L463 H467 N468 | K461-F465 PolarHBondContact O-N 2.99Å; A462-F465 CarbonylContact O-C 3.39Å; A462-F465 WeakPolarHBondContact O-CA 3.19Å; A462-F465 WeakPolarHBondContact O-CB 3.43Å; A462-F465 PolarHBondContact O-N 2.94Å; L463-F465 PolarHBondContact O-N 2.79Å; F465-H467 PolarHBondContact O-N 2.98Å; F465-H467 VanDerWaalsContact O-N 3.12Å; F465-N468 PolarHBondContact O-N 2.75Å |
| 466 | M | 36.7 | Very low | 37.6 | Very low | 137.5 Ų | 137.5 | 117.2 Ų | 117.2 | 68% | 0.677 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -15.2 | 175.6 | -67.6 | -155 | -68.2 | 0 | 0 | 114.9 | A462 L463 N468 L469 | A462-M466 PolarHBondContact O-N 3.4Å; L463-M466 HydrophobicContact CD1-CE 4.46Å; L463-M466 PolarHBondContact O-N 3.28Å; M466-N468 VanDerWaalsContact C-N 3.33Å; M466-L469 VanDerWaalsContact O-CB 3.32Å; M466-L469 WeakPolarHBondContact O-CB 2.87Å; M466-L469 PolarHBondContact O-N 2.95Å; M466-L469 VanDerWaalsContact O-N 3.11Å |
| 467 | H | 38.2 | Very low | 38.3 | Very low | 141 Ų | 141 | 119 Ų | 119 | 65% | 0.653 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -12.8 | 177.8 | -152.6 | -78.6 | 0 | 0 | 0 | 113.5 | L463 R464 F465 | L463-H467 WeakPolarHBondContact O-CA 3.34Å; L463-H467 WeakPolarHBondContact O-CB 3.31Å; L463-H467 PolarHBondContact O-N 2.76Å; R464-H467 PolarHBondContact O-N 3.03Å; F465-H467 PolarHBondContact O-N 2.98Å; F465-H467 VanDerWaalsContact O-N 3.12Å |
| 468 | N | 34.6 | Very low | 39 | Very low | 133.5 Ų | 133.5 | 116.1 Ų | 116.1 | 71% | 0.714 | 61% | 0.614 | S | S | * | * | trans | -99.4 | 3.2 | 176.4 | -80.5 | 6.4 | 0 | 0 | 0 | 114.2 | F465 M466 S470 | F465-N468 PolarHBondContact O-N 2.75Å; M466-N468 VanDerWaalsContact C-N 3.33Å; N468-S470 VanDerWaalsContact C-N 3.32Å; N468-S470 PolarHBondContact O-N 3.14Å | ||
| 469 | L | 34.4 | Very low | 39.9 | Very low | 112.5 Ų | 112.5 | 114.4 Ų | 114.4 | 59% | 0.589 | 60% | 0.6 | S | S | * | * | trans | -85.7 | 58.3 | 169 | -109.5 | 73.1 | 0 | 0 | 0 | 111.4 | M466 I471 | M466-L469 VanDerWaalsContact O-CB 3.32Å; M466-L469 WeakPolarHBondContact O-CB 2.87Å; M466-L469 PolarHBondContact O-N 2.95Å; M466-L469 VanDerWaalsContact O-N 3.11Å; L469-I471 HydrophobicContact CD1-CD1 4.49Å; L469-I471 HydrophobicContact CG-CD1 4.02Å; L469-I471 HydrophobicContact CG-CG1 4.45Å; L469-I471 PolarHBondContact O-N 3.11Å | ||
| 470 | S | 36.6 | Very low | 40.6 | Very low | 88 Ų | 88 | 111.8 Ų | 111.8 | 62% | 0.615 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | 12.9 | 178.2 | 127.7 | 0 | 0 | 0 | 0 | 114.2 | N468 C472 R473 G474 | N468-S470 VanDerWaalsContact C-N 3.32Å; N468-S470 PolarHBondContact O-N 3.14Å; S470-C472 PolarHBondContact O-N 3.29Å; S470-C472 VanDerWaalsContact O-N 3.08Å; S470-R473 PolarHBondContact O-N 3.12Å; S470-G474 WeakPolarHBondContact O-CA 3.06Å; S470-G474 PolarHBondContact O-N 3.12Å |
| 471 | I | 42.5 | Very low | 41.3 | Very low | 125 Ų | 125 | 112.3 Ų | 112.3 | 64% | 0.641 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -26.7 | -173.7 | -62.1 | 179.3 | 0 | 0 | 0 | 112.1 | L469 A475 | L469-I471 HydrophobicContact CD1-CD1 4.49Å; L469-I471 HydrophobicContact CG-CD1 4.02Å; L469-I471 HydrophobicContact CG-CG1 4.45Å; L469-I471 PolarHBondContact O-N 3.11Å; I471-A475 WeakPolarHBondContact O-CB 3.05Å |
| 472 | C | 37.9 | Very low | 41.9 | Very low | 94 Ų | 94 | 111.9 Ų | 111.9 | 64% | 0.635 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -96.7 | -14.8 | 179.2 | -62 | 0 | 0 | 0 | 0 | 114.6 | S470 A475 L476 | S470-C472 PolarHBondContact O-N 3.29Å; S470-C472 VanDerWaalsContact O-N 3.08Å; C472-A475 PolarHBondContact O-N 2.77Å; C472-L476 WeakPolarHBondContact O-CB 3.17Å; C472-L476 PolarHBondContact O-N 3.23Å |
| 473 | R | 36.8 | Very low | 42.4 | Very low | 188.5 Ų | 188.5 | 114 Ų | 114 | 71% | 0.711 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -86.4 | -39 | 172.3 | -99.3 | -177.6 | 172.6 | 174.6 | -3.1 | 111.9 | S470 A475 L476 V477 | S470-R473 PolarHBondContact O-N 3.12Å; R473-A475 PolarHBondContact O-N 3.25Å; R473-L476 PolarHBondContact O-N 2.93Å; R473-V477 WeakPolarHBondContact O-CB 3.23Å; R473-V477 VanDerWaalsContact O-CG2 3.3Å; R473-V477 WeakPolarHBondContact O-CG2 3.42Å; R473-V477 PolarHBondContact O-N 3.4Å |
| 474 | G | 43.2 | Very low | 43 | Very low | 46 Ų | 46 | 112.1 Ų | 112.1 | 47% | 0.474 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60.9 | -31.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S470 L476 G478 | S470-G474 WeakPolarHBondContact O-CA 3.06Å; S470-G474 PolarHBondContact O-N 3.12Å; G474-L476 VanDerWaalsContact C-N 3.33Å; G474-G478 CarbonylContact O-C 3.25Å; G474-G478 VanDerWaalsContact O-CA 3.23Å; G474-G478 WeakPolarHBondContact O-CA 3.33Å; G474-G478 PolarHBondContact O-N 3Å |
| 475 | A | 43.5 | Very low | 43.8 | Very low | 59 Ų | 59 | 107.5 Ų | 107.5 | 49% | 0.488 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -74.4 | -27.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | I471 C472 R473 T479 | I471-A475 WeakPolarHBondContact O-CB 3.05Å; C472-A475 PolarHBondContact O-N 2.77Å; R473-A475 PolarHBondContact O-N 3.25Å; A475-T479 WeakPolarHBondContact O-CB 2.94Å; A475-T479 WeakPolarHBondContact O-CG2 3.28Å; A475-T479 PolarHBondContact O-N 3.23Å; A475-T479 PolarHBondContact O-OG1 3.11Å |
| 476 | L | 42.2 | Very low | 44.3 | Very low | 121 Ų | 121 | 104.1 Ų | 104.1 | 63% | 0.634 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -99.5 | -43.5 | -178.1 | -127.2 | 166.4 | 0 | 0 | 0 | 111.9 | C472 R473 G474 G478 T479 L480 | C472-L476 WeakPolarHBondContact O-CB 3.17Å; C472-L476 PolarHBondContact O-N 3.23Å; R473-L476 PolarHBondContact O-N 2.93Å; G474-L476 VanDerWaalsContact C-N 3.33Å; L476-G478 VanDerWaalsContact C-N 3.31Å; L476-T479 WeakPolarHBondContact CA-OG1 3.46Å; L476-T479 PolarHBondContact O-N 3.41Å; L476-T479 PolarHBondContact O-OG1 3.19Å; L476-L480 VanDerWaalsContact O-CB 3.28Å; L476-L480 WeakPolarHBondContact O-CB 3.39Å; L476-L480 PolarHBondContact O-N 3.28Å |
| 477 | V | 51.4 | Low | 44.7 | Very low | 95 Ų | 95 | 102.6 Ų | 102.6 | 58% | 0.576 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67 | -38.5 | 167.8 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | R473 L480 F481 | R473-V477 WeakPolarHBondContact O-CB 3.23Å; R473-V477 VanDerWaalsContact O-CG2 3.3Å; R473-V477 WeakPolarHBondContact O-CG2 3.42Å; R473-V477 PolarHBondContact O-N 3.4Å; V477-L480 CarbonylContact O-C 3.51Å; V477-L480 WeakPolarHBondContact O-CB 3.45Å; V477-L480 PolarHBondContact O-N 3.14Å; V477-F481 WeakPolarHBondContact O-CB 3.44Å; V477-F481 PolarHBondContact O-N 3.14Å |
| 478 | G | 49.4 | Very low | 44.8 | Very low | 33 Ų | 33 | 100.6 Ų | 100.6 | 34% | 0.34 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -72.5 | -26.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | G474 L476 F481 Y482 | G474-G478 CarbonylContact O-C 3.25Å; G474-G478 VanDerWaalsContact O-CA 3.23Å; G474-G478 WeakPolarHBondContact O-CA 3.33Å; G474-G478 PolarHBondContact O-N 3Å; L476-G478 VanDerWaalsContact C-N 3.31Å; G478-F481 PolarHBondContact O-N 2.77Å; G478-Y482 VanDerWaalsContact O-CB 3.26Å; G478-Y482 WeakPolarHBondContact O-CB 3.42Å; G478-Y482 PolarHBondContact O-N 2.85Å |
| 479 | T | 52 | Low | 45 | Very low | 81 Ų | 81 | 97.2 Ų | 97.2 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -79.2 | -31.4 | 166.7 | 47 | 0 | 0 | 0 | 0 | 112.3 | A475 L476 F481 Y482 L483 | A475-T479 WeakPolarHBondContact O-CB 2.94Å; A475-T479 WeakPolarHBondContact O-CG2 3.28Å; A475-T479 PolarHBondContact O-N 3.23Å; A475-T479 PolarHBondContact O-OG1 3.11Å; L476-T479 WeakPolarHBondContact CA-OG1 3.46Å; L476-T479 PolarHBondContact O-N 3.41Å; L476-T479 PolarHBondContact O-OG1 3.19Å; T479-F481 VanDerWaalsContact C-N 3.33Å; T479-Y482 PolarHBondContact O-N 2.91Å; T479-L483 VanDerWaalsContact O-CB 3.32Å; T479-L483 WeakPolarHBondContact O-CB 3.01Å; T479-L483 PolarHBondContact O-N 3.03Å |
| 480 | L | 50 | Low | 45.3 | Very low | 99 Ų | 99 | 95.3 Ų | 95.3 | 52% | 0.518 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.1 | -38.3 | 167.4 | -133.7 | 78.2 | 0 | 0 | 0 | 111.6 | L476 V477 L483 I484 | L476-L480 VanDerWaalsContact O-CB 3.28Å; L476-L480 WeakPolarHBondContact O-CB 3.39Å; L476-L480 PolarHBondContact O-N 3.28Å; V477-L480 CarbonylContact O-C 3.51Å; V477-L480 WeakPolarHBondContact O-CB 3.45Å; V477-L480 PolarHBondContact O-N 3.14Å; L480-L483 CarbonylContact O-C 3.48Å; L480-L483 WeakPolarHBondContact O-CB 3.33Å; L480-L483 PolarHBondContact O-N 3.05Å; L480-I484 HydrophobicContact CD2-CD1 4.42Å; L480-I484 HydrophobicContact CG-CD1 4.33Å; L480-I484 WeakPolarHBondContact O-CB 3.27Å; L480-I484 WeakPolarHBondContact O-CD1 3.35Å; L480-I484 VanDerWaalsContact O-CG1 3.23Å; L480-I484 WeakPolarHBondContact O-CG1 3.32Å; L480-I484 PolarHBondContact O-N 2.7Å |
| 481 | F | 54.6 | Low | 45.6 | Very low | 126.5 Ų | 126.5 | 95.2 Ų | 95.2 | 56% | 0.555 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -74.7 | -30.3 | 176.1 | -151.7 | -107.6 | 0 | 0 | 0 | 111.4 | V477 G478 T479 I484 I485 | V477-F481 WeakPolarHBondContact O-CB 3.44Å; V477-F481 PolarHBondContact O-N 3.14Å; G478-F481 PolarHBondContact O-N 2.77Å; T479-F481 VanDerWaalsContact C-N 3.33Å; F481-I484 PolarHBondContact O-N 3.13Å; F481-I485 HydrophobicContact CD1-CD1 3.6Å; F481-I485 HydrophobicContact CD1-CG1 4.3Å; F481-I485 HydrophobicContact CE1-CD1 3.73Å; F481-I485 HydrophobicContact CE1-CG1 4.28Å; F481-I485 WeakPolarHBondContact O-CB 3.43Å; F481-I485 VanDerWaalsContact O-CG1 3.26Å; F481-I485 WeakPolarHBondContact O-CG1 3.43Å; F481-I485 PolarHBondContact O-N 3.06Å |
| 482 | Y | 49.8 | Very low | 45.6 | Very low | 149 Ų | 149 | 91.7 Ų | 91.7 | 58% | 0.584 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69.7 | -34.6 | 166.6 | -147.7 | -101.8 | 0 | 0 | 0 | 111.4 | G478 T479 L486 | G478-Y482 VanDerWaalsContact O-CB 3.26Å; G478-Y482 WeakPolarHBondContact O-CB 3.42Å; G478-Y482 PolarHBondContact O-N 2.85Å; T479-Y482 PolarHBondContact O-N 2.91Å; Y482-L486 HydrophobicContact CD1-CD1 3.73Å; Y482-L486 HydrophobicContact CD1-CG 4.3Å; Y482-L486 HydrophobicContact CE1-CD1 4.05Å; Y482-L486 HydrophobicContact CE1-CG 4.4Å; Y482-L486 VanDerWaalsContact O-CB 3.25Å; Y482-L486 WeakPolarHBondContact O-CB 3.37Å; Y482-L486 WeakPolarHBondContact O-CD1 2.93Å; Y482-L486 VanDerWaalsContact O-CG 3.23Å; Y482-L486 WeakPolarHBondContact O-CG 3.33Å; Y482-L486 PolarHBondContact O-N 2.89Å |
| 483 | L | 46.5 | Very low | 46.5 | Very low | 102 Ų | 102 | 90.7 Ų | 90.7 | 53% | 0.534 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.3 | -40.8 | 172.3 | -129.6 | 75.7 | 0 | 0 | 0 | 111.6 | T479 L480 L486 L487 | T479-L483 VanDerWaalsContact O-CB 3.32Å; T479-L483 WeakPolarHBondContact O-CB 3.01Å; T479-L483 PolarHBondContact O-N 3.03Å; L480-L483 CarbonylContact O-C 3.48Å; L480-L483 WeakPolarHBondContact O-CB 3.33Å; L480-L483 PolarHBondContact O-N 3.05Å; L483-L486 CarbonylContact O-C 3.53Å; L483-L486 WeakPolarHBondContact O-CA 3.33Å; L483-L486 WeakPolarHBondContact O-CB 3.36Å; L483-L486 PolarHBondContact O-N 3.17Å; L483-L487 VanDerWaalsContact O-CB 3.29Å; L483-L487 WeakPolarHBondContact O-CB 3.3Å; L483-L487 WeakPolarHBondContact O-CD1 3.35Å; L483-L487 WeakPolarHBondContact O-CG 3.26Å; L483-L487 PolarHBondContact O-N 3.2Å |
| 484 | I | 52.7 | Low | 47.8 | Very low | 71.5 Ų | 71.5 | 86.2 Ų | 86.2 | 37% | 0.367 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69 | -43.3 | 176.9 | -71.5 | 162.1 | 0 | 0 | 0 | 109.9 | L480 F481 L486 L487 D488 | L480-I484 HydrophobicContact CD2-CD1 4.42Å; L480-I484 HydrophobicContact CG-CD1 4.33Å; L480-I484 WeakPolarHBondContact O-CB 3.27Å; L480-I484 WeakPolarHBondContact O-CD1 3.35Å; L480-I484 VanDerWaalsContact O-CG1 3.23Å; L480-I484 WeakPolarHBondContact O-CG1 3.32Å; L480-I484 PolarHBondContact O-N 2.7Å; F481-I484 PolarHBondContact O-N 3.13Å; I484-L486 VanDerWaalsContact C-N 3.29Å; I484-L486 PolarHBondContact O-N 3.04Å; I484-L487 CarbonylContact O-C 2.95Å; I484-L487 WeakPolarHBondContact O-CA 3.37Å; I484-L487 WeakPolarHBondContact O-CB 3.34Å; I484-L487 PolarHBondContact O-N 3.37Å; I484-D488 VanDerWaalsContact CG2-OD2 3.24Å; I484-D488 WeakPolarHBondContact CG2-OD2 3.15Å; I484-D488 WeakPolarHBondContact O-CB 3.09Å; I484-D488 VanDerWaalsContact O-CG 3.26Å; I484-D488 PolarHBondContact O-N 3.09Å |
| 485 | I | 52 | Low | 49.5 | Very low | 86 Ų | 86 | 85.6 Ų | 85.6 | 44% | 0.441 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.2 | -33.2 | 170.9 | -70.5 | 168.2 | 0 | 0 | 0 | 111.5 | F481 L487 A489 | F481-I485 HydrophobicContact CD1-CD1 3.6Å; F481-I485 HydrophobicContact CD1-CG1 4.3Å; F481-I485 HydrophobicContact CE1-CD1 3.73Å; F481-I485 HydrophobicContact CE1-CG1 4.28Å; F481-I485 WeakPolarHBondContact O-CB 3.43Å; F481-I485 VanDerWaalsContact O-CG1 3.26Å; F481-I485 WeakPolarHBondContact O-CG1 3.43Å; F481-I485 PolarHBondContact O-N 3.06Å; I485-L487 PolarHBondContact O-N 2.71Å; I485-A489 WeakPolarHBondContact O-CA 3.17Å; I485-A489 VanDerWaalsContact O-CB 3.24Å; I485-A489 WeakPolarHBondContact O-CB 3.42Å; I485-A489 PolarHBondContact O-N 3.17Å |
| 486 | L | 46.4 | Very low | 51 | Low | 97 Ų | 97 | 83.6 Ų | 83.6 | 51% | 0.508 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -72.9 | -18.3 | 171 | -77.7 | 167.6 | 0 | 0 | 0 | 113.4 | Y482 L483 I484 A489 V490 | Y482-L486 HydrophobicContact CD1-CD1 3.73Å; Y482-L486 HydrophobicContact CD1-CG 4.3Å; Y482-L486 HydrophobicContact CE1-CD1 4.05Å; Y482-L486 HydrophobicContact CE1-CG 4.4Å; Y482-L486 VanDerWaalsContact O-CB 3.25Å; Y482-L486 WeakPolarHBondContact O-CB 3.37Å; Y482-L486 WeakPolarHBondContact O-CD1 2.93Å; Y482-L486 VanDerWaalsContact O-CG 3.23Å; Y482-L486 WeakPolarHBondContact O-CG 3.33Å; Y482-L486 PolarHBondContact O-N 2.89Å; L483-L486 CarbonylContact O-C 3.53Å; L483-L486 WeakPolarHBondContact O-CA 3.33Å; L483-L486 WeakPolarHBondContact O-CB 3.36Å; L483-L486 PolarHBondContact O-N 3.17Å; I484-L486 VanDerWaalsContact C-N 3.29Å; I484-L486 PolarHBondContact O-N 3.04Å; L486-A489 CarbonylContact O-C 3.08Å; L486-V490 VanDerWaalsContact O-CB 3.23Å; L486-V490 WeakPolarHBondContact O-CB 3.29Å; L486-V490 WeakPolarHBondContact O-CG2 3.43Å; L486-V490 PolarHBondContact O-N 3.34Å |
| 487 | L | 43.1 | Very low | 52.4 | Low | 107 Ų | 107 | 85 Ų | 85 | 56% | 0.56 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -89.6 | -36.1 | 173.4 | -75.2 | 161.9 | 0 | 0 | 0 | 111.6 | L483 I484 I485 A489 V490 T491 | L483-L487 VanDerWaalsContact O-CB 3.29Å; L483-L487 WeakPolarHBondContact O-CB 3.3Å; L483-L487 WeakPolarHBondContact O-CD1 3.35Å; L483-L487 WeakPolarHBondContact O-CG 3.26Å; L483-L487 PolarHBondContact O-N 3.2Å; I484-L487 CarbonylContact O-C 2.95Å; I484-L487 WeakPolarHBondContact O-CA 3.37Å; I484-L487 WeakPolarHBondContact O-CB 3.34Å; I484-L487 PolarHBondContact O-N 3.37Å; I485-L487 PolarHBondContact O-N 2.71Å; L487-A489 VanDerWaalsContact C-N 3.31Å; L487-V490 CarbonylContact O-C 3.51Å; L487-V490 VanDerWaalsContact O-CA 3.24Å; L487-V490 WeakPolarHBondContact O-CA 3.34Å; L487-V490 VanDerWaalsContact O-CB 3.28Å; L487-V490 WeakPolarHBondContact O-CB 3.04Å; L487-V490 VanDerWaalsContact O-CG2 3.28Å; L487-V490 WeakPolarHBondContact O-CG2 3.15Å; L487-V490 PolarHBondContact O-N 3.04Å; L487-T491 PolarHBondContact O-N 3.14Å |
| 488 | D | 40.6 | Very low | 53.5 | Low | 98.5 Ų | 98.5 | 87.6 Ų | 87.6 | 53% | 0.527 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -76.2 | -31.7 | 174.5 | -66.4 | -27.4 | 0 | 0 | 0 | 111.4 | I484 V490 T491 | I484-D488 VanDerWaalsContact CG2-OD2 3.24Å; I484-D488 WeakPolarHBondContact CG2-OD2 3.15Å; I484-D488 WeakPolarHBondContact O-CB 3.09Å; I484-D488 VanDerWaalsContact O-CG 3.26Å; I484-D488 PolarHBondContact O-N 3.09Å; D488-V490 PolarHBondContact O-N 2.8Å; D488-V490 VanDerWaalsContact O-N 3.11Å; D488-T491 PolarHBondContact O-N 3.06Å; D488-T491 PolarHBondContact O-OG1 3.06Å |
| 489 | A | 39.7 | Very low | 54.9 | Low | 61 Ų | 61 | 87.6 Ų | 87.6 | 50% | 0.504 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 1.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I485 L486 L487 T491 | I485-A489 WeakPolarHBondContact O-CA 3.17Å; I485-A489 VanDerWaalsContact O-CB 3.24Å; I485-A489 WeakPolarHBondContact O-CB 3.42Å; I485-A489 PolarHBondContact O-N 3.17Å; L486-A489 CarbonylContact O-C 3.08Å; L487-A489 VanDerWaalsContact C-N 3.31Å; A489-T491 PolarHBondContact O-N 2.81Å |
| 490 | V | 40.4 | Very low | 56.1 | Low | 72.5 Ų | 72.5 | 84.7 Ų | 84.7 | 44% | 0.439 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 1.7 | 171.4 | 174.4 | 0 | 0 | 0 | 0 | 111.6 | L486 L487 D488 G492 | L486-V490 VanDerWaalsContact O-CB 3.23Å; L486-V490 WeakPolarHBondContact O-CB 3.29Å; L486-V490 WeakPolarHBondContact O-CG2 3.43Å; L486-V490 PolarHBondContact O-N 3.34Å; L487-V490 CarbonylContact O-C 3.51Å; L487-V490 VanDerWaalsContact O-CA 3.24Å; L487-V490 WeakPolarHBondContact O-CA 3.34Å; L487-V490 VanDerWaalsContact O-CB 3.28Å; L487-V490 WeakPolarHBondContact O-CB 3.04Å; L487-V490 VanDerWaalsContact O-CG2 3.28Å; L487-V490 WeakPolarHBondContact O-CG2 3.15Å; L487-V490 PolarHBondContact O-N 3.04Å; D488-V490 PolarHBondContact O-N 2.8Å; D488-V490 VanDerWaalsContact O-N 3.11Å; V490-G492 PolarHBondContact O-N 3.04Å |
| 491 | T | 43 | Very low | 57.5 | Low | 87 Ų | 87 | 85.1 Ų | 85.1 | 53% | 0.534 | 47% | 0.471 | S | S | . | . | trans | -71.4 | 66.6 | 157.2 | 55.9 | 0 | 0 | 0 | 0 | 110.5 | L487 D488 A489 H493 | L487-T491 PolarHBondContact O-N 3.14Å; D488-T491 PolarHBondContact O-N 3.06Å; D488-T491 PolarHBondContact O-OG1 3.06Å; A489-T491 PolarHBondContact O-N 2.81Å; T491-H493 PolarHBondContact O-N 3.04Å; T491-H493 PolarHBondContact O-ND1 3.23Å | ||
| 492 | G | 43.4 | Very low | 58.8 | Low | 51.5 Ų | 51.5 | 82.4 Ų | 82.4 | 53% | 0.531 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -53 | 125.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | V490 T494 | V490-G492 PolarHBondContact O-N 3.04Å; G492-T494 PolarHBondContact O-N 2.98Å; G492-T494 VanDerWaalsContact O-N 3.08Å |
| 493 | H | 56.3 | Low | 60.5 | Low | 72 Ų | 72 | 75.9 Ų | 75.9 | 33% | 0.333 | 44% | 0.436 | S | S | . | . | trans | -62.3 | 116.3 | -168.8 | -61.6 | 7 | 0 | 0 | 0 | 109.4 | T491 N507 I512 | T491-H493 PolarHBondContact O-N 3.04Å; T491-H493 PolarHBondContact O-ND1 3.23Å; H493-N507 VanDerWaalsContact O-CB 3.31Å; H493-N507 WeakPolarHBondContact O-CB 3.44Å; H493-N507 PolarHBondContact O-OD1 2.86Å; H493-N507 VanDerWaalsContact O-OD1 3.09Å; H493-I512 HydrophobicContact CB-CG2 3.94Å; H493-I512 WeakPolarHBondContact O-CG2 3.3Å | ||
| 494 | T | 64 | Low | 62.4 | Low | 95 Ų | 95 | 75.1 Ų | 75.1 | 58% | 0.583 | 43% | 0.428 | S | S | * | . | trans | -98.3 | 133.5 | -175.6 | 35.5 | 0 | 0 | 0 | 0 | 110.2 | G492 P496 N507 | G492-T494 PolarHBondContact O-N 2.98Å; G492-T494 VanDerWaalsContact O-N 3.08Å; T494-P496 VanDerWaalsContact O-CD 3.29Å; T494-P496 WeakPolarHBondContact O-CD 3.34Å; T494-P496 VanDerWaalsContact O-N 3.17Å; T494-N507 WeakPolarHBondContact CA-OD1 3.28Å | ||
| 495 | C | 77.6 | Confident | 64.1 | Low | 33.5 Ų | 33.5 | 72.7 Ų | 72.7 | 23% | 0.226 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -44.7 | 118.4 | 163.8 | -62.5 | 0 | 0 | 0 | 0 | 111.6 | I499 C505 R506 N507 | C495-I499 HydrophobicContact CB-CD1 4.17Å; C495-C505 VanDerWaalsContact CA-SG 3.56Å; C495-C505 WeakPolarHBondContact CA-SG 3.43Å; C495-C505 HydrophobicContact CB-CB 3.62Å; C495-C505 WeakPolarHBondContact CB-SG 3.37Å; C495-C505 VanDerWaalsContact SG-CA 3.56Å; C495-C505 WeakPolarHBondContact SG-CB 3.36Å; C495-C505 CovalentContact SG-SG 2.02Å; C495-C505 PolarHBondContact SG-SG 3.09Å; C495-R506 PolarHBondContact SG-N 2.79Å; C495-R506 VanDerWaalsContact SG-N 3.41Å; C495-N507 PolarHBondContact N-OD1 2.96Å; C495-N507 PolarHBondContact SG-OD1 3.14Å |
| 496 | P | 76.4 | Confident | 65.6 | Low | 17.5 Ų | 17.5 | 72.8 Ų | 72.8 | 11% | 0.114 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 142.7 | 178.4 | 13.8 | -26.4 | 0 | 0 | 0 | 113.4 | T494 H498 I499 A527 L528 K530 V533 | T494-P496 VanDerWaalsContact O-CD 3.29Å; T494-P496 WeakPolarHBondContact O-CD 3.34Å; T494-P496 VanDerWaalsContact O-N 3.17Å; P496-H498 PolarHBondContact O-N 3.26Å; P496-I499 HydrophobicContact CB-CG1 4.44Å; P496-I499 HydrophobicContact CG-CD1 3.94Å; P496-I499 HydrophobicContact CG-CG1 3.91Å; P496-I499 VanDerWaalsContact O-CG1 3.31Å; P496-I499 WeakPolarHBondContact O-CG1 3.25Å; P496-I499 PolarHBondContact O-N 3.23Å; P496-I499 VanDerWaalsContact O-N 3.13Å; P496-A527 WeakPolarHBondContact CG-O 3.01Å; P496-L528 HydrophobicContact CG-CD2 3.98Å; P496-L528 HydrophobicContact CG-CG 3.84Å; P496-K530 HydrophobicContact CB-CD 3.82Å; P496-V533 HydrophobicContact CG-CG2 4.29Å |
| 497 | D | 70.9 | Confident | 67.2 | Low | 149.5 Ų | 149.5 | 72.1 Ų | 72.1 | 80% | 0.799 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -1.8 | -170.8 | -40.9 | -81.9 | 0 | 0 | 0 | 115.2 | K530 | D497-K530 IonicContact OD2-NZ 2.7Š|
| 498 | H | 73.6 | Confident | 68.7 | Low | 150.5 Ų | 150.5 | 70.5 Ų | 70.5 | 70% | 0.697 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.3 | 26.5 | -176.4 | -59.4 | -16.3 | 0 | 0 | 0 | 111.7 | P496 A527 | P496-H498 PolarHBondContact O-N 3.26Å; H498-A527 VanDerWaalsContact O-CB 3.31Å; H498-A527 WeakPolarHBondContact O-CB 3.24Å |
| 499 | I | 79 | Confident | 69.9 | Low | 33 Ų | 33 | 70.2 Ų | 70.2 | 17% | 0.169 | 40% | 0.399 | C | S | . | . | trans | -65.2 | 138.1 | 164.9 | -76.3 | -179.8 | 0 | 0 | 0 | 109.2 | C495 P496 C503 C505 L528 | C495-I499 HydrophobicContact CB-CD1 4.17Å; P496-I499 HydrophobicContact CB-CG1 4.44Å; P496-I499 HydrophobicContact CG-CD1 3.94Å; P496-I499 HydrophobicContact CG-CG1 3.91Å; P496-I499 VanDerWaalsContact O-CG1 3.31Å; P496-I499 WeakPolarHBondContact O-CG1 3.25Å; P496-I499 PolarHBondContact O-N 3.23Å; P496-I499 VanDerWaalsContact O-N 3.13Å; I499-C503 HydrophobicContact CG2-CB 3.32Å; I499-C503 VanDerWaalsContact CG2-CB 3.4Å; I499-C503 WeakPolarHBondContact CG2-O 3.42Å; I499-C505 HydrophobicContact CD1-CB 3.57Å; I499-C505 VanDerWaalsContact CD1-CB 3.42Å; I499-L528 HydrophobicContact CD1-CD1 4.04Å; I499-L528 HydrophobicContact CD1-CD2 3.99Å; I499-L528 HydrophobicContact CD1-CG 4.18Å; I499-L528 HydrophobicContact CG1-CD1 3.85Å; I499-L528 HydrophobicContact CG1-CD2 4.4Å; I499-L528 HydrophobicContact CG1-CG 4.12Å | ||
| 500 | P | 79 | Confident | 71.2 | Confident | 19.5 Ų | 19.5 | 69.9 Ų | 69.9 | 13% | 0.127 | 40% | 0.397 | C | S | . | . | trans | -59.1 | 152 | 179.4 | -27.3 | 37.7 | 0 | 0 | 0 | 113.6 | I371 E502 C503 V519 T523 V524 | I371-P500 HydrophobicContact CD1-CB 3.55Å; I371-P500 HydrophobicContact CD1-CG 3.44Å; I371-P500 VanDerWaalsContact CD1-CG 3.44Å; I371-P500 HydrophobicContact CG1-CB 3.69Å; I371-P500 HydrophobicContact CG1-CG 3.47Å; I371-P500 VanDerWaalsContact CG1-CG 3.47Å; P500-E502 VanDerWaalsContact CB-OE2 3.29Å; P500-E502 WeakPolarHBondContact CB-OE2 3.31Å; P500-E502 PolarHBondContact O-N 3.14Å; P500-E502 VanDerWaalsContact O-N 3.14Å; P500-C503 HydrophobicContact CB-CB 4.39Å; P500-C503 WeakPolarHBondContact O-CA 3.49Å; P500-C503 VanDerWaalsContact O-CB 3.24Å; P500-C503 WeakPolarHBondContact O-CB 3.21Å; P500-C503 PolarHBondContact O-N 3.21Å; P500-V519 HydrophobicContact CB-CG1 4.12Å; P500-V519 HydrophobicContact CG-CG1 4.01Å; P500-T523 HydrophobicContact CG-CG2 4.09Å; P500-V524 HydrophobicContact CG-CG2 3.71Å | ||
| 501 | S | 78.9 | Confident | 72.9 | Confident | 108 Ų | 108 | 66.5 Ų | 66.5 | 76% | 0.755 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -26 | -177.9 | 17.9 | 0 | 0 | 0 | 0 | 113.4 | C503 | S501-C503 VanDerWaalsContact C-N 3.32Å; S501-C503 PolarHBondContact O-N 2.92Å |
| 502 | E | 80.8 | Confident | 74.9 | Confident | 69.5 Ų | 69.5 | 62.4 Ų | 62.4 | 33% | 0.325 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -1.7 | -178.8 | -51.6 | 66.6 | -132.8 | 0 | 0 | 111.8 | P324 P500 C516 N517 V519 | P324-E502 HydrophobicContact CB-CG 4.15Å; P324-E502 HydrophobicContact CG-CB 4.32Å; P324-E502 HydrophobicContact CG-CG 3.8Å; P500-E502 VanDerWaalsContact CB-OE2 3.29Å; P500-E502 WeakPolarHBondContact CB-OE2 3.31Å; P500-E502 PolarHBondContact O-N 3.14Å; P500-E502 VanDerWaalsContact O-N 3.14Å; E502-C516 CarbonylContact O-C 3.32Å; E502-C516 WeakPolarHBondContact O-CA 3.18Å; E502-N517 WeakPolarHBondContact CB-O 3.13Å; E502-N517 PolarHBondContact O-N 2.98Å; E502-V519 HydrophobicContact CB-CG1 4.03Å; E502-V519 HydrophobicContact CB-CG2 3.73Å; E502-V519 HydrophobicContact CG-CG1 4.42Å; E502-V519 HydrophobicContact CG-CG2 4.39Å |
| 503 | C | 85.5 | Confident | 77 | Confident | 11.5 Ų | 11.5 | 60.7 Ų | 60.7 | 8% | 0.078 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 108 | -172.8 | -66.5 | 0 | 0 | 0 | 0 | 113.8 | I499 P500 S501 C505 V514 H515 C516 V524 | I499-C503 HydrophobicContact CG2-CB 3.32Å; I499-C503 VanDerWaalsContact CG2-CB 3.4Å; I499-C503 WeakPolarHBondContact CG2-O 3.42Å; P500-C503 HydrophobicContact CB-CB 4.39Å; P500-C503 WeakPolarHBondContact O-CA 3.49Å; P500-C503 VanDerWaalsContact O-CB 3.24Å; P500-C503 WeakPolarHBondContact O-CB 3.21Å; P500-C503 PolarHBondContact O-N 3.21Å; S501-C503 VanDerWaalsContact C-N 3.32Å; S501-C503 PolarHBondContact O-N 2.92Å; C503-C505 PolarHBondContact O-N 2.96Å; C503-V514 HydrophobicContact CB-CG1 4.38Å; C503-H515 CarbonylContact C-O 3.52Å; C503-H515 VanDerWaalsContact CA-O 3.31Å; C503-H515 WeakPolarHBondContact CA-O 3.36Å; C503-C516 HydrophobicContact CB-CB 4.06Å; C503-C516 WeakPolarHBondContact CB-SG 3.27Å; C503-C516 WeakPolarHBondContact SG-CA 3.07Å; C503-C516 WeakPolarHBondContact SG-CB 3.33Å; C503-C516 CovalentContact SG-SG 2.03Å; C503-C516 PolarHBondContact SG-SG 3.3Å; C503-V524 WeakPolarHBondContact SG-CG2 3.09Å |
| 504 | K | 87.7 | Confident | 78.5 | Confident | 86.5 Ų | 86.5 | 57.3 Ų | 57.3 | 38% | 0.376 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 98.8 | 177.7 | -60.1 | 171.1 | 164.7 | 162.7 | 0 | 112.4 | L326 D327 W328 R330 Q331 R334 V514 H515 | L326-K504 PolarHBondContact O-NZ 3.39Å; D327-K504 VanDerWaalsContact CA-NZ 3.31Å; D327-K504 HydrophobicContact CB-CD 4.4Å; D327-K504 HydrophobicContact CB-CG 4.27Å; D327-K504 WeakPolarHBondContact O-CE 3.31Å; D327-K504 WeakPolarHBondContact O-CG 3.47Å; D327-K504 WeakPolarHBondContact OD1-CE 3.21Å; D327-K504 IonicContact OD1-NZ 3.13Å; D327-K504 PolarHBondContact OD1-NZ 3.31Å; D327-K504 WeakPolarHBondContact OD2-CD 3.27Å; D327-K504 WeakPolarHBondContact OD2-CE 3.4Å; D327-K504 WeakPolarHBondContact OD2-CG 3.39Å; D327-K504 IonicContact OD2-NZ 2.7Å; D327-K504 PolarHBondContact OD2-NZ 2.77Å; W328-K504 VanDerWaalsContact N-CE 3.27Å; R330-K504 VanDerWaalsContact CA-NZ 3.31Å; R330-K504 HydrophobicContact CB-CD 3.97Å; R330-K504 VanDerWaalsContact CD-NZ 3.26Å; Q331-K504 HydrophobicContact CB-CB 3.63Å; Q331-K504 HydrophobicContact CB-CD 3.74Å; Q331-K504 HydrophobicContact CB-CG 3.67Å; Q331-K504 HydrophobicContact CG-CB 3.65Å; Q331-K504 HydrophobicContact CG-CG 4.21Å; Q331-K504 VanDerWaalsContact N-CD 3.28Å; R334-K504 PolarHBondContact NH2-O 3.29Å; K504-V514 CarbonylContact O-C 3.1Å; K504-H515 HydrophobicContact CB-CB 3.8Å; K504-H515 HydrophobicContact CD-CB 3.89Å; K504-H515 HydrophobicContact CG-CB 4.31Å; K504-H515 VanDerWaalsContact N-C 3.28Å; K504-H515 PolarHBondContact N-O 2.83Å; K504-H515 VanDerWaalsContact N-O 3.12Å; K504-H515 PolarHBondContact O-N 2.88Å |
| 505 | C | 87.3 | Confident | 79.8 | Confident | 21 Ų | 21 | 54.5 Ų | 54.5 | 14% | 0.142 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 145.6 | 174.9 | 179.9 | 0 | 0 | 0 | 0 | 113.1 | Q331 C495 I499 C503 S513 V514 | Q331-C505 PolarHBondContact NE2-O 2.85Å; C495-C505 VanDerWaalsContact CA-SG 3.56Å; C495-C505 WeakPolarHBondContact CA-SG 3.43Å; C495-C505 HydrophobicContact CB-CB 3.62Å; C495-C505 WeakPolarHBondContact CB-SG 3.37Å; C495-C505 VanDerWaalsContact SG-CA 3.56Å; C495-C505 WeakPolarHBondContact SG-CB 3.36Å; C495-C505 CovalentContact SG-SG 2.02Å; C495-C505 PolarHBondContact SG-SG 3.09Å; I499-C505 HydrophobicContact CD1-CB 3.57Å; I499-C505 VanDerWaalsContact CD1-CB 3.42Å; C503-C505 PolarHBondContact O-N 2.96Å; C505-S513 CarbonylContact C-O 3.49Å; C505-S513 WeakPolarHBondContact CA-O 3.44Å; C505-V514 HydrophobicContact CB-CG2 4.31Å |
| 506 | R | 84.1 | Confident | 80.3 | Confident | 87 Ų | 87 | 52.9 Ų | 52.9 | 33% | 0.328 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 143.2 | 174.6 | -60.4 | 178.8 | 176.1 | -127 | 4.3 | 110.1 | R330 Q331 R334 D335 C495 Y508 I512 S513 | R330-R506 PolarHBondContact O-NH2 3.08Å; Q331-R506 VanDerWaalsContact C-CZ 3.43Å; Q331-R506 VanDerWaalsContact C-NH1 3.32Å; Q331-R506 VanDerWaalsContact O-CZ 3.25Å; Q331-R506 PolarHBondContact O-NH1 3.19Å; Q331-R506 PolarHBondContact O-NH2 2.9Å; R334-R506 VanDerWaalsContact CB-NE 3.25Å; D335-R506 VanDerWaalsContact OD1-CD 3.25Å; D335-R506 WeakPolarHBondContact OD1-CD 3.33Å; D335-R506 IonicContact OD1-CZ 4Å; D335-R506 IonicContact OD1-NE 2.79Å; D335-R506 IonicContact OD1-NH1 3.04Å; D335-R506 PolarHBondContact OD1-NH1 2.98Å; D335-R506 IonicContact OD2-CZ 3.27Å; D335-R506 IonicContact OD2-NH1 3.87Å; D335-R506 PolarHBondContact OD2-NH1 3.18Å; C495-R506 PolarHBondContact SG-N 2.79Å; C495-R506 VanDerWaalsContact SG-N 3.41Å; R506-Y508 HydrophobicContact CB-CD2 4.3Å; R506-Y508 HydrophobicContact CB-CE2 3.67Å; R506-Y508 WeakPolarHBondContact CD-OH 2.86Å; R506-I512 CarbonylContact O-C 3.44Å; R506-I512 VanDerWaalsContact O-CA 3.28Å; R506-I512 WeakPolarHBondContact O-CA 3.34Å; R506-S513 WeakPolarHBondContact CB-OG 3.44Å; R506-S513 WeakPolarHBondContact CD-OG 3.47Å; R506-S513 PolarHBondContact N-O 3.33Å; R506-S513 PolarHBondContact O-N 3.26Å |
| 507 | N | 80.1 | Confident | 80.9 | Confident | 83.5 Ų | 83.5 | 53.5 Ų | 53.5 | 45% | 0.447 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 130.1 | 176 | -52.5 | -23.6 | 0 | 0 | 0 | 109.8 | H493 T494 C495 | H493-N507 VanDerWaalsContact O-CB 3.31Å; H493-N507 WeakPolarHBondContact O-CB 3.44Å; H493-N507 PolarHBondContact O-OD1 2.86Å; H493-N507 VanDerWaalsContact O-OD1 3.09Å; T494-N507 WeakPolarHBondContact CA-OD1 3.28Å; C495-N507 PolarHBondContact N-OD1 2.96Å; C495-N507 PolarHBondContact SG-OD1 3.14Å |
| 508 | Y | 74.2 | Confident | 81.5 | Confident | 71.5 Ų | 71.5 | 51.2 Ų | 51.2 | 28% | 0.28 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 161.5 | 170.6 | -69.1 | -75.8 | 0 | 0 | 0 | 111 | R334 R337 I365 R506 A510 G511 S513 | R334-Y508 PolarHBondContact O-OH 3.42Å; R337-Y508 PolarHBondContact NE-OH 2.7Å; R337-Y508 PolarHBondContact NH2-OH 3.37Å; I365-Y508 HydrophobicContact CD1-CE2 3.91Å; R506-Y508 HydrophobicContact CB-CD2 4.3Å; R506-Y508 HydrophobicContact CB-CE2 3.67Å; R506-Y508 WeakPolarHBondContact CD-OH 2.86Å; Y508-A510 PolarHBondContact O-N 2.78Å; Y508-A510 VanDerWaalsContact O-N 3.14Å; Y508-G511 CarbonylContact C-O 3.44Å; Y508-G511 WeakPolarHBondContact CA-O 3.41Å; Y508-G511 WeakPolarHBondContact CB-O 3.37Å; Y508-G511 PolarHBondContact N-O 2.82Å; Y508-G511 PolarHBondContact O-N 3.12Å; Y508-S513 VanDerWaalsContact CE2-OG 3.31Å; Y508-S513 WeakPolarHBondContact CE2-OG 3.35Å |
| 509 | P | 65.9 | Low | 82 | Confident | 92.5 Ų | 92.5 | 44.2 Ų | 44.2 | 60% | 0.601 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -12.5 | -179.9 | -25.1 | 35.7 | 0 | 0 | 0 | 115.7 | ||
| 510 | A | 67.4 | Low | 82.3 | Confident | 56 Ų | 56 | 45.7 Ų | 45.7 | 46% | 0.463 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 0.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y508 | Y508-A510 PolarHBondContact O-N 2.78Å; Y508-A510 VanDerWaalsContact O-N 3.14Å |
| 511 | G | 75.6 | Confident | 82.6 | Confident | 0.5 Ų | 0.5 | 45.6 Ų | 45.6 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 142.2 | 175.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y508 V534 | Y508-G511 CarbonylContact C-O 3.44Å; Y508-G511 WeakPolarHBondContact CA-O 3.41Å; Y508-G511 WeakPolarHBondContact CB-O 3.37Å; Y508-G511 PolarHBondContact N-O 2.82Å; Y508-G511 PolarHBondContact O-N 3.12Å; G511-V534 CarbonylContact C-O 3.03Å; G511-V534 VanDerWaalsContact CA-O 3.26Å; G511-V534 WeakPolarHBondContact CA-O 3.34Å |
| 512 | I | 84.8 | Confident | 82.8 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 164.2 | 173.6 | 62.4 | 168.7 | 0 | 0 | 0 | 111.8 | H493 R506 V514 L528 V533 V534 V535 D536 K537 | H493-I512 HydrophobicContact CB-CG2 3.94Å; H493-I512 WeakPolarHBondContact O-CG2 3.3Å; R506-I512 CarbonylContact O-C 3.44Å; R506-I512 VanDerWaalsContact O-CA 3.28Å; R506-I512 WeakPolarHBondContact O-CA 3.34Å; I512-V514 HydrophobicContact CD1-CG2 3.87Å; I512-V514 HydrophobicContact CG1-CG2 4.13Å; I512-L528 HydrophobicContact CD1-CD2 3.59Å; I512-V533 HydrophobicContact CD1-CG1 3.63Å; I512-V533 HydrophobicContact CG1-CG1 4.29Å; I512-V534 WeakPolarHBondContact CG1-O 3.31Å; I512-V534 PolarHBondContact N-O 3.13Å; I512-V535 HydrophobicContact CD1-CG2 4.12Å; I512-V535 HydrophobicContact CG1-CB 4.22Å; I512-V535 HydrophobicContact CG1-CG1 4.19Å; I512-V535 HydrophobicContact CG1-CG2 3.85Å; I512-V535 CarbonylContact O-C 3.39Å; I512-V535 WeakPolarHBondContact O-CG1 3.15Å; I512-D536 PolarHBondContact O-N 2.94Å; I512-K537 PolarHBondContact O-N 3.39Å |
| 513 | S | 88.6 | Confident | 83 | Confident | 15.5 Ų | 15.5 | 42.9 Ų | 42.9 | 11% | 0.108 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 105.2 | 178.9 | 156.9 | 0 | 0 | 0 | 0 | 108.5 | R334 I365 C505 R506 Y508 K537 | R334-S513 PolarHBondContact NH2-O 3.28Å; R334-S513 PolarHBondContact NH2-OG 3.27Å; I365-S513 WeakPolarHBondContact CG1-OG 3.46Å; I365-S513 WeakPolarHBondContact CG2-OG 3.14Å; C505-S513 CarbonylContact C-O 3.49Å; C505-S513 WeakPolarHBondContact CA-O 3.44Å; R506-S513 WeakPolarHBondContact CB-OG 3.44Å; R506-S513 WeakPolarHBondContact CD-OG 3.47Å; R506-S513 PolarHBondContact N-O 3.33Å; R506-S513 PolarHBondContact O-N 3.26Å; Y508-S513 VanDerWaalsContact CE2-OG 3.31Å; Y508-S513 WeakPolarHBondContact CE2-OG 3.35Å; S513-K537 CarbonylContact C-O 3.44Å; S513-K537 VanDerWaalsContact CA-O 3.29Å; S513-K537 WeakPolarHBondContact CA-O 3.34Å |
| 514 | V | 87.9 | Confident | 83.1 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 147.6 | -176.8 | -177.3 | 0 | 0 | 0 | 0 | 109.9 | R334 I365 N366 C503 K504 C505 I512 C516 V524 L528 K537 L538 K539 | R334-V514 PolarHBondContact NH2-O 3.19Å; R334-V514 VanDerWaalsContact NH2-O 3.1Å; I365-V514 CarbonylContact C-O 2.96Å; I365-V514 WeakPolarHBondContact CA-O 3.08Å; I365-V514 WeakPolarHBondContact CG2-O 3.03Å; N366-V514 PolarHBondContact N-O 3.11Å; N366-V514 CarbonylContact O-C 3.34Å; N366-V514 WeakPolarHBondContact O-CA 3.36Å; N366-V514 WeakPolarHBondContact O-CB 3.42Å; C503-V514 HydrophobicContact CB-CG1 4.38Å; K504-V514 CarbonylContact O-C 3.1Å; C505-V514 HydrophobicContact CB-CG2 4.31Å; I512-V514 HydrophobicContact CD1-CG2 3.87Å; I512-V514 HydrophobicContact CG1-CG2 4.13Å; V514-C516 WeakPolarHBondContact CG1-SG 3.27Å; V514-V524 HydrophobicContact CG1-CG1 4.46Å; V514-L528 HydrophobicContact CG1-CD1 4.24Å; V514-L528 HydrophobicContact CG2-CD1 4.1Å; V514-L528 HydrophobicContact CG2-CD2 3.85Å; V514-L528 HydrophobicContact CG2-CG 4.38Å; V514-K537 PolarHBondContact N-O 3.39Å; V514-L538 HydrophobicContact CB-CD1 3.86Å; V514-L538 HydrophobicContact CG1-CD1 4.14Å; V514-L538 HydrophobicContact CG2-CD1 3.86Å; V514-K539 PolarHBondContact O-N 2.92Å |
| 515 | H | 91.5 | Very high | 83 | Confident | 35 Ų | 35 | 39.1 Ų | 39.1 | 16% | 0.162 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 88.4 | 167.7 | -163.7 | 169.1 | 0 | 0 | 0 | 110.5 | R330 R334 I362 T364 N366 C503 K504 K539 E541 | R330-H515 WeakPolarHBondContact CB-CE1 3.4Å; R330-H515 WeakPolarHBondContact CB-ND1 3.08Å; R330-H515 VanDerWaalsContact CZ-NE2 3.27Å; R330-H515 PolarHBondContact NE-CE1 2.63Å; R330-H515 VanDerWaalsContact NE-CE1 3.33Å; R330-H515 PolarHBondContact NH1-CE1 3.27Å; R330-H515 PolarHBondContact NH1-ND1 3.41Å; R330-H515 PolarHBondContact NH2-CD2 3.13Å; R330-H515 PolarHBondContact NH2-CE1 2.94Å; R330-H515 PolarHBondContact NH2-NE2 3.07Å; R334-H515 PolarHBondContact NH1-ND1 2.82Å; I362-H515 PolarHBondContact O-CE1 3.1Å; T364-H515 PolarHBondContact O-CE1 2.77Å; T364-H515 PolarHBondContact O-NE2 2.78Å; N366-H515 VanDerWaalsContact CA-CA 3.45Å; N366-H515 VanDerWaalsContact CA-CD2 3.46Å; N366-H515 WeakPolarHBondContact CA-CD2 3.42Å; N366-H515 HydrophobicContact CB-CB 3.98Å; N366-H515 VanDerWaalsContact CB-CD2 3.42Å; N366-H515 WeakPolarHBondContact CB-CD2 3.12Å; N366-H515 VanDerWaalsContact CG-C 3.49Å; N366-H515 VanDerWaalsContact N-CB 3.25Å; N366-H515 PolarHBondContact N-CD2 3.12Å; N366-H515 WeakPolarHBondContact ND2-CA 3.46Å; N366-H515 PolarHBondContact ND2-CD2 2.67Å; N366-H515 VanDerWaalsContact ND2-CG 3.31Å; N366-H515 PolarHBondContact ND2-O 2.85Å; N366-H515 PolarHBondContact O-N 2.66Å; C503-H515 CarbonylContact C-O 3.52Å; C503-H515 VanDerWaalsContact CA-O 3.31Å; C503-H515 WeakPolarHBondContact CA-O 3.36Å; K504-H515 HydrophobicContact CB-CB 3.8Å; K504-H515 HydrophobicContact CD-CB 3.89Å; K504-H515 HydrophobicContact CG-CB 4.31Å; K504-H515 VanDerWaalsContact N-C 3.28Å; K504-H515 PolarHBondContact N-O 2.83Å; K504-H515 VanDerWaalsContact N-O 3.12Å; K504-H515 PolarHBondContact O-N 2.88Å; H515-K539 CarbonylContact C-O 3.51Å; H515-K539 WeakPolarHBondContact CA-O 3.14Å; H515-K539 PolarHBondContact NE2-NZ 2.96Å; H515-K539 VanDerWaalsContact NE2-NZ 3.13Å; H515-E541 IonicContact CD2-OE1 2.79Å; H515-E541 IonicContact CD2-OE2 3.32Å; H515-E541 IonicContact CE1-OE1 2.92Å; H515-E541 PolarHBondContact CE1-OE1 3.07Å; H515-E541 IonicContact CE1-OE2 2.73Å; H515-E541 PolarHBondContact CE1-OE2 3.23Å; H515-E541 IonicContact NE2-OE1 3.67Å; H515-E541 PolarHBondContact NE2-OE1 3.5Å; H515-E541 IonicContact NE2-OE2 2.89Å; H515-E541 PolarHBondContact NE2-OE2 2.85Å |
| 516 | C | 88.3 | Confident | 82.8 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 121.5 | 166.8 | -60.4 | 0 | 0 | 0 | 0 | 116.2 | N366 P367 E502 C503 V514 V519 V524 K539 I540 E541 | N366-C516 HydrophobicContact CB-CB 4Å; N366-C516 WeakPolarHBondContact CB-O 3.35Å; N366-C516 WeakPolarHBondContact ND2-CA 3.18Å; N366-C516 PolarHBondContact ND2-N 3.3Å; N366-C516 VanDerWaalsContact ND2-N 3.17Å; N366-C516 PolarHBondContact ND2-O 2.92Å; N366-C516 PolarHBondContact OD1-O 2.79Å; P367-C516 WeakPolarHBondContact O-CB 3.31Å; P367-C516 PolarHBondContact O-SG 2.71Å; E502-C516 CarbonylContact O-C 3.32Å; E502-C516 WeakPolarHBondContact O-CA 3.18Å; C503-C516 HydrophobicContact CB-CB 4.06Å; C503-C516 WeakPolarHBondContact CB-SG 3.27Å; C503-C516 WeakPolarHBondContact SG-CA 3.07Å; C503-C516 WeakPolarHBondContact SG-CB 3.33Å; C503-C516 CovalentContact SG-SG 2.03Å; C503-C516 PolarHBondContact SG-SG 3.3Å; V514-C516 WeakPolarHBondContact CG1-SG 3.27Å; C516-V519 HydrophobicContact CB-CB 4.16Å; C516-V519 HydrophobicContact CB-CG2 3.81Å; C516-V519 WeakPolarHBondContact O-CG2 3.23Å; C516-V524 HydrophobicContact CB-CG2 4.22Å; C516-V524 WeakPolarHBondContact SG-CG1 3.25Å; C516-V524 WeakPolarHBondContact SG-CG2 3.43Å; C516-K539 PolarHBondContact N-O 3.19Å; C516-I540 HydrophobicContact CB-CG1 4.34Å; C516-I540 WeakPolarHBondContact O-CA 3.29Å; C516-E541 PolarHBondContact O-N 2.92Å |
| 517 | N | 87.9 | Confident | 82.8 | Confident | 30 Ų | 30 | 42.5 Ų | 42.5 | 16% | 0.16 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 123.3 | 178.5 | -168.4 | 9.3 | 0 | 0 | 0 | 110.9 | D323 D327 R330 L357 N366 E502 V519 E541 N542 | D323-N517 VanDerWaalsContact C-ND2 3.26Å; D323-N517 VanDerWaalsContact CA-ND2 3.3Å; D323-N517 WeakPolarHBondContact CA-ND2 3.36Å; D323-N517 PolarHBondContact N-ND2 3.39Å; D323-N517 PolarHBondContact O-ND2 3.21Å; D327-N517 VanDerWaalsContact CG-CB 3.42Å; D327-N517 WeakPolarHBondContact OD1-CB 3.43Å; D327-N517 PolarHBondContact OD1-ND2 3.34Å; D327-N517 WeakPolarHBondContact OD2-CB 3.19Å; R330-N517 PolarHBondContact NH1-ND2 3.06Å; L357-N517 WeakPolarHBondContact CD1-OD1 2.99Å; L357-N517 VanDerWaalsContact CD2-OD1 3.22Å; L357-N517 WeakPolarHBondContact CD2-OD1 3.2Å; N366-N517 PolarHBondContact ND2-N 3.41Å; E502-N517 WeakPolarHBondContact CB-O 3.13Å; E502-N517 PolarHBondContact O-N 2.98Å; N517-V519 VanDerWaalsContact O-CG2 3.27Å; N517-V519 WeakPolarHBondContact O-CG2 3.28Å; N517-E541 WeakPolarHBondContact CA-O 3.21Å; N517-E541 HydrophobicContact CB-CG 4.14Å; N517-E541 PolarHBondContact OD1-O 3.36Å; N517-N542 WeakPolarHBondContact OD1-CB 3.16Å; N517-N542 PolarHBondContact OD1-ND2 3.26Å |
| 518 | Q | 84.6 | Confident | 83 | Confident | 101.5 Ų | 101.5 | 38.8 Ų | 38.8 | 47% | 0.474 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 71.6 | 37 | -176.5 | -103.5 | -174.2 | 20.8 | 0 | 0 | 116.1 | P324 E376 E541 N542 S543 | P324-Q518 HydrophobicContact CG-CB 3.9Å; E376-Q518 HydrophobicContact CG-CG 3.88Å; E376-Q518 WeakPolarHBondContact OE1-CB 3.43Å; E376-Q518 VanDerWaalsContact OE1-CD 3.27Å; E376-Q518 WeakPolarHBondContact OE1-CG 3.35Å; E376-Q518 PolarHBondContact OE1-NE2 3.06Å; E376-Q518 PolarHBondContact OE2-NE2 3.43Å; Q518-E541 PolarHBondContact N-O 3.22Å; Q518-N542 WeakPolarHBondContact CA-O 3.22Å; Q518-N542 HydrophobicContact CB-CB 4.1Å; Q518-N542 HydrophobicContact CG-CB 3.95Å; Q518-S543 PolarHBondContact N-OG 3.39Å |
| 519 | V | 82.9 | Confident | 83.3 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 3% | 0.03 | 23% | 0.225 | C | C | . | . | trans | -128.9 | 111.8 | -165.9 | -146.9 | 0 | 0 | 0 | 0 | 111.2 | P370 I371 P500 E502 C516 N517 I521 V524 S543 | P370-V519 CarbonylContact C-O 2.94Å; I371-V519 VanDerWaalsContact CA-CG1 3.4Å; I371-V519 HydrophobicContact CB-CG1 3.5Å; I371-V519 VanDerWaalsContact CB-CG1 3.5Å; I371-V519 HydrophobicContact CG1-CG1 3.34Å; I371-V519 HydrophobicContact CG2-CG1 3.65Å; I371-V519 PolarHBondContact N-O 3.02Å; I371-V519 VanDerWaalsContact N-O 3.17Å; P500-V519 HydrophobicContact CB-CG1 4.12Å; P500-V519 HydrophobicContact CG-CG1 4.01Å; E502-V519 HydrophobicContact CB-CG1 4.03Å; E502-V519 HydrophobicContact CB-CG2 3.73Å; E502-V519 HydrophobicContact CG-CG1 4.42Å; E502-V519 HydrophobicContact CG-CG2 4.39Å; C516-V519 HydrophobicContact CB-CB 4.16Å; C516-V519 HydrophobicContact CB-CG2 3.81Å; C516-V519 WeakPolarHBondContact O-CG2 3.23Å; N517-V519 VanDerWaalsContact O-CG2 3.27Å; N517-V519 WeakPolarHBondContact O-CG2 3.28Å; V519-I521 PolarHBondContact O-N 3.25Å; V519-V524 HydrophobicContact CB-CG2 3.98Å; V519-V524 HydrophobicContact CG1-CG2 3.78Å; V519-S543 WeakPolarHBondContact CA-OG 3.06Å; V519-S543 PolarHBondContact N-OG 3.14Å; V519-S543 VanDerWaalsContact O-CB 3.22Å; V519-S543 WeakPolarHBondContact O-CB 3.14Å; V519-S543 PolarHBondContact O-OG 3.32Å | ||
| 520 | D | 84.8 | Confident | 83.8 | Confident | 63 Ų | 63 | 39.2 Ų | 39.2 | 34% | 0.337 | 22% | 0.215 | S | C | . | . | trans | -62.2 | 146.6 | 177.8 | 146.5 | 77 | 0 | 0 | 0 | 115.1 | L369 P370 I371 I372 A522 T523 V524 S543 | L369-D520 CarbonylContact O-C 3.52Å; P370-D520 VanDerWaalsContact C-C 3.45Å; P370-D520 CarbonylContact C-O 3Å; P370-D520 WeakPolarHBondContact CA-O 3.31Å; P370-D520 WeakPolarHBondContact CB-O 3.29Å; I371-D520 CarbonylContact C-O 3.03Å; I371-D520 VanDerWaalsContact CA-O 3.29Å; I371-D520 WeakPolarHBondContact CA-O 3.43Å; I371-D520 VanDerWaalsContact N-N 3.18Å; I371-D520 PolarHBondContact N-O 3.24Å; I372-D520 VanDerWaalsContact C-CB 3.45Å; I372-D520 PolarHBondContact N-O 2.9Å; I372-D520 PolarHBondContact N-OD2 2.8Å; I372-D520 WeakPolarHBondContact O-CB 3.41Å; I372-D520 VanDerWaalsContact O-CG 3.22Å; D520-A522 VanDerWaalsContact C-N 3.33Å; D520-A522 PolarHBondContact O-N 2.9Å; D520-A522 PolarHBondContact OD1-N 2.86Å; D520-A522 WeakPolarHBondContact OD2-CB 3.3Å; D520-A522 PolarHBondContact OD2-N 3.34Å; D520-T523 WeakPolarHBondContact O-CB 3.35Å; D520-T523 PolarHBondContact O-N 3.36Å; D520-T523 VanDerWaalsContact O-N 3.15Å; D520-T523 WeakPolarHBondContact OD2-CB 3.35Å; D520-T523 PolarHBondContact OD2-N 3.27Å; D520-T523 PolarHBondContact OD2-OG1 3.16Å; D520-V524 PolarHBondContact O-N 3.3Å; D520-V524 VanDerWaalsContact O-N 3.13Å; D520-S543 WeakPolarHBondContact CB-O 3.48Å | ||
| 521 | I | 85.3 | Confident | 83.9 | Confident | 17.5 Ų | 17.5 | 42.4 Ų | 42.4 | 9% | 0.09 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.5 | -7.3 | -170.6 | -160 | 164.4 | 0 | 0 | 0 | 117 | L369 P370 V519 T523 V524 V525 I540 I545 L548 A552 L553 L563 | L369-I521 HydrophobicContact CB-CB 4.1Å; L369-I521 HydrophobicContact CB-CD1 3.99Å; L369-I521 HydrophobicContact CB-CG1 3.77Å; L369-I521 HydrophobicContact CD1-CD1 3.98Å; L369-I521 HydrophobicContact CD2-CD1 3.41Å; L369-I521 VanDerWaalsContact CD2-CD1 3.41Å; L369-I521 HydrophobicContact CD2-CG1 3.88Å; L369-I521 HydrophobicContact CG-CD1 3.96Å; L369-I521 HydrophobicContact CG-CG1 4.27Å; L369-I521 WeakPolarHBondContact O-CA 3.22Å; L369-I521 PolarHBondContact O-N 2.8Å; P370-I521 HydrophobicContact CG-CB 4.38Å; P370-I521 HydrophobicContact CG-CG1 3.94Å; P370-I521 VanDerWaalsContact CG-O 3.29Å; P370-I521 WeakPolarHBondContact CG-O 3.41Å; V519-I521 PolarHBondContact O-N 3.25Å; I521-T523 VanDerWaalsContact C-N 3.3Å; I521-T523 PolarHBondContact O-N 3.2Å; I521-V524 PolarHBondContact O-N 3.21Å; I521-V525 HydrophobicContact CG1-CG2 4.33Å; I521-V525 WeakPolarHBondContact O-CB 3.38Å; I521-V525 WeakPolarHBondContact O-CG2 3.21Å; I521-V525 PolarHBondContact O-N 3.18Å; I521-I540 HydrophobicContact CB-CD1 4.37Å; I521-I540 HydrophobicContact CD1-CD1 3.96Å; I521-I540 HydrophobicContact CG1-CD1 3.77Å; I521-I545 HydrophobicContact CB-CD1 3.92Å; I521-I545 HydrophobicContact CD1-CD1 3.85Å; I521-I545 HydrophobicContact CG1-CD1 4.49Å; I521-I545 HydrophobicContact CG2-CD1 4.2Å; I521-I545 HydrophobicContact CG2-CG2 4.4Å; I521-L548 HydrophobicContact CD1-CD1 3.45Å; I521-L548 HydrophobicContact CD1-CG 4.47Å; I521-A552 HydrophobicContact CD1-CB 3.27Å; I521-A552 HydrophobicContact CG1-CB 3.73Å; I521-L553 HydrophobicContact CD1-CD2 4.15Å; I521-L553 HydrophobicContact CG1-CD2 4.32Å; I521-L563 HydrophobicContact CD1-CD1 4.46Å; I521-L563 HydrophobicContact CD1-CD2 4.04Å |
| 522 | A | 84.8 | Confident | 83.6 | Confident | 62 Ų | 62 | 48.7 Ų | 48.7 | 51% | 0.512 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -76.8 | -46.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | P370 D520 K526 | P370-A522 VanDerWaalsContact CB-N 3.33Å; D520-A522 VanDerWaalsContact C-N 3.33Å; D520-A522 PolarHBondContact O-N 2.9Å; D520-A522 PolarHBondContact OD1-N 2.86Å; D520-A522 WeakPolarHBondContact OD2-CB 3.3Å; D520-A522 PolarHBondContact OD2-N 3.34Å; A522-K526 VanDerWaalsContact O-CB 3.23Å; A522-K526 WeakPolarHBondContact O-CB 3.36Å; A522-K526 PolarHBondContact O-N 3.28Å |
| 523 | T | 84.8 | Confident | 83 | Confident | 59 Ų | 59 | 49.8 Ų | 49.8 | 36% | 0.362 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -79.2 | -42.9 | -173.4 | -52.3 | 0 | 0 | 0 | 0 | 117.3 | P370 I371 P500 D520 I521 V525 K526 A527 | P370-T523 CarbonylContact O-C 3.06Å; P370-T523 WeakPolarHBondContact O-CA 3.25Å; P370-T523 PolarHBondContact O-N 2.96Å; I371-T523 HydrophobicContact CD1-CG2 3.38Å; I371-T523 HydrophobicContact CG1-CG2 3.92Å; I371-T523 WeakPolarHBondContact O-CB 3.2Å; I371-T523 PolarHBondContact O-N 3.3Å; I371-T523 PolarHBondContact O-OG1 2.65Å; I371-T523 VanDerWaalsContact O-OG1 3.07Å; P500-T523 HydrophobicContact CG-CG2 4.09Å; D520-T523 WeakPolarHBondContact O-CB 3.35Å; D520-T523 PolarHBondContact O-N 3.36Å; D520-T523 VanDerWaalsContact O-N 3.15Å; D520-T523 WeakPolarHBondContact OD2-CB 3.35Å; D520-T523 PolarHBondContact OD2-N 3.27Å; D520-T523 PolarHBondContact OD2-OG1 3.16Å; I521-T523 VanDerWaalsContact C-N 3.3Å; I521-T523 PolarHBondContact O-N 3.2Å; T523-V525 VanDerWaalsContact C-N 3.33Å; T523-V525 PolarHBondContact O-N 2.76Å; T523-K526 CarbonylContact O-C 3.51Å; T523-K526 WeakPolarHBondContact O-CA 3.15Å; T523-K526 VanDerWaalsContact O-CB 3.25Å; T523-K526 WeakPolarHBondContact O-CB 3.38Å; T523-K526 PolarHBondContact O-N 3.04Å; T523-K526 VanDerWaalsContact O-N 3.09Å; T523-A527 PolarHBondContact O-N 3.06Å |
| 524 | V | 86.4 | Confident | 82.4 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.8 | -38.1 | 174.8 | -173.7 | 0 | 0 | 0 | 0 | 112.6 | E368 P370 I371 P500 C503 V514 C516 V519 D520 I521 K526 A527 L528 L538 I540 | E368-V524 HydrophobicContact CG-CG1 4.08Å; P370-V524 VanDerWaalsContact C-CG2 3.43Å; P370-V524 VanDerWaalsContact CA-CB 3.45Å; P370-V524 VanDerWaalsContact CA-CG2 3.47Å; P370-V524 HydrophobicContact CB-CB 4.25Å; P370-V524 WeakPolarHBondContact O-CG2 3.44Å; P370-V524 PolarHBondContact O-N 2.77Å; I371-V524 HydrophobicContact CG1-CG2 4.22Å; P500-V524 HydrophobicContact CG-CG2 3.71Å; C503-V524 WeakPolarHBondContact SG-CG2 3.09Å; V514-V524 HydrophobicContact CG1-CG1 4.46Å; C516-V524 HydrophobicContact CB-CG2 4.22Å; C516-V524 WeakPolarHBondContact SG-CG1 3.25Å; C516-V524 WeakPolarHBondContact SG-CG2 3.43Å; V519-V524 HydrophobicContact CB-CG2 3.98Å; V519-V524 HydrophobicContact CG1-CG2 3.78Å; D520-V524 PolarHBondContact O-N 3.3Å; D520-V524 VanDerWaalsContact O-N 3.13Å; I521-V524 PolarHBondContact O-N 3.21Å; V524-K526 VanDerWaalsContact C-N 3.33Å; V524-K526 PolarHBondContact O-N 2.93Å; V524-A527 WeakPolarHBondContact O-CA 3.46Å; V524-A527 WeakPolarHBondContact O-CB 3.23Å; V524-A527 PolarHBondContact O-N 3.34Å; V524-L528 HydrophobicContact CG1-CD1 3.55Å; V524-L528 HydrophobicContact CG1-CG 4.49Å; V524-L528 WeakPolarHBondContact O-CG 3.43Å; V524-L528 PolarHBondContact O-N 3.08Å; V524-L528 VanDerWaalsContact O-N 3.15Å; V524-L538 HydrophobicContact CG1-CD1 4.06Å; V524-I540 HydrophobicContact CB-CD1 4.28Å; V524-I540 HydrophobicContact CG1-CD1 4.16Å; V524-I540 HydrophobicContact CG2-CD1 4.42Å |
| 525 | V | 85.7 | Confident | 82.1 | Confident | 17.5 Ų | 17.5 | 51.8 Ų | 51.8 | 11% | 0.106 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.8 | -52.7 | 172.5 | 167.2 | 0 | 0 | 0 | 0 | 108.2 | E368 P370 I521 T523 A527 L528 D529 A552 L553 S555 L556 | E368-V525 HydrophobicContact CB-CG2 4.19Å; P370-V525 VanDerWaalsContact CD-CG2 3.47Å; P370-V525 HydrophobicContact CG-CB 3.67Å; P370-V525 HydrophobicContact CG-CG2 3.23Å; P370-V525 VanDerWaalsContact CG-N 3.32Å; I521-V525 HydrophobicContact CG1-CG2 4.33Å; I521-V525 WeakPolarHBondContact O-CB 3.38Å; I521-V525 WeakPolarHBondContact O-CG2 3.21Å; I521-V525 PolarHBondContact O-N 3.18Å; T523-V525 VanDerWaalsContact C-N 3.33Å; T523-V525 PolarHBondContact O-N 2.76Å; V525-A527 PolarHBondContact O-N 3.21Å; V525-L528 CarbonylContact O-C 3.17Å; V525-L528 PolarHBondContact O-N 3.07Å; V525-D529 HydrophobicContact CG1-CB 4.33Å; V525-D529 WeakPolarHBondContact O-CA 3.16Å; V525-D529 VanDerWaalsContact O-CB 3.31Å; V525-D529 WeakPolarHBondContact O-CB 3.19Å; V525-D529 PolarHBondContact O-N 3.26Å; V525-A552 WeakPolarHBondContact CG2-O 3.42Å; V525-L553 HydrophobicContact CG2-CD2 3.79Å; V525-S555 WeakPolarHBondContact CG1-OG 3.48Å; V525-L556 HydrophobicContact CB-CD1 4.23Å; V525-L556 HydrophobicContact CG1-CD1 4.13Å; V525-L556 HydrophobicContact CG1-CD2 4.46Å; V525-L556 HydrophobicContact CG1-CG 4.29Å; V525-L556 HydrophobicContact CG2-CD1 3.59Å; V525-L556 VanDerWaalsContact CG2-CD1 3.42Å; V525-L556 HydrophobicContact CG2-CG 4.39Å |
| 526 | K | 84.5 | Confident | 81.9 | Confident | 170.5 Ų | 170.5 | 51 Ų | 51 | 74% | 0.741 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62.8 | -16.7 | 178.8 | -171 | 177.3 | -176.7 | 179.9 | 0 | 114.6 | A522 T523 V524 | A522-K526 VanDerWaalsContact O-CB 3.23Å; A522-K526 WeakPolarHBondContact O-CB 3.36Å; A522-K526 PolarHBondContact O-N 3.28Å; T523-K526 CarbonylContact O-C 3.51Å; T523-K526 WeakPolarHBondContact O-CA 3.15Å; T523-K526 VanDerWaalsContact O-CB 3.25Å; T523-K526 WeakPolarHBondContact O-CB 3.38Å; T523-K526 PolarHBondContact O-N 3.04Å; T523-K526 VanDerWaalsContact O-N 3.09Å; V524-K526 VanDerWaalsContact C-N 3.33Å; V524-K526 PolarHBondContact O-N 2.93Å |
| 527 | A | 83.2 | Confident | 81.9 | Confident | 9.5 Ų | 9.5 | 52.4 Ų | 52.4 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -86.8 | -31.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P496 H498 T523 V524 V525 | P496-A527 WeakPolarHBondContact CG-O 3.01Å; H498-A527 VanDerWaalsContact O-CB 3.31Å; H498-A527 WeakPolarHBondContact O-CB 3.24Å; T523-A527 PolarHBondContact O-N 3.06Å; V524-A527 WeakPolarHBondContact O-CA 3.46Å; V524-A527 WeakPolarHBondContact O-CB 3.23Å; V524-A527 PolarHBondContact O-N 3.34Å; V525-A527 PolarHBondContact O-N 3.21Å |
| 528 | L | 84.2 | Confident | 82 | Confident | 4.5 Ų | 4.5 | 51 Ų | 51 | 2% | 0.024 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -103.6 | -12.5 | -176.6 | -68.9 | 150.1 | 0 | 0 | 0 | 114.1 | E368 P496 I499 I512 V514 V524 V525 K530 V533 V535 L538 L556 | E368-L528 HydrophobicContact CG-CB 3.9Å; E368-L528 HydrophobicContact CG-CD1 4.18Å; E368-L528 WeakPolarHBondContact OE1-CD1 3.14Å; P496-L528 HydrophobicContact CG-CD2 3.98Å; P496-L528 HydrophobicContact CG-CG 3.84Å; I499-L528 HydrophobicContact CD1-CD1 4.04Å; I499-L528 HydrophobicContact CD1-CD2 3.99Å; I499-L528 HydrophobicContact CD1-CG 4.18Å; I499-L528 HydrophobicContact CG1-CD1 3.85Å; I499-L528 HydrophobicContact CG1-CD2 4.4Å; I499-L528 HydrophobicContact CG1-CG 4.12Å; I512-L528 HydrophobicContact CD1-CD2 3.59Å; V514-L528 HydrophobicContact CG1-CD1 4.24Å; V514-L528 HydrophobicContact CG2-CD1 4.1Å; V514-L528 HydrophobicContact CG2-CD2 3.85Å; V514-L528 HydrophobicContact CG2-CG 4.38Å; V524-L528 HydrophobicContact CG1-CD1 3.55Å; V524-L528 HydrophobicContact CG1-CG 4.49Å; V524-L528 WeakPolarHBondContact O-CG 3.43Å; V524-L528 PolarHBondContact O-N 3.08Å; V524-L528 VanDerWaalsContact O-N 3.15Å; V525-L528 CarbonylContact O-C 3.17Å; V525-L528 PolarHBondContact O-N 3.07Å; L528-K530 VanDerWaalsContact C-N 3.26Å; L528-K530 PolarHBondContact O-N 3.23Å; L528-V533 HydrophobicContact CB-CG1 4.47Å; L528-V533 HydrophobicContact CD2-CG1 4.18Å; L528-V535 HydrophobicContact CD1-CG2 4.43Å; L528-L538 HydrophobicContact CD1-CD1 4.06Å; L528-L556 HydrophobicContact CB-CD2 3.98Å |
| 529 | D | 80.5 | Confident | 82.4 | Confident | 85.5 Ų | 85.5 | 47 Ų | 47 | 46% | 0.457 | 26% | 0.259 | S | S | . | . | trans | -68.2 | 74.2 | 164.8 | -167.1 | -9.7 | 0 | 0 | 0 | 110 | V525 S555 L556 | V525-D529 HydrophobicContact CG1-CB 4.33Å; V525-D529 WeakPolarHBondContact O-CA 3.16Å; V525-D529 VanDerWaalsContact O-CB 3.31Å; V525-D529 WeakPolarHBondContact O-CB 3.19Å; V525-D529 PolarHBondContact O-N 3.26Å; D529-S555 VanDerWaalsContact CG-CB 3.4Å; D529-S555 WeakPolarHBondContact OD2-CB 3.27Å; D529-S555 PolarHBondContact OD2-OG 3.15Å; D529-L556 HydrophobicContact CB-CD2 4.45Å | ||
| 530 | K | 76.8 | Confident | 82.7 | Confident | 87.5 Ų | 87.5 | 46.7 Ų | 46.7 | 38% | 0.38 | 26% | 0.257 | S | S | . | . | trans | -136.8 | 138.5 | 176.8 | -63.1 | -114.9 | -171.9 | 175.9 | 0 | 108.7 | P496 D497 L528 N532 V533 | P496-K530 HydrophobicContact CB-CD 3.82Å; D497-K530 IonicContact OD2-NZ 2.7Å; L528-K530 VanDerWaalsContact C-N 3.26Å; L528-K530 PolarHBondContact O-N 3.23Å; K530-N532 PolarHBondContact O-N 3.35Å; K530-V533 HydrophobicContact CB-CB 4.15Å; K530-V533 HydrophobicContact CB-CG2 3.83Å; K530-V533 HydrophobicContact CG-CG2 4.37Å; K530-V533 PolarHBondContact O-N 3.13Å; K530-V533 VanDerWaalsContact O-N 3.11Å | ||
| 531 | P | 69.1 | Low | 82.8 | Confident | 123.5 Ų | 123.5 | 44.4 Ų | 44.4 | 80% | 0.802 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | 61.3 | -178.5 | 24.2 | -34.2 | 0 | 0 | 0 | 113 | V533 | P531-V533 VanDerWaalsContact C-N 3.32Å; P531-V533 PolarHBondContact O-N 3.36Å |
| 532 | N | 68.3 | Low | 82.7 | Confident | 133 Ų | 133 | 45.1 Ų | 45.1 | 71% | 0.711 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -15.9 | 8.2 | -177.7 | -55.2 | -8.8 | 0 | 0 | 0 | 115 | K530 | K530-N532 PolarHBondContact O-N 3.35Š|
| 533 | V | 72.6 | Confident | 82.6 | Confident | 23 Ų | 23 | 42.6 Ų | 42.6 | 14% | 0.139 | 23% | 0.227 | C | C | . | . | trans | -95.2 | 121.8 | 175.4 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | P496 I512 L528 K530 P531 V535 | P496-V533 HydrophobicContact CG-CG2 4.29Å; I512-V533 HydrophobicContact CD1-CG1 3.63Å; I512-V533 HydrophobicContact CG1-CG1 4.29Å; L528-V533 HydrophobicContact CB-CG1 4.47Å; L528-V533 HydrophobicContact CD2-CG1 4.18Å; K530-V533 HydrophobicContact CB-CB 4.15Å; K530-V533 HydrophobicContact CB-CG2 3.83Å; K530-V533 HydrophobicContact CG-CG2 4.37Å; K530-V533 PolarHBondContact O-N 3.13Å; K530-V533 VanDerWaalsContact O-N 3.11Å; P531-V533 VanDerWaalsContact C-N 3.32Å; P531-V533 PolarHBondContact O-N 3.36Å; V533-V535 HydrophobicContact CG1-CG2 4.13Å | ||
| 534 | V | 77.3 | Confident | 82.5 | Confident | 58 Ų | 58 | 44.6 Ų | 44.6 | 35% | 0.352 | 24% | 0.236 | S | C | . | . | trans | -124.8 | 130.6 | 171.9 | -173.8 | 0 | 0 | 0 | 0 | 109 | G511 I512 | G511-V534 CarbonylContact C-O 3.03Å; G511-V534 VanDerWaalsContact CA-O 3.26Å; G511-V534 WeakPolarHBondContact CA-O 3.34Å; I512-V534 WeakPolarHBondContact CG1-O 3.31Å; I512-V534 PolarHBondContact N-O 3.13Å | ||
| 535 | V | 81.1 | Confident | 82.5 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 117.7 | -170.5 | -170.4 | 0 | 0 | 0 | 0 | 111 | I512 L528 V533 K537 L538 K557 V558 K559 | I512-V535 HydrophobicContact CD1-CG2 4.12Å; I512-V535 HydrophobicContact CG1-CB 4.22Å; I512-V535 HydrophobicContact CG1-CG1 4.19Å; I512-V535 HydrophobicContact CG1-CG2 3.85Å; I512-V535 CarbonylContact O-C 3.39Å; I512-V535 WeakPolarHBondContact O-CG1 3.15Å; L528-V535 HydrophobicContact CD1-CG2 4.43Å; V533-V535 HydrophobicContact CG1-CG2 4.13Å; V535-K537 VanDerWaalsContact CG1-O 3.22Å; V535-K537 WeakPolarHBondContact CG1-O 3.25Å; V535-L538 HydrophobicContact CB-CD1 4Å; V535-L538 HydrophobicContact CB-CD2 3.56Å; V535-L538 HydrophobicContact CB-CG 4.35Å; V535-L538 HydrophobicContact CG1-CB 4.23Å; V535-L538 HydrophobicContact CG1-CD1 3.14Å; V535-L538 HydrophobicContact CG1-CD2 3.56Å; V535-L538 HydrophobicContact CG1-CG 3.81Å; V535-L538 HydrophobicContact CG2-CD1 4.13Å; V535-L538 HydrophobicContact CG2-CD2 3.84Å; V535-K557 PolarHBondContact N-O 3.11Å; V535-K557 VanDerWaalsContact N-O 3.1Å; V535-V558 HydrophobicContact CB-CG2 3.89Å; V535-V558 HydrophobicContact CG1-CG2 4.09Å; V535-V558 HydrophobicContact CG2-CG2 4.46Å; V535-V558 CarbonylContact O-C 3.49Å; V535-V558 VanDerWaalsContact O-CA 3.29Å; V535-V558 WeakPolarHBondContact O-CA 3.35Å; V535-K559 WeakPolarHBondContact O-CB 3.16Å; V535-K559 PolarHBondContact O-N 3.37Å |
| 536 | D | 86 | Confident | 82.4 | Confident | 18 Ų | 18 | 46.8 Ų | 46.8 | 10% | 0.096 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | -41.8 | 174 | -174.6 | 79.5 | 0 | 0 | 0 | 111.4 | I512 K559 R560 | I512-D536 PolarHBondContact O-N 2.94Å; D536-K559 WeakPolarHBondContact OD1-CD 3.34Å; D536-K559 WeakPolarHBondContact OD1-CE 3.41Å; D536-K559 IonicContact OD1-NZ 3.26Å; D536-K559 PolarHBondContact OD1-NZ 3.3Å; D536-R560 VanDerWaalsContact O-CB 3.25Å; D536-R560 WeakPolarHBondContact O-CB 3.25Å; D536-R560 WeakPolarHBondContact O-CD 3.28Å; D536-R560 VanDerWaalsContact O-CG 3.28Å; D536-R560 WeakPolarHBondContact O-CG 3.42Å; D536-R560 PolarHBondContact O-N 2.91Å; D536-R560 VanDerWaalsContact O-N 3.14Å; D536-R560 IonicContact OD1-NH1 3.49Å; D536-R560 PolarHBondContact OD1-NH1 3.01Å; D536-R560 IonicContact OD2-CZ 2.78Å; D536-R560 IonicContact OD2-NH1 2.92Å; D536-R560 PolarHBondContact OD2-NH1 2.97Å |
| 537 | K | 89.3 | Confident | 82.6 | Confident | 29 Ų | 29 | 41.1 Ų | 41.1 | 13% | 0.126 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 139.2 | 177 | -171.2 | 164.4 | -167.4 | 160.8 | 0 | 114.1 | T364 I365 E385 I512 S513 V514 V535 R560 D562 E585 | T364-K537 HydrophobicContact CG2-CD 4.24Å; I365-K537 HydrophobicContact CB-CB 3.86Å; I365-K537 HydrophobicContact CB-CD 4.28Å; I365-K537 HydrophobicContact CB-CG 3.83Å; I365-K537 HydrophobicContact CD1-CB 3.75Å; I365-K537 HydrophobicContact CD1-CD 4.02Å; I365-K537 HydrophobicContact CD1-CG 4.19Å; I365-K537 HydrophobicContact CG1-CB 4.38Å; I365-K537 HydrophobicContact CG2-CB 3.95Å; I365-K537 HydrophobicContact CG2-CG 4.37Å; I365-K537 WeakPolarHBondContact CG2-O 3.36Å; E385-K537 WeakPolarHBondContact OE1-CD 3.34Å; E385-K537 WeakPolarHBondContact OE1-CE 3.41Å; E385-K537 IonicContact OE1-NZ 2.74Å; E385-K537 PolarHBondContact OE1-NZ 3.33Å; I512-K537 PolarHBondContact O-N 3.39Å; S513-K537 CarbonylContact C-O 3.44Å; S513-K537 VanDerWaalsContact CA-O 3.29Å; S513-K537 WeakPolarHBondContact CA-O 3.34Å; V514-K537 PolarHBondContact N-O 3.39Å; V535-K537 VanDerWaalsContact CG1-O 3.22Å; V535-K537 WeakPolarHBondContact CG1-O 3.25Å; K537-R560 CarbonylContact C-O 3.32Å; K537-R560 WeakPolarHBondContact CA-O 3.41Å; K537-R560 HydrophobicContact CB-CB 3.95Å; K537-R560 HydrophobicContact CD-CB 4.03Å; K537-R560 HydrophobicContact CG-CB 3.83Å; K537-D562 IonicContact NZ-OD2 3.87Å; K537-D562 PolarHBondContact NZ-OD2 3.13Å; K537-E585 IonicContact NZ-OE2 3.99Å; K537-E585 PolarHBondContact NZ-OE2 2.95Å |
| 538 | L | 89.8 | Confident | 82.9 | Confident | 0.5 Ų | 0.5 | 40.7 Ų | 40.7 | 0% | 0.003 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 110.6 | -175.4 | -147.7 | 42 | 0 | 0 | 0 | 109.6 | I365 P367 E368 V514 V524 L528 V535 I540 L556 V558 R560 L561 D562 | I365-L538 CarbonylContact O-C 3.11Å; I365-L538 WeakPolarHBondContact O-CA 3.08Å; I365-L538 PolarHBondContact O-N 2.85Å; P367-L538 HydrophobicContact CB-CB 3.39Å; P367-L538 HydrophobicContact CB-CD1 3.7Å; P367-L538 HydrophobicContact CB-CD2 4.45Å; P367-L538 HydrophobicContact CB-CG 3.21Å; P367-L538 HydrophobicContact CG-CB 4.36Å; E368-L538 WeakPolarHBondContact OE1-CD1 3.5Å; E368-L538 WeakPolarHBondContact OE2-CD2 3.3Å; V514-L538 HydrophobicContact CB-CD1 3.86Å; V514-L538 HydrophobicContact CG1-CD1 4.14Å; V514-L538 HydrophobicContact CG2-CD1 3.86Å; V524-L538 HydrophobicContact CG1-CD1 4.06Å; L528-L538 HydrophobicContact CD1-CD1 4.06Å; V535-L538 HydrophobicContact CB-CD1 4Å; V535-L538 HydrophobicContact CB-CD2 3.56Å; V535-L538 HydrophobicContact CB-CG 4.35Å; V535-L538 HydrophobicContact CG1-CB 4.23Å; V535-L538 HydrophobicContact CG1-CD1 3.14Å; V535-L538 HydrophobicContact CG1-CD2 3.56Å; V535-L538 HydrophobicContact CG1-CG 3.81Å; V535-L538 HydrophobicContact CG2-CD1 4.13Å; V535-L538 HydrophobicContact CG2-CD2 3.84Å; L538-I540 HydrophobicContact CD1-CD1 4.35Å; L538-I540 HydrophobicContact CD1-CG1 4.03Å; L538-I540 HydrophobicContact CD2-CD1 4.32Å; L538-I540 HydrophobicContact CG-CD1 4.39Å; L538-I540 HydrophobicContact CG-CG1 4.22Å; L538-L556 HydrophobicContact CD2-CD1 3.94Å; L538-V558 HydrophobicContact CB-CG1 4.03Å; L538-V558 HydrophobicContact CB-CG2 4.17Å; L538-V558 HydrophobicContact CD2-CB 3.64Å; L538-V558 HydrophobicContact CD2-CG1 3.32Å; L538-V558 HydrophobicContact CD2-CG2 3.85Å; L538-V558 HydrophobicContact CG-CG1 4.21Å; L538-R560 CarbonylContact C-O 3.4Å; L538-R560 WeakPolarHBondContact CA-O 3.3Å; L538-R560 WeakPolarHBondContact CB-O 3.36Å; L538-R560 PolarHBondContact N-O 3.08Å; L538-R560 VanDerWaalsContact O-O 3.05Å; L538-L561 HydrophobicContact CB-CD1 4.28Å; L538-L561 HydrophobicContact CD2-CD1 4.06Å; L538-L561 HydrophobicContact CG-CD1 4.23Å; L538-L561 CarbonylContact O-C 3.25Å; L538-L561 VanDerWaalsContact O-C 3.23Å; L538-L561 WeakPolarHBondContact O-CA 3.41Å; L538-D562 PolarHBondContact O-N 3.02Å |
| 539 | K | 92.1 | Very high | 83 | Confident | 16.5 Ų | 16.5 | 44.7 Ų | 44.7 | 7% | 0.072 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 109.9 | 179.6 | 146.5 | -179.1 | -146 | -142.3 | 0 | 114.7 | W360 P361 I362 T364 I365 N366 P367 V514 H515 C516 E541 D562 | W360-K539 HydrophobicContact CE3-CD 4.14Å; W360-K539 HydrophobicContact CE3-CG 4.06Å; W360-K539 HydrophobicContact CH2-CB 3.34Å; W360-K539 HydrophobicContact CH2-CD 4.33Å; W360-K539 HydrophobicContact CH2-CG 3.55Å; W360-K539 HydrophobicContact CZ2-CB 4.48Å; W360-K539 HydrophobicContact CZ3-CB 3.45Å; W360-K539 VanDerWaalsContact CZ3-CB 3.45Å; W360-K539 HydrophobicContact CZ3-CD 3.58Å; W360-K539 HydrophobicContact CZ3-CG 3.27Å; P361-K539 PolarHBondContact O-NZ 3.43Å; I362-K539 VanDerWaalsContact CA-NZ 3.34Å; T364-K539 WeakPolarHBondContact O-CD 3.23Å; T364-K539 PolarHBondContact O-NZ 2.72Å; T364-K539 WeakPolarHBondContact OG1-CD 2.98Å; T364-K539 WeakPolarHBondContact OG1-CE 3.46Å; T364-K539 PolarHBondContact OG1-NZ 2.91Å; I365-K539 VanDerWaalsContact C-CG 3.45Å; I365-K539 WeakPolarHBondContact O-CA 3.31Å; I365-K539 WeakPolarHBondContact O-CB 3.31Å; I365-K539 WeakPolarHBondContact O-CG 3.3Å; I365-K539 PolarHBondContact O-N 2.61Å; N366-K539 WeakPolarHBondContact CA-O 3.48Å; N366-K539 HydrophobicContact CB-CG 4.36Å; N366-K539 WeakPolarHBondContact CB-O 3.07Å; N366-K539 PolarHBondContact OD1-O 2.75Å; P367-K539 VanDerWaalsContact CD-N 3.33Å; P367-K539 WeakPolarHBondContact CD-O 3.33Å; V514-K539 PolarHBondContact O-N 2.92Å; H515-K539 CarbonylContact C-O 3.51Å; H515-K539 WeakPolarHBondContact CA-O 3.14Å; H515-K539 PolarHBondContact NE2-NZ 2.96Å; H515-K539 VanDerWaalsContact NE2-NZ 3.13Å; C516-K539 PolarHBondContact N-O 3.19Å; K539-E541 WeakPolarHBondContact CE-OE1 3.04Å; K539-E541 WeakPolarHBondContact CE-OE2 3.07Å; K539-E541 HydrophobicContact CG-CG 4.14Å; K539-E541 IonicContact NZ-OE1 3.05Å; K539-E541 PolarHBondContact NZ-OE1 3.49Å; K539-E541 IonicContact NZ-OE2 3.31Å; K539-E541 PolarHBondContact NZ-OE2 3.23Å; K539-E541 PolarHBondContact O-N 2.93Å; K539-E541 VanDerWaalsContact O-N 3.13Å; K539-D562 CarbonylContact C-O 3.38Å; K539-D562 VanDerWaalsContact CA-O 3.27Å; K539-D562 WeakPolarHBondContact CA-O 3.43Å; K539-D562 HydrophobicContact CB-CB 3.74Å; K539-D562 VanDerWaalsContact CB-CB 3.46Å; K539-D562 WeakPolarHBondContact CD-OD2 3.28Å; K539-D562 HydrophobicContact CG-CB 3.91Å |
| 540 | I | 89.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 125 | -178.1 | -47.2 | 122.9 | 0 | 0 | 0 | 109.1 | W360 P367 L369 C516 I521 V524 L538 S543 I545 D562 L563 N566 | W360-I540 WeakPolarHBondContact CZ2-O 3.28Å; W360-I540 PolarHBondContact NE1-O 3.2Å; P367-I540 HydrophobicContact CG-CB 4.19Å; P367-I540 HydrophobicContact CG-CD1 3.49Å; P367-I540 VanDerWaalsContact CG-CD1 3.49Å; P367-I540 HydrophobicContact CG-CG1 3.43Å; P367-I540 VanDerWaalsContact CG-CG1 3.43Å; L369-I540 HydrophobicContact CB-CD1 3.98Å; L369-I540 HydrophobicContact CB-CG1 3.39Å; L369-I540 HydrophobicContact CD1-CD1 3.54Å; L369-I540 HydrophobicContact CD1-CG1 3.78Å; L369-I540 HydrophobicContact CG-CD1 3.35Å; L369-I540 HydrophobicContact CG-CG1 3.4Å; C516-I540 HydrophobicContact CB-CG1 4.34Å; C516-I540 WeakPolarHBondContact O-CA 3.29Å; I521-I540 HydrophobicContact CB-CD1 4.37Å; I521-I540 HydrophobicContact CD1-CD1 3.96Å; I521-I540 HydrophobicContact CG1-CD1 3.77Å; V524-I540 HydrophobicContact CB-CD1 4.28Å; V524-I540 HydrophobicContact CG1-CD1 4.16Å; V524-I540 HydrophobicContact CG2-CD1 4.42Å; L538-I540 HydrophobicContact CD1-CD1 4.35Å; L538-I540 HydrophobicContact CD1-CG1 4.03Å; L538-I540 HydrophobicContact CD2-CD1 4.32Å; L538-I540 HydrophobicContact CG-CD1 4.39Å; L538-I540 HydrophobicContact CG-CG1 4.22Å; I540-S543 VanDerWaalsContact CG2-CB 3.43Å; I540-S543 VanDerWaalsContact CG2-OG 3.3Å; I540-S543 WeakPolarHBondContact CG2-OG 3.35Å; I540-I545 HydrophobicContact CG1-CD1 4.36Å; I540-I545 HydrophobicContact CG2-CD1 4.3Å; I540-D562 WeakPolarHBondContact CD1-O 3.34Å; I540-D562 PolarHBondContact N-O 3.15Å; I540-L563 HydrophobicContact CB-CD2 3.89Å; I540-L563 HydrophobicContact CD1-CB 3.67Å; I540-L563 HydrophobicContact CD1-CD2 3.55Å; I540-L563 HydrophobicContact CD1-CG 3.88Å; I540-L563 HydrophobicContact CG1-CD2 4.33Å; I540-N566 WeakPolarHBondContact CG2-OD1 3.33Å; I540-N566 VanDerWaalsContact O-CG 3.25Å; I540-N566 PolarHBondContact O-ND2 3.23Å; I540-N566 PolarHBondContact O-OD1 3.3Å; I540-N566 VanDerWaalsContact O-OD1 3.14Å |
| 541 | E | 87.3 | Confident | 83.2 | Confident | 15 Ų | 15 | 40.7 Ų | 40.7 | 7% | 0.07 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 144.7 | 174.2 | 52.1 | 178.2 | 117.8 | 0 | 0 | 110 | R330 L357 W360 N366 H515 C516 N517 Q518 K539 S543 N566 | R330-E541 IonicContact CZ-OE2 3.66Å; R330-E541 VanDerWaalsContact CZ-OE2 3.3Å; R330-E541 IonicContact NE-OE2 3.64Å; R330-E541 PolarHBondContact NE-OE2 3.4Å; R330-E541 VanDerWaalsContact NH2-CD 3.34Å; R330-E541 VanDerWaalsContact NH2-CG 3.28Å; R330-E541 IonicContact NH2-OE2 2.68Å; R330-E541 PolarHBondContact NH2-OE2 3.3Å; L357-E541 HydrophobicContact CB-CB 3.57Å; L357-E541 HydrophobicContact CD2-CB 3.07Å; L357-E541 HydrophobicContact CD2-CG 3.16Å; L357-E541 WeakPolarHBondContact CD2-OE2 2.82Å; L357-E541 VanDerWaalsContact CG-C 3.44Å; L357-E541 HydrophobicContact CG-CB 3.4Å; L357-E541 HydrophobicContact CG-CG 4.1Å; W360-E541 HydrophobicContact CB-CB 3.91Å; W360-E541 HydrophobicContact CB-CG 4.37Å; W360-E541 WeakPolarHBondContact CB-OE1 3.32Å; W360-E541 VanDerWaalsContact CD1-CB 3.41Å; W360-E541 HydrophobicContact CD2-CB 3.4Å; W360-E541 HydrophobicContact CD2-CG 3.79Å; W360-E541 VanDerWaalsContact CE2-CB 3.46Å; W360-E541 HydrophobicContact CE3-CB 4.14Å; W360-E541 HydrophobicContact CE3-CG 4.02Å; W360-E541 HydrophobicContact CG-CB 3.28Å; W360-E541 HydrophobicContact CG-CG 3.99Å; W360-E541 VanDerWaalsContact CG-OE1 3.28Å; W360-E541 HydrophobicContact CZ2-CB 4.22Å; W360-E541 HydrophobicContact CZ3-CG 4.49Å; N366-E541 WeakPolarHBondContact OD1-CG 3.32Å; N366-E541 PolarHBondContact OD1-N 3.31Å; H515-E541 IonicContact CD2-OE1 2.79Å; H515-E541 IonicContact CD2-OE2 3.32Å; H515-E541 IonicContact CE1-OE1 2.92Å; H515-E541 PolarHBondContact CE1-OE1 3.07Å; H515-E541 IonicContact CE1-OE2 2.73Å; H515-E541 PolarHBondContact CE1-OE2 3.23Å; H515-E541 IonicContact NE2-OE1 3.67Å; H515-E541 PolarHBondContact NE2-OE1 3.5Å; H515-E541 IonicContact NE2-OE2 2.89Å; H515-E541 PolarHBondContact NE2-OE2 2.85Å; C516-E541 PolarHBondContact O-N 2.92Å; N517-E541 WeakPolarHBondContact CA-O 3.21Å; N517-E541 HydrophobicContact CB-CG 4.14Å; N517-E541 PolarHBondContact OD1-O 3.36Å; Q518-E541 PolarHBondContact N-O 3.22Å; K539-E541 WeakPolarHBondContact CE-OE1 3.04Å; K539-E541 WeakPolarHBondContact CE-OE2 3.07Å; K539-E541 HydrophobicContact CG-CG 4.14Å; K539-E541 IonicContact NZ-OE1 3.05Å; K539-E541 PolarHBondContact NZ-OE1 3.49Å; K539-E541 IonicContact NZ-OE2 3.31Å; K539-E541 PolarHBondContact NZ-OE2 3.23Å; K539-E541 PolarHBondContact O-N 2.93Å; K539-E541 VanDerWaalsContact O-N 3.13Å; E541-S543 PolarHBondContact O-N 3.07Å; E541-S543 PolarHBondContact O-OG 2.98Å; E541-N566 VanDerWaalsContact C-OD1 3.26Å; E541-N566 WeakPolarHBondContact CA-OD1 3.38Å |
| 542 | N | 83.2 | Confident | 83.7 | Confident | 32 Ų | 32 | 36 Ų | 36 | 17% | 0.171 | 22% | 0.217 | C | C | . | . | S | Bend | trans | 73.2 | 11.9 | 178.5 | -74.7 | -27.3 | 0 | 0 | 0 | 118.4 | C322 P356 L357 E376 S377 N517 Q518 N544 G565 N566 | C322-N542 PolarHBondContact O-ND2 3.08Å; P356-N542 WeakPolarHBondContact CD-OD1 3.49Å; P356-N542 WeakPolarHBondContact CG-O 3.43Å; P356-N542 PolarHBondContact O-N 3.1Å; L357-N542 HydrophobicContact CD1-CB 3.91Å; L357-N542 WeakPolarHBondContact CD1-ND2 3.02Å; L357-N542 WeakPolarHBondContact CD1-OD1 3.41Å; L357-N542 HydrophobicContact CG-CB 3.75Å; L357-N542 VanDerWaalsContact CG-CG 3.41Å; L357-N542 WeakPolarHBondContact CG-OD1 3.45Å; L357-N542 PolarHBondContact N-OD1 2.99Å; E376-N542 VanDerWaalsContact CA-CG 3.43Å; E376-N542 VanDerWaalsContact CA-ND2 3.26Å; E376-N542 WeakPolarHBondContact CA-ND2 2.9Å; E376-N542 WeakPolarHBondContact CA-OD1 3.43Å; E376-N542 VanDerWaalsContact CD-ND2 3.3Å; E376-N542 WeakPolarHBondContact CG-ND2 3.46Å; E376-N542 PolarHBondContact O-ND2 2.74Å; E376-N542 PolarHBondContact O-OD1 2.73Å; E376-N542 PolarHBondContact OE1-ND2 3.49Å; S377-N542 WeakPolarHBondContact CA-OD1 3.17Å; S377-N542 PolarHBondContact N-OD1 3.23Å; N517-N542 WeakPolarHBondContact OD1-CB 3.16Å; N517-N542 PolarHBondContact OD1-ND2 3.26Å; Q518-N542 WeakPolarHBondContact CA-O 3.22Å; Q518-N542 HydrophobicContact CB-CB 4.1Å; Q518-N542 HydrophobicContact CG-CB 3.95Å; N542-N544 VanDerWaalsContact C-N 3.33Å; N542-N544 PolarHBondContact O-N 3.16Å; N542-G565 WeakPolarHBondContact CA-O 3.37Å; N542-G565 PolarHBondContact N-O 2.83Å; N542-N566 PolarHBondContact N-OD1 3.06Å |
| 543 | S | 82.1 | Confident | 84.4 | Confident | 8.5 Ų | 8.5 | 30 Ų | 30 | 6% | 0.059 | 19% | 0.185 | C | C | . | . | trans | -92.1 | 4.4 | -167.2 | -59.9 | 0 | 0 | 0 | 0 | 115.2 | Q518 V519 D520 I540 E541 I545 N566 | Q518-S543 PolarHBondContact N-OG 3.39Å; V519-S543 WeakPolarHBondContact CA-OG 3.06Å; V519-S543 PolarHBondContact N-OG 3.14Å; V519-S543 VanDerWaalsContact O-CB 3.22Å; V519-S543 WeakPolarHBondContact O-CB 3.14Å; V519-S543 PolarHBondContact O-OG 3.32Å; D520-S543 WeakPolarHBondContact CB-O 3.48Å; I540-S543 VanDerWaalsContact CG2-CB 3.43Å; I540-S543 VanDerWaalsContact CG2-OG 3.3Å; I540-S543 WeakPolarHBondContact CG2-OG 3.35Å; E541-S543 PolarHBondContact O-N 3.07Å; E541-S543 PolarHBondContact O-OG 2.98Å; S543-I545 PolarHBondContact O-N 2.96Å; S543-N566 WeakPolarHBondContact CB-OD1 3.3Å; S543-N566 PolarHBondContact N-OD1 2.98Å | ||
| 544 | N | 82.5 | Confident | 84.6 | Confident | 102 Ų | 102 | 31.6 Ų | 31.6 | 55% | 0.545 | 20% | 0.197 | S | C | . | . | trans | 45.4 | 69.5 | 175.6 | -166.4 | 24.3 | 0 | 0 | 0 | 113 | P356 G374 N542 P546 N566 | P356-N544 HydrophobicContact CB-CB 4.33Å; P356-N544 VanDerWaalsContact CB-N 3.32Å; P356-N544 VanDerWaalsContact CG-CA 3.45Å; P356-N544 HydrophobicContact CG-CB 3.47Å; P356-N544 VanDerWaalsContact CG-CB 3.47Å; G374-N544 WeakPolarHBondContact O-CB 3.4Å; G374-N544 PolarHBondContact O-ND2 2.95Å; N542-N544 VanDerWaalsContact C-N 3.33Å; N542-N544 PolarHBondContact O-N 3.16Å; N544-P546 WeakPolarHBondContact O-CD 3.3Å; N544-N566 CarbonylContact C-O 3.56Å; N544-N566 VanDerWaalsContact CA-O 3.31Å; N544-N566 WeakPolarHBondContact CA-O 3.33Å | ||
| 545 | I | 86.3 | Confident | 84.5 | Confident | 7 Ų | 7 | 30.9 Ų | 30.9 | 4% | 0.036 | 19% | 0.194 | C | C | . | . | trans | -107.6 | 75.3 | -171.6 | -51.1 | 175 | 0 | 0 | 0 | 107.8 | L369 I521 I540 S543 T547 L548 N566 I568 | L369-I545 HydrophobicContact CB-CD1 3.54Å; L369-I545 HydrophobicContact CD1-CD1 3.49Å; L369-I545 VanDerWaalsContact CD1-CD1 3.49Å; L369-I545 HydrophobicContact CD1-CG2 4.49Å; L369-I545 HydrophobicContact CG-CD1 4.14Å; I521-I545 HydrophobicContact CB-CD1 3.92Å; I521-I545 HydrophobicContact CD1-CD1 3.85Å; I521-I545 HydrophobicContact CG1-CD1 4.49Å; I521-I545 HydrophobicContact CG2-CD1 4.2Å; I521-I545 HydrophobicContact CG2-CG2 4.4Å; I540-I545 HydrophobicContact CG1-CD1 4.36Å; I540-I545 HydrophobicContact CG2-CD1 4.3Å; S543-I545 PolarHBondContact O-N 2.96Å; I545-T547 PolarHBondContact O-N 3.15Å; I545-T547 VanDerWaalsContact O-N 3.13Å; I545-L548 HydrophobicContact CG2-CB 4.12Å; I545-L548 HydrophobicContact CG2-CD1 4.4Å; I545-N566 HydrophobicContact CB-CB 4.3Å; I545-N566 HydrophobicContact CD1-CB 4.15Å; I545-N566 HydrophobicContact CG1-CB 4.21Å; I545-N566 PolarHBondContact N-O 3.2Å; I545-I568 HydrophobicContact CB-CG1 4.15Å; I545-I568 HydrophobicContact CG2-CG1 4.46Å; I545-I568 WeakPolarHBondContact O-CA 3.3Å; I545-I568 WeakPolarHBondContact O-CB 3.49Å; I545-I568 VanDerWaalsContact O-CG1 3.27Å; I545-I568 WeakPolarHBondContact O-CG1 3.34Å | ||
| 546 | P | 85.1 | Confident | 84.2 | Confident | 57.5 Ų | 57.5 | 31.2 Ų | 31.2 | 37% | 0.373 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -62.6 | -28 | -172.6 | 26.5 | -36.7 | 0 | 0 | 0 | 112.6 | N544 Q569 K570 | N544-P546 WeakPolarHBondContact O-CD 3.3Å; P546-Q569 HydrophobicContact CB-CG 4.49Å; P546-Q569 WeakPolarHBondContact O-CB 3.34Å; P546-Q569 PolarHBondContact O-N 3.19Å; P546-K570 PolarHBondContact O-N 3.18Å; P546-K570 VanDerWaalsContact O-N 3.08Å |
| 547 | T | 89.1 | Confident | 84 | Confident | 51.5 Ų | 51.5 | 35.1 Ų | 35.1 | 32% | 0.316 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 128.5 | 171.8 | -57.4 | 0 | 0 | 0 | 0 | 109.8 | I545 K570 E572 | I545-T547 PolarHBondContact O-N 3.15Å; I545-T547 VanDerWaalsContact O-N 3.13Å; T547-K570 VanDerWaalsContact CA-O 3.31Å; T547-K570 WeakPolarHBondContact CA-O 3.35Å; T547-K570 HydrophobicContact CG2-CB 4.35Å; T547-K570 HydrophobicContact CG2-CD 4.1Å; T547-K570 HydrophobicContact CG2-CG 4.46Å; T547-E572 HydrophobicContact CG2-CG 3.83Å |
| 548 | L | 88.5 | Confident | 83.8 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 103 | 170.9 | 174.3 | 64.2 | 0 | 0 | 0 | 108.4 | L369 I521 I545 A552 L553 L563 K570 I571 E572 A575 F576 | L369-L548 HydrophobicContact CD1-CD1 4.03Å; L369-L548 HydrophobicContact CD1-CD2 4.21Å; L369-L548 HydrophobicContact CD2-CD1 4.08Å; I521-L548 HydrophobicContact CD1-CD1 3.45Å; I521-L548 HydrophobicContact CD1-CG 4.47Å; I545-L548 HydrophobicContact CG2-CB 4.12Å; I545-L548 HydrophobicContact CG2-CD1 4.4Å; L548-A552 HydrophobicContact CD1-CB 4.22Å; L548-A552 HydrophobicContact CG-CB 4.31Å; L548-L553 HydrophobicContact CD2-CD1 4.1Å; L548-L563 HydrophobicContact CD2-CD1 3.83Å; L548-L563 VanDerWaalsContact CD2-CD1 3.45Å; L548-K570 PolarHBondContact N-O 3.14Å; L548-K570 VanDerWaalsContact N-O 3.1Å; L548-I571 HydrophobicContact CB-CB 4.42Å; L548-I571 HydrophobicContact CB-CG1 4.01Å; L548-I571 HydrophobicContact CB-CG2 4.36Å; L548-I571 HydrophobicContact CD2-CB 4.3Å; L548-I571 HydrophobicContact CD2-CD1 4Å; L548-I571 HydrophobicContact CD2-CG1 4.13Å; L548-I571 HydrophobicContact CD2-CG2 3.94Å; L548-I571 HydrophobicContact CG-CB 4.47Å; L548-I571 HydrophobicContact CG-CG1 4.33Å; L548-I571 HydrophobicContact CG-CG2 3.89Å; L548-E572 WeakPolarHBondContact O-CB 3.1Å; L548-E572 WeakPolarHBondContact O-CG 3.43Å; L548-E572 PolarHBondContact O-N 3.28Å; L548-A575 HydrophobicContact CD1-CB 3.77Å; L548-A575 HydrophobicContact CD2-CB 4.09Å; L548-A575 HydrophobicContact CG-CB 3.83Å; L548-F576 HydrophobicContact CD2-CE1 4.34Å; L548-F576 HydrophobicContact CD2-CZ 4.47Å |
| 549 | N | 86.8 | Confident | 83.7 | Confident | 88 Ų | 88 | 37.4 Ų | 37.4 | 47% | 0.471 | 22% | 0.222 | S | C | . | . | trans | -69.6 | 157.5 | -171.2 | -60.6 | -15 | 0 | 0 | 0 | 113.3 | G551 A552 A575 | N549-G551 PolarHBondContact O-N 3.06Å; N549-A552 WeakPolarHBondContact O-CB 3.31Å; N549-A552 PolarHBondContact O-N 3.28Å; N549-A552 VanDerWaalsContact O-N 3.17Å; N549-A575 WeakPolarHBondContact O-CA 3.31Å; N549-A575 WeakPolarHBondContact O-CB 3.35Å | ||
| 550 | A | 83.2 | Confident | 83.7 | Confident | 59.5 Ų | 59.5 | 39.3 Ų | 39.3 | 49% | 0.492 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 136.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A552 E572 K573 | A550-A552 VanDerWaalsContact C-N 3.27Å; A550-A552 PolarHBondContact O-N 3.06Å; A550-A552 VanDerWaalsContact O-N 3.14Å; A550-E572 HydrophobicContact CB-CB 4.43Å; A550-E572 PolarHBondContact N-OE2 2.81Å; A550-K573 WeakPolarHBondContact CA-O 3.49Å; A550-K573 VanDerWaalsContact CB-O 3.23Å; A550-K573 WeakPolarHBondContact CB-O 3.42Å |
| 551 | G | 78.8 | Confident | 83.7 | Confident | 28.5 Ų | 28.5 | 39.3 Ų | 39.3 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | -0.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | N549 L553 S554 D574 A575 | N549-G551 PolarHBondContact O-N 3.06Å; G551-L553 VanDerWaalsContact C-N 3.3Å; G551-L553 PolarHBondContact O-N 3.25Å; G551-S554 VanDerWaalsContact O-CB 3.3Å; G551-S554 WeakPolarHBondContact O-CB 3.44Å; G551-S554 PolarHBondContact O-N 3Å; G551-S554 PolarHBondContact O-OG 2.8Å; G551-D574 WeakPolarHBondContact CA-O 3.39Å; G551-D574 PolarHBondContact N-O 3.2Å; G551-A575 CarbonylContact C-O 3.54Å |
| 552 | A | 79.6 | Confident | 84 | Confident | 26.5 Ų | 26.5 | 38.9 Ų | 38.9 | 22% | 0.219 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -20.5 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | I521 V525 L548 N549 A550 A575 | I521-A552 HydrophobicContact CD1-CB 3.27Å; I521-A552 HydrophobicContact CG1-CB 3.73Å; V525-A552 WeakPolarHBondContact CG2-O 3.42Å; L548-A552 HydrophobicContact CD1-CB 4.22Å; L548-A552 HydrophobicContact CG-CB 4.31Å; N549-A552 WeakPolarHBondContact O-CB 3.31Å; N549-A552 PolarHBondContact O-N 3.28Å; N549-A552 VanDerWaalsContact O-N 3.17Å; A550-A552 VanDerWaalsContact C-N 3.27Å; A550-A552 PolarHBondContact O-N 3.06Å; A550-A552 VanDerWaalsContact O-N 3.14Å; A552-A575 PolarHBondContact N-O 2.69Å |
| 553 | L | 81.8 | Confident | 84.4 | Confident | 6.5 Ų | 6.5 | 37.4 Ų | 37.4 | 3% | 0.034 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 4.2 | 173.3 | -76.2 | 169.2 | 0 | 0 | 0 | 113.9 | E368 L369 I521 V525 L548 G551 S555 L556 L561 L563 A575 F576 | E368-L553 HydrophobicContact CB-CD2 4.09Å; E368-L553 WeakPolarHBondContact O-CD2 3.3Å; L369-L553 HydrophobicContact CD2-CD1 3.59Å; L369-L553 HydrophobicContact CD2-CD2 3.69Å; L369-L553 HydrophobicContact CD2-CG 3.38Å; I521-L553 HydrophobicContact CD1-CD2 4.15Å; I521-L553 HydrophobicContact CG1-CD2 4.32Å; V525-L553 HydrophobicContact CG2-CD2 3.79Å; L548-L553 HydrophobicContact CD2-CD1 4.1Å; G551-L553 VanDerWaalsContact C-N 3.3Å; G551-L553 PolarHBondContact O-N 3.25Å; L553-S555 VanDerWaalsContact C-N 3.28Å; L553-S555 PolarHBondContact O-N 3.01Å; L553-S555 VanDerWaalsContact O-N 3.12Å; L553-L556 HydrophobicContact CD2-CD1 3.79Å; L553-L556 WeakPolarHBondContact O-CB 2.93Å; L553-L556 PolarHBondContact O-N 2.98Å; L553-L556 VanDerWaalsContact O-N 3.1Å; L553-L561 HydrophobicContact CD1-CD1 4.4Å; L553-L561 HydrophobicContact CD1-CD2 3.54Å; L553-L563 HydrophobicContact CD1-CD1 4.27Å; L553-A575 WeakPolarHBondContact CB-O 3.39Å; L553-A575 PolarHBondContact N-O 3.24Å; L553-F576 HydrophobicContact CD1-CD1 3.83Å; L553-F576 HydrophobicContact CD1-CE1 4.27Å |
| 554 | S | 76.6 | Confident | 84.9 | Confident | 56 Ų | 56 | 37.5 Ų | 37.5 | 39% | 0.392 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -21.1 | -158.3 | 58.5 | 0 | 0 | 0 | 0 | 117 | G551 F576 | G551-S554 VanDerWaalsContact O-CB 3.3Å; G551-S554 WeakPolarHBondContact O-CB 3.44Å; G551-S554 PolarHBondContact O-N 3Å; G551-S554 PolarHBondContact O-OG 2.8Å; S554-F576 WeakPolarHBondContact CA-O 3.49Å |
| 555 | S | 74.9 | Confident | 85.2 | Confident | 42.5 Ų | 42.5 | 33.1 Ų | 33.1 | 30% | 0.297 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -4.9 | 177.4 | 50.6 | 0 | 0 | 0 | 0 | 114.7 | V525 D529 L553 | V525-S555 WeakPolarHBondContact CG1-OG 3.48Å; D529-S555 VanDerWaalsContact CG-CB 3.4Å; D529-S555 WeakPolarHBondContact OD2-CB 3.27Å; D529-S555 PolarHBondContact OD2-OG 3.15Å; L553-S555 VanDerWaalsContact C-N 3.28Å; L553-S555 PolarHBondContact O-N 3.01Å; L553-S555 VanDerWaalsContact O-N 3.12Å |
| 556 | L | 76.3 | Confident | 85.3 | Confident | 9.5 Ų | 9.5 | 32.8 Ų | 32.8 | 5% | 0.05 | 20% | 0.198 | C | C | . | . | trans | -99.2 | 129.3 | -166.6 | -62.9 | 177.7 | 0 | 0 | 0 | 114.5 | E368 V525 L528 D529 L538 L553 V558 | E368-L556 HydrophobicContact CB-CD1 3.22Å; E368-L556 HydrophobicContact CB-CG 4.45Å; E368-L556 HydrophobicContact CG-CD1 3.35Å; E368-L556 HydrophobicContact CG-CD2 3.8Å; E368-L556 HydrophobicContact CG-CG 4.15Å; V525-L556 HydrophobicContact CB-CD1 4.23Å; V525-L556 HydrophobicContact CG1-CD1 4.13Å; V525-L556 HydrophobicContact CG1-CD2 4.46Å; V525-L556 HydrophobicContact CG1-CG 4.29Å; V525-L556 HydrophobicContact CG2-CD1 3.59Å; V525-L556 VanDerWaalsContact CG2-CD1 3.42Å; V525-L556 HydrophobicContact CG2-CG 4.39Å; L528-L556 HydrophobicContact CB-CD2 3.98Å; D529-L556 HydrophobicContact CB-CD2 4.45Å; L538-L556 HydrophobicContact CD2-CD1 3.94Å; L553-L556 HydrophobicContact CD2-CD1 3.79Å; L553-L556 WeakPolarHBondContact O-CB 2.93Å; L553-L556 PolarHBondContact O-N 2.98Å; L553-L556 VanDerWaalsContact O-N 3.1Å; L556-V558 HydrophobicContact CB-CG2 3.94Å; L556-V558 HydrophobicContact CD1-CG2 4.5Å; L556-V558 PolarHBondContact O-N 3.05Å; L556-V558 VanDerWaalsContact O-N 3.1Å | ||
| 557 | K | 80.5 | Confident | 85.4 | Confident | 99 Ų | 99 | 31.3 Ų | 31.3 | 43% | 0.43 | 19% | 0.193 | S | C | . | . | trans | -92.8 | 76.3 | 178.5 | -68.6 | 179.4 | 175.4 | 121.4 | 0 | 110.9 | V535 E579 | V535-K557 PolarHBondContact N-O 3.11Å; V535-K557 VanDerWaalsContact N-O 3.1Å; K557-E579 WeakPolarHBondContact CE-OE1 3.5Å; K557-E579 WeakPolarHBondContact CE-OE2 3.44Å; K557-E579 IonicContact NZ-OE1 3.87Å; K557-E579 PolarHBondContact NZ-OE1 3.19Å; K557-E579 IonicContact NZ-OE2 2.8Å; K557-E579 PolarHBondContact NZ-OE2 3.36Å | ||
| 558 | V | 85.7 | Confident | 85.6 | Confident | 3.5 Ų | 3.5 | 28.9 Ų | 28.9 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 136.1 | -177.2 | -179.6 | 0 | 0 | 0 | 0 | 111.5 | V535 L538 L556 R560 L561 N582 I583 | V535-V558 HydrophobicContact CB-CG2 3.89Å; V535-V558 HydrophobicContact CG1-CG2 4.09Å; V535-V558 HydrophobicContact CG2-CG2 4.46Å; V535-V558 CarbonylContact O-C 3.49Å; V535-V558 VanDerWaalsContact O-CA 3.29Å; V535-V558 WeakPolarHBondContact O-CA 3.35Å; L538-V558 HydrophobicContact CB-CG1 4.03Å; L538-V558 HydrophobicContact CB-CG2 4.17Å; L538-V558 HydrophobicContact CD2-CB 3.64Å; L538-V558 HydrophobicContact CD2-CG1 3.32Å; L538-V558 HydrophobicContact CD2-CG2 3.85Å; L538-V558 HydrophobicContact CG-CG1 4.21Å; L556-V558 HydrophobicContact CB-CG2 3.94Å; L556-V558 HydrophobicContact CD1-CG2 4.5Å; L556-V558 PolarHBondContact O-N 3.05Å; L556-V558 VanDerWaalsContact O-N 3.1Å; V558-R560 VanDerWaalsContact CG1-C 3.49Å; V558-R560 WeakPolarHBondContact CG1-O 3.37Å; V558-L561 HydrophobicContact CG1-CB 3.95Å; V558-L561 HydrophobicContact CG1-CD1 4.22Å; V558-N582 CarbonylContact O-C 3.27Å; V558-N582 WeakPolarHBondContact O-CB 3.23Å; V558-I583 HydrophobicContact CB-CD1 3.94Å; V558-I583 HydrophobicContact CB-CG1 3.73Å; V558-I583 HydrophobicContact CG1-CD1 3.98Å; V558-I583 HydrophobicContact CG1-CG1 3.82Å; V558-I583 VanDerWaalsContact O-CG1 3.31Å; V558-I583 WeakPolarHBondContact O-CG1 3.46Å; V558-I583 PolarHBondContact O-N 2.8Å |
| 559 | K | 87.5 | Confident | 85.7 | Confident | 74.5 Ų | 74.5 | 34.6 Ų | 34.6 | 32% | 0.324 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | -33.8 | 169.7 | -126.3 | -169.8 | 163.7 | -152.6 | 0 | 114.7 | V535 D536 N582 I583 V584 E585 | V535-K559 WeakPolarHBondContact O-CB 3.16Å; V535-K559 PolarHBondContact O-N 3.37Å; D536-K559 WeakPolarHBondContact OD1-CD 3.34Å; D536-K559 WeakPolarHBondContact OD1-CE 3.41Å; D536-K559 IonicContact OD1-NZ 3.26Å; D536-K559 PolarHBondContact OD1-NZ 3.3Å; K559-N582 WeakPolarHBondContact CA-O 3.38Å; K559-I583 WeakPolarHBondContact O-CA 3.34Å; K559-V584 HydrophobicContact CG-CB 4.39Å; K559-V584 HydrophobicContact CG-CG2 4.07Å; K559-V584 WeakPolarHBondContact O-CA 3.3Å; K559-V584 WeakPolarHBondContact O-CB 3.17Å; K559-V584 PolarHBondContact O-N 3.15Å; K559-E585 PolarHBondContact O-N 3.21Å |
| 560 | R | 91.3 | Very high | 85.9 | Confident | 56 Ų | 56 | 34.6 Ų | 34.6 | 21% | 0.211 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 107.1 | 177 | -59.5 | 170.7 | 154.6 | 131 | -8.2 | 109.3 | E385 D536 K537 L538 V558 E585 | E385-R560 IonicContact OE1-CZ 2.82Å; E385-R560 IonicContact OE1-NE 3.32Å; E385-R560 IonicContact OE1-NH1 2.67Å; E385-R560 PolarHBondContact OE1-NH1 2.81Å; E385-R560 IonicContact OE1-NH2 3.48Å; E385-R560 IonicContact OE2-NH1 2.81Å; D536-R560 VanDerWaalsContact O-CB 3.25Å; D536-R560 WeakPolarHBondContact O-CB 3.25Å; D536-R560 WeakPolarHBondContact O-CD 3.28Å; D536-R560 VanDerWaalsContact O-CG 3.28Å; D536-R560 WeakPolarHBondContact O-CG 3.42Å; D536-R560 PolarHBondContact O-N 2.91Å; D536-R560 VanDerWaalsContact O-N 3.14Å; D536-R560 IonicContact OD1-NH1 3.49Å; D536-R560 PolarHBondContact OD1-NH1 3.01Å; D536-R560 IonicContact OD2-CZ 2.78Å; D536-R560 IonicContact OD2-NH1 2.92Å; D536-R560 PolarHBondContact OD2-NH1 2.97Å; K537-R560 CarbonylContact C-O 3.32Å; K537-R560 WeakPolarHBondContact CA-O 3.41Å; K537-R560 HydrophobicContact CB-CB 3.95Å; K537-R560 HydrophobicContact CD-CB 4.03Å; K537-R560 HydrophobicContact CG-CB 3.83Å; L538-R560 CarbonylContact C-O 3.4Å; L538-R560 WeakPolarHBondContact CA-O 3.3Å; L538-R560 WeakPolarHBondContact CB-O 3.36Å; L538-R560 PolarHBondContact N-O 3.08Å; L538-R560 VanDerWaalsContact O-O 3.05Å; V558-R560 VanDerWaalsContact CG1-C 3.49Å; V558-R560 WeakPolarHBondContact CG1-O 3.37Å; R560-E585 CarbonylContact C-O 3.09Å; R560-E585 WeakPolarHBondContact CA-O 3.37Å; R560-E585 HydrophobicContact CB-CB 4.14Å; R560-E585 WeakPolarHBondContact CD-OE2 3.46Å; R560-E585 HydrophobicContact CG-CB 4.01Å; R560-E585 HydrophobicContact CG-CG 4.05Å; R560-E585 IonicContact CZ-OE1 3.55Å; R560-E585 VanDerWaalsContact CZ-OE1 3.24Å; R560-E585 IonicContact NE-OE1 3.11Å; R560-E585 PolarHBondContact NE-OE1 3.26Å; R560-E585 IonicContact NE-OE2 3.21Å; R560-E585 PolarHBondContact NE-OE2 3.48Å; R560-E585 IonicContact NH2-OE1 2.97Å; R560-E585 PolarHBondContact NH2-OE1 3.12Å |
| 561 | L | 91.6 | Very high | 86.2 | Confident | 1.5 Ų | 1.5 | 32.5 Ų | 32.5 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 136.7 | 178 | -173 | 59.4 | 0 | 0 | 0 | 109.6 | P367 L538 L553 V558 L563 F576 I583 E585 L586 L587 | P367-L561 HydrophobicContact CG-CD1 4.39Å; L538-L561 HydrophobicContact CB-CD1 4.28Å; L538-L561 HydrophobicContact CD2-CD1 4.06Å; L538-L561 HydrophobicContact CG-CD1 4.23Å; L538-L561 CarbonylContact O-C 3.25Å; L538-L561 VanDerWaalsContact O-C 3.23Å; L538-L561 WeakPolarHBondContact O-CA 3.41Å; L553-L561 HydrophobicContact CD1-CD1 4.4Å; L553-L561 HydrophobicContact CD1-CD2 3.54Å; V558-L561 HydrophobicContact CG1-CB 3.95Å; V558-L561 HydrophobicContact CG1-CD1 4.22Å; L561-L563 HydrophobicContact CD1-CD1 4.34Å; L561-L563 HydrophobicContact CD1-CD2 3.71Å; L561-L563 VanDerWaalsContact CD1-CD2 3.47Å; L561-L563 HydrophobicContact CD1-CG 3.93Å; L561-L563 HydrophobicContact CD2-CD1 4.2Å; L561-L563 HydrophobicContact CD2-CD2 3.71Å; L561-L563 HydrophobicContact CD2-CG 4.49Å; L561-L563 HydrophobicContact CG-CD1 4.3Å; L561-L563 HydrophobicContact CG-CD2 3.37Å; L561-L563 HydrophobicContact CG-CG 4.16Å; L561-F576 HydrophobicContact CD2-CD1 3.81Å; L561-F576 HydrophobicContact CD2-CE1 3.71Å; L561-I583 HydrophobicContact CB-CD1 3.74Å; L561-I583 HydrophobicContact CB-CG1 4.34Å; L561-I583 HydrophobicContact CB-CG2 3.88Å; L561-I583 HydrophobicContact CD2-CD1 3.81Å; L561-I583 VanDerWaalsContact CD2-CD1 3.49Å; L561-I583 HydrophobicContact CG-CD1 4.25Å; L561-E585 CarbonylContact C-O 3.53Å; L561-E585 PolarHBondContact N-O 3.19Å; L561-E585 CarbonylContact O-C 3.04Å; L561-E585 VanDerWaalsContact O-C 3.32Å; L561-L586 HydrophobicContact CB-CD1 4.03Å; L561-L586 HydrophobicContact CD2-CD1 3.93Å; L561-L586 HydrophobicContact CG-CD1 3.96Å; L561-L586 WeakPolarHBondContact O-CA 3.39Å; L561-L587 PolarHBondContact O-N 2.88Å |
| 562 | D | 93 | Very high | 86.6 | Confident | 5.5 Ų | 5.5 | 34 Ų | 34 | 3% | 0.029 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 104.5 | -177.6 | -176.7 | 0.8 | 0 | 0 | 0 | 105.4 | W360 K537 L538 K539 I540 S564 L587 | W360-D562 HydrophobicContact CH2-CB 3.6Å; W360-D562 VanDerWaalsContact CH2-O 3.27Å; W360-D562 WeakPolarHBondContact CH2-O 3.29Å; W360-D562 WeakPolarHBondContact CH2-OD1 2.96Å; W360-D562 WeakPolarHBondContact CZ2-O 3.2Å; W360-D562 HydrophobicContact CZ3-CB 4.04Å; W360-D562 WeakPolarHBondContact CZ3-OD1 3.34Å; W360-D562 WeakPolarHBondContact CZ3-OD2 3.41Å; K537-D562 IonicContact NZ-OD2 3.87Å; K537-D562 PolarHBondContact NZ-OD2 3.13Å; L538-D562 PolarHBondContact O-N 3.02Å; K539-D562 CarbonylContact C-O 3.38Å; K539-D562 VanDerWaalsContact CA-O 3.27Å; K539-D562 WeakPolarHBondContact CA-O 3.43Å; K539-D562 HydrophobicContact CB-CB 3.74Å; K539-D562 VanDerWaalsContact CB-CB 3.46Å; K539-D562 WeakPolarHBondContact CD-OD2 3.28Å; K539-D562 HydrophobicContact CG-CB 3.91Å; I540-D562 WeakPolarHBondContact CD1-O 3.34Å; I540-D562 PolarHBondContact N-O 3.15Å; D562-S564 VanDerWaalsContact OD1-CB 3.3Å; D562-S564 WeakPolarHBondContact OD1-CB 3.46Å; D562-S564 PolarHBondContact OD1-N 3.5Å; D562-S564 PolarHBondContact OD1-OG 3.3Å; D562-L587 CarbonylContact C-O 2.98Å; D562-L587 WeakPolarHBondContact CA-O 3.39Å; D562-L587 HydrophobicContact CB-CB 3.97Å; D562-L587 HydrophobicContact CB-CD1 4.06Å; D562-L587 HydrophobicContact CB-CG 4.34Å; D562-L587 WeakPolarHBondContact OD1-CB 3.36Å; D562-L587 VanDerWaalsContact OD2-CD1 3.31Å; D562-L587 WeakPolarHBondContact OD2-CD1 3.32Å |
| 563 | L | 92.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -114.9 | 35.3 | 175.9 | -34.4 | 170.9 | 0 | 0 | 0 | 109.9 | L369 I521 I540 L548 L553 L561 N566 I568 I571 F576 L586 L587 L588 N591 | L369-L563 HydrophobicContact CD1-CD1 4.27Å; L369-L563 HydrophobicContact CD1-CD2 3.99Å; L369-L563 HydrophobicContact CG-CD2 4.2Å; I521-L563 HydrophobicContact CD1-CD1 4.46Å; I521-L563 HydrophobicContact CD1-CD2 4.04Å; I540-L563 HydrophobicContact CB-CD2 3.89Å; I540-L563 HydrophobicContact CD1-CB 3.67Å; I540-L563 HydrophobicContact CD1-CD2 3.55Å; I540-L563 HydrophobicContact CD1-CG 3.88Å; I540-L563 HydrophobicContact CG1-CD2 4.33Å; L548-L563 HydrophobicContact CD2-CD1 3.83Å; L548-L563 VanDerWaalsContact CD2-CD1 3.45Å; L553-L563 HydrophobicContact CD1-CD1 4.27Å; L561-L563 HydrophobicContact CD1-CD1 4.34Å; L561-L563 HydrophobicContact CD1-CD2 3.71Å; L561-L563 VanDerWaalsContact CD1-CD2 3.47Å; L561-L563 HydrophobicContact CD1-CG 3.93Å; L561-L563 HydrophobicContact CD2-CD1 4.2Å; L561-L563 HydrophobicContact CD2-CD2 3.71Å; L561-L563 HydrophobicContact CD2-CG 4.49Å; L561-L563 HydrophobicContact CG-CD1 4.3Å; L561-L563 HydrophobicContact CG-CD2 3.37Å; L561-L563 HydrophobicContact CG-CG 4.16Å; L563-N566 WeakPolarHBondContact CA-ND2 3.28Å; L563-N566 PolarHBondContact O-ND2 2.98Å; L563-I568 HydrophobicContact CB-CD1 3.88Å; L563-I568 HydrophobicContact CD1-CD1 4.41Å; L563-I571 HydrophobicContact CD1-CD1 4.16Å; L563-F576 HydrophobicContact CD1-CE1 3.98Å; L563-F576 HydrophobicContact CD1-CZ 4.29Å; L563-L586 HydrophobicContact CG-CD1 4.06Å; L563-L587 CarbonylContact C-O 3.56Å; L563-L587 PolarHBondContact N-O 2.96Å; L563-L588 HydrophobicContact CB-CD2 3.78Å; L563-L588 VanDerWaalsContact CB-CD2 3.46Å; L563-L588 HydrophobicContact CD1-CD2 4.1Å; L563-L588 HydrophobicContact CG-CD2 3.5Å; L563-N591 PolarHBondContact O-ND2 3.19Å; L563-N591 PolarHBondContact O-OD1 2.07Å | ||
| 564 | S | 91.4 | Very high | 86.7 | Confident | 10.5 Ų | 10.5 | 41.7 Ų | 41.7 | 7% | 0.073 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 155.9 | 174.4 | -51.3 | 0 | 0 | 0 | 0 | 111.2 | W360 D562 N566 L587 L588 A589 N591 | W360-S564 VanDerWaalsContact CE2-CA 3.48Å; W360-S564 VanDerWaalsContact CE2-O 3.25Å; W360-S564 VanDerWaalsContact CZ2-CB 3.47Å; W360-S564 PolarHBondContact NE1-O 3.49Å; D562-S564 VanDerWaalsContact OD1-CB 3.3Å; D562-S564 WeakPolarHBondContact OD1-CB 3.46Å; D562-S564 PolarHBondContact OD1-N 3.5Å; D562-S564 PolarHBondContact OD1-OG 3.3Å; S564-N566 VanDerWaalsContact C-N 3.25Å; S564-N566 PolarHBondContact O-N 3.12Å; S564-N566 PolarHBondContact O-ND2 3.17Å; S564-L587 PolarHBondContact N-O 3.38Å; S564-L587 PolarHBondContact OG-O 3.32Å; S564-L588 VanDerWaalsContact CA-C 3.4Å; S564-L588 PolarHBondContact OG-N 2.95Å; S564-A589 CarbonylContact C-O 3.42Å; S564-A589 VanDerWaalsContact CA-N 3.28Å; S564-A589 WeakPolarHBondContact CA-O 3.38Å; S564-A589 VanDerWaalsContact CB-O 3.29Å; S564-A589 WeakPolarHBondContact CB-O 3.19Å; S564-A589 PolarHBondContact OG-N 3.07Å; S564-N591 VanDerWaalsContact C-ND2 3.27Å; S564-N591 PolarHBondContact O-OD1 3.48Å |
| 565 | G | 89.7 | Confident | 87 | Confident | 10 Ų | 10 | 39.1 Ų | 39.1 | 10% | 0.103 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 16 | 168.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | P356 L358 W360 N542 G567 A589 N590 N591 | P356-G565 CarbonylContact C-O 3.4Å; P356-G565 VanDerWaalsContact C-O 3.22Å; P356-G565 VanDerWaalsContact CA-O 3.24Å; P356-G565 WeakPolarHBondContact CA-O 3.26Å; P356-G565 CarbonylContact O-C 3.54Å; L358-G565 WeakPolarHBondContact CA-O 3.42Å; L358-G565 WeakPolarHBondContact CB-O 3.35Å; L358-G565 PolarHBondContact N-O 3.03Å; W360-G565 VanDerWaalsContact CD1-CA 3.45Å; N542-G565 WeakPolarHBondContact CA-O 3.37Å; N542-G565 PolarHBondContact N-O 2.83Å; G565-G567 PolarHBondContact O-N 2.92Å; G565-A589 PolarHBondContact N-O 2.89Å; G565-N590 WeakPolarHBondContact CA-O 3.43Å; G565-N590 PolarHBondContact N-O 2.76Å; G565-N591 PolarHBondContact N-ND2 3.41Å |
| 566 | N | 88 | Confident | 87.5 | Confident | 1.5 Ų | 1.5 | 37.2 Ų | 37.2 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -90 | 4.5 | -177.3 | -72.1 | -68.2 | 0 | 0 | 0 | 115 | P356 I540 E541 N542 S543 N544 I545 L563 S564 I568 N591 | P356-N566 HydrophobicContact CB-CB 4.43Å; P356-N566 WeakPolarHBondContact O-CA 3.09Å; P356-N566 PolarHBondContact O-N 3.27Å; P356-N566 PolarHBondContact O-OD1 3.44Å; I540-N566 WeakPolarHBondContact CG2-OD1 3.33Å; I540-N566 VanDerWaalsContact O-CG 3.25Å; I540-N566 PolarHBondContact O-ND2 3.23Å; I540-N566 PolarHBondContact O-OD1 3.3Å; I540-N566 VanDerWaalsContact O-OD1 3.14Å; E541-N566 VanDerWaalsContact C-OD1 3.26Å; E541-N566 WeakPolarHBondContact CA-OD1 3.38Å; N542-N566 PolarHBondContact N-OD1 3.06Å; S543-N566 WeakPolarHBondContact CB-OD1 3.3Å; S543-N566 PolarHBondContact N-OD1 2.98Å; N544-N566 CarbonylContact C-O 3.56Å; N544-N566 VanDerWaalsContact CA-O 3.31Å; N544-N566 WeakPolarHBondContact CA-O 3.33Å; I545-N566 HydrophobicContact CB-CB 4.3Å; I545-N566 HydrophobicContact CD1-CB 4.15Å; I545-N566 HydrophobicContact CG1-CB 4.21Å; I545-N566 PolarHBondContact N-O 3.2Å; L563-N566 WeakPolarHBondContact CA-ND2 3.28Å; L563-N566 PolarHBondContact O-ND2 2.98Å; S564-N566 VanDerWaalsContact C-N 3.25Å; S564-N566 PolarHBondContact O-N 3.12Å; S564-N566 PolarHBondContact O-ND2 3.17Å; N566-I568 VanDerWaalsContact C-N 3.33Å; N566-I568 HydrophobicContact CB-CD1 4.01Å; N566-I568 HydrophobicContact CB-CG1 3.81Å; N566-I568 PolarHBondContact O-N 3.33Å; N566-I568 VanDerWaalsContact O-N 3.12Å; N566-N591 WeakPolarHBondContact CA-OD1 3.44Å; N566-N591 WeakPolarHBondContact CB-OD1 3.36Å; N566-N591 PolarHBondContact N-OD1 2.92Å |
| 567 | G | 87.5 | Confident | 87.3 | Confident | 26 Ų | 26 | 36.9 Ų | 36.9 | 27% | 0.268 | 18% | 0.179 | S | C | . | . | trans | 65.4 | 19.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G565 Q569 N591 | G565-G567 PolarHBondContact O-N 2.92Å; G567-Q569 VanDerWaalsContact O-CG 3.31Å; G567-Q569 WeakPolarHBondContact O-CG 3.06Å; G567-Q569 PolarHBondContact O-N 3.05Å; G567-N591 PolarHBondContact N-OD1 3.31Å | ||
| 568 | I | 91.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -59.5 | 122 | -179.5 | -57.8 | 159.8 | 0 | 0 | 0 | 109.3 | I545 L563 N566 K570 I571 L588 N591 A592 L593 | I545-I568 HydrophobicContact CB-CG1 4.15Å; I545-I568 HydrophobicContact CG2-CG1 4.46Å; I545-I568 WeakPolarHBondContact O-CA 3.3Å; I545-I568 WeakPolarHBondContact O-CB 3.49Å; I545-I568 VanDerWaalsContact O-CG1 3.27Å; I545-I568 WeakPolarHBondContact O-CG1 3.34Å; L563-I568 HydrophobicContact CB-CD1 3.88Å; L563-I568 HydrophobicContact CD1-CD1 4.41Å; N566-I568 VanDerWaalsContact C-N 3.33Å; N566-I568 HydrophobicContact CB-CD1 4.01Å; N566-I568 HydrophobicContact CB-CG1 3.81Å; N566-I568 PolarHBondContact O-N 3.33Å; N566-I568 VanDerWaalsContact O-N 3.12Å; I568-K570 WeakPolarHBondContact CG2-O 3.31Å; I568-I571 HydrophobicContact CG2-CD1 4.24Å; I568-I571 HydrophobicContact CG2-CG1 3.68Å; I568-L588 HydrophobicContact CD1-CD2 4.22Å; I568-N591 HydrophobicContact CB-CB 4.17Å; I568-N591 WeakPolarHBondContact CB-OD1 3.28Å; I568-N591 WeakPolarHBondContact CD1-OD1 3.38Å; I568-N591 WeakPolarHBondContact CG1-OD1 3.4Å; I568-N591 PolarHBondContact N-OD1 3.24Å; I568-N591 WeakPolarHBondContact O-CB 3.17Å; I568-A592 CarbonylContact O-C 3.58Å; I568-A592 WeakPolarHBondContact O-CA 3.32Å; I568-A592 PolarHBondContact O-N 2.5Å; I568-A592 VanDerWaalsContact O-N 3.1Å; I568-L593 HydrophobicContact CB-CD2 4.36Å; I568-L593 HydrophobicContact CB-CG 4.46Å; I568-L593 HydrophobicContact CG2-CD2 3.75Å; I568-L593 HydrophobicContact CG2-CG 4.33Å; I568-L593 WeakPolarHBondContact O-CA 3.11Å; I568-L593 PolarHBondContact O-N 2.78Å; I568-L593 VanDerWaalsContact O-N 3.15Å | ||
| 569 | Q | 91.3 | Very high | 85.6 | Confident | 121 Ų | 121 | 45.3 Ų | 45.3 | 57% | 0.565 | 21% | 0.213 | S | C | * | . | trans | -98.2 | -33.5 | 178.8 | -58 | 176.7 | 24.5 | 0 | 0 | 111 | P546 G567 A592 | P546-Q569 HydrophobicContact CB-CG 4.49Å; P546-Q569 WeakPolarHBondContact O-CB 3.34Å; P546-Q569 PolarHBondContact O-N 3.19Å; G567-Q569 VanDerWaalsContact O-CG 3.31Å; G567-Q569 WeakPolarHBondContact O-CG 3.06Å; G567-Q569 PolarHBondContact O-N 3.05Å; Q569-A592 HydrophobicContact CG-CB 3.97Å | ||
| 570 | K | 90.4 | Very high | 84.6 | Confident | 88.5 Ų | 88.5 | 42 Ų | 42 | 39% | 0.385 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 143.1 | -179.4 | -174.3 | -169.6 | 175.4 | -152.5 | 0 | 110.8 | P546 T547 L548 I568 E572 | P546-K570 PolarHBondContact O-N 3.18Å; P546-K570 VanDerWaalsContact O-N 3.08Å; T547-K570 VanDerWaalsContact CA-O 3.31Å; T547-K570 WeakPolarHBondContact CA-O 3.35Å; T547-K570 HydrophobicContact CG2-CB 4.35Å; T547-K570 HydrophobicContact CG2-CD 4.1Å; T547-K570 HydrophobicContact CG2-CG 4.46Å; L548-K570 PolarHBondContact N-O 3.14Å; L548-K570 VanDerWaalsContact N-O 3.1Å; I568-K570 WeakPolarHBondContact CG2-O 3.31Å; K570-E572 IonicContact NZ-OE1 2.92Å; K570-E572 PolarHBondContact NZ-OE1 3.18Å |
| 571 | I | 90.2 | Very high | 83.7 | Confident | 15.5 Ų | 15.5 | 45.6 Ų | 45.6 | 8% | 0.079 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 129.1 | 165.8 | -65.3 | 174.7 | 0 | 0 | 0 | 106.6 | L548 L563 I568 A575 F576 L588 L593 P597 | L548-I571 HydrophobicContact CB-CB 4.42Å; L548-I571 HydrophobicContact CB-CG1 4.01Å; L548-I571 HydrophobicContact CB-CG2 4.36Å; L548-I571 HydrophobicContact CD2-CB 4.3Å; L548-I571 HydrophobicContact CD2-CD1 4Å; L548-I571 HydrophobicContact CD2-CG1 4.13Å; L548-I571 HydrophobicContact CD2-CG2 3.94Å; L548-I571 HydrophobicContact CG-CB 4.47Å; L548-I571 HydrophobicContact CG-CG1 4.33Å; L548-I571 HydrophobicContact CG-CG2 3.89Å; L563-I571 HydrophobicContact CD1-CD1 4.16Å; I568-I571 HydrophobicContact CG2-CD1 4.24Å; I568-I571 HydrophobicContact CG2-CG1 3.68Å; I571-A575 HydrophobicContact CG2-CB 3.9Å; I571-F576 HydrophobicContact CD1-CZ 4.42Å; I571-F576 HydrophobicContact CG2-CE2 4.23Å; I571-F576 HydrophobicContact CG2-CZ 4.35Å; I571-L588 HydrophobicContact CD1-CD1 3.99Å; I571-L588 HydrophobicContact CD1-CD2 3.92Å; I571-L593 HydrophobicContact CD1-CD1 4.4Å; I571-L593 HydrophobicContact CD1-CD2 4.11Å; I571-L593 HydrophobicContact CG1-CD2 4.05Å; I571-P597 HydrophobicContact CB-CB 3.85Å; I571-P597 HydrophobicContact CD1-CB 3.72Å; I571-P597 HydrophobicContact CD1-CG 4.02Å; I571-P597 HydrophobicContact CG1-CB 4.3Å; I571-P597 HydrophobicContact CG2-CB 3.9Å |
| 572 | E | 87.4 | Confident | 83.3 | Confident | 60.5 Ų | 60.5 | 49.2 Ų | 49.2 | 28% | 0.283 | 24% | 0.236 | S | C | . | . | trans | -81.3 | 157.8 | 179.6 | -56.2 | -154 | 123.8 | 0 | 0 | 112 | T547 L548 A550 K570 A575 | T547-E572 HydrophobicContact CG2-CG 3.83Å; L548-E572 WeakPolarHBondContact O-CB 3.1Å; L548-E572 WeakPolarHBondContact O-CG 3.43Å; L548-E572 PolarHBondContact O-N 3.28Å; A550-E572 HydrophobicContact CB-CB 4.43Å; A550-E572 PolarHBondContact N-OE2 2.81Å; K570-E572 IonicContact NZ-OE1 2.92Å; K570-E572 PolarHBondContact NZ-OE1 3.18Å; E572-A575 VanDerWaalsContact O-CB 3.22Å; E572-A575 WeakPolarHBondContact O-CB 3.38Å; E572-A575 PolarHBondContact O-N 3.08Å | ||
| 573 | K | 81.4 | Confident | 83 | Confident | 134.5 Ų | 134.5 | 49.1 Ų | 49.1 | 59% | 0.585 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 145.6 | 171.1 | -125.3 | 177.7 | 179.4 | -8.4 | 0 | 110 | A550 A575 D598 | A550-K573 WeakPolarHBondContact CA-O 3.49Å; A550-K573 VanDerWaalsContact CB-O 3.23Å; A550-K573 WeakPolarHBondContact CB-O 3.42Å; K573-A575 PolarHBondContact O-N 3.06Å; K573-A575 VanDerWaalsContact O-N 3.13Å; K573-D598 WeakPolarHBondContact CE-OD2 3.48Å; K573-D598 HydrophobicContact CG-CB 4.16Å; K573-D598 WeakPolarHBondContact CG-OD2 3.18Å; K573-D598 IonicContact NZ-OD2 3.01Å; K573-D598 PolarHBondContact NZ-OD2 2.96Å |
| 574 | D | 81.7 | Confident | 83 | Confident | 60.5 Ų | 60.5 | 50.3 Ų | 50.3 | 32% | 0.324 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 13.6 | -177.1 | -54.1 | -32.9 | 0 | 0 | 0 | 115.5 | G551 F576 G577 Y578 | G551-D574 WeakPolarHBondContact CA-O 3.39Å; G551-D574 PolarHBondContact N-O 3.2Å; D574-F576 VanDerWaalsContact C-N 3.27Å; D574-F576 PolarHBondContact O-N 2.99Å; D574-G577 WeakPolarHBondContact O-CA 3.1Å; D574-G577 PolarHBondContact O-N 2.83Å; D574-Y578 HydrophobicContact CB-CE2 4.05Å; D574-Y578 VanDerWaalsContact CG-CZ 3.48Å; D574-Y578 VanDerWaalsContact CG-OH 3.24Å; D574-Y578 PolarHBondContact OD1-OH 3.18Å; D574-Y578 WeakPolarHBondContact OD2-CE2 3.37Å; D574-Y578 VanDerWaalsContact OD2-CZ 3.22Å; D574-Y578 PolarHBondContact OD2-OH 3.25Å |
| 575 | A | 84.4 | Confident | 83 | Confident | 0.5 Ų | 0.5 | 51 Ų | 51 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -54.9 | -39.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L548 N549 G551 A552 L553 I571 E572 K573 G577 | L548-A575 HydrophobicContact CD1-CB 3.77Å; L548-A575 HydrophobicContact CD2-CB 4.09Å; L548-A575 HydrophobicContact CG-CB 3.83Å; N549-A575 WeakPolarHBondContact O-CA 3.31Å; N549-A575 WeakPolarHBondContact O-CB 3.35Å; G551-A575 CarbonylContact C-O 3.54Å; A552-A575 PolarHBondContact N-O 2.69Å; L553-A575 WeakPolarHBondContact CB-O 3.39Å; L553-A575 PolarHBondContact N-O 3.24Å; I571-A575 HydrophobicContact CG2-CB 3.9Å; E572-A575 VanDerWaalsContact O-CB 3.22Å; E572-A575 WeakPolarHBondContact O-CB 3.38Å; E572-A575 PolarHBondContact O-N 3.08Å; K573-A575 PolarHBondContact O-N 3.06Å; K573-A575 VanDerWaalsContact O-N 3.13Å; A575-G577 VanDerWaalsContact C-N 3.32Å |
| 576 | F | 83.7 | Confident | 83.2 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 1% | 0.013 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -74.7 | -26.3 | 174.5 | -54 | -70.2 | 0 | 0 | 0 | 113.1 | L548 L553 S554 L561 L563 I571 D574 A580 I583 L586 P597 D598 V599 L602 | L548-F576 HydrophobicContact CD2-CE1 4.34Å; L548-F576 HydrophobicContact CD2-CZ 4.47Å; L553-F576 HydrophobicContact CD1-CD1 3.83Å; L553-F576 HydrophobicContact CD1-CE1 4.27Å; S554-F576 WeakPolarHBondContact CA-O 3.49Å; L561-F576 HydrophobicContact CD2-CD1 3.81Å; L561-F576 HydrophobicContact CD2-CE1 3.71Å; L563-F576 HydrophobicContact CD1-CE1 3.98Å; L563-F576 HydrophobicContact CD1-CZ 4.29Å; I571-F576 HydrophobicContact CD1-CZ 4.42Å; I571-F576 HydrophobicContact CG2-CE2 4.23Å; I571-F576 HydrophobicContact CG2-CZ 4.35Å; D574-F576 VanDerWaalsContact C-N 3.27Å; D574-F576 PolarHBondContact O-N 2.99Å; F576-A580 HydrophobicContact CB-CB 3.84Å; F576-A580 VanDerWaalsContact O-CB 3.31Å; F576-A580 WeakPolarHBondContact O-CB 3.42Å; F576-I583 HydrophobicContact CD1-CD1 4.4Å; F576-L586 HydrophobicContact CE1-CD1 4.23Å; F576-L586 HydrophobicContact CE1-CD2 4.38Å; F576-L586 HydrophobicContact CE2-CD2 4.37Å; F576-L586 HydrophobicContact CZ-CD1 4.39Å; F576-L586 HydrophobicContact CZ-CD2 3.96Å; F576-P597 HydrophobicContact CE2-CB 4.32Å; F576-P597 HydrophobicContact CZ-CB 4.5Å; F576-D598 WeakPolarHBondContact CD2-O 3.43Å; F576-D598 VanDerWaalsContact CE2-O 3.32Å; F576-D598 WeakPolarHBondContact CE2-O 3.4Å; F576-V599 HydrophobicContact CE2-CG1 4.32Å; F576-L602 HydrophobicContact CB-CD2 3.85Å; F576-L602 HydrophobicContact CD1-CD1 4.42Å; F576-L602 HydrophobicContact CD1-CD2 4.29Å; F576-L602 HydrophobicContact CD2-CD1 4.23Å; F576-L602 HydrophobicContact CD2-CD2 4.37Å; F576-L602 HydrophobicContact CD2-CG 4.44Å; F576-L602 HydrophobicContact CE1-CD1 4.44Å; F576-L602 HydrophobicContact CE2-CD1 4.35Å; F576-L602 HydrophobicContact CG-CD1 4.39Å; F576-L602 HydrophobicContact CG-CD2 4.05Å; F576-L602 HydrophobicContact CG-CG 4.42Å; F576-L602 HydrophobicContact CZ-CD1 4.42Å |
| 577 | G | 73.1 | Confident | 83.5 | Confident | 3.5 Ų | 3.5 | 51.3 Ų | 51.3 | 4% | 0.036 | 24% | 0.244 | C | C | . | . | trans | 75.1 | 170.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | D574 A575 E579 A580 S601 | D574-G577 WeakPolarHBondContact O-CA 3.1Å; D574-G577 PolarHBondContact O-N 2.83Å; A575-G577 VanDerWaalsContact C-N 3.32Å; G577-E579 PolarHBondContact O-N 3.37Å; G577-E579 VanDerWaalsContact O-N 3.1Å; G577-A580 WeakPolarHBondContact O-CB 3.49Å; G577-A580 PolarHBondContact O-N 2.7Å; G577-A580 VanDerWaalsContact O-N 3.1Å; G577-S601 WeakPolarHBondContact O-CB 3.21Å; G577-S601 PolarHBondContact O-OG 3.23Å | ||
| 578 | Y | 68.8 | Low | 83.8 | Confident | 171.5 Ų | 171.5 | 50.1 Ų | 50.1 | 67% | 0.673 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -73.2 | -18.2 | -171 | -64.9 | -87 | 0 | 0 | 0 | 115.3 | D574 K581 | D574-Y578 HydrophobicContact CB-CE2 4.05Å; D574-Y578 VanDerWaalsContact CG-CZ 3.48Å; D574-Y578 VanDerWaalsContact CG-OH 3.24Å; D574-Y578 PolarHBondContact OD1-OH 3.18Å; D574-Y578 WeakPolarHBondContact OD2-CE2 3.37Å; D574-Y578 VanDerWaalsContact OD2-CZ 3.22Å; D574-Y578 PolarHBondContact OD2-OH 3.25Å; Y578-K581 VanDerWaalsContact O-CE 3.32Å; Y578-K581 WeakPolarHBondContact O-CE 3.42Å |
| 579 | E | 61.5 | Low | 83.9 | Confident | 107 Ų | 107 | 50.4 Ų | 50.4 | 50% | 0.5 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -88.9 | -8 | 176.7 | -70 | -115.4 | -179.1 | 0 | 0 | 113.8 | K557 G577 K581 N582 | K557-E579 WeakPolarHBondContact CE-OE1 3.5Å; K557-E579 WeakPolarHBondContact CE-OE2 3.44Å; K557-E579 IonicContact NZ-OE1 3.87Å; K557-E579 PolarHBondContact NZ-OE1 3.19Å; K557-E579 IonicContact NZ-OE2 2.8Å; K557-E579 PolarHBondContact NZ-OE2 3.36Å; G577-E579 PolarHBondContact O-N 3.37Å; G577-E579 VanDerWaalsContact O-N 3.1Å; E579-K581 PolarHBondContact O-N 2.98Å; E579-N582 PolarHBondContact O-ND2 3.2Å |
| 580 | A | 66.5 | Low | 84 | Confident | 5.5 Ų | 5.5 | 47.4 Ų | 47.4 | 5% | 0.045 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -69.4 | 12.3 | -178 | 0 | 0 | 0 | 0 | 0 | 115.6 | F576 G577 N582 I583 L602 | F576-A580 HydrophobicContact CB-CB 3.84Å; F576-A580 VanDerWaalsContact O-CB 3.31Å; F576-A580 WeakPolarHBondContact O-CB 3.42Å; G577-A580 WeakPolarHBondContact O-CB 3.49Å; G577-A580 PolarHBondContact O-N 2.7Å; G577-A580 VanDerWaalsContact O-N 3.1Å; A580-N582 PolarHBondContact O-N 3.03Å; A580-I583 HydrophobicContact CB-CD1 4.01Å; A580-I583 HydrophobicContact CB-CG1 4.44Å; A580-I583 WeakPolarHBondContact O-CB 3.32Å; A580-I583 WeakPolarHBondContact O-CG1 3.48Å; A580-I583 PolarHBondContact O-N 3.14Å; A580-L602 HydrophobicContact CB-CD2 3.54Å |
| 581 | K | 73 | Confident | 84.1 | Confident | 131 Ų | 131 | 43.7 Ų | 43.7 | 57% | 0.57 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -59.4 | -6.7 | 175.1 | -62 | 175.3 | -176 | 174 | 0 | 114.2 | Y578 E579 A603 A604 | Y578-K581 VanDerWaalsContact O-CE 3.32Å; Y578-K581 WeakPolarHBondContact O-CE 3.42Å; E579-K581 PolarHBondContact O-N 2.98Å; K581-A603 HydrophobicContact CB-CB 4.43Å; K581-A603 HydrophobicContact CG-CB 4.42Å; K581-A604 VanDerWaalsContact O-CB 3.23Å; K581-A604 WeakPolarHBondContact O-CB 3.26Å; K581-A604 PolarHBondContact O-N 3.04Å |
| 582 | N | 81.7 | Confident | 84.3 | Confident | 77 Ų | 77 | 43.8 Ų | 43.8 | 41% | 0.412 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -93.7 | -12 | 179.8 | -61.1 | -69.5 | 0 | 0 | 0 | 113.6 | V558 K559 E579 A580 V584 | V558-N582 CarbonylContact O-C 3.27Å; V558-N582 WeakPolarHBondContact O-CB 3.23Å; K559-N582 WeakPolarHBondContact CA-O 3.38Å; E579-N582 PolarHBondContact O-ND2 3.2Å; A580-N582 PolarHBondContact O-N 3.03Å; N582-V584 PolarHBondContact O-N 2.91Å |
| 583 | I | 87.9 | Confident | 84.5 | Confident | 4.5 Ų | 4.5 | 41 Ų | 41 | 2% | 0.023 | 20% | 0.197 | C | C | . | . | trans | -72.3 | 119 | -176.7 | -61.3 | -178.6 | 0 | 0 | 0 | 110.1 | V558 K559 L561 F576 A580 E585 L586 L602 A604 L605 | V558-I583 HydrophobicContact CB-CD1 3.94Å; V558-I583 HydrophobicContact CB-CG1 3.73Å; V558-I583 HydrophobicContact CG1-CD1 3.98Å; V558-I583 HydrophobicContact CG1-CG1 3.82Å; V558-I583 VanDerWaalsContact O-CG1 3.31Å; V558-I583 WeakPolarHBondContact O-CG1 3.46Å; V558-I583 PolarHBondContact O-N 2.8Å; K559-I583 WeakPolarHBondContact O-CA 3.34Å; L561-I583 HydrophobicContact CB-CD1 3.74Å; L561-I583 HydrophobicContact CB-CG1 4.34Å; L561-I583 HydrophobicContact CB-CG2 3.88Å; L561-I583 HydrophobicContact CD2-CD1 3.81Å; L561-I583 VanDerWaalsContact CD2-CD1 3.49Å; L561-I583 HydrophobicContact CG-CD1 4.25Å; F576-I583 HydrophobicContact CD1-CD1 4.4Å; A580-I583 HydrophobicContact CB-CD1 4.01Å; A580-I583 HydrophobicContact CB-CG1 4.44Å; A580-I583 WeakPolarHBondContact O-CB 3.32Å; A580-I583 WeakPolarHBondContact O-CG1 3.48Å; A580-I583 PolarHBondContact O-N 3.14Å; I583-E585 WeakPolarHBondContact CG2-O 3.42Å; I583-L586 HydrophobicContact CG2-CB 4.35Å; I583-L602 HydrophobicContact CB-CD2 4.29Å; I583-L602 HydrophobicContact CD1-CD2 3.91Å; I583-L602 HydrophobicContact CG1-CD2 4.35Å; I583-L602 HydrophobicContact CG2-CD1 4.44Å; I583-A604 CarbonylContact O-C 3.44Å; I583-L605 HydrophobicContact CG2-CD1 4.28Å; I583-L605 WeakPolarHBondContact O-CA 3.31Å; I583-L605 PolarHBondContact O-N 3.12Å | ||
| 584 | V | 91 | Very high | 85 | Confident | 24 Ų | 24 | 40.6 Ų | 40.6 | 15% | 0.145 | 20% | 0.195 | C | C | . | . | trans | -105.6 | -29.3 | -179.5 | 178.8 | 0 | 0 | 0 | 0 | 112.1 | K559 N582 A604 Q606 I607 | K559-V584 HydrophobicContact CG-CB 4.39Å; K559-V584 HydrophobicContact CG-CG2 4.07Å; K559-V584 WeakPolarHBondContact O-CA 3.3Å; K559-V584 WeakPolarHBondContact O-CB 3.17Å; K559-V584 PolarHBondContact O-N 3.15Å; N582-V584 PolarHBondContact O-N 2.91Å; V584-A604 WeakPolarHBondContact CA-O 3.39Å; V584-A604 HydrophobicContact CG2-CB 4.05Å; V584-Q606 HydrophobicContact CG1-CB 3.93Å; V584-Q606 HydrophobicContact CG1-CG 3.95Å; V584-Q606 WeakPolarHBondContact O-CA 3.37Å; V584-Q606 WeakPolarHBondContact O-CB 3.37Å; V584-Q606 PolarHBondContact O-N 3.29Å; V584-I607 PolarHBondContact O-N 3.08Å | ||
| 585 | E | 93.2 | Very high | 85.4 | Confident | 26.5 Ų | 26.5 | 41.9 Ų | 41.9 | 12% | 0.124 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 128.6 | 174.5 | -58.5 | 173.3 | -157.2 | 0 | 0 | 108.1 | K537 K559 R560 L561 I583 I607 | K537-E585 IonicContact NZ-OE2 3.99Å; K537-E585 PolarHBondContact NZ-OE2 2.95Å; K559-E585 PolarHBondContact O-N 3.21Å; R560-E585 CarbonylContact C-O 3.09Å; R560-E585 WeakPolarHBondContact CA-O 3.37Å; R560-E585 HydrophobicContact CB-CB 4.14Å; R560-E585 WeakPolarHBondContact CD-OE2 3.46Å; R560-E585 HydrophobicContact CG-CB 4.01Å; R560-E585 HydrophobicContact CG-CG 4.05Å; R560-E585 IonicContact CZ-OE1 3.55Å; R560-E585 VanDerWaalsContact CZ-OE1 3.24Å; R560-E585 IonicContact NE-OE1 3.11Å; R560-E585 PolarHBondContact NE-OE1 3.26Å; R560-E585 IonicContact NE-OE2 3.21Å; R560-E585 PolarHBondContact NE-OE2 3.48Å; R560-E585 IonicContact NH2-OE1 2.97Å; R560-E585 PolarHBondContact NH2-OE1 3.12Å; L561-E585 CarbonylContact C-O 3.53Å; L561-E585 PolarHBondContact N-O 3.19Å; L561-E585 CarbonylContact O-C 3.04Å; L561-E585 VanDerWaalsContact O-C 3.32Å; I583-E585 WeakPolarHBondContact CG2-O 3.42Å; E585-I607 WeakPolarHBondContact CA-O 3.39Å; E585-I607 HydrophobicContact CB-CB 4.4Å; E585-I607 HydrophobicContact CG-CB 4.14Å; E585-I607 HydrophobicContact CG-CD1 4.11Å; E585-I607 HydrophobicContact CG-CG1 4.23Å |
| 586 | L | 93.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 121.5 | 171.3 | 179.9 | 58.6 | 0 | 0 | 0 | 108.1 | L561 L563 F576 I583 L588 V599 L602 L605 I607 L608 N609 | L561-L586 HydrophobicContact CB-CD1 4.03Å; L561-L586 HydrophobicContact CD2-CD1 3.93Å; L561-L586 HydrophobicContact CG-CD1 3.96Å; L561-L586 WeakPolarHBondContact O-CA 3.39Å; L563-L586 HydrophobicContact CG-CD1 4.06Å; F576-L586 HydrophobicContact CE1-CD1 4.23Å; F576-L586 HydrophobicContact CE1-CD2 4.38Å; F576-L586 HydrophobicContact CE2-CD2 4.37Å; F576-L586 HydrophobicContact CZ-CD1 4.39Å; F576-L586 HydrophobicContact CZ-CD2 3.96Å; I583-L586 HydrophobicContact CG2-CB 4.35Å; L586-L588 HydrophobicContact CD1-CD1 4.28Å; L586-L588 HydrophobicContact CD1-CD2 4.15Å; L586-L588 HydrophobicContact CD1-CG 4.18Å; L586-L588 HydrophobicContact CD2-CD1 4.03Å; L586-L588 HydrophobicContact CD2-CG 4.4Å; L586-L588 HydrophobicContact CG-CD1 4.11Å; L586-L588 HydrophobicContact CG-CD2 4.18Å; L586-L588 HydrophobicContact CG-CG 4.05Å; L586-V599 HydrophobicContact CD2-CG1 3.84Å; L586-L602 HydrophobicContact CD2-CD1 3.74Å; L586-L605 HydrophobicContact CB-CD1 3.58Å; L586-L605 VanDerWaalsContact CB-CD1 3.5Å; L586-L605 HydrophobicContact CB-CD2 4.28Å; L586-L605 VanDerWaalsContact N-CD1 3.27Å; L586-I607 PolarHBondContact N-O 2.96Å; L586-L608 HydrophobicContact CB-CD1 3.99Å; L586-L608 HydrophobicContact CD2-CD1 3.9Å; L586-L608 HydrophobicContact CG-CD1 3.85Å; L586-L608 CarbonylContact O-C 3.47Å; L586-L608 WeakPolarHBondContact O-CA 3.43Å; L586-L608 WeakPolarHBondContact O-CD1 3.05Å; L586-N609 PolarHBondContact O-N 2.78Å |
| 587 | L | 94.7 | Very high | 85.7 | Confident | 17.5 Ų | 17.5 | 42.9 Ų | 42.9 | 9% | 0.092 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 119.4 | -176.1 | -50.2 | 174 | 0 | 0 | 0 | 107.6 | L561 D562 L563 S564 I607 N609 | L561-L587 PolarHBondContact O-N 2.88Å; D562-L587 CarbonylContact C-O 2.98Å; D562-L587 WeakPolarHBondContact CA-O 3.39Å; D562-L587 HydrophobicContact CB-CB 3.97Å; D562-L587 HydrophobicContact CB-CD1 4.06Å; D562-L587 HydrophobicContact CB-CG 4.34Å; D562-L587 WeakPolarHBondContact OD1-CB 3.36Å; D562-L587 VanDerWaalsContact OD2-CD1 3.31Å; D562-L587 WeakPolarHBondContact OD2-CD1 3.32Å; L563-L587 CarbonylContact C-O 3.56Å; L563-L587 PolarHBondContact N-O 2.96Å; S564-L587 PolarHBondContact N-O 3.38Å; S564-L587 PolarHBondContact OG-O 3.32Å; L587-I607 HydrophobicContact CD2-CB 4.49Å; L587-I607 HydrophobicContact CD2-CG2 3.64Å; L587-N609 HydrophobicContact CB-CB 4.24Å; L587-N609 HydrophobicContact CD2-CB 3.43Å; L587-N609 HydrophobicContact CG-CB 4.22Å |
| 588 | L | 93.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -129.3 | 27.8 | -170 | -65.8 | 174.1 | 0 | 0 | 0 | 111.4 | L563 S564 I568 I571 L586 N591 L593 P597 L608 N609 I610 N613 | L563-L588 HydrophobicContact CB-CD2 3.78Å; L563-L588 VanDerWaalsContact CB-CD2 3.46Å; L563-L588 HydrophobicContact CD1-CD2 4.1Å; L563-L588 HydrophobicContact CG-CD2 3.5Å; S564-L588 VanDerWaalsContact CA-C 3.4Å; S564-L588 PolarHBondContact OG-N 2.95Å; I568-L588 HydrophobicContact CD1-CD2 4.22Å; I571-L588 HydrophobicContact CD1-CD1 3.99Å; I571-L588 HydrophobicContact CD1-CD2 3.92Å; L586-L588 HydrophobicContact CD1-CD1 4.28Å; L586-L588 HydrophobicContact CD1-CD2 4.15Å; L586-L588 HydrophobicContact CD1-CG 4.18Å; L586-L588 HydrophobicContact CD2-CD1 4.03Å; L586-L588 HydrophobicContact CD2-CG 4.4Å; L586-L588 HydrophobicContact CG-CD1 4.11Å; L586-L588 HydrophobicContact CG-CD2 4.18Å; L586-L588 HydrophobicContact CG-CG 4.05Å; L588-N591 VanDerWaalsContact C-ND2 3.31Å; L588-N591 PolarHBondContact O-ND2 3.14Å; L588-L593 HydrophobicContact CB-CD1 4.24Å; L588-L593 HydrophobicContact CD1-CD1 4.23Å; L588-P597 HydrophobicContact CD1-CG 3.65Å; L588-L608 HydrophobicContact CD1-CD1 3.97Å; L588-L608 HydrophobicContact CG-CD1 4.19Å; L588-N609 CarbonylContact C-O 3.55Å; L588-N609 WeakPolarHBondContact CA-O 3.39Å; L588-N609 PolarHBondContact N-O 3.1Å; L588-I610 HydrophobicContact CB-CG2 3.92Å; L588-I610 HydrophobicContact CD1-CG2 4.07Å; L588-I610 HydrophobicContact CG-CG2 4.32Å; L588-N613 PolarHBondContact O-ND2 2.75Å; L588-N613 PolarHBondContact O-OD1 2.7Å | ||
| 589 | A | 92.8 | Very high | 87.2 | Confident | 5.5 Ų | 5.5 | 36.7 Ų | 36.7 | 5% | 0.045 | 18% | 0.182 | C | C | . | . | trans | -72.8 | 140.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G359 S564 G565 N591 N609 N611 | G359-A589 WeakPolarHBondContact CA-O 2.85Å; S564-A589 CarbonylContact C-O 3.42Å; S564-A589 VanDerWaalsContact CA-N 3.28Å; S564-A589 WeakPolarHBondContact CA-O 3.38Å; S564-A589 VanDerWaalsContact CB-O 3.29Å; S564-A589 WeakPolarHBondContact CB-O 3.19Å; S564-A589 PolarHBondContact OG-N 3.07Å; G565-A589 PolarHBondContact N-O 2.89Å; A589-N591 VanDerWaalsContact C-N 3.35Å; A589-N591 PolarHBondContact O-N 2.95Å; A589-N591 PolarHBondContact O-ND2 2.85Å; A589-N609 WeakPolarHBondContact CA-O 3.33Å; A589-N609 WeakPolarHBondContact CB-O 3.36Å; A589-N609 PolarHBondContact N-O 3.46Å; A589-N611 CarbonylContact C-O 3.39Å; A589-N611 WeakPolarHBondContact CA-O 3.35Å; A589-N611 HydrophobicContact CB-CB 4.14Å; A589-N611 WeakPolarHBondContact CB-O 3.45Å | ||
| 590 | N | 93.5 | Very high | 88.2 | Confident | 58 Ų | 58 | 33.3 Ų | 33.3 | 31% | 0.31 | 17% | 0.17 | S | C | . | . | S | Bend | trans | 64.2 | 38 | 175 | -46.3 | -57.1 | 0 | 0 | 0 | 114.4 | L358 G359 G565 N611 G612 | L358-N590 VanDerWaalsContact O-CB 3.27Å; L358-N590 WeakPolarHBondContact O-CB 3.29Å; G359-N590 WeakPolarHBondContact CA-ND2 2.81Å; G359-N590 PolarHBondContact O-ND2 3.06Å; G565-N590 WeakPolarHBondContact CA-O 3.43Å; G565-N590 PolarHBondContact N-O 2.76Å; N590-N611 PolarHBondContact N-O 3.04Å; N590-G612 WeakPolarHBondContact CA-O 3.4Å; N590-G612 PolarHBondContact N-O 2.83Å |
| 591 | N | 92.5 | Very high | 88.9 | Confident | 11 Ų | 11 | 34.3 Ų | 34.3 | 6% | 0.059 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -95.5 | -166.2 | 167 | -67.4 | -79.4 | 0 | 0 | 0 | 110.1 | L563 S564 G565 N566 G567 I568 L588 A589 L593 G612 N613 | L563-N591 PolarHBondContact O-ND2 3.19Å; L563-N591 PolarHBondContact O-OD1 2.07Å; S564-N591 VanDerWaalsContact C-ND2 3.27Å; S564-N591 PolarHBondContact O-OD1 3.48Å; G565-N591 PolarHBondContact N-ND2 3.41Å; N566-N591 WeakPolarHBondContact CA-OD1 3.44Å; N566-N591 WeakPolarHBondContact CB-OD1 3.36Å; N566-N591 PolarHBondContact N-OD1 2.92Å; G567-N591 PolarHBondContact N-OD1 3.31Å; I568-N591 HydrophobicContact CB-CB 4.17Å; I568-N591 WeakPolarHBondContact CB-OD1 3.28Å; I568-N591 WeakPolarHBondContact CD1-OD1 3.38Å; I568-N591 WeakPolarHBondContact CG1-OD1 3.4Å; I568-N591 PolarHBondContact N-OD1 3.24Å; I568-N591 WeakPolarHBondContact O-CB 3.17Å; L588-N591 VanDerWaalsContact C-ND2 3.31Å; L588-N591 PolarHBondContact O-ND2 3.14Å; A589-N591 VanDerWaalsContact C-N 3.35Å; A589-N591 PolarHBondContact O-N 2.95Å; A589-N591 PolarHBondContact O-ND2 2.85Å; N591-L593 HydrophobicContact CB-CD1 4.43Å; N591-L593 HydrophobicContact CB-CG 4.29Å; N591-G612 PolarHBondContact N-O 3.43Å; N591-N613 WeakPolarHBondContact CA-OD1 3.4Å; N591-N613 WeakPolarHBondContact CB-OD1 3.3Å; N591-N613 PolarHBondContact N-OD1 3.18Å; N591-N613 WeakPolarHBondContact O-CA 3.4Å; N591-N613 PolarHBondContact O-OD1 3.1Å |
| 592 | A | 93.3 | Very high | 89.6 | Confident | 19 Ų | 19 | 28.1 Ų | 28.1 | 16% | 0.157 | 15% | 0.15 | C | C | . | . | trans | -113.5 | 28.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I568 Q569 K594 N613 | I568-A592 CarbonylContact O-C 3.58Å; I568-A592 WeakPolarHBondContact O-CA 3.32Å; I568-A592 PolarHBondContact O-N 2.5Å; I568-A592 VanDerWaalsContact O-N 3.1Å; Q569-A592 HydrophobicContact CG-CB 3.97Å; A592-K594 PolarHBondContact O-N 3.14Å; A592-N613 PolarHBondContact N-OD1 3.49Å | ||
| 593 | L | 93.4 | Very high | 89.7 | Confident | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | trans | -64.2 | 124.5 | -177.9 | -70.3 | 169.5 | 0 | 0 | 0 | 109.9 | I568 I571 L588 N591 N613 Q614 L615 | I568-L593 HydrophobicContact CB-CD2 4.36Å; I568-L593 HydrophobicContact CB-CG 4.46Å; I568-L593 HydrophobicContact CG2-CD2 3.75Å; I568-L593 HydrophobicContact CG2-CG 4.33Å; I568-L593 WeakPolarHBondContact O-CA 3.11Å; I568-L593 PolarHBondContact O-N 2.78Å; I568-L593 VanDerWaalsContact O-N 3.15Å; I571-L593 HydrophobicContact CD1-CD1 4.4Å; I571-L593 HydrophobicContact CD1-CD2 4.11Å; I571-L593 HydrophobicContact CG1-CD2 4.05Å; L588-L593 HydrophobicContact CB-CD1 4.24Å; L588-L593 HydrophobicContact CD1-CD1 4.23Å; N591-L593 HydrophobicContact CB-CD1 4.43Å; N591-L593 HydrophobicContact CB-CG 4.29Å; L593-N613 HydrophobicContact CB-CB 4.13Å; L593-N613 WeakPolarHBondContact CB-OD1 3.41Å; L593-N613 WeakPolarHBondContact CG-OD1 3.38Å; L593-N613 PolarHBondContact N-OD1 3.23Å; L593-Q614 CarbonylContact O-C 3.42Å; L593-Q614 VanDerWaalsContact O-C 3.25Å; L593-Q614 WeakPolarHBondContact O-CA 3.37Å; L593-Q614 PolarHBondContact O-N 3.3Å; L593-L615 HydrophobicContact CB-CD2 4.27Å; L593-L615 PolarHBondContact O-N 3.23Å | ||
| 594 | K | 90.8 | Very high | 89.8 | Confident | 125 Ų | 125 | 27.9 Ų | 27.9 | 54% | 0.543 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -94.2 | -22.3 | 175.6 | -61.6 | -166.5 | 174.7 | -159.1 | 0 | 113.7 | A592 Q614 | A592-K594 PolarHBondContact O-N 3.14Å; K594-Q614 HydrophobicContact CG-CB 4.22Å |
| 595 | E | 89.9 | Confident | 89.8 | Confident | 87 Ų | 87 | 26.8 Ų | 26.8 | 41% | 0.407 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -132.8 | 154.8 | 174.1 | 62.5 | -174.1 | 163.9 | 0 | 0 | 110.7 | L615 K619 | E595-L615 WeakPolarHBondContact O-CD2 3.37Å; E595-K619 IonicContact OE2-NZ 3.36Å; E595-K619 PolarHBondContact OE2-NZ 3.39Å |
| 596 | L | 88.9 | Confident | 89.8 | Confident | 20.5 Ų | 20.5 | 28.6 Ų | 28.6 | 11% | 0.107 | 16% | 0.161 | C | C | . | . | trans | -69 | 134.2 | 178.4 | -156.8 | 119 | 0 | 0 | 0 | 109.3 | V599 L608 I610 L615 I618 A622 F623 | L596-V599 HydrophobicContact CD2-CG2 4.35Å; L596-L608 HydrophobicContact CD1-CD2 4.27Å; L596-L608 HydrophobicContact CD2-CD2 4.16Å; L596-I610 HydrophobicContact CD1-CD1 3.65Å; L596-I610 HydrophobicContact CD1-CG2 4.08Å; L596-I610 HydrophobicContact CG-CD1 3.96Å; L596-L615 HydrophobicContact CD1-CD1 4.47Å; L596-I618 HydrophobicContact CB-CG2 4.48Å; L596-I618 HydrophobicContact CD1-CG1 4.26Å; L596-I618 HydrophobicContact CD1-CG2 4.3Å; L596-I618 HydrophobicContact CD2-CG2 4.08Å; L596-A622 HydrophobicContact CD2-CB 3.69Å; L596-A622 WeakPolarHBondContact CD2-O 3.33Å; L596-F623 HydrophobicContact CD1-CE1 4.15Å; L596-F623 HydrophobicContact CD1-CZ 3.68Å; L596-F623 HydrophobicContact CD2-CD1 4.49Å; L596-F623 HydrophobicContact CD2-CE1 3.96Å; L596-F623 HydrophobicContact CD2-CE2 4.13Å; L596-F623 HydrophobicContact CD2-CZ 4.01Å | ||
| 597 | P | 86.4 | Confident | 89.9 | Confident | 5 Ų | 5 | 30.7 Ų | 30.7 | 3% | 0.032 | 17% | 0.172 | C | C | . | . | trans | -61.6 | 152.6 | 175.7 | 23.4 | -34.5 | 0 | 0 | 0 | 113 | I571 F576 L588 V599 | I571-P597 HydrophobicContact CB-CB 3.85Å; I571-P597 HydrophobicContact CD1-CB 3.72Å; I571-P597 HydrophobicContact CD1-CG 4.02Å; I571-P597 HydrophobicContact CG1-CB 4.3Å; I571-P597 HydrophobicContact CG2-CB 3.9Å; F576-P597 HydrophobicContact CE2-CB 4.32Å; F576-P597 HydrophobicContact CZ-CB 4.5Å; L588-P597 HydrophobicContact CD1-CG 3.65Å; P597-V599 HydrophobicContact CB-CG1 4.3Å; P597-V599 HydrophobicContact CG-CG1 4.18Å; P597-V599 PolarHBondContact O-N 3.17Å | ||
| 598 | D | 85.6 | Confident | 89.9 | Confident | 44.5 Ų | 44.5 | 29.9 Ų | 29.9 | 24% | 0.238 | 17% | 0.168 | C | C | . | . | trans | -67.9 | 98.1 | 167.5 | -172 | -14.2 | 0 | 0 | 0 | 110.6 | K573 F576 S600 | K573-D598 WeakPolarHBondContact CE-OD2 3.48Å; K573-D598 HydrophobicContact CG-CB 4.16Å; K573-D598 WeakPolarHBondContact CG-OD2 3.18Å; K573-D598 IonicContact NZ-OD2 3.01Å; K573-D598 PolarHBondContact NZ-OD2 2.96Å; F576-D598 WeakPolarHBondContact CD2-O 3.43Å; F576-D598 VanDerWaalsContact CE2-O 3.32Å; F576-D598 WeakPolarHBondContact CE2-O 3.4Å; D598-S600 VanDerWaalsContact C-N 3.35Å; D598-S600 VanDerWaalsContact OD1-CB 3.24Å; D598-S600 WeakPolarHBondContact OD1-CB 3.41Å; D598-S600 PolarHBondContact OD1-N 2.86Å; D598-S600 PolarHBondContact OD1-OG 3.07Å | ||
| 599 | V | 86.9 | Confident | 90 | Very high | 0.5 Ų | 0.5 | 30.8 Ų | 30.8 | 0% | 0.003 | 17% | 0.173 | C | C | . | . | trans | -93 | 8.6 | 177.9 | -71.4 | 0 | 0 | 0 | 0 | 113 | F576 L586 L596 P597 S601 L602 L605 A622 F623 N626 | F576-V599 HydrophobicContact CE2-CG1 4.32Å; L586-V599 HydrophobicContact CD2-CG1 3.84Å; L596-V599 HydrophobicContact CD2-CG2 4.35Å; P597-V599 HydrophobicContact CB-CG1 4.3Å; P597-V599 HydrophobicContact CG-CG1 4.18Å; P597-V599 PolarHBondContact O-N 3.17Å; V599-S601 PolarHBondContact O-N 3.24Å; V599-L602 HydrophobicContact CB-CD1 4.17Å; V599-L602 HydrophobicContact CB-CG 4.35Å; V599-L602 HydrophobicContact CG1-CD1 4.04Å; V599-L602 VanDerWaalsContact O-CB 3.29Å; V599-L602 WeakPolarHBondContact O-CB 3.34Å; V599-L602 WeakPolarHBondContact O-CG 3.16Å; V599-L602 PolarHBondContact O-N 3.09Å; V599-L605 HydrophobicContact CB-CD2 4.26Å; V599-L605 HydrophobicContact CG1-CD2 4.25Å; V599-A622 WeakPolarHBondContact CG2-O 3.13Å; V599-F623 HydrophobicContact CG2-CD1 4.13Å; V599-N626 VanDerWaalsContact CG2-OD1 3.3Å; V599-N626 WeakPolarHBondContact CG2-OD1 3.45Å; V599-N626 PolarHBondContact O-ND2 3.34Å; V599-N626 PolarHBondContact O-OD1 3.32Å | ||
| 600 | S | 82.7 | Confident | 90.1 | Very high | 34.5 Ų | 34.5 | 30.6 Ų | 30.6 | 24% | 0.241 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -14.2 | -169.1 | 64.7 | 0 | 0 | 0 | 0 | 115.7 | D598 A624 | D598-S600 VanDerWaalsContact C-N 3.35Å; D598-S600 VanDerWaalsContact OD1-CB 3.24Å; D598-S600 WeakPolarHBondContact OD1-CB 3.41Å; D598-S600 PolarHBondContact OD1-N 2.86Å; D598-S600 PolarHBondContact OD1-OG 3.07Å; S600-A624 WeakPolarHBondContact CA-O 3.17Å; S600-A624 WeakPolarHBondContact CB-O 3.38Å |
| 601 | S | 81 | Confident | 90.1 | Very high | 27.3333 Ų | 27.3333 | 29.1 Ų | 29.1 | 19% | 0.191 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -14.9 | 171.3 | 56.9 | 0 | 0 | 0 | 0 | 114 | G577 V599 A603 | G577-S601 WeakPolarHBondContact O-CB 3.21Å; G577-S601 PolarHBondContact O-OG 3.23Å; V599-S601 PolarHBondContact O-N 3.24Å; S601-A603 VanDerWaalsContact C-N 3.33Å; S601-A603 PolarHBondContact O-N 3.18Å |
| 602 | L | 87 | Confident | 90.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -92.5 | 59.5 | -169.6 | -49.2 | -172.2 | 0 | 0 | 0 | 112.3 | F576 A580 I583 L586 V599 A604 L605 N626 | F576-L602 HydrophobicContact CB-CD2 3.85Å; F576-L602 HydrophobicContact CD1-CD1 4.42Å; F576-L602 HydrophobicContact CD1-CD2 4.29Å; F576-L602 HydrophobicContact CD2-CD1 4.23Å; F576-L602 HydrophobicContact CD2-CD2 4.37Å; F576-L602 HydrophobicContact CD2-CG 4.44Å; F576-L602 HydrophobicContact CE1-CD1 4.44Å; F576-L602 HydrophobicContact CE2-CD1 4.35Å; F576-L602 HydrophobicContact CG-CD1 4.39Å; F576-L602 HydrophobicContact CG-CD2 4.05Å; F576-L602 HydrophobicContact CG-CG 4.42Å; F576-L602 HydrophobicContact CZ-CD1 4.42Å; A580-L602 HydrophobicContact CB-CD2 3.54Å; I583-L602 HydrophobicContact CB-CD2 4.29Å; I583-L602 HydrophobicContact CD1-CD2 3.91Å; I583-L602 HydrophobicContact CG1-CD2 4.35Å; I583-L602 HydrophobicContact CG2-CD1 4.44Å; L586-L602 HydrophobicContact CD2-CD1 3.74Å; V599-L602 HydrophobicContact CB-CD1 4.17Å; V599-L602 HydrophobicContact CB-CG 4.35Å; V599-L602 HydrophobicContact CG1-CD1 4.04Å; V599-L602 VanDerWaalsContact O-CB 3.29Å; V599-L602 WeakPolarHBondContact O-CB 3.34Å; V599-L602 WeakPolarHBondContact O-CG 3.16Å; V599-L602 PolarHBondContact O-N 3.09Å; L602-A604 PolarHBondContact O-N 3.31Å; L602-L605 HydrophobicContact CB-CB 3.98Å; L602-L605 HydrophobicContact CB-CD2 4.37Å; L602-L605 HydrophobicContact CD1-CD1 4.41Å; L602-L605 HydrophobicContact CD1-CD2 4.26Å; L602-L605 VanDerWaalsContact O-CB 3.24Å; L602-L605 WeakPolarHBondContact O-CB 3.35Å; L602-L605 PolarHBondContact O-N 3.06Å; L602-L605 VanDerWaalsContact O-N 3.09Å; L602-N626 PolarHBondContact O-ND2 3.21Å | ||
| 603 | A | 85.3 | Confident | 90.2 | Very high | 50.3333 Ų | 50.3333 | 28.8 Ų | 28.8 | 42% | 0.416 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -9.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | K581 S601 T628 | K581-A603 HydrophobicContact CB-CB 4.43Å; K581-A603 HydrophobicContact CG-CB 4.42Å; S601-A603 VanDerWaalsContact C-N 3.33Å; S601-A603 PolarHBondContact O-N 3.18Å; A603-T628 PolarHBondContact O-OG1 2.71Å; A603-T628 VanDerWaalsContact O-OG1 3.07Å |
| 604 | A | 89 | Confident | 90.3 | Very high | 27.6667 Ų | 27.6667 | 32.3 Ų | 32.3 | 23% | 0.229 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 4.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K581 I583 V584 L602 Q606 T628 | K581-A604 VanDerWaalsContact O-CB 3.23Å; K581-A604 WeakPolarHBondContact O-CB 3.26Å; K581-A604 PolarHBondContact O-N 3.04Å; I583-A604 CarbonylContact O-C 3.44Å; V584-A604 WeakPolarHBondContact CA-O 3.39Å; V584-A604 HydrophobicContact CG2-CB 4.05Å; L602-A604 PolarHBondContact O-N 3.31Å; A604-Q606 PolarHBondContact O-N 2.91Å; A604-T628 VanDerWaalsContact C-OG1 3.3Å; A604-T628 WeakPolarHBondContact CA-OG1 3.4Å; A604-T628 PolarHBondContact O-OG1 3.02Å |
| 605 | L | 91.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -64.3 | 120 | -173.6 | -175.6 | 66.1 | 0 | 0 | 0 | 111.6 | I583 L586 V599 L602 I607 L608 T628 L629 | I583-L605 HydrophobicContact CG2-CD1 4.28Å; I583-L605 WeakPolarHBondContact O-CA 3.31Å; I583-L605 PolarHBondContact O-N 3.12Å; L586-L605 HydrophobicContact CB-CD1 3.58Å; L586-L605 VanDerWaalsContact CB-CD1 3.5Å; L586-L605 HydrophobicContact CB-CD2 4.28Å; L586-L605 VanDerWaalsContact N-CD1 3.27Å; V599-L605 HydrophobicContact CB-CD2 4.26Å; V599-L605 HydrophobicContact CG1-CD2 4.25Å; L602-L605 HydrophobicContact CB-CB 3.98Å; L602-L605 HydrophobicContact CB-CD2 4.37Å; L602-L605 HydrophobicContact CD1-CD1 4.41Å; L602-L605 HydrophobicContact CD1-CD2 4.26Å; L602-L605 VanDerWaalsContact O-CB 3.24Å; L602-L605 WeakPolarHBondContact O-CB 3.35Å; L602-L605 PolarHBondContact O-N 3.06Å; L602-L605 VanDerWaalsContact O-N 3.09Å; L605-I607 WeakPolarHBondContact CD1-O 3.31Å; L605-L608 HydrophobicContact CD2-CB 4.32Å; L605-T628 PolarHBondContact N-OG1 2.93Å; L605-T628 VanDerWaalsContact N-OG1 3.12Å; L605-T628 CarbonylContact O-C 3.44Å; L605-T628 WeakPolarHBondContact O-CB 3.39Å; L605-T628 PolarHBondContact O-OG1 3.05Å; L605-T628 VanDerWaalsContact O-OG1 3.04Å; L605-L629 HydrophobicContact CD2-CD1 4.13Å; L605-L629 HydrophobicContact CG-CD1 3.96Å; L605-L629 VanDerWaalsContact O-CA 3.31Å; L605-L629 WeakPolarHBondContact O-CA 3.19Å; L605-L629 PolarHBondContact O-N 3.06Å; L605-L629 VanDerWaalsContact O-N 3.15Å | ||
| 606 | Q | 93.3 | Very high | 90.5 | Very high | 65.3333 Ų | 65.3333 | 28.2 Ų | 28.2 | 31% | 0.305 | 16% | 0.162 | S | C | . | . | trans | -108.7 | -29 | 177.6 | -67.5 | -180 | 41.2 | 0 | 0 | 113.3 | V584 A604 T628 R630 V631 | V584-Q606 HydrophobicContact CG1-CB 3.93Å; V584-Q606 HydrophobicContact CG1-CG 3.95Å; V584-Q606 WeakPolarHBondContact O-CA 3.37Å; V584-Q606 WeakPolarHBondContact O-CB 3.37Å; V584-Q606 PolarHBondContact O-N 3.29Å; A604-Q606 PolarHBondContact O-N 2.91Å; Q606-T628 WeakPolarHBondContact CA-O 3.31Å; Q606-T628 WeakPolarHBondContact CG-O 3.16Å; Q606-R630 CarbonylContact O-C 3.51Å; Q606-R630 WeakPolarHBondContact O-CA 3.27Å; Q606-R630 WeakPolarHBondContact O-CB 3.26Å; Q606-R630 PolarHBondContact O-N 3.07Å; Q606-R630 VanDerWaalsContact OE1-NH1 3.1Å; Q606-V631 PolarHBondContact O-N 3.03Å | ||
| 607 | I | 94.7 | Very high | 90.6 | Very high | 44.3333 Ų | 44.3333 | 29 Ų | 29 | 23% | 0.227 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 121.8 | -179.3 | -52.5 | -173 | 0 | 0 | 0 | 109.9 | V584 E585 L586 L587 L605 V631 | V584-I607 PolarHBondContact O-N 3.08Å; E585-I607 WeakPolarHBondContact CA-O 3.39Å; E585-I607 HydrophobicContact CB-CB 4.4Å; E585-I607 HydrophobicContact CG-CB 4.14Å; E585-I607 HydrophobicContact CG-CD1 4.11Å; E585-I607 HydrophobicContact CG-CG1 4.23Å; L586-I607 PolarHBondContact N-O 2.96Å; L587-I607 HydrophobicContact CD2-CB 4.49Å; L587-I607 HydrophobicContact CD2-CG2 3.64Å; L605-I607 WeakPolarHBondContact CD1-O 3.31Å; I607-V631 CarbonylContact C-O 3.07Å; I607-V631 WeakPolarHBondContact CA-O 3.43Å; I607-V631 HydrophobicContact CB-CB 4.36Å; I607-V631 HydrophobicContact CG1-CB 4.1Å; I607-V631 HydrophobicContact CG1-CG2 4.28Å; I607-V631 HydrophobicContact CG2-CB 4.1Å; I607-V631 HydrophobicContact CG2-CG1 4.17Å |
| 608 | L | 95 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 126.5 | 167.3 | -175.2 | 59.2 | 0 | 0 | 0 | 110.3 | L586 L588 L596 L605 I610 F623 L629 V631 L632 K633 | L586-L608 HydrophobicContact CB-CD1 3.99Å; L586-L608 HydrophobicContact CD2-CD1 3.9Å; L586-L608 HydrophobicContact CG-CD1 3.85Å; L586-L608 CarbonylContact O-C 3.47Å; L586-L608 WeakPolarHBondContact O-CA 3.43Å; L586-L608 WeakPolarHBondContact O-CD1 3.05Å; L588-L608 HydrophobicContact CD1-CD1 3.97Å; L588-L608 HydrophobicContact CG-CD1 4.19Å; L596-L608 HydrophobicContact CD1-CD2 4.27Å; L596-L608 HydrophobicContact CD2-CD2 4.16Å; L605-L608 HydrophobicContact CD2-CB 4.32Å; L608-I610 HydrophobicContact CD1-CG2 4.09Å; L608-I610 HydrophobicContact CD2-CD1 4.26Å; L608-I610 HydrophobicContact CD2-CG2 4.4Å; L608-I610 HydrophobicContact CG-CG2 4.12Å; L608-F623 HydrophobicContact CD2-CE1 3.8Å; L608-F623 HydrophobicContact CD2-CZ 4.27Å; L608-L629 HydrophobicContact CB-CD1 3.95Å; L608-V631 PolarHBondContact N-O 3.22Å; L608-L632 HydrophobicContact CB-CD1 3.93Å; L608-L632 HydrophobicContact CD2-CD1 3.85Å; L608-L632 HydrophobicContact CG-CD1 4.01Å; L608-L632 CarbonylContact O-C 3.56Å; L608-L632 WeakPolarHBondContact O-CA 3.41Å; L608-K633 PolarHBondContact O-N 2.95Å |
| 609 | N | 95.3 | Very high | 90.9 | Very high | 20 Ų | 20 | 31.8 Ų | 31.8 | 11% | 0.107 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 96.3 | 176.6 | 177.8 | 21.5 | 0 | 0 | 0 | 110.8 | K381 L586 L587 L588 A589 N611 K633 | K381-N609 PolarHBondContact O-ND2 2.97Å; L586-N609 PolarHBondContact O-N 2.78Å; L587-N609 HydrophobicContact CB-CB 4.24Å; L587-N609 HydrophobicContact CD2-CB 3.43Å; L587-N609 HydrophobicContact CG-CB 4.22Å; L588-N609 CarbonylContact C-O 3.55Å; L588-N609 WeakPolarHBondContact CA-O 3.39Å; L588-N609 PolarHBondContact N-O 3.1Å; A589-N609 WeakPolarHBondContact CA-O 3.33Å; A589-N609 WeakPolarHBondContact CB-O 3.36Å; A589-N609 PolarHBondContact N-O 3.46Å; N609-N611 VanDerWaalsContact C-N 3.26Å; N609-N611 PolarHBondContact O-N 3.06Å; N609-N611 VanDerWaalsContact OD1-CB 3.31Å; N609-N611 WeakPolarHBondContact OD1-CB 3.32Å; N609-N611 PolarHBondContact OD1-N 3.12Å; N609-N611 PolarHBondContact OD1-ND2 3.14Å; N609-N611 PolarHBondContact OD1-OD1 3.06Å; N609-K633 CarbonylContact C-O 3.5Å; N609-K633 WeakPolarHBondContact CA-O 3.49Å; N609-K633 HydrophobicContact CB-CB 4.5Å |
| 610 | I | 94.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -105.7 | 23.3 | 177.7 | 47.3 | 168.8 | 0 | 0 | 0 | 111.8 | L588 L596 L608 G612 N613 L615 I618 L632 K633 A634 N637 | L588-I610 HydrophobicContact CB-CG2 3.92Å; L588-I610 HydrophobicContact CD1-CG2 4.07Å; L588-I610 HydrophobicContact CG-CG2 4.32Å; L596-I610 HydrophobicContact CD1-CD1 3.65Å; L596-I610 HydrophobicContact CD1-CG2 4.08Å; L596-I610 HydrophobicContact CG-CD1 3.96Å; L608-I610 HydrophobicContact CD1-CG2 4.09Å; L608-I610 HydrophobicContact CD2-CD1 4.26Å; L608-I610 HydrophobicContact CD2-CG2 4.4Å; L608-I610 HydrophobicContact CG-CG2 4.12Å; I610-G612 PolarHBondContact O-N 2.87Å; I610-N613 PolarHBondContact O-ND2 3.07Å; I610-L615 HydrophobicContact CB-CD1 3.99Å; I610-L615 HydrophobicContact CD1-CD1 3.44Å; I610-L615 VanDerWaalsContact CD1-CD1 3.42Å; I610-L615 HydrophobicContact CG1-CD1 4.1Å; I610-L615 HydrophobicContact CG2-CD1 4.3Å; I610-I618 HydrophobicContact CD1-CD1 4.03Å; I610-L632 HydrophobicContact CD1-CD1 4.14Å; I610-L632 HydrophobicContact CG1-CD1 4.32Å; I610-K633 CarbonylContact C-O 3.52Å; I610-K633 WeakPolarHBondContact CA-O 3.33Å; I610-K633 WeakPolarHBondContact CG1-O 3.13Å; I610-K633 PolarHBondContact N-O 2.86Å; I610-A634 HydrophobicContact CD1-CB 3.74Å; I610-A634 HydrophobicContact CG1-CB 3.76Å; I610-N637 PolarHBondContact O-ND2 3.18Å; I610-N637 PolarHBondContact O-OD1 3.01Å | ||
| 611 | N | 95 | Very high | 90.7 | Very high | 26.6667 Ų | 26.6667 | 40.6 Ų | 40.6 | 14% | 0.143 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 137.9 | 177.9 | -73 | 2.6 | 0 | 0 | 0 | 112.4 | A589 N590 N609 N613 K633 A634 R635 | A589-N611 CarbonylContact C-O 3.39Å; A589-N611 WeakPolarHBondContact CA-O 3.35Å; A589-N611 HydrophobicContact CB-CB 4.14Å; A589-N611 WeakPolarHBondContact CB-O 3.45Å; N590-N611 PolarHBondContact N-O 3.04Å; N609-N611 VanDerWaalsContact C-N 3.26Å; N609-N611 PolarHBondContact O-N 3.06Å; N609-N611 VanDerWaalsContact OD1-CB 3.31Å; N609-N611 WeakPolarHBondContact OD1-CB 3.32Å; N609-N611 PolarHBondContact OD1-N 3.12Å; N609-N611 PolarHBondContact OD1-ND2 3.14Å; N609-N611 PolarHBondContact OD1-OD1 3.06Å; N611-N613 PolarHBondContact O-ND2 3.11Å; N611-K633 PolarHBondContact N-O 3.09Å; N611-K633 WeakPolarHBondContact OD1-CA 3.13Å; N611-K633 WeakPolarHBondContact OD1-CB 3.22Å; N611-K633 PolarHBondContact OD1-O 3.16Å; N611-K633 VanDerWaalsContact OD1-O 3.1Å; N611-A634 WeakPolarHBondContact OD1-CA 3.32Å; N611-A634 PolarHBondContact OD1-N 3.17Å; N611-A634 VanDerWaalsContact OD1-N 3.07Å; N611-R635 CarbonylContact C-O 3.43Å; N611-R635 VanDerWaalsContact C-O 3.27Å; N611-R635 WeakPolarHBondContact CA-O 3.29Å; N611-R635 HydrophobicContact CB-CB 4.45Å; N611-R635 WeakPolarHBondContact CB-O 3.31Å; N611-R635 WeakPolarHBondContact OD1-CB 3.48Å; N611-R635 PolarHBondContact OD1-N 2.99Å |
| 612 | G | 93.6 | Very high | 90.9 | Very high | 19.3333 Ų | 19.3333 | 40.3 Ų | 40.3 | 20% | 0.199 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 29.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | N590 N591 I610 R635 S636 N637 | N590-G612 WeakPolarHBondContact CA-O 3.4Å; N590-G612 PolarHBondContact N-O 2.83Å; N591-G612 PolarHBondContact N-O 3.43Å; I610-G612 PolarHBondContact O-N 2.87Å; G612-R635 PolarHBondContact N-O 3.13Å; G612-S636 CarbonylContact C-O 3.03Å; G612-S636 WeakPolarHBondContact CA-O 3.38Å; G612-S636 PolarHBondContact N-O 3.33Å; G612-S636 VanDerWaalsContact N-O 3.12Å; G612-N637 PolarHBondContact N-ND2 2.86Å |
| 613 | N | 94.4 | Very high | 91 | Very high | 5.33333 Ų | 5.33333 | 40.3 Ų | 40.3 | 3% | 0.029 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -105 | -168.9 | 175.7 | -73.9 | -86.5 | 0 | 0 | 0 | 110.7 | L588 N591 A592 L593 I610 N611 L615 S636 N637 | L588-N613 PolarHBondContact O-ND2 2.75Å; L588-N613 PolarHBondContact O-OD1 2.7Å; N591-N613 WeakPolarHBondContact CA-OD1 3.4Å; N591-N613 WeakPolarHBondContact CB-OD1 3.3Å; N591-N613 PolarHBondContact N-OD1 3.18Å; N591-N613 WeakPolarHBondContact O-CA 3.4Å; N591-N613 PolarHBondContact O-OD1 3.1Å; A592-N613 PolarHBondContact N-OD1 3.49Å; L593-N613 HydrophobicContact CB-CB 4.13Å; L593-N613 WeakPolarHBondContact CB-OD1 3.41Å; L593-N613 WeakPolarHBondContact CG-OD1 3.38Å; L593-N613 PolarHBondContact N-OD1 3.23Å; I610-N613 PolarHBondContact O-ND2 3.07Å; N611-N613 PolarHBondContact O-ND2 3.11Å; N613-L615 VanDerWaalsContact C-N 3.33Å; N613-L615 HydrophobicContact CB-CD1 4.46Å; N613-L615 HydrophobicContact CB-CG 4.14Å; N613-S636 PolarHBondContact N-O 3.17Å; N613-N637 VanDerWaalsContact CA-OD1 3.25Å; N613-N637 WeakPolarHBondContact CA-OD1 3.42Å; N613-N637 WeakPolarHBondContact CB-OD1 3.27Å; N613-N637 PolarHBondContact N-OD1 3.09Å; N613-N637 WeakPolarHBondContact O-CA 3.25Å; N613-N637 PolarHBondContact O-OD1 2.9Å; N613-N637 VanDerWaalsContact O-OD1 3.13Å |
| 614 | Q | 94.3 | Very high | 91 | Very high | 76 Ų | 76 | 39.1 Ų | 39.1 | 36% | 0.355 | 21% | 0.206 | S | C | . | . | trans | -108.8 | 29.1 | 179 | -62.7 | 179.7 | 7 | 0 | 0 | 111.3 | L593 K594 E616 N637 | L593-Q614 CarbonylContact O-C 3.42Å; L593-Q614 VanDerWaalsContact O-C 3.25Å; L593-Q614 WeakPolarHBondContact O-CA 3.37Å; L593-Q614 PolarHBondContact O-N 3.3Å; K594-Q614 HydrophobicContact CG-CB 4.22Å; Q614-E616 PolarHBondContact O-N 3.24Å; Q614-E616 VanDerWaalsContact O-N 3.17Å; Q614-N637 PolarHBondContact N-OD1 3.13Å | ||
| 615 | L | 93.7 | Very high | 90.5 | Very high | 0.333333 Ų | 0.333333 | 43.1 Ų | 43.1 | 0% | 0.002 | 22% | 0.224 | C | C | . | . | trans | -68 | 120.6 | -176.8 | -61 | 172.1 | 0 | 0 | 0 | 109.8 | L593 E595 L596 I610 N613 N637 H638 I639 | L593-L615 HydrophobicContact CB-CD2 4.27Å; L593-L615 PolarHBondContact O-N 3.23Å; E595-L615 WeakPolarHBondContact O-CD2 3.37Å; L596-L615 HydrophobicContact CD1-CD1 4.47Å; I610-L615 HydrophobicContact CB-CD1 3.99Å; I610-L615 HydrophobicContact CD1-CD1 3.44Å; I610-L615 VanDerWaalsContact CD1-CD1 3.42Å; I610-L615 HydrophobicContact CG1-CD1 4.1Å; I610-L615 HydrophobicContact CG2-CD1 4.3Å; N613-L615 VanDerWaalsContact C-N 3.33Å; N613-L615 HydrophobicContact CB-CD1 4.46Å; N613-L615 HydrophobicContact CB-CG 4.14Å; L615-N637 HydrophobicContact CB-CB 4.15Å; L615-N637 VanDerWaalsContact CB-OD1 3.32Å; L615-N637 WeakPolarHBondContact CB-OD1 3.29Å; L615-N637 VanDerWaalsContact CG-OD1 3.28Å; L615-N637 WeakPolarHBondContact CG-OD1 3.3Å; L615-N637 PolarHBondContact N-OD1 2.92Å; L615-N637 VanDerWaalsContact N-OD1 3.1Å; L615-H638 CarbonylContact O-C 3.38Å; L615-H638 VanDerWaalsContact O-CA 3.29Å; L615-H638 WeakPolarHBondContact O-CA 3.32Å; L615-H638 PolarHBondContact O-N 3.28Å; L615-H638 VanDerWaalsContact O-N 3.08Å; L615-I639 HydrophobicContact CB-CD1 4.44Å; L615-I639 HydrophobicContact CB-CG1 4.21Å; L615-I639 VanDerWaalsContact O-CG1 3.28Å; L615-I639 WeakPolarHBondContact O-CG1 3.32Å; L615-I639 PolarHBondContact O-N 3.13Å; L615-I639 VanDerWaalsContact O-N 3.16Å | ||
| 616 | E | 91.8 | Very high | 90.2 | Very high | 124.667 Ų | 124.667 | 43.2 Ų | 43.2 | 58% | 0.583 | 22% | 0.224 | S | C | * | . | trans | -86.9 | -25.9 | 177.1 | -67.4 | 169.8 | -163.2 | 0 | 0 | 111.9 | Q614 H638 | Q614-E616 PolarHBondContact O-N 3.24Å; Q614-E616 VanDerWaalsContact O-N 3.17Å; E616-H638 WeakPolarHBondContact CA-O 3.41Å; E616-H638 HydrophobicContact CG-CB 4.38Å | ||
| 617 | D | 91.3 | Very high | 89.7 | Confident | 37.6667 Ų | 37.6667 | 44.4 Ų | 44.4 | 20% | 0.201 | 24% | 0.238 | C | C | . | . | trans | -157.9 | 162.6 | -178.8 | -178.6 | 30.9 | 0 | 0 | 0 | 111.2 | L642 S643 | D617-L642 VanDerWaalsContact OD1-C 3.24Å; D617-L642 VanDerWaalsContact OD1-CA 3.23Å; D617-L642 WeakPolarHBondContact OD1-CA 3.32Å; D617-S643 PolarHBondContact OD1-N 3.21Å; D617-S643 WeakPolarHBondContact OD2-CB 3.31Å; D617-S643 PolarHBondContact OD2-N 3.26Å; D617-S643 PolarHBondContact OD2-OG 2.88Å | ||
| 618 | I | 91.2 | Very high | 89.5 | Confident | 0.333333 Ų | 0.333333 | 44.5 Ų | 44.5 | 0% | 0.002 | 24% | 0.241 | C | C | . | . | trans | -109.5 | 109.4 | 162.3 | -54 | 178.2 | 0 | 0 | 0 | 107.3 | L596 I610 A622 F623 L632 I639 L642 S643 S646 L659 | L596-I618 HydrophobicContact CB-CG2 4.48Å; L596-I618 HydrophobicContact CD1-CG1 4.26Å; L596-I618 HydrophobicContact CD1-CG2 4.3Å; L596-I618 HydrophobicContact CD2-CG2 4.08Å; I610-I618 HydrophobicContact CD1-CD1 4.03Å; I618-A622 HydrophobicContact CG2-CB 4.22Å; I618-F623 HydrophobicContact CG2-CD2 4.45Å; I618-F623 HydrophobicContact CG2-CE2 3.77Å; I618-F623 HydrophobicContact CG2-CZ 4.25Å; I618-L632 HydrophobicContact CD1-CD2 4.29Å; I618-I639 HydrophobicContact CD1-CD1 4.38Å; I618-I639 HydrophobicContact CG1-CD1 4.28Å; I618-L642 HydrophobicContact CB-CD2 3.92Å; I618-L642 HydrophobicContact CD1-CD2 4Å; I618-L642 HydrophobicContact CG1-CD2 3.84Å; I618-S643 WeakPolarHBondContact O-CB 3.32Å; I618-S646 WeakPolarHBondContact O-CB 3.36Å; I618-S646 PolarHBondContact O-OG 3.02Å; I618-L659 HydrophobicContact CD1-CD2 4.37Å | ||
| 619 | K | 86.3 | Confident | 89.3 | Confident | 108.333 Ų | 108.333 | 44.5 Ų | 44.5 | 47% | 0.471 | 24% | 0.241 | S | C | . | . | trans | -66.8 | 162.4 | -175 | -62.1 | 174 | -178.5 | 176.5 | 0 | 112.7 | E595 D621 A622 S646 | E595-K619 IonicContact OE2-NZ 3.36Å; E595-K619 PolarHBondContact OE2-NZ 3.39Å; K619-D621 PolarHBondContact O-N 3.13Å; K619-A622 HydrophobicContact CB-CB 4.36Å; K619-A622 VanDerWaalsContact O-CB 3.28Å; K619-A622 WeakPolarHBondContact O-CB 3.3Å; K619-A622 PolarHBondContact O-N 3.28Å; K619-A622 VanDerWaalsContact O-N 3.14Å; K619-S646 WeakPolarHBondContact O-CB 3.41Å | ||
| 620 | E | 83.9 | Confident | 89.3 | Confident | 88 Ų | 88 | 48.4 Ų | 48.4 | 41% | 0.411 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 176.4 | 171.8 | -69.3 | -178.3 | -169.8 | 0 | 0 | 112.4 | A622 S643 S644 N645 | E620-A622 PolarHBondContact O-N 3.02Å; E620-A622 VanDerWaalsContact O-N 3.14Å; E620-S643 PolarHBondContact OE1-OG 3.37Å; E620-S644 WeakPolarHBondContact CG-O 3.37Å; E620-S644 WeakPolarHBondContact OE1-CA 3.23Å; E620-S644 VanDerWaalsContact OE1-CB 3.25Å; E620-S644 WeakPolarHBondContact OE1-CB 3.29Å; E620-S644 PolarHBondContact OE1-N 3.45Å; E620-S644 VanDerWaalsContact OE1-O 3.07Å; E620-N645 HydrophobicContact CB-CB 4.12Å; E620-N645 VanDerWaalsContact CD-N 3.35Å; E620-N645 HydrophobicContact CG-CB 4.28Å; E620-N645 PolarHBondContact OE1-N 3.09Å; E620-N645 PolarHBondContact OE1-ND2 3.22Å; E620-N645 VanDerWaalsContact OE1-ND2 3.07Å; E620-N645 PolarHBondContact OE2-ND2 3.18Å |
| 621 | D | 83 | Confident | 89.3 | Confident | 130.667 Ų | 130.667 | 49.6 Ų | 49.6 | 70% | 0.699 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 24.8 | 8.9 | -178.9 | -56.3 | -29.7 | 0 | 0 | 0 | 115.7 | K619 F623 A624 | K619-D621 PolarHBondContact O-N 3.13Å; D621-F623 PolarHBondContact O-N 3.13Å; D621-F623 VanDerWaalsContact O-N 3.09Å; D621-A624 VanDerWaalsContact O-CB 3.32Å; D621-A624 WeakPolarHBondContact O-CB 3.05Å; D621-A624 PolarHBondContact O-N 3.1Å |
| 622 | A | 84.8 | Confident | 89.3 | Confident | 20.3333 Ų | 20.3333 | 48.3 Ų | 48.3 | 17% | 0.168 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -5.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L596 V599 I618 K619 E620 | L596-A622 HydrophobicContact CD2-CB 3.69Å; L596-A622 WeakPolarHBondContact CD2-O 3.33Å; V599-A622 WeakPolarHBondContact CG2-O 3.13Å; I618-A622 HydrophobicContact CG2-CB 4.22Å; K619-A622 HydrophobicContact CB-CB 4.36Å; K619-A622 VanDerWaalsContact O-CB 3.28Å; K619-A622 WeakPolarHBondContact O-CB 3.3Å; K619-A622 PolarHBondContact O-N 3.28Å; K619-A622 VanDerWaalsContact O-N 3.14Å; E620-A622 PolarHBondContact O-N 3.02Å; E620-A622 VanDerWaalsContact O-N 3.14Å |
| 623 | F | 89.1 | Confident | 89.4 | Confident | 1.66667 Ų | 1.66667 | 50 Ų | 50 | 1% | 0.007 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.1 | 24 | 175.9 | -60 | -69.2 | 0 | 0 | 0 | 113.1 | L596 V599 L608 I618 D621 N625 N626 L629 L632 S646 L647 E649 V650 | L596-F623 HydrophobicContact CD1-CE1 4.15Å; L596-F623 HydrophobicContact CD1-CZ 3.68Å; L596-F623 HydrophobicContact CD2-CD1 4.49Å; L596-F623 HydrophobicContact CD2-CE1 3.96Å; L596-F623 HydrophobicContact CD2-CE2 4.13Å; L596-F623 HydrophobicContact CD2-CZ 4.01Å; V599-F623 HydrophobicContact CG2-CD1 4.13Å; L608-F623 HydrophobicContact CD2-CE1 3.8Å; L608-F623 HydrophobicContact CD2-CZ 4.27Å; I618-F623 HydrophobicContact CG2-CD2 4.45Å; I618-F623 HydrophobicContact CG2-CE2 3.77Å; I618-F623 HydrophobicContact CG2-CZ 4.25Å; D621-F623 PolarHBondContact O-N 3.13Å; D621-F623 VanDerWaalsContact O-N 3.09Å; F623-N625 PolarHBondContact O-N 2.82Å; F623-N625 VanDerWaalsContact O-N 3.16Å; F623-N626 VanDerWaalsContact C-OD1 3.25Å; F623-N626 VanDerWaalsContact CA-OD1 3.31Å; F623-N626 WeakPolarHBondContact CA-OD1 3.32Å; F623-N626 HydrophobicContact CB-CB 4.38Å; F623-N626 WeakPolarHBondContact O-CB 3.42Å; F623-N626 PolarHBondContact O-N 2.92Å; F623-N626 PolarHBondContact O-OD1 2.89Å; F623-N626 VanDerWaalsContact O-OD1 3.13Å; F623-L629 HydrophobicContact CD1-CD2 3.77Å; F623-L629 HydrophobicContact CE1-CD2 3.71Å; F623-L629 HydrophobicContact CE2-CD2 4.43Å; F623-L629 HydrophobicContact CG-CD2 4.31Å; F623-L629 HydrophobicContact CZ-CD2 4.22Å; F623-L632 HydrophobicContact CE1-CD1 4.46Å; F623-L632 HydrophobicContact CE2-CD2 3.94Å; F623-L632 HydrophobicContact CZ-CD1 4.15Å; F623-L632 HydrophobicContact CZ-CD2 3.75Å; F623-L632 HydrophobicContact CZ-CG 4.37Å; F623-S646 VanDerWaalsContact CD2-O 3.25Å; F623-S646 WeakPolarHBondContact CD2-O 3.5Å; F623-S646 WeakPolarHBondContact CE2-O 3.27Å; F623-L647 HydrophobicContact CD2-CD2 4.28Å; F623-L647 HydrophobicContact CE2-CD2 3.68Å; F623-L647 HydrophobicContact CZ-CD2 4.41Å; F623-E649 HydrophobicContact CB-CB 4.46Å; F623-E649 PolarHBondContact N-OE2 3.38Å; F623-V650 HydrophobicContact CB-CG1 3.58Å; F623-V650 HydrophobicContact CB-CG2 4.32Å; F623-V650 HydrophobicContact CD1-CG1 4.18Å; F623-V650 HydrophobicContact CD2-CG1 4.44Å; F623-V650 HydrophobicContact CD2-CG2 3.99Å; F623-V650 HydrophobicContact CE2-CG2 4.45Å; F623-V650 HydrophobicContact CG-CG1 3.98Å; F623-V650 HydrophobicContact CG-CG2 4.24Å |
| 624 | A | 83.9 | Confident | 89.5 | Confident | 24 Ų | 24 | 49.7 Ų | 49.7 | 20% | 0.198 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 121.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S600 D621 E649 | S600-A624 WeakPolarHBondContact CA-O 3.17Å; S600-A624 WeakPolarHBondContact CB-O 3.38Å; D621-A624 VanDerWaalsContact O-CB 3.32Å; D621-A624 WeakPolarHBondContact O-CB 3.05Å; D621-A624 PolarHBondContact O-N 3.1Å; A624-E649 VanDerWaalsContact CA-OE1 3.3Å; A624-E649 WeakPolarHBondContact CA-OE1 3.4Å; A624-E649 VanDerWaalsContact CA-OE2 3.31Å; A624-E649 WeakPolarHBondContact CA-OE2 3.22Å; A624-E649 WeakPolarHBondContact CB-OE1 3.21Å; A624-E649 PolarHBondContact N-OE2 3.2Å |
| 625 | N | 80 | Confident | 89.5 | Confident | 112 Ų | 112 | 49.4 Ų | 49.4 | 60% | 0.599 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 21.2 | -172.7 | -41.4 | -84.2 | 0 | 0 | 0 | 116.2 | F623 P627 | F623-N625 PolarHBondContact O-N 2.82Å; F623-N625 VanDerWaalsContact O-N 3.16Å; N625-P627 WeakPolarHBondContact O-CD 3.42Å |
| 626 | N | 84.1 | Confident | 89.6 | Confident | 1.33333 Ų | 1.33333 | 51.3 Ų | 51.3 | 1% | 0.007 | 26% | 0.264 | C | S | . | . | trans | -106.9 | 49 | 172 | -54.5 | 110.9 | 0 | 0 | 0 | 114.8 | V599 L602 F623 T628 L629 V650 | V599-N626 VanDerWaalsContact CG2-OD1 3.3Å; V599-N626 WeakPolarHBondContact CG2-OD1 3.45Å; V599-N626 PolarHBondContact O-ND2 3.34Å; V599-N626 PolarHBondContact O-OD1 3.32Å; L602-N626 PolarHBondContact O-ND2 3.21Å; F623-N626 VanDerWaalsContact C-OD1 3.25Å; F623-N626 VanDerWaalsContact CA-OD1 3.31Å; F623-N626 WeakPolarHBondContact CA-OD1 3.32Å; F623-N626 HydrophobicContact CB-CB 4.38Å; F623-N626 WeakPolarHBondContact O-CB 3.42Å; F623-N626 PolarHBondContact O-N 2.92Å; F623-N626 PolarHBondContact O-OD1 2.89Å; F623-N626 VanDerWaalsContact O-OD1 3.13Å; N626-T628 PolarHBondContact O-N 3.17Å; N626-L629 WeakPolarHBondContact O-CB 3.34Å; N626-L629 PolarHBondContact O-N 3.02Å; N626-V650 HydrophobicContact CB-CG1 4.45Å; N626-V650 WeakPolarHBondContact O-CG1 3.34Å | ||
| 627 | P | 83.5 | Confident | 89.8 | Confident | 91 Ų | 91 | 45.7 Ų | 45.7 | 59% | 0.591 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | 5.1 | -173.4 | 34.6 | -39.9 | 0 | 0 | 0 | 114.5 | N625 S653 | N625-P627 WeakPolarHBondContact O-CD 3.42Å; P627-S653 VanDerWaalsContact O-CB 3.28Å; P627-S653 WeakPolarHBondContact O-CB 3.24Å |
| 628 | T | 89.6 | Confident | 89.9 | Confident | 47.6667 Ų | 47.6667 | 48.8 Ų | 48.8 | 29% | 0.292 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -4.4 | 177.5 | 47.6 | 0 | 0 | 0 | 0 | 113.1 | A603 A604 L605 Q606 N626 R630 | A603-T628 PolarHBondContact O-OG1 2.71Å; A603-T628 VanDerWaalsContact O-OG1 3.07Å; A604-T628 VanDerWaalsContact C-OG1 3.3Å; A604-T628 WeakPolarHBondContact CA-OG1 3.4Å; A604-T628 PolarHBondContact O-OG1 3.02Å; L605-T628 PolarHBondContact N-OG1 2.93Å; L605-T628 VanDerWaalsContact N-OG1 3.12Å; L605-T628 CarbonylContact O-C 3.44Å; L605-T628 WeakPolarHBondContact O-CB 3.39Å; L605-T628 PolarHBondContact O-OG1 3.05Å; L605-T628 VanDerWaalsContact O-OG1 3.04Å; Q606-T628 WeakPolarHBondContact CA-O 3.31Å; Q606-T628 WeakPolarHBondContact CG-O 3.16Å; N626-T628 PolarHBondContact O-N 3.17Å; T628-R630 WeakPolarHBondContact O-CG 3.31Å; T628-R630 PolarHBondContact O-N 2.91Å |
| 629 | L | 92.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -69.7 | 115.8 | -173.6 | -171.6 | 71.8 | 0 | 0 | 0 | 111.3 | L605 L608 F623 N626 L632 V650 S653 L654 | L605-L629 HydrophobicContact CD2-CD1 4.13Å; L605-L629 HydrophobicContact CG-CD1 3.96Å; L605-L629 VanDerWaalsContact O-CA 3.31Å; L605-L629 WeakPolarHBondContact O-CA 3.19Å; L605-L629 PolarHBondContact O-N 3.06Å; L605-L629 VanDerWaalsContact O-N 3.15Å; L608-L629 HydrophobicContact CB-CD1 3.95Å; F623-L629 HydrophobicContact CD1-CD2 3.77Å; F623-L629 HydrophobicContact CE1-CD2 3.71Å; F623-L629 HydrophobicContact CE2-CD2 4.43Å; F623-L629 HydrophobicContact CG-CD2 4.31Å; F623-L629 HydrophobicContact CZ-CD2 4.22Å; N626-L629 WeakPolarHBondContact O-CB 3.34Å; N626-L629 PolarHBondContact O-N 3.02Å; L629-L632 HydrophobicContact CD2-CB 4.47Å; L629-V650 HydrophobicContact CB-CB 4.3Å; L629-V650 HydrophobicContact CB-CG1 3.78Å; L629-V650 HydrophobicContact CD2-CB 4.35Å; L629-V650 HydrophobicContact CD2-CG1 3.99Å; L629-V650 HydrophobicContact CD2-CG2 4.31Å; L629-V650 HydrophobicContact CG-CG1 4.33Å; L629-S653 PolarHBondContact N-OG 3.45Å; L629-S653 CarbonylContact O-C 3.52Å; L629-S653 VanDerWaalsContact O-CB 3.28Å; L629-S653 WeakPolarHBondContact O-CB 3.42Å; L629-S653 PolarHBondContact O-OG 2.86Å; L629-L654 HydrophobicContact CD2-CD1 4.21Å; L629-L654 HydrophobicContact CD2-CD2 4.08Å; L629-L654 HydrophobicContact CG-CD1 4.09Å; L629-L654 HydrophobicContact CG-CD2 3.91Å; L629-L654 VanDerWaalsContact O-CA 3.24Å; L629-L654 WeakPolarHBondContact O-CA 3.39Å; L629-L654 PolarHBondContact O-N 2.84Å | ||
| 630 | R | 93.8 | Very high | 90.3 | Very high | 102 Ų | 102 | 46.7 Ų | 46.7 | 39% | 0.385 | 25% | 0.249 | S | C | . | . | trans | -108.5 | -27.7 | -176.4 | -69.5 | 168.1 | 73.2 | -167.9 | 2.1 | 113.2 | Q606 T628 S653 E655 M656 | Q606-R630 CarbonylContact O-C 3.51Å; Q606-R630 WeakPolarHBondContact O-CA 3.27Å; Q606-R630 WeakPolarHBondContact O-CB 3.26Å; Q606-R630 PolarHBondContact O-N 3.07Å; Q606-R630 VanDerWaalsContact OE1-NH1 3.1Å; T628-R630 WeakPolarHBondContact O-CG 3.31Å; T628-R630 PolarHBondContact O-N 2.91Å; R630-S653 WeakPolarHBondContact CA-O 3.23Å; R630-S653 WeakPolarHBondContact CG-O 3.23Å; R630-E655 HydrophobicContact CB-CG 4.45Å; R630-E655 HydrophobicContact CG-CG 4.4Å; R630-E655 IonicContact CZ-OE1 3.32Å; R630-E655 VanDerWaalsContact CZ-OE1 3.25Å; R630-E655 IonicContact CZ-OE2 3.41Å; R630-E655 VanDerWaalsContact NE-CD 3.31Å; R630-E655 IonicContact NE-OE1 2.79Å; R630-E655 PolarHBondContact NE-OE1 3.12Å; R630-E655 IonicContact NE-OE2 2.81Å; R630-E655 PolarHBondContact NE-OE2 3.14Å; R630-E655 VanDerWaalsContact NH2-CD 3.26Å; R630-E655 IonicContact NH2-OE1 3.26Å; R630-E655 PolarHBondContact NH2-OE1 3.39Å; R630-E655 IonicContact NH2-OE2 2.91Å; R630-E655 PolarHBondContact NH2-OE2 2.84Å; R630-E655 WeakPolarHBondContact O-CA 3.37Å; R630-E655 WeakPolarHBondContact O-CB 3.48Å; R630-E655 PolarHBondContact O-N 3.25Å; R630-M656 PolarHBondContact O-N 3.04Å | ||
| 631 | V | 95.9 | Very high | 90.6 | Very high | 24 Ų | 24 | 46 Ų | 46 | 15% | 0.145 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 120.1 | -177.4 | -178.9 | 0 | 0 | 0 | 0 | 109.8 | Q606 I607 L608 K633 M656 | Q606-V631 PolarHBondContact O-N 3.03Å; I607-V631 CarbonylContact C-O 3.07Å; I607-V631 WeakPolarHBondContact CA-O 3.43Å; I607-V631 HydrophobicContact CB-CB 4.36Å; I607-V631 HydrophobicContact CG1-CB 4.1Å; I607-V631 HydrophobicContact CG1-CG2 4.28Å; I607-V631 HydrophobicContact CG2-CB 4.1Å; I607-V631 HydrophobicContact CG2-CG1 4.17Å; L608-V631 PolarHBondContact N-O 3.22Å; V631-K633 HydrophobicContact CG1-CD 4.36Å; V631-K633 VanDerWaalsContact CG1-CE 3.45Å; V631-K633 HydrophobicContact CG1-CG 3.96Å; V631-M656 WeakPolarHBondContact CA-O 3.24Å; V631-M656 HydrophobicContact CB-CB 4.49Å; V631-M656 HydrophobicContact CG1-CB 4.17Å; V631-M656 HydrophobicContact CG1-CG 4.33Å; V631-M656 HydrophobicContact CG1-SD 4.12Å; V631-M656 HydrophobicContact CG2-CB 4.23Å |
| 632 | L | 95.1 | Very high | 91 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 120.7 | 173.6 | 178.4 | 59.3 | 0 | 0 | 0 | 109.3 | L608 I610 I618 F623 L629 L647 L654 M656 L657 D658 | L608-L632 HydrophobicContact CB-CD1 3.93Å; L608-L632 HydrophobicContact CD2-CD1 3.85Å; L608-L632 HydrophobicContact CG-CD1 4.01Å; L608-L632 CarbonylContact O-C 3.56Å; L608-L632 WeakPolarHBondContact O-CA 3.41Å; I610-L632 HydrophobicContact CD1-CD1 4.14Å; I610-L632 HydrophobicContact CG1-CD1 4.32Å; I618-L632 HydrophobicContact CD1-CD2 4.29Å; F623-L632 HydrophobicContact CE1-CD1 4.46Å; F623-L632 HydrophobicContact CE2-CD2 3.94Å; F623-L632 HydrophobicContact CZ-CD1 4.15Å; F623-L632 HydrophobicContact CZ-CD2 3.75Å; F623-L632 HydrophobicContact CZ-CG 4.37Å; L629-L632 HydrophobicContact CD2-CB 4.47Å; L632-L647 HydrophobicContact CD2-CD2 3.6Å; L632-L654 HydrophobicContact CB-CD1 3.82Å; L632-L654 HydrophobicContact CB-CD2 4.2Å; L632-M656 PolarHBondContact N-O 2.79Å; L632-L657 HydrophobicContact CB-CD1 3.95Å; L632-L657 HydrophobicContact CD2-CD1 3.79Å; L632-L657 HydrophobicContact CG-CD1 3.91Å; L632-L657 CarbonylContact O-C 3.23Å; L632-L657 VanDerWaalsContact O-CA 3.3Å; L632-L657 WeakPolarHBondContact O-CA 3.28Å; L632-D658 PolarHBondContact O-N 3.17Å |
| 633 | K | 95.8 | Very high | 91.1 | Very high | 54.6667 Ų | 54.6667 | 41 Ų | 41 | 24% | 0.238 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 120.1 | 176.6 | -48.1 | -174.3 | -179.2 | -178.7 | 0 | 109.5 | L608 N609 I610 N611 V631 D658 | L608-K633 PolarHBondContact O-N 2.95Å; N609-K633 CarbonylContact C-O 3.5Å; N609-K633 WeakPolarHBondContact CA-O 3.49Å; N609-K633 HydrophobicContact CB-CB 4.5Å; I610-K633 CarbonylContact C-O 3.52Å; I610-K633 WeakPolarHBondContact CA-O 3.33Å; I610-K633 WeakPolarHBondContact CG1-O 3.13Å; I610-K633 PolarHBondContact N-O 2.86Å; N611-K633 PolarHBondContact N-O 3.09Å; N611-K633 WeakPolarHBondContact OD1-CA 3.13Å; N611-K633 WeakPolarHBondContact OD1-CB 3.22Å; N611-K633 PolarHBondContact OD1-O 3.16Å; N611-K633 VanDerWaalsContact OD1-O 3.1Å; V631-K633 HydrophobicContact CG1-CD 4.36Å; V631-K633 VanDerWaalsContact CG1-CE 3.45Å; V631-K633 HydrophobicContact CG1-CG 3.96Å; K633-D658 HydrophobicContact CB-CB 4.22Å; K633-D658 HydrophobicContact CG-CB 4.25Å |
| 634 | A | 95.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -133.8 | 30.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I610 N611 N637 I639 D658 L659 N662 | I610-A634 HydrophobicContact CD1-CB 3.74Å; I610-A634 HydrophobicContact CG1-CB 3.76Å; N611-A634 WeakPolarHBondContact OD1-CA 3.32Å; N611-A634 PolarHBondContact OD1-N 3.17Å; N611-A634 VanDerWaalsContact OD1-N 3.07Å; A634-N637 VanDerWaalsContact C-ND2 3.3Å; A634-N637 PolarHBondContact O-ND2 3.26Å; A634-I639 HydrophobicContact CB-CD1 3.95Å; A634-D658 CarbonylContact C-O 3.29Å; A634-D658 WeakPolarHBondContact CA-O 3.43Å; A634-D658 PolarHBondContact N-O 2.8Å; A634-L659 HydrophobicContact CB-CD2 3.97Å; A634-N662 PolarHBondContact O-ND2 3.21Å | ||
| 635 | R | 95.3 | Very high | 90.7 | Very high | 68.6667 Ų | 68.6667 | 45.9 Ų | 45.9 | 26% | 0.259 | 25% | 0.25 | S | S | . | . | trans | -59.2 | 143.7 | 176.2 | 173.4 | 176.6 | -171.5 | 111.3 | 3.1 | 112 | N611 G612 N637 D658 S660 K661 E685 | N611-R635 CarbonylContact C-O 3.43Å; N611-R635 VanDerWaalsContact C-O 3.27Å; N611-R635 WeakPolarHBondContact CA-O 3.29Å; N611-R635 HydrophobicContact CB-CB 4.45Å; N611-R635 WeakPolarHBondContact CB-O 3.31Å; N611-R635 WeakPolarHBondContact OD1-CB 3.48Å; N611-R635 PolarHBondContact OD1-N 2.99Å; G612-R635 PolarHBondContact N-O 3.13Å; R635-N637 PolarHBondContact O-ND2 2.83Å; R635-D658 WeakPolarHBondContact CB-OD2 3.48Å; R635-D658 PolarHBondContact N-O 2.97Å; R635-S660 CarbonylContact C-O 3.22Å; R635-S660 WeakPolarHBondContact CA-O 3.27Å; R635-S660 WeakPolarHBondContact CB-O 3.47Å; R635-S660 WeakPolarHBondContact CB-OG 2.97Å; R635-S660 WeakPolarHBondContact CD-OG 3.2Å; R635-S660 VanDerWaalsContact CG-O 3.29Å; R635-S660 WeakPolarHBondContact CG-O 3.15Å; R635-S660 VanDerWaalsContact CG-OG 3.23Å; R635-S660 WeakPolarHBondContact CG-OG 3.4Å; R635-S660 VanDerWaalsContact CZ-OG 3.28Å; R635-S660 PolarHBondContact NE-OG 3.39Å; R635-S660 PolarHBondContact NH1-OG 3.3Å; R635-K661 HydrophobicContact CG-CB 4.2Å; R635-E685 IonicContact CZ-OE1 3.05Å; R635-E685 IonicContact CZ-OE2 3.54Å; R635-E685 IonicContact NH1-OE1 2.76Å; R635-E685 VanDerWaalsContact NH2-CD 3.33Å; R635-E685 IonicContact NH2-OE1 3.33Å; R635-E685 PolarHBondContact NH2-OE1 3.14Å; R635-E685 IonicContact NH2-OE2 3.44Å; R635-E685 PolarHBondContact NH2-OE2 2.79Å | ||
| 636 | S | 95.9 | Very high | 91 | Very high | 39.6667 Ų | 39.6667 | 40.6 Ų | 40.6 | 28% | 0.277 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 62.2 | 49.5 | 178.4 | -52.7 | 0 | 0 | 0 | 0 | 113.6 | G612 N613 S660 K661 | G612-S636 CarbonylContact C-O 3.03Å; G612-S636 WeakPolarHBondContact CA-O 3.38Å; G612-S636 PolarHBondContact N-O 3.33Å; G612-S636 VanDerWaalsContact N-O 3.12Å; N613-S636 PolarHBondContact N-O 3.17Å; S636-S660 PolarHBondContact N-O 3.2Å; S636-K661 WeakPolarHBondContact CA-O 3.32Å; S636-K661 PolarHBondContact N-O 3.01Å; S636-K661 VanDerWaalsContact N-O 3.13Å; S636-K661 VanDerWaalsContact OG-CD 3.32Å; S636-K661 WeakPolarHBondContact OG-CD 3.45Å |
| 637 | N | 94.9 | Very high | 91.3 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 4% | 0.037 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -112.5 | -161.4 | 169.2 | -80 | -86.1 | 0 | 0 | 0 | 109.9 | I610 G612 N613 Q614 L615 A634 R635 I639 N662 | I610-N637 PolarHBondContact O-ND2 3.18Å; I610-N637 PolarHBondContact O-OD1 3.01Å; G612-N637 PolarHBondContact N-ND2 2.86Å; N613-N637 VanDerWaalsContact CA-OD1 3.25Å; N613-N637 WeakPolarHBondContact CA-OD1 3.42Å; N613-N637 WeakPolarHBondContact CB-OD1 3.27Å; N613-N637 PolarHBondContact N-OD1 3.09Å; N613-N637 WeakPolarHBondContact O-CA 3.25Å; N613-N637 PolarHBondContact O-OD1 2.9Å; N613-N637 VanDerWaalsContact O-OD1 3.13Å; Q614-N637 PolarHBondContact N-OD1 3.13Å; L615-N637 HydrophobicContact CB-CB 4.15Å; L615-N637 VanDerWaalsContact CB-OD1 3.32Å; L615-N637 WeakPolarHBondContact CB-OD1 3.29Å; L615-N637 VanDerWaalsContact CG-OD1 3.28Å; L615-N637 WeakPolarHBondContact CG-OD1 3.3Å; L615-N637 PolarHBondContact N-OD1 2.92Å; L615-N637 VanDerWaalsContact N-OD1 3.1Å; A634-N637 VanDerWaalsContact C-ND2 3.3Å; A634-N637 PolarHBondContact O-ND2 3.26Å; R635-N637 PolarHBondContact O-ND2 2.83Å; N637-I639 HydrophobicContact CB-CD1 4.08Å; N637-I639 HydrophobicContact CB-CG1 3.87Å; N637-N662 VanDerWaalsContact CA-OD1 3.24Å; N637-N662 WeakPolarHBondContact CA-OD1 3.22Å; N637-N662 WeakPolarHBondContact CB-OD1 3.43Å; N637-N662 PolarHBondContact N-OD1 2.94Å; N637-N662 VanDerWaalsContact N-OD1 3.13Å; N637-N662 PolarHBondContact O-OD1 3.12Å |
| 638 | H | 94.5 | Very high | 91.5 | Very high | 103.667 Ų | 103.667 | 43.6 Ų | 43.6 | 48% | 0.48 | 22% | 0.223 | S | C | . | . | trans | -114.7 | 30.3 | 174.4 | -59.7 | -28.4 | 0 | 0 | 0 | 111.2 | L615 E616 C640 N662 C663 | L615-H638 CarbonylContact O-C 3.38Å; L615-H638 VanDerWaalsContact O-CA 3.29Å; L615-H638 WeakPolarHBondContact O-CA 3.32Å; L615-H638 PolarHBondContact O-N 3.28Å; L615-H638 VanDerWaalsContact O-N 3.08Å; E616-H638 WeakPolarHBondContact CA-O 3.41Å; E616-H638 HydrophobicContact CG-CB 4.38Å; H638-C640 PolarHBondContact O-N 2.93Å; H638-C640 VanDerWaalsContact O-N 3.08Å; H638-N662 PolarHBondContact N-OD1 3.22Å; H638-C663 PolarHBondContact O-SG 2.99Å; H638-C663 VanDerWaalsContact O-SG 3.37Å | ||
| 639 | I | 94.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -74.9 | 94.8 | -176.6 | -57.7 | 174.5 | 0 | 0 | 0 | 108.3 | L615 I618 A634 N637 T641 L642 L659 N662 C663 L664 | L615-I639 HydrophobicContact CB-CD1 4.44Å; L615-I639 HydrophobicContact CB-CG1 4.21Å; L615-I639 VanDerWaalsContact O-CG1 3.28Å; L615-I639 WeakPolarHBondContact O-CG1 3.32Å; L615-I639 PolarHBondContact O-N 3.13Å; L615-I639 VanDerWaalsContact O-N 3.16Å; I618-I639 HydrophobicContact CD1-CD1 4.38Å; I618-I639 HydrophobicContact CG1-CD1 4.28Å; A634-I639 HydrophobicContact CB-CD1 3.95Å; N637-I639 HydrophobicContact CB-CD1 4.08Å; N637-I639 HydrophobicContact CB-CG1 3.87Å; I639-T641 VanDerWaalsContact C-N 3.31Å; I639-T641 WeakPolarHBondContact CG2-O 3.33Å; I639-L642 HydrophobicContact CG2-CD2 3.58Å; I639-L642 HydrophobicContact CG2-CG 4.31Å; I639-L659 HydrophobicContact CD1-CD2 4.07Å; I639-N662 HydrophobicContact CB-CB 4.34Å; I639-N662 WeakPolarHBondContact CB-OD1 3.29Å; I639-N662 PolarHBondContact N-OD1 3.22Å; I639-N662 VanDerWaalsContact N-OD1 3.1Å; I639-N662 WeakPolarHBondContact O-CB 3.42Å; I639-C663 CarbonylContact O-C 3.3Å; I639-C663 PolarHBondContact O-N 2.95Å; I639-L664 HydrophobicContact CG2-CD2 4.2Å; I639-L664 WeakPolarHBondContact O-CD2 3.17Å; I639-L664 WeakPolarHBondContact O-CG 3.15Å; I639-L664 PolarHBondContact O-N 3.43Å | ||
| 640 | C | 92.1 | Very high | 91.2 | Very high | 64.6667 Ų | 64.6667 | 45.3 Ų | 45.3 | 44% | 0.437 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -91.6 | -17.1 | 177.4 | -48.9 | 0 | 0 | 0 | 0 | 112.5 | H638 C663 | H638-C640 PolarHBondContact O-N 2.93Å; H638-C640 VanDerWaalsContact O-N 3.08Å; C640-C663 WeakPolarHBondContact CA-O 3.33Å; C640-C663 WeakPolarHBondContact CA-SG 3.45Å; C640-C663 HydrophobicContact CB-CB 3.93Å; C640-C663 WeakPolarHBondContact CB-O 3.32Å; C640-C663 WeakPolarHBondContact CB-SG 3.38Å; C640-C663 PolarHBondContact N-SG 2.75Å; C640-C663 WeakPolarHBondContact SG-CB 3.28Å; C640-C663 CovalentContact SG-SG 2.04Å; C640-C663 PolarHBondContact SG-SG 2.72Å |
| 641 | T | 89.3 | Confident | 91 | Very high | 73.3333 Ų | 73.3333 | 41.5 Ų | 41.5 | 45% | 0.45 | 21% | 0.214 | S | C | . | . | trans | -146.3 | 167.7 | 172.7 | 159.7 | 0 | 0 | 0 | 0 | 109.1 | I639 K1427 | I639-T641 VanDerWaalsContact C-N 3.31Å; I639-T641 WeakPolarHBondContact CG2-O 3.33Å; T641-K1427 WeakPolarHBondContact OG1-CE 3.36Å; T641-K1427 PolarHBondContact OG1-NZ 2.91Å | ||
| 642 | L | 91.1 | Very high | 90.6 | Very high | 12.3333 Ų | 12.3333 | 45 Ų | 45 | 7% | 0.065 | 23% | 0.232 | C | C | . | . | trans | -113.7 | 149.2 | 160.3 | -70 | -174.6 | 0 | 0 | 0 | 109.5 | D617 I618 I639 L647 L659 P668 N671 | D617-L642 VanDerWaalsContact OD1-C 3.24Å; D617-L642 VanDerWaalsContact OD1-CA 3.23Å; D617-L642 WeakPolarHBondContact OD1-CA 3.32Å; I618-L642 HydrophobicContact CB-CD2 3.92Å; I618-L642 HydrophobicContact CD1-CD2 4Å; I618-L642 HydrophobicContact CG1-CD2 3.84Å; I639-L642 HydrophobicContact CG2-CD2 3.58Å; I639-L642 HydrophobicContact CG2-CG 4.31Å; L642-L647 HydrophobicContact CD1-CD1 4.32Å; L642-L659 HydrophobicContact CD1-CD1 4.09Å; L642-P668 HydrophobicContact CB-CB 4.2Å; L642-P668 HydrophobicContact CD1-CB 3.79Å; L642-P668 HydrophobicContact CD1-CG 3.97Å; L642-P668 HydrophobicContact CG-CB 4.08Å; L642-P668 HydrophobicContact CG-CG 4.39Å; L642-N671 WeakPolarHBondContact CB-OD1 3.14Å; L642-N671 HydrophobicContact CD1-CB 4.22Å; L642-N671 WeakPolarHBondContact CD1-OD1 3.36Å | ||
| 643 | S | 88.1 | Confident | 90.4 | Very high | 33.3333 Ų | 33.3333 | 45.7 Ų | 45.7 | 23% | 0.233 | 24% | 0.237 | C | C | . | . | trans | -64.3 | 152 | 170.9 | -106.4 | 0 | 0 | 0 | 0 | 111.7 | D617 I618 E620 N645 S646 N671 E1422 | D617-S643 PolarHBondContact OD1-N 3.21Å; D617-S643 WeakPolarHBondContact OD2-CB 3.31Å; D617-S643 PolarHBondContact OD2-N 3.26Å; D617-S643 PolarHBondContact OD2-OG 2.88Å; I618-S643 WeakPolarHBondContact O-CB 3.32Å; E620-S643 PolarHBondContact OE1-OG 3.37Å; S643-N645 VanDerWaalsContact C-N 3.34Å; S643-N645 PolarHBondContact O-N 3.01Å; S643-N645 VanDerWaalsContact O-N 3.15Å; S643-S646 VanDerWaalsContact O-CB 3.31Å; S643-S646 WeakPolarHBondContact O-CB 3.36Å; S643-S646 PolarHBondContact O-N 3.01Å; S643-S646 PolarHBondContact O-OG 3.15Å; S643-N671 PolarHBondContact O-ND2 3.13Å; S643-E1422 VanDerWaalsContact C-OE2 3.3Å; S643-E1422 WeakPolarHBondContact CA-OE2 3.43Å | ||
| 644 | S | 80.6 | Confident | 90.3 | Very high | 46 Ų | 46 | 43.3 Ų | 43.3 | 32% | 0.322 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 140.4 | 178.9 | -78.1 | 0 | 0 | 0 | 0 | 112.2 | E620 S646 Q670 E1422 | E620-S644 WeakPolarHBondContact CG-O 3.37Å; E620-S644 WeakPolarHBondContact OE1-CA 3.23Å; E620-S644 VanDerWaalsContact OE1-CB 3.25Å; E620-S644 WeakPolarHBondContact OE1-CB 3.29Å; E620-S644 PolarHBondContact OE1-N 3.45Å; E620-S644 VanDerWaalsContact OE1-O 3.07Å; S644-S646 PolarHBondContact O-N 3.09Å; S644-Q670 VanDerWaalsContact CB-NE2 3.35Å; S644-Q670 WeakPolarHBondContact O-CG 3.36Å; S644-Q670 PolarHBondContact O-NE2 2.72Å; S644-Q670 PolarHBondContact OG-NE2 3.1Å; S644-Q670 PolarHBondContact OG-OE1 3.26Å; S644-E1422 WeakPolarHBondContact CA-OE1 3.33Å; S644-E1422 WeakPolarHBondContact CA-OE2 3.46Å; S644-E1422 VanDerWaalsContact CB-OE2 3.3Å; S644-E1422 WeakPolarHBondContact CB-OE2 3.39Å; S644-E1422 VanDerWaalsContact N-CD 3.29Å; S644-E1422 PolarHBondContact N-OE1 3.4Å; S644-E1422 VanDerWaalsContact N-OE1 3.12Å; S644-E1422 PolarHBondContact N-OE2 3.16Å; S644-E1422 PolarHBondContact OG-OE2 2.81Å |
| 645 | N | 82.9 | Confident | 90.3 | Very high | 81.6667 Ų | 81.6667 | 46.4 Ų | 46.4 | 44% | 0.437 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 6.5 | 175.5 | -49.3 | -57.7 | 0 | 0 | 0 | 115.8 | E620 S643 L647 Y648 | E620-N645 HydrophobicContact CB-CB 4.12Å; E620-N645 VanDerWaalsContact CD-N 3.35Å; E620-N645 HydrophobicContact CG-CB 4.28Å; E620-N645 PolarHBondContact OE1-N 3.09Å; E620-N645 PolarHBondContact OE1-ND2 3.22Å; E620-N645 VanDerWaalsContact OE1-ND2 3.07Å; E620-N645 PolarHBondContact OE2-ND2 3.18Å; S643-N645 VanDerWaalsContact C-N 3.34Å; S643-N645 PolarHBondContact O-N 3.01Å; S643-N645 VanDerWaalsContact O-N 3.15Å; N645-L647 PolarHBondContact O-N 2.91Å; N645-Y648 WeakPolarHBondContact O-CB 3.32Å; N645-Y648 PolarHBondContact O-N 2.95Å; N645-Y648 VanDerWaalsContact O-N 3.12Å |
| 646 | S | 86.4 | Confident | 90.3 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.007 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 127.5 | 177 | 77.2 | 0 | 0 | 0 | 0 | 112.7 | I618 K619 F623 S643 S644 Y648 N671 | I618-S646 WeakPolarHBondContact O-CB 3.36Å; I618-S646 PolarHBondContact O-OG 3.02Å; K619-S646 WeakPolarHBondContact O-CB 3.41Å; F623-S646 VanDerWaalsContact CD2-O 3.25Å; F623-S646 WeakPolarHBondContact CD2-O 3.5Å; F623-S646 WeakPolarHBondContact CE2-O 3.27Å; S643-S646 VanDerWaalsContact O-CB 3.31Å; S643-S646 WeakPolarHBondContact O-CB 3.36Å; S643-S646 PolarHBondContact O-N 3.01Å; S643-S646 PolarHBondContact O-OG 3.15Å; S644-S646 PolarHBondContact O-N 3.09Å; S646-Y648 PolarHBondContact O-N 3.41Å; S646-N671 PolarHBondContact N-ND2 2.87Å; S646-N671 PolarHBondContact O-ND2 3.11Å; S646-N671 PolarHBondContact OG-ND2 3.07Å |
| 647 | L | 89.9 | Confident | 90.3 | Very high | 5.66667 Ų | 5.66667 | 43.1 Ų | 43.1 | 3% | 0.03 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | -0.5 | -175.3 | -51.8 | 179.2 | 0 | 0 | 0 | 114.9 | F623 L632 L642 N645 E649 V650 K651 L654 L657 N671 L672 | F623-L647 HydrophobicContact CD2-CD2 4.28Å; F623-L647 HydrophobicContact CE2-CD2 3.68Å; F623-L647 HydrophobicContact CZ-CD2 4.41Å; L632-L647 HydrophobicContact CD2-CD2 3.6Å; L642-L647 HydrophobicContact CD1-CD1 4.32Å; N645-L647 PolarHBondContact O-N 2.91Å; L647-E649 VanDerWaalsContact C-N 3.29Å; L647-E649 PolarHBondContact O-N 3.25Å; L647-V650 HydrophobicContact CB-CG2 4.19Å; L647-V650 HydrophobicContact CD2-CG2 4.23Å; L647-V650 CarbonylContact O-C 3.6Å; L647-V650 VanDerWaalsContact O-CG2 3.32Å; L647-V650 WeakPolarHBondContact O-CG2 3.33Å; L647-V650 PolarHBondContact O-N 2.89Å; L647-K651 WeakPolarHBondContact O-CB 3.39Å; L647-K651 PolarHBondContact O-N 3.07Å; L647-L654 HydrophobicContact CB-CD1 4.39Å; L647-L654 HydrophobicContact CD1-CD1 4.19Å; L647-L654 HydrophobicContact CD2-CD1 4.27Å; L647-L657 HydrophobicContact CD1-CD1 4.33Å; L647-L657 HydrophobicContact CD1-CD2 3.94Å; L647-N671 HydrophobicContact CB-CB 4.17Å; L647-N671 HydrophobicContact CD1-CB 3.89Å; L647-N671 HydrophobicContact CG-CB 4Å; L647-L672 HydrophobicContact CD1-CD2 4.48Å |
| 648 | Y | 88.8 | Confident | 90.4 | Very high | 149.333 Ų | 149.333 | 43.4 Ų | 43.4 | 59% | 0.586 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -42.8 | -173.4 | 177.5 | -96.6 | 0 | 0 | 0 | 113.6 | N645 S646 V650 K651 | N645-Y648 WeakPolarHBondContact O-CB 3.32Å; N645-Y648 PolarHBondContact O-N 2.95Å; N645-Y648 VanDerWaalsContact O-N 3.12Å; S646-Y648 PolarHBondContact O-N 3.41Å; Y648-V650 PolarHBondContact O-N 3.44Å; Y648-K651 VanDerWaalsContact O-CB 3.26Å; Y648-K651 WeakPolarHBondContact O-CB 3.24Å; Y648-K651 PolarHBondContact O-N 2.93Å |
| 649 | E | 86.2 | Confident | 90.5 | Very high | 84.6667 Ų | 84.6667 | 38.5 Ų | 38.5 | 40% | 0.396 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -32.2 | -177.2 | -60.4 | -153.1 | 107.3 | 0 | 0 | 113 | F623 A624 L647 | F623-E649 HydrophobicContact CB-CB 4.46Å; F623-E649 PolarHBondContact N-OE2 3.38Å; A624-E649 VanDerWaalsContact CA-OE1 3.3Å; A624-E649 WeakPolarHBondContact CA-OE1 3.4Å; A624-E649 VanDerWaalsContact CA-OE2 3.31Å; A624-E649 WeakPolarHBondContact CA-OE2 3.22Å; A624-E649 WeakPolarHBondContact CB-OE1 3.21Å; A624-E649 PolarHBondContact N-OE2 3.2Å; L647-E649 VanDerWaalsContact C-N 3.29Å; L647-E649 PolarHBondContact O-N 3.25Å |
| 650 | V | 90.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -1.1 | -178.9 | -64.7 | 0 | 0 | 0 | 0 | 113.1 | F623 N626 L629 L647 Y648 N652 S653 L654 | F623-V650 HydrophobicContact CB-CG1 3.58Å; F623-V650 HydrophobicContact CB-CG2 4.32Å; F623-V650 HydrophobicContact CD1-CG1 4.18Å; F623-V650 HydrophobicContact CD2-CG1 4.44Å; F623-V650 HydrophobicContact CD2-CG2 3.99Å; F623-V650 HydrophobicContact CE2-CG2 4.45Å; F623-V650 HydrophobicContact CG-CG1 3.98Å; F623-V650 HydrophobicContact CG-CG2 4.24Å; N626-V650 HydrophobicContact CB-CG1 4.45Å; N626-V650 WeakPolarHBondContact O-CG1 3.34Å; L629-V650 HydrophobicContact CB-CB 4.3Å; L629-V650 HydrophobicContact CB-CG1 3.78Å; L629-V650 HydrophobicContact CD2-CB 4.35Å; L629-V650 HydrophobicContact CD2-CG1 3.99Å; L629-V650 HydrophobicContact CD2-CG2 4.31Å; L629-V650 HydrophobicContact CG-CG1 4.33Å; L647-V650 HydrophobicContact CB-CG2 4.19Å; L647-V650 HydrophobicContact CD2-CG2 4.23Å; L647-V650 CarbonylContact O-C 3.6Å; L647-V650 VanDerWaalsContact O-CG2 3.32Å; L647-V650 WeakPolarHBondContact O-CG2 3.33Å; L647-V650 PolarHBondContact O-N 2.89Å; Y648-V650 PolarHBondContact O-N 3.44Å; V650-N652 PolarHBondContact O-N 2.86Å; V650-N652 VanDerWaalsContact O-N 3.09Å; V650-S653 WeakPolarHBondContact CA-OG 3.45Å; V650-S653 PolarHBondContact O-N 2.82Å; V650-S653 PolarHBondContact O-OG 2.84Å; V650-S653 VanDerWaalsContact O-OG 3.05Å; V650-L654 HydrophobicContact CB-CD1 4.25Å; V650-L654 HydrophobicContact CB-CG 4.08Å; V650-L654 HydrophobicContact CG2-CD1 3.67Å; V650-L654 HydrophobicContact CG2-CG 4.05Å; V650-L654 WeakPolarHBondContact O-CB 3.37Å; V650-L654 WeakPolarHBondContact O-CG 3.5Å; V650-L654 PolarHBondContact O-N 2.8Å |
| 651 | K | 88 | Confident | 90.8 | Very high | 22.6667 Ų | 22.6667 | 40.7 Ų | 40.7 | 10% | 0.099 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -29.5 | -178.9 | -167.9 | 165.7 | -153.1 | 178.1 | 0 | 113.8 | L647 Y648 Q670 N671 R673 G674 S675 Q676 Y1419 | L647-K651 WeakPolarHBondContact O-CB 3.39Å; L647-K651 PolarHBondContact O-N 3.07Å; Y648-K651 VanDerWaalsContact O-CB 3.26Å; Y648-K651 WeakPolarHBondContact O-CB 3.24Å; Y648-K651 PolarHBondContact O-N 2.93Å; K651-Q670 PolarHBondContact NZ-O 3.22Å; K651-Q670 VanDerWaalsContact NZ-O 3.15Å; K651-N671 VanDerWaalsContact CE-O 3.3Å; K651-N671 WeakPolarHBondContact CE-O 3.31Å; K651-N671 PolarHBondContact NZ-O 3.06Å; K651-R673 WeakPolarHBondContact CE-O 3.31Å; K651-R673 PolarHBondContact NZ-O 3.23Å; K651-G674 VanDerWaalsContact CG-C 3.41Å; K651-G674 WeakPolarHBondContact CG-O 3.47Å; K651-S675 VanDerWaalsContact O-CA 3.26Å; K651-S675 WeakPolarHBondContact O-CA 3.24Å; K651-Q676 PolarHBondContact O-N 3.04Å; K651-Q676 VanDerWaalsContact O-N 3.1Å; K651-Y1419 WeakPolarHBondContact CE-OH 3.31Å; K651-Y1419 VanDerWaalsContact NZ-CZ 3.32Å; K651-Y1419 PolarHBondContact NZ-OH 3.46Å |
| 652 | N | 87.8 | Confident | 91 | Very high | 97.6667 Ų | 97.6667 | 38.1 Ų | 38.1 | 52% | 0.522 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -4.6 | 178.3 | -62.7 | -35.7 | 0 | 0 | 0 | 113.4 | V650 Q676 N677 N1415 | V650-N652 PolarHBondContact O-N 2.86Å; V650-N652 VanDerWaalsContact O-N 3.09Å; N652-Q676 HydrophobicContact CB-CG 4.19Å; N652-Q676 WeakPolarHBondContact OD1-CG 3.32Å; N652-N677 PolarHBondContact O-ND2 2.91Å; N652-N1415 PolarHBondContact OD1-ND2 2.99Å |
| 653 | S | 91.8 | Very high | 91.2 | Very high | 14 Ų | 14 | 39.3 Ų | 39.3 | 10% | 0.098 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | -28.3 | -179.5 | 63.3 | 0 | 0 | 0 | 0 | 113.8 | P627 L629 R630 V650 E655 N677 | P627-S653 VanDerWaalsContact O-CB 3.28Å; P627-S653 WeakPolarHBondContact O-CB 3.24Å; L629-S653 PolarHBondContact N-OG 3.45Å; L629-S653 CarbonylContact O-C 3.52Å; L629-S653 VanDerWaalsContact O-CB 3.28Å; L629-S653 WeakPolarHBondContact O-CB 3.42Å; L629-S653 PolarHBondContact O-OG 2.86Å; R630-S653 WeakPolarHBondContact CA-O 3.23Å; R630-S653 WeakPolarHBondContact CG-O 3.23Å; V650-S653 WeakPolarHBondContact CA-OG 3.45Å; V650-S653 PolarHBondContact O-N 2.82Å; V650-S653 PolarHBondContact O-OG 2.84Å; V650-S653 VanDerWaalsContact O-OG 3.05Å; S653-E655 PolarHBondContact O-N 3.09Å; S653-N677 PolarHBondContact O-ND2 2.95Å |
| 654 | L | 93.3 | Very high | 91.6 | Very high | 3.66667 Ų | 3.66667 | 37.8 Ų | 37.8 | 2% | 0.019 | 19% | 0.187 | C | C | . | . | trans | -68.9 | 127.8 | -174.5 | -132.9 | 102.1 | 0 | 0 | 0 | 112.2 | L629 L632 L647 V650 L657 N677 L678 | L629-L654 HydrophobicContact CD2-CD1 4.21Å; L629-L654 HydrophobicContact CD2-CD2 4.08Å; L629-L654 HydrophobicContact CG-CD1 4.09Å; L629-L654 HydrophobicContact CG-CD2 3.91Å; L629-L654 VanDerWaalsContact O-CA 3.24Å; L629-L654 WeakPolarHBondContact O-CA 3.39Å; L629-L654 PolarHBondContact O-N 2.84Å; L632-L654 HydrophobicContact CB-CD1 3.82Å; L632-L654 HydrophobicContact CB-CD2 4.2Å; L647-L654 HydrophobicContact CB-CD1 4.39Å; L647-L654 HydrophobicContact CD1-CD1 4.19Å; L647-L654 HydrophobicContact CD2-CD1 4.27Å; V650-L654 HydrophobicContact CB-CD1 4.25Å; V650-L654 HydrophobicContact CB-CG 4.08Å; V650-L654 HydrophobicContact CG2-CD1 3.67Å; V650-L654 HydrophobicContact CG2-CG 4.05Å; V650-L654 WeakPolarHBondContact O-CB 3.37Å; V650-L654 WeakPolarHBondContact O-CG 3.5Å; V650-L654 PolarHBondContact O-N 2.8Å; L654-L657 HydrophobicContact CD2-CB 4.05Å; L654-L657 HydrophobicContact CD2-CD1 4.28Å; L654-N677 CarbonylContact O-C 3.28Å; L654-N677 VanDerWaalsContact O-C 3.3Å; L654-N677 WeakPolarHBondContact O-CA 3.49Å; L654-N677 WeakPolarHBondContact O-CB 3.48Å; L654-L678 HydrophobicContact CB-CD1 4.41Å; L654-L678 HydrophobicContact CD2-CD1 4.05Å; L654-L678 HydrophobicContact CG-CD1 4.07Å; L654-L678 VanDerWaalsContact O-CA 3.22Å; L654-L678 WeakPolarHBondContact O-CA 3.41Å; L654-L678 WeakPolarHBondContact O-CB 3.23Å; L654-L678 PolarHBondContact O-N 3.13Å | ||
| 655 | E | 94.9 | Very high | 92.1 | Very high | 65.3333 Ų | 65.3333 | 38.6 Ų | 38.6 | 31% | 0.305 | 19% | 0.19 | S | C | . | . | trans | -109.7 | -28.1 | 178.4 | -68.1 | 174.3 | -174.9 | 0 | 0 | 112.8 | R630 S653 N677 A679 I680 | R630-E655 HydrophobicContact CB-CG 4.45Å; R630-E655 HydrophobicContact CG-CG 4.4Å; R630-E655 IonicContact CZ-OE1 3.32Å; R630-E655 VanDerWaalsContact CZ-OE1 3.25Å; R630-E655 IonicContact CZ-OE2 3.41Å; R630-E655 VanDerWaalsContact NE-CD 3.31Å; R630-E655 IonicContact NE-OE1 2.79Å; R630-E655 PolarHBondContact NE-OE1 3.12Å; R630-E655 IonicContact NE-OE2 2.81Å; R630-E655 PolarHBondContact NE-OE2 3.14Å; R630-E655 VanDerWaalsContact NH2-CD 3.26Å; R630-E655 IonicContact NH2-OE1 3.26Å; R630-E655 PolarHBondContact NH2-OE1 3.39Å; R630-E655 IonicContact NH2-OE2 2.91Å; R630-E655 PolarHBondContact NH2-OE2 2.84Å; R630-E655 WeakPolarHBondContact O-CA 3.37Å; R630-E655 WeakPolarHBondContact O-CB 3.48Å; R630-E655 PolarHBondContact O-N 3.25Å; S653-E655 PolarHBondContact O-N 3.09Å; E655-N677 WeakPolarHBondContact CA-O 3.31Å; E655-N677 HydrophobicContact CG-CB 4.19Å; E655-A679 WeakPolarHBondContact O-CA 3.34Å; E655-A679 PolarHBondContact O-N 2.98Å; E655-I680 PolarHBondContact O-N 2.96Å; E655-I680 VanDerWaalsContact O-N 3.11Å | ||
| 656 | M | 96.2 | Very high | 92.6 | Very high | 38.6667 Ų | 38.6667 | 38.9 Ų | 38.9 | 19% | 0.19 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 131 | 175.7 | 177.5 | -179.1 | -174.9 | 0 | 0 | 111.3 | R630 V631 L632 D658 I680 | R630-M656 PolarHBondContact O-N 3.04Å; V631-M656 WeakPolarHBondContact CA-O 3.24Å; V631-M656 HydrophobicContact CB-CB 4.49Å; V631-M656 HydrophobicContact CG1-CB 4.17Å; V631-M656 HydrophobicContact CG1-CG 4.33Å; V631-M656 HydrophobicContact CG1-SD 4.12Å; V631-M656 HydrophobicContact CG2-CB 4.23Å; L632-M656 PolarHBondContact N-O 2.79Å; M656-D658 HydrophobicContact CE-CB 4.23Å; M656-I680 WeakPolarHBondContact CA-O 3.3Å; M656-I680 HydrophobicContact CB-CB 4.28Å; M656-I680 HydrophobicContact CB-CD1 4.32Å; M656-I680 HydrophobicContact CE-CG2 4.31Å; M656-I680 HydrophobicContact CG-CB 4.07Å; M656-I680 HydrophobicContact CG-CD1 4.39Å; M656-I680 HydrophobicContact CG-CG2 4.2Å; M656-I680 HydrophobicContact SD-CD1 4.42Å |
| 657 | L | 96 | Very high | 92.9 | Very high | 1.33333 Ų | 1.33333 | 39.1 Ų | 39.1 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 125.7 | 170.1 | -177.9 | 65.6 | 0 | 0 | 0 | 110.2 | L632 L647 L654 L659 L672 L678 I680 V681 D682 | L632-L657 HydrophobicContact CB-CD1 3.95Å; L632-L657 HydrophobicContact CD2-CD1 3.79Å; L632-L657 HydrophobicContact CG-CD1 3.91Å; L632-L657 CarbonylContact O-C 3.23Å; L632-L657 VanDerWaalsContact O-CA 3.3Å; L632-L657 WeakPolarHBondContact O-CA 3.28Å; L647-L657 HydrophobicContact CD1-CD1 4.33Å; L647-L657 HydrophobicContact CD1-CD2 3.94Å; L654-L657 HydrophobicContact CD2-CB 4.05Å; L654-L657 HydrophobicContact CD2-CD1 4.28Å; L657-L659 HydrophobicContact CD1-CD1 4.22Å; L657-L659 HydrophobicContact CD1-CD2 4.18Å; L657-L659 HydrophobicContact CD1-CG 4.14Å; L657-L659 HydrophobicContact CD2-CD1 3.89Å; L657-L659 HydrophobicContact CD2-CG 4.21Å; L657-L659 HydrophobicContact CG-CD1 4.2Å; L657-L659 HydrophobicContact CG-CD2 4.33Å; L657-L659 HydrophobicContact CG-CG 4.09Å; L657-L672 HydrophobicContact CD2-CD2 3.4Å; L657-L672 VanDerWaalsContact CD2-CD2 3.46Å; L657-L678 HydrophobicContact CB-CD1 3.99Å; L657-L678 HydrophobicContact CB-CD2 4.44Å; L657-I680 PolarHBondContact N-O 2.86Å; L657-V681 WeakPolarHBondContact O-CA 3.18Å; L657-D682 PolarHBondContact O-N 3.33Å |
| 658 | D | 96.4 | Very high | 93.1 | Very high | 13 Ų | 13 | 39.4 Ų | 39.4 | 7% | 0.07 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 105.2 | 174.3 | 173 | 15.8 | 0 | 0 | 0 | 109.4 | L632 K633 A634 R635 M656 S660 D682 | L632-D658 PolarHBondContact O-N 3.17Å; K633-D658 HydrophobicContact CB-CB 4.22Å; K633-D658 HydrophobicContact CG-CB 4.25Å; A634-D658 CarbonylContact C-O 3.29Å; A634-D658 WeakPolarHBondContact CA-O 3.43Å; A634-D658 PolarHBondContact N-O 2.8Å; R635-D658 WeakPolarHBondContact CB-OD2 3.48Å; R635-D658 PolarHBondContact N-O 2.97Å; M656-D658 HydrophobicContact CE-CB 4.23Å; D658-S660 VanDerWaalsContact OD1-CB 3.31Å; D658-S660 WeakPolarHBondContact OD1-CB 3.22Å; D658-S660 PolarHBondContact OD1-N 2.89Å; D658-S660 VanDerWaalsContact OD1-N 3.09Å; D658-S660 PolarHBondContact OD1-OG 3.09Å; D658-D682 HydrophobicContact CB-CB 4.38Å |
| 659 | L | 96.3 | Very high | 93.1 | Very high | 0.333333 Ų | 0.333333 | 32.7 Ų | 32.7 | 0% | 0.002 | 17% | 0.168 | C | C | . | . | trans | -113 | 22.5 | 173 | -65.2 | 169.7 | 0 | 0 | 0 | 110.7 | I618 A634 I639 L642 L657 N662 L664 P668 D682 L683 N686 | I618-L659 HydrophobicContact CD1-CD2 4.37Å; A634-L659 HydrophobicContact CB-CD2 3.97Å; I639-L659 HydrophobicContact CD1-CD2 4.07Å; L642-L659 HydrophobicContact CD1-CD1 4.09Å; L657-L659 HydrophobicContact CD1-CD1 4.22Å; L657-L659 HydrophobicContact CD1-CD2 4.18Å; L657-L659 HydrophobicContact CD1-CG 4.14Å; L657-L659 HydrophobicContact CD2-CD1 3.89Å; L657-L659 HydrophobicContact CD2-CG 4.21Å; L657-L659 HydrophobicContact CG-CD1 4.2Å; L657-L659 HydrophobicContact CG-CD2 4.33Å; L657-L659 HydrophobicContact CG-CG 4.09Å; L659-N662 VanDerWaalsContact C-ND2 3.27Å; L659-N662 PolarHBondContact O-ND2 2.87Å; L659-L664 HydrophobicContact CB-CD1 4.1Å; L659-L664 HydrophobicContact CD1-CD1 4.26Å; L659-P668 HydrophobicContact CD1-CG 4.09Å; L659-D682 CarbonylContact C-O 3.49Å; L659-D682 PolarHBondContact N-O 2.93Å; L659-L683 HydrophobicContact CB-CD2 3.89Å; L659-L683 HydrophobicContact CD1-CD2 4.14Å; L659-L683 HydrophobicContact CG-CD2 4.29Å; L659-N686 PolarHBondContact O-ND2 3.16Å | ||
| 660 | S | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -65.8 | 157.3 | -175.9 | 60.5 | 0 | 0 | 0 | 0 | 112.8 | R635 S636 D658 N662 D682 S684 | R635-S660 CarbonylContact C-O 3.22Å; R635-S660 WeakPolarHBondContact CA-O 3.27Å; R635-S660 WeakPolarHBondContact CB-O 3.47Å; R635-S660 WeakPolarHBondContact CB-OG 2.97Å; R635-S660 WeakPolarHBondContact CD-OG 3.2Å; R635-S660 VanDerWaalsContact CG-O 3.29Å; R635-S660 WeakPolarHBondContact CG-O 3.15Å; R635-S660 VanDerWaalsContact CG-OG 3.23Å; R635-S660 WeakPolarHBondContact CG-OG 3.4Å; R635-S660 VanDerWaalsContact CZ-OG 3.28Å; R635-S660 PolarHBondContact NE-OG 3.39Å; R635-S660 PolarHBondContact NH1-OG 3.3Å; S636-S660 PolarHBondContact N-O 3.2Å; D658-S660 VanDerWaalsContact OD1-CB 3.31Å; D658-S660 WeakPolarHBondContact OD1-CB 3.22Å; D658-S660 PolarHBondContact OD1-N 2.89Å; D658-S660 VanDerWaalsContact OD1-N 3.09Å; D658-S660 PolarHBondContact OD1-OG 3.09Å; S660-N662 VanDerWaalsContact C-N 3.33Å; S660-N662 PolarHBondContact O-N 2.93Å; S660-N662 PolarHBondContact O-ND2 3.15Å; S660-D682 WeakPolarHBondContact CB-OD1 3.38Å; S660-D682 PolarHBondContact N-O 2.86Å; S660-S684 CarbonylContact C-O 3.29Å; S660-S684 VanDerWaalsContact C-O 3.32Å; S660-S684 WeakPolarHBondContact CA-O 3.43Å; S660-S684 WeakPolarHBondContact CB-O 3.42Å; S660-S684 VanDerWaalsContact CB-OG 3.29Å; S660-S684 WeakPolarHBondContact CB-OG 3.22Å | ||
| 661 | K | 95.8 | Very high | 93.3 | Very high | 111.333 Ų | 111.333 | 32.8 Ų | 32.8 | 48% | 0.484 | 17% | 0.169 | S | C | . | . | S | Bend | trans | 54.4 | 49.2 | -179.2 | -161.7 | 174.3 | 165.8 | -173.8 | 0 | 112.9 | R635 S636 S684 E685 | R635-K661 HydrophobicContact CG-CB 4.2Å; S636-K661 WeakPolarHBondContact CA-O 3.32Å; S636-K661 PolarHBondContact N-O 3.01Å; S636-K661 VanDerWaalsContact N-O 3.13Å; S636-K661 VanDerWaalsContact OG-CD 3.32Å; S636-K661 WeakPolarHBondContact OG-CD 3.45Å; K661-S684 PolarHBondContact N-O 3Å; K661-E685 VanDerWaalsContact CA-O 3.25Å; K661-E685 WeakPolarHBondContact CA-O 3.42Å; K661-E685 HydrophobicContact CB-CB 3.84Å; K661-E685 WeakPolarHBondContact CD-OE2 3.48Å; K661-E685 HydrophobicContact CG-CB 4.24Å; K661-E685 PolarHBondContact N-O 2.99Å |
| 662 | N | 95.5 | Very high | 93.5 | Very high | 17.3333 Ų | 17.3333 | 31.7 Ų | 31.7 | 9% | 0.093 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -117.2 | -157.9 | 172.9 | -84.4 | -75.5 | 0 | 0 | 0 | 109.1 | A634 N637 H638 I639 L659 S660 L664 E685 N686 | A634-N662 PolarHBondContact O-ND2 3.21Å; N637-N662 VanDerWaalsContact CA-OD1 3.24Å; N637-N662 WeakPolarHBondContact CA-OD1 3.22Å; N637-N662 WeakPolarHBondContact CB-OD1 3.43Å; N637-N662 PolarHBondContact N-OD1 2.94Å; N637-N662 VanDerWaalsContact N-OD1 3.13Å; N637-N662 PolarHBondContact O-OD1 3.12Å; H638-N662 PolarHBondContact N-OD1 3.22Å; I639-N662 HydrophobicContact CB-CB 4.34Å; I639-N662 WeakPolarHBondContact CB-OD1 3.29Å; I639-N662 PolarHBondContact N-OD1 3.22Å; I639-N662 VanDerWaalsContact N-OD1 3.1Å; I639-N662 WeakPolarHBondContact O-CB 3.42Å; L659-N662 VanDerWaalsContact C-ND2 3.27Å; L659-N662 PolarHBondContact O-ND2 2.87Å; S660-N662 VanDerWaalsContact C-N 3.33Å; S660-N662 PolarHBondContact O-N 2.93Å; S660-N662 PolarHBondContact O-ND2 3.15Å; N662-L664 HydrophobicContact CB-CG 4.46Å; N662-E685 PolarHBondContact N-O 3.37Å; N662-N686 VanDerWaalsContact CA-OD1 3.23Å; N662-N686 WeakPolarHBondContact CA-OD1 3.32Å; N662-N686 WeakPolarHBondContact CB-OD1 3.43Å; N662-N686 PolarHBondContact N-OD1 3.12Å; N662-N686 VanDerWaalsContact N-OD1 3.12Å; N662-N686 PolarHBondContact O-OD1 3.34Å |
| 663 | C | 95.1 | Very high | 93.6 | Very high | 38.3333 Ų | 38.3333 | 30.5 Ų | 30.5 | 26% | 0.259 | 15% | 0.152 | S | C | . | . | trans | -121.2 | 26.9 | 178.8 | 44.3 | 0 | 0 | 0 | 0 | 112.4 | H638 I639 C640 T665 N686 | H638-C663 PolarHBondContact O-SG 2.99Å; H638-C663 VanDerWaalsContact O-SG 3.37Å; I639-C663 CarbonylContact O-C 3.3Å; I639-C663 PolarHBondContact O-N 2.95Å; C640-C663 WeakPolarHBondContact CA-O 3.33Å; C640-C663 WeakPolarHBondContact CA-SG 3.45Å; C640-C663 HydrophobicContact CB-CB 3.93Å; C640-C663 WeakPolarHBondContact CB-O 3.32Å; C640-C663 WeakPolarHBondContact CB-SG 3.38Å; C640-C663 PolarHBondContact N-SG 2.75Å; C640-C663 WeakPolarHBondContact SG-CB 3.28Å; C640-C663 CovalentContact SG-SG 2.04Å; C640-C663 PolarHBondContact SG-SG 2.72Å; C663-T665 PolarHBondContact O-N 3.02Å; C663-N686 PolarHBondContact N-OD1 3.1Å | ||
| 664 | L | 95 | Very high | 93.4 | Very high | 2.33333 Ų | 2.33333 | 30.5 Ų | 30.5 | 1% | 0.012 | 15% | 0.154 | C | C | . | . | trans | -62.8 | 114.1 | 177.3 | -64.5 | 170.2 | 0 | 0 | 0 | 109.7 | I639 L659 N662 Q666 P668 L683 N686 A687 I688 | I639-L664 HydrophobicContact CG2-CD2 4.2Å; I639-L664 WeakPolarHBondContact O-CD2 3.17Å; I639-L664 WeakPolarHBondContact O-CG 3.15Å; I639-L664 PolarHBondContact O-N 3.43Å; L659-L664 HydrophobicContact CB-CD1 4.1Å; L659-L664 HydrophobicContact CD1-CD1 4.26Å; N662-L664 HydrophobicContact CB-CG 4.46Å; L664-Q666 WeakPolarHBondContact CB-O 3.43Å; L664-Q666 PolarHBondContact O-N 3.15Å; L664-P668 HydrophobicContact CD1-CG 4.3Å; L664-P668 HydrophobicContact CD2-CG 4.38Å; L664-L683 HydrophobicContact CD1-CD2 3.86Å; L664-N686 HydrophobicContact CB-CB 4.15Å; L664-N686 VanDerWaalsContact CB-OD1 3.29Å; L664-N686 WeakPolarHBondContact CB-OD1 3.41Å; L664-N686 WeakPolarHBondContact CG-OD1 3.43Å; L664-N686 PolarHBondContact N-OD1 3.12Å; L664-N686 VanDerWaalsContact N-OD1 3.14Å; L664-N686 WeakPolarHBondContact O-CB 3.06Å; L664-A687 CarbonylContact O-C 3.27Å; L664-A687 VanDerWaalsContact O-C 3.28Å; L664-A687 WeakPolarHBondContact O-CA 3.44Å; L664-A687 PolarHBondContact O-N 3.28Å; L664-I688 HydrophobicContact CB-CG1 4.26Å; L664-I688 VanDerWaalsContact O-CG1 3.31Å; L664-I688 WeakPolarHBondContact O-CG1 3.38Å; L664-I688 PolarHBondContact O-N 3.18Å; L664-I688 VanDerWaalsContact O-N 3.08Å | ||
| 665 | T | 92 | Very high | 93.3 | Very high | 61.6667 Ų | 61.6667 | 30.5 Ų | 30.5 | 38% | 0.378 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -81.3 | -17.7 | 171.3 | 55.5 | 0 | 0 | 0 | 0 | 112.2 | C663 A687 I688 E689 N1431 | C663-T665 PolarHBondContact O-N 3.02Å; T665-A687 WeakPolarHBondContact CA-O 3.3Å; T665-A687 HydrophobicContact CG2-CB 4.27Å; T665-I688 VanDerWaalsContact O-CA 3.26Å; T665-I688 WeakPolarHBondContact O-CA 3.34Å; T665-E689 PolarHBondContact O-N 3.22Å; T665-E689 VanDerWaalsContact O-N 3.12Å; T665-N1431 WeakPolarHBondContact CB-OD1 3.46Å; T665-N1431 VanDerWaalsContact O-CG 3.25Å; T665-N1431 PolarHBondContact O-ND2 3.08Å; T665-N1431 PolarHBondContact O-OD1 2.82Å; T665-N1431 PolarHBondContact OG1-OD1 2.8Å |
| 666 | Q | 92.7 | Very high | 93 | Very high | 89.3333 Ų | 89.3333 | 30.9 Ų | 30.9 | 42% | 0.417 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -136.8 | 152.5 | -178.6 | -63.6 | -174.2 | 11.8 | 0 | 0 | 109.8 | L664 P668 C1430 N1431 C1432 | L664-Q666 WeakPolarHBondContact CB-O 3.43Å; L664-Q666 PolarHBondContact O-N 3.15Å; Q666-P668 WeakPolarHBondContact O-CD 3.28Å; Q666-C1430 PolarHBondContact NE2-O 2.8Å; Q666-N1431 WeakPolarHBondContact CG-OD1 3.48Å; Q666-C1432 WeakPolarHBondContact CB-O 3.42Å; Q666-C1432 HydrophobicContact CG-CB 4.31Å; Q666-C1432 VanDerWaalsContact CG-N 3.34Å; Q666-C1432 VanDerWaalsContact CG-O 3.27Å; Q666-C1432 WeakPolarHBondContact CG-O 3.22Å; Q666-C1432 VanDerWaalsContact NE2-N 3.15Å |
| 667 | V | 93.7 | Very high | 92.9 | Very high | 5 Ų | 5 | 31.8 Ų | 31.8 | 3% | 0.03 | 16% | 0.162 | C | C | . | . | trans | -65.9 | 132.8 | 168.2 | 175.6 | 0 | 0 | 0 | 0 | 108.8 | A669 L672 L683 I688 L691 Q695 F696 L707 E1433 S1434 | V667-A669 PolarHBondContact O-N 2.97Å; V667-L672 HydrophobicContact CG1-CD1 3.81Å; V667-L683 HydrophobicContact CB-CD1 4.1Å; V667-L683 HydrophobicContact CG1-CD1 4.01Å; V667-L683 VanDerWaalsContact CG1-CD1 3.47Å; V667-L683 HydrophobicContact CG2-CD1 4.11Å; V667-I688 HydrophobicContact CG2-CD1 3.98Å; V667-I688 HydrophobicContact CG2-CG1 4.35Å; V667-I688 HydrophobicContact CG2-CG2 4.28Å; V667-L691 HydrophobicContact CG2-CD2 3.56Å; V667-L691 VanDerWaalsContact CG2-CD2 3.5Å; V667-Q695 HydrophobicContact CB-CB 4.29Å; V667-Q695 HydrophobicContact CB-CG 4.36Å; V667-Q695 HydrophobicContact CG1-CB 4.28Å; V667-Q695 PolarHBondContact O-OE1 3.02Å; V667-F696 HydrophobicContact CB-CZ 4.39Å; V667-F696 HydrophobicContact CG1-CD1 4.11Å; V667-F696 HydrophobicContact CG1-CE1 3.71Å; V667-F696 VanDerWaalsContact CG1-CE1 3.5Å; V667-F696 HydrophobicContact CG1-CE2 4.3Å; V667-F696 HydrophobicContact CG1-CZ 3.68Å; V667-F696 HydrophobicContact CG2-CE2 4.11Å; V667-F696 HydrophobicContact CG2-CZ 3.89Å; V667-L707 HydrophobicContact CG2-CD2 3.82Å; V667-E1433 HydrophobicContact CG2-CB 4.45Å; V667-S1434 VanDerWaalsContact CB-CB 3.43Å; V667-S1434 WeakPolarHBondContact CB-OG 3.48Å; V667-S1434 WeakPolarHBondContact CG1-OG 3.48Å | ||
| 668 | P | 92.7 | Very high | 92.8 | Very high | 12 Ų | 12 | 31.8 Ų | 31.8 | 8% | 0.078 | 16% | 0.162 | C | C | . | . | trans | -75.5 | 64.4 | 177.9 | 30.8 | -35.5 | 0 | 0 | 0 | 111.6 | L642 L659 L664 Q666 Q670 N671 L672 | L642-P668 HydrophobicContact CB-CB 4.2Å; L642-P668 HydrophobicContact CD1-CB 3.79Å; L642-P668 HydrophobicContact CD1-CG 3.97Å; L642-P668 HydrophobicContact CG-CB 4.08Å; L642-P668 HydrophobicContact CG-CG 4.39Å; L659-P668 HydrophobicContact CD1-CG 4.09Å; L664-P668 HydrophobicContact CD1-CG 4.3Å; L664-P668 HydrophobicContact CD2-CG 4.38Å; Q666-P668 WeakPolarHBondContact O-CD 3.28Å; P668-Q670 VanDerWaalsContact C-N 3.31Å; P668-Q670 PolarHBondContact O-N 2.94Å; P668-N671 HydrophobicContact CB-CB 4.38Å; P668-N671 WeakPolarHBondContact O-CB 3.26Å; P668-N671 PolarHBondContact O-N 3.04Å; P668-N671 PolarHBondContact O-OD1 3Å; P668-L672 HydrophobicContact CG-CD1 4.28Å; P668-L672 HydrophobicContact CG-CG 4.29Å; P668-L672 WeakPolarHBondContact O-CG 3.37Å; P668-L672 PolarHBondContact O-N 3.17Å; P668-L672 VanDerWaalsContact O-N 3.09Å | ||
| 669 | A | 90.5 | Very high | 92.7 | Very high | 8.33333 Ų | 8.33333 | 32.2 Ų | 32.2 | 7% | 0.069 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -50.8 | -41.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | V667 N671 L672 R673 Q695 Y1419 C1420 | V667-A669 PolarHBondContact O-N 2.97Å; A669-N671 VanDerWaalsContact C-N 3.34Å; A669-N671 PolarHBondContact O-N 3.03Å; A669-L672 PolarHBondContact O-N 3.16Å; A669-R673 HydrophobicContact CB-CG 4.38Å; A669-R673 VanDerWaalsContact O-CB 3.31Å; A669-R673 WeakPolarHBondContact O-CB 3.38Å; A669-R673 WeakPolarHBondContact O-CD 3.27Å; A669-R673 WeakPolarHBondContact O-CG 3.38Å; A669-R673 PolarHBondContact O-N 3Å; A669-Q695 HydrophobicContact CB-CB 4.42Å; A669-Q695 VanDerWaalsContact CB-O 3.27Å; A669-Q695 WeakPolarHBondContact CB-O 3.2Å; A669-Y1419 WeakPolarHBondContact O-CD1 3.48Å; A669-Y1419 WeakPolarHBondContact O-CE1 3.05Å; A669-C1420 HydrophobicContact CB-CB 3.74Å; A669-C1420 WeakPolarHBondContact CB-SG 3.3Å |
| 670 | Q | 88.5 | Confident | 92.6 | Very high | 81 Ų | 81 | 34.1 Ų | 34.1 | 38% | 0.379 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -60.8 | -25.9 | -178.7 | -142.7 | 163 | -11.4 | 0 | 0 | 113.2 | S644 K651 P668 Y1419 C1420 E1422 | S644-Q670 VanDerWaalsContact CB-NE2 3.35Å; S644-Q670 WeakPolarHBondContact O-CG 3.36Å; S644-Q670 PolarHBondContact O-NE2 2.72Å; S644-Q670 PolarHBondContact OG-NE2 3.1Å; S644-Q670 PolarHBondContact OG-OE1 3.26Å; K651-Q670 PolarHBondContact NZ-O 3.22Å; K651-Q670 VanDerWaalsContact NZ-O 3.15Å; P668-Q670 VanDerWaalsContact C-N 3.31Å; P668-Q670 PolarHBondContact O-N 2.94Å; Q670-Y1419 VanDerWaalsContact CA-CE1 3.47Å; Q670-Y1419 HydrophobicContact CB-CD1 4.25Å; Q670-Y1419 HydrophobicContact CB-CD2 4.4Å; Q670-Y1419 HydrophobicContact CB-CG 4.04Å; Q670-Y1419 HydrophobicContact CG-CD1 4.29Å; Q670-Y1419 HydrophobicContact CG-CD2 3.58Å; Q670-Y1419 HydrophobicContact CG-CE2 3.9Å; Q670-Y1419 HydrophobicContact CG-CG 3.72Å; Q670-Y1419 VanDerWaalsContact O-CE1 3.27Å; Q670-Y1419 WeakPolarHBondContact O-CE1 3.4Å; Q670-Y1419 WeakPolarHBondContact O-CE2 3.38Å; Q670-Y1419 PolarHBondContact O-OH 3.23Å; Q670-C1420 PolarHBondContact OE1-O 3.03Å; Q670-E1422 WeakPolarHBondContact CB-OE1 3.26Å |
| 671 | N | 91.3 | Very high | 92.6 | Very high | 5.66667 Ų | 5.66667 | 34.1 Ų | 34.1 | 3% | 0.03 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -92.2 | -41.8 | -179 | -44.7 | 83 | 0 | 0 | 0 | 110.4 | L642 S643 S646 L647 K651 P668 A669 | L642-N671 WeakPolarHBondContact CB-OD1 3.14Å; L642-N671 HydrophobicContact CD1-CB 4.22Å; L642-N671 WeakPolarHBondContact CD1-OD1 3.36Å; S643-N671 PolarHBondContact O-ND2 3.13Å; S646-N671 PolarHBondContact N-ND2 2.87Å; S646-N671 PolarHBondContact O-ND2 3.11Å; S646-N671 PolarHBondContact OG-ND2 3.07Å; L647-N671 HydrophobicContact CB-CB 4.17Å; L647-N671 HydrophobicContact CD1-CB 3.89Å; L647-N671 HydrophobicContact CG-CB 4Å; K651-N671 VanDerWaalsContact CE-O 3.3Å; K651-N671 WeakPolarHBondContact CE-O 3.31Å; K651-N671 PolarHBondContact NZ-O 3.06Å; P668-N671 HydrophobicContact CB-CB 4.38Å; P668-N671 WeakPolarHBondContact O-CB 3.26Å; P668-N671 PolarHBondContact O-N 3.04Å; P668-N671 PolarHBondContact O-OD1 3Å; A669-N671 VanDerWaalsContact C-N 3.34Å; A669-N671 PolarHBondContact O-N 3.03Å |
| 672 | L | 92.5 | Very high | 92.7 | Very high | 0.333333 Ų | 0.333333 | 29.4 Ų | 29.4 | 0% | 0.002 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -77.4 | -38.4 | -178.1 | -53.9 | -177.2 | 0 | 0 | 0 | 113.8 | L647 L657 V667 P668 A669 G674 S675 L678 V681 L683 F696 M699 | L647-L672 HydrophobicContact CD1-CD2 4.48Å; L657-L672 HydrophobicContact CD2-CD2 3.4Å; L657-L672 VanDerWaalsContact CD2-CD2 3.46Å; V667-L672 HydrophobicContact CG1-CD1 3.81Å; P668-L672 HydrophobicContact CG-CD1 4.28Å; P668-L672 HydrophobicContact CG-CG 4.29Å; P668-L672 WeakPolarHBondContact O-CG 3.37Å; P668-L672 PolarHBondContact O-N 3.17Å; P668-L672 VanDerWaalsContact O-N 3.09Å; A669-L672 PolarHBondContact O-N 3.16Å; L672-G674 PolarHBondContact O-N 2.98Å; L672-G674 VanDerWaalsContact O-N 3.16Å; L672-S675 WeakPolarHBondContact O-CB 3.34Å; L672-S675 PolarHBondContact O-N 2.98Å; L672-S675 VanDerWaalsContact O-N 3.13Å; L672-S675 PolarHBondContact O-OG 3.03Å; L672-L678 HydrophobicContact CD2-CD2 4.11Å; L672-V681 HydrophobicContact CD1-CG1 4.26Å; L672-L683 HydrophobicContact CD1-CD1 4.09Å; L672-F696 HydrophobicContact CB-CD1 4.27Å; L672-F696 HydrophobicContact CD1-CD1 3.82Å; L672-F696 VanDerWaalsContact CD1-CD1 3.48Å; L672-F696 HydrophobicContact CD1-CE1 3.83Å; L672-M699 HydrophobicContact CB-CE 4.41Å; L672-M699 HydrophobicContact CB-SD 4.13Å |
| 673 | R | 90.4 | Very high | 92.7 | Very high | 71 Ų | 71 | 28.6 Ų | 28.6 | 27% | 0.268 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 108.9 | -175.7 | -94.2 | -179.8 | -160.8 | 176.6 | 3 | 111.9 | K651 A669 L694 Q695 M697 F1417 A1418 Y1419 A1436 H1437 T1439 | K651-R673 WeakPolarHBondContact CE-O 3.31Å; K651-R673 PolarHBondContact NZ-O 3.23Å; A669-R673 HydrophobicContact CB-CG 4.38Å; A669-R673 VanDerWaalsContact O-CB 3.31Å; A669-R673 WeakPolarHBondContact O-CB 3.38Å; A669-R673 WeakPolarHBondContact O-CD 3.27Å; A669-R673 WeakPolarHBondContact O-CG 3.38Å; A669-R673 PolarHBondContact O-N 3Å; R673-L694 PolarHBondContact NE-O 2.96Å; R673-L694 PolarHBondContact NH2-O 2.71Å; R673-Q695 VanDerWaalsContact CD-C 3.46Å; R673-Q695 WeakPolarHBondContact CD-O 3.49Å; R673-Q695 WeakPolarHBondContact CG-O 3.37Å; R673-Q695 PolarHBondContact NE-O 3.47Å; R673-Q695 VanDerWaalsContact NH2-CG 3.27Å; R673-M697 CarbonylContact C-O 3.56Å; R673-M697 VanDerWaalsContact CA-O 3.27Å; R673-M697 WeakPolarHBondContact CA-O 3.33Å; R673-M697 HydrophobicContact CB-CB 4.13Å; R673-M697 HydrophobicContact CG-CB 3.89Å; R673-M697 HydrophobicContact CG-CG 4.45Å; R673-M697 HydrophobicContact CG-SD 4.49Å; R673-M697 VanDerWaalsContact CZ-SD 3.51Å; R673-M697 PolarHBondContact NE-SD 3.01Å; R673-M697 PolarHBondContact NH2-SD 2.75Å; R673-F1417 HydrophobicContact CB-CB 3.72Å; R673-F1417 HydrophobicContact CB-CD1 3.53Å; R673-F1417 HydrophobicContact CB-CE1 4.31Å; R673-F1417 HydrophobicContact CB-CG 4.09Å; R673-F1417 HydrophobicContact CG-CD1 4.34Å; R673-F1417 VanDerWaalsContact O-CB 3.28Å; R673-F1417 WeakPolarHBondContact O-CB 3.42Å; R673-A1418 WeakPolarHBondContact CB-O 3.48Å; R673-A1418 WeakPolarHBondContact CD-O 3.25Å; R673-A1418 WeakPolarHBondContact CG-O 3.02Å; R673-A1418 PolarHBondContact NE-O 3.43Å; R673-A1418 PolarHBondContact NH1-O 3Å; R673-Y1419 HydrophobicContact CB-CD1 3.62Å; R673-Y1419 HydrophobicContact CB-CE1 3.62Å; R673-Y1419 HydrophobicContact CG-CD1 4.29Å; R673-Y1419 VanDerWaalsContact CZ-CA 3.41Å; R673-Y1419 VanDerWaalsContact NH2-CA 3.33Å; R673-Y1419 PolarHBondContact NH2-O 2.82Å; R673-Y1419 WeakPolarHBondContact O-CE1 3.44Å; R673-A1436 HydrophobicContact CB-CB 4.03Å; R673-A1436 HydrophobicContact CG-CB 3.47Å; R673-A1436 VanDerWaalsContact CG-CB 3.47Å; R673-H1437 PolarHBondContact NH1-O 3.08Å; R673-T1439 PolarHBondContact NH1-OG1 2.76Å; R673-T1439 PolarHBondContact NH2-OG1 3.39Å |
| 674 | G | 86.9 | Confident | 92.8 | Very high | 14 Ų | 14 | 27.5 Ų | 27.5 | 14% | 0.144 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 113.6 | -0.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | K651 L672 Q676 M697 N698 N1415 F1417 | K651-G674 VanDerWaalsContact CG-C 3.41Å; K651-G674 WeakPolarHBondContact CG-O 3.47Å; L672-G674 PolarHBondContact O-N 2.98Å; L672-G674 VanDerWaalsContact O-N 3.16Å; G674-Q676 PolarHBondContact O-N 3.06Å; G674-Q676 VanDerWaalsContact O-N 3.17Å; G674-Q676 PolarHBondContact O-NE2 3.15Å; G674-M697 PolarHBondContact N-O 3.01Å; G674-N698 CarbonylContact C-O 3.52Å; G674-N698 VanDerWaalsContact C-O 3.25Å; G674-N698 WeakPolarHBondContact CA-O 3.33Å; G674-N698 PolarHBondContact N-O 2.86Å; G674-N1415 VanDerWaalsContact CA-OD1 3.23Å; G674-N1415 WeakPolarHBondContact CA-OD1 3.09Å; G674-N1415 WeakPolarHBondContact O-CB 3.32Å; G674-N1415 PolarHBondContact O-ND2 3.29Å; G674-N1415 PolarHBondContact O-OD1 3.46Å; G674-F1417 VanDerWaalsContact C-CE2 3.4Å; G674-F1417 VanDerWaalsContact CA-CG 3.47Å; G674-F1417 VanDerWaalsContact N-CD2 3.27Å |
| 675 | S | 91.4 | Very high | 92.8 | Very high | 4.33333 Ų | 4.33333 | 29.9 Ų | 29.9 | 3% | 0.03 | 16% | 0.157 | C | C | . | . | trans | -71.1 | 106.6 | -174.4 | -54.1 | 0 | 0 | 0 | 0 | 111.1 | K651 L672 | K651-S675 VanDerWaalsContact O-CA 3.26Å; K651-S675 WeakPolarHBondContact O-CA 3.24Å; L672-S675 WeakPolarHBondContact O-CB 3.34Å; L672-S675 PolarHBondContact O-N 2.98Å; L672-S675 VanDerWaalsContact O-N 3.13Å; L672-S675 PolarHBondContact O-OG 3.03Å | ||
| 676 | Q | 88.5 | Confident | 93 | Very high | 73 Ų | 73 | 27.6 Ų | 27.6 | 34% | 0.341 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -64.9 | -45.7 | -172.5 | -63.5 | -84.1 | -28 | 0 | 0 | 112.4 | K651 N652 G674 P700 E701 M1411 R1414 N1415 | K651-Q676 PolarHBondContact O-N 3.04Å; K651-Q676 VanDerWaalsContact O-N 3.1Å; N652-Q676 HydrophobicContact CB-CG 4.19Å; N652-Q676 WeakPolarHBondContact OD1-CG 3.32Å; G674-Q676 PolarHBondContact O-N 3.06Å; G674-Q676 VanDerWaalsContact O-N 3.17Å; G674-Q676 PolarHBondContact O-NE2 3.15Å; Q676-P700 WeakPolarHBondContact O-CG 3.46Å; Q676-E701 WeakPolarHBondContact O-CG 3.28Å; Q676-M1411 PolarHBondContact OE1-O 3.4Å; Q676-R1414 WeakPolarHBondContact CA-O 3.23Å; Q676-R1414 HydrophobicContact CB-CB 3.67Å; Q676-R1414 HydrophobicContact CB-CG 4.12Å; Q676-R1414 HydrophobicContact CG-CB 3.62Å; Q676-R1414 WeakPolarHBondContact CG-O 3.44Å; Q676-R1414 PolarHBondContact O-NE 3.31Å; Q676-R1414 PolarHBondContact O-NH2 3Å; Q676-R1414 VanDerWaalsContact OE1-CB 3.29Å; Q676-N1415 HydrophobicContact CG-CB 4.11Å |
| 677 | N | 92.9 | Very high | 93.1 | Very high | 58.3333 Ų | 58.3333 | 24.9 Ų | 24.9 | 31% | 0.312 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -99.2 | -4 | -169.5 | -73.3 | -29.2 | 0 | 0 | 0 | 114.2 | N652 S653 L654 E655 A679 R1414 | N652-N677 PolarHBondContact O-ND2 2.91Å; S653-N677 PolarHBondContact O-ND2 2.95Å; L654-N677 CarbonylContact O-C 3.28Å; L654-N677 VanDerWaalsContact O-C 3.3Å; L654-N677 WeakPolarHBondContact O-CA 3.49Å; L654-N677 WeakPolarHBondContact O-CB 3.48Å; E655-N677 WeakPolarHBondContact CA-O 3.31Å; E655-N677 HydrophobicContact CG-CB 4.19Å; N677-A679 PolarHBondContact O-N 3.03Å; N677-R1414 PolarHBondContact OD1-NH1 2.81Å; N677-R1414 PolarHBondContact OD1-NH2 3.42Å; N677-R1414 VanDerWaalsContact OD1-NH2 3.12Å |
| 678 | L | 94.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | trans | -75.2 | 99.2 | -165 | -172.3 | 57.1 | 0 | 0 | 0 | 111.6 | L654 L657 L672 I680 V681 M699 L702 | L654-L678 HydrophobicContact CB-CD1 4.41Å; L654-L678 HydrophobicContact CD2-CD1 4.05Å; L654-L678 HydrophobicContact CG-CD1 4.07Å; L654-L678 VanDerWaalsContact O-CA 3.22Å; L654-L678 WeakPolarHBondContact O-CA 3.41Å; L654-L678 WeakPolarHBondContact O-CB 3.23Å; L654-L678 PolarHBondContact O-N 3.13Å; L657-L678 HydrophobicContact CB-CD1 3.99Å; L657-L678 HydrophobicContact CB-CD2 4.44Å; L672-L678 HydrophobicContact CD2-CD2 4.11Å; L678-I680 WeakPolarHBondContact CD1-O 3.13Å; L678-V681 HydrophobicContact CD1-CG2 4.24Å; L678-V681 HydrophobicContact CD2-CG2 3.68Å; L678-V681 HydrophobicContact CG-CG2 3.69Å; L678-M699 HydrophobicContact CB-CE 4.09Å; L678-M699 HydrophobicContact CD2-CE 3.8Å; L678-M699 HydrophobicContact CG-CE 4.01Å; L678-L702 VanDerWaalsContact O-CA 3.26Å; L678-L702 WeakPolarHBondContact O-CA 3.29Å; L678-L702 WeakPolarHBondContact O-CB 3.1Å; L678-L702 WeakPolarHBondContact O-CD1 2.86Å; L678-L702 PolarHBondContact O-N 2.99Å | ||
| 679 | A | 93.9 | Very high | 93.1 | Very high | 21.3333 Ų | 21.3333 | 29.3 Ų | 29.3 | 18% | 0.176 | 15% | 0.154 | C | C | . | . | trans | -92.2 | -28.3 | -172 | 0 | 0 | 0 | 0 | 0 | 114.1 | E655 N677 E701 R703 D704 | E655-A679 WeakPolarHBondContact O-CA 3.34Å; E655-A679 PolarHBondContact O-N 2.98Å; N677-A679 PolarHBondContact O-N 3.03Å; A679-E701 VanDerWaalsContact CA-O 3.28Å; A679-E701 WeakPolarHBondContact CA-O 3.37Å; A679-E701 WeakPolarHBondContact CB-O 3.5Å; A679-R703 PolarHBondContact O-N 2.91Å; A679-D704 PolarHBondContact O-N 2.86Å; A679-D704 VanDerWaalsContact O-N 3.17Å | ||
| 680 | I | 95.3 | Very high | 93.1 | Very high | 40.6667 Ų | 40.6667 | 30.4 Ų | 30.4 | 21% | 0.209 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 127.1 | -179.4 | -56.1 | 171.6 | 0 | 0 | 0 | 109.7 | E655 M656 L657 L678 D704 N1280 | E655-I680 PolarHBondContact O-N 2.96Å; E655-I680 VanDerWaalsContact O-N 3.11Å; M656-I680 WeakPolarHBondContact CA-O 3.3Å; M656-I680 HydrophobicContact CB-CB 4.28Å; M656-I680 HydrophobicContact CB-CD1 4.32Å; M656-I680 HydrophobicContact CE-CG2 4.31Å; M656-I680 HydrophobicContact CG-CB 4.07Å; M656-I680 HydrophobicContact CG-CD1 4.39Å; M656-I680 HydrophobicContact CG-CG2 4.2Å; M656-I680 HydrophobicContact SD-CD1 4.42Å; L657-I680 PolarHBondContact N-O 2.86Å; L678-I680 WeakPolarHBondContact CD1-O 3.13Å; I680-D704 WeakPolarHBondContact CA-O 3.25Å; I680-D704 HydrophobicContact CG1-CB 4.24Å; I680-D704 HydrophobicContact CG2-CB 4.37Å; I680-N1280 WeakPolarHBondContact CD1-ND2 3.27Å |
| 681 | V | 96.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 115.6 | 174.9 | 175.3 | 0 | 0 | 0 | 0 | 109.7 | L657 L672 L678 L683 F696 M699 L702 D704 L705 R706 | L657-V681 WeakPolarHBondContact O-CA 3.18Å; L672-V681 HydrophobicContact CD1-CG1 4.26Å; L678-V681 HydrophobicContact CD1-CG2 4.24Å; L678-V681 HydrophobicContact CD2-CG2 3.68Å; L678-V681 HydrophobicContact CG-CG2 3.69Å; V681-L683 HydrophobicContact CG1-CD1 3.95Å; V681-L683 HydrophobicContact CG1-CD2 4.37Å; V681-L683 HydrophobicContact CG1-CG 3.87Å; V681-F696 HydrophobicContact CG1-CD1 4.45Å; V681-F696 HydrophobicContact CG1-CE1 3.85Å; V681-M699 HydrophobicContact CG2-CE 4.15Å; V681-L702 HydrophobicContact CB-CD1 4.21Å; V681-L702 HydrophobicContact CG2-CD1 3.78Å; V681-D704 PolarHBondContact N-O 3.19Å; V681-L705 HydrophobicContact CB-CD1 3.95Å; V681-L705 HydrophobicContact CG1-CD1 3.91Å; V681-L705 WeakPolarHBondContact O-CA 3.22Å; V681-R706 PolarHBondContact O-N 3Å |
| 682 | D | 96.7 | Very high | 92.9 | Very high | 12 Ų | 12 | 27.7 Ų | 27.7 | 6% | 0.064 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 110.9 | 175.6 | -156.3 | -27.9 | 0 | 0 | 0 | 111 | L657 D658 L659 S660 S684 R706 | L657-D682 PolarHBondContact O-N 3.33Å; D658-D682 HydrophobicContact CB-CB 4.38Å; L659-D682 CarbonylContact C-O 3.49Å; L659-D682 PolarHBondContact N-O 2.93Å; S660-D682 WeakPolarHBondContact CB-OD1 3.38Å; S660-D682 PolarHBondContact N-O 2.86Å; D682-S684 VanDerWaalsContact OD1-CB 3.31Å; D682-S684 WeakPolarHBondContact OD1-CB 3.35Å; D682-S684 PolarHBondContact OD1-N 2.98Å; D682-S684 VanDerWaalsContact OD1-N 3.15Å; D682-S684 PolarHBondContact OD1-OG 3.09Å; D682-R706 HydrophobicContact CB-CB 4.25Å; D682-R706 WeakPolarHBondContact OD1-CB 3.44Å; D682-R706 WeakPolarHBondContact OD2-CD 3.31Å; D682-R706 IonicContact OD2-CZ 2.82Å; D682-R706 IonicContact OD2-NE 3.31Å; D682-R706 IonicContact OD2-NH1 3.12Å; D682-R706 PolarHBondContact OD2-NH1 3.32Å |
| 683 | L | 96.8 | Very high | 92.6 | Very high | 0.333333 Ų | 0.333333 | 30.1 Ų | 30.1 | 0% | 0.002 | 16% | 0.164 | C | C | . | . | trans | -119.3 | 17.4 | 176.7 | -62.8 | 172.2 | 0 | 0 | 0 | 110.8 | L659 L664 V667 L672 V681 N686 I688 F696 R706 L707 N710 | L659-L683 HydrophobicContact CB-CD2 3.89Å; L659-L683 HydrophobicContact CD1-CD2 4.14Å; L659-L683 HydrophobicContact CG-CD2 4.29Å; L664-L683 HydrophobicContact CD1-CD2 3.86Å; V667-L683 HydrophobicContact CB-CD1 4.1Å; V667-L683 HydrophobicContact CG1-CD1 4.01Å; V667-L683 VanDerWaalsContact CG1-CD1 3.47Å; V667-L683 HydrophobicContact CG2-CD1 4.11Å; L672-L683 HydrophobicContact CD1-CD1 4.09Å; V681-L683 HydrophobicContact CG1-CD1 3.95Å; V681-L683 HydrophobicContact CG1-CD2 4.37Å; V681-L683 HydrophobicContact CG1-CG 3.87Å; L683-N686 WeakPolarHBondContact O-CB 3.4Å; L683-N686 PolarHBondContact O-ND2 2.85Å; L683-N686 VanDerWaalsContact O-ND2 3.1Å; L683-I688 HydrophobicContact CB-CD1 4.11Å; L683-I688 HydrophobicContact CD1-CD1 4.27Å; L683-F696 HydrophobicContact CD1-CE1 4.15Å; L683-F696 HydrophobicContact CD1-CZ 4.12Å; L683-R706 CarbonylContact C-O 3.32Å; L683-R706 WeakPolarHBondContact CA-O 3.31Å; L683-R706 PolarHBondContact N-O 3.23Å; L683-L707 HydrophobicContact CB-CD2 3.87Å; L683-L707 HydrophobicContact CB-CG 4.49Å; L683-L707 HydrophobicContact CD1-CD2 4.07Å; L683-L707 HydrophobicContact CG-CD2 4.48Å; L683-N710 PolarHBondContact O-ND2 3.19Å; L683-N710 VanDerWaalsContact O-ND2 3.12Å | ||
| 684 | S | 95.7 | Very high | 92.3 | Very high | 15.3333 Ų | 15.3333 | 28.7 Ų | 28.7 | 11% | 0.107 | 16% | 0.162 | C | C | . | . | trans | -64 | 158.4 | -179.7 | 31.3 | 0 | 0 | 0 | 0 | 112.7 | S660 K661 D682 N686 R706 G708 | S660-S684 CarbonylContact C-O 3.29Å; S660-S684 VanDerWaalsContact C-O 3.32Å; S660-S684 WeakPolarHBondContact CA-O 3.43Å; S660-S684 WeakPolarHBondContact CB-O 3.42Å; S660-S684 VanDerWaalsContact CB-OG 3.29Å; S660-S684 WeakPolarHBondContact CB-OG 3.22Å; K661-S684 PolarHBondContact N-O 3Å; D682-S684 VanDerWaalsContact OD1-CB 3.31Å; D682-S684 WeakPolarHBondContact OD1-CB 3.35Å; D682-S684 PolarHBondContact OD1-N 2.98Å; D682-S684 VanDerWaalsContact OD1-N 3.15Å; D682-S684 PolarHBondContact OD1-OG 3.09Å; S684-N686 VanDerWaalsContact C-N 3.29Å; S684-N686 PolarHBondContact O-N 2.97Å; S684-N686 PolarHBondContact O-ND2 3.01Å; S684-R706 PolarHBondContact N-O 3.11Å; S684-R706 WeakPolarHBondContact OG-CB 3.4Å; S684-G708 CarbonylContact C-O 3.37Å; S684-G708 WeakPolarHBondContact CA-O 3.23Å; S684-G708 WeakPolarHBondContact CB-O 3.33Å; S684-G708 PolarHBondContact OG-N 2.89Å | ||
| 685 | E | 96.1 | Very high | 92.4 | Very high | 53 Ų | 53 | 28.7 Ų | 28.7 | 25% | 0.248 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 59.8 | 33.7 | 179.8 | -63 | 172.5 | -152.9 | 0 | 0 | 113.9 | R635 K661 N662 G708 K709 | R635-E685 IonicContact CZ-OE1 3.05Å; R635-E685 IonicContact CZ-OE2 3.54Å; R635-E685 IonicContact NH1-OE1 2.76Å; R635-E685 VanDerWaalsContact NH2-CD 3.33Å; R635-E685 IonicContact NH2-OE1 3.33Å; R635-E685 PolarHBondContact NH2-OE1 3.14Å; R635-E685 IonicContact NH2-OE2 3.44Å; R635-E685 PolarHBondContact NH2-OE2 2.79Å; K661-E685 VanDerWaalsContact CA-O 3.25Å; K661-E685 WeakPolarHBondContact CA-O 3.42Å; K661-E685 HydrophobicContact CB-CB 3.84Å; K661-E685 WeakPolarHBondContact CD-OE2 3.48Å; K661-E685 HydrophobicContact CG-CB 4.24Å; K661-E685 PolarHBondContact N-O 2.99Å; N662-E685 PolarHBondContact N-O 3.37Å; E685-G708 PolarHBondContact N-O 2.94Å; E685-K709 CarbonylContact C-O 3.12Å; E685-K709 VanDerWaalsContact CA-O 3.22Å; E685-K709 WeakPolarHBondContact CA-O 3.32Å; E685-K709 VanDerWaalsContact CD-NZ 3.3Å; E685-K709 HydrophobicContact CG-CB 4.01Å; E685-K709 HydrophobicContact CG-CD 3.39Å; E685-K709 HydrophobicContact CG-CG 4.38Å; E685-K709 PolarHBondContact N-O 3.2Å; E685-K709 VanDerWaalsContact N-O 3.1Å; E685-K709 IonicContact OE1-NZ 2.74Å; E685-K709 PolarHBondContact OE1-NZ 2.89Å; E685-K709 IonicContact OE2-NZ 3.67Å |
| 686 | N | 95.5 | Very high | 92.3 | Very high | 13.3333 Ų | 13.3333 | 28.5 Ų | 28.5 | 7% | 0.071 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -108.6 | -165.9 | 173.2 | -82.3 | -80.4 | 0 | 0 | 0 | 110.4 | L659 N662 C663 L664 L683 S684 I688 K709 N710 | L659-N686 PolarHBondContact O-ND2 3.16Å; N662-N686 VanDerWaalsContact CA-OD1 3.23Å; N662-N686 WeakPolarHBondContact CA-OD1 3.32Å; N662-N686 WeakPolarHBondContact CB-OD1 3.43Å; N662-N686 PolarHBondContact N-OD1 3.12Å; N662-N686 VanDerWaalsContact N-OD1 3.12Å; N662-N686 PolarHBondContact O-OD1 3.34Å; C663-N686 PolarHBondContact N-OD1 3.1Å; L664-N686 HydrophobicContact CB-CB 4.15Å; L664-N686 VanDerWaalsContact CB-OD1 3.29Å; L664-N686 WeakPolarHBondContact CB-OD1 3.41Å; L664-N686 WeakPolarHBondContact CG-OD1 3.43Å; L664-N686 PolarHBondContact N-OD1 3.12Å; L664-N686 VanDerWaalsContact N-OD1 3.14Å; L664-N686 WeakPolarHBondContact O-CB 3.06Å; L683-N686 WeakPolarHBondContact O-CB 3.4Å; L683-N686 PolarHBondContact O-ND2 2.85Å; L683-N686 VanDerWaalsContact O-ND2 3.1Å; S684-N686 VanDerWaalsContact C-N 3.29Å; S684-N686 PolarHBondContact O-N 2.97Å; S684-N686 PolarHBondContact O-ND2 3.01Å; N686-I688 HydrophobicContact CB-CD1 4.36Å; N686-I688 HydrophobicContact CB-CG1 4.24Å; N686-K709 PolarHBondContact N-O 2.91Å; N686-N710 VanDerWaalsContact CA-OD1 3.26Å; N686-N710 WeakPolarHBondContact CA-OD1 3.44Å; N686-N710 WeakPolarHBondContact CB-OD1 3.4Å; N686-N710 PolarHBondContact N-OD1 3.24Å; N686-N710 PolarHBondContact O-OD1 3.26Å |
| 687 | A | 94.9 | Very high | 92.4 | Very high | 32.6667 Ų | 32.6667 | 26 Ų | 26 | 27% | 0.27 | 15% | 0.145 | S | C | . | . | trans | -114.2 | 30 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L664 T665 E689 N710 | L664-A687 CarbonylContact O-C 3.27Å; L664-A687 VanDerWaalsContact O-C 3.28Å; L664-A687 WeakPolarHBondContact O-CA 3.44Å; L664-A687 PolarHBondContact O-N 3.28Å; T665-A687 WeakPolarHBondContact CA-O 3.3Å; T665-A687 HydrophobicContact CG2-CB 4.27Å; A687-E689 WeakPolarHBondContact O-CG 3.07Å; A687-E689 PolarHBondContact O-N 3.14Å; A687-N710 PolarHBondContact N-OD1 3.05Å | ||
| 688 | I | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -71 | 116.3 | -170.8 | -59.2 | 167.9 | 0 | 0 | 0 | 110.7 | L664 T665 V667 L683 N686 S690 L691 L707 N710 E711 I712 E1433 | L664-I688 HydrophobicContact CB-CG1 4.26Å; L664-I688 VanDerWaalsContact O-CG1 3.31Å; L664-I688 WeakPolarHBondContact O-CG1 3.38Å; L664-I688 PolarHBondContact O-N 3.18Å; L664-I688 VanDerWaalsContact O-N 3.08Å; T665-I688 VanDerWaalsContact O-CA 3.26Å; T665-I688 WeakPolarHBondContact O-CA 3.34Å; V667-I688 HydrophobicContact CG2-CD1 3.98Å; V667-I688 HydrophobicContact CG2-CG1 4.35Å; V667-I688 HydrophobicContact CG2-CG2 4.28Å; L683-I688 HydrophobicContact CB-CD1 4.11Å; L683-I688 HydrophobicContact CD1-CD1 4.27Å; N686-I688 HydrophobicContact CB-CD1 4.36Å; N686-I688 HydrophobicContact CB-CG1 4.24Å; I688-S690 WeakPolarHBondContact CG2-O 3.38Å; I688-L691 HydrophobicContact CG2-CD2 4.07Å; I688-L707 HydrophobicContact CD1-CD2 3.81Å; I688-N710 HydrophobicContact CB-CB 4.13Å; I688-N710 VanDerWaalsContact CB-OD1 3.28Å; I688-N710 WeakPolarHBondContact CB-OD1 3.14Å; I688-N710 VanDerWaalsContact CG1-OD1 3.27Å; I688-N710 WeakPolarHBondContact CG1-OD1 3.22Å; I688-N710 PolarHBondContact N-OD1 3Å; I688-E711 CarbonylContact O-C 3.32Å; I688-E711 VanDerWaalsContact O-C 3.31Å; I688-E711 VanDerWaalsContact O-CA 3.31Å; I688-E711 WeakPolarHBondContact O-CA 3.24Å; I688-E711 PolarHBondContact O-N 2.79Å; I688-I712 HydrophobicContact CB-CG1 4.35Å; I688-I712 HydrophobicContact CG2-CD1 4.47Å; I688-I712 HydrophobicContact CG2-CG1 4.17Å; I688-I712 WeakPolarHBondContact O-CA 3.39Å; I688-I712 VanDerWaalsContact O-CG1 3.23Å; I688-I712 WeakPolarHBondContact O-CG1 3.36Å; I688-I712 PolarHBondContact O-N 3.28Å; I688-I712 VanDerWaalsContact O-N 3.08Å; I688-E1433 HydrophobicContact CG2-CB 4.09Å; I688-E1433 HydrophobicContact CG2-CG 3.93Å | ||
| 689 | E | 91.8 | Very high | 92 | Very high | 109.667 Ų | 109.667 | 25.4 Ų | 25.4 | 51% | 0.512 | 14% | 0.142 | S | C | . | . | trans | -85.7 | -23.8 | -170.1 | -57.3 | -177.2 | 156.6 | 0 | 0 | 114.4 | T665 A687 E711 I712 E713 N1431 | T665-E689 PolarHBondContact O-N 3.22Å; T665-E689 VanDerWaalsContact O-N 3.12Å; A687-E689 WeakPolarHBondContact O-CG 3.07Å; A687-E689 PolarHBondContact O-N 3.14Å; E689-E711 HydrophobicContact CB-CB 4.47Å; E689-E711 HydrophobicContact CG-CB 4.21Å; E689-I712 CarbonylContact O-C 3.6Å; E689-I712 VanDerWaalsContact O-CA 3.25Å; E689-I712 WeakPolarHBondContact O-CA 3.48Å; E689-E713 PolarHBondContact O-N 3.12Å; E689-N1431 PolarHBondContact N-ND2 2.79Å; E689-N1431 WeakPolarHBondContact OE2-CB 3.48Å | ||
| 690 | S | 90.7 | Very high | 91.9 | Very high | 32 Ų | 32 | 25.6 Ų | 25.6 | 22% | 0.224 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 166 | 178.4 | 81.9 | 0 | 0 | 0 | 0 | 111.8 | I688 P692 E714 E1433 R1469 | I688-S690 WeakPolarHBondContact CG2-O 3.38Å; S690-P692 VanDerWaalsContact O-CD 3.3Å; S690-P692 WeakPolarHBondContact O-CD 3.36Å; S690-E714 CarbonylContact C-O 3.13Å; S690-E714 VanDerWaalsContact CA-O 3.32Å; S690-E714 WeakPolarHBondContact CA-O 3.34Å; S690-E1433 VanDerWaalsContact C-CD 3.41Å; S690-E1433 WeakPolarHBondContact CA-OE1 3.47Å; S690-E1433 WeakPolarHBondContact CB-OE1 3.48Å; S690-E1433 VanDerWaalsContact CB-OE2 3.31Å; S690-E1433 WeakPolarHBondContact CB-OE2 3.4Å; S690-E1433 PolarHBondContact N-OE1 3.08Å; S690-E1433 WeakPolarHBondContact O-CB 3.47Å; S690-E1433 WeakPolarHBondContact O-CG 3.41Å; S690-E1433 PolarHBondContact OG-OE1 2.78Å; S690-E1433 PolarHBondContact OG-OE2 2.74Å; S690-R1469 VanDerWaalsContact CB-NH1 3.29Å; S690-R1469 PolarHBondContact OG-NH1 3.32Å |
| 691 | L | 90.4 | Very high | 91.8 | Very high | 0.666667 Ų | 0.666667 | 26 Ų | 26 | 0% | 0.003 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 99.2 | 168 | -68.9 | -169.6 | 0 | 0 | 0 | 109.7 | V667 I688 F696 L707 I712 E714 V715 L716 A719 F720 L731 S1434 | V667-L691 HydrophobicContact CG2-CD2 3.56Å; V667-L691 VanDerWaalsContact CG2-CD2 3.5Å; I688-L691 HydrophobicContact CG2-CD2 4.07Å; L691-F696 HydrophobicContact CD2-CE2 4.36Å; L691-L707 HydrophobicContact CD1-CD1 3.72Å; L691-L707 HydrophobicContact CD2-CD1 4.11Å; L691-L707 HydrophobicContact CD2-CD2 4.37Å; L691-L707 HydrophobicContact CG-CD1 3.87Å; L691-I712 HydrophobicContact CB-CG2 4.19Å; L691-I712 HydrophobicContact CD1-CD1 4.34Å; L691-I712 HydrophobicContact CD2-CD1 4.14Å; L691-I712 HydrophobicContact CG-CD1 4.13Å; L691-I712 HydrophobicContact CG-CG2 4.33Å; L691-E714 PolarHBondContact N-O 2.98Å; L691-V715 HydrophobicContact CB-CB 4.29Å; L691-V715 HydrophobicContact CB-CG1 4.09Å; L691-V715 HydrophobicContact CB-CG2 4.13Å; L691-V715 HydrophobicContact CD1-CB 4.36Å; L691-V715 HydrophobicContact CD1-CG1 4.05Å; L691-V715 HydrophobicContact CD1-CG2 3.93Å; L691-V715 HydrophobicContact CG-CG1 4.49Å; L691-V715 HydrophobicContact CG-CG2 4.04Å; L691-V715 CarbonylContact O-C 3.5Å; L691-V715 WeakPolarHBondContact O-CA 2.8Å; L691-L716 PolarHBondContact O-N 2.99Å; L691-A719 HydrophobicContact CB-CB 4.22Å; L691-F720 HydrophobicContact CD1-CE1 4.46Å; L691-F720 HydrophobicContact CD1-CE2 4.43Å; L691-F720 HydrophobicContact CD1-CZ 4.03Å; L691-L731 HydrophobicContact CD1-CD2 4.17Å; L691-L731 HydrophobicContact CG-CD2 4.34Å; L691-S1434 WeakPolarHBondContact CD2-O 3.42Å |
| 692 | P | 85.5 | Confident | 91.7 | Very high | 28.6667 Ų | 28.6667 | 26 Ų | 26 | 19% | 0.186 | 14% | 0.142 | C | C | . | . | trans | -85.8 | 174.6 | -174.1 | 19.1 | -16.3 | 0 | 0 | 0 | 112.4 | S690 L694 Q695 L716 A719 E1433 A1435 I1440 | S690-P692 VanDerWaalsContact O-CD 3.3Å; S690-P692 WeakPolarHBondContact O-CD 3.36Å; P692-L694 PolarHBondContact O-N 2.82Å; P692-L694 VanDerWaalsContact O-N 3.1Å; P692-Q695 HydrophobicContact CG-CG 3.93Å; P692-Q695 VanDerWaalsContact O-CG 3.31Å; P692-Q695 WeakPolarHBondContact O-CG 3.26Å; P692-L716 HydrophobicContact CB-CD1 4.31Å; P692-A719 VanDerWaalsContact O-CA 3.26Å; P692-A719 WeakPolarHBondContact O-CA 3.39Å; P692-A719 VanDerWaalsContact O-CB 3.25Å; P692-A719 WeakPolarHBondContact O-CB 3.06Å; P692-E1433 VanDerWaalsContact CB-OE2 3.32Å; P692-E1433 WeakPolarHBondContact CB-OE2 3.41Å; P692-E1433 WeakPolarHBondContact CD-OE2 3.2Å; P692-E1433 HydrophobicContact CG-CB 3.91Å; P692-E1433 WeakPolarHBondContact CG-OE2 3.44Å; P692-A1435 PolarHBondContact O-N 3.25Å; P692-I1440 HydrophobicContact CB-CB 3.46Å; P692-I1440 VanDerWaalsContact CB-CB 3.46Å; P692-I1440 HydrophobicContact CB-CD1 3.46Å; P692-I1440 VanDerWaalsContact CB-CD1 3.46Å; P692-I1440 HydrophobicContact CB-CG1 3.49Å; P692-I1440 VanDerWaalsContact CB-CG1 3.49Å; P692-I1440 HydrophobicContact CB-CG2 3.63Å; P692-I1440 HydrophobicContact CG-CB 3.69Å; P692-I1440 HydrophobicContact CG-CD1 4.48Å; P692-I1440 HydrophobicContact CG-CG1 3.99Å; P692-I1440 HydrophobicContact CG-CG2 4.17Å | ||
| 693 | N | 85.2 | Confident | 91.5 | Very high | 50 Ų | 50 | 29.7 Ų | 29.7 | 27% | 0.267 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 139.6 | 176.1 | -72 | -30.4 | 0 | 0 | 0 | 112.2 | Q695 L716 L718 N1438 I1440 M1466 | N693-Q695 VanDerWaalsContact C-N 3.33Å; N693-Q695 PolarHBondContact O-N 2.81Å; N693-Q695 PolarHBondContact O-NE2 3.48Å; N693-Q695 VanDerWaalsContact O-NE2 3.17Å; N693-Q695 PolarHBondContact O-OE1 2.89Å; N693-L716 VanDerWaalsContact OD1-CB 3.26Å; N693-L716 WeakPolarHBondContact OD1-CB 3.27Å; N693-L718 CarbonylContact C-O 3.37Å; N693-L718 WeakPolarHBondContact CA-O 3.08Å; N693-L718 HydrophobicContact CB-CB 4.26Å; N693-L718 VanDerWaalsContact OD1-C 3.24Å; N693-L718 WeakPolarHBondContact OD1-CA 3.32Å; N693-L718 WeakPolarHBondContact OD1-CB 3.24Å; N693-L718 PolarHBondContact OD1-N 2.86Å; N693-N1438 VanDerWaalsContact O-O 3.12Å; N693-I1440 HydrophobicContact CB-CD1 3.63Å; N693-I1440 HydrophobicContact CB-CG1 3.88Å; N693-I1440 VanDerWaalsContact O-CG1 3.27Å; N693-I1440 WeakPolarHBondContact O-CG1 2.86Å; N693-M1466 HydrophobicContact CB-CB 4.47Å |
| 694 | L | 85 | Confident | 91.3 | Very high | 42.3333 Ų | 42.3333 | 30.2 Ų | 30.2 | 22% | 0.222 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 18.6 | 164.5 | -39.9 | -166.8 | 0 | 0 | 0 | 116 | R673 P692 F696 M697 L718 A719 M721 A1435 A1436 H1437 N1438 M1466 | R673-L694 PolarHBondContact NE-O 2.96Å; R673-L694 PolarHBondContact NH2-O 2.71Å; P692-L694 PolarHBondContact O-N 2.82Å; P692-L694 VanDerWaalsContact O-N 3.1Å; L694-F696 PolarHBondContact O-N 2.8Å; L694-M697 HydrophobicContact CB-CE 4.06Å; L694-M697 HydrophobicContact CB-SD 3.47Å; L694-M697 WeakPolarHBondContact CB-SD 2.88Å; L694-M697 HydrophobicContact CD1-CE 3.94Å; L694-M697 HydrophobicContact CD2-CE 3.82Å; L694-M697 HydrophobicContact CD2-SD 3.64Å; L694-M697 HydrophobicContact CG-CE 3.99Å; L694-M697 HydrophobicContact CG-SD 3.56Å; L694-M697 VanDerWaalsContact CG-SD 3.56Å; L694-L718 VanDerWaalsContact CA-O 3.24Å; L694-L718 WeakPolarHBondContact CA-O 3.27Å; L694-L718 WeakPolarHBondContact CB-O 3.36Å; L694-L718 HydrophobicContact CD2-CB 4.32Å; L694-L718 PolarHBondContact N-O 3.13Å; L694-A719 VanDerWaalsContact CB-O 3.26Å; L694-A719 WeakPolarHBondContact CB-O 2.86Å; L694-A719 PolarHBondContact N-O 3.03Å; L694-M721 HydrophobicContact CD2-CB 4.2Å; L694-M721 HydrophobicContact CD2-CE 3.56Å; L694-M721 VanDerWaalsContact CD2-CE 3.48Å; L694-M721 HydrophobicContact CD2-SD 3.98Å; L694-A1435 VanDerWaalsContact C-C 3.43Å; L694-A1436 CarbonylContact O-C 3.54Å; L694-A1436 WeakPolarHBondContact O-CA 3.2Å; L694-A1436 PolarHBondContact O-N 3.04Å; L694-H1437 HydrophobicContact CD1-CB 4.2Å; L694-H1437 HydrophobicContact CG-CB 4.12Å; L694-H1437 VanDerWaalsContact CG-N 3.28Å; L694-H1437 CarbonylContact O-C 3.12Å; L694-H1437 WeakPolarHBondContact O-CA 3.46Å; L694-H1437 PolarHBondContact O-N 3.48Å; L694-N1438 CarbonylContact C-O 3.6Å; L694-N1438 WeakPolarHBondContact CA-O 3.37Å; L694-N1438 HydrophobicContact CD1-CB 3.96Å; L694-N1438 CarbonylContact O-C 3.56Å; L694-N1438 PolarHBondContact O-N 2.8Å; L694-M1466 HydrophobicContact CD1-CB 4.29Å; L694-M1466 HydrophobicContact CD1-CE 4.04Å; L694-M1466 HydrophobicContact CD1-CG 4.02Å; L694-M1466 HydrophobicContact CD1-SD 3.14Å; L694-M1466 WeakPolarHBondContact CD1-SD 3.05Å |
| 695 | Q | 88.2 | Confident | 91.3 | Very high | 15 Ų | 15 | 29.5 Ų | 29.5 | 7% | 0.07 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -80.4 | -29.9 | 178.7 | -59.7 | -76.8 | -81.5 | 0 | 0 | 118.3 | V667 A669 R673 P692 N693 A719 C1420 C1432 E1433 S1434 A1436 N1438 T1439 I1440 | V667-Q695 HydrophobicContact CB-CB 4.29Å; V667-Q695 HydrophobicContact CB-CG 4.36Å; V667-Q695 HydrophobicContact CG1-CB 4.28Å; V667-Q695 PolarHBondContact O-OE1 3.02Å; A669-Q695 HydrophobicContact CB-CB 4.42Å; A669-Q695 VanDerWaalsContact CB-O 3.27Å; A669-Q695 WeakPolarHBondContact CB-O 3.2Å; R673-Q695 VanDerWaalsContact CD-C 3.46Å; R673-Q695 WeakPolarHBondContact CD-O 3.49Å; R673-Q695 WeakPolarHBondContact CG-O 3.37Å; R673-Q695 PolarHBondContact NE-O 3.47Å; R673-Q695 VanDerWaalsContact NH2-CG 3.27Å; P692-Q695 HydrophobicContact CG-CG 3.93Å; P692-Q695 VanDerWaalsContact O-CG 3.31Å; P692-Q695 WeakPolarHBondContact O-CG 3.26Å; N693-Q695 VanDerWaalsContact C-N 3.33Å; N693-Q695 PolarHBondContact O-N 2.81Å; N693-Q695 PolarHBondContact O-NE2 3.48Å; N693-Q695 VanDerWaalsContact O-NE2 3.17Å; N693-Q695 PolarHBondContact O-OE1 2.89Å; Q695-A719 PolarHBondContact N-O 3.12Å; Q695-C1420 PolarHBondContact NE2-SG 3.37Å; Q695-C1432 PolarHBondContact NE2-SG 3.42Å; Q695-E1433 WeakPolarHBondContact CB-O 3.42Å; Q695-E1433 VanDerWaalsContact CD-O 3.26Å; Q695-E1433 PolarHBondContact NE2-O 3.11Å; Q695-S1434 VanDerWaalsContact C-CB 3.4Å; Q695-S1434 VanDerWaalsContact C-OG 3.31Å; Q695-S1434 PolarHBondContact O-OG 2.87Å; Q695-A1436 VanDerWaalsContact C-CA 3.49Å; Q695-A1436 VanDerWaalsContact C-CB 3.42Å; Q695-N1438 WeakPolarHBondContact CG-O 3.39Å; Q695-T1439 HydrophobicContact CG-CG2 4.34Å; Q695-I1440 PolarHBondContact NE2-O 3.05Å; Q695-I1440 VanDerWaalsContact OE1-CA 3.24Å; Q695-I1440 PolarHBondContact OE1-O 2.7Å |
| 696 | F | 90.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 98.6 | 165.7 | -28 | -109.4 | 0 | 0 | 0 | 112.5 | V667 L672 V681 L683 L691 L694 M699 L705 L707 A719 F720 M721 V723 S1434 A1435 A1436 | V667-F696 HydrophobicContact CB-CZ 4.39Å; V667-F696 HydrophobicContact CG1-CD1 4.11Å; V667-F696 HydrophobicContact CG1-CE1 3.71Å; V667-F696 VanDerWaalsContact CG1-CE1 3.5Å; V667-F696 HydrophobicContact CG1-CE2 4.3Å; V667-F696 HydrophobicContact CG1-CZ 3.68Å; V667-F696 HydrophobicContact CG2-CE2 4.11Å; V667-F696 HydrophobicContact CG2-CZ 3.89Å; L672-F696 HydrophobicContact CB-CD1 4.27Å; L672-F696 HydrophobicContact CD1-CD1 3.82Å; L672-F696 VanDerWaalsContact CD1-CD1 3.48Å; L672-F696 HydrophobicContact CD1-CE1 3.83Å; V681-F696 HydrophobicContact CG1-CD1 4.45Å; V681-F696 HydrophobicContact CG1-CE1 3.85Å; L683-F696 HydrophobicContact CD1-CE1 4.15Å; L683-F696 HydrophobicContact CD1-CZ 4.12Å; L691-F696 HydrophobicContact CD2-CE2 4.36Å; L694-F696 PolarHBondContact O-N 2.8Å; F696-M699 HydrophobicContact CB-CE 4.32Å; F696-M699 HydrophobicContact CB-SD 3.91Å; F696-M699 HydrophobicContact CD1-CE 3.75Å; F696-M699 HydrophobicContact CD1-SD 3.96Å; F696-M699 HydrophobicContact CG-CE 4.49Å; F696-M699 HydrophobicContact CG-SD 4.49Å; F696-L705 HydrophobicContact CD1-CD1 4.4Å; F696-L705 HydrophobicContact CD1-CD2 4.43Å; F696-L705 HydrophobicContact CD2-CD2 4.18Å; F696-L705 HydrophobicContact CE1-CD1 3.71Å; F696-L705 VanDerWaalsContact CE1-CD1 3.47Å; F696-L705 HydrophobicContact CE1-CD2 4.28Å; F696-L705 HydrophobicContact CE2-CD1 3.93Å; F696-L705 HydrophobicContact CE2-CD2 3.77Å; F696-L705 VanDerWaalsContact CE2-CD2 3.48Å; F696-L705 HydrophobicContact CE2-CG 4.34Å; F696-L705 HydrophobicContact CG-CD2 4.46Å; F696-L705 HydrophobicContact CZ-CD1 3.63Å; F696-L705 HydrophobicContact CZ-CD2 3.85Å; F696-L705 HydrophobicContact CZ-CG 4.29Å; F696-L707 HydrophobicContact CE2-CD1 4.27Å; F696-L707 HydrophobicContact CZ-CD1 4.3Å; F696-L707 HydrophobicContact CZ-CD2 4.32Å; F696-A719 PolarHBondContact N-O 3.12Å; F696-F720 HydrophobicContact CB-CD1 3.92Å; F696-F720 HydrophobicContact CB-CE1 4.44Å; F696-F720 AromaticContact CD2-CD1 3.74Å; F696-F720 HydrophobicContact CD2-CD1 3.74Å; F696-F720 AromaticContact CD2-CE1 3.43Å; F696-F720 HydrophobicContact CD2-CE1 3.43Å; F696-F720 VanDerWaalsContact CD2-CE1 3.43Å; F696-F720 HydrophobicContact CD2-CZ 4.38Å; F696-F720 AromaticContact CE2-CE1 3.95Å; F696-F720 HydrophobicContact CE2-CE1 3.95Å; F696-F720 HydrophobicContact CG-CD1 4.15Å; F696-F720 HydrophobicContact CG-CE1 4.17Å; F696-F720 CarbonylContact O-C 3.31Å; F696-F720 WeakPolarHBondContact O-CA 3.11Å; F696-M721 PolarHBondContact O-N 3.14Å; F696-V723 HydrophobicContact CB-CG2 4.45Å; F696-S1434 WeakPolarHBondContact CD2-O 3.15Å; F696-S1434 VanDerWaalsContact CE2-O 3.31Å; F696-S1434 WeakPolarHBondContact CE2-O 3.38Å; F696-S1434 VanDerWaalsContact CG-CB 3.49Å; F696-S1434 VanDerWaalsContact N-C 3.29Å; F696-A1435 CarbonylContact C-O 3.48Å; F696-A1435 VanDerWaalsContact CA-C 3.42Å; F696-A1435 HydrophobicContact CD2-CB 4.07Å; F696-A1435 WeakPolarHBondContact O-CB 3.47Å; F696-A1436 VanDerWaalsContact CA-N 3.3Å; F696-A1436 HydrophobicContact CB-CB 4.42Å |
| 697 | M | 88.9 | Confident | 91.3 | Very high | 18.6667 Ų | 18.6667 | 28.6 Ų | 28.6 | 9% | 0.092 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 140.8 | -160.3 | 175.6 | -143.9 | -96.4 | 0 | 0 | 112.9 | R673 G674 L694 M699 M721 N722 V723 F1417 A1435 A1436 H1437 | R673-M697 CarbonylContact C-O 3.56Å; R673-M697 VanDerWaalsContact CA-O 3.27Å; R673-M697 WeakPolarHBondContact CA-O 3.33Å; R673-M697 HydrophobicContact CB-CB 4.13Å; R673-M697 HydrophobicContact CG-CB 3.89Å; R673-M697 HydrophobicContact CG-CG 4.45Å; R673-M697 HydrophobicContact CG-SD 4.49Å; R673-M697 VanDerWaalsContact CZ-SD 3.51Å; R673-M697 PolarHBondContact NE-SD 3.01Å; R673-M697 PolarHBondContact NH2-SD 2.75Å; G674-M697 PolarHBondContact N-O 3.01Å; L694-M697 HydrophobicContact CB-CE 4.06Å; L694-M697 HydrophobicContact CB-SD 3.47Å; L694-M697 WeakPolarHBondContact CB-SD 2.88Å; L694-M697 HydrophobicContact CD1-CE 3.94Å; L694-M697 HydrophobicContact CD2-CE 3.82Å; L694-M697 HydrophobicContact CD2-SD 3.64Å; L694-M697 HydrophobicContact CG-CE 3.99Å; L694-M697 HydrophobicContact CG-SD 3.56Å; L694-M697 VanDerWaalsContact CG-SD 3.56Å; M697-M699 WeakPolarHBondContact O-CB 3.17Å; M697-M699 WeakPolarHBondContact O-CG 3.19Å; M697-M699 PolarHBondContact O-N 2.89Å; M697-M699 VanDerWaalsContact O-SD 3.41Å; M697-M721 CarbonylContact C-O 3.18Å; M697-M721 VanDerWaalsContact CA-O 3.25Å; M697-M721 WeakPolarHBondContact CA-O 3.37Å; M697-M721 HydrophobicContact CB-CB 4.4Å; M697-M721 WeakPolarHBondContact CB-O 3.32Å; M697-M721 HydrophobicContact CE-CB 3.52Å; M697-M721 HydrophobicContact CE-CG 3.53Å; M697-M721 HydrophobicContact CE-SD 3.67Å; M697-M721 WeakPolarHBondContact CE-SD 3.35Å; M697-M721 HydrophobicContact CG-CB 4.11Å; M697-M721 HydrophobicContact CG-CG 4.09Å; M697-M721 WeakPolarHBondContact CG-O 3.09Å; M697-M721 HydrophobicContact CG-SD 4.08Å; M697-M721 HydrophobicContact SD-CB 3.41Å; M697-M721 WeakPolarHBondContact SD-CB 3.33Å; M697-M721 HydrophobicContact SD-CG 4.1Å; M697-M721 PolarHBondContact SD-N 3.43Å; M697-M721 HydrophobicContact SD-SD 3.97Å; M697-N722 HydrophobicContact CG-CB 4.23Å; M697-V723 HydrophobicContact CB-CG2 3.28Å; M697-F1417 WeakPolarHBondContact O-CE1 3.41Å; M697-F1417 WeakPolarHBondContact O-CZ 3.04Å; M697-A1435 WeakPolarHBondContact CA-O 3.31Å; M697-A1435 WeakPolarHBondContact CB-O 3.27Å; M697-A1435 WeakPolarHBondContact CG-O 3.14Å; M697-A1435 PolarHBondContact N-O 3.5Å; M697-A1436 VanDerWaalsContact CE-C 3.4Å; M697-A1436 WeakPolarHBondContact CE-O 3.49Å; M697-A1436 WeakPolarHBondContact CG-O 3.1Å; M697-H1437 HydrophobicContact CE-CB 4.03Å; M697-H1437 VanDerWaalsContact CE-CD2 3.4Å; M697-H1437 WeakPolarHBondContact CE-CD2 3.19Å; M697-H1437 VanDerWaalsContact CE-CG 3.44Å |
| 698 | N | 88 | Confident | 91.3 | Very high | 48.3333 Ų | 48.3333 | 27.2 Ų | 27.2 | 26% | 0.258 | 14% | 0.135 | S | C | . | . | S | Bend | trans | 49.2 | 46.3 | 173.4 | -92 | -7.9 | 0 | 0 | 0 | 113.6 | G674 P700 M721 N722 S1416 F1417 | G674-N698 CarbonylContact C-O 3.52Å; G674-N698 VanDerWaalsContact C-O 3.25Å; G674-N698 WeakPolarHBondContact CA-O 3.33Å; G674-N698 PolarHBondContact N-O 2.86Å; N698-P700 WeakPolarHBondContact O-CD 3.48Å; N698-M721 PolarHBondContact N-O 3.28Å; N698-N722 WeakPolarHBondContact CA-O 3.15Å; N698-N722 PolarHBondContact N-O 2.91Å; N698-N722 WeakPolarHBondContact OD1-CB 3.22Å; N698-N722 PolarHBondContact OD1-ND2 3.21Å; N698-S1416 PolarHBondContact ND2-N 2.83Å; N698-S1416 PolarHBondContact ND2-O 3.04Å; N698-S1416 PolarHBondContact ND2-OG 3.37Å; N698-S1416 VanDerWaalsContact ND2-OG 3.11Å; N698-F1417 HydrophobicContact CB-CD1 3.8Å; N698-F1417 HydrophobicContact CB-CD2 3.77Å; N698-F1417 HydrophobicContact CB-CE1 3.72Å; N698-F1417 HydrophobicContact CB-CE2 3.55Å; N698-F1417 HydrophobicContact CB-CG 3.95Å; N698-F1417 HydrophobicContact CB-CZ 3.61Å; N698-F1417 WeakPolarHBondContact O-CE2 3.21Å; N698-F1417 WeakPolarHBondContact O-CZ 3.25Å |
| 699 | M | 91.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -115.1 | 77.7 | 176.4 | -58.6 | 177.2 | 48.2 | 0 | 0 | 108.1 | L672 L678 V681 F696 M697 E701 L702 N722 V723 F1417 | L672-M699 HydrophobicContact CB-CE 4.41Å; L672-M699 HydrophobicContact CB-SD 4.13Å; L678-M699 HydrophobicContact CB-CE 4.09Å; L678-M699 HydrophobicContact CD2-CE 3.8Å; L678-M699 HydrophobicContact CG-CE 4.01Å; V681-M699 HydrophobicContact CG2-CE 4.15Å; F696-M699 HydrophobicContact CB-CE 4.32Å; F696-M699 HydrophobicContact CB-SD 3.91Å; F696-M699 HydrophobicContact CD1-CE 3.75Å; F696-M699 HydrophobicContact CD1-SD 3.96Å; F696-M699 HydrophobicContact CG-CE 4.49Å; F696-M699 HydrophobicContact CG-SD 4.49Å; M697-M699 WeakPolarHBondContact O-CB 3.17Å; M697-M699 WeakPolarHBondContact O-CG 3.19Å; M697-M699 PolarHBondContact O-N 2.89Å; M697-M699 VanDerWaalsContact O-SD 3.41Å; M699-E701 VanDerWaalsContact C-N 3.31Å; M699-E701 PolarHBondContact O-N 3.04Å; M699-L702 HydrophobicContact CB-CB 3.97Å; M699-L702 HydrophobicContact CE-CB 4.26Å; M699-L702 HydrophobicContact CE-CD1 4.2Å; M699-L702 HydrophobicContact CE-CD2 3.87Å; M699-L702 HydrophobicContact CE-CG 4.27Å; M699-L702 WeakPolarHBondContact O-CB 3.38Å; M699-L702 PolarHBondContact O-N 3.12Å; M699-L702 VanDerWaalsContact O-N 3.16Å; M699-L702 HydrophobicContact SD-CD2 4.15Å; M699-N722 PolarHBondContact N-O 3.11Å; M699-N722 VanDerWaalsContact N-O 3.12Å; M699-V723 HydrophobicContact CB-CG1 4.28Å; M699-V723 HydrophobicContact CB-CG2 4.44Å; M699-F1417 HydrophobicContact CB-CZ 4.46Å; M699-F1417 HydrophobicContact CG-CE1 3.79Å; M699-F1417 HydrophobicContact CG-CZ 3.65Å; M699-F1417 HydrophobicContact SD-CE1 4.44Å | ||
| 700 | P | 90.8 | Very high | 91.4 | Very high | 24.3333 Ų | 24.3333 | 27 Ų | 27 | 16% | 0.158 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -11.7 | -167.9 | 29.1 | -36.9 | 0 | 0 | 0 | 114.2 | Q676 N698 P724 K725 V1413 R1414 | Q676-P700 WeakPolarHBondContact O-CG 3.46Å; N698-P700 WeakPolarHBondContact O-CD 3.48Å; P700-P724 HydrophobicContact CB-CG 4.28Å; P700-K725 VanDerWaalsContact O-CD 3.27Å; P700-K725 WeakPolarHBondContact O-CD 3.34Å; P700-K725 WeakPolarHBondContact O-CE 3.38Å; P700-K725 VanDerWaalsContact O-CG 3.25Å; P700-K725 WeakPolarHBondContact O-CG 3.37Å; P700-V1413 HydrophobicContact CB-CG1 4.4Å; P700-V1413 HydrophobicContact CG-CG1 4.23Å; P700-R1414 HydrophobicContact CG-CB 4.39Å; P700-R1414 HydrophobicContact CG-CG 3.38Å |
| 701 | E | 93.4 | Very high | 91.7 | Very high | 49.3333 Ų | 49.3333 | 29.6 Ų | 29.6 | 23% | 0.231 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -0.1 | 177.6 | -65.4 | -63.6 | 158 | 0 | 0 | 114.4 | Q676 A679 M699 R703 K725 | Q676-E701 WeakPolarHBondContact O-CG 3.28Å; A679-E701 VanDerWaalsContact CA-O 3.28Å; A679-E701 WeakPolarHBondContact CA-O 3.37Å; A679-E701 WeakPolarHBondContact CB-O 3.5Å; M699-E701 VanDerWaalsContact C-N 3.31Å; M699-E701 PolarHBondContact O-N 3.04Å; E701-R703 WeakPolarHBondContact O-CG 3.3Å; E701-R703 PolarHBondContact O-N 3.26Å; E701-R703 IonicContact OE2-CZ 3.2Å; E701-R703 IonicContact OE2-NE 3.58Å; E701-R703 IonicContact OE2-NH2 2.65Å; E701-R703 PolarHBondContact OE2-NH2 3.14Å; E701-K725 IonicContact OE1-NZ 3.15Å; E701-K725 PolarHBondContact OE1-NZ 3.13Å; E701-K725 WeakPolarHBondContact OE2-CD 3.32Å; E701-K725 IonicContact OE2-NZ 3.07Å; E701-K725 PolarHBondContact OE2-NZ 3.01Å |
| 702 | L | 93.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -63 | 123.8 | 177.6 | -177.8 | 68.7 | 0 | 0 | 0 | 110.5 | L678 V681 M699 L705 V723 K725 L726 | L678-L702 VanDerWaalsContact O-CA 3.26Å; L678-L702 WeakPolarHBondContact O-CA 3.29Å; L678-L702 WeakPolarHBondContact O-CB 3.1Å; L678-L702 WeakPolarHBondContact O-CD1 2.86Å; L678-L702 PolarHBondContact O-N 2.99Å; V681-L702 HydrophobicContact CB-CD1 4.21Å; V681-L702 HydrophobicContact CG2-CD1 3.78Å; M699-L702 HydrophobicContact CB-CB 3.97Å; M699-L702 HydrophobicContact CE-CB 4.26Å; M699-L702 HydrophobicContact CE-CD1 4.2Å; M699-L702 HydrophobicContact CE-CD2 3.87Å; M699-L702 HydrophobicContact CE-CG 4.27Å; M699-L702 WeakPolarHBondContact O-CB 3.38Å; M699-L702 PolarHBondContact O-N 3.12Å; M699-L702 VanDerWaalsContact O-N 3.16Å; M699-L702 HydrophobicContact SD-CD2 4.15Å; L702-L705 HydrophobicContact CD2-CB 4.42Å; L702-V723 HydrophobicContact CB-CG1 3.86Å; L702-V723 HydrophobicContact CD2-CB 4.48Å; L702-V723 HydrophobicContact CD2-CG1 4.06Å; L702-V723 HydrophobicContact CG-CG1 4.25Å; L702-K725 CarbonylContact O-C 3.39Å; L702-K725 VanDerWaalsContact O-O 3.11Å; L702-L726 HydrophobicContact CD2-CD1 4.15Å; L702-L726 HydrophobicContact CG-CD1 3.99Å; L702-L726 VanDerWaalsContact O-CA 3.27Å; L702-L726 WeakPolarHBondContact O-CA 3.23Å; L702-L726 PolarHBondContact O-N 3.34Å; L702-L726 VanDerWaalsContact O-N 3.1Å | ||
| 703 | R | 93.3 | Very high | 92.1 | Very high | 89 Ų | 89 | 33.3 Ų | 33.3 | 34% | 0.336 | 16% | 0.156 | S | C | . | . | trans | -121.4 | -36.9 | -176.4 | -70.4 | 165.2 | -164.9 | -98 | 2.8 | 113.5 | A679 E701 K725 E727 S728 | A679-R703 PolarHBondContact O-N 2.91Å; E701-R703 WeakPolarHBondContact O-CG 3.3Å; E701-R703 PolarHBondContact O-N 3.26Å; E701-R703 IonicContact OE2-CZ 3.2Å; E701-R703 IonicContact OE2-NE 3.58Å; E701-R703 IonicContact OE2-NH2 2.65Å; E701-R703 PolarHBondContact OE2-NH2 3.14Å; R703-K725 WeakPolarHBondContact CA-O 3.2Å; R703-K725 HydrophobicContact CG-CB 4.41Å; R703-K725 VanDerWaalsContact CG-O 3.31Å; R703-K725 WeakPolarHBondContact CG-O 3.28Å; R703-E727 HydrophobicContact CB-CB 4.42Å; R703-E727 HydrophobicContact CB-CG 4.27Å; R703-E727 WeakPolarHBondContact CD-OE1 3.3Å; R703-E727 HydrophobicContact CG-CG 4.21Å; R703-E727 WeakPolarHBondContact CG-OE1 3.43Å; R703-E727 IonicContact CZ-OE1 3.03Å; R703-E727 IonicContact NE-OE1 3.32Å; R703-E727 IonicContact NH1-OE1 2.85Å; R703-E727 PolarHBondContact NH1-OE1 3.13Å; R703-E727 CarbonylContact O-C 3.14Å; R703-E727 WeakPolarHBondContact O-CA 3.21Å; R703-E727 WeakPolarHBondContact O-CB 3.36Å; R703-E727 PolarHBondContact O-N 3.15Å; R703-S728 PolarHBondContact O-N 2.94Å | ||
| 704 | D | 93.4 | Very high | 92.1 | Very high | 12 Ų | 12 | 34.3 Ų | 34.3 | 6% | 0.064 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 111.1 | -176.2 | -174.6 | 19.5 | 0 | 0 | 0 | 110 | A679 I680 V681 R706 S728 | A679-D704 PolarHBondContact O-N 2.86Å; A679-D704 VanDerWaalsContact O-N 3.17Å; I680-D704 WeakPolarHBondContact CA-O 3.25Å; I680-D704 HydrophobicContact CG1-CB 4.24Å; I680-D704 HydrophobicContact CG2-CB 4.37Å; V681-D704 PolarHBondContact N-O 3.19Å; D704-R706 IonicContact OD1-NE 2.94Å; D704-R706 PolarHBondContact OD1-NE 2.93Å; D704-R706 IonicContact OD2-CZ 3.46Å; D704-R706 VanDerWaalsContact OD2-CZ 3.24Å; D704-R706 IonicContact OD2-NE 3.04Å; D704-R706 PolarHBondContact OD2-NE 3.07Å; D704-R706 IonicContact OD2-NH2 3.43Å; D704-R706 PolarHBondContact OD2-NH2 2.88Å; D704-S728 VanDerWaalsContact OD1-CB 3.24Å; D704-S728 WeakPolarHBondContact OD1-CB 3.28Å; D704-S728 PolarHBondContact OD1-OG 3.07Å |
| 705 | L | 95 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 120.5 | 178.7 | 176.3 | 59.5 | 0 | 0 | 0 | 110.2 | V681 F696 L702 L707 F720 L726 S728 L729 N730 | V681-L705 HydrophobicContact CB-CD1 3.95Å; V681-L705 HydrophobicContact CG1-CD1 3.91Å; V681-L705 WeakPolarHBondContact O-CA 3.22Å; F696-L705 HydrophobicContact CD1-CD1 4.4Å; F696-L705 HydrophobicContact CD1-CD2 4.43Å; F696-L705 HydrophobicContact CD2-CD2 4.18Å; F696-L705 HydrophobicContact CE1-CD1 3.71Å; F696-L705 VanDerWaalsContact CE1-CD1 3.47Å; F696-L705 HydrophobicContact CE1-CD2 4.28Å; F696-L705 HydrophobicContact CE2-CD1 3.93Å; F696-L705 HydrophobicContact CE2-CD2 3.77Å; F696-L705 VanDerWaalsContact CE2-CD2 3.48Å; F696-L705 HydrophobicContact CE2-CG 4.34Å; F696-L705 HydrophobicContact CG-CD2 4.46Å; F696-L705 HydrophobicContact CZ-CD1 3.63Å; F696-L705 HydrophobicContact CZ-CD2 3.85Å; F696-L705 HydrophobicContact CZ-CG 4.29Å; L702-L705 HydrophobicContact CD2-CB 4.42Å; L705-L707 HydrophobicContact CD1-CD1 4.22Å; L705-L707 HydrophobicContact CD1-CG 4.32Å; L705-L707 HydrophobicContact CD2-CD1 3.98Å; L705-L707 HydrophobicContact CG-CD1 3.97Å; L705-L707 HydrophobicContact CG-CG 4.41Å; L705-F720 HydrophobicContact CD2-CE1 3.66Å; L705-F720 HydrophobicContact CD2-CZ 4.39Å; L705-L726 HydrophobicContact CB-CD1 3.91Å; L705-S728 PolarHBondContact N-O 2.97Å; L705-L729 HydrophobicContact CB-CD1 4.22Å; L705-L729 HydrophobicContact CD2-CD1 4Å; L705-L729 HydrophobicContact CG-CD1 4.11Å; L705-L729 WeakPolarHBondContact O-CA 3.3Å; L705-N730 PolarHBondContact O-N 3.01Å |
| 706 | R | 96.2 | Very high | 91.8 | Very high | 48.6667 Ų | 48.6667 | 33.5 Ų | 33.5 | 18% | 0.184 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 117.8 | -175.1 | -51.6 | 166.4 | -176.1 | -165.4 | -2.9 | 110.7 | V681 D682 L683 S684 D704 N730 L1276 N1280 E1281 | V681-R706 PolarHBondContact O-N 3Å; D682-R706 HydrophobicContact CB-CB 4.25Å; D682-R706 WeakPolarHBondContact OD1-CB 3.44Å; D682-R706 WeakPolarHBondContact OD2-CD 3.31Å; D682-R706 IonicContact OD2-CZ 2.82Å; D682-R706 IonicContact OD2-NE 3.31Å; D682-R706 IonicContact OD2-NH1 3.12Å; D682-R706 PolarHBondContact OD2-NH1 3.32Å; L683-R706 CarbonylContact C-O 3.32Å; L683-R706 WeakPolarHBondContact CA-O 3.31Å; L683-R706 PolarHBondContact N-O 3.23Å; S684-R706 PolarHBondContact N-O 3.11Å; S684-R706 WeakPolarHBondContact OG-CB 3.4Å; D704-R706 IonicContact OD1-NE 2.94Å; D704-R706 PolarHBondContact OD1-NE 2.93Å; D704-R706 IonicContact OD2-CZ 3.46Å; D704-R706 VanDerWaalsContact OD2-CZ 3.24Å; D704-R706 IonicContact OD2-NE 3.04Å; D704-R706 PolarHBondContact OD2-NE 3.07Å; D704-R706 IonicContact OD2-NH2 3.43Å; D704-R706 PolarHBondContact OD2-NH2 2.88Å; R706-N730 HydrophobicContact CB-CB 4.37Å; R706-N730 HydrophobicContact CG-CB 4.45Å; R706-L1276 HydrophobicContact CG-CD1 4.43Å; R706-L1276 PolarHBondContact NH2-O 2.87Å; R706-N1280 PolarHBondContact NH2-ND2 3.27Å; R706-E1281 IonicContact CZ-OE1 3.45Å; R706-E1281 IonicContact NH1-OE1 2.94Å; R706-E1281 PolarHBondContact NH1-OE1 3.12Å; R706-E1281 IonicContact NH2-OE1 2.71Å; R706-E1281 PolarHBondContact NH2-OE1 2.84Å |
| 707 | L | 95.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -128.4 | 19.1 | -178.8 | -73 | 157.5 | 0 | 0 | 0 | 110.8 | V667 L683 I688 L691 F696 L705 N710 I712 N730 L731 N734 | V667-L707 HydrophobicContact CG2-CD2 3.82Å; L683-L707 HydrophobicContact CB-CD2 3.87Å; L683-L707 HydrophobicContact CB-CG 4.49Å; L683-L707 HydrophobicContact CD1-CD2 4.07Å; L683-L707 HydrophobicContact CG-CD2 4.48Å; I688-L707 HydrophobicContact CD1-CD2 3.81Å; L691-L707 HydrophobicContact CD1-CD1 3.72Å; L691-L707 HydrophobicContact CD2-CD1 4.11Å; L691-L707 HydrophobicContact CD2-CD2 4.37Å; L691-L707 HydrophobicContact CG-CD1 3.87Å; F696-L707 HydrophobicContact CE2-CD1 4.27Å; F696-L707 HydrophobicContact CZ-CD1 4.3Å; F696-L707 HydrophobicContact CZ-CD2 4.32Å; L705-L707 HydrophobicContact CD1-CD1 4.22Å; L705-L707 HydrophobicContact CD1-CG 4.32Å; L705-L707 HydrophobicContact CD2-CD1 3.98Å; L705-L707 HydrophobicContact CG-CD1 3.97Å; L705-L707 HydrophobicContact CG-CG 4.41Å; L707-N710 WeakPolarHBondContact O-CB 3.12Å; L707-N710 PolarHBondContact O-ND2 3.21Å; L707-I712 HydrophobicContact CB-CD1 3.97Å; L707-I712 HydrophobicContact CD1-CD1 4.5Å; L707-I712 HydrophobicContact CD2-CD1 4.32Å; L707-N730 CarbonylContact C-O 3.19Å; L707-N730 WeakPolarHBondContact CA-O 3.37Å; L707-N730 PolarHBondContact N-O 3.19Å; L707-L731 HydrophobicContact CB-CD2 3.96Å; L707-L731 HydrophobicContact CD1-CD2 4.17Å; L707-N734 PolarHBondContact O-ND2 3.28Å | ||
| 708 | G | 94.1 | Very high | 90.2 | Very high | 1.66667 Ų | 1.66667 | 39 Ų | 39 | 2% | 0.017 | 19% | 0.188 | C | C | . | . | trans | -66 | 146.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S684 E685 N710 N730 T732 | S684-G708 CarbonylContact C-O 3.37Å; S684-G708 WeakPolarHBondContact CA-O 3.23Å; S684-G708 WeakPolarHBondContact CB-O 3.33Å; S684-G708 PolarHBondContact OG-N 2.89Å; E685-G708 PolarHBondContact N-O 2.94Å; G708-N710 PolarHBondContact O-N 2.74Å; G708-N710 PolarHBondContact O-ND2 2.84Å; G708-N730 VanDerWaalsContact CA-OD1 3.31Å; G708-N730 WeakPolarHBondContact CA-OD1 3.15Å; G708-N730 PolarHBondContact N-O 3.12Å; G708-T732 CarbonylContact C-O 3.49Å; G708-T732 WeakPolarHBondContact CA-O 3.36Å; G708-T732 VanDerWaalsContact CA-OG1 3.24Å; G708-T732 WeakPolarHBondContact CA-OG1 3.22Å | ||
| 709 | K | 95.4 | Very high | 90 | Very high | 99 Ų | 99 | 36.7 Ų | 36.7 | 43% | 0.43 | 18% | 0.175 | S | C | . | . | S | Bend | trans | 55.8 | 57.6 | -174.8 | -52.8 | 165.3 | -176.2 | 176 | 0 | 111.4 | E685 N686 T732 K733 | E685-K709 CarbonylContact C-O 3.12Å; E685-K709 VanDerWaalsContact CA-O 3.22Å; E685-K709 WeakPolarHBondContact CA-O 3.32Å; E685-K709 VanDerWaalsContact CD-NZ 3.3Å; E685-K709 HydrophobicContact CG-CB 4.01Å; E685-K709 HydrophobicContact CG-CD 3.39Å; E685-K709 HydrophobicContact CG-CG 4.38Å; E685-K709 PolarHBondContact N-O 3.2Å; E685-K709 VanDerWaalsContact N-O 3.1Å; E685-K709 IonicContact OE1-NZ 2.74Å; E685-K709 PolarHBondContact OE1-NZ 2.89Å; E685-K709 IonicContact OE2-NZ 3.67Å; N686-K709 PolarHBondContact N-O 2.91Å; K709-T732 PolarHBondContact N-O 3.07Å; K709-K733 VanDerWaalsContact CA-O 3.26Å; K709-K733 WeakPolarHBondContact CA-O 3.31Å; K709-K733 HydrophobicContact CB-CB 4.24Å; K709-K733 HydrophobicContact CG-CB 3.79Å; K709-K733 HydrophobicContact CG-CD 4.07Å; K709-K733 HydrophobicContact CG-CG 4.3Å; K709-K733 PolarHBondContact N-O 2.77Å |
| 710 | N | 95.3 | Very high | 89.7 | Confident | 6.66667 Ų | 6.66667 | 36.8 Ų | 36.8 | 4% | 0.036 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -122.5 | -169.7 | 168.7 | -83.5 | -82.2 | 0 | 0 | 0 | 108.2 | L683 N686 A687 I688 L707 G708 I712 K733 N734 | L683-N710 PolarHBondContact O-ND2 3.19Å; L683-N710 VanDerWaalsContact O-ND2 3.12Å; N686-N710 VanDerWaalsContact CA-OD1 3.26Å; N686-N710 WeakPolarHBondContact CA-OD1 3.44Å; N686-N710 WeakPolarHBondContact CB-OD1 3.4Å; N686-N710 PolarHBondContact N-OD1 3.24Å; N686-N710 PolarHBondContact O-OD1 3.26Å; A687-N710 PolarHBondContact N-OD1 3.05Å; I688-N710 HydrophobicContact CB-CB 4.13Å; I688-N710 VanDerWaalsContact CB-OD1 3.28Å; I688-N710 WeakPolarHBondContact CB-OD1 3.14Å; I688-N710 VanDerWaalsContact CG1-OD1 3.27Å; I688-N710 WeakPolarHBondContact CG1-OD1 3.22Å; I688-N710 PolarHBondContact N-OD1 3Å; L707-N710 WeakPolarHBondContact O-CB 3.12Å; L707-N710 PolarHBondContact O-ND2 3.21Å; G708-N710 PolarHBondContact O-N 2.74Å; G708-N710 PolarHBondContact O-ND2 2.84Å; N710-I712 HydrophobicContact CB-CD1 4.21Å; N710-I712 HydrophobicContact CB-CG1 4.03Å; N710-K733 PolarHBondContact N-O 2.95Å; N710-K733 VanDerWaalsContact N-O 3.16Å; N710-N734 VanDerWaalsContact CA-OD1 3.29Å; N710-N734 WeakPolarHBondContact CA-OD1 3.31Å; N710-N734 WeakPolarHBondContact CB-OD1 3.29Å; N710-N734 PolarHBondContact N-OD1 3.08Å; N710-N734 PolarHBondContact O-OD1 3.09Å; N710-N734 VanDerWaalsContact O-OD1 3.11Å |
| 711 | E | 94.9 | Very high | 89.3 | Confident | 86.6667 Ų | 86.6667 | 39.2 Ų | 39.2 | 41% | 0.405 | 19% | 0.186 | S | C | . | . | trans | -105.7 | 16.4 | -176 | -64.7 | -86.2 | 153.7 | 0 | 0 | 112.5 | I688 E689 E713 N734 K735 | I688-E711 CarbonylContact O-C 3.32Å; I688-E711 VanDerWaalsContact O-C 3.31Å; I688-E711 VanDerWaalsContact O-CA 3.31Å; I688-E711 WeakPolarHBondContact O-CA 3.24Å; I688-E711 PolarHBondContact O-N 2.79Å; E689-E711 HydrophobicContact CB-CB 4.47Å; E689-E711 HydrophobicContact CG-CB 4.21Å; E711-E713 WeakPolarHBondContact O-CG 3.41Å; E711-E713 PolarHBondContact O-N 3Å; E711-E713 VanDerWaalsContact O-N 3.13Å; E711-N734 PolarHBondContact N-OD1 3.46Å; E711-K735 HydrophobicContact CB-CD 4.46Å; E711-K735 VanDerWaalsContact O-CD 3.28Å; E711-K735 WeakPolarHBondContact O-CD 3.16Å; E711-K735 WeakPolarHBondContact O-CG 3.31Å; E711-K735 PolarHBondContact O-NZ 2.78Å; E711-K735 WeakPolarHBondContact OE2-CE 3.32Å; E711-K735 IonicContact OE2-NZ 3.39Å; E711-K735 PolarHBondContact OE2-NZ 3.02Å | ||
| 712 | I | 93.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -62.9 | 113.3 | -163.7 | -58.2 | 169.4 | 0 | 0 | 0 | 111.9 | I688 E689 L691 L707 N710 E714 V715 L731 N734 K735 L736 | I688-I712 HydrophobicContact CB-CG1 4.35Å; I688-I712 HydrophobicContact CG2-CD1 4.47Å; I688-I712 HydrophobicContact CG2-CG1 4.17Å; I688-I712 WeakPolarHBondContact O-CA 3.39Å; I688-I712 VanDerWaalsContact O-CG1 3.23Å; I688-I712 WeakPolarHBondContact O-CG1 3.36Å; I688-I712 PolarHBondContact O-N 3.28Å; I688-I712 VanDerWaalsContact O-N 3.08Å; E689-I712 CarbonylContact O-C 3.6Å; E689-I712 VanDerWaalsContact O-CA 3.25Å; E689-I712 WeakPolarHBondContact O-CA 3.48Å; L691-I712 HydrophobicContact CB-CG2 4.19Å; L691-I712 HydrophobicContact CD1-CD1 4.34Å; L691-I712 HydrophobicContact CD2-CD1 4.14Å; L691-I712 HydrophobicContact CG-CD1 4.13Å; L691-I712 HydrophobicContact CG-CG2 4.33Å; L707-I712 HydrophobicContact CB-CD1 3.97Å; L707-I712 HydrophobicContact CD1-CD1 4.5Å; L707-I712 HydrophobicContact CD2-CD1 4.32Å; N710-I712 HydrophobicContact CB-CD1 4.21Å; N710-I712 HydrophobicContact CB-CG1 4.03Å; I712-E714 WeakPolarHBondContact CG2-O 3.15Å; I712-V715 HydrophobicContact CG2-CG2 4.1Å; I712-L731 HydrophobicContact CD1-CD2 3.89Å; I712-N734 HydrophobicContact CB-CB 4.11Å; I712-N734 VanDerWaalsContact CB-OD1 3.26Å; I712-N734 WeakPolarHBondContact CB-OD1 3.43Å; I712-N734 VanDerWaalsContact CG1-OD1 3.27Å; I712-N734 WeakPolarHBondContact CG1-OD1 3.39Å; I712-N734 PolarHBondContact N-OD1 2.8Å; I712-K735 CarbonylContact O-C 3.45Å; I712-K735 WeakPolarHBondContact O-CA 3.39Å; I712-K735 WeakPolarHBondContact O-CB 3.34Å; I712-K735 PolarHBondContact O-N 2.86Å; I712-L736 HydrophobicContact CB-CD2 4.49Å; I712-L736 HydrophobicContact CG2-CD2 3.87Å; I712-L736 PolarHBondContact O-N 3.13Å; I712-L736 VanDerWaalsContact O-N 3.07Å | ||
| 713 | E | 90.8 | Very high | 88.6 | Confident | 107 Ų | 107 | 40.9 Ų | 40.9 | 50% | 0.5 | 20% | 0.197 | S | C | . | . | trans | -89.6 | -33.7 | 177.1 | -59.1 | -143.2 | 156 | 0 | 0 | 112.9 | E689 E711 K735 K759 | E689-E713 PolarHBondContact O-N 3.12Å; E711-E713 WeakPolarHBondContact O-CG 3.41Å; E711-E713 PolarHBondContact O-N 3Å; E711-E713 VanDerWaalsContact O-N 3.13Å; E713-K735 HydrophobicContact CG-CB 3.85Å; E713-K735 HydrophobicContact CG-CD 3.74Å; E713-K735 HydrophobicContact CG-CG 4.39Å; E713-K735 WeakPolarHBondContact OE1-CB 3.4Å; E713-K735 WeakPolarHBondContact OE1-CD 3.39Å; E713-K735 WeakPolarHBondContact OE1-CE 3.48Å; E713-K735 IonicContact OE1-NZ 3.5Å; E713-K735 PolarHBondContact OE1-NZ 3.31Å; E713-K735 VanDerWaalsContact OE1-NZ 3.08Å; E713-K759 IonicContact OE1-NZ 2.85Å; E713-K759 PolarHBondContact OE1-NZ 2.99Å | ||
| 714 | E | 85.5 | Confident | 88.3 | Confident | 70.6667 Ų | 70.6667 | 39 Ų | 39 | 33% | 0.33 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 146.2 | -178.4 | -177 | 169.7 | -149.8 | 0 | 0 | 112.7 | S690 L691 I712 L716 R743 R1469 R1471 | S690-E714 CarbonylContact C-O 3.13Å; S690-E714 VanDerWaalsContact CA-O 3.32Å; S690-E714 WeakPolarHBondContact CA-O 3.34Å; L691-E714 PolarHBondContact N-O 2.98Å; I712-E714 WeakPolarHBondContact CG2-O 3.15Å; E714-L716 VanDerWaalsContact CD-CD2 3.47Å; E714-L716 HydrophobicContact CG-CD2 4.06Å; E714-L716 HydrophobicContact CG-CG 4.09Å; E714-L716 WeakPolarHBondContact OE1-CD2 3.29Å; E714-R743 VanDerWaalsContact CG-NH1 3.3Å; E714-R743 IonicContact OE1-CZ 3.44Å; E714-R743 VanDerWaalsContact OE1-CZ 3.25Å; E714-R743 IonicContact OE1-NH1 3.48Å; E714-R743 PolarHBondContact OE1-NH1 2.97Å; E714-R743 IonicContact OE1-NH2 2.87Å; E714-R743 PolarHBondContact OE1-NH2 3.09Å; E714-R1469 IonicContact OE2-CZ 2.69Å; E714-R1469 IonicContact OE2-NH2 3.64Å; E714-R1469 PolarHBondContact OE2-NH2 3.05Å; E714-R1471 IonicContact OE2-NH2 3.27Å |
| 715 | V | 86.7 | Confident | 88.1 | Confident | 7.66667 Ų | 7.66667 | 41.7 Ų | 41.7 | 5% | 0.046 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 113.4 | 169.2 | -179.9 | 0 | 0 | 0 | 0 | 109 | L691 I712 A719 F720 L731 L736 R743 F744 | L691-V715 HydrophobicContact CB-CB 4.29Å; L691-V715 HydrophobicContact CB-CG1 4.09Å; L691-V715 HydrophobicContact CB-CG2 4.13Å; L691-V715 HydrophobicContact CD1-CB 4.36Å; L691-V715 HydrophobicContact CD1-CG1 4.05Å; L691-V715 HydrophobicContact CD1-CG2 3.93Å; L691-V715 HydrophobicContact CG-CG1 4.49Å; L691-V715 HydrophobicContact CG-CG2 4.04Å; L691-V715 CarbonylContact O-C 3.5Å; L691-V715 WeakPolarHBondContact O-CA 2.8Å; I712-V715 HydrophobicContact CG2-CG2 4.1Å; V715-A719 HydrophobicContact CG1-CB 4.25Å; V715-F720 HydrophobicContact CG1-CE2 3.91Å; V715-F720 HydrophobicContact CG1-CZ 4.42Å; V715-L731 HydrophobicContact CG2-CD1 3.95Å; V715-L736 HydrophobicContact CG2-CD1 4.3Å; V715-L736 HydrophobicContact CG2-CD2 4.06Å; V715-R743 WeakPolarHBondContact O-CD 3.44Å; V715-R743 WeakPolarHBondContact O-CG 3.25Å; V715-R743 PolarHBondContact O-NE 2.6Å; V715-R743 PolarHBondContact O-NH1 2.97Å; V715-F744 HydrophobicContact CG1-CE1 4.26Å; V715-F744 HydrophobicContact CG1-CZ 4.42Å |
| 716 | L | 81.6 | Confident | 88 | Confident | 34.3333 Ų | 34.3333 | 41.8 Ų | 41.8 | 18% | 0.18 | 21% | 0.207 | C | C | . | . | trans | -80.9 | 156.9 | -173.2 | -70.5 | 179.7 | 0 | 0 | 0 | 114.4 | L691 P692 N693 E714 L718 A719 I1440 E1467 R1469 | L691-L716 PolarHBondContact O-N 2.99Å; P692-L716 HydrophobicContact CB-CD1 4.31Å; N693-L716 VanDerWaalsContact OD1-CB 3.26Å; N693-L716 WeakPolarHBondContact OD1-CB 3.27Å; E714-L716 VanDerWaalsContact CD-CD2 3.47Å; E714-L716 HydrophobicContact CG-CD2 4.06Å; E714-L716 HydrophobicContact CG-CG 4.09Å; E714-L716 WeakPolarHBondContact OE1-CD2 3.29Å; L716-L718 PolarHBondContact O-N 2.97Å; L716-A719 VanDerWaalsContact O-CB 3.23Å; L716-A719 WeakPolarHBondContact O-CB 3.31Å; L716-A719 PolarHBondContact O-N 2.82Å; L716-I1440 HydrophobicContact CD1-CD1 3.35Å; L716-E1467 VanDerWaalsContact CD1-OE2 3.29Å; L716-E1467 WeakPolarHBondContact CD1-OE2 3.26Å; L716-R1469 VanDerWaalsContact CD1-NH2 3.29Å | ||
| 717 | P | 67 | Low | 87.8 | Confident | 53 Ų | 53 | 41.1 Ų | 41.1 | 34% | 0.344 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -31.8 | -167.7 | -22.6 | 31.3 | 0 | 0 | 0 | 116.4 | A719 R743 | P717-A719 PolarHBondContact O-N 2.87Å; P717-R743 HydrophobicContact CB-CG 4.01Å; P717-R743 HydrophobicContact CG-CG 3.86Å |
| 718 | L | 78 | Confident | 87.7 | Confident | 81 Ų | 81 | 41.8 Ų | 41.8 | 42% | 0.424 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 23.2 | 175.3 | -61.4 | 175.8 | 0 | 0 | 0 | 111.2 | N693 L694 L716 F720 M721 | N693-L718 CarbonylContact C-O 3.37Å; N693-L718 WeakPolarHBondContact CA-O 3.08Å; N693-L718 HydrophobicContact CB-CB 4.26Å; N693-L718 VanDerWaalsContact OD1-C 3.24Å; N693-L718 WeakPolarHBondContact OD1-CA 3.32Å; N693-L718 WeakPolarHBondContact OD1-CB 3.24Å; N693-L718 PolarHBondContact OD1-N 2.86Å; L694-L718 VanDerWaalsContact CA-O 3.24Å; L694-L718 WeakPolarHBondContact CA-O 3.27Å; L694-L718 WeakPolarHBondContact CB-O 3.36Å; L694-L718 HydrophobicContact CD2-CB 4.32Å; L694-L718 PolarHBondContact N-O 3.13Å; L716-L718 PolarHBondContact O-N 2.97Å; L718-F720 CarbonylContact C-O 3.36Å; L718-F720 PolarHBondContact O-N 2.93Å; L718-F720 VanDerWaalsContact O-N 3.08Å; L718-M721 HydrophobicContact CD2-CE 4.49Å |
| 719 | A | 83.3 | Confident | 87.6 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -54.2 | -43.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | L691 P692 L694 Q695 F696 V715 L716 P717 A1435 | L691-A719 HydrophobicContact CB-CB 4.22Å; P692-A719 VanDerWaalsContact O-CA 3.26Å; P692-A719 WeakPolarHBondContact O-CA 3.39Å; P692-A719 VanDerWaalsContact O-CB 3.25Å; P692-A719 WeakPolarHBondContact O-CB 3.06Å; L694-A719 VanDerWaalsContact CB-O 3.26Å; L694-A719 WeakPolarHBondContact CB-O 2.86Å; L694-A719 PolarHBondContact N-O 3.03Å; Q695-A719 PolarHBondContact N-O 3.12Å; F696-A719 PolarHBondContact N-O 3.12Å; V715-A719 HydrophobicContact CG1-CB 4.25Å; L716-A719 VanDerWaalsContact O-CB 3.23Å; L716-A719 WeakPolarHBondContact O-CB 3.31Å; L716-A719 PolarHBondContact O-N 2.82Å; P717-A719 PolarHBondContact O-N 2.87Å; A719-A1435 HydrophobicContact CB-CB 3.93Å; A719-A1435 CarbonylContact O-C 3.03Å; A719-A1435 WeakPolarHBondContact O-CA 3.45Å; A719-A1435 WeakPolarHBondContact O-CB 3.44Å |
| 720 | F | 85.5 | Confident | 87.5 | Confident | 2.33333 Ų | 2.33333 | 38.1 Ų | 38.1 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 126 | 177 | -44.7 | -85.3 | 0 | 0 | 0 | 110.1 | L691 F696 L705 V715 L718 V723 L729 L746 F747 A1435 | L691-F720 HydrophobicContact CD1-CE1 4.46Å; L691-F720 HydrophobicContact CD1-CE2 4.43Å; L691-F720 HydrophobicContact CD1-CZ 4.03Å; F696-F720 HydrophobicContact CB-CD1 3.92Å; F696-F720 HydrophobicContact CB-CE1 4.44Å; F696-F720 AromaticContact CD2-CD1 3.74Å; F696-F720 HydrophobicContact CD2-CD1 3.74Å; F696-F720 AromaticContact CD2-CE1 3.43Å; F696-F720 HydrophobicContact CD2-CE1 3.43Å; F696-F720 VanDerWaalsContact CD2-CE1 3.43Å; F696-F720 HydrophobicContact CD2-CZ 4.38Å; F696-F720 AromaticContact CE2-CE1 3.95Å; F696-F720 HydrophobicContact CE2-CE1 3.95Å; F696-F720 HydrophobicContact CG-CD1 4.15Å; F696-F720 HydrophobicContact CG-CE1 4.17Å; F696-F720 CarbonylContact O-C 3.31Å; F696-F720 WeakPolarHBondContact O-CA 3.11Å; L705-F720 HydrophobicContact CD2-CE1 3.66Å; L705-F720 HydrophobicContact CD2-CZ 4.39Å; V715-F720 HydrophobicContact CG1-CE2 3.91Å; V715-F720 HydrophobicContact CG1-CZ 4.42Å; L718-F720 CarbonylContact C-O 3.36Å; L718-F720 PolarHBondContact O-N 2.93Å; L718-F720 VanDerWaalsContact O-N 3.08Å; F720-V723 HydrophobicContact CB-CG2 4.18Å; F720-V723 HydrophobicContact CD1-CG2 4.43Å; F720-L729 HydrophobicContact CZ-CD1 4.46Å; F720-L729 HydrophobicContact CZ-CD2 4.4Å; F720-L746 VanDerWaalsContact O-CD1 3.23Å; F720-L746 WeakPolarHBondContact O-CD1 3.15Å; F720-F747 HydrophobicContact CB-CE1 3.84Å; F720-F747 HydrophobicContact CB-CZ 3.78Å; F720-F747 HydrophobicContact CD1-CE1 4.2Å; F720-F747 AromaticContact CD1-CZ 3.7Å; F720-F747 HydrophobicContact CD1-CZ 3.7Å; F720-F747 HydrophobicContact CD2-CE1 4.19Å; F720-F747 AromaticContact CD2-CE2 3.8Å; F720-F747 HydrophobicContact CD2-CE2 3.96Å; F720-F747 AromaticContact CD2-CZ 3.4Å; F720-F747 HydrophobicContact CD2-CZ 3.4Å; F720-F747 VanDerWaalsContact CD2-CZ 3.46Å; F720-F747 HydrophobicContact CE1-CZ 4.11Å; F720-F747 AromaticContact CE2-CE2 3.96Å; F720-F747 HydrophobicContact CE2-CE2 4.16Å; F720-F747 AromaticContact CE2-CZ 3.82Å; F720-F747 HydrophobicContact CE2-CZ 3.82Å; F720-F747 AromaticContact CG-CE1 3.78Å; F720-F747 HydrophobicContact CG-CE1 3.87Å; F720-F747 HydrophobicContact CG-CE2 4.16Å; F720-F747 AromaticContact CG-CZ 3.33Å; F720-F747 HydrophobicContact CG-CZ 3.33Å; F720-F747 VanDerWaalsContact CG-CZ 3.45Å; F720-F747 HydrophobicContact CZ-CZ 4.16Å; F720-A1435 WeakPolarHBondContact CA-O 3.19Å; F720-A1435 HydrophobicContact CB-CB 4.08Å; F720-A1435 HydrophobicContact CD1-CB 3.13Å; F720-A1435 HydrophobicContact CD2-CB 4.26Å; F720-A1435 HydrophobicContact CE1-CB 3.55Å; F720-A1435 HydrophobicContact CG-CB 3.54Å; F720-A1435 HydrophobicContact CZ-CB 4.28Å |
| 721 | M | 83.7 | Confident | 87.5 | Confident | 74.3333 Ų | 74.3333 | 37.8 Ų | 37.8 | 37% | 0.366 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 142 | 168.4 | 170.1 | -179 | -69.3 | 0 | 0 | 108.8 | L694 F696 M697 N698 L718 V723 | L694-M721 HydrophobicContact CD2-CB 4.2Å; L694-M721 HydrophobicContact CD2-CE 3.56Å; L694-M721 VanDerWaalsContact CD2-CE 3.48Å; L694-M721 HydrophobicContact CD2-SD 3.98Å; F696-M721 PolarHBondContact O-N 3.14Å; M697-M721 CarbonylContact C-O 3.18Å; M697-M721 VanDerWaalsContact CA-O 3.25Å; M697-M721 WeakPolarHBondContact CA-O 3.37Å; M697-M721 HydrophobicContact CB-CB 4.4Å; M697-M721 WeakPolarHBondContact CB-O 3.32Å; M697-M721 HydrophobicContact CE-CB 3.52Å; M697-M721 HydrophobicContact CE-CG 3.53Å; M697-M721 HydrophobicContact CE-SD 3.67Å; M697-M721 WeakPolarHBondContact CE-SD 3.35Å; M697-M721 HydrophobicContact CG-CB 4.11Å; M697-M721 HydrophobicContact CG-CG 4.09Å; M697-M721 WeakPolarHBondContact CG-O 3.09Å; M697-M721 HydrophobicContact CG-SD 4.08Å; M697-M721 HydrophobicContact SD-CB 3.41Å; M697-M721 WeakPolarHBondContact SD-CB 3.33Å; M697-M721 HydrophobicContact SD-CG 4.1Å; M697-M721 PolarHBondContact SD-N 3.43Å; M697-M721 HydrophobicContact SD-SD 3.97Å; N698-M721 PolarHBondContact N-O 3.28Å; L718-M721 HydrophobicContact CD2-CE 4.49Å; M721-V723 VanDerWaalsContact C-N 3.3Å; M721-V723 PolarHBondContact O-N 2.76Å |
| 722 | N | 82.9 | Confident | 87.4 | Confident | 79.6667 Ų | 79.6667 | 34.6 Ų | 34.6 | 43% | 0.426 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 39.4 | 62.1 | -179.1 | -168.3 | 24.2 | 0 | 0 | 0 | 115.3 | M697 N698 M699 P724 | M697-N722 HydrophobicContact CG-CB 4.23Å; N698-N722 WeakPolarHBondContact CA-O 3.15Å; N698-N722 PolarHBondContact N-O 2.91Å; N698-N722 WeakPolarHBondContact OD1-CB 3.22Å; N698-N722 PolarHBondContact OD1-ND2 3.21Å; M699-N722 PolarHBondContact N-O 3.11Å; M699-N722 VanDerWaalsContact N-O 3.12Å; N722-P724 VanDerWaalsContact C-CD 3.44Å; N722-P724 WeakPolarHBondContact OD1-CD 3.35Å |
| 723 | V | 88.4 | Confident | 87.5 | Confident | 4.66667 Ų | 4.66667 | 40.2 Ų | 40.2 | 3% | 0.028 | 21% | 0.205 | C | C | . | . | trans | -127.3 | 56.7 | 169.6 | -138.2 | 0 | 0 | 0 | 0 | 109.3 | F696 M697 M699 L702 F720 M721 K725 L726 F747 | F696-V723 HydrophobicContact CB-CG2 4.45Å; M697-V723 HydrophobicContact CB-CG2 3.28Å; M699-V723 HydrophobicContact CB-CG1 4.28Å; M699-V723 HydrophobicContact CB-CG2 4.44Å; L702-V723 HydrophobicContact CB-CG1 3.86Å; L702-V723 HydrophobicContact CD2-CB 4.48Å; L702-V723 HydrophobicContact CD2-CG1 4.06Å; L702-V723 HydrophobicContact CG-CG1 4.25Å; F720-V723 HydrophobicContact CB-CG2 4.18Å; F720-V723 HydrophobicContact CD1-CG2 4.43Å; M721-V723 VanDerWaalsContact C-N 3.3Å; M721-V723 PolarHBondContact O-N 2.76Å; V723-K725 VanDerWaalsContact C-N 3.29Å; V723-K725 PolarHBondContact O-N 3.14Å; V723-K725 VanDerWaalsContact O-N 3.12Å; V723-L726 HydrophobicContact CG1-CB 4.2Å; V723-L726 HydrophobicContact CG1-CD1 4.5Å; V723-L726 PolarHBondContact O-N 3.12Å; V723-F747 HydrophobicContact CB-CE1 4.24Å; V723-F747 HydrophobicContact CG1-CE1 4.3Å; V723-F747 HydrophobicContact CG2-CD1 4.4Å; V723-F747 HydrophobicContact CG2-CE1 3.85Å | ||
| 724 | P | 86.5 | Confident | 87.6 | Confident | 50.3333 Ų | 50.3333 | 35.6 Ų | 35.6 | 33% | 0.327 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -18.7 | -165.9 | 26.1 | -37.1 | 0 | 0 | 0 | 114.9 | P700 N722 N749 | P700-P724 HydrophobicContact CB-CG 4.28Å; N722-P724 VanDerWaalsContact C-CD 3.44Å; N722-P724 WeakPolarHBondContact OD1-CD 3.35Å; P724-N749 PolarHBondContact O-ND2 2.87Å |
| 725 | K | 90.7 | Very high | 88 | Confident | 69 Ų | 69 | 34.6 Ų | 34.6 | 30% | 0.3 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 13.7 | -174.6 | -63.4 | -170.2 | -165.4 | 175.7 | 0 | 114.6 | P700 E701 L702 R703 V723 E727 | P700-K725 VanDerWaalsContact O-CD 3.27Å; P700-K725 WeakPolarHBondContact O-CD 3.34Å; P700-K725 WeakPolarHBondContact O-CE 3.38Å; P700-K725 VanDerWaalsContact O-CG 3.25Å; P700-K725 WeakPolarHBondContact O-CG 3.37Å; E701-K725 IonicContact OE1-NZ 3.15Å; E701-K725 PolarHBondContact OE1-NZ 3.13Å; E701-K725 WeakPolarHBondContact OE2-CD 3.32Å; E701-K725 IonicContact OE2-NZ 3.07Å; E701-K725 PolarHBondContact OE2-NZ 3.01Å; L702-K725 CarbonylContact O-C 3.39Å; L702-K725 VanDerWaalsContact O-O 3.11Å; R703-K725 WeakPolarHBondContact CA-O 3.2Å; R703-K725 HydrophobicContact CG-CB 4.41Å; R703-K725 VanDerWaalsContact CG-O 3.31Å; R703-K725 WeakPolarHBondContact CG-O 3.28Å; V723-K725 VanDerWaalsContact C-N 3.29Å; V723-K725 PolarHBondContact O-N 3.14Å; V723-K725 VanDerWaalsContact O-N 3.12Å; K725-E727 WeakPolarHBondContact O-CG 3.42Å; K725-E727 PolarHBondContact O-N 2.9Å |
| 726 | L | 91.3 | Very high | 88.3 | Confident | 0.333333 Ų | 0.333333 | 34.6 Ų | 34.6 | 0% | 0.002 | 18% | 0.178 | C | C | . | . | trans | -64.1 | 118.9 | 179.5 | -165.3 | 70.5 | 0 | 0 | 0 | 110.4 | L702 L705 V723 S728 L729 F747 N749 L750 | L702-L726 HydrophobicContact CD2-CD1 4.15Å; L702-L726 HydrophobicContact CG-CD1 3.99Å; L702-L726 VanDerWaalsContact O-CA 3.27Å; L702-L726 WeakPolarHBondContact O-CA 3.23Å; L702-L726 PolarHBondContact O-N 3.34Å; L702-L726 VanDerWaalsContact O-N 3.1Å; L705-L726 HydrophobicContact CB-CD1 3.91Å; V723-L726 HydrophobicContact CG1-CB 4.2Å; V723-L726 HydrophobicContact CG1-CD1 4.5Å; V723-L726 PolarHBondContact O-N 3.12Å; L726-S728 WeakPolarHBondContact CD1-O 3.42Å; L726-L729 HydrophobicContact CD2-CB 4.21Å; L726-F747 HydrophobicContact CB-CD1 3.89Å; L726-F747 HydrophobicContact CB-CE1 4.07Å; L726-F747 HydrophobicContact CB-CG 4.26Å; L726-F747 HydrophobicContact CD2-CD1 3.86Å; L726-F747 HydrophobicContact CD2-CD2 4.26Å; L726-F747 HydrophobicContact CD2-CE1 3.43Å; L726-F747 VanDerWaalsContact CD2-CE1 3.43Å; L726-F747 HydrophobicContact CD2-CE2 3.87Å; L726-F747 HydrophobicContact CD2-CG 4.23Å; L726-F747 HydrophobicContact CD2-CZ 3.4Å; L726-F747 VanDerWaalsContact CD2-CZ 3.49Å; L726-F747 HydrophobicContact CG-CD1 4.36Å; L726-F747 HydrophobicContact CG-CE1 4.28Å; L726-N749 CarbonylContact O-C 3.07Å; L726-L750 HydrophobicContact CD2-CD1 4.18Å; L726-L750 HydrophobicContact CG-CD1 4.11Å; L726-L750 VanDerWaalsContact O-CA 3.27Å; L726-L750 WeakPolarHBondContact O-CA 3.41Å; L726-L750 PolarHBondContact O-N 3.24Å | ||
| 727 | E | 92.7 | Very high | 88.6 | Confident | 34.6667 Ų | 34.6667 | 36.2 Ų | 36.2 | 16% | 0.162 | 19% | 0.19 | C | C | . | . | trans | -106.1 | -28.4 | -177.7 | -63 | -178.9 | -144.9 | 0 | 0 | 112 | R703 K725 Q751 L752 R1283 | R703-E727 HydrophobicContact CB-CB 4.42Å; R703-E727 HydrophobicContact CB-CG 4.27Å; R703-E727 WeakPolarHBondContact CD-OE1 3.3Å; R703-E727 HydrophobicContact CG-CG 4.21Å; R703-E727 WeakPolarHBondContact CG-OE1 3.43Å; R703-E727 IonicContact CZ-OE1 3.03Å; R703-E727 IonicContact NE-OE1 3.32Å; R703-E727 IonicContact NH1-OE1 2.85Å; R703-E727 PolarHBondContact NH1-OE1 3.13Å; R703-E727 CarbonylContact O-C 3.14Å; R703-E727 WeakPolarHBondContact O-CA 3.21Å; R703-E727 WeakPolarHBondContact O-CB 3.36Å; R703-E727 PolarHBondContact O-N 3.15Å; K725-E727 WeakPolarHBondContact O-CG 3.42Å; K725-E727 PolarHBondContact O-N 2.9Å; E727-Q751 VanDerWaalsContact CG-NE2 3.3Å; E727-Q751 CarbonylContact O-C 2.85Å; E727-Q751 WeakPolarHBondContact O-CA 3.2Å; E727-Q751 WeakPolarHBondContact O-CB 3.14Å; E727-Q751 PolarHBondContact O-N 2.81Å; E727-Q751 PolarHBondContact OE2-NE2 3.31Å; E727-L752 PolarHBondContact O-N 3.33Å; E727-L752 VanDerWaalsContact O-N 3.09Å; E727-R1283 IonicContact OE1-CZ 3.92Å; E727-R1283 IonicContact OE1-NH1 2.95Å; E727-R1283 PolarHBondContact OE1-NH1 3.28Å; E727-R1283 IonicContact OE1-NH2 2.84Å; E727-R1283 PolarHBondContact OE1-NH2 2.96Å; E727-R1283 IonicContact OE2-CZ 3.22Å; E727-R1283 VanDerWaalsContact OE2-CZ 3.24Å; E727-R1283 IonicContact OE2-NH1 3.44Å; E727-R1283 PolarHBondContact OE2-NH1 2.89Å; E727-R1283 IonicContact OE2-NH2 3.93Å; E727-R1283 PolarHBondContact OE2-NH2 2.77Å | ||
| 728 | S | 93.2 | Very high | 89.4 | Confident | 15.6667 Ų | 15.6667 | 37.8 Ų | 37.8 | 11% | 0.11 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 126.9 | -175 | 165.3 | 0 | 0 | 0 | 0 | 110.5 | R703 D704 L705 L726 L752 | R703-S728 PolarHBondContact O-N 2.94Å; D704-S728 VanDerWaalsContact OD1-CB 3.24Å; D704-S728 WeakPolarHBondContact OD1-CB 3.28Å; D704-S728 PolarHBondContact OD1-OG 3.07Å; L705-S728 PolarHBondContact N-O 2.97Å; L726-S728 WeakPolarHBondContact CD1-O 3.42Å; S728-L752 WeakPolarHBondContact CA-O 3.29Å |
| 729 | L | 93 | Very high | 89.2 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 112.3 | 172.5 | -179.7 | 57.3 | 0 | 0 | 0 | 110.2 | L705 F720 L726 L731 F744 F747 L750 L752 L753 D754 | L705-L729 HydrophobicContact CB-CD1 4.22Å; L705-L729 HydrophobicContact CD2-CD1 4Å; L705-L729 HydrophobicContact CG-CD1 4.11Å; L705-L729 WeakPolarHBondContact O-CA 3.3Å; F720-L729 HydrophobicContact CZ-CD1 4.46Å; F720-L729 HydrophobicContact CZ-CD2 4.4Å; L726-L729 HydrophobicContact CD2-CB 4.21Å; L729-L731 HydrophobicContact CD1-CD1 4.42Å; L729-L731 HydrophobicContact CD1-CG 4.28Å; L729-L731 HydrophobicContact CD2-CD1 4.04Å; L729-L731 HydrophobicContact CG-CD1 4.1Å; L729-L731 HydrophobicContact CG-CG 4.25Å; L729-F744 HydrophobicContact CD2-CD1 4.2Å; L729-F744 HydrophobicContact CD2-CE1 3.91Å; L729-F747 HydrophobicContact CD2-CE2 4.09Å; L729-F747 HydrophobicContact CD2-CZ 4.41Å; L729-L750 HydrophobicContact CB-CD1 3.98Å; L729-L752 PolarHBondContact N-O 3.16Å; L729-L753 HydrophobicContact CB-CD1 4.18Å; L729-L753 HydrophobicContact CD2-CD1 4.08Å; L729-L753 HydrophobicContact CG-CD1 4.19Å; L729-D754 PolarHBondContact O-N 3.23Å |
| 730 | N | 93.7 | Very high | 88.6 | Confident | 21.6667 Ų | 21.6667 | 39.1 Ų | 39.1 | 12% | 0.116 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 115.2 | 176 | -173.3 | -62.2 | 0 | 0 | 0 | 110.9 | L705 R706 L707 G708 T732 D754 L1276 | L705-N730 PolarHBondContact O-N 3.01Å; R706-N730 HydrophobicContact CB-CB 4.37Å; R706-N730 HydrophobicContact CG-CB 4.45Å; L707-N730 CarbonylContact C-O 3.19Å; L707-N730 WeakPolarHBondContact CA-O 3.37Å; L707-N730 PolarHBondContact N-O 3.19Å; G708-N730 VanDerWaalsContact CA-OD1 3.31Å; G708-N730 WeakPolarHBondContact CA-OD1 3.15Å; G708-N730 PolarHBondContact N-O 3.12Å; N730-T732 WeakPolarHBondContact ND2-CG2 3.38Å; N730-T732 WeakPolarHBondContact OD1-CB 3.29Å; N730-T732 VanDerWaalsContact OD1-CG2 3.3Å; N730-T732 WeakPolarHBondContact OD1-CG2 3.41Å; N730-T732 PolarHBondContact OD1-N 3.19Å; N730-T732 VanDerWaalsContact OD1-N 3.16Å; N730-T732 PolarHBondContact OD1-OG1 2.89Å; N730-D754 PolarHBondContact ND2-OD2 3.16Å; N730-L1276 HydrophobicContact CB-CD1 4.22Å |
| 731 | L | 93.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -119.7 | 27 | 176.1 | -72.8 | 164.8 | 0 | 0 | 0 | 111 | L691 L707 I712 V715 L729 N734 L736 F744 D754 L755 N758 | L691-L731 HydrophobicContact CD1-CD2 4.17Å; L691-L731 HydrophobicContact CG-CD2 4.34Å; L707-L731 HydrophobicContact CB-CD2 3.96Å; L707-L731 HydrophobicContact CD1-CD2 4.17Å; I712-L731 HydrophobicContact CD1-CD2 3.89Å; V715-L731 HydrophobicContact CG2-CD1 3.95Å; L729-L731 HydrophobicContact CD1-CD1 4.42Å; L729-L731 HydrophobicContact CD1-CG 4.28Å; L729-L731 HydrophobicContact CD2-CD1 4.04Å; L729-L731 HydrophobicContact CG-CD1 4.1Å; L729-L731 HydrophobicContact CG-CG 4.25Å; L731-N734 PolarHBondContact O-ND2 3.21Å; L731-L736 HydrophobicContact CB-CD1 4.34Å; L731-L736 HydrophobicContact CD1-CD1 4.38Å; L731-F744 HydrophobicContact CD1-CE1 4.21Å; L731-F744 HydrophobicContact CD1-CZ 4.25Å; L731-D754 CarbonylContact C-O 3.32Å; L731-D754 WeakPolarHBondContact CA-O 3.31Å; L731-D754 PolarHBondContact N-O 3.29Å; L731-L755 HydrophobicContact CB-CD2 4.05Å; L731-L755 HydrophobicContact CD1-CD2 3.97Å; L731-N758 PolarHBondContact O-ND2 3.06Å | ||
| 732 | T | 93.9 | Very high | 86.4 | Confident | 20 Ų | 20 | 38.8 Ų | 38.8 | 12% | 0.123 | 21% | 0.208 | C | C | . | . | trans | -56.9 | 151.7 | -178.7 | 54.4 | 0 | 0 | 0 | 0 | 113.2 | G708 K709 N730 N734 D754 S756 | G708-T732 CarbonylContact C-O 3.49Å; G708-T732 WeakPolarHBondContact CA-O 3.36Å; G708-T732 VanDerWaalsContact CA-OG1 3.24Å; G708-T732 WeakPolarHBondContact CA-OG1 3.22Å; K709-T732 PolarHBondContact N-O 3.07Å; N730-T732 WeakPolarHBondContact ND2-CG2 3.38Å; N730-T732 WeakPolarHBondContact OD1-CB 3.29Å; N730-T732 VanDerWaalsContact OD1-CG2 3.3Å; N730-T732 WeakPolarHBondContact OD1-CG2 3.41Å; N730-T732 PolarHBondContact OD1-N 3.19Å; N730-T732 VanDerWaalsContact OD1-N 3.16Å; N730-T732 PolarHBondContact OD1-OG1 2.89Å; T732-N734 VanDerWaalsContact C-N 3.27Å; T732-N734 PolarHBondContact O-N 3.05Å; T732-N734 VanDerWaalsContact O-N 3.1Å; T732-N734 PolarHBondContact O-ND2 2.8Å; T732-D754 HydrophobicContact CG2-CB 4.14Å; T732-D754 VanDerWaalsContact CG2-OD1 3.24Å; T732-D754 WeakPolarHBondContact CG2-OD1 3.29Å; T732-D754 WeakPolarHBondContact CG2-OD2 3.28Å; T732-D754 PolarHBondContact N-O 2.96Å; T732-S756 CarbonylContact C-O 3.37Å; T732-S756 VanDerWaalsContact CA-O 3.24Å; T732-S756 WeakPolarHBondContact CA-O 3.41Å; T732-S756 WeakPolarHBondContact CG2-OG 3.28Å | ||
| 733 | K | 94.7 | Very high | 85.4 | Confident | 117.667 Ų | 117.667 | 36.2 Ų | 36.2 | 51% | 0.512 | 19% | 0.192 | S | C | . | . | S | Bend | trans | 52.7 | 48.6 | 167.6 | -67.5 | -177.3 | 179.5 | -168.3 | 0 | 112.4 | K709 N710 S756 S757 | K709-K733 VanDerWaalsContact CA-O 3.26Å; K709-K733 WeakPolarHBondContact CA-O 3.31Å; K709-K733 HydrophobicContact CB-CB 4.24Å; K709-K733 HydrophobicContact CG-CB 3.79Å; K709-K733 HydrophobicContact CG-CD 4.07Å; K709-K733 HydrophobicContact CG-CG 4.3Å; K709-K733 PolarHBondContact N-O 2.77Å; N710-K733 PolarHBondContact N-O 2.95Å; N710-K733 VanDerWaalsContact N-O 3.16Å; K733-S756 PolarHBondContact N-O 3.23Å; K733-S757 VanDerWaalsContact CA-O 3.27Å; K733-S757 WeakPolarHBondContact CA-O 3.42Å; K733-S757 VanDerWaalsContact CE-OG 3.25Å; K733-S757 WeakPolarHBondContact CE-OG 3.22Å; K733-S757 PolarHBondContact N-O 2.74Å |
| 734 | N | 94.2 | Very high | 84.5 | Confident | 10.3333 Ų | 10.3333 | 36.4 Ų | 36.4 | 6% | 0.055 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -117.4 | -168.2 | 176 | -83.4 | -72.7 | 0 | 0 | 0 | 109.4 | L707 N710 E711 I712 L731 T732 L736 S757 N758 | L707-N734 PolarHBondContact O-ND2 3.28Å; N710-N734 VanDerWaalsContact CA-OD1 3.29Å; N710-N734 WeakPolarHBondContact CA-OD1 3.31Å; N710-N734 WeakPolarHBondContact CB-OD1 3.29Å; N710-N734 PolarHBondContact N-OD1 3.08Å; N710-N734 PolarHBondContact O-OD1 3.09Å; N710-N734 VanDerWaalsContact O-OD1 3.11Å; E711-N734 PolarHBondContact N-OD1 3.46Å; I712-N734 HydrophobicContact CB-CB 4.11Å; I712-N734 VanDerWaalsContact CB-OD1 3.26Å; I712-N734 WeakPolarHBondContact CB-OD1 3.43Å; I712-N734 VanDerWaalsContact CG1-OD1 3.27Å; I712-N734 WeakPolarHBondContact CG1-OD1 3.39Å; I712-N734 PolarHBondContact N-OD1 2.8Å; L731-N734 PolarHBondContact O-ND2 3.21Å; T732-N734 VanDerWaalsContact C-N 3.27Å; T732-N734 PolarHBondContact O-N 3.05Å; T732-N734 VanDerWaalsContact O-N 3.1Å; T732-N734 PolarHBondContact O-ND2 2.8Å; N734-L736 HydrophobicContact CB-CG 4.43Å; N734-S757 PolarHBondContact N-O 2.97Å; N734-S757 VanDerWaalsContact N-O 3.15Å; N734-N758 WeakPolarHBondContact CA-OD1 3.23Å; N734-N758 WeakPolarHBondContact CB-OD1 3.36Å; N734-N758 PolarHBondContact N-OD1 2.96Å; N734-N758 PolarHBondContact O-OD1 2.99Å |
| 735 | K | 94.1 | Very high | 83.3 | Confident | 49 Ų | 49 | 38.6 Ų | 38.6 | 21% | 0.213 | 20% | 0.199 | C | C | . | . | trans | -109.8 | 6.8 | -174.7 | -67.7 | -174.4 | -168.3 | 144.9 | 0 | 114.4 | E711 I712 E713 T737 N758 K759 | E711-K735 HydrophobicContact CB-CD 4.46Å; E711-K735 VanDerWaalsContact O-CD 3.28Å; E711-K735 WeakPolarHBondContact O-CD 3.16Å; E711-K735 WeakPolarHBondContact O-CG 3.31Å; E711-K735 PolarHBondContact O-NZ 2.78Å; E711-K735 WeakPolarHBondContact OE2-CE 3.32Å; E711-K735 IonicContact OE2-NZ 3.39Å; E711-K735 PolarHBondContact OE2-NZ 3.02Å; I712-K735 CarbonylContact O-C 3.45Å; I712-K735 WeakPolarHBondContact O-CA 3.39Å; I712-K735 WeakPolarHBondContact O-CB 3.34Å; I712-K735 PolarHBondContact O-N 2.86Å; E713-K735 HydrophobicContact CG-CB 3.85Å; E713-K735 HydrophobicContact CG-CD 3.74Å; E713-K735 HydrophobicContact CG-CG 4.39Å; E713-K735 WeakPolarHBondContact OE1-CB 3.4Å; E713-K735 WeakPolarHBondContact OE1-CD 3.39Å; E713-K735 WeakPolarHBondContact OE1-CE 3.48Å; E713-K735 IonicContact OE1-NZ 3.5Å; E713-K735 PolarHBondContact OE1-NZ 3.31Å; E713-K735 VanDerWaalsContact OE1-NZ 3.08Å; K735-T737 WeakPolarHBondContact O-CG2 3.4Å; K735-T737 PolarHBondContact O-N 3.28Å; K735-N758 PolarHBondContact N-OD1 3.34Å; K735-K759 HydrophobicContact CB-CD 4.47Å; K735-K759 VanDerWaalsContact O-CD 3.29Å; K735-K759 WeakPolarHBondContact O-CD 3.26Å | ||
| 736 | L | 91.6 | Very high | 82.2 | Confident | 8.33333 Ų | 8.33333 | 39.5 Ų | 39.5 | 4% | 0.044 | 21% | 0.207 | C | C | . | . | trans | -52.6 | 121.6 | -172.5 | -58.9 | 172.8 | 0 | 0 | 0 | 111.6 | I712 V715 L731 N734 L755 N758 K759 L760 | I712-L736 HydrophobicContact CB-CD2 4.49Å; I712-L736 HydrophobicContact CG2-CD2 3.87Å; I712-L736 PolarHBondContact O-N 3.13Å; I712-L736 VanDerWaalsContact O-N 3.07Å; V715-L736 HydrophobicContact CG2-CD1 4.3Å; V715-L736 HydrophobicContact CG2-CD2 4.06Å; L731-L736 HydrophobicContact CB-CD1 4.34Å; L731-L736 HydrophobicContact CD1-CD1 4.38Å; N734-L736 HydrophobicContact CB-CG 4.43Å; L736-L755 HydrophobicContact CD1-CD2 3.74Å; L736-N758 HydrophobicContact CB-CB 4.25Å; L736-N758 WeakPolarHBondContact CB-OD1 3.38Å; L736-N758 WeakPolarHBondContact CG-OD1 3.4Å; L736-N758 PolarHBondContact N-OD1 3.1Å; L736-N758 VanDerWaalsContact N-OD1 3.11Å; L736-K759 CarbonylContact O-C 3.41Å; L736-K759 VanDerWaalsContact O-CA 3.26Å; L736-K759 WeakPolarHBondContact O-CA 3.39Å; L736-K759 WeakPolarHBondContact O-CB 3.46Å; L736-K759 PolarHBondContact O-N 2.91Å; L736-L760 HydrophobicContact CB-CD2 4.02Å; L736-L760 PolarHBondContact O-N 3.19Å; L736-L760 VanDerWaalsContact O-N 3.14Å | ||
| 737 | T | 88 | Confident | 81.6 | Confident | 68.3333 Ų | 68.3333 | 39.6 Ų | 39.6 | 42% | 0.419 | 21% | 0.207 | S | C | . | . | trans | -98.8 | -26 | -177.1 | 55.8 | 0 | 0 | 0 | 0 | 113.7 | K735 K759 L760 T761 | K735-T737 WeakPolarHBondContact O-CG2 3.4Å; K735-T737 PolarHBondContact O-N 3.28Å; T737-K759 HydrophobicContact CG2-CB 4.06Å; T737-K759 HydrophobicContact CG2-CD 4.28Å; T737-L760 WeakPolarHBondContact O-CA 3.42Å; T737-T761 PolarHBondContact O-N 3.25Å; T737-T761 VanDerWaalsContact O-N 3.12Å; T737-T761 PolarHBondContact O-OG1 3.44Å | ||
| 738 | T | 83.6 | Confident | 81 | Confident | 86.6667 Ų | 86.6667 | 45.1 Ų | 45.1 | 53% | 0.532 | 23% | 0.233 | S | C | . | . | trans | -134.2 | 152.4 | -178.5 | 57.5 | 0 | 0 | 0 | 0 | 110.6 | L760 | T738-L760 VanDerWaalsContact C-CD2 3.47Å; T738-L760 VanDerWaalsContact O-CD2 3.31Å; T738-L760 WeakPolarHBondContact O-CD2 3.41Å | ||
| 739 | L | 75.4 | Confident | 80.7 | Confident | 12.3333 Ų | 12.3333 | 47.7 Ų | 47.7 | 7% | 0.065 | 25% | 0.246 | C | C | . | . | trans | -118.6 | 86.5 | 178.1 | -166.5 | 77.5 | 0 | 0 | 0 | 110.3 | T741 F744 L755 L760 L763 P764 F768 | L739-T741 HydrophobicContact CD1-CG2 4.47Å; L739-T741 HydrophobicContact CD2-CG2 3.65Å; L739-T741 HydrophobicContact CG-CG2 3.7Å; L739-T741 PolarHBondContact O-N 3.19Å; L739-T741 VanDerWaalsContact O-N 3.15Å; L739-F744 HydrophobicContact CD1-CE2 3.87Å; L739-F744 HydrophobicContact CD1-CZ 4.31Å; L739-F744 HydrophobicContact CG-CE2 4.29Å; L739-L755 HydrophobicContact CD1-CD1 3.65Å; L739-L755 HydrophobicContact CD1-CD2 4.03Å; L739-L755 HydrophobicContact CD1-CG 4.4Å; L739-L755 HydrophobicContact CD2-CD1 4.16Å; L739-L755 HydrophobicContact CG-CD1 4.5Å; L739-L760 HydrophobicContact CB-CD1 4.33Å; L739-L760 HydrophobicContact CB-CD2 4.11Å; L739-L760 HydrophobicContact CD1-CD1 4.26Å; L739-L760 HydrophobicContact CD1-CD2 4.36Å; L739-L763 HydrophobicContact CD2-CD2 4.13Å; L739-P764 WeakPolarHBondContact O-CD 3.44Å; L739-P764 VanDerWaalsContact O-CG 3.31Å; L739-P764 WeakPolarHBondContact O-CG 3.46Å; L739-F768 HydrophobicContact CD2-CE1 3.77Å; L739-F768 HydrophobicContact CD2-CE2 4.28Å; L739-F768 HydrophobicContact CD2-CZ 3.4Å; L739-F768 VanDerWaalsContact CD2-CZ 3.43Å | ||
| 740 | E | 69.9 | Low | 80.5 | Confident | 95 Ų | 95 | 47.7 Ų | 47.7 | 44% | 0.444 | 25% | 0.246 | S | C | . | . | trans | -81.7 | 102.7 | 165.5 | -84 | -177.7 | -147.5 | 0 | 0 | 109.4 | S742 R743 | E740-S742 VanDerWaalsContact C-N 3.32Å; E740-S742 PolarHBondContact O-N 2.82Å; E740-R743 HydrophobicContact CB-CG 4.09Å; E740-R743 VanDerWaalsContact CB-NE 3.34Å; E740-R743 VanDerWaalsContact CD-CZ 3.43Å; E740-R743 VanDerWaalsContact O-CB 3.27Å; E740-R743 WeakPolarHBondContact O-CB 3.1Å; E740-R743 WeakPolarHBondContact O-CD 3.42Å; E740-R743 VanDerWaalsContact O-CG 3.29Å; E740-R743 WeakPolarHBondContact O-CG 3.36Å; E740-R743 PolarHBondContact O-N 2.79Å; E740-R743 IonicContact OE1-CZ 3.51Å; E740-R743 IonicContact OE1-NE 2.6Å; E740-R743 IonicContact OE1-NH2 3.49Å; E740-R743 PolarHBondContact OE1-NH2 2.97Å; E740-R743 IonicContact OE2-CZ 3.03Å; E740-R743 IonicContact OE2-NE 2.77Å; E740-R743 PolarHBondContact OE2-NE 2.9Å; E740-R743 IonicContact OE2-NH2 2.88Å; E740-R743 PolarHBondContact OE2-NH2 3.15Å | ||
| 741 | T | 61.6 | Low | 80.4 | Confident | 21 Ų | 21 | 48.3 Ų | 48.3 | 13% | 0.129 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -84.7 | -9.2 | -174.7 | 54.6 | 0 | 0 | 0 | 0 | 115.3 | L739 R743 F744 M745 A767 F768 | L739-T741 HydrophobicContact CD1-CG2 4.47Å; L739-T741 HydrophobicContact CD2-CG2 3.65Å; L739-T741 HydrophobicContact CG-CG2 3.7Å; L739-T741 PolarHBondContact O-N 3.19Å; L739-T741 VanDerWaalsContact O-N 3.15Å; T741-R743 PolarHBondContact O-N 3.2Å; T741-R743 VanDerWaalsContact O-N 3.08Å; T741-F744 HydrophobicContact CG2-CD2 4.33Å; T741-F744 HydrophobicContact CG2-CE2 4.43Å; T741-F744 PolarHBondContact O-N 3.13Å; T741-M745 WeakPolarHBondContact O-CG 3.31Å; T741-M745 PolarHBondContact O-N 2.96Å; T741-A767 WeakPolarHBondContact CB-O 3.38Å; T741-A767 HydrophobicContact CG2-CB 3.81Å; T741-A767 VanDerWaalsContact CG2-O 3.26Å; T741-A767 WeakPolarHBondContact CG2-O 3.38Å; T741-A767 VanDerWaalsContact OG1-C 3.31Å; T741-A767 WeakPolarHBondContact OG1-CA 3.42Å; T741-A767 PolarHBondContact OG1-O 3.17Å; T741-F768 HydrophobicContact CG2-CD1 4.39Å; T741-F768 HydrophobicContact CG2-CE1 4.41Å |
| 742 | S | 60.9 | Low | 80.3 | Confident | 51 Ų | 51 | 49.7 Ų | 49.7 | 36% | 0.357 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -48.3 | -28.9 | 161.4 | 53.4 | 0 | 0 | 0 | 0 | 112.3 | E740 F744 M745 | E740-S742 VanDerWaalsContact C-N 3.32Å; E740-S742 PolarHBondContact O-N 2.82Å; S742-F744 VanDerWaalsContact C-N 3.31Å; S742-F744 PolarHBondContact O-N 3.22Å; S742-M745 WeakPolarHBondContact O-CE 3.06Å; S742-M745 WeakPolarHBondContact O-CG 3.49Å |
| 743 | R | 63.6 | Low | 80.3 | Confident | 25 Ų | 25 | 48.8 Ų | 48.8 | 9% | 0.094 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -75.1 | -11.5 | 178.3 | -49.4 | 177.1 | -179.5 | -155.2 | 2.2 | 114.2 | E714 V715 P717 E740 T741 | E714-R743 VanDerWaalsContact CG-NH1 3.3Å; E714-R743 IonicContact OE1-CZ 3.44Å; E714-R743 VanDerWaalsContact OE1-CZ 3.25Å; E714-R743 IonicContact OE1-NH1 3.48Å; E714-R743 PolarHBondContact OE1-NH1 2.97Å; E714-R743 IonicContact OE1-NH2 2.87Å; E714-R743 PolarHBondContact OE1-NH2 3.09Å; V715-R743 WeakPolarHBondContact O-CD 3.44Å; V715-R743 WeakPolarHBondContact O-CG 3.25Å; V715-R743 PolarHBondContact O-NE 2.6Å; V715-R743 PolarHBondContact O-NH1 2.97Å; P717-R743 HydrophobicContact CB-CG 4.01Å; P717-R743 HydrophobicContact CG-CG 3.86Å; E740-R743 HydrophobicContact CB-CG 4.09Å; E740-R743 VanDerWaalsContact CB-NE 3.34Å; E740-R743 VanDerWaalsContact CD-CZ 3.43Å; E740-R743 VanDerWaalsContact O-CB 3.27Å; E740-R743 WeakPolarHBondContact O-CB 3.1Å; E740-R743 WeakPolarHBondContact O-CD 3.42Å; E740-R743 VanDerWaalsContact O-CG 3.29Å; E740-R743 WeakPolarHBondContact O-CG 3.36Å; E740-R743 PolarHBondContact O-N 2.79Å; E740-R743 IonicContact OE1-CZ 3.51Å; E740-R743 IonicContact OE1-NE 2.6Å; E740-R743 IonicContact OE1-NH2 3.49Å; E740-R743 PolarHBondContact OE1-NH2 2.97Å; E740-R743 IonicContact OE2-CZ 3.03Å; E740-R743 IonicContact OE2-NE 2.77Å; E740-R743 PolarHBondContact OE2-NE 2.9Å; E740-R743 IonicContact OE2-NH2 2.88Å; E740-R743 PolarHBondContact OE2-NH2 3.15Å; T741-R743 PolarHBondContact O-N 3.2Å; T741-R743 VanDerWaalsContact O-N 3.08Å |
| 744 | F | 67.9 | Low | 80.2 | Confident | 8 Ų | 8 | 44.1 Ų | 44.1 | 4% | 0.035 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | -5.6 | 179.2 | -57.3 | -58.1 | 0 | 0 | 0 | 114.2 | V715 L729 L731 L739 T741 S742 L746 F747 L771 | V715-F744 HydrophobicContact CG1-CE1 4.26Å; V715-F744 HydrophobicContact CG1-CZ 4.42Å; L729-F744 HydrophobicContact CD2-CD1 4.2Å; L729-F744 HydrophobicContact CD2-CE1 3.91Å; L731-F744 HydrophobicContact CD1-CE1 4.21Å; L731-F744 HydrophobicContact CD1-CZ 4.25Å; L739-F744 HydrophobicContact CD1-CE2 3.87Å; L739-F744 HydrophobicContact CD1-CZ 4.31Å; L739-F744 HydrophobicContact CG-CE2 4.29Å; T741-F744 HydrophobicContact CG2-CD2 4.33Å; T741-F744 HydrophobicContact CG2-CE2 4.43Å; T741-F744 PolarHBondContact O-N 3.13Å; S742-F744 VanDerWaalsContact C-N 3.31Å; S742-F744 PolarHBondContact O-N 3.22Å; F744-L746 PolarHBondContact O-N 3.14Å; F744-F747 HydrophobicContact CB-CD2 4.25Å; F744-F747 HydrophobicContact CB-CE2 4.21Å; F744-F747 HydrophobicContact CD1-CD2 4.36Å; F744-F747 AromaticContact CD1-CE2 3.73Å; F744-F747 HydrophobicContact CD1-CE2 3.96Å; F744-F747 HydrophobicContact CG-CE2 4.36Å; F744-F747 VanDerWaalsContact O-CD2 3.28Å; F744-F747 WeakPolarHBondContact O-CD2 3.11Å; F744-F747 PolarHBondContact O-N 2.87Å; F744-L771 HydrophobicContact CB-CD2 4.44Å; F744-L771 WeakPolarHBondContact O-CD2 3.37Å |
| 745 | M | 61.8 | Low | 80.2 | Confident | 96 Ų | 96 | 43.6 Ų | 43.6 | 47% | 0.473 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -13.5 | -176.8 | -56.6 | -173.1 | -51.9 | 0 | 0 | 114.5 | T741 S742 F747 E770 | T741-M745 WeakPolarHBondContact O-CG 3.31Å; T741-M745 PolarHBondContact O-N 2.96Å; S742-M745 WeakPolarHBondContact O-CE 3.06Å; S742-M745 WeakPolarHBondContact O-CG 3.49Å; M745-F747 VanDerWaalsContact C-N 3.3Å; M745-F747 PolarHBondContact O-N 3.12Å; M745-E770 HydrophobicContact CB-CB 4.2Å; M745-E770 HydrophobicContact CB-CG 4.23Å; M745-E770 HydrophobicContact CG-CB 4.16Å; M745-E770 HydrophobicContact CG-CG 3.83Å; M745-E770 HydrophobicContact SD-CG 3.92Å |
| 746 | L | 67.8 | Low | 80.1 | Confident | 89.3333 Ų | 89.3333 | 41.8 Ų | 41.8 | 47% | 0.468 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -3.5 | 179.9 | -62.1 | 170.7 | 0 | 0 | 0 | 113.8 | F720 F744 E748 | F720-L746 VanDerWaalsContact O-CD1 3.23Å; F720-L746 WeakPolarHBondContact O-CD1 3.15Å; F744-L746 PolarHBondContact O-N 3.14Å; L746-E748 PolarHBondContact O-N 2.61Å |
| 747 | F | 78.2 | Confident | 80.3 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.009 | 23% | 0.229 | C | C | . | . | trans | -108.4 | 69.4 | -172.4 | -55.7 | -50.9 | 0 | 0 | 0 | 113.8 | F720 V723 L726 L729 F744 M745 N749 L750 L771 | F720-F747 HydrophobicContact CB-CE1 3.84Å; F720-F747 HydrophobicContact CB-CZ 3.78Å; F720-F747 HydrophobicContact CD1-CE1 4.2Å; F720-F747 AromaticContact CD1-CZ 3.7Å; F720-F747 HydrophobicContact CD1-CZ 3.7Å; F720-F747 HydrophobicContact CD2-CE1 4.19Å; F720-F747 AromaticContact CD2-CE2 3.8Å; F720-F747 HydrophobicContact CD2-CE2 3.96Å; F720-F747 AromaticContact CD2-CZ 3.4Å; F720-F747 HydrophobicContact CD2-CZ 3.4Å; F720-F747 VanDerWaalsContact CD2-CZ 3.46Å; F720-F747 HydrophobicContact CE1-CZ 4.11Å; F720-F747 AromaticContact CE2-CE2 3.96Å; F720-F747 HydrophobicContact CE2-CE2 4.16Å; F720-F747 AromaticContact CE2-CZ 3.82Å; F720-F747 HydrophobicContact CE2-CZ 3.82Å; F720-F747 AromaticContact CG-CE1 3.78Å; F720-F747 HydrophobicContact CG-CE1 3.87Å; F720-F747 HydrophobicContact CG-CE2 4.16Å; F720-F747 AromaticContact CG-CZ 3.33Å; F720-F747 HydrophobicContact CG-CZ 3.33Å; F720-F747 VanDerWaalsContact CG-CZ 3.45Å; F720-F747 HydrophobicContact CZ-CZ 4.16Å; V723-F747 HydrophobicContact CB-CE1 4.24Å; V723-F747 HydrophobicContact CG1-CE1 4.3Å; V723-F747 HydrophobicContact CG2-CD1 4.4Å; V723-F747 HydrophobicContact CG2-CE1 3.85Å; L726-F747 HydrophobicContact CB-CD1 3.89Å; L726-F747 HydrophobicContact CB-CE1 4.07Å; L726-F747 HydrophobicContact CB-CG 4.26Å; L726-F747 HydrophobicContact CD2-CD1 3.86Å; L726-F747 HydrophobicContact CD2-CD2 4.26Å; L726-F747 HydrophobicContact CD2-CE1 3.43Å; L726-F747 VanDerWaalsContact CD2-CE1 3.43Å; L726-F747 HydrophobicContact CD2-CE2 3.87Å; L726-F747 HydrophobicContact CD2-CG 4.23Å; L726-F747 HydrophobicContact CD2-CZ 3.4Å; L726-F747 VanDerWaalsContact CD2-CZ 3.49Å; L726-F747 HydrophobicContact CG-CD1 4.36Å; L726-F747 HydrophobicContact CG-CE1 4.28Å; L729-F747 HydrophobicContact CD2-CE2 4.09Å; L729-F747 HydrophobicContact CD2-CZ 4.41Å; F744-F747 HydrophobicContact CB-CD2 4.25Å; F744-F747 HydrophobicContact CB-CE2 4.21Å; F744-F747 HydrophobicContact CD1-CD2 4.36Å; F744-F747 AromaticContact CD1-CE2 3.73Å; F744-F747 HydrophobicContact CD1-CE2 3.96Å; F744-F747 HydrophobicContact CG-CE2 4.36Å; F744-F747 VanDerWaalsContact O-CD2 3.28Å; F744-F747 WeakPolarHBondContact O-CD2 3.11Å; F744-F747 PolarHBondContact O-N 2.87Å; M745-F747 VanDerWaalsContact C-N 3.3Å; M745-F747 PolarHBondContact O-N 3.12Å; F747-N749 PolarHBondContact O-N 3.07Å; F747-L750 HydrophobicContact CB-CB 3.86Å; F747-L750 HydrophobicContact CB-CD2 4.46Å; F747-L750 HydrophobicContact CD2-CD2 4.28Å; F747-L750 WeakPolarHBondContact O-CB 3.45Å; F747-L750 PolarHBondContact O-N 2.93Å; F747-L771 HydrophobicContact CB-CD2 4.33Å | ||
| 748 | E | 79.6 | Confident | 80.6 | Confident | 150.333 Ų | 150.333 | 40 Ų | 40 | 70% | 0.702 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -21.8 | 177.4 | -62.2 | 178.8 | 178.8 | 0 | 0 | 114.7 | L746 V773 | L746-E748 PolarHBondContact O-N 2.61Å; E748-V773 VanDerWaalsContact O-CG2 3.25Å; E748-V773 WeakPolarHBondContact O-CG2 3.31Å |
| 749 | N | 87.2 | Confident | 81.1 | Confident | 69.6667 Ų | 69.6667 | 40 Ų | 40 | 37% | 0.373 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 4.3 | -175.7 | -73.6 | -78.4 | 0 | 0 | 0 | 115 | P724 L726 F747 Q751 V773 | P724-N749 PolarHBondContact O-ND2 2.87Å; L726-N749 CarbonylContact O-C 3.07Å; F747-N749 PolarHBondContact O-N 3.07Å; N749-Q751 PolarHBondContact O-N 3.11Å; N749-V773 VanDerWaalsContact C-CG2 3.48Å |
| 750 | L | 90.1 | Very high | 81.8 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -69.9 | 118.7 | -172.8 | -164.5 | 69.2 | 0 | 0 | 0 | 111.7 | L726 L729 F747 L753 L771 V773 L774 | L726-L750 HydrophobicContact CD2-CD1 4.18Å; L726-L750 HydrophobicContact CG-CD1 4.11Å; L726-L750 VanDerWaalsContact O-CA 3.27Å; L726-L750 WeakPolarHBondContact O-CA 3.41Å; L726-L750 PolarHBondContact O-N 3.24Å; L729-L750 HydrophobicContact CB-CD1 3.98Å; F747-L750 HydrophobicContact CB-CB 3.86Å; F747-L750 HydrophobicContact CB-CD2 4.46Å; F747-L750 HydrophobicContact CD2-CD2 4.28Å; F747-L750 WeakPolarHBondContact O-CB 3.45Å; F747-L750 PolarHBondContact O-N 2.93Å; L750-L753 HydrophobicContact CD2-CB 4.16Å; L750-L753 HydrophobicContact CD2-CD1 4.43Å; L750-L753 HydrophobicContact CD2-CD2 4.44Å; L750-L771 HydrophobicContact CB-CD2 4.31Å; L750-L771 HydrophobicContact CD2-CD1 4.19Å; L750-L771 HydrophobicContact CD2-CD2 4.25Å; L750-V773 CarbonylContact O-C 3.39Å; L750-L774 HydrophobicContact CD2-CD1 4.45Å; L750-L774 HydrophobicContact CG-CD1 4.36Å; L750-L774 VanDerWaalsContact O-CA 3.26Å; L750-L774 WeakPolarHBondContact O-CA 3.2Å; L750-L774 PolarHBondContact O-N 3.17Å | ||
| 751 | Q | 91.7 | Very high | 82.7 | Confident | 35.3333 Ų | 35.3333 | 38 Ų | 38 | 17% | 0.165 | 20% | 0.199 | C | C | . | . | trans | -107.2 | -29.6 | -177.3 | -71.4 | 165.1 | 79.7 | 0 | 0 | 112.6 | E727 N749 V773 K775 E776 | E727-Q751 VanDerWaalsContact CG-NE2 3.3Å; E727-Q751 CarbonylContact O-C 2.85Å; E727-Q751 WeakPolarHBondContact O-CA 3.2Å; E727-Q751 WeakPolarHBondContact O-CB 3.14Å; E727-Q751 PolarHBondContact O-N 2.81Å; E727-Q751 PolarHBondContact OE2-NE2 3.31Å; N749-Q751 PolarHBondContact O-N 3.11Å; Q751-V773 HydrophobicContact CG-CG2 4.38Å; Q751-K775 HydrophobicContact CB-CB 4.46Å; Q751-K775 HydrophobicContact CB-CD 4.16Å; Q751-K775 HydrophobicContact CB-CG 4.35Å; Q751-K775 HydrophobicContact CG-CD 4.04Å; Q751-K775 HydrophobicContact CG-CG 4.33Å; Q751-K775 CarbonylContact O-C 3.46Å; Q751-K775 WeakPolarHBondContact O-CA 3.38Å; Q751-K775 WeakPolarHBondContact O-CB 3.23Å; Q751-K775 PolarHBondContact O-N 2.95Å; Q751-E776 PolarHBondContact O-N 3.08Å; Q751-E776 VanDerWaalsContact O-N 3.16Å | ||
| 752 | L | 91.3 | Very high | 83.8 | Confident | 28.6667 Ų | 28.6667 | 41.8 Ų | 41.8 | 15% | 0.15 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 126.1 | 177.7 | -173.4 | 155.9 | 0 | 0 | 0 | 110.2 | E727 S728 L729 D754 E776 | E727-L752 PolarHBondContact O-N 3.33Å; E727-L752 VanDerWaalsContact O-N 3.09Å; S728-L752 WeakPolarHBondContact CA-O 3.29Å; L729-L752 PolarHBondContact N-O 3.16Å; L752-D754 HydrophobicContact CD2-CB 4.03Å; L752-E776 WeakPolarHBondContact CA-O 3.19Å; L752-E776 HydrophobicContact CB-CB 4.44Å; L752-E776 HydrophobicContact CD1-CB 4.35Å; L752-E776 HydrophobicContact CG-CB 4.14Å |
| 753 | L | 92.5 | Very high | 85 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 114.8 | 172.7 | 178.9 | 56.8 | 0 | 0 | 0 | 109.2 | L729 L750 L755 F768 L771 L774 E776 L777 H778 | L729-L753 HydrophobicContact CB-CD1 4.18Å; L729-L753 HydrophobicContact CD2-CD1 4.08Å; L729-L753 HydrophobicContact CG-CD1 4.19Å; L750-L753 HydrophobicContact CD2-CB 4.16Å; L750-L753 HydrophobicContact CD2-CD1 4.43Å; L750-L753 HydrophobicContact CD2-CD2 4.44Å; L753-L755 HydrophobicContact CD1-CD1 4.21Å; L753-L755 HydrophobicContact CD1-CG 4.13Å; L753-L755 HydrophobicContact CD2-CD1 3.95Å; L753-L755 HydrophobicContact CG-CD1 3.89Å; L753-L755 HydrophobicContact CG-CG 4.17Å; L753-F768 HydrophobicContact CD2-CD1 4.1Å; L753-F768 HydrophobicContact CD2-CE1 3.8Å; L753-L771 HydrophobicContact CD2-CD1 4.25Å; L753-L774 HydrophobicContact CB-CD1 3.92Å; L753-E776 PolarHBondContact N-O 2.95Å; L753-E776 VanDerWaalsContact N-O 3.14Å; L753-L777 HydrophobicContact CB-CD1 4.29Å; L753-L777 HydrophobicContact CD2-CD1 4.25Å; L753-L777 HydrophobicContact CG-CD1 4.3Å; L753-L777 WeakPolarHBondContact O-CA 3.47Å; L753-H778 PolarHBondContact O-N 3.23Å |
| 754 | D | 93.4 | Very high | 85.6 | Confident | 19 Ų | 19 | 39.8 Ų | 39.8 | 10% | 0.102 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 108.7 | -179.4 | -171.2 | -3.6 | 0 | 0 | 0 | 111.3 | L729 N730 L731 T732 L752 S756 H778 | L729-D754 PolarHBondContact O-N 3.23Å; N730-D754 PolarHBondContact ND2-OD2 3.16Å; L731-D754 CarbonylContact C-O 3.32Å; L731-D754 WeakPolarHBondContact CA-O 3.31Å; L731-D754 PolarHBondContact N-O 3.29Å; T732-D754 HydrophobicContact CG2-CB 4.14Å; T732-D754 VanDerWaalsContact CG2-OD1 3.24Å; T732-D754 WeakPolarHBondContact CG2-OD1 3.29Å; T732-D754 WeakPolarHBondContact CG2-OD2 3.28Å; T732-D754 PolarHBondContact N-O 2.96Å; L752-D754 HydrophobicContact CD2-CB 4.03Å; D754-S756 VanDerWaalsContact OD1-CB 3.28Å; D754-S756 WeakPolarHBondContact OD1-CB 3.36Å; D754-S756 PolarHBondContact OD1-N 2.98Å; D754-S756 VanDerWaalsContact OD1-N 3.12Å; D754-S756 PolarHBondContact OD1-OG 2.86Å; D754-H778 HydrophobicContact CB-CB 4.16Å; D754-H778 WeakPolarHBondContact OD1-CB 3.21Å |
| 755 | L | 93.5 | Very high | 86 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -115 | 15.5 | -179 | -69.5 | 159.7 | 0 | 0 | 0 | 110.9 | L731 L736 L739 L753 N758 L760 F768 H778 L779 N782 | L731-L755 HydrophobicContact CB-CD2 4.05Å; L731-L755 HydrophobicContact CD1-CD2 3.97Å; L736-L755 HydrophobicContact CD1-CD2 3.74Å; L739-L755 HydrophobicContact CD1-CD1 3.65Å; L739-L755 HydrophobicContact CD1-CD2 4.03Å; L739-L755 HydrophobicContact CD1-CG 4.4Å; L739-L755 HydrophobicContact CD2-CD1 4.16Å; L739-L755 HydrophobicContact CG-CD1 4.5Å; L753-L755 HydrophobicContact CD1-CD1 4.21Å; L753-L755 HydrophobicContact CD1-CG 4.13Å; L753-L755 HydrophobicContact CD2-CD1 3.95Å; L753-L755 HydrophobicContact CG-CD1 3.89Å; L753-L755 HydrophobicContact CG-CG 4.17Å; L755-N758 WeakPolarHBondContact O-CB 3.29Å; L755-N758 PolarHBondContact O-ND2 3.26Å; L755-L760 HydrophobicContact CB-CD1 4.26Å; L755-F768 HydrophobicContact CD1-CE1 4.44Å; L755-H778 CarbonylContact C-O 3.44Å; L755-H778 WeakPolarHBondContact CA-O 3.26Å; L755-H778 PolarHBondContact N-O 3.03Å; L755-L779 HydrophobicContact CB-CD2 3.85Å; L755-L779 HydrophobicContact CD1-CD2 3.89Å; L755-L779 HydrophobicContact CG-CD2 4.46Å; L755-N782 PolarHBondContact O-ND2 3.24Å | ||
| 756 | S | 93.7 | Very high | 86.5 | Confident | 11.6667 Ų | 11.6667 | 39.5 Ų | 39.5 | 8% | 0.082 | 21% | 0.214 | C | C | . | . | trans | -66.8 | 153.8 | -175.4 | 61.8 | 0 | 0 | 0 | 0 | 113.5 | T732 K733 D754 N758 H778 N780 | T732-S756 CarbonylContact C-O 3.37Å; T732-S756 VanDerWaalsContact CA-O 3.24Å; T732-S756 WeakPolarHBondContact CA-O 3.41Å; T732-S756 WeakPolarHBondContact CG2-OG 3.28Å; K733-S756 PolarHBondContact N-O 3.23Å; D754-S756 VanDerWaalsContact OD1-CB 3.28Å; D754-S756 WeakPolarHBondContact OD1-CB 3.36Å; D754-S756 PolarHBondContact OD1-N 2.98Å; D754-S756 VanDerWaalsContact OD1-N 3.12Å; D754-S756 PolarHBondContact OD1-OG 2.86Å; S756-N758 VanDerWaalsContact C-N 3.34Å; S756-N758 PolarHBondContact O-N 3.39Å; S756-N758 PolarHBondContact O-ND2 2.84Å; S756-H778 PolarHBondContact N-O 3.12Å; S756-N780 CarbonylContact C-O 3.54Å; S756-N780 VanDerWaalsContact CA-O 3.24Å; S756-N780 WeakPolarHBondContact CA-O 3.29Å; S756-N780 VanDerWaalsContact CB-CG 3.41Å; S756-N780 VanDerWaalsContact CB-ND2 3.32Å; S756-N780 WeakPolarHBondContact CB-ND2 3.42Å; S756-N780 VanDerWaalsContact CB-O 3.28Å; S756-N780 WeakPolarHBondContact CB-O 3.26Å; S756-N780 VanDerWaalsContact CB-OD1 3.25Å; S756-N780 WeakPolarHBondContact CB-OD1 3.27Å | ||
| 757 | S | 95.1 | Very high | 86.8 | Confident | 29.3333 Ų | 29.3333 | 35.5 Ų | 35.5 | 21% | 0.205 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 57.3 | 44.8 | -175.1 | -54.7 | 0 | 0 | 0 | 0 | 114 | K733 N734 N780 D781 | K733-S757 VanDerWaalsContact CA-O 3.27Å; K733-S757 WeakPolarHBondContact CA-O 3.42Å; K733-S757 VanDerWaalsContact CE-OG 3.25Å; K733-S757 WeakPolarHBondContact CE-OG 3.22Å; K733-S757 PolarHBondContact N-O 2.74Å; N734-S757 PolarHBondContact N-O 2.97Å; N734-S757 VanDerWaalsContact N-O 3.15Å; S757-N780 PolarHBondContact N-O 2.8Å; S757-D781 WeakPolarHBondContact CA-O 3.2Å; S757-D781 PolarHBondContact N-O 3.38Å; S757-D781 WeakPolarHBondContact OG-CB 3.3Å |
| 758 | N | 93.6 | Very high | 87 | Confident | 9.66667 Ų | 9.66667 | 35.4 Ų | 35.4 | 5% | 0.052 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -110.9 | -164.3 | 173.4 | -85.8 | -84.3 | 0 | 0 | 0 | 110.3 | L731 N734 K735 L736 L755 S756 L760 D781 N782 | L731-N758 PolarHBondContact O-ND2 3.06Å; N734-N758 WeakPolarHBondContact CA-OD1 3.23Å; N734-N758 WeakPolarHBondContact CB-OD1 3.36Å; N734-N758 PolarHBondContact N-OD1 2.96Å; N734-N758 PolarHBondContact O-OD1 2.99Å; K735-N758 PolarHBondContact N-OD1 3.34Å; L736-N758 HydrophobicContact CB-CB 4.25Å; L736-N758 WeakPolarHBondContact CB-OD1 3.38Å; L736-N758 WeakPolarHBondContact CG-OD1 3.4Å; L736-N758 PolarHBondContact N-OD1 3.1Å; L736-N758 VanDerWaalsContact N-OD1 3.11Å; L755-N758 WeakPolarHBondContact O-CB 3.29Å; L755-N758 PolarHBondContact O-ND2 3.26Å; S756-N758 VanDerWaalsContact C-N 3.34Å; S756-N758 PolarHBondContact O-N 3.39Å; S756-N758 PolarHBondContact O-ND2 2.84Å; N758-L760 HydrophobicContact CB-CG 4.27Å; N758-D781 PolarHBondContact N-O 2.94Å; N758-N782 VanDerWaalsContact CA-OD1 3.29Å; N758-N782 WeakPolarHBondContact CA-OD1 3.27Å; N758-N782 WeakPolarHBondContact CB-OD1 3.41Å; N758-N782 PolarHBondContact N-ND2 3.05Å; N758-N782 PolarHBondContact N-OD1 3.04Å; N758-N782 PolarHBondContact O-OD1 2.99Å |
| 759 | K | 93.8 | Very high | 87 | Confident | 85.6667 Ų | 85.6667 | 32.5 Ų | 32.5 | 37% | 0.372 | 18% | 0.178 | S | C | . | . | trans | -114.6 | 21.5 | -179.5 | -56.3 | 177.3 | -168.4 | 161.4 | 0 | 112.3 | E713 K735 L736 T737 T761 N782 L783 | E713-K759 IonicContact OE1-NZ 2.85Å; E713-K759 PolarHBondContact OE1-NZ 2.99Å; K735-K759 HydrophobicContact CB-CD 4.47Å; K735-K759 VanDerWaalsContact O-CD 3.29Å; K735-K759 WeakPolarHBondContact O-CD 3.26Å; L736-K759 CarbonylContact O-C 3.41Å; L736-K759 VanDerWaalsContact O-CA 3.26Å; L736-K759 WeakPolarHBondContact O-CA 3.39Å; L736-K759 WeakPolarHBondContact O-CB 3.46Å; L736-K759 PolarHBondContact O-N 2.91Å; T737-K759 HydrophobicContact CG2-CB 4.06Å; T737-K759 HydrophobicContact CG2-CD 4.28Å; K759-T761 PolarHBondContact O-N 2.78Å; K759-N782 PolarHBondContact N-OD1 3.04Å; K759-L783 HydrophobicContact CB-CD1 4.37Å | ||
| 760 | L | 91.6 | Very high | 86.5 | Confident | 0.333333 Ų | 0.333333 | 34 Ų | 34 | 0% | 0.002 | 18% | 0.183 | C | C | . | . | trans | -62.5 | 127.2 | -174.2 | -60.1 | 176.6 | 0 | 0 | 0 | 110.5 | L736 T737 T738 L739 L755 N758 L779 N782 L783 I784 | L736-L760 HydrophobicContact CB-CD2 4.02Å; L736-L760 PolarHBondContact O-N 3.19Å; L736-L760 VanDerWaalsContact O-N 3.14Å; T737-L760 WeakPolarHBondContact O-CA 3.42Å; T738-L760 VanDerWaalsContact C-CD2 3.47Å; T738-L760 VanDerWaalsContact O-CD2 3.31Å; T738-L760 WeakPolarHBondContact O-CD2 3.41Å; L739-L760 HydrophobicContact CB-CD1 4.33Å; L739-L760 HydrophobicContact CB-CD2 4.11Å; L739-L760 HydrophobicContact CD1-CD1 4.26Å; L739-L760 HydrophobicContact CD1-CD2 4.36Å; L755-L760 HydrophobicContact CB-CD1 4.26Å; N758-L760 HydrophobicContact CB-CG 4.27Å; L760-L779 HydrophobicContact CD1-CD2 3.78Å; L760-N782 HydrophobicContact CB-CB 4.35Å; L760-N782 VanDerWaalsContact CB-OD1 3.27Å; L760-N782 WeakPolarHBondContact CB-OD1 3.27Å; L760-N782 VanDerWaalsContact CG-OD1 3.31Å; L760-N782 WeakPolarHBondContact CG-OD1 3.47Å; L760-N782 PolarHBondContact N-OD1 2.86Å; L760-L783 CarbonylContact O-C 3.43Å; L760-L783 VanDerWaalsContact O-CA 3.27Å; L760-L783 WeakPolarHBondContact O-CA 3.35Å; L760-L783 WeakPolarHBondContact O-CB 3.45Å; L760-L783 PolarHBondContact O-N 3.13Å; L760-I784 HydrophobicContact CB-CG1 4.24Å; L760-I784 WeakPolarHBondContact O-CA 3.31Å; L760-I784 WeakPolarHBondContact O-CG1 3.22Å; L760-I784 PolarHBondContact O-N 2.83Å | ||
| 761 | T | 88.4 | Confident | 86.1 | Confident | 65.6667 Ų | 65.6667 | 34.3 Ų | 34.3 | 40% | 0.403 | 18% | 0.184 | S | C | . | . | trans | -100.2 | -20.7 | -172.2 | 51.6 | 0 | 0 | 0 | 0 | 115 | T737 K759 L783 I784 S785 | T737-T761 PolarHBondContact O-N 3.25Å; T737-T761 VanDerWaalsContact O-N 3.12Å; T737-T761 PolarHBondContact O-OG1 3.44Å; K759-T761 PolarHBondContact O-N 2.78Å; T761-L783 HydrophobicContact CG2-CB 4.24Å; T761-I784 WeakPolarHBondContact O-CA 3.23Å; T761-S785 PolarHBondContact O-N 3.13Å; T761-S785 VanDerWaalsContact O-N 3.11Å; T761-S785 PolarHBondContact O-OG 2.97Å; T761-S785 VanDerWaalsContact O-OG 3.06Å | ||
| 762 | K | 85.2 | Confident | 85.6 | Confident | 100.667 Ų | 100.667 | 35 Ų | 35 | 44% | 0.438 | 20% | 0.197 | S | C | . | . | trans | -156.9 | 159 | 178.6 | 64.5 | 172.5 | -163.1 | 148.3 | 0 | 111.2 | E788 | K762-E788 IonicContact NZ-OE1 3.06Å; K762-E788 PolarHBondContact NZ-OE1 3.04Å | ||
| 763 | L | 84.7 | Confident | 85.4 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -110.3 | 116.7 | 168.6 | -61.4 | 177.6 | 0 | 0 | 0 | 109.4 | L739 F768 L779 I784 T786 V787 E788 A791 I792 L803 | L739-L763 HydrophobicContact CD2-CD2 4.13Å; L763-F768 HydrophobicContact CD2-CE2 4.43Å; L763-F768 HydrophobicContact CD2-CZ 4.4Å; L763-L779 HydrophobicContact CD1-CD1 3.86Å; L763-L779 HydrophobicContact CD2-CD1 4.06Å; L763-L779 HydrophobicContact CD2-CD2 4.24Å; L763-I784 HydrophobicContact CD1-CD1 4.2Å; L763-I784 HydrophobicContact CD2-CD1 4.01Å; L763-I784 HydrophobicContact CG-CD1 4.01Å; L763-I784 HydrophobicContact CG-CG2 4.17Å; L763-T786 PolarHBondContact N-O 2.93Å; L763-V787 HydrophobicContact CB-CG1 4.37Å; L763-V787 HydrophobicContact CD1-CG1 4.1Å; L763-V787 HydrophobicContact CD1-CG2 4.09Å; L763-E788 VanDerWaalsContact O-CB 3.32Å; L763-E788 WeakPolarHBondContact O-CB 3.21Å; L763-E788 WeakPolarHBondContact O-CG 3.32Å; L763-E788 PolarHBondContact O-N 3.15Å; L763-A791 HydrophobicContact CB-CB 4.18Å; L763-I792 HydrophobicContact CD1-CD1 4.37Å; L763-L803 HydrophobicContact CD1-CD2 3.99Å |
| 764 | P | 76.6 | Confident | 85.3 | Confident | 33.6667 Ų | 33.6667 | 35.6 Ų | 35.6 | 22% | 0.219 | 20% | 0.201 | C | C | . | . | trans | -73.4 | 156.2 | -178.2 | 29.5 | -33.3 | 0 | 0 | 0 | 112.7 | L739 S766 A767 E788 A791 | L739-P764 WeakPolarHBondContact O-CD 3.44Å; L739-P764 VanDerWaalsContact O-CG 3.31Å; L739-P764 WeakPolarHBondContact O-CG 3.46Å; P764-S766 PolarHBondContact O-N 3Å; P764-A767 HydrophobicContact CG-CB 4.11Å; P764-A767 VanDerWaalsContact O-CB 3.26Å; P764-A767 WeakPolarHBondContact O-CB 3.29Å; P764-A767 PolarHBondContact O-N 3.16Å; P764-A767 VanDerWaalsContact O-N 3.12Å; P764-E788 VanDerWaalsContact CA-OE2 3.3Å; P764-E788 WeakPolarHBondContact CA-OE2 3.31Å; P764-A791 VanDerWaalsContact O-CA 3.25Å; P764-A791 WeakPolarHBondContact O-CA 3.37Å; P764-A791 VanDerWaalsContact O-CB 3.27Å; P764-A791 WeakPolarHBondContact O-CB 3.41Å | ||
| 765 | A | 75.5 | Confident | 85.1 | Confident | 49.3333 Ų | 49.3333 | 37.2 Ų | 37.2 | 41% | 0.408 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 141.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A767 E788 T789 | A765-A767 PolarHBondContact O-N 3.1Å; A765-A767 VanDerWaalsContact O-N 3.13Å; A765-E788 HydrophobicContact CB-CB 4.3Å; A765-E788 PolarHBondContact N-OE2 2.78Å; A765-T789 VanDerWaalsContact CA-O 3.3Å; A765-T789 WeakPolarHBondContact CA-O 3.43Å; A765-T789 VanDerWaalsContact CB-O 3.24Å; A765-T789 WeakPolarHBondContact CB-O 3.24Å |
| 766 | S | 73.7 | Confident | 85.1 | Confident | 48.6667 Ų | 48.6667 | 39.8 Ų | 39.8 | 34% | 0.34 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 20.9 | -175.5 | -63.9 | 0 | 0 | 0 | 0 | 115.7 | P764 F768 K769 T790 | P764-S766 PolarHBondContact O-N 3Å; S766-F768 PolarHBondContact O-N 2.98Å; S766-K769 VanDerWaalsContact O-CB 3.29Å; S766-K769 WeakPolarHBondContact O-CB 3.35Å; S766-K769 PolarHBondContact O-N 3.32Å; S766-T790 VanDerWaalsContact CA-O 3.31Å; S766-T790 WeakPolarHBondContact CA-O 3.27Å; S766-T790 PolarHBondContact N-O 3.02Å; S766-T790 PolarHBondContact N-OG1 3.49Å; S766-T790 PolarHBondContact OG-OG1 3.48Å |
| 767 | A | 73 | Confident | 85 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 4% | 0.041 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | -60.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T741 P764 A765 K769 A791 | T741-A767 WeakPolarHBondContact CB-O 3.38Å; T741-A767 HydrophobicContact CG2-CB 3.81Å; T741-A767 VanDerWaalsContact CG2-O 3.26Å; T741-A767 WeakPolarHBondContact CG2-O 3.38Å; T741-A767 VanDerWaalsContact OG1-C 3.31Å; T741-A767 WeakPolarHBondContact OG1-CA 3.42Å; T741-A767 PolarHBondContact OG1-O 3.17Å; P764-A767 HydrophobicContact CG-CB 4.11Å; P764-A767 VanDerWaalsContact O-CB 3.26Å; P764-A767 WeakPolarHBondContact O-CB 3.29Å; P764-A767 PolarHBondContact O-N 3.16Å; P764-A767 VanDerWaalsContact O-N 3.12Å; A765-A767 PolarHBondContact O-N 3.1Å; A765-A767 VanDerWaalsContact O-N 3.13Å; A767-K769 PolarHBondContact O-N 3.28Å; A767-A791 WeakPolarHBondContact CA-O 3.17Å; A767-A791 VanDerWaalsContact CB-O 3.25Å; A767-A791 WeakPolarHBondContact CB-O 3.43Å; A767-A791 PolarHBondContact N-O 3.01Å |
| 768 | F | 82.9 | Confident | 85 | Confident | 0.666667 Ų | 0.666667 | 39.5 Ų | 39.5 | 0% | 0.003 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 12.2 | -172.4 | -55.1 | -79.5 | 0 | 0 | 0 | 114.2 | L739 T741 L753 L755 L763 S766 E770 L771 L774 L777 L779 A791 I792 N795 | L739-F768 HydrophobicContact CD2-CE1 3.77Å; L739-F768 HydrophobicContact CD2-CE2 4.28Å; L739-F768 HydrophobicContact CD2-CZ 3.4Å; L739-F768 VanDerWaalsContact CD2-CZ 3.43Å; T741-F768 HydrophobicContact CG2-CD1 4.39Å; T741-F768 HydrophobicContact CG2-CE1 4.41Å; L753-F768 HydrophobicContact CD2-CD1 4.1Å; L753-F768 HydrophobicContact CD2-CE1 3.8Å; L755-F768 HydrophobicContact CD1-CE1 4.44Å; L763-F768 HydrophobicContact CD2-CE2 4.43Å; L763-F768 HydrophobicContact CD2-CZ 4.4Å; S766-F768 PolarHBondContact O-N 2.98Å; F768-E770 VanDerWaalsContact C-N 3.34Å; F768-E770 PolarHBondContact O-N 3.04Å; F768-L771 HydrophobicContact CB-CD1 4.33Å; F768-L771 HydrophobicContact CD1-CD1 4.12Å; F768-L771 WeakPolarHBondContact O-CB 3.41Å; F768-L771 PolarHBondContact O-N 3.26Å; F768-L774 HydrophobicContact CB-CD2 4.47Å; F768-L774 HydrophobicContact CD1-CD2 4.46Å; F768-L777 HydrophobicContact CD1-CD1 4.3Å; F768-L777 HydrophobicContact CD1-CD2 4.32Å; F768-L777 HydrophobicContact CD2-CD2 3.88Å; F768-L777 HydrophobicContact CE1-CD1 3.77Å; F768-L777 HydrophobicContact CE1-CD2 4.28Å; F768-L777 HydrophobicContact CE2-CD1 4.46Å; F768-L777 HydrophobicContact CE2-CD2 3.75Å; F768-L777 HydrophobicContact CG-CD2 4.21Å; F768-L777 HydrophobicContact CZ-CD1 3.9Å; F768-L777 HydrophobicContact CZ-CD2 3.95Å; F768-L777 HydrophobicContact CZ-CG 4.44Å; F768-L779 HydrophobicContact CE2-CD1 4.26Å; F768-L779 HydrophobicContact CZ-CD1 4.04Å; F768-A791 WeakPolarHBondContact CD2-O 3.1Å; F768-A791 PolarHBondContact N-O 2.98Å; F768-I792 HydrophobicContact CD2-CB 4.35Å; F768-I792 HydrophobicContact CD2-CG1 3.89Å; F768-I792 HydrophobicContact CD2-CG2 4.29Å; F768-I792 HydrophobicContact CE2-CG1 4.1Å; F768-N795 WeakPolarHBondContact CB-OD1 3.4Å; F768-N795 PolarHBondContact O-ND2 2.98Å; F768-N795 PolarHBondContact O-OD1 3.23Å |
| 769 | K | 79 | Confident | 85 | Confident | 90.3333 Ų | 90.3333 | 39.1 Ų | 39.1 | 39% | 0.393 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -40.4 | -164.1 | -177.3 | 175.7 | 166.3 | -108 | 0 | 115.6 | S766 A767 L771 S793 | S766-K769 VanDerWaalsContact O-CB 3.29Å; S766-K769 WeakPolarHBondContact O-CB 3.35Å; S766-K769 PolarHBondContact O-N 3.32Å; A767-K769 PolarHBondContact O-N 3.28Å; K769-L771 VanDerWaalsContact C-N 3.28Å; K769-L771 PolarHBondContact O-N 3.14Å; K769-S793 WeakPolarHBondContact CA-O 3.15Å |
| 770 | E | 76.9 | Confident | 85 | Confident | 101.333 Ų | 101.333 | 36 Ų | 36 | 47% | 0.474 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -9.2 | -177.5 | -50.3 | -51.7 | 130 | 0 | 0 | 113 | M745 F768 A772 | M745-E770 HydrophobicContact CB-CB 4.2Å; M745-E770 HydrophobicContact CB-CG 4.23Å; M745-E770 HydrophobicContact CG-CB 4.16Å; M745-E770 HydrophobicContact CG-CG 3.83Å; M745-E770 HydrophobicContact SD-CG 3.92Å; F768-E770 VanDerWaalsContact C-N 3.34Å; F768-E770 PolarHBondContact O-N 3.04Å; E770-A772 VanDerWaalsContact C-N 3.28Å; E770-A772 PolarHBondContact O-N 2.86Å; E770-A772 VanDerWaalsContact O-N 3.14Å |
| 771 | L | 83.1 | Confident | 85.1 | Confident | 4.66667 Ų | 4.66667 | 39 Ų | 39 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | trans | -87.8 | 56 | -179.2 | -56.1 | 176.9 | 0 | 0 | 0 | 111.7 | F744 F747 L750 L753 F768 K769 V773 L774 N795 | F744-L771 HydrophobicContact CB-CD2 4.44Å; F744-L771 WeakPolarHBondContact O-CD2 3.37Å; F747-L771 HydrophobicContact CB-CD2 4.33Å; L750-L771 HydrophobicContact CB-CD2 4.31Å; L750-L771 HydrophobicContact CD2-CD1 4.19Å; L750-L771 HydrophobicContact CD2-CD2 4.25Å; L753-L771 HydrophobicContact CD2-CD1 4.25Å; F768-L771 HydrophobicContact CB-CD1 4.33Å; F768-L771 HydrophobicContact CD1-CD1 4.12Å; F768-L771 WeakPolarHBondContact O-CB 3.41Å; F768-L771 PolarHBondContact O-N 3.26Å; K769-L771 VanDerWaalsContact C-N 3.28Å; K769-L771 PolarHBondContact O-N 3.14Å; L771-V773 PolarHBondContact O-N 3.24Å; L771-L774 HydrophobicContact CB-CB 4.15Å; L771-L774 HydrophobicContact CB-CD2 4.44Å; L771-L774 HydrophobicContact CD1-CD2 4.38Å; L771-L774 VanDerWaalsContact O-CB 3.27Å; L771-L774 WeakPolarHBondContact O-CB 3.24Å; L771-L774 PolarHBondContact O-N 2.94Å; L771-L774 VanDerWaalsContact O-N 3.08Å; L771-N795 PolarHBondContact O-ND2 3.08Å | ||
| 772 | A | 80.6 | Confident | 85.4 | Confident | 51 Ų | 51 | 36.3 Ų | 36.3 | 42% | 0.421 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -20.9 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | E770 P796 | E770-A772 VanDerWaalsContact C-N 3.28Å; E770-A772 PolarHBondContact O-N 2.86Å; E770-A772 VanDerWaalsContact O-N 3.14Å; A772-P796 WeakPolarHBondContact O-CD 3.11Å |
| 773 | V | 86.9 | Confident | 85.8 | Confident | 40.6667 Ų | 40.6667 | 36.1 Ų | 36.1 | 25% | 0.246 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 6.8 | 179.9 | -51.5 | 0 | 0 | 0 | 0 | 114.7 | E748 N749 L750 Q751 L771 K775 | E748-V773 VanDerWaalsContact O-CG2 3.25Å; E748-V773 WeakPolarHBondContact O-CG2 3.31Å; N749-V773 VanDerWaalsContact C-CG2 3.48Å; L750-V773 CarbonylContact O-C 3.39Å; Q751-V773 HydrophobicContact CG-CG2 4.38Å; L771-V773 PolarHBondContact O-N 3.24Å; V773-K775 WeakPolarHBondContact O-CG 3.19Å |
| 774 | L | 89.4 | Confident | 86.1 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -59.8 | 136.3 | 178.6 | -166.4 | 69.3 | 0 | 0 | 0 | 110.9 | L750 L753 F768 L771 L777 Q797 L798 | L750-L774 HydrophobicContact CD2-CD1 4.45Å; L750-L774 HydrophobicContact CG-CD1 4.36Å; L750-L774 VanDerWaalsContact O-CA 3.26Å; L750-L774 WeakPolarHBondContact O-CA 3.2Å; L750-L774 PolarHBondContact O-N 3.17Å; L753-L774 HydrophobicContact CB-CD1 3.92Å; F768-L774 HydrophobicContact CB-CD2 4.47Å; F768-L774 HydrophobicContact CD1-CD2 4.46Å; L771-L774 HydrophobicContact CB-CB 4.15Å; L771-L774 HydrophobicContact CB-CD2 4.44Å; L771-L774 HydrophobicContact CD1-CD2 4.38Å; L771-L774 VanDerWaalsContact O-CB 3.27Å; L771-L774 WeakPolarHBondContact O-CB 3.24Å; L771-L774 PolarHBondContact O-N 2.94Å; L771-L774 VanDerWaalsContact O-N 3.08Å; L774-L777 HydrophobicContact CD2-CB 4.2Å; L774-L777 HydrophobicContact CD2-CD1 4.4Å; L774-L777 HydrophobicContact CD2-CD2 4.48Å; L774-Q797 CarbonylContact O-C 3.13Å; L774-L798 HydrophobicContact CB-CD1 4.37Å; L774-L798 HydrophobicContact CB-CD2 4.27Å; L774-L798 HydrophobicContact CD2-CD1 4.05Å; L774-L798 HydrophobicContact CD2-CD2 4.03Å; L774-L798 HydrophobicContact CG-CD1 3.94Å; L774-L798 HydrophobicContact CG-CD2 3.86Å; L774-L798 WeakPolarHBondContact O-CA 3.37Å; L774-L798 PolarHBondContact O-N 3.05Å | ||
| 775 | K | 91 | Very high | 86.7 | Confident | 53.6667 Ų | 53.6667 | 36.5 Ų | 36.5 | 23% | 0.233 | 20% | 0.204 | C | C | . | . | trans | -120.3 | -37.6 | -174.4 | -66.2 | 172.4 | -171.2 | 170.4 | 0 | 113 | Q751 V773 Q797 R799 L800 | Q751-K775 HydrophobicContact CB-CB 4.46Å; Q751-K775 HydrophobicContact CB-CD 4.16Å; Q751-K775 HydrophobicContact CB-CG 4.35Å; Q751-K775 HydrophobicContact CG-CD 4.04Å; Q751-K775 HydrophobicContact CG-CG 4.33Å; Q751-K775 CarbonylContact O-C 3.46Å; Q751-K775 WeakPolarHBondContact O-CA 3.38Å; Q751-K775 WeakPolarHBondContact O-CB 3.23Å; Q751-K775 PolarHBondContact O-N 2.95Å; V773-K775 WeakPolarHBondContact O-CG 3.19Å; K775-Q797 HydrophobicContact CG-CB 4.24Å; K775-R799 WeakPolarHBondContact O-CA 3.48Å; K775-R799 WeakPolarHBondContact O-CB 3.09Å; K775-R799 PolarHBondContact O-N 3.08Å; K775-L800 PolarHBondContact O-N 3.06Å | ||
| 776 | E | 92.2 | Very high | 87.1 | Confident | 54.3333 Ų | 54.3333 | 35.2 Ų | 35.2 | 25% | 0.254 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 123.6 | -179.4 | -62.9 | -177.9 | -142.6 | 0 | 0 | 109.5 | Q751 L752 L753 H778 L800 K1277 | Q751-E776 PolarHBondContact O-N 3.08Å; Q751-E776 VanDerWaalsContact O-N 3.16Å; L752-E776 WeakPolarHBondContact CA-O 3.19Å; L752-E776 HydrophobicContact CB-CB 4.44Å; L752-E776 HydrophobicContact CD1-CB 4.35Å; L752-E776 HydrophobicContact CG-CB 4.14Å; L753-E776 PolarHBondContact N-O 2.95Å; L753-E776 VanDerWaalsContact N-O 3.14Å; E776-H778 IonicContact OE2-CE1 3.08Å; E776-H778 IonicContact OE2-NE2 2.84Å; E776-H778 PolarHBondContact OE2-NE2 3.42Å; E776-H778 VanDerWaalsContact OE2-NE2 3.14Å; E776-L800 HydrophobicContact CB-CB 4.45Å; E776-L800 HydrophobicContact CG-CB 4.11Å; E776-K1277 IonicContact OE2-NZ 2.87Å; E776-K1277 PolarHBondContact OE2-NZ 3.4Å |
| 777 | L | 92.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 113.4 | 179.9 | 175.9 | 60 | 0 | 0 | 0 | 109.9 | L753 F768 L774 L779 I792 L798 L800 I801 N802 | L753-L777 HydrophobicContact CB-CD1 4.29Å; L753-L777 HydrophobicContact CD2-CD1 4.25Å; L753-L777 HydrophobicContact CG-CD1 4.3Å; L753-L777 WeakPolarHBondContact O-CA 3.47Å; F768-L777 HydrophobicContact CD1-CD1 4.3Å; F768-L777 HydrophobicContact CD1-CD2 4.32Å; F768-L777 HydrophobicContact CD2-CD2 3.88Å; F768-L777 HydrophobicContact CE1-CD1 3.77Å; F768-L777 HydrophobicContact CE1-CD2 4.28Å; F768-L777 HydrophobicContact CE2-CD1 4.46Å; F768-L777 HydrophobicContact CE2-CD2 3.75Å; F768-L777 HydrophobicContact CG-CD2 4.21Å; F768-L777 HydrophobicContact CZ-CD1 3.9Å; F768-L777 HydrophobicContact CZ-CD2 3.95Å; F768-L777 HydrophobicContact CZ-CG 4.44Å; L774-L777 HydrophobicContact CD2-CB 4.2Å; L774-L777 HydrophobicContact CD2-CD1 4.4Å; L774-L777 HydrophobicContact CD2-CD2 4.48Å; L777-L779 HydrophobicContact CD1-CD1 4Å; L777-L779 HydrophobicContact CD1-CG 4.12Å; L777-L779 HydrophobicContact CD2-CD1 3.9Å; L777-L779 HydrophobicContact CG-CD1 3.83Å; L777-L779 HydrophobicContact CG-CG 4.25Å; L777-I792 HydrophobicContact CD2-CD1 3.97Å; L777-I792 HydrophobicContact CD2-CG1 4.21Å; L777-I792 HydrophobicContact CD2-CG2 4.27Å; L777-L798 HydrophobicContact CB-CD1 4.05Å; L777-L798 HydrophobicContact CB-CD2 3.93Å; L777-L800 PolarHBondContact N-O 3.14Å; L777-I801 WeakPolarHBondContact O-CA 3.33Å; L777-N802 PolarHBondContact O-N 2.87Å |
| 778 | H | 94.1 | Very high | 88 | Confident | 35 Ų | 35 | 35.1 Ų | 35.1 | 16% | 0.162 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 118 | -178 | -64.6 | -103.8 | 0 | 0 | 0 | 110.6 | L753 D754 L755 S756 E776 | L753-H778 PolarHBondContact O-N 3.23Å; D754-H778 HydrophobicContact CB-CB 4.16Å; D754-H778 WeakPolarHBondContact OD1-CB 3.21Å; L755-H778 CarbonylContact C-O 3.44Å; L755-H778 WeakPolarHBondContact CA-O 3.26Å; L755-H778 PolarHBondContact N-O 3.03Å; S756-H778 PolarHBondContact N-O 3.12Å; E776-H778 IonicContact OE2-CE1 3.08Å; E776-H778 IonicContact OE2-NE2 2.84Å; E776-H778 PolarHBondContact OE2-NE2 3.42Å; E776-H778 VanDerWaalsContact OE2-NE2 3.14Å |
| 779 | L | 93.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -133.1 | 12.4 | -175.9 | -73.8 | 163.2 | 0 | 0 | 0 | 111.6 | L755 L760 L763 F768 L777 N782 I784 N802 L803 N806 | L755-L779 HydrophobicContact CB-CD2 3.85Å; L755-L779 HydrophobicContact CD1-CD2 3.89Å; L755-L779 HydrophobicContact CG-CD2 4.46Å; L760-L779 HydrophobicContact CD1-CD2 3.78Å; L763-L779 HydrophobicContact CD1-CD1 3.86Å; L763-L779 HydrophobicContact CD2-CD1 4.06Å; L763-L779 HydrophobicContact CD2-CD2 4.24Å; F768-L779 HydrophobicContact CE2-CD1 4.26Å; F768-L779 HydrophobicContact CZ-CD1 4.04Å; L777-L779 HydrophobicContact CD1-CD1 4Å; L777-L779 HydrophobicContact CD1-CG 4.12Å; L777-L779 HydrophobicContact CD2-CD1 3.9Å; L777-L779 HydrophobicContact CG-CD1 3.83Å; L777-L779 HydrophobicContact CG-CG 4.25Å; L779-N782 PolarHBondContact O-ND2 3.2Å; L779-N782 VanDerWaalsContact O-ND2 3.13Å; L779-I784 HydrophobicContact CB-CD1 4.15Å; L779-I784 HydrophobicContact CD2-CD1 4.44Å; L779-N802 CarbonylContact C-O 3.48Å; L779-N802 VanDerWaalsContact C-O 3.3Å; L779-N802 VanDerWaalsContact CA-O 3.3Å; L779-N802 WeakPolarHBondContact CA-O 3.42Å; L779-N802 WeakPolarHBondContact CB-O 3.36Å; L779-N802 PolarHBondContact N-O 3.02Å; L779-L803 HydrophobicContact CB-CD2 3.72Å; L779-L803 HydrophobicContact CD1-CD2 3.93Å; L779-L803 HydrophobicContact CG-CD2 4.46Å; L779-N806 PolarHBondContact O-ND2 2.93Å | ||
| 780 | N | 93.4 | Very high | 87.7 | Confident | 21.3333 Ų | 21.3333 | 35 Ų | 35 | 11% | 0.114 | 19% | 0.192 | C | C | . | . | trans | -65.3 | 161.9 | 179.4 | 53.4 | -78.7 | 0 | 0 | 0 | 113.2 | S756 S757 N782 N802 A804 | S756-N780 CarbonylContact C-O 3.54Å; S756-N780 VanDerWaalsContact CA-O 3.24Å; S756-N780 WeakPolarHBondContact CA-O 3.29Å; S756-N780 VanDerWaalsContact CB-CG 3.41Å; S756-N780 VanDerWaalsContact CB-ND2 3.32Å; S756-N780 WeakPolarHBondContact CB-ND2 3.42Å; S756-N780 VanDerWaalsContact CB-O 3.28Å; S756-N780 WeakPolarHBondContact CB-O 3.26Å; S756-N780 VanDerWaalsContact CB-OD1 3.25Å; S756-N780 WeakPolarHBondContact CB-OD1 3.27Å; S757-N780 PolarHBondContact N-O 2.8Å; N780-N782 VanDerWaalsContact C-N 3.34Å; N780-N782 PolarHBondContact O-N 2.93Å; N780-N782 PolarHBondContact O-ND2 2.84Å; N780-N782 VanDerWaalsContact O-ND2 3.09Å; N780-N802 WeakPolarHBondContact CB-OD1 3.48Å; N780-N802 PolarHBondContact N-O 3.01Å; N780-N802 VanDerWaalsContact N-O 3.12Å; N780-N802 VanDerWaalsContact OD1-CG 3.24Å; N780-N802 PolarHBondContact OD1-ND2 3.2Å; N780-N802 VanDerWaalsContact OD1-ND2 3.15Å; N780-A804 CarbonylContact C-O 3.42Å; N780-A804 WeakPolarHBondContact CA-O 3.27Å; N780-A804 HydrophobicContact CB-CB 4.28Å; N780-A804 VanDerWaalsContact CB-O 3.28Å; N780-A804 WeakPolarHBondContact CB-O 3.27Å | ||
| 781 | D | 94.7 | Very high | 87.8 | Confident | 63.6667 Ų | 63.6667 | 30.2 Ų | 30.2 | 34% | 0.34 | 17% | 0.169 | S | C | . | . | S | Bend | trans | 57.2 | 43.8 | 179.8 | -53.5 | -77 | 0 | 0 | 0 | 112.6 | S757 N758 A804 N805 | S757-D781 WeakPolarHBondContact CA-O 3.2Å; S757-D781 PolarHBondContact N-O 3.38Å; S757-D781 WeakPolarHBondContact OG-CB 3.3Å; N758-D781 PolarHBondContact N-O 2.94Å; D781-A804 PolarHBondContact N-O 3.12Å; D781-A804 VanDerWaalsContact N-O 3.1Å; D781-N805 CarbonylContact C-O 3.56Å; D781-N805 VanDerWaalsContact CA-O 3.25Å; D781-N805 WeakPolarHBondContact CA-O 3.31Å; D781-N805 HydrophobicContact CB-CB 4.44Å; D781-N805 PolarHBondContact N-O 3.17Å; D781-N805 VanDerWaalsContact OD1-CB 3.29Å; D781-N805 WeakPolarHBondContact OD1-CB 3.3Å; D781-N805 PolarHBondContact OD1-ND2 3.08Å |
| 782 | N | 93.2 | Very high | 87.8 | Confident | 7.33333 Ų | 7.33333 | 29.9 Ų | 29.9 | 4% | 0.039 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -119.4 | -171.7 | 178.2 | -88.3 | -87.9 | 0 | 0 | 0 | 110.5 | L755 N758 K759 L760 L779 N780 I784 N805 N806 | L755-N782 PolarHBondContact O-ND2 3.24Å; N758-N782 VanDerWaalsContact CA-OD1 3.29Å; N758-N782 WeakPolarHBondContact CA-OD1 3.27Å; N758-N782 WeakPolarHBondContact CB-OD1 3.41Å; N758-N782 PolarHBondContact N-ND2 3.05Å; N758-N782 PolarHBondContact N-OD1 3.04Å; N758-N782 PolarHBondContact O-OD1 2.99Å; K759-N782 PolarHBondContact N-OD1 3.04Å; L760-N782 HydrophobicContact CB-CB 4.35Å; L760-N782 VanDerWaalsContact CB-OD1 3.27Å; L760-N782 WeakPolarHBondContact CB-OD1 3.27Å; L760-N782 VanDerWaalsContact CG-OD1 3.31Å; L760-N782 WeakPolarHBondContact CG-OD1 3.47Å; L760-N782 PolarHBondContact N-OD1 2.86Å; L779-N782 PolarHBondContact O-ND2 3.2Å; L779-N782 VanDerWaalsContact O-ND2 3.13Å; N780-N782 VanDerWaalsContact C-N 3.34Å; N780-N782 PolarHBondContact O-N 2.93Å; N780-N782 PolarHBondContact O-ND2 2.84Å; N780-N782 VanDerWaalsContact O-ND2 3.09Å; N782-I784 HydrophobicContact CB-CD1 4.2Å; N782-I784 HydrophobicContact CB-CG1 4.09Å; N782-N805 PolarHBondContact N-O 3.05Å; N782-N806 WeakPolarHBondContact CA-OD1 3.28Å; N782-N806 WeakPolarHBondContact CB-OD1 3.11Å; N782-N806 PolarHBondContact O-OD1 3.34Å |
| 783 | L | 93.5 | Very high | 87.7 | Confident | 97.6667 Ų | 97.6667 | 27.8 Ų | 27.8 | 51% | 0.511 | 15% | 0.15 | S | C | . | . | trans | -109.4 | 20.8 | -179.6 | -58.8 | 177.5 | 0 | 0 | 0 | 112.2 | K759 L760 T761 S785 N806 | K759-L783 HydrophobicContact CB-CD1 4.37Å; L760-L783 CarbonylContact O-C 3.43Å; L760-L783 VanDerWaalsContact O-CA 3.27Å; L760-L783 WeakPolarHBondContact O-CA 3.35Å; L760-L783 WeakPolarHBondContact O-CB 3.45Å; L760-L783 PolarHBondContact O-N 3.13Å; T761-L783 HydrophobicContact CG2-CB 4.24Å; L783-S785 PolarHBondContact O-N 3.12Å; L783-N806 PolarHBondContact N-OD1 2.87Å | ||
| 784 | I | 92 | Very high | 87.1 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -64 | 120.7 | -171.5 | -59 | 166.2 | 0 | 0 | 0 | 108.5 | L760 T761 L763 L779 N782 T786 V787 L803 N806 S807 I808 | L760-I784 HydrophobicContact CB-CG1 4.24Å; L760-I784 WeakPolarHBondContact O-CA 3.31Å; L760-I784 WeakPolarHBondContact O-CG1 3.22Å; L760-I784 PolarHBondContact O-N 2.83Å; T761-I784 WeakPolarHBondContact O-CA 3.23Å; L763-I784 HydrophobicContact CD1-CD1 4.2Å; L763-I784 HydrophobicContact CD2-CD1 4.01Å; L763-I784 HydrophobicContact CG-CD1 4.01Å; L763-I784 HydrophobicContact CG-CG2 4.17Å; L779-I784 HydrophobicContact CB-CD1 4.15Å; L779-I784 HydrophobicContact CD2-CD1 4.44Å; N782-I784 HydrophobicContact CB-CD1 4.2Å; N782-I784 HydrophobicContact CB-CG1 4.09Å; I784-T786 VanDerWaalsContact CG2-O 3.32Å; I784-T786 WeakPolarHBondContact CG2-O 3.39Å; I784-V787 HydrophobicContact CG2-CG2 4.24Å; I784-L803 HydrophobicContact CD1-CD2 4Å; I784-N806 HydrophobicContact CB-CB 4.4Å; I784-N806 VanDerWaalsContact CB-OD1 3.23Å; I784-N806 WeakPolarHBondContact CB-OD1 3.37Å; I784-N806 VanDerWaalsContact CG1-OD1 3.3Å; I784-N806 WeakPolarHBondContact CG1-OD1 3.32Å; I784-N806 PolarHBondContact N-OD1 2.99Å; I784-S807 CarbonylContact O-C 3.44Å; I784-S807 VanDerWaalsContact O-CA 3.28Å; I784-S807 WeakPolarHBondContact O-CA 3.29Å; I784-S807 PolarHBondContact O-N 3.08Å; I784-I808 HydrophobicContact CB-CG1 4.39Å; I784-I808 HydrophobicContact CG2-CD1 4.39Å; I784-I808 HydrophobicContact CG2-CG1 4.09Å; I784-I808 VanDerWaalsContact O-CG1 3.31Å; I784-I808 WeakPolarHBondContact O-CG1 3.29Å; I784-I808 PolarHBondContact O-N 3.24Å | ||
| 785 | S | 89.5 | Confident | 86.8 | Confident | 41.3333 Ų | 41.3333 | 27.5 Ų | 27.5 | 29% | 0.289 | 15% | 0.15 | S | C | . | . | trans | -100.8 | -28 | -177.7 | 59.8 | 0 | 0 | 0 | 0 | 113.6 | T761 L783 S807 I808 F809 | T761-S785 PolarHBondContact O-N 3.13Å; T761-S785 VanDerWaalsContact O-N 3.11Å; T761-S785 PolarHBondContact O-OG 2.97Å; T761-S785 VanDerWaalsContact O-OG 3.06Å; L783-S785 PolarHBondContact O-N 3.12Å; S785-S807 WeakPolarHBondContact CA-O 3.21Å; S785-I808 WeakPolarHBondContact O-CA 3.23Å; S785-F809 WeakPolarHBondContact O-CD1 3.42Å; S785-F809 VanDerWaalsContact O-CE1 3.31Å; S785-F809 WeakPolarHBondContact O-CE1 3.29Å; S785-F809 PolarHBondContact O-N 3.12Å | ||
| 786 | T | 83.5 | Confident | 86.3 | Confident | 22.3333 Ų | 22.3333 | 28.3 Ų | 28.3 | 14% | 0.137 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 149.1 | -179.3 | 48.6 | 0 | 0 | 0 | 0 | 110.1 | L763 I784 F809 E810 Y812 | L763-T786 PolarHBondContact N-O 2.93Å; I784-T786 VanDerWaalsContact CG2-O 3.32Å; I784-T786 WeakPolarHBondContact CG2-O 3.39Å; T786-F809 HydrophobicContact CG2-CE1 3.73Å; T786-F809 HydrophobicContact CG2-CE2 4.33Å; T786-F809 HydrophobicContact CG2-CZ 3.56Å; T786-E810 WeakPolarHBondContact CA-O 3.3Å; T786-E810 HydrophobicContact CG2-CB 4.39Å; T786-Y812 HydrophobicContact CG2-CE2 4.23Å |
| 787 | V | 84.5 | Confident | 86 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 108.8 | 171.1 | -175.5 | 0 | 0 | 0 | 0 | 107.6 | L763 I784 A791 I792 I808 E810 L811 Y812 A815 | L763-V787 HydrophobicContact CB-CG1 4.37Å; L763-V787 HydrophobicContact CD1-CG1 4.1Å; L763-V787 HydrophobicContact CD1-CG2 4.09Å; I784-V787 HydrophobicContact CG2-CG2 4.24Å; V787-A791 HydrophobicContact CG1-CB 3.88Å; V787-I792 HydrophobicContact CG1-CD1 4.36Å; V787-I808 HydrophobicContact CG2-CD1 4.09Å; V787-I808 HydrophobicContact CG2-CG1 4.42Å; V787-E810 PolarHBondContact N-O 3.07Å; V787-L811 HydrophobicContact CB-CD2 3.74Å; V787-L811 HydrophobicContact CG1-CD2 4.48Å; V787-L811 HydrophobicContact CG2-CD2 3.58Å; V787-Y812 WeakPolarHBondContact O-CB 3.04Å; V787-Y812 VanDerWaalsContact O-CD2 3.31Å; V787-Y812 WeakPolarHBondContact O-CD2 3.21Å; V787-Y812 PolarHBondContact O-N 3.02Å; V787-A815 HydrophobicContact CB-CB 4.35Å; V787-A815 HydrophobicContact CG1-CB 3.92Å |
| 788 | E | 80.2 | Confident | 85.9 | Confident | 52.3333 Ų | 52.3333 | 29.8 Ų | 29.8 | 25% | 0.245 | 17% | 0.168 | C | C | . | . | trans | -66.7 | 158.6 | -174.2 | -66.3 | 174.9 | -161.7 | 0 | 0 | 112.3 | K762 L763 P764 A765 T790 A791 | K762-E788 IonicContact NZ-OE1 3.06Å; K762-E788 PolarHBondContact NZ-OE1 3.04Å; L763-E788 VanDerWaalsContact O-CB 3.32Å; L763-E788 WeakPolarHBondContact O-CB 3.21Å; L763-E788 WeakPolarHBondContact O-CG 3.32Å; L763-E788 PolarHBondContact O-N 3.15Å; P764-E788 VanDerWaalsContact CA-OE2 3.3Å; P764-E788 WeakPolarHBondContact CA-OE2 3.31Å; A765-E788 HydrophobicContact CB-CB 4.3Å; A765-E788 PolarHBondContact N-OE2 2.78Å; E788-T790 PolarHBondContact O-N 3.23Å; E788-A791 VanDerWaalsContact O-CB 3.26Å; E788-A791 WeakPolarHBondContact O-CB 3.34Å; E788-A791 PolarHBondContact O-N 3.19Å | ||
| 789 | T | 77.4 | Confident | 85.8 | Confident | 47.6667 Ų | 47.6667 | 33.8 Ų | 33.8 | 29% | 0.292 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 135 | 175.9 | -40.5 | 0 | 0 | 0 | 0 | 111 | A765 A791 Y812 F813 N814 | A765-T789 VanDerWaalsContact CA-O 3.3Å; A765-T789 WeakPolarHBondContact CA-O 3.43Å; A765-T789 VanDerWaalsContact CB-O 3.24Å; A765-T789 WeakPolarHBondContact CB-O 3.24Å; T789-A791 PolarHBondContact O-N 2.83Å; T789-Y812 HydrophobicContact CG2-CD2 4.07Å; T789-Y812 HydrophobicContact CG2-CG 3.97Å; T789-F813 WeakPolarHBondContact CA-O 3.21Å; T789-F813 VanDerWaalsContact CB-O 3.28Å; T789-F813 WeakPolarHBondContact CB-O 3.21Å; T789-F813 HydrophobicContact CG2-CD1 4.25Å; T789-F813 HydrophobicContact CG2-CD2 4.15Å; T789-F813 HydrophobicContact CG2-CE2 3.66Å; T789-F813 HydrophobicContact CG2-CZ 3.96Å; T789-F813 VanDerWaalsContact CG2-O 3.26Å; T789-F813 WeakPolarHBondContact CG2-O 3.42Å; T789-F813 WeakPolarHBondContact OG1-CE1 3.3Å; T789-F813 WeakPolarHBondContact OG1-CZ 3.39Å; T789-F813 PolarHBondContact OG1-O 3.15Å; T789-N814 VanDerWaalsContact CB-OD1 3.25Å; T789-N814 WeakPolarHBondContact CB-OD1 3.39Å; T789-N814 HydrophobicContact CG2-CB 4.41Å; T789-N814 WeakPolarHBondContact CG2-OD1 3.36Å |
| 790 | T | 78.6 | Confident | 85.6 | Confident | 40 Ų | 40 | 35.1 Ų | 35.1 | 25% | 0.245 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 17.2 | -175.4 | 70.8 | 0 | 0 | 0 | 0 | 116 | S766 E788 I792 S793 N814 D817 | S766-T790 VanDerWaalsContact CA-O 3.31Å; S766-T790 WeakPolarHBondContact CA-O 3.27Å; S766-T790 PolarHBondContact N-O 3.02Å; S766-T790 PolarHBondContact N-OG1 3.49Å; S766-T790 PolarHBondContact OG-OG1 3.48Å; E788-T790 PolarHBondContact O-N 3.23Å; T790-I792 VanDerWaalsContact C-N 3.29Å; T790-I792 PolarHBondContact O-N 3.04Å; T790-S793 WeakPolarHBondContact CB-OG 3.49Å; T790-S793 PolarHBondContact O-OG 3.15Å; T790-S793 VanDerWaalsContact O-OG 3.1Å; T790-N814 VanDerWaalsContact CA-O 3.23Å; T790-N814 WeakPolarHBondContact CA-O 3.33Å; T790-N814 PolarHBondContact N-O 3.03Å; T790-D817 HydrophobicContact CG2-CB 4.49Å |
| 791 | A | 79.4 | Confident | 85.6 | Confident | 0.333333 Ų | 0.333333 | 34.1 Ų | 34.1 | 0% | 0.003 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -58.4 | -38.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L763 P764 A767 F768 V787 E788 T789 | L763-A791 HydrophobicContact CB-CB 4.18Å; P764-A791 VanDerWaalsContact O-CA 3.25Å; P764-A791 WeakPolarHBondContact O-CA 3.37Å; P764-A791 VanDerWaalsContact O-CB 3.27Å; P764-A791 WeakPolarHBondContact O-CB 3.41Å; A767-A791 WeakPolarHBondContact CA-O 3.17Å; A767-A791 VanDerWaalsContact CB-O 3.25Å; A767-A791 WeakPolarHBondContact CB-O 3.43Å; A767-A791 PolarHBondContact N-O 3.01Å; F768-A791 WeakPolarHBondContact CD2-O 3.1Å; F768-A791 PolarHBondContact N-O 2.98Å; V787-A791 HydrophobicContact CG1-CB 3.88Å; E788-A791 VanDerWaalsContact O-CB 3.26Å; E788-A791 WeakPolarHBondContact O-CB 3.34Å; E788-A791 PolarHBondContact O-N 3.19Å; T789-A791 PolarHBondContact O-N 2.83Å |
| 792 | I | 83 | Confident | 85.6 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 61.6 | 177.2 | -49.6 | 171.3 | 0 | 0 | 0 | 108.8 | L763 F768 L777 V787 T790 S794 N795 L798 I801 L803 A815 F816 D817 L819 | L763-I792 HydrophobicContact CD1-CD1 4.37Å; F768-I792 HydrophobicContact CD2-CB 4.35Å; F768-I792 HydrophobicContact CD2-CG1 3.89Å; F768-I792 HydrophobicContact CD2-CG2 4.29Å; F768-I792 HydrophobicContact CE2-CG1 4.1Å; L777-I792 HydrophobicContact CD2-CD1 3.97Å; L777-I792 HydrophobicContact CD2-CG1 4.21Å; L777-I792 HydrophobicContact CD2-CG2 4.27Å; V787-I792 HydrophobicContact CG1-CD1 4.36Å; T790-I792 VanDerWaalsContact C-N 3.29Å; T790-I792 PolarHBondContact O-N 3.04Å; I792-S794 PolarHBondContact O-N 2.9Å; I792-N795 PolarHBondContact O-N 2.81Å; I792-N795 PolarHBondContact O-OD1 3.09Å; I792-N795 VanDerWaalsContact O-OD1 3.09Å; I792-L798 HydrophobicContact CG2-CD1 3.39Å; I792-L798 HydrophobicContact CG2-CD2 3.54Å; I792-I801 HydrophobicContact CB-CD1 4.44Å; I792-I801 HydrophobicContact CD1-CD1 4.26Å; I792-I801 HydrophobicContact CD1-CG2 3.97Å; I792-I801 HydrophobicContact CG2-CD1 3.89Å; I792-I801 HydrophobicContact CG2-CG1 4.48Å; I792-L803 HydrophobicContact CD1-CD1 4.4Å; I792-A815 CarbonylContact C-O 3.44Å; I792-A815 PolarHBondContact N-O 2.98Å; I792-A815 VanDerWaalsContact N-O 3.11Å; I792-F816 HydrophobicContact CB-CD1 4.35Å; I792-F816 HydrophobicContact CD1-CD1 4.32Å; I792-F816 HydrophobicContact CD1-CE1 3.9Å; I792-F816 CarbonylContact O-C 3.52Å; I792-F816 VanDerWaalsContact O-CA 3.26Å; I792-F816 WeakPolarHBondContact O-CA 3.25Å; I792-D817 PolarHBondContact O-N 2.81Å; I792-L819 HydrophobicContact CB-CD1 4.46Å; I792-L819 HydrophobicContact CG2-CD1 3.98Å; I792-L819 HydrophobicContact CG2-CD2 4.27Å; I792-L819 WeakPolarHBondContact O-CD1 3.49Å |
| 793 | S | 79.3 | Confident | 85.5 | Confident | 6 Ų | 6 | 31.6 Ų | 31.6 | 4% | 0.042 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 133.4 | -174.7 | 37.7 | 0 | 0 | 0 | 0 | 114.7 | K769 T790 N795 N814 A815 D817 | K769-S793 WeakPolarHBondContact CA-O 3.15Å; T790-S793 WeakPolarHBondContact CB-OG 3.49Å; T790-S793 PolarHBondContact O-OG 3.15Å; T790-S793 VanDerWaalsContact O-OG 3.1Å; S793-N795 PolarHBondContact N-OD1 2.87Å; S793-N795 PolarHBondContact O-N 3.2Å; S793-N795 PolarHBondContact O-OD1 2.87Å; S793-N795 VanDerWaalsContact O-OD1 3.11Å; S793-N814 PolarHBondContact OG-O 3.17Å; S793-A815 PolarHBondContact OG-O 3.28Å; S793-D817 CarbonylContact C-O 3.53Å; S793-D817 VanDerWaalsContact CA-O 3.26Å; S793-D817 WeakPolarHBondContact CA-O 3.23Å; S793-D817 WeakPolarHBondContact CB-O 3.39Å; S793-D817 PolarHBondContact OG-N 3.24Å; S793-D817 VanDerWaalsContact OG-N 3.11Å; S793-D817 PolarHBondContact OG-O 2.85Å |
| 794 | S | 74.4 | Confident | 85.5 | Confident | 35 Ų | 35 | 27.2 Ų | 27.2 | 25% | 0.245 | 15% | 0.147 | C | C | . | . | S | Bend | trans | 55.9 | 18.5 | -178.9 | -50.3 | 0 | 0 | 0 | 0 | 113.9 | I792 P796 D817 Q818 | I792-S794 PolarHBondContact O-N 2.9Å; S794-P796 VanDerWaalsContact C-CD 3.45Å; S794-P796 WeakPolarHBondContact O-CD 3.34Å; S794-D817 PolarHBondContact N-O 2.89Å; S794-Q818 PolarHBondContact OG-OE1 3.47Å |
| 795 | N | 81.4 | Confident | 85.6 | Confident | 0.333333 Ų | 0.333333 | 30.1 Ų | 30.1 | 0% | 0.002 | 16% | 0.163 | C | C | . | . | trans | -112.2 | 69.8 | -178.1 | -52.5 | 103.5 | 0 | 0 | 0 | 110.8 | F768 L771 I792 S793 Q797 L798 L819 | F768-N795 WeakPolarHBondContact CB-OD1 3.4Å; F768-N795 PolarHBondContact O-ND2 2.98Å; F768-N795 PolarHBondContact O-OD1 3.23Å; L771-N795 PolarHBondContact O-ND2 3.08Å; I792-N795 PolarHBondContact O-N 2.81Å; I792-N795 PolarHBondContact O-OD1 3.09Å; I792-N795 VanDerWaalsContact O-OD1 3.09Å; S793-N795 PolarHBondContact N-OD1 2.87Å; S793-N795 PolarHBondContact O-N 3.2Å; S793-N795 PolarHBondContact O-OD1 2.87Å; S793-N795 VanDerWaalsContact O-OD1 3.11Å; N795-Q797 PolarHBondContact O-N 3.12Å; N795-Q797 VanDerWaalsContact O-N 3.07Å; N795-L798 HydrophobicContact CB-CB 3.85Å; N795-L798 HydrophobicContact CB-CD1 3.63Å; N795-L798 HydrophobicContact CB-CD2 4.04Å; N795-L798 HydrophobicContact CB-CG 4.09Å; N795-L798 WeakPolarHBondContact O-CB 3.38Å; N795-L798 PolarHBondContact O-N 3.13Å; N795-L819 HydrophobicContact CB-CD2 3.91Å | ||
| 796 | P | 81.6 | Confident | 85.7 | Confident | 70.6667 Ų | 70.6667 | 28.7 Ų | 28.7 | 46% | 0.459 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -11 | -170.8 | 28.2 | -37.6 | 0 | 0 | 0 | 114.6 | A772 S794 G821 | A772-P796 WeakPolarHBondContact O-CD 3.11Å; S794-P796 VanDerWaalsContact C-CD 3.45Å; S794-P796 WeakPolarHBondContact O-CD 3.34Å; P796-G821 WeakPolarHBondContact O-CA 3.4Å; P796-G821 PolarHBondContact O-N 3.38Å |
| 797 | Q | 86.4 | Confident | 86.1 | Confident | 85.3333 Ų | 85.3333 | 29.2 Ų | 29.2 | 40% | 0.399 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -5 | 172.7 | -63.1 | -133.9 | 5.5 | 0 | 0 | 114 | L774 K775 N795 R799 | L774-Q797 CarbonylContact O-C 3.13Å; K775-Q797 HydrophobicContact CG-CB 4.24Å; N795-Q797 PolarHBondContact O-N 3.12Å; N795-Q797 VanDerWaalsContact O-N 3.07Å; Q797-R799 WeakPolarHBondContact O-CG 3.03Å; Q797-R799 PolarHBondContact O-N 3.38Å |
| 798 | L | 90 | Very high | 86.4 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -67.5 | 124.4 | -174.8 | -143.4 | 91.3 | 0 | 0 | 0 | 110.3 | L774 L777 I792 N795 I801 L819 G821 L822 | L774-L798 HydrophobicContact CB-CD1 4.37Å; L774-L798 HydrophobicContact CB-CD2 4.27Å; L774-L798 HydrophobicContact CD2-CD1 4.05Å; L774-L798 HydrophobicContact CD2-CD2 4.03Å; L774-L798 HydrophobicContact CG-CD1 3.94Å; L774-L798 HydrophobicContact CG-CD2 3.86Å; L774-L798 WeakPolarHBondContact O-CA 3.37Å; L774-L798 PolarHBondContact O-N 3.05Å; L777-L798 HydrophobicContact CB-CD1 4.05Å; L777-L798 HydrophobicContact CB-CD2 3.93Å; I792-L798 HydrophobicContact CG2-CD1 3.39Å; I792-L798 HydrophobicContact CG2-CD2 3.54Å; N795-L798 HydrophobicContact CB-CB 3.85Å; N795-L798 HydrophobicContact CB-CD1 3.63Å; N795-L798 HydrophobicContact CB-CD2 4.04Å; N795-L798 HydrophobicContact CB-CG 4.09Å; N795-L798 WeakPolarHBondContact O-CB 3.38Å; N795-L798 PolarHBondContact O-N 3.13Å; L798-I801 HydrophobicContact CD1-CD1 4.09Å; L798-I801 HydrophobicContact CD1-CG1 4.16Å; L798-I801 HydrophobicContact CD2-CD1 3.78Å; L798-I801 HydrophobicContact CD2-CG1 3.81Å; L798-I801 HydrophobicContact CG-CD1 4.46Å; L798-I801 HydrophobicContact CG-CG1 4.17Å; L798-L819 HydrophobicContact CB-CD2 4.41Å; L798-L819 HydrophobicContact CD1-CD2 4.2Å; L798-L819 HydrophobicContact CD2-CD1 4.27Å; L798-L819 HydrophobicContact CD2-CD2 4.16Å; L798-G821 CarbonylContact O-C 3.35Å; L798-G821 VanDerWaalsContact O-O 3.06Å; L798-L822 HydrophobicContact CB-CD1 4.28Å; L798-L822 HydrophobicContact CG-CD1 4.09Å; L798-L822 VanDerWaalsContact O-CA 3.27Å; L798-L822 WeakPolarHBondContact O-CA 3.43Å; L798-L822 PolarHBondContact O-N 3.17Å; L798-L822 VanDerWaalsContact O-N 3.08Å | ||
| 799 | R | 91.3 | Very high | 86.6 | Confident | 118.333 Ų | 118.333 | 31.4 Ų | 31.4 | 45% | 0.447 | 17% | 0.165 | S | C | . | . | trans | -111.7 | -32.6 | -175.9 | -64.8 | -178.7 | -179.8 | -154.1 | -5.1 | 113.1 | K775 Q797 L822 E823 T824 | K775-R799 WeakPolarHBondContact O-CA 3.48Å; K775-R799 WeakPolarHBondContact O-CB 3.09Å; K775-R799 PolarHBondContact O-N 3.08Å; Q797-R799 WeakPolarHBondContact O-CG 3.03Å; Q797-R799 PolarHBondContact O-N 3.38Å; R799-L822 VanDerWaalsContact C-CD1 3.41Å; R799-E823 PolarHBondContact O-N 2.93Å; R799-T824 PolarHBondContact O-N 3.01Å | ||
| 800 | L | 91.4 | Very high | 86.4 | Confident | 28.3333 Ų | 28.3333 | 32.2 Ų | 32.2 | 15% | 0.148 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 128.9 | -177.7 | -173.2 | 152.9 | 0 | 0 | 0 | 110.6 | K775 E776 L777 N802 T824 F826 | K775-L800 PolarHBondContact O-N 3.06Å; E776-L800 HydrophobicContact CB-CB 4.45Å; E776-L800 HydrophobicContact CG-CB 4.11Å; L777-L800 PolarHBondContact N-O 3.14Å; L800-N802 HydrophobicContact CD2-CB 4.18Å; L800-T824 WeakPolarHBondContact CA-O 3.26Å; L800-T824 HydrophobicContact CD1-CG2 4.16Å; L800-T824 HydrophobicContact CG-CG2 4.17Å; L800-F826 HydrophobicContact CD1-CE2 4.22Å; L800-F826 HydrophobicContact CG-CE2 4.34Å |
| 801 | I | 92.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 129.7 | 167.4 | -62.8 | 167.3 | 0 | 0 | 0 | 108.4 | L777 I792 L798 L803 F816 L819 L822 T824 L825 F826 | L777-I801 WeakPolarHBondContact O-CA 3.33Å; I792-I801 HydrophobicContact CB-CD1 4.44Å; I792-I801 HydrophobicContact CD1-CD1 4.26Å; I792-I801 HydrophobicContact CD1-CG2 3.97Å; I792-I801 HydrophobicContact CG2-CD1 3.89Å; I792-I801 HydrophobicContact CG2-CG1 4.48Å; L798-I801 HydrophobicContact CD1-CD1 4.09Å; L798-I801 HydrophobicContact CD1-CG1 4.16Å; L798-I801 HydrophobicContact CD2-CD1 3.78Å; L798-I801 HydrophobicContact CD2-CG1 3.81Å; L798-I801 HydrophobicContact CG-CD1 4.46Å; L798-I801 HydrophobicContact CG-CG1 4.17Å; I801-L803 HydrophobicContact CG2-CD1 3.74Å; I801-L803 HydrophobicContact CG2-CG 3.85Å; I801-F816 HydrophobicContact CD1-CD1 3.92Å; I801-F816 HydrophobicContact CD1-CE1 3.94Å; I801-F816 HydrophobicContact CG2-CE1 4.41Å; I801-L819 HydrophobicContact CD1-CD1 3.92Å; I801-L822 HydrophobicContact CB-CD1 4.44Å; I801-L822 HydrophobicContact CD1-CD1 3.86Å; I801-L822 HydrophobicContact CD1-CD2 3.95Å; I801-L822 HydrophobicContact CG1-CD1 3.77Å; I801-L822 HydrophobicContact CG1-CD2 4.43Å; I801-T824 PolarHBondContact N-O 3.17Å; I801-T824 VanDerWaalsContact N-O 3.08Å; I801-L825 HydrophobicContact CB-CD1 3.83Å; I801-L825 HydrophobicContact CD1-CD1 4.41Å; I801-L825 HydrophobicContact CG2-CD1 3.82Å; I801-L825 CarbonylContact O-C 3.11Å; I801-L825 VanDerWaalsContact O-CA 3.31Å; I801-L825 WeakPolarHBondContact O-CA 3.39Å; I801-F826 PolarHBondContact O-N 3.12Å |
| 802 | N | 93.4 | Very high | 85.9 | Confident | 17 Ų | 17 | 35.7 Ų | 35.7 | 9% | 0.091 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 104 | 173.5 | -168.5 | -4.4 | 0 | 0 | 0 | 111.1 | L777 L779 N780 L800 A804 F826 | L777-N802 PolarHBondContact O-N 2.87Å; L779-N802 CarbonylContact C-O 3.48Å; L779-N802 VanDerWaalsContact C-O 3.3Å; L779-N802 VanDerWaalsContact CA-O 3.3Å; L779-N802 WeakPolarHBondContact CA-O 3.42Å; L779-N802 WeakPolarHBondContact CB-O 3.36Å; L779-N802 PolarHBondContact N-O 3.02Å; N780-N802 WeakPolarHBondContact CB-OD1 3.48Å; N780-N802 PolarHBondContact N-O 3.01Å; N780-N802 VanDerWaalsContact N-O 3.12Å; N780-N802 VanDerWaalsContact OD1-CG 3.24Å; N780-N802 PolarHBondContact OD1-ND2 3.2Å; N780-N802 VanDerWaalsContact OD1-ND2 3.15Å; L800-N802 HydrophobicContact CD2-CB 4.18Å; N802-A804 VanDerWaalsContact C-N 3.27Å; N802-A804 PolarHBondContact O-N 3.15Å; N802-A804 VanDerWaalsContact OD1-CB 3.28Å; N802-A804 WeakPolarHBondContact OD1-CB 3.19Å; N802-A804 PolarHBondContact OD1-N 2.96Å; N802-A804 VanDerWaalsContact OD1-N 3.11Å; N802-F826 CarbonylContact C-O 3.4Å; N802-F826 HydrophobicContact CB-CB 4.37Å; N802-F826 HydrophobicContact CB-CD2 4.07Å; N802-F826 VanDerWaalsContact OD1-CB 3.31Å; N802-F826 WeakPolarHBondContact OD1-CB 3.37Å |
| 803 | L | 93 | Very high | 85.2 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -110.8 | 18 | 175.9 | -74.3 | 161.6 | 0 | 0 | 0 | 111.9 | L763 L779 I784 I792 I801 N806 I808 F816 L825 F826 L827 N830 | L763-L803 HydrophobicContact CD1-CD2 3.99Å; L779-L803 HydrophobicContact CB-CD2 3.72Å; L779-L803 HydrophobicContact CD1-CD2 3.93Å; L779-L803 HydrophobicContact CG-CD2 4.46Å; I784-L803 HydrophobicContact CD1-CD2 4Å; I792-L803 HydrophobicContact CD1-CD1 4.4Å; I801-L803 HydrophobicContact CG2-CD1 3.74Å; I801-L803 HydrophobicContact CG2-CG 3.85Å; L803-N806 PolarHBondContact O-ND2 2.99Å; L803-N806 VanDerWaalsContact O-ND2 3.14Å; L803-I808 HydrophobicContact CB-CD1 4.02Å; L803-I808 HydrophobicContact CD1-CD1 4.47Å; L803-I808 HydrophobicContact CD2-CD1 4.2Å; L803-I808 HydrophobicContact CG-CD1 4.35Å; L803-F816 HydrophobicContact CD1-CE1 4.12Å; L803-F816 HydrophobicContact CD1-CZ 3.91Å; L803-L825 HydrophobicContact CD1-CD1 4.28Å; L803-F826 CarbonylContact C-O 3.53Å; L803-F826 VanDerWaalsContact CA-O 3.32Å; L803-F826 WeakPolarHBondContact CA-O 3.39Å; L803-F826 WeakPolarHBondContact CB-O 3.25Å; L803-F826 PolarHBondContact N-O 3.15Å; L803-L827 HydrophobicContact CB-CD2 3.71Å; L803-L827 VanDerWaalsContact CB-CD2 3.5Å; L803-L827 HydrophobicContact CB-CG 4.2Å; L803-L827 HydrophobicContact CD1-CD2 3.96Å; L803-L827 HydrophobicContact CG-CD2 4.35Å; L803-N830 PolarHBondContact O-ND2 3.15Å | ||
| 804 | A | 92.1 | Very high | 84.9 | Confident | 5.25 Ų | 5.25 | 42.2 Ų | 42.2 | 4% | 0.043 | 21% | 0.206 | C | C | . | . | trans | -65.2 | 161.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N780 D781 N802 N806 F826 G828 | N780-A804 CarbonylContact C-O 3.42Å; N780-A804 WeakPolarHBondContact CA-O 3.27Å; N780-A804 HydrophobicContact CB-CB 4.28Å; N780-A804 VanDerWaalsContact CB-O 3.28Å; N780-A804 WeakPolarHBondContact CB-O 3.27Å; D781-A804 PolarHBondContact N-O 3.12Å; D781-A804 VanDerWaalsContact N-O 3.1Å; N802-A804 VanDerWaalsContact C-N 3.27Å; N802-A804 PolarHBondContact O-N 3.15Å; N802-A804 VanDerWaalsContact OD1-CB 3.28Å; N802-A804 WeakPolarHBondContact OD1-CB 3.19Å; N802-A804 PolarHBondContact OD1-N 2.96Å; N802-A804 VanDerWaalsContact OD1-N 3.11Å; A804-N806 PolarHBondContact O-N 2.91Å; A804-N806 PolarHBondContact O-ND2 3.33Å; A804-N806 VanDerWaalsContact O-ND2 3.1Å; A804-F826 HydrophobicContact CB-CB 4.4Å; A804-F826 PolarHBondContact N-O 3.06Å; A804-G828 CarbonylContact C-O 3.42Å; A804-G828 WeakPolarHBondContact CA-O 3.31Å; A804-G828 WeakPolarHBondContact CB-O 3.25Å | ||
| 805 | N | 94 | Very high | 84.9 | Confident | 62 Ų | 62 | 40.6 Ų | 40.6 | 33% | 0.332 | 19% | 0.194 | S | C | . | . | S | Bend | trans | 54.2 | 57.2 | 177.4 | -56.9 | -6 | 0 | 0 | 0 | 111.9 | D781 N782 G828 N829 | D781-N805 CarbonylContact C-O 3.56Å; D781-N805 VanDerWaalsContact CA-O 3.25Å; D781-N805 WeakPolarHBondContact CA-O 3.31Å; D781-N805 HydrophobicContact CB-CB 4.44Å; D781-N805 PolarHBondContact N-O 3.17Å; D781-N805 VanDerWaalsContact OD1-CB 3.29Å; D781-N805 WeakPolarHBondContact OD1-CB 3.3Å; D781-N805 PolarHBondContact OD1-ND2 3.08Å; N782-N805 PolarHBondContact N-O 3.05Å; N805-G828 PolarHBondContact N-O 2.92Å; N805-N829 CarbonylContact C-O 3.6Å; N805-N829 VanDerWaalsContact CA-O 3.32Å; N805-N829 WeakPolarHBondContact CA-O 3.17Å; N805-N829 HydrophobicContact CB-CB 4.49Å; N805-N829 PolarHBondContact N-O 3.17Å; N805-N829 VanDerWaalsContact OD1-CB 3.29Å; N805-N829 WeakPolarHBondContact OD1-CB 3.27Å; N805-N829 PolarHBondContact OD1-ND2 3Å |
| 806 | N | 91.8 | Very high | 84.8 | Confident | 12.75 Ų | 12.75 | 40.7 Ų | 40.7 | 7% | 0.068 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -129.9 | -161.4 | -177.7 | -93.4 | -84.5 | 0 | 0 | 0 | 110.9 | L779 N782 L783 I784 L803 A804 I808 N829 N830 | L779-N806 PolarHBondContact O-ND2 2.93Å; N782-N806 WeakPolarHBondContact CA-OD1 3.28Å; N782-N806 WeakPolarHBondContact CB-OD1 3.11Å; N782-N806 PolarHBondContact O-OD1 3.34Å; L783-N806 PolarHBondContact N-OD1 2.87Å; I784-N806 HydrophobicContact CB-CB 4.4Å; I784-N806 VanDerWaalsContact CB-OD1 3.23Å; I784-N806 WeakPolarHBondContact CB-OD1 3.37Å; I784-N806 VanDerWaalsContact CG1-OD1 3.3Å; I784-N806 WeakPolarHBondContact CG1-OD1 3.32Å; I784-N806 PolarHBondContact N-OD1 2.99Å; L803-N806 PolarHBondContact O-ND2 2.99Å; L803-N806 VanDerWaalsContact O-ND2 3.14Å; A804-N806 PolarHBondContact O-N 2.91Å; A804-N806 PolarHBondContact O-ND2 3.33Å; A804-N806 VanDerWaalsContact O-ND2 3.1Å; N806-I808 HydrophobicContact CB-CD1 4.28Å; N806-I808 HydrophobicContact CB-CG1 4.16Å; N806-N829 PolarHBondContact N-O 3.18Å; N806-N829 VanDerWaalsContact N-O 3.12Å; N806-N830 WeakPolarHBondContact CA-OD1 3.33Å; N806-N830 WeakPolarHBondContact CB-OD1 3.3Å; N806-N830 PolarHBondContact O-OD1 2.81Å |
| 807 | S | 92.4 | Very high | 84.6 | Confident | 31 Ų | 31 | 39.3 Ų | 39.3 | 22% | 0.217 | 18% | 0.184 | C | C | . | . | trans | -126.4 | 25.2 | 175.6 | -84.4 | 0 | 0 | 0 | 0 | 113 | I784 S785 F809 N830 K831 | I784-S807 CarbonylContact O-C 3.44Å; I784-S807 VanDerWaalsContact O-CA 3.28Å; I784-S807 WeakPolarHBondContact O-CA 3.29Å; I784-S807 PolarHBondContact O-N 3.08Å; S785-S807 WeakPolarHBondContact CA-O 3.21Å; S807-F809 PolarHBondContact O-N 2.89Å; S807-F809 VanDerWaalsContact O-N 3.14Å; S807-N830 PolarHBondContact N-OD1 2.73Å; S807-N830 VanDerWaalsContact N-OD1 3.15Å; S807-K831 PolarHBondContact OG-NZ 3.1Å | ||
| 808 | I | 89.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -64.3 | 114.9 | -174.5 | -59.6 | 167.4 | 0 | 0 | 0 | 108.8 | I784 S785 V787 L803 N806 L811 L827 N830 K831 I832 | I784-I808 HydrophobicContact CB-CG1 4.39Å; I784-I808 HydrophobicContact CG2-CD1 4.39Å; I784-I808 HydrophobicContact CG2-CG1 4.09Å; I784-I808 VanDerWaalsContact O-CG1 3.31Å; I784-I808 WeakPolarHBondContact O-CG1 3.29Å; I784-I808 PolarHBondContact O-N 3.24Å; S785-I808 WeakPolarHBondContact O-CA 3.23Å; V787-I808 HydrophobicContact CG2-CD1 4.09Å; V787-I808 HydrophobicContact CG2-CG1 4.42Å; L803-I808 HydrophobicContact CB-CD1 4.02Å; L803-I808 HydrophobicContact CD1-CD1 4.47Å; L803-I808 HydrophobicContact CD2-CD1 4.2Å; L803-I808 HydrophobicContact CG-CD1 4.35Å; N806-I808 HydrophobicContact CB-CD1 4.28Å; N806-I808 HydrophobicContact CB-CG1 4.16Å; I808-L811 HydrophobicContact CG2-CD1 4.47Å; I808-L811 HydrophobicContact CG2-CD2 3.66Å; I808-L811 HydrophobicContact CG2-CG 3.79Å; I808-L827 HydrophobicContact CD1-CD2 4.07Å; I808-N830 HydrophobicContact CB-CB 4.33Å; I808-N830 WeakPolarHBondContact CB-OD1 3.33Å; I808-N830 WeakPolarHBondContact CG1-OD1 3.36Å; I808-N830 PolarHBondContact N-OD1 3.08Å; I808-K831 CarbonylContact O-C 3.31Å; I808-K831 VanDerWaalsContact O-C 3.24Å; I808-K831 VanDerWaalsContact O-CA 3.26Å; I808-K831 WeakPolarHBondContact O-CA 3.4Å; I808-K831 WeakPolarHBondContact O-CB 3.46Å; I808-K831 PolarHBondContact O-N 3.17Å; I808-I832 HydrophobicContact CB-CG1 4.5Å; I808-I832 HydrophobicContact CG2-CD1 4.39Å; I808-I832 HydrophobicContact CG2-CG1 4.24Å; I808-I832 WeakPolarHBondContact O-CG1 3.09Å; I808-I832 PolarHBondContact O-N 3.09Å; I808-I832 VanDerWaalsContact O-N 3.08Å | ||
| 809 | F | 85.3 | Confident | 84 | Confident | 99 Ų | 99 | 41 Ų | 41 | 43% | 0.434 | 19% | 0.192 | S | C | . | . | trans | -105.6 | -21.9 | 174.4 | 68.1 | -92.9 | 0 | 0 | 0 | 112.6 | S785 T786 S807 K831 | S785-F809 WeakPolarHBondContact O-CD1 3.42Å; S785-F809 VanDerWaalsContact O-CE1 3.31Å; S785-F809 WeakPolarHBondContact O-CE1 3.29Å; S785-F809 PolarHBondContact O-N 3.12Å; T786-F809 HydrophobicContact CG2-CE1 3.73Å; T786-F809 HydrophobicContact CG2-CE2 4.33Å; T786-F809 HydrophobicContact CG2-CZ 3.56Å; S807-F809 PolarHBondContact O-N 2.89Å; S807-F809 VanDerWaalsContact O-N 3.14Å; F809-K831 HydrophobicContact CB-CB 3.99Å | ||
| 810 | E | 73.2 | Confident | 83.5 | Confident | 65.75 Ų | 65.75 | 39.7 Ų | 39.7 | 31% | 0.307 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 132.4 | -177.2 | -177.9 | 169.9 | -134.3 | 0 | 0 | 110.1 | T786 V787 Y812 N1247 | T786-E810 WeakPolarHBondContact CA-O 3.3Å; T786-E810 HydrophobicContact CG2-CB 4.39Å; V787-E810 PolarHBondContact N-O 3.07Å; E810-Y812 VanDerWaalsContact CD-CZ 3.49Å; E810-Y812 HydrophobicContact CG-CD1 4.45Å; E810-Y812 HydrophobicContact CG-CD2 4.19Å; E810-Y812 HydrophobicContact CG-CE1 4.02Å; E810-Y812 HydrophobicContact CG-CE2 3.83Å; E810-Y812 WeakPolarHBondContact OE1-CE1 3.36Å; E810-Y812 WeakPolarHBondContact OE2-CE1 3.45Å; E810-Y812 WeakPolarHBondContact OE2-CE2 3.34Å; E810-Y812 VanDerWaalsContact OE2-CZ 3.24Å; E810-Y812 PolarHBondContact OE2-OH 3.16Å; E810-N1247 PolarHBondContact OE1-ND2 3.27Å |
| 811 | L | 75.6 | Confident | 83.3 | Confident | 21.25 Ų | 21.25 | 39.5 Ų | 39.5 | 11% | 0.111 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 117.3 | 173.3 | -71.2 | 171.4 | 0 | 0 | 0 | 107 | V787 I808 F816 L827 I832 M844 | V787-L811 HydrophobicContact CB-CD2 3.74Å; V787-L811 HydrophobicContact CG1-CD2 4.48Å; V787-L811 HydrophobicContact CG2-CD2 3.58Å; I808-L811 HydrophobicContact CG2-CD1 4.47Å; I808-L811 HydrophobicContact CG2-CD2 3.66Å; I808-L811 HydrophobicContact CG2-CG 3.79Å; L811-F816 HydrophobicContact CD1-CE2 4.33Å; L811-F816 HydrophobicContact CD2-CE2 4.24Å; L811-F816 HydrophobicContact CD2-CZ 4.36Å; L811-L827 HydrophobicContact CD1-CD1 3.99Å; L811-L827 HydrophobicContact CD1-CD2 4.27Å; L811-L827 HydrophobicContact CD2-CD2 4.49Å; L811-I832 HydrophobicContact CD1-CD1 3.85Å; L811-I832 HydrophobicContact CD1-CG1 4.47Å; L811-I832 HydrophobicContact CG-CD1 4.31Å; L811-M844 HydrophobicContact CB-CG 4.02Å; L811-M844 HydrophobicContact CB-SD 3.91Å; L811-M844 HydrophobicContact CD1-CE 4.15Å; L811-M844 HydrophobicContact CD1-CG 4.25Å; L811-M844 HydrophobicContact CD1-SD 3.57Å; L811-M844 VanDerWaalsContact CD1-SD 3.55Å; L811-M844 WeakPolarHBondContact CD1-SD 3.35Å; L811-M844 HydrophobicContact CG-SD 4.26Å |
| 812 | Y | 72 | Confident | 83.1 | Confident | 91.75 Ų | 91.75 | 39.5 Ų | 39.5 | 36% | 0.36 | 20% | 0.198 | S | C | . | . | trans | -71.7 | 154.5 | -176.3 | -74.5 | -89.9 | 0 | 0 | 0 | 111.7 | T786 V787 T789 E810 N814 A815 | T786-Y812 HydrophobicContact CG2-CE2 4.23Å; V787-Y812 WeakPolarHBondContact O-CB 3.04Å; V787-Y812 VanDerWaalsContact O-CD2 3.31Å; V787-Y812 WeakPolarHBondContact O-CD2 3.21Å; V787-Y812 PolarHBondContact O-N 3.02Å; T789-Y812 HydrophobicContact CG2-CD2 4.07Å; T789-Y812 HydrophobicContact CG2-CG 3.97Å; E810-Y812 VanDerWaalsContact CD-CZ 3.49Å; E810-Y812 HydrophobicContact CG-CD1 4.45Å; E810-Y812 HydrophobicContact CG-CD2 4.19Å; E810-Y812 HydrophobicContact CG-CE1 4.02Å; E810-Y812 HydrophobicContact CG-CE2 3.83Å; E810-Y812 WeakPolarHBondContact OE1-CE1 3.36Å; E810-Y812 WeakPolarHBondContact OE2-CE1 3.45Å; E810-Y812 WeakPolarHBondContact OE2-CE2 3.34Å; E810-Y812 VanDerWaalsContact OE2-CZ 3.24Å; E810-Y812 PolarHBondContact OE2-OH 3.16Å; Y812-N814 PolarHBondContact O-N 3.04Å; Y812-A815 VanDerWaalsContact O-CB 3.28Å; Y812-A815 WeakPolarHBondContact O-CB 3.25Å; Y812-A815 PolarHBondContact O-N 3.03Å; Y812-A815 VanDerWaalsContact O-N 3.12Å | ||
| 813 | F | 68.1 | Low | 83 | Confident | 109 Ų | 109 | 41.3 Ų | 41.3 | 48% | 0.478 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 130.6 | 176.1 | 87.8 | -93.6 | 0 | 0 | 0 | 111.7 | T789 A815 K842 L1243 | T789-F813 WeakPolarHBondContact CA-O 3.21Å; T789-F813 VanDerWaalsContact CB-O 3.28Å; T789-F813 WeakPolarHBondContact CB-O 3.21Å; T789-F813 HydrophobicContact CG2-CD1 4.25Å; T789-F813 HydrophobicContact CG2-CD2 4.15Å; T789-F813 HydrophobicContact CG2-CE2 3.66Å; T789-F813 HydrophobicContact CG2-CZ 3.96Å; T789-F813 VanDerWaalsContact CG2-O 3.26Å; T789-F813 WeakPolarHBondContact CG2-O 3.42Å; T789-F813 WeakPolarHBondContact OG1-CE1 3.3Å; T789-F813 WeakPolarHBondContact OG1-CZ 3.39Å; T789-F813 PolarHBondContact OG1-O 3.15Å; F813-A815 PolarHBondContact O-N 3.08Å; F813-A815 VanDerWaalsContact O-N 3.09Å; F813-K842 HydrophobicContact CD2-CB 4.45Å; F813-K842 HydrophobicContact CD2-CD 4.46Å; F813-K842 HydrophobicContact CE2-CB 4.21Å; F813-K842 HydrophobicContact CE2-CD 3.99Å; F813-L1243 HydrophobicContact CB-CD1 4.34Å; F813-L1243 HydrophobicContact CD2-CD1 3.74Å; F813-L1243 HydrophobicContact CE2-CD1 4.42Å; F813-L1243 HydrophobicContact CG-CD1 4.25Å |
| 814 | N | 72.1 | Confident | 82.8 | Confident | 33.5 Ų | 33.5 | 41.9 Ų | 41.9 | 18% | 0.179 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.5 | 26.8 | -178.1 | -55.1 | 26.2 | 0 | 0 | 0 | 114 | T789 T790 S793 Y812 F816 D817 | T789-N814 VanDerWaalsContact CB-OD1 3.25Å; T789-N814 WeakPolarHBondContact CB-OD1 3.39Å; T789-N814 HydrophobicContact CG2-CB 4.41Å; T789-N814 WeakPolarHBondContact CG2-OD1 3.36Å; T790-N814 VanDerWaalsContact CA-O 3.23Å; T790-N814 WeakPolarHBondContact CA-O 3.33Å; T790-N814 PolarHBondContact N-O 3.03Å; S793-N814 PolarHBondContact OG-O 3.17Å; Y812-N814 PolarHBondContact O-N 3.04Å; N814-F816 PolarHBondContact O-N 2.86Å; N814-F816 VanDerWaalsContact O-N 3.16Å; N814-D817 HydrophobicContact CB-CB 4.14Å; N814-D817 VanDerWaalsContact CB-CG 3.45Å; N814-D817 VanDerWaalsContact CB-OD2 3.27Å; N814-D817 WeakPolarHBondContact CB-OD2 3.47Å; N814-D817 VanDerWaalsContact ND2-CG 3.33Å; N814-D817 PolarHBondContact ND2-OD1 2.88Å; N814-D817 PolarHBondContact ND2-OD2 3.34Å |
| 815 | A | 74.3 | Confident | 82.9 | Confident | 0.75 Ų | 0.75 | 41.6 Ų | 41.6 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -59.6 | -29.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V787 I792 S793 Y812 F813 | V787-A815 HydrophobicContact CB-CB 4.35Å; V787-A815 HydrophobicContact CG1-CB 3.92Å; I792-A815 CarbonylContact C-O 3.44Å; I792-A815 PolarHBondContact N-O 2.98Å; I792-A815 VanDerWaalsContact N-O 3.11Å; S793-A815 PolarHBondContact OG-O 3.28Å; Y812-A815 VanDerWaalsContact O-CB 3.28Å; Y812-A815 WeakPolarHBondContact O-CB 3.25Å; Y812-A815 PolarHBondContact O-N 3.03Å; Y812-A815 VanDerWaalsContact O-N 3.12Å; F813-A815 PolarHBondContact O-N 3.08Å; F813-A815 VanDerWaalsContact O-N 3.09Å |
| 816 | F | 79.7 | Confident | 82.8 | Confident | 2.25 Ų | 2.25 | 39.4 Ų | 39.4 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 63.7 | 178.4 | -56.8 | -73.4 | 0 | 0 | 0 | 110.8 | I792 I801 L803 L811 N814 L819 L825 G847 M848 | I792-F816 HydrophobicContact CB-CD1 4.35Å; I792-F816 HydrophobicContact CD1-CD1 4.32Å; I792-F816 HydrophobicContact CD1-CE1 3.9Å; I792-F816 CarbonylContact O-C 3.52Å; I792-F816 VanDerWaalsContact O-CA 3.26Å; I792-F816 WeakPolarHBondContact O-CA 3.25Å; I801-F816 HydrophobicContact CD1-CD1 3.92Å; I801-F816 HydrophobicContact CD1-CE1 3.94Å; I801-F816 HydrophobicContact CG2-CE1 4.41Å; L803-F816 HydrophobicContact CD1-CE1 4.12Å; L803-F816 HydrophobicContact CD1-CZ 3.91Å; L811-F816 HydrophobicContact CD1-CE2 4.33Å; L811-F816 HydrophobicContact CD2-CE2 4.24Å; L811-F816 HydrophobicContact CD2-CZ 4.36Å; N814-F816 PolarHBondContact O-N 2.86Å; N814-F816 VanDerWaalsContact O-N 3.16Å; F816-L819 HydrophobicContact CB-CD1 3.89Å; F816-L819 HydrophobicContact CD1-CD1 4.01Å; F816-L819 HydrophobicContact CG-CD1 4.43Å; F816-L819 WeakPolarHBondContact O-CB 3.43Å; F816-L819 WeakPolarHBondContact O-CG 3.33Å; F816-L825 HydrophobicContact CE1-CD1 4.17Å; F816-L825 HydrophobicContact CE1-CD2 4.19Å; F816-L825 HydrophobicContact CE2-CD2 4.21Å; F816-L825 HydrophobicContact CZ-CD1 4.27Å; F816-L825 HydrophobicContact CZ-CD2 4.29Å; F816-G847 CarbonylContact O-C 3.47Å; F816-G847 VanDerWaalsContact O-C 3.27Å; F816-G847 VanDerWaalsContact O-CA 3.31Å; F816-G847 WeakPolarHBondContact O-CA 3.35Å; F816-M848 HydrophobicContact CB-CE 3.78Å; F816-M848 HydrophobicContact CB-CG 3.88Å; F816-M848 HydrophobicContact CB-SD 3.57Å; F816-M848 WeakPolarHBondContact CB-SD 3.4Å; F816-M848 HydrophobicContact CD1-SD 4.05Å; F816-M848 HydrophobicContact CD2-CE 3.75Å; F816-M848 HydrophobicContact CD2-SD 4.14Å; F816-M848 HydrophobicContact CE2-CE 4.45Å; F816-M848 HydrophobicContact CG-CE 3.86Å; F816-M848 HydrophobicContact CG-CG 4.42Å; F816-M848 HydrophobicContact CG-SD 3.68Å; F816-M848 VanDerWaalsContact CG-SD 3.6Å |
| 817 | D | 77.8 | Confident | 82.8 | Confident | 42.25 Ų | 42.25 | 38.8 Ų | 38.8 | 23% | 0.226 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 141 | -176 | -142.5 | 1.9 | 0 | 0 | 0 | 112.4 | T790 I792 S793 S794 N814 L819 | T790-D817 HydrophobicContact CG2-CB 4.49Å; I792-D817 PolarHBondContact O-N 2.81Å; S793-D817 CarbonylContact C-O 3.53Å; S793-D817 VanDerWaalsContact CA-O 3.26Å; S793-D817 WeakPolarHBondContact CA-O 3.23Å; S793-D817 WeakPolarHBondContact CB-O 3.39Å; S793-D817 PolarHBondContact OG-N 3.24Å; S793-D817 VanDerWaalsContact OG-N 3.11Å; S793-D817 PolarHBondContact OG-O 2.85Å; S794-D817 PolarHBondContact N-O 2.89Å; N814-D817 HydrophobicContact CB-CB 4.14Å; N814-D817 VanDerWaalsContact CB-CG 3.45Å; N814-D817 VanDerWaalsContact CB-OD2 3.27Å; N814-D817 WeakPolarHBondContact CB-OD2 3.47Å; N814-D817 VanDerWaalsContact ND2-CG 3.33Å; N814-D817 PolarHBondContact ND2-OD1 2.88Å; N814-D817 PolarHBondContact ND2-OD2 3.34Å; D817-L819 VanDerWaalsContact C-N 3.27Å; D817-L819 PolarHBondContact O-N 2.9Å |
| 818 | Q | 78.2 | Confident | 82.7 | Confident | 120.75 Ų | 120.75 | 37.5 Ų | 37.5 | 56% | 0.564 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 34.7 | 179.9 | -52.9 | 177.4 | 9.9 | 0 | 0 | 114.4 | S794 D820 | S794-Q818 PolarHBondContact OG-OE1 3.47Å; Q818-D820 VanDerWaalsContact C-N 3.33Å; Q818-D820 PolarHBondContact O-N 3.47Å; Q818-D820 VanDerWaalsContact O-N 3.08Å |
| 819 | L | 85 | Confident | 82.9 | Confident | 0.25 Ų | 0.25 | 40.9 Ų | 40.9 | 0% | 0.001 | 20% | 0.201 | C | C | . | . | trans | -98 | 50.6 | 178 | -59.1 | -173.2 | 0 | 0 | 0 | 111.7 | I792 N795 L798 I801 F816 D817 G821 L822 G847 M848 | I792-L819 HydrophobicContact CB-CD1 4.46Å; I792-L819 HydrophobicContact CG2-CD1 3.98Å; I792-L819 HydrophobicContact CG2-CD2 4.27Å; I792-L819 WeakPolarHBondContact O-CD1 3.49Å; N795-L819 HydrophobicContact CB-CD2 3.91Å; L798-L819 HydrophobicContact CB-CD2 4.41Å; L798-L819 HydrophobicContact CD1-CD2 4.2Å; L798-L819 HydrophobicContact CD2-CD1 4.27Å; L798-L819 HydrophobicContact CD2-CD2 4.16Å; I801-L819 HydrophobicContact CD1-CD1 3.92Å; F816-L819 HydrophobicContact CB-CD1 3.89Å; F816-L819 HydrophobicContact CD1-CD1 4.01Å; F816-L819 HydrophobicContact CG-CD1 4.43Å; F816-L819 WeakPolarHBondContact O-CB 3.43Å; F816-L819 WeakPolarHBondContact O-CG 3.33Å; D817-L819 VanDerWaalsContact C-N 3.27Å; D817-L819 PolarHBondContact O-N 2.9Å; L819-G821 PolarHBondContact O-N 3.08Å; L819-G821 VanDerWaalsContact O-N 3.1Å; L819-L822 HydrophobicContact CB-CB 4.26Å; L819-L822 HydrophobicContact CD1-CD2 4.35Å; L819-L822 VanDerWaalsContact O-CB 3.29Å; L819-L822 WeakPolarHBondContact O-CB 3.42Å; L819-L822 PolarHBondContact O-N 2.88Å; L819-G847 CarbonylContact C-O 3.43Å; L819-G847 WeakPolarHBondContact CA-O 3.29Å; L819-G847 WeakPolarHBondContact CB-O 3.21Å; L819-G847 PolarHBondContact N-O 3.01Å; L819-M848 HydrophobicContact CB-CG 4.12Å; L819-M848 HydrophobicContact CD1-CG 4.39Å | ||
| 820 | D | 82.3 | Confident | 83.2 | Confident | 91.5 Ų | 91.5 | 36.7 Ų | 36.7 | 49% | 0.489 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -21.9 | -177.5 | -66.9 | -34.4 | 0 | 0 | 0 | 113.6 | Q818 L822 P849 N850 | Q818-D820 VanDerWaalsContact C-N 3.33Å; Q818-D820 PolarHBondContact O-N 3.47Å; Q818-D820 VanDerWaalsContact O-N 3.08Å; D820-L822 VanDerWaalsContact C-N 3.32Å; D820-L822 PolarHBondContact O-N 3.25Å; D820-P849 WeakPolarHBondContact OD1-CD 3.34Å; D820-P849 VanDerWaalsContact OD1-CG 3.25Å; D820-P849 WeakPolarHBondContact OD1-CG 3.18Å; D820-N850 WeakPolarHBondContact O-CB 3.29Å; D820-N850 PolarHBondContact O-ND2 3.11Å |
| 821 | G | 85.3 | Confident | 84.1 | Confident | 22.75 Ų | 22.75 | 37.9 Ų | 37.9 | 24% | 0.235 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -10 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | P796 L798 L819 E823 | P796-G821 WeakPolarHBondContact O-CA 3.4Å; P796-G821 PolarHBondContact O-N 3.38Å; L798-G821 CarbonylContact O-C 3.35Å; L798-G821 VanDerWaalsContact O-O 3.06Å; L819-G821 PolarHBondContact O-N 3.08Å; L819-G821 VanDerWaalsContact O-N 3.1Å; G821-E823 PolarHBondContact O-N 3.11Å |
| 822 | L | 90.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -75.7 | 123.9 | -164.7 | -162.4 | 76.4 | 0 | 0 | 0 | 112.6 | L798 R799 I801 L819 D820 L825 M848 N850 L851 | L798-L822 HydrophobicContact CB-CD1 4.28Å; L798-L822 HydrophobicContact CG-CD1 4.09Å; L798-L822 VanDerWaalsContact O-CA 3.27Å; L798-L822 WeakPolarHBondContact O-CA 3.43Å; L798-L822 PolarHBondContact O-N 3.17Å; L798-L822 VanDerWaalsContact O-N 3.08Å; R799-L822 VanDerWaalsContact C-CD1 3.41Å; I801-L822 HydrophobicContact CB-CD1 4.44Å; I801-L822 HydrophobicContact CD1-CD1 3.86Å; I801-L822 HydrophobicContact CD1-CD2 3.95Å; I801-L822 HydrophobicContact CG1-CD1 3.77Å; I801-L822 HydrophobicContact CG1-CD2 4.43Å; L819-L822 HydrophobicContact CB-CB 4.26Å; L819-L822 HydrophobicContact CD1-CD2 4.35Å; L819-L822 VanDerWaalsContact O-CB 3.29Å; L819-L822 WeakPolarHBondContact O-CB 3.42Å; L819-L822 PolarHBondContact O-N 2.88Å; D820-L822 VanDerWaalsContact C-N 3.32Å; D820-L822 PolarHBondContact O-N 3.25Å; L822-L825 HydrophobicContact CD2-CB 4.37Å; L822-M848 HydrophobicContact CB-CB 4.3Å; L822-M848 HydrophobicContact CB-CG 4.29Å; L822-M848 HydrophobicContact CD2-CB 4.2Å; L822-M848 HydrophobicContact CD2-CG 3.76Å; L822-M848 HydrophobicContact CD2-SD 3.37Å; L822-M848 WeakPolarHBondContact CD2-SD 3.37Å; L822-N850 CarbonylContact O-C 3.31Å; L822-N850 VanDerWaalsContact O-O 3.13Å; L822-L851 HydrophobicContact CD2-CD1 4Å; L822-L851 HydrophobicContact CG-CD1 4.17Å; L822-L851 VanDerWaalsContact O-CA 3.28Å; L822-L851 WeakPolarHBondContact O-CA 3.32Å; L822-L851 PolarHBondContact O-N 3.08Å; L822-L851 VanDerWaalsContact O-N 3.12Å | ||
| 823 | E | 90.5 | Very high | 85.4 | Confident | 55.25 Ų | 55.25 | 34.4 Ų | 34.4 | 26% | 0.258 | 18% | 0.18 | S | C | . | . | trans | -108.7 | -28.8 | 179.5 | -58.6 | -168.6 | 149.5 | 0 | 0 | 112.5 | R799 G821 K852 Q853 R1272 | R799-E823 PolarHBondContact O-N 2.93Å; G821-E823 PolarHBondContact O-N 3.11Å; E823-K852 HydrophobicContact CB-CD 4.32Å; E823-K852 HydrophobicContact CB-CG 4.4Å; E823-K852 HydrophobicContact CG-CD 4.37Å; E823-K852 CarbonylContact O-C 3.29Å; E823-K852 WeakPolarHBondContact O-CA 3.21Å; E823-K852 WeakPolarHBondContact O-CB 3.32Å; E823-K852 PolarHBondContact O-N 3.12Å; E823-K852 IonicContact OE1-NZ 2.89Å; E823-K852 PolarHBondContact OE1-NZ 3.07Å; E823-K852 WeakPolarHBondContact OE2-CD 3.16Å; E823-K852 WeakPolarHBondContact OE2-CE 3.15Å; E823-K852 IonicContact OE2-NZ 2.76Å; E823-K852 PolarHBondContact OE2-NZ 3.15Å; E823-Q853 PolarHBondContact O-N 3.09Å; E823-R1272 IonicContact OE1-CZ 2.74Å; E823-R1272 IonicContact OE1-NH1 3.64Å; E823-R1272 PolarHBondContact OE1-NH1 3.47Å; E823-R1272 IonicContact OE1-NH2 2.8Å; E823-R1272 PolarHBondContact OE1-NH2 2.91Å; E823-R1272 IonicContact OE2-CZ 3.67Å; E823-R1272 IonicContact OE2-NE 2.85Å; E823-R1272 PolarHBondContact OE2-NE 3.37Å; E823-R1272 IonicContact OE2-NH1 3.57Å; E823-R1272 PolarHBondContact OE2-NH1 2.86Å; E823-R1272 IonicContact OE2-NH2 3.83Å; E823-R1272 PolarHBondContact OE2-NH2 3.03Å | ||
| 824 | T | 89.5 | Confident | 86 | Confident | 12.5 Ų | 12.5 | 31.2 Ų | 31.2 | 8% | 0.077 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 129 | -173.5 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | R799 L800 I801 F826 Q853 | R799-T824 PolarHBondContact O-N 3.01Å; L800-T824 WeakPolarHBondContact CA-O 3.26Å; L800-T824 HydrophobicContact CD1-CG2 4.16Å; L800-T824 HydrophobicContact CG-CG2 4.17Å; I801-T824 PolarHBondContact N-O 3.17Å; I801-T824 VanDerWaalsContact N-O 3.08Å; T824-F826 HydrophobicContact CG2-CD1 4.26Å; T824-F826 HydrophobicContact CG2-CD2 4.11Å; T824-F826 HydrophobicContact CG2-CE1 3.71Å; T824-F826 VanDerWaalsContact CG2-CE1 3.45Å; T824-F826 HydrophobicContact CG2-CE2 3.55Å; T824-F826 VanDerWaalsContact CG2-CE2 3.47Å; T824-F826 HydrophobicContact CG2-CG 4.41Å; T824-F826 HydrophobicContact CG2-CZ 3.33Å; T824-F826 VanDerWaalsContact CG2-CZ 3.44Å; T824-Q853 CarbonylContact C-O 3.05Å; T824-Q853 WeakPolarHBondContact CA-O 3.33Å; T824-Q853 HydrophobicContact CG2-CB 4.11Å; T824-Q853 PolarHBondContact OG1-OE1 3Å |
| 825 | L | 92.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 117.5 | 174.6 | 176.4 | 59.2 | 0 | 0 | 0 | 110.3 | I801 L803 F816 L822 L827 L845 M848 L851 Q853 L854 S855 | I801-L825 HydrophobicContact CB-CD1 3.83Å; I801-L825 HydrophobicContact CD1-CD1 4.41Å; I801-L825 HydrophobicContact CG2-CD1 3.82Å; I801-L825 CarbonylContact O-C 3.11Å; I801-L825 VanDerWaalsContact O-CA 3.31Å; I801-L825 WeakPolarHBondContact O-CA 3.39Å; L803-L825 HydrophobicContact CD1-CD1 4.28Å; F816-L825 HydrophobicContact CE1-CD1 4.17Å; F816-L825 HydrophobicContact CE1-CD2 4.19Å; F816-L825 HydrophobicContact CE2-CD2 4.21Å; F816-L825 HydrophobicContact CZ-CD1 4.27Å; F816-L825 HydrophobicContact CZ-CD2 4.29Å; L822-L825 HydrophobicContact CD2-CB 4.37Å; L825-L827 HydrophobicContact CD1-CD1 4.34Å; L825-L827 HydrophobicContact CD1-CG 4.17Å; L825-L827 HydrophobicContact CD2-CD1 3.87Å; L825-L827 HydrophobicContact CD2-CG 4.45Å; L825-L827 HydrophobicContact CG-CD1 4Å; L825-L827 HydrophobicContact CG-CG 4.17Å; L825-L845 HydrophobicContact CD2-CD2 4.17Å; L825-M848 HydrophobicContact CD2-CE 3.98Å; L825-M848 HydrophobicContact CD2-SD 3.87Å; L825-L851 HydrophobicContact CB-CD1 3.77Å; L825-L851 HydrophobicContact CB-CD2 4.36Å; L825-Q853 PolarHBondContact N-O 3.12Å; L825-L854 HydrophobicContact CB-CD1 4.17Å; L825-L854 HydrophobicContact CD2-CD1 4.02Å; L825-L854 HydrophobicContact CG-CD1 4.04Å; L825-L854 VanDerWaalsContact O-CA 3.27Å; L825-L854 WeakPolarHBondContact O-CA 3.33Å; L825-L854 WeakPolarHBondContact O-CD1 3.27Å; L825-S855 PolarHBondContact O-N 3.11Å; L825-S855 VanDerWaalsContact O-N 3.15Å |
| 826 | F | 92.7 | Very high | 85.6 | Confident | 14.75 Ų | 14.75 | 31.3 Ų | 31.3 | 7% | 0.065 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 123.7 | 173.7 | -55.2 | -55.8 | 0 | 0 | 0 | 110.6 | L800 I801 N802 L803 A804 T824 V1267 S1268 | L800-F826 HydrophobicContact CD1-CE2 4.22Å; L800-F826 HydrophobicContact CG-CE2 4.34Å; I801-F826 PolarHBondContact O-N 3.12Å; N802-F826 CarbonylContact C-O 3.4Å; N802-F826 HydrophobicContact CB-CB 4.37Å; N802-F826 HydrophobicContact CB-CD2 4.07Å; N802-F826 VanDerWaalsContact OD1-CB 3.31Å; N802-F826 WeakPolarHBondContact OD1-CB 3.37Å; L803-F826 CarbonylContact C-O 3.53Å; L803-F826 VanDerWaalsContact CA-O 3.32Å; L803-F826 WeakPolarHBondContact CA-O 3.39Å; L803-F826 WeakPolarHBondContact CB-O 3.25Å; L803-F826 PolarHBondContact N-O 3.15Å; A804-F826 HydrophobicContact CB-CB 4.4Å; A804-F826 PolarHBondContact N-O 3.06Å; T824-F826 HydrophobicContact CG2-CD1 4.26Å; T824-F826 HydrophobicContact CG2-CD2 4.11Å; T824-F826 HydrophobicContact CG2-CE1 3.71Å; T824-F826 VanDerWaalsContact CG2-CE1 3.45Å; T824-F826 HydrophobicContact CG2-CE2 3.55Å; T824-F826 VanDerWaalsContact CG2-CE2 3.47Å; T824-F826 HydrophobicContact CG2-CG 4.41Å; T824-F826 HydrophobicContact CG2-CZ 3.33Å; T824-F826 VanDerWaalsContact CG2-CZ 3.44Å; F826-V1267 HydrophobicContact CE1-CG1 4.17Å; F826-V1267 VanDerWaalsContact CE1-O 3.23Å; F826-V1267 WeakPolarHBondContact CE1-O 3.39Å; F826-V1267 HydrophobicContact CZ-CG1 4.5Å; F826-V1267 VanDerWaalsContact CZ-O 3.29Å; F826-V1267 WeakPolarHBondContact CZ-O 3.24Å; F826-S1268 WeakPolarHBondContact CE2-O 3.25Å; F826-S1268 WeakPolarHBondContact CZ-O 3.42Å |
| 827 | L | 91.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -129.5 | 16.2 | 177.9 | -74.8 | 164 | 0 | 0 | 0 | 111.3 | L803 I808 L811 L825 N830 I832 L854 S855 L856 N859 | L803-L827 HydrophobicContact CB-CD2 3.71Å; L803-L827 VanDerWaalsContact CB-CD2 3.5Å; L803-L827 HydrophobicContact CB-CG 4.2Å; L803-L827 HydrophobicContact CD1-CD2 3.96Å; L803-L827 HydrophobicContact CG-CD2 4.35Å; I808-L827 HydrophobicContact CD1-CD2 4.07Å; L811-L827 HydrophobicContact CD1-CD1 3.99Å; L811-L827 HydrophobicContact CD1-CD2 4.27Å; L811-L827 HydrophobicContact CD2-CD2 4.49Å; L825-L827 HydrophobicContact CD1-CD1 4.34Å; L825-L827 HydrophobicContact CD1-CG 4.17Å; L825-L827 HydrophobicContact CD2-CD1 3.87Å; L825-L827 HydrophobicContact CD2-CG 4.45Å; L825-L827 HydrophobicContact CG-CD1 4Å; L825-L827 HydrophobicContact CG-CG 4.17Å; L827-N830 WeakPolarHBondContact O-CB 3.29Å; L827-N830 PolarHBondContact O-ND2 3.07Å; L827-I832 HydrophobicContact CB-CD1 4.21Å; L827-I832 HydrophobicContact CD1-CD1 4.26Å; L827-I832 HydrophobicContact CD2-CD1 4.28Å; L827-I832 HydrophobicContact CG-CD1 4.43Å; L827-L854 HydrophobicContact CD1-CD1 4.33Å; L827-S855 CarbonylContact C-O 3.46Å; L827-S855 VanDerWaalsContact CA-O 3.28Å; L827-S855 WeakPolarHBondContact CA-O 3.24Å; L827-S855 WeakPolarHBondContact CB-O 3.42Å; L827-S855 PolarHBondContact N-O 3.41Å; L827-L856 HydrophobicContact CB-CD2 3.8Å; L827-L856 HydrophobicContact CD1-CD2 3.91Å; L827-L856 HydrophobicContact CG-CD2 4.49Å; L827-N859 PolarHBondContact O-ND2 2.97Å | ||
| 828 | G | 90.9 | Very high | 82.7 | Confident | 4 Ų | 4 | 39.8 Ų | 39.8 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | trans | -62.1 | 154 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | A804 N805 N830 S855 R857 | A804-G828 CarbonylContact C-O 3.42Å; A804-G828 WeakPolarHBondContact CA-O 3.31Å; A804-G828 WeakPolarHBondContact CB-O 3.25Å; N805-G828 PolarHBondContact N-O 2.92Å; G828-N830 PolarHBondContact O-ND2 2.94Å; G828-S855 PolarHBondContact N-O 2.97Å; G828-R857 CarbonylContact C-O 3.44Å; G828-R857 VanDerWaalsContact CA-O 3.23Å; G828-R857 WeakPolarHBondContact CA-O 3.27Å | ||
| 829 | N | 93.4 | Very high | 80.7 | Confident | 71.75 Ų | 71.75 | 40.5 Ų | 40.5 | 38% | 0.384 | 21% | 0.211 | S | C | . | . | S | Bend | trans | 52 | 65 | -176.5 | -58.3 | -61.7 | 0 | 0 | 0 | 112.2 | N805 N806 R857 A858 | N805-N829 CarbonylContact C-O 3.6Å; N805-N829 VanDerWaalsContact CA-O 3.32Å; N805-N829 WeakPolarHBondContact CA-O 3.17Å; N805-N829 HydrophobicContact CB-CB 4.49Å; N805-N829 PolarHBondContact N-O 3.17Å; N805-N829 VanDerWaalsContact OD1-CB 3.29Å; N805-N829 WeakPolarHBondContact OD1-CB 3.27Å; N805-N829 PolarHBondContact OD1-ND2 3Å; N806-N829 PolarHBondContact N-O 3.18Å; N806-N829 VanDerWaalsContact N-O 3.12Å; N829-R857 PolarHBondContact N-O 2.88Å; N829-A858 CarbonylContact C-O 3.56Å; N829-A858 VanDerWaalsContact CA-O 3.27Å; N829-A858 WeakPolarHBondContact CA-O 3.3Å; N829-A858 HydrophobicContact CB-CB 4.41Å; N829-A858 WeakPolarHBondContact OD1-CB 3.34Å |
| 830 | N | 91.6 | Very high | 78.3 | Confident | 11 Ų | 11 | 43.4 Ų | 43.4 | 6% | 0.059 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -136.4 | -163.9 | 178.7 | -89.9 | -71.1 | 0 | 0 | 0 | 110 | L803 N806 S807 I808 L827 G828 I832 A858 N859 | L803-N830 PolarHBondContact O-ND2 3.15Å; N806-N830 WeakPolarHBondContact CA-OD1 3.33Å; N806-N830 WeakPolarHBondContact CB-OD1 3.3Å; N806-N830 PolarHBondContact O-OD1 2.81Å; S807-N830 PolarHBondContact N-OD1 2.73Å; S807-N830 VanDerWaalsContact N-OD1 3.15Å; I808-N830 HydrophobicContact CB-CB 4.33Å; I808-N830 WeakPolarHBondContact CB-OD1 3.33Å; I808-N830 WeakPolarHBondContact CG1-OD1 3.36Å; I808-N830 PolarHBondContact N-OD1 3.08Å; L827-N830 WeakPolarHBondContact O-CB 3.29Å; L827-N830 PolarHBondContact O-ND2 3.07Å; G828-N830 PolarHBondContact O-ND2 2.94Å; N830-I832 HydrophobicContact CB-CD1 4.49Å; N830-I832 HydrophobicContact CB-CG1 4.36Å; N830-A858 PolarHBondContact N-O 3.03Å; N830-A858 VanDerWaalsContact N-O 3.12Å; N830-A858 VanDerWaalsContact O-O 3.1Å; N830-N859 VanDerWaalsContact C-OD1 3.23Å; N830-N859 WeakPolarHBondContact CA-OD1 3.27Å; N830-N859 WeakPolarHBondContact CB-OD1 3.33Å; N830-N859 PolarHBondContact O-OD1 3.04Å |
| 831 | K | 91.8 | Very high | 76.5 | Confident | 91.5 Ų | 91.5 | 45.9 Ų | 45.9 | 40% | 0.398 | 24% | 0.244 | S | C | . | . | trans | -123.4 | 21.3 | -175.7 | -65 | 170.9 | -178.9 | 157.6 | 0 | 112.9 | S807 I808 F809 A833 N859 | S807-K831 PolarHBondContact OG-NZ 3.1Å; I808-K831 CarbonylContact O-C 3.31Å; I808-K831 VanDerWaalsContact O-C 3.24Å; I808-K831 VanDerWaalsContact O-CA 3.26Å; I808-K831 WeakPolarHBondContact O-CA 3.4Å; I808-K831 WeakPolarHBondContact O-CB 3.46Å; I808-K831 PolarHBondContact O-N 3.17Å; F809-K831 HydrophobicContact CB-CB 3.99Å; K831-A833 PolarHBondContact O-N 3.12Å; K831-N859 PolarHBondContact N-OD1 3.13Å; K831-N859 VanDerWaalsContact N-OD1 3.12Å | ||
| 832 | I | 89.2 | Confident | 74.9 | Confident | 5.25 Ų | 5.25 | 50.6 Ų | 50.6 | 3% | 0.027 | 26% | 0.257 | C | S | . | . | trans | -68.4 | 118.6 | -177.3 | -56.5 | 168.5 | 0 | 0 | 0 | 108.4 | I808 L811 L827 N830 T834 M844 L856 N859 E860 L861 | I808-I832 HydrophobicContact CB-CG1 4.5Å; I808-I832 HydrophobicContact CG2-CD1 4.39Å; I808-I832 HydrophobicContact CG2-CG1 4.24Å; I808-I832 WeakPolarHBondContact O-CG1 3.09Å; I808-I832 PolarHBondContact O-N 3.09Å; I808-I832 VanDerWaalsContact O-N 3.08Å; L811-I832 HydrophobicContact CD1-CD1 3.85Å; L811-I832 HydrophobicContact CD1-CG1 4.47Å; L811-I832 HydrophobicContact CG-CD1 4.31Å; L827-I832 HydrophobicContact CB-CD1 4.21Å; L827-I832 HydrophobicContact CD1-CD1 4.26Å; L827-I832 HydrophobicContact CD2-CD1 4.28Å; L827-I832 HydrophobicContact CG-CD1 4.43Å; N830-I832 HydrophobicContact CB-CD1 4.49Å; N830-I832 HydrophobicContact CB-CG1 4.36Å; I832-T834 VanDerWaalsContact CG2-O 3.25Å; I832-T834 WeakPolarHBondContact CG2-O 3.3Å; I832-M844 HydrophobicContact CG2-SD 4.44Å; I832-L856 HydrophobicContact CD1-CD2 3.83Å; I832-N859 HydrophobicContact CB-CB 4.33Å; I832-N859 VanDerWaalsContact CB-OD1 3.28Å; I832-N859 WeakPolarHBondContact CB-OD1 3.3Å; I832-N859 VanDerWaalsContact CG1-OD1 3.31Å; I832-N859 WeakPolarHBondContact CG1-OD1 3.26Å; I832-N859 PolarHBondContact N-OD1 3.23Å; I832-N859 WeakPolarHBondContact O-CB 3.31Å; I832-E860 CarbonylContact O-C 3.36Å; I832-E860 VanDerWaalsContact O-C 3.31Å; I832-E860 WeakPolarHBondContact O-CA 3.09Å; I832-E860 PolarHBondContact O-N 2.83Å; I832-L861 HydrophobicContact CB-CD2 4.48Å; I832-L861 HydrophobicContact CG2-CD2 4.06Å; I832-L861 WeakPolarHBondContact O-CD2 3.1Å; I832-L861 PolarHBondContact O-N 3.15Å; I832-L861 VanDerWaalsContact O-N 3.08Å | ||
| 833 | A | 86.3 | Confident | 73.6 | Confident | 34 Ų | 34 | 51.5 Ų | 51.5 | 28% | 0.281 | 26% | 0.262 | S | S | . | . | trans | -96.9 | -17.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | K831 E860 L861 T862 K1248 | K831-A833 PolarHBondContact O-N 3.12Å; A833-E860 HydrophobicContact CB-CB 4.27Å; A833-L861 WeakPolarHBondContact O-CA 3.31Å; A833-T862 PolarHBondContact O-N 3.48Å; A833-K1248 WeakPolarHBondContact CB-O 3.41Å | ||
| 834 | T | 81.2 | Confident | 72.7 | Confident | 40.25 Ų | 40.25 | 49.9 Ų | 49.9 | 25% | 0.247 | 26% | 0.255 | C | S | . | . | trans | -151 | 148.1 | -178.8 | 69.5 | 0 | 0 | 0 | 0 | 111.5 | I832 D836 N1247 K1248 | I832-T834 VanDerWaalsContact CG2-O 3.25Å; I832-T834 WeakPolarHBondContact CG2-O 3.3Å; T834-D836 VanDerWaalsContact C-N 3.29Å; T834-D836 CarbonylContact C-O 3.54Å; T834-D836 VanDerWaalsContact CB-CG 3.48Å; T834-D836 WeakPolarHBondContact CB-O 3.27Å; T834-D836 VanDerWaalsContact CB-OD1 3.28Å; T834-D836 WeakPolarHBondContact CB-OD1 3.36Å; T834-D836 WeakPolarHBondContact CB-OD2 3.22Å; T834-D836 HydrophobicContact CG2-CB 4.35Å; T834-D836 WeakPolarHBondContact CG2-OD1 3.42Å; T834-D836 VanDerWaalsContact CG2-OD2 3.25Å; T834-D836 WeakPolarHBondContact CG2-OD2 3.28Å; T834-D836 PolarHBondContact OG1-N 3.02Å; T834-D836 PolarHBondContact OG1-O 2.97Å; T834-D836 PolarHBondContact OG1-OD2 3.42Å; T834-N1247 WeakPolarHBondContact OG1-CA 3.46Å; T834-K1248 HydrophobicContact CG2-CB 3.88Å; T834-K1248 PolarHBondContact OG1-N 2.77Å | ||
| 835 | I | 77.3 | Confident | 72.2 | Confident | 6.75 Ų | 6.75 | 49.3 Ų | 49.3 | 4% | 0.035 | 25% | 0.252 | C | S | . | . | trans | -102.7 | 21.5 | 165.3 | -42.8 | 173.5 | 0 | 0 | 0 | 108.8 | K837 M844 L856 L861 I864 A868 F869 L880 | I835-K837 WeakPolarHBondContact O-CE 3.38Å; I835-M844 HydrophobicContact CG1-CE 4.38Å; I835-M844 HydrophobicContact CG2-CB 4.47Å; I835-M844 HydrophobicContact CG2-CE 4.07Å; I835-M844 HydrophobicContact CG2-SD 4.48Å; I835-L856 HydrophobicContact CD1-CD1 3.7Å; I835-L856 VanDerWaalsContact CD1-CD1 3.49Å; I835-L856 HydrophobicContact CG1-CD1 4.29Å; I835-L856 HydrophobicContact CG2-CD1 4.46Å; I835-L861 HydrophobicContact CD1-CD1 4.08Å; I835-L861 HydrophobicContact CD1-CD2 4.49Å; I835-L861 HydrophobicContact CG1-CD1 4.1Å; I835-L861 HydrophobicContact CG1-CD2 3.82Å; I835-L861 HydrophobicContact CG1-CG 4.45Å; I835-I864 HydrophobicContact CD1-CD1 4Å; I835-A868 HydrophobicContact CB-CB 4.31Å; I835-A868 HydrophobicContact CG2-CB 4.16Å; I835-F869 HydrophobicContact CD1-CE1 3.83Å; I835-F869 HydrophobicContact CD1-CZ 3.66Å; I835-L880 HydrophobicContact CD1-CD2 4.19Å | ||
| 836 | D | 60.8 | Low | 71.5 | Confident | 30.75 Ų | 30.75 | 51 Ų | 51 | 16% | 0.164 | 27% | 0.266 | C | S | . | . | trans | -88.7 | 133.4 | -177.8 | -46.4 | -34.9 | 0 | 0 | 0 | 111.8 | T834 F838 K863 E865 A868 K1245 S1246 | T834-D836 VanDerWaalsContact C-N 3.29Å; T834-D836 CarbonylContact C-O 3.54Å; T834-D836 VanDerWaalsContact CB-CG 3.48Å; T834-D836 WeakPolarHBondContact CB-O 3.27Å; T834-D836 VanDerWaalsContact CB-OD1 3.28Å; T834-D836 WeakPolarHBondContact CB-OD1 3.36Å; T834-D836 WeakPolarHBondContact CB-OD2 3.22Å; T834-D836 HydrophobicContact CG2-CB 4.35Å; T834-D836 WeakPolarHBondContact CG2-OD1 3.42Å; T834-D836 VanDerWaalsContact CG2-OD2 3.25Å; T834-D836 WeakPolarHBondContact CG2-OD2 3.28Å; T834-D836 PolarHBondContact OG1-N 3.02Å; T834-D836 PolarHBondContact OG1-O 2.97Å; T834-D836 PolarHBondContact OG1-OD2 3.42Å; D836-F838 VanDerWaalsContact C-N 3.34Å; D836-F838 PolarHBondContact O-N 2.89Å; D836-F838 VanDerWaalsContact O-N 3.14Å; D836-K863 WeakPolarHBondContact OD1-CE 3.32Å; D836-K863 IonicContact OD1-NZ 3.28Å; D836-K863 PolarHBondContact OD1-NZ 3.02Å; D836-K863 WeakPolarHBondContact OD2-CE 3.46Å; D836-K863 IonicContact OD2-NZ 3.21Å; D836-K863 PolarHBondContact OD2-NZ 3.26Å; D836-E865 HydrophobicContact CB-CB 4.3Å; D836-E865 HydrophobicContact CB-CG 4.27Å; D836-E865 WeakPolarHBondContact OD2-CB 3.41Å; D836-E865 PolarHBondContact OD2-N 2.82Å; D836-A868 WeakPolarHBondContact OD1-CA 3.4Å; D836-A868 WeakPolarHBondContact OD1-CB 3.43Å; D836-K1245 HydrophobicContact CB-CB 3.54Å; D836-S1246 CarbonylContact C-O 3.47Å; D836-S1246 WeakPolarHBondContact CB-O 3.49Å; D836-S1246 VanDerWaalsContact CG-O 3.3Å; D836-S1246 WeakPolarHBondContact OD2-CA 3.24Å; D836-S1246 WeakPolarHBondContact OD2-CB 3.5Å; D836-S1246 PolarHBondContact OD2-N 3.1Å; D836-S1246 PolarHBondContact OD2-OG 2.84Å | ||
| 837 | K | 52.1 | Low | 70.8 | Confident | 79.25 Ų | 79.25 | 50.9 Ų | 50.9 | 35% | 0.345 | 27% | 0.269 | S | S | . | . | trans | -113.2 | 132.5 | 168.5 | -89.5 | 154.8 | -175.5 | -177.8 | 0 | 110.6 | I835 I839 E841 K842 D843 M844 E865 N867 Q1242 L1243 K1245 S1246 | I835-K837 WeakPolarHBondContact O-CE 3.38Å; K837-I839 PolarHBondContact O-N 2.98Å; K837-E841 VanDerWaalsContact CE-O 3.31Å; K837-E841 WeakPolarHBondContact CE-O 3.42Å; K837-E841 PolarHBondContact NZ-O 3.19Å; K837-E841 VanDerWaalsContact NZ-O 3.15Å; K837-K842 VanDerWaalsContact CA-O 3.31Å; K837-K842 WeakPolarHBondContact CA-O 3.42Å; K837-K842 WeakPolarHBondContact CG-O 3.46Å; K837-D843 WeakPolarHBondContact CE-OD1 3.42Å; K837-D843 WeakPolarHBondContact CE-OD2 3.46Å; K837-D843 HydrophobicContact CG-CB 4.47Å; K837-D843 IonicContact NZ-OD1 3.98Å; K837-D843 PolarHBondContact NZ-OD1 2.79Å; K837-D843 IonicContact NZ-OD2 2.78Å; K837-D843 PolarHBondContact NZ-OD2 2.73Å; K837-M844 HydrophobicContact CG-CB 4.21Å; K837-E865 IonicContact NZ-OE1 3.19Å; K837-E865 PolarHBondContact NZ-OE1 3.23Å; K837-N867 HydrophobicContact CD-CB 4.36Å; K837-Q1242 WeakPolarHBondContact CD-O 3.35Å; K837-L1243 CarbonylContact C-O 3.6Å; K837-L1243 HydrophobicContact CB-CD2 4.25Å; K837-L1243 WeakPolarHBondContact CB-O 3.29Å; K837-K1245 CarbonylContact O-C 3.13Å; K837-K1245 VanDerWaalsContact O-C 3.31Å; K837-K1245 WeakPolarHBondContact O-CA 3.22Å; K837-K1245 PolarHBondContact O-N 2.74Å; K837-S1246 CarbonylContact C-O 3.09Å; K837-S1246 PolarHBondContact N-O 2.7Å; K837-S1246 VanDerWaalsContact N-O 3.11Å; K837-S1246 CarbonylContact O-C 3.5Å; K837-S1246 WeakPolarHBondContact O-CA 3.35Å; K837-S1246 PolarHBondContact O-N 3.4Å | ||
| 838 | F | 43.7 | Very low | 70.5 | Confident | 142.75 Ų | 142.75 | 50.9 Ų | 50.9 | 63% | 0.626 | 27% | 0.269 | S | S | * | . | trans | -95.4 | 96 | 170 | -119.2 | -94 | 0 | 0 | 0 | 112.6 | D836 L1243 N1244 N1247 | D836-F838 VanDerWaalsContact C-N 3.34Å; D836-F838 PolarHBondContact O-N 2.89Å; D836-F838 VanDerWaalsContact O-N 3.14Å; F838-L1243 CarbonylContact C-O 3.59Å; F838-L1243 WeakPolarHBondContact CA-O 3.26Å; F838-L1243 PolarHBondContact N-O 3.36Å; F838-N1244 WeakPolarHBondContact CD2-OD1 2.76Å; F838-N1247 HydrophobicContact CB-CB 3.98Å; F838-N1247 HydrophobicContact CD1-CB 3.76Å; F838-N1247 VanDerWaalsContact CD1-N 3.35Å; F838-N1247 HydrophobicContact CG-CB 4.18Å | ||
| 839 | I | 35.3 | Very low | 70.3 | Confident | 136 Ų | 136 | 52.9 Ų | 52.9 | 70% | 0.697 | 28% | 0.281 | S | S | * | . | S | Bend | trans | 28.2 | 112.3 | 174.4 | -50.5 | 175.6 | 0 | 0 | 0 | 114.5 | K837 L1243 N1244 | K837-I839 PolarHBondContact O-N 2.98Å; I839-L1243 PolarHBondContact N-O 3.02Å; I839-L1243 VanDerWaalsContact N-O 3.1Å; I839-L1243 WeakPolarHBondContact O-CD1 3.41Å; I839-N1244 PolarHBondContact N-OD1 2.77Å |
| 840 | A | 35.4 | Very low | 70 | Confident | 61.25 Ų | 61.25 | 52.7 Ų | 52.7 | 51% | 0.506 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 82 | 69 | 173.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | K842 V1239 S1240 L1243 | A840-K842 VanDerWaalsContact C-N 3.28Å; A840-K842 PolarHBondContact O-N 3.17Å; A840-V1239 CarbonylContact C-O 2.96Å; A840-V1239 WeakPolarHBondContact CA-O 3.4Å; A840-V1239 HydrophobicContact CB-CG1 4.33Å; A840-V1239 WeakPolarHBondContact CB-O 3.32Å; A840-S1240 CarbonylContact C-O 3.09Å; A840-S1240 WeakPolarHBondContact CA-O 2.86Å; A840-S1240 PolarHBondContact N-O 2.8Å; A840-L1243 VanDerWaalsContact C-CB 3.44Å; A840-L1243 HydrophobicContact CB-CD1 3.87Å; A840-L1243 WeakPolarHBondContact O-CD1 3.21Å |
| 841 | E | 45.5 | Very low | 70 | Confident | 143.75 Ų | 143.75 | 52.2 Ų | 52.2 | 67% | 0.672 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 9.8 | 164.6 | -54.1 | -156.6 | 160 | 0 | 0 | 119.6 | K837 E1237 L1238 V1239 S1240 K1241 Q1242 L1243 | K837-E841 VanDerWaalsContact CE-O 3.31Å; K837-E841 WeakPolarHBondContact CE-O 3.42Å; K837-E841 PolarHBondContact NZ-O 3.19Å; K837-E841 VanDerWaalsContact NZ-O 3.15Å; E841-E1237 WeakPolarHBondContact CG-O 3.13Å; E841-E1237 VanDerWaalsContact OE1-O 3.12Å; E841-L1238 VanDerWaalsContact CB-O 3.23Å; E841-L1238 WeakPolarHBondContact CB-O 3.48Å; E841-L1238 WeakPolarHBondContact CG-O 3.41Å; E841-V1239 VanDerWaalsContact N-C 3.25Å; E841-V1239 PolarHBondContact N-O 2.84Å; E841-S1240 VanDerWaalsContact CG-C 3.49Å; E841-S1240 VanDerWaalsContact N-C 3.26Å; E841-S1240 PolarHBondContact N-O 2.79Å; E841-K1241 HydrophobicContact CG-CB 4.27Å; E841-Q1242 HydrophobicContact CB-CB 3.82Å; E841-Q1242 VanDerWaalsContact CD-N 3.35Å; E841-Q1242 HydrophobicContact CG-CB 4.21Å; E841-Q1242 VanDerWaalsContact CG-N 3.31Å; E841-Q1242 WeakPolarHBondContact OE2-CA 3.34Å; E841-Q1242 WeakPolarHBondContact OE2-CB 3.46Å; E841-Q1242 PolarHBondContact OE2-N 2.92Å; E841-L1243 VanDerWaalsContact CA-N 3.29Å |
| 842 | K | 50.1 | Low | 69.9 | Low | 121 Ų | 121 | 51.1 Ų | 51.1 | 53% | 0.526 | 27% | 0.273 | S | S | . | . | trans | -108.9 | 135.5 | 176.4 | -66.8 | 177.2 | -178.1 | 178.2 | 0 | 112.8 | F813 K837 A840 L1243 | F813-K842 HydrophobicContact CD2-CB 4.45Å; F813-K842 HydrophobicContact CD2-CD 4.46Å; F813-K842 HydrophobicContact CE2-CB 4.21Å; F813-K842 HydrophobicContact CE2-CD 3.99Å; K837-K842 VanDerWaalsContact CA-O 3.31Å; K837-K842 WeakPolarHBondContact CA-O 3.42Å; K837-K842 WeakPolarHBondContact CG-O 3.46Å; A840-K842 VanDerWaalsContact C-N 3.28Å; A840-K842 PolarHBondContact O-N 3.17Å; K842-L1243 HydrophobicContact CB-CG 4.21Å; K842-L1243 VanDerWaalsContact N-N 3.2Å; K842-L1243 WeakPolarHBondContact O-CA 3.18Å; K842-L1243 VanDerWaalsContact O-CB 3.3Å; K842-L1243 WeakPolarHBondContact O-CB 3.43Å; K842-L1243 WeakPolarHBondContact O-CD2 3.05Å; K842-L1243 WeakPolarHBondContact O-CG 3.43Å; K842-L1243 PolarHBondContact O-N 3.15Å | ||
| 843 | D | 64 | Low | 69.9 | Low | 19.25 Ų | 19.25 | 53.1 Ų | 53.1 | 10% | 0.103 | 28% | 0.282 | C | S | . | . | trans | -104 | 143 | -174.4 | -164.7 | -20.4 | 0 | 0 | 0 | 110.2 | K837 L845 A846 N871 Q1242 | K837-D843 WeakPolarHBondContact CE-OD1 3.42Å; K837-D843 WeakPolarHBondContact CE-OD2 3.46Å; K837-D843 HydrophobicContact CG-CB 4.47Å; K837-D843 IonicContact NZ-OD1 3.98Å; K837-D843 PolarHBondContact NZ-OD1 2.79Å; K837-D843 IonicContact NZ-OD2 2.78Å; K837-D843 PolarHBondContact NZ-OD2 2.73Å; D843-L845 PolarHBondContact O-N 3.11Å; D843-L845 VanDerWaalsContact O-N 3.17Å; D843-L845 PolarHBondContact OD1-N 3.21Å; D843-A846 HydrophobicContact CB-CB 4.2Å; D843-A846 VanDerWaalsContact O-CB 3.29Å; D843-A846 WeakPolarHBondContact O-CB 3.25Å; D843-A846 PolarHBondContact O-N 2.91Å; D843-A846 VanDerWaalsContact O-N 3.09Å; D843-N871 HydrophobicContact CB-CB 4.4Å; D843-N871 WeakPolarHBondContact CB-ND2 3.21Å; D843-N871 PolarHBondContact OD2-ND2 2.98Å; D843-Q1242 HydrophobicContact CB-CG 4.23Å | ||
| 844 | M | 72.2 | Confident | 70.2 | Confident | 21.25 Ų | 21.25 | 51.6 Ų | 51.6 | 11% | 0.105 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -29.7 | 174.4 | -173.1 | -169.7 | 80.9 | 0 | 0 | 112.9 | L811 I832 I835 K837 M848 | L811-M844 HydrophobicContact CB-CG 4.02Å; L811-M844 HydrophobicContact CB-SD 3.91Å; L811-M844 HydrophobicContact CD1-CE 4.15Å; L811-M844 HydrophobicContact CD1-CG 4.25Å; L811-M844 HydrophobicContact CD1-SD 3.57Å; L811-M844 VanDerWaalsContact CD1-SD 3.55Å; L811-M844 WeakPolarHBondContact CD1-SD 3.35Å; L811-M844 HydrophobicContact CG-SD 4.26Å; I832-M844 HydrophobicContact CG2-SD 4.44Å; I835-M844 HydrophobicContact CG1-CE 4.38Å; I835-M844 HydrophobicContact CG2-CB 4.47Å; I835-M844 HydrophobicContact CG2-CE 4.07Å; I835-M844 HydrophobicContact CG2-SD 4.48Å; K837-M844 HydrophobicContact CG-CB 4.21Å; M844-M848 WeakPolarHBondContact O-CE 3.43Å |
| 845 | L | 78.6 | Confident | 70.8 | Confident | 0.5 Ų | 0.5 | 49.8 Ų | 49.8 | 0% | 0.003 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 4.7 | -178.7 | -58.2 | 178.4 | 0 | 0 | 0 | 113.9 | L825 D843 G847 M848 L854 F869 V872 | L825-L845 HydrophobicContact CD2-CD2 4.17Å; D843-L845 PolarHBondContact O-N 3.11Å; D843-L845 VanDerWaalsContact O-N 3.17Å; D843-L845 PolarHBondContact OD1-N 3.21Å; L845-G847 VanDerWaalsContact C-N 3.31Å; L845-G847 PolarHBondContact O-N 3.04Å; L845-M848 HydrophobicContact CB-CE 4.35Å; L845-M848 HydrophobicContact CD2-CE 3.73Å; L845-M848 PolarHBondContact O-N 3.26Å; L845-L854 HydrophobicContact CD1-CD2 4.07Å; L845-L854 HydrophobicContact CD2-CD2 4.2Å; L845-F869 HydrophobicContact CD1-CD1 3.85Å; L845-F869 HydrophobicContact CD1-CE1 4.16Å; L845-V872 HydrophobicContact CB-CG1 3.93Å; L845-V872 HydrophobicContact CB-CG2 4.49Å; L845-V872 HydrophobicContact CD1-CG1 4.4Å; L845-V872 HydrophobicContact CD1-CG2 3.97Å |
| 846 | A | 77.5 | Confident | 71.5 | Confident | 37 Ų | 37 | 49.5 Ų | 49.5 | 31% | 0.306 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -22 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D843 M848 | D843-A846 HydrophobicContact CB-CB 4.2Å; D843-A846 VanDerWaalsContact O-CB 3.29Å; D843-A846 WeakPolarHBondContact O-CB 3.25Å; D843-A846 PolarHBondContact O-N 2.91Å; D843-A846 VanDerWaalsContact O-N 3.09Å; A846-M848 VanDerWaalsContact C-N 3.32Å; A846-M848 PolarHBondContact O-N 2.93Å |
| 847 | G | 77.2 | Confident | 73 | Confident | 12.25 Ų | 12.25 | 49.4 Ų | 49.4 | 13% | 0.126 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 2.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | F816 L819 L845 P849 | F816-G847 CarbonylContact O-C 3.47Å; F816-G847 VanDerWaalsContact O-C 3.27Å; F816-G847 VanDerWaalsContact O-CA 3.31Å; F816-G847 WeakPolarHBondContact O-CA 3.35Å; L819-G847 CarbonylContact C-O 3.43Å; L819-G847 WeakPolarHBondContact CA-O 3.29Å; L819-G847 WeakPolarHBondContact CB-O 3.21Å; L819-G847 PolarHBondContact N-O 3.01Å; L845-G847 VanDerWaalsContact C-N 3.31Å; L845-G847 PolarHBondContact O-N 3.04Å; G847-P849 VanDerWaalsContact C-CD 3.45Å; G847-P849 WeakPolarHBondContact O-CD 3.24Å |
| 848 | M | 87.3 | Confident | 75 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -128.2 | 54.3 | -172.5 | -60.5 | 173 | -71.9 | 0 | 0 | 112.9 | F816 L819 L822 L825 M844 L845 A846 N850 L851 V872 | F816-M848 HydrophobicContact CB-CE 3.78Å; F816-M848 HydrophobicContact CB-CG 3.88Å; F816-M848 HydrophobicContact CB-SD 3.57Å; F816-M848 WeakPolarHBondContact CB-SD 3.4Å; F816-M848 HydrophobicContact CD1-SD 4.05Å; F816-M848 HydrophobicContact CD2-CE 3.75Å; F816-M848 HydrophobicContact CD2-SD 4.14Å; F816-M848 HydrophobicContact CE2-CE 4.45Å; F816-M848 HydrophobicContact CG-CE 3.86Å; F816-M848 HydrophobicContact CG-CG 4.42Å; F816-M848 HydrophobicContact CG-SD 3.68Å; F816-M848 VanDerWaalsContact CG-SD 3.6Å; L819-M848 HydrophobicContact CB-CG 4.12Å; L819-M848 HydrophobicContact CD1-CG 4.39Å; L822-M848 HydrophobicContact CB-CB 4.3Å; L822-M848 HydrophobicContact CB-CG 4.29Å; L822-M848 HydrophobicContact CD2-CB 4.2Å; L822-M848 HydrophobicContact CD2-CG 3.76Å; L822-M848 HydrophobicContact CD2-SD 3.37Å; L822-M848 WeakPolarHBondContact CD2-SD 3.37Å; L825-M848 HydrophobicContact CD2-CE 3.98Å; L825-M848 HydrophobicContact CD2-SD 3.87Å; M844-M848 WeakPolarHBondContact O-CE 3.43Å; L845-M848 HydrophobicContact CB-CE 4.35Å; L845-M848 HydrophobicContact CD2-CE 3.73Å; L845-M848 PolarHBondContact O-N 3.26Å; A846-M848 VanDerWaalsContact C-N 3.32Å; A846-M848 PolarHBondContact O-N 2.93Å; M848-N850 VanDerWaalsContact C-N 3.28Å; M848-N850 PolarHBondContact O-N 3.15Å; M848-N850 VanDerWaalsContact O-N 3.12Å; M848-L851 HydrophobicContact CB-CB 4.26Å; M848-L851 VanDerWaalsContact O-CB 3.31Å; M848-L851 WeakPolarHBondContact O-CB 3.39Å; M848-L851 PolarHBondContact O-N 3.13Å; M848-L851 VanDerWaalsContact O-N 3.1Å; M848-L851 HydrophobicContact SD-CD2 4.48Å; M848-V872 HydrophobicContact CB-CG1 4.49Å | ||
| 849 | P | 85.2 | Confident | 77.3 | Confident | 45.5 Ų | 45.5 | 40.4 Ų | 40.4 | 30% | 0.295 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -21.7 | -166.3 | 25.7 | -36 | 0 | 0 | 0 | 115.5 | D820 G847 | D820-P849 WeakPolarHBondContact OD1-CD 3.34Å; D820-P849 VanDerWaalsContact OD1-CG 3.25Å; D820-P849 WeakPolarHBondContact OD1-CG 3.18Å; G847-P849 VanDerWaalsContact C-CD 3.45Å; G847-P849 WeakPolarHBondContact O-CD 3.24Å |
| 850 | N | 88.5 | Confident | 80 | Confident | 68 Ų | 68 | 36.3 Ų | 36.3 | 36% | 0.364 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 10.9 | -179 | -70.5 | -58.7 | 0 | 0 | 0 | 114.5 | D820 L822 M848 K852 L874 | D820-N850 WeakPolarHBondContact O-CB 3.29Å; D820-N850 PolarHBondContact O-ND2 3.11Å; L822-N850 CarbonylContact O-C 3.31Å; L822-N850 VanDerWaalsContact O-O 3.13Å; M848-N850 VanDerWaalsContact C-N 3.28Å; M848-N850 PolarHBondContact O-N 3.15Å; M848-N850 VanDerWaalsContact O-N 3.12Å; N850-K852 WeakPolarHBondContact O-CG 3.28Å; N850-K852 PolarHBondContact O-N 3.08Å; N850-L874 HydrophobicContact CB-CD1 4.42Å; N850-L874 VanDerWaalsContact OD1-CD1 3.23Å; N850-L874 WeakPolarHBondContact OD1-CD1 3.35Å |
| 851 | L | 90.2 | Very high | 82.6 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -61 | 125.4 | -177.4 | -168.7 | 71 | 0 | 0 | 0 | 112.1 | L822 L825 M848 Q853 L854 V872 L874 L875 | L822-L851 HydrophobicContact CD2-CD1 4Å; L822-L851 HydrophobicContact CG-CD1 4.17Å; L822-L851 VanDerWaalsContact O-CA 3.28Å; L822-L851 WeakPolarHBondContact O-CA 3.32Å; L822-L851 PolarHBondContact O-N 3.08Å; L822-L851 VanDerWaalsContact O-N 3.12Å; L825-L851 HydrophobicContact CB-CD1 3.77Å; L825-L851 HydrophobicContact CB-CD2 4.36Å; M848-L851 HydrophobicContact CB-CB 4.26Å; M848-L851 VanDerWaalsContact O-CB 3.31Å; M848-L851 WeakPolarHBondContact O-CB 3.39Å; M848-L851 PolarHBondContact O-N 3.13Å; M848-L851 VanDerWaalsContact O-N 3.1Å; M848-L851 HydrophobicContact SD-CD2 4.48Å; L851-Q853 WeakPolarHBondContact CD1-O 3.45Å; L851-L854 HydrophobicContact CD2-CB 4.15Å; L851-L854 HydrophobicContact CD2-CD1 4.39Å; L851-L854 HydrophobicContact CD2-CD2 4.41Å; L851-V872 HydrophobicContact CB-CB 4.3Å; L851-V872 HydrophobicContact CB-CG1 3.91Å; L851-V872 HydrophobicContact CD2-CB 4.43Å; L851-V872 HydrophobicContact CD2-CG1 3.98Å; L851-V872 HydrophobicContact CG-CG1 4.42Å; L851-L874 CarbonylContact O-C 3.28Å; L851-L874 VanDerWaalsContact O-C 3.25Å; L851-L875 HydrophobicContact CB-CD1 4.48Å; L851-L875 HydrophobicContact CD2-CD1 4.11Å; L851-L875 HydrophobicContact CG-CD1 4Å; L851-L875 VanDerWaalsContact O-CA 3.27Å; L851-L875 WeakPolarHBondContact O-CA 3.33Å; L851-L875 PolarHBondContact O-N 3.13Å | ||
| 852 | K | 90 | Very high | 84.8 | Confident | 68.75 Ų | 68.75 | 29.9 Ų | 29.9 | 30% | 0.299 | 16% | 0.162 | S | C | . | . | trans | -109.4 | -24.8 | -177.2 | -62.6 | 171.5 | -167.7 | 170 | 0 | 113.3 | E823 N850 L874 T876 T877 | E823-K852 HydrophobicContact CB-CD 4.32Å; E823-K852 HydrophobicContact CB-CG 4.4Å; E823-K852 HydrophobicContact CG-CD 4.37Å; E823-K852 CarbonylContact O-C 3.29Å; E823-K852 WeakPolarHBondContact O-CA 3.21Å; E823-K852 WeakPolarHBondContact O-CB 3.32Å; E823-K852 PolarHBondContact O-N 3.12Å; E823-K852 IonicContact OE1-NZ 2.89Å; E823-K852 PolarHBondContact OE1-NZ 3.07Å; E823-K852 WeakPolarHBondContact OE2-CD 3.16Å; E823-K852 WeakPolarHBondContact OE2-CE 3.15Å; E823-K852 IonicContact OE2-NZ 2.76Å; E823-K852 PolarHBondContact OE2-NZ 3.15Å; N850-K852 WeakPolarHBondContact O-CG 3.28Å; N850-K852 PolarHBondContact O-N 3.08Å; K852-L874 WeakPolarHBondContact CA-O 3.48Å; K852-L874 HydrophobicContact CG-CB 4.49Å; K852-T876 HydrophobicContact CB-CG2 4.47Å; K852-T876 WeakPolarHBondContact O-CA 3.3Å; K852-T876 PolarHBondContact O-N 3.11Å; K852-T876 PolarHBondContact O-OG1 3.13Å; K852-T877 PolarHBondContact O-N 3.16Å; K852-T877 VanDerWaalsContact O-N 3.07Å | ||
| 853 | Q | 90.1 | Very high | 86.6 | Confident | 47 Ų | 47 | 26.9 Ų | 26.9 | 22% | 0.22 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 127.5 | -178.2 | -60.2 | -178.2 | -39.3 | 0 | 0 | 110.7 | E823 T824 L825 L851 T877 L1270 D1271 | E823-Q853 PolarHBondContact O-N 3.09Å; T824-Q853 CarbonylContact C-O 3.05Å; T824-Q853 WeakPolarHBondContact CA-O 3.33Å; T824-Q853 HydrophobicContact CG2-CB 4.11Å; T824-Q853 PolarHBondContact OG1-OE1 3Å; L825-Q853 PolarHBondContact N-O 3.12Å; L851-Q853 WeakPolarHBondContact CD1-O 3.45Å; Q853-T877 WeakPolarHBondContact CA-O 3.38Å; Q853-L1270 PolarHBondContact NE2-O 3.46Å; Q853-D1271 PolarHBondContact NE2-O 3.09Å |
| 854 | L | 92.6 | Very high | 87.8 | Confident | 1.75 Ų | 1.75 | 26.1 Ų | 26.1 | 1% | 0.009 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 120 | 176.8 | 178.4 | 57.2 | 0 | 0 | 0 | 109.4 | L825 L827 L845 L851 L856 F869 L875 T877 L878 D879 | L825-L854 HydrophobicContact CB-CD1 4.17Å; L825-L854 HydrophobicContact CD2-CD1 4.02Å; L825-L854 HydrophobicContact CG-CD1 4.04Å; L825-L854 VanDerWaalsContact O-CA 3.27Å; L825-L854 WeakPolarHBondContact O-CA 3.33Å; L825-L854 WeakPolarHBondContact O-CD1 3.27Å; L827-L854 HydrophobicContact CD1-CD1 4.33Å; L845-L854 HydrophobicContact CD1-CD2 4.07Å; L845-L854 HydrophobicContact CD2-CD2 4.2Å; L851-L854 HydrophobicContact CD2-CB 4.15Å; L851-L854 HydrophobicContact CD2-CD1 4.39Å; L851-L854 HydrophobicContact CD2-CD2 4.41Å; L854-L856 HydrophobicContact CD1-CD1 4.33Å; L854-L856 HydrophobicContact CD1-CG 4.13Å; L854-L856 HydrophobicContact CD2-CD1 3.91Å; L854-L856 HydrophobicContact CG-CD1 4.06Å; L854-L856 HydrophobicContact CG-CG 4.2Å; L854-F869 HydrophobicContact CD2-CD1 4.31Å; L854-F869 HydrophobicContact CD2-CE1 4.14Å; L854-L875 HydrophobicContact CB-CD1 3.71Å; L854-L875 HydrophobicContact CB-CD2 4.17Å; L854-L875 HydrophobicContact CB-CG 4.48Å; L854-L875 HydrophobicContact CD2-CD2 4.45Å; L854-T877 PolarHBondContact N-O 3.15Å; L854-L878 HydrophobicContact CB-CD1 4.23Å; L854-L878 HydrophobicContact CD2-CD1 4.11Å; L854-L878 HydrophobicContact CG-CD1 4.15Å; L854-L878 CarbonylContact O-C 3.52Å; L854-L878 VanDerWaalsContact O-CA 3.32Å; L854-L878 WeakPolarHBondContact O-CA 3.29Å; L854-D879 PolarHBondContact O-N 3.09Å |
| 855 | S | 93 | Very high | 88.4 | Confident | 2.5 Ų | 2.5 | 27.3 Ų | 27.3 | 2% | 0.017 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 123.5 | 166 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | L825 L827 G828 R857 D879 | L825-S855 PolarHBondContact O-N 3.11Å; L825-S855 VanDerWaalsContact O-N 3.15Å; L827-S855 CarbonylContact C-O 3.46Å; L827-S855 VanDerWaalsContact CA-O 3.28Å; L827-S855 WeakPolarHBondContact CA-O 3.24Å; L827-S855 WeakPolarHBondContact CB-O 3.42Å; L827-S855 PolarHBondContact N-O 3.41Å; G828-S855 PolarHBondContact N-O 2.97Å; S855-R857 WeakPolarHBondContact OG-CB 3.42Å; S855-R857 PolarHBondContact OG-N 3.12Å; S855-D879 PolarHBondContact OG-OD2 2.75Å |
| 856 | L | 92 | Very high | 88.5 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -119.6 | 22.9 | 172.3 | -75.2 | 163.3 | 0 | 0 | 0 | 110 | L827 I832 I835 L854 N859 L861 D879 L880 N883 | L827-L856 HydrophobicContact CB-CD2 3.8Å; L827-L856 HydrophobicContact CD1-CD2 3.91Å; L827-L856 HydrophobicContact CG-CD2 4.49Å; I832-L856 HydrophobicContact CD1-CD2 3.83Å; I835-L856 HydrophobicContact CD1-CD1 3.7Å; I835-L856 VanDerWaalsContact CD1-CD1 3.49Å; I835-L856 HydrophobicContact CG1-CD1 4.29Å; I835-L856 HydrophobicContact CG2-CD1 4.46Å; L854-L856 HydrophobicContact CD1-CD1 4.33Å; L854-L856 HydrophobicContact CD1-CG 4.13Å; L854-L856 HydrophobicContact CD2-CD1 3.91Å; L854-L856 HydrophobicContact CG-CD1 4.06Å; L854-L856 HydrophobicContact CG-CG 4.2Å; L856-N859 WeakPolarHBondContact O-CB 3.45Å; L856-N859 PolarHBondContact O-ND2 3.11Å; L856-L861 HydrophobicContact CB-CD1 4.25Å; L856-L861 HydrophobicContact CD1-CD1 4.44Å; L856-D879 CarbonylContact C-O 3.33Å; L856-D879 WeakPolarHBondContact CA-O 3.29Å; L856-D879 PolarHBondContact N-O 3.04Å; L856-L880 HydrophobicContact CB-CD2 3.96Å; L856-L880 HydrophobicContact CD1-CD2 4.01Å; L856-N883 PolarHBondContact O-ND2 3.04Å | ||
| 857 | R | 92.9 | Very high | 88.5 | Confident | 30.25 Ų | 30.25 | 31.7 Ų | 31.7 | 11% | 0.114 | 17% | 0.17 | C | C | . | . | trans | -49.6 | 146.5 | 176.7 | -169.5 | 171.2 | -171.3 | 90.3 | 3 | 112.2 | G828 N829 S855 N859 D879 A881 D903 D1266 | G828-R857 CarbonylContact C-O 3.44Å; G828-R857 VanDerWaalsContact CA-O 3.23Å; G828-R857 WeakPolarHBondContact CA-O 3.27Å; N829-R857 PolarHBondContact N-O 2.88Å; S855-R857 WeakPolarHBondContact OG-CB 3.42Å; S855-R857 PolarHBondContact OG-N 3.12Å; R857-N859 VanDerWaalsContact C-N 3.32Å; R857-N859 PolarHBondContact O-N 3.15Å; R857-N859 PolarHBondContact O-ND2 2.96Å; R857-N859 VanDerWaalsContact O-ND2 3.08Å; R857-D879 WeakPolarHBondContact CB-OD2 3.33Å; R857-D879 WeakPolarHBondContact CD-OD2 3.29Å; R857-D879 PolarHBondContact N-O 2.96Å; R857-D879 IonicContact NH1-OD1 3.14Å; R857-D879 PolarHBondContact NH1-OD1 3.28Å; R857-D879 IonicContact NH1-OD2 3.16Å; R857-A881 CarbonylContact C-O 3.46Å; R857-A881 VanDerWaalsContact CA-O 3.29Å; R857-A881 WeakPolarHBondContact CA-O 3.32Å; R857-A881 HydrophobicContact CG-CB 4.24Å; R857-A881 VanDerWaalsContact NH1-CB 3.27Å; R857-D903 IonicContact CZ-OD2 2.67Å; R857-D903 IonicContact NH1-OD2 3.15Å; R857-D903 PolarHBondContact NH1-OD2 2.98Å; R857-D903 IonicContact NH2-OD2 2.66Å; R857-D1266 IonicContact NE-OD2 2.72Å | ||
| 858 | A | 93.6 | Very high | 88.7 | Confident | 25.25 Ų | 25.25 | 31.3 Ų | 31.3 | 21% | 0.209 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 49.7 | 51.5 | 172 | 0 | 0 | 0 | 0 | 0 | 113.3 | N829 N830 A881 S882 N883 | N829-A858 CarbonylContact C-O 3.56Å; N829-A858 VanDerWaalsContact CA-O 3.27Å; N829-A858 WeakPolarHBondContact CA-O 3.3Å; N829-A858 HydrophobicContact CB-CB 4.41Å; N829-A858 WeakPolarHBondContact OD1-CB 3.34Å; N830-A858 PolarHBondContact N-O 3.03Å; N830-A858 VanDerWaalsContact N-O 3.12Å; N830-A858 VanDerWaalsContact O-O 3.1Å; A858-A881 PolarHBondContact N-O 3.02Å; A858-S882 WeakPolarHBondContact CA-O 3.35Å; A858-N883 PolarHBondContact N-ND2 3.02Å |
| 859 | N | 91.6 | Very high | 88.7 | Confident | 6.5 Ų | 6.5 | 31.4 Ų | 31.4 | 4% | 0.035 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -113 | -170.3 | 171.7 | -87.4 | -87.8 | 0 | 0 | 0 | 109.6 | L827 N830 K831 I832 L856 R857 L861 N883 | L827-N859 PolarHBondContact O-ND2 2.97Å; N830-N859 VanDerWaalsContact C-OD1 3.23Å; N830-N859 WeakPolarHBondContact CA-OD1 3.27Å; N830-N859 WeakPolarHBondContact CB-OD1 3.33Å; N830-N859 PolarHBondContact O-OD1 3.04Å; K831-N859 PolarHBondContact N-OD1 3.13Å; K831-N859 VanDerWaalsContact N-OD1 3.12Å; I832-N859 HydrophobicContact CB-CB 4.33Å; I832-N859 VanDerWaalsContact CB-OD1 3.28Å; I832-N859 WeakPolarHBondContact CB-OD1 3.3Å; I832-N859 VanDerWaalsContact CG1-OD1 3.31Å; I832-N859 WeakPolarHBondContact CG1-OD1 3.26Å; I832-N859 PolarHBondContact N-OD1 3.23Å; I832-N859 WeakPolarHBondContact O-CB 3.31Å; L856-N859 WeakPolarHBondContact O-CB 3.45Å; L856-N859 PolarHBondContact O-ND2 3.11Å; R857-N859 VanDerWaalsContact C-N 3.32Å; R857-N859 PolarHBondContact O-N 3.15Å; R857-N859 PolarHBondContact O-ND2 2.96Å; R857-N859 VanDerWaalsContact O-ND2 3.08Å; N859-L861 HydrophobicContact CB-CG 4.36Å; N859-N883 VanDerWaalsContact CA-OD1 3.27Å; N859-N883 WeakPolarHBondContact CA-OD1 3.2Å; N859-N883 WeakPolarHBondContact CB-OD1 3.24Å; N859-N883 PolarHBondContact N-ND2 3.5Å; N859-N883 PolarHBondContact N-OD1 3.08Å; N859-N883 WeakPolarHBondContact O-CA 3.15Å; N859-N883 PolarHBondContact O-OD1 2.87Å; N859-N883 VanDerWaalsContact O-OD1 3.09Å |
| 860 | E | 92.3 | Very high | 88.7 | Confident | 50.75 Ų | 50.75 | 31.4 Ų | 31.4 | 24% | 0.237 | 16% | 0.164 | C | C | . | . | trans | -103.7 | 17.9 | -178.7 | -58.3 | -157.2 | 151.6 | 0 | 0 | 113.2 | I832 A833 T862 N883 R884 R1251 | I832-E860 CarbonylContact O-C 3.36Å; I832-E860 VanDerWaalsContact O-C 3.31Å; I832-E860 WeakPolarHBondContact O-CA 3.09Å; I832-E860 PolarHBondContact O-N 2.83Å; A833-E860 HydrophobicContact CB-CB 4.27Å; E860-T862 PolarHBondContact O-N 3.2Å; E860-N883 PolarHBondContact N-OD1 3.4Å; E860-R884 IonicContact OE1-CZ 2.96Å; E860-R884 IonicContact OE1-NH1 2.76Å; E860-R884 PolarHBondContact OE1-NH1 3.21Å; E860-R884 IonicContact OE1-NH2 3.31Å; E860-R884 PolarHBondContact OE1-NH2 3.02Å; E860-R884 IonicContact OE2-CZ 3.17Å; E860-R884 IonicContact OE2-NH1 3.15Å; E860-R884 PolarHBondContact OE2-NH1 3.22Å; E860-R884 IonicContact OE2-NH2 3.29Å; E860-R884 PolarHBondContact OE2-NH2 3.13Å; E860-R1251 PolarHBondContact OE1-N 3.02Å; E860-R1251 PolarHBondContact OE2-N 3.14Å | ||
| 861 | L | 91.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -58.1 | 126.1 | -174.8 | -60.1 | 175.9 | 0 | 0 | 0 | 111.5 | I832 A833 I835 L856 N859 I864 L880 N883 R884 I885 | I832-L861 HydrophobicContact CB-CD2 4.48Å; I832-L861 HydrophobicContact CG2-CD2 4.06Å; I832-L861 WeakPolarHBondContact O-CD2 3.1Å; I832-L861 PolarHBondContact O-N 3.15Å; I832-L861 VanDerWaalsContact O-N 3.08Å; A833-L861 WeakPolarHBondContact O-CA 3.31Å; I835-L861 HydrophobicContact CD1-CD1 4.08Å; I835-L861 HydrophobicContact CD1-CD2 4.49Å; I835-L861 HydrophobicContact CG1-CD1 4.1Å; I835-L861 HydrophobicContact CG1-CD2 3.82Å; I835-L861 HydrophobicContact CG1-CG 4.45Å; L856-L861 HydrophobicContact CB-CD1 4.25Å; L856-L861 HydrophobicContact CD1-CD1 4.44Å; N859-L861 HydrophobicContact CB-CG 4.36Å; L861-I864 HydrophobicContact CD1-CD1 4.42Å; L861-L880 HydrophobicContact CD1-CD2 3.61Å; L861-L880 VanDerWaalsContact CD1-CD2 3.49Å; L861-N883 HydrophobicContact CB-CB 4.15Å; L861-N883 VanDerWaalsContact CB-OD1 3.27Å; L861-N883 WeakPolarHBondContact CB-OD1 3.35Å; L861-N883 VanDerWaalsContact CG-OD1 3.27Å; L861-N883 WeakPolarHBondContact CG-OD1 3.27Å; L861-N883 PolarHBondContact N-OD1 3.24Å; L861-N883 VanDerWaalsContact N-OD1 3.12Å; L861-R884 CarbonylContact O-C 3.41Å; L861-R884 VanDerWaalsContact O-CA 3.27Å; L861-R884 WeakPolarHBondContact O-CA 3.31Å; L861-R884 WeakPolarHBondContact O-CB 3.22Å; L861-R884 PolarHBondContact O-N 3.1Å; L861-I885 HydrophobicContact CB-CD1 4.32Å; L861-I885 HydrophobicContact CB-CG1 4.02Å; L861-I885 WeakPolarHBondContact O-CA 3.27Å; L861-I885 VanDerWaalsContact O-CG1 3.31Å; L861-I885 WeakPolarHBondContact O-CG1 3.44Å; L861-I885 PolarHBondContact O-N 3.12Å; L861-I885 VanDerWaalsContact O-N 3.16Å | ||
| 862 | T | 90.5 | Very high | 88.2 | Confident | 70 Ų | 70 | 31 Ų | 31 | 43% | 0.429 | 16% | 0.161 | S | C | . | . | trans | -104.9 | -21.8 | -176.8 | 50.8 | 0 | 0 | 0 | 0 | 114.6 | A833 E860 R884 I885 A886 | A833-T862 PolarHBondContact O-N 3.48Å; E860-T862 PolarHBondContact O-N 3.2Å; T862-R884 HydrophobicContact CG2-CB 4.25Å; T862-I885 WeakPolarHBondContact O-CA 3.43Å; T862-A886 PolarHBondContact O-N 3.11Å | ||
| 863 | K | 89.1 | Confident | 88.1 | Confident | 59.25 Ų | 59.25 | 30.3 Ų | 30.3 | 26% | 0.258 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 160.3 | 179.8 | 55.2 | 164.9 | -172.8 | 157.9 | 0 | 109.9 | D836 E865 S887 | D836-K863 WeakPolarHBondContact OD1-CE 3.32Å; D836-K863 IonicContact OD1-NZ 3.28Å; D836-K863 PolarHBondContact OD1-NZ 3.02Å; D836-K863 WeakPolarHBondContact OD2-CE 3.46Å; D836-K863 IonicContact OD2-NZ 3.21Å; D836-K863 PolarHBondContact OD2-NZ 3.26Å; K863-E865 HydrophobicContact CD-CG 4.2Å; K863-E865 WeakPolarHBondContact CE-OE1 3.48Å; K863-E865 VanDerWaalsContact NZ-CD 3.31Å; K863-E865 IonicContact NZ-OE1 3.08Å; K863-E865 PolarHBondContact NZ-OE1 3.21Å; K863-S887 VanDerWaalsContact CA-O 3.28Å; K863-S887 WeakPolarHBondContact CA-O 3.28Å; K863-S887 WeakPolarHBondContact CB-OG 3.37Å |
| 864 | I | 89.1 | Confident | 88 | Confident | 2.25 Ų | 2.25 | 30.8 Ų | 30.8 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 125.1 | 166 | -56.5 | -84.2 | 0 | 0 | 0 | 108 | I835 L861 A868 F869 L880 I885 S887 L888 Q889 A892 F893 | I835-I864 HydrophobicContact CD1-CD1 4Å; L861-I864 HydrophobicContact CD1-CD1 4.42Å; I864-A868 HydrophobicContact CG2-CB 4.05Å; I864-F869 HydrophobicContact CD1-CZ 4.48Å; I864-F869 HydrophobicContact CG2-CD2 4.49Å; I864-F869 HydrophobicContact CG2-CE2 3.75Å; I864-F869 HydrophobicContact CG2-CZ 4.46Å; I864-L880 HydrophobicContact CD1-CD1 4.05Å; I864-L880 VanDerWaalsContact CD1-CD1 3.43Å; I864-L880 HydrophobicContact CD1-CD2 4.24Å; I864-L880 HydrophobicContact CD1-CG 4.35Å; I864-L880 HydrophobicContact CG1-CD1 4.37Å; I864-I885 HydrophobicContact CD1-CD1 4Å; I864-I885 HydrophobicContact CG1-CD1 4.09Å; I864-I885 HydrophobicContact CG1-CG2 4.14Å; I864-S887 PolarHBondContact N-O 3.15Å; I864-S887 VanDerWaalsContact N-O 3.12Å; I864-L888 HydrophobicContact CB-CD2 3.91Å; I864-L888 HydrophobicContact CD1-CD2 4.06Å; I864-L888 HydrophobicContact CG1-CD2 3.52Å; I864-Q889 PolarHBondContact O-N 3.01Å; I864-A892 HydrophobicContact CG2-CB 3.95Å; I864-F893 HydrophobicContact CD1-CE1 4.39Å; I864-F893 HydrophobicContact CD1-CZ 4.2Å; I864-F893 HydrophobicContact CG2-CZ 4.38Å |
| 865 | E | 83.6 | Confident | 87.9 | Confident | 45 Ų | 45 | 30.8 Ų | 30.8 | 21% | 0.21 | 17% | 0.168 | C | C | . | . | trans | -85.9 | 156.9 | 179.9 | -61.5 | -160 | 166.2 | 0 | 0 | 112.8 | D836 K837 K863 N867 A868 K1245 | D836-E865 HydrophobicContact CB-CB 4.3Å; D836-E865 HydrophobicContact CB-CG 4.27Å; D836-E865 WeakPolarHBondContact OD2-CB 3.41Å; D836-E865 PolarHBondContact OD2-N 2.82Å; K837-E865 IonicContact NZ-OE1 3.19Å; K837-E865 PolarHBondContact NZ-OE1 3.23Å; K863-E865 HydrophobicContact CD-CG 4.2Å; K863-E865 WeakPolarHBondContact CE-OE1 3.48Å; K863-E865 VanDerWaalsContact NZ-CD 3.31Å; K863-E865 IonicContact NZ-OE1 3.08Å; K863-E865 PolarHBondContact NZ-OE1 3.21Å; E865-N867 PolarHBondContact O-N 3.06Å; E865-A868 VanDerWaalsContact O-CB 3.26Å; E865-A868 WeakPolarHBondContact O-CB 3.4Å; E865-A868 PolarHBondContact O-N 3.01Å; E865-A868 VanDerWaalsContact O-N 3.14Å; E865-K1245 VanDerWaalsContact OE2-CD 3.29Å; E865-K1245 WeakPolarHBondContact OE2-CD 3.2Å; E865-K1245 VanDerWaalsContact OE2-CE 3.3Å; E865-K1245 WeakPolarHBondContact OE2-CE 3.43Å; E865-K1245 IonicContact OE2-NZ 2.73Å; E865-K1245 PolarHBondContact OE2-NZ 2.6Å | ||
| 866 | T | 81.7 | Confident | 87.6 | Confident | 54.5 Ų | 54.5 | 32.7 Ų | 32.7 | 33% | 0.334 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -3.6 | -177.7 | -46.4 | 0 | 0 | 0 | 0 | 113.4 | Q889 K890 A892 | T866-Q889 WeakPolarHBondContact OG1-CB 3.27Å; T866-Q889 PolarHBondContact OG1-OE1 3.06Å; T866-K890 WeakPolarHBondContact CB-O 3.4Å; T866-K890 VanDerWaalsContact CG2-O 3.22Å; T866-K890 WeakPolarHBondContact CG2-O 3.28Å; T866-K890 PolarHBondContact OG1-O 2.94Å; T866-A892 WeakPolarHBondContact O-CA 3.45Å |
| 867 | N | 78 | Confident | 87.3 | Confident | 75.75 Ų | 75.75 | 33.4 Ų | 33.4 | 41% | 0.405 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -130.1 | 7.6 | -173.9 | -61.2 | -72.4 | 0 | 0 | 0 | 114.6 | K837 E865 F869 N870 | K837-N867 HydrophobicContact CD-CB 4.36Å; E865-N867 PolarHBondContact O-N 3.06Å; N867-F869 PolarHBondContact O-N 3.15Å; N867-F869 VanDerWaalsContact O-N 3.13Å; N867-N870 VanDerWaalsContact CA-OD1 3.29Å; N867-N870 WeakPolarHBondContact CA-OD1 3.28Å; N867-N870 HydrophobicContact CB-CB 4.25Å; N867-N870 VanDerWaalsContact CB-CG 3.48Å; N867-N870 VanDerWaalsContact CB-ND2 3.28Å; N867-N870 WeakPolarHBondContact CB-ND2 3.34Å; N867-N870 VanDerWaalsContact CG-ND2 3.26Å; N867-N870 VanDerWaalsContact O-CB 3.28Å; N867-N870 WeakPolarHBondContact O-CB 3.34Å; N867-N870 VanDerWaalsContact O-CG 3.27Å; N867-N870 PolarHBondContact O-N 3.08Å; N867-N870 PolarHBondContact OD1-ND2 2.81Å |
| 868 | A | 81.1 | Confident | 87.3 | Confident | 4 Ų | 4 | 32 Ų | 32 | 3% | 0.033 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -20.6 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | I835 D836 I864 E865 | I835-A868 HydrophobicContact CB-CB 4.31Å; I835-A868 HydrophobicContact CG2-CB 4.16Å; D836-A868 WeakPolarHBondContact OD1-CA 3.4Å; D836-A868 WeakPolarHBondContact OD1-CB 3.43Å; I864-A868 HydrophobicContact CG2-CB 4.05Å; E865-A868 VanDerWaalsContact O-CB 3.26Å; E865-A868 WeakPolarHBondContact O-CB 3.4Å; E865-A868 PolarHBondContact O-N 3.01Å; E865-A868 VanDerWaalsContact O-N 3.14Å |
| 869 | F | 87.3 | Confident | 87.2 | Confident | 1.5 Ų | 1.5 | 30.8 Ų | 30.8 | 1% | 0.007 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | 16 | -179.2 | -54.3 | -70.1 | 0 | 0 | 0 | 113.5 | I835 L845 L854 I864 N867 N871 V872 L878 L880 F893 L896 | I835-F869 HydrophobicContact CD1-CE1 3.83Å; I835-F869 HydrophobicContact CD1-CZ 3.66Å; L845-F869 HydrophobicContact CD1-CD1 3.85Å; L845-F869 HydrophobicContact CD1-CE1 4.16Å; L854-F869 HydrophobicContact CD2-CD1 4.31Å; L854-F869 HydrophobicContact CD2-CE1 4.14Å; I864-F869 HydrophobicContact CD1-CZ 4.48Å; I864-F869 HydrophobicContact CG2-CD2 4.49Å; I864-F869 HydrophobicContact CG2-CE2 3.75Å; I864-F869 HydrophobicContact CG2-CZ 4.46Å; N867-F869 PolarHBondContact O-N 3.15Å; N867-F869 VanDerWaalsContact O-N 3.13Å; F869-N871 VanDerWaalsContact C-N 3.25Å; F869-N871 PolarHBondContact O-N 3.12Å; F869-N871 VanDerWaalsContact O-N 3.15Å; F869-V872 HydrophobicContact CB-CG2 3.95Å; F869-V872 HydrophobicContact CD1-CG2 4.32Å; F869-V872 WeakPolarHBondContact O-CG2 3.4Å; F869-V872 PolarHBondContact O-N 3.04Å; F869-V872 VanDerWaalsContact O-N 3.14Å; F869-L878 HydrophobicContact CD1-CD2 4.34Å; F869-L878 HydrophobicContact CD2-CD2 4.28Å; F869-L878 HydrophobicContact CE1-CD1 4.09Å; F869-L878 HydrophobicContact CE1-CD2 4.07Å; F869-L878 HydrophobicContact CE2-CD2 3.82Å; F869-L878 HydrophobicContact CG-CD2 4.46Å; F869-L878 HydrophobicContact CZ-CD1 4.2Å; F869-L878 HydrophobicContact CZ-CD2 3.72Å; F869-L878 HydrophobicContact CZ-CG 4.48Å; F869-L880 HydrophobicContact CZ-CD1 4.26Å; F869-L880 HydrophobicContact CZ-CD2 4.47Å; F869-F893 HydrophobicContact CD2-CD1 4.16Å; F869-F893 HydrophobicContact CD2-CE1 4.22Å; F869-F893 HydrophobicContact CE2-CD1 4.21Å; F869-F893 AromaticContact CE2-CE1 3.8Å; F869-F893 HydrophobicContact CE2-CE1 3.8Å; F869-F893 HydrophobicContact CE2-CZ 4.5Å; F869-L896 HydrophobicContact CB-CD1 3.9Å; F869-L896 HydrophobicContact CB-CD2 3.93Å; F869-L896 HydrophobicContact CB-CG 4.11Å; F869-L896 HydrophobicContact CD2-CD1 4.27Å; F869-L896 HydrophobicContact CG-CD1 4.13Å |
| 870 | N | 83.9 | Confident | 87.3 | Confident | 47 Ų | 47 | 30.5 Ų | 30.5 | 25% | 0.251 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -28.9 | -172.6 | -84.4 | 8.8 | 0 | 0 | 0 | 114.5 | N867 K895 | N867-N870 VanDerWaalsContact CA-OD1 3.29Å; N867-N870 WeakPolarHBondContact CA-OD1 3.28Å; N867-N870 HydrophobicContact CB-CB 4.25Å; N867-N870 VanDerWaalsContact CB-CG 3.48Å; N867-N870 VanDerWaalsContact CB-ND2 3.28Å; N867-N870 WeakPolarHBondContact CB-ND2 3.34Å; N867-N870 VanDerWaalsContact CG-ND2 3.26Å; N867-N870 VanDerWaalsContact O-CB 3.28Å; N867-N870 WeakPolarHBondContact O-CB 3.34Å; N867-N870 VanDerWaalsContact O-CG 3.27Å; N867-N870 PolarHBondContact O-N 3.08Å; N867-N870 PolarHBondContact OD1-ND2 2.81Å; N870-K895 HydrophobicContact CB-CG 4.28Å; N870-K895 VanDerWaalsContact OD1-CG 3.31Å; N870-K895 WeakPolarHBondContact OD1-CG 3.32Å |
| 871 | N | 81.6 | Confident | 87.3 | Confident | 58.25 Ų | 58.25 | 28.1 Ų | 28.1 | 31% | 0.311 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -0.7 | -177.3 | -61.2 | -61.7 | 0 | 0 | 0 | 113.9 | D843 F869 P873 Q1242 | D843-N871 HydrophobicContact CB-CB 4.4Å; D843-N871 WeakPolarHBondContact CB-ND2 3.21Å; D843-N871 PolarHBondContact OD2-ND2 2.98Å; F869-N871 VanDerWaalsContact C-N 3.25Å; F869-N871 PolarHBondContact O-N 3.12Å; F869-N871 VanDerWaalsContact O-N 3.15Å; N871-P873 VanDerWaalsContact O-CD 3.26Å; N871-P873 WeakPolarHBondContact O-CD 3.3Å; N871-Q1242 VanDerWaalsContact ND2-CD 3.28Å; N871-Q1242 PolarHBondContact ND2-NE2 3.34Å; N871-Q1242 PolarHBondContact ND2-OE1 2.94Å; N871-Q1242 PolarHBondContact OD1-NE2 2.94Å |
| 872 | V | 87.1 | Confident | 87.5 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -120.9 | 55.5 | 177.4 | -68.2 | 0 | 0 | 0 | 0 | 111.6 | L845 M848 L851 F869 L874 L875 L896 | L845-V872 HydrophobicContact CB-CG1 3.93Å; L845-V872 HydrophobicContact CB-CG2 4.49Å; L845-V872 HydrophobicContact CD1-CG1 4.4Å; L845-V872 HydrophobicContact CD1-CG2 3.97Å; M848-V872 HydrophobicContact CB-CG1 4.49Å; L851-V872 HydrophobicContact CB-CB 4.3Å; L851-V872 HydrophobicContact CB-CG1 3.91Å; L851-V872 HydrophobicContact CD2-CB 4.43Å; L851-V872 HydrophobicContact CD2-CG1 3.98Å; L851-V872 HydrophobicContact CG-CG1 4.42Å; F869-V872 HydrophobicContact CB-CG2 3.95Å; F869-V872 HydrophobicContact CD1-CG2 4.32Å; F869-V872 WeakPolarHBondContact O-CG2 3.4Å; F869-V872 PolarHBondContact O-N 3.04Å; F869-V872 VanDerWaalsContact O-N 3.14Å; V872-L874 PolarHBondContact O-N 3.07Å; V872-L874 VanDerWaalsContact O-N 3.13Å; V872-L875 HydrophobicContact CG2-CD2 4.37Å; V872-L875 VanDerWaalsContact O-CB 3.24Å; V872-L875 WeakPolarHBondContact O-CB 3.31Å; V872-L875 PolarHBondContact O-N 2.99Å; V872-L875 VanDerWaalsContact O-N 3.11Å; V872-L896 HydrophobicContact CG2-CD2 4.47Å; V872-L896 VanDerWaalsContact O-CD2 3.28Å; V872-L896 WeakPolarHBondContact O-CD2 3.31Å | ||
| 873 | P | 87.2 | Confident | 87.6 | Confident | 54.5 Ų | 54.5 | 26.9 Ų | 26.9 | 35% | 0.354 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -19.5 | -170.1 | 28.8 | -37.2 | 0 | 0 | 0 | 114.5 | N871 L875 | N871-P873 VanDerWaalsContact O-CD 3.26Å; N871-P873 WeakPolarHBondContact O-CD 3.3Å; P873-L875 VanDerWaalsContact C-N 3.28Å; P873-L875 PolarHBondContact O-N 3.09Å |
| 874 | L | 89.1 | Confident | 87.8 | Confident | 58.5 Ų | 58.5 | 29.3 Ų | 29.3 | 31% | 0.306 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 10.6 | -179.5 | -62.4 | 177.5 | 0 | 0 | 0 | 113.5 | N850 L851 K852 V872 T876 | N850-L874 HydrophobicContact CB-CD1 4.42Å; N850-L874 VanDerWaalsContact OD1-CD1 3.23Å; N850-L874 WeakPolarHBondContact OD1-CD1 3.35Å; L851-L874 CarbonylContact O-C 3.28Å; L851-L874 VanDerWaalsContact O-C 3.25Å; K852-L874 WeakPolarHBondContact CA-O 3.48Å; K852-L874 HydrophobicContact CG-CB 4.49Å; V872-L874 PolarHBondContact O-N 3.07Å; V872-L874 VanDerWaalsContact O-N 3.13Å; L874-T876 WeakPolarHBondContact O-CG2 3.37Å; L874-T876 PolarHBondContact O-N 3.1Å; L874-T876 VanDerWaalsContact O-N 3.12Å |
| 875 | L | 89.6 | Confident | 88.1 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -69.5 | 110.3 | -176.3 | -161.4 | 75.2 | 0 | 0 | 0 | 112 | L851 L854 V872 P873 L878 L896 L899 | L851-L875 HydrophobicContact CB-CD1 4.48Å; L851-L875 HydrophobicContact CD2-CD1 4.11Å; L851-L875 HydrophobicContact CG-CD1 4Å; L851-L875 VanDerWaalsContact O-CA 3.27Å; L851-L875 WeakPolarHBondContact O-CA 3.33Å; L851-L875 PolarHBondContact O-N 3.13Å; L854-L875 HydrophobicContact CB-CD1 3.71Å; L854-L875 HydrophobicContact CB-CD2 4.17Å; L854-L875 HydrophobicContact CB-CG 4.48Å; L854-L875 HydrophobicContact CD2-CD2 4.45Å; V872-L875 HydrophobicContact CG2-CD2 4.37Å; V872-L875 VanDerWaalsContact O-CB 3.24Å; V872-L875 WeakPolarHBondContact O-CB 3.31Å; V872-L875 PolarHBondContact O-N 2.99Å; V872-L875 VanDerWaalsContact O-N 3.11Å; P873-L875 VanDerWaalsContact C-N 3.28Å; P873-L875 PolarHBondContact O-N 3.09Å; L875-L878 HydrophobicContact CD2-CB 3.86Å; L875-L878 HydrophobicContact CD2-CD1 4.08Å; L875-L878 HydrophobicContact CD2-CD2 4.14Å; L875-L878 HydrophobicContact CD2-CG 4.25Å; L875-L878 HydrophobicContact CG-CB 4.48Å; L875-L896 HydrophobicContact CB-CD1 4.37Å; L875-L896 HydrophobicContact CB-CD2 3.93Å; L875-L896 HydrophobicContact CD2-CD1 4.04Å; L875-L899 WeakPolarHBondContact O-CA 3.27Å; L875-L899 VanDerWaalsContact O-CD1 3.3Å; L875-L899 WeakPolarHBondContact O-CD1 3.49Å; L875-L899 PolarHBondContact O-N 2.73Å | ||
| 876 | T | 87.5 | Confident | 88.4 | Confident | 42.75 Ų | 42.75 | 29 Ų | 29 | 26% | 0.262 | 16% | 0.163 | S | C | . | . | trans | -91.7 | -26.7 | 179.9 | 67.5 | 0 | 0 | 0 | 0 | 113.6 | K852 L874 D898 F900 W901 | K852-T876 HydrophobicContact CB-CG2 4.47Å; K852-T876 WeakPolarHBondContact O-CA 3.3Å; K852-T876 PolarHBondContact O-N 3.11Å; K852-T876 PolarHBondContact O-OG1 3.13Å; L874-T876 WeakPolarHBondContact O-CG2 3.37Å; L874-T876 PolarHBondContact O-N 3.1Å; L874-T876 VanDerWaalsContact O-N 3.12Å; T876-D898 WeakPolarHBondContact CA-O 3.42Å; T876-D898 HydrophobicContact CG2-CB 4.31Å; T876-F900 WeakPolarHBondContact O-CB 3.4Å; T876-F900 PolarHBondContact O-N 2.95Å; T876-W901 PolarHBondContact O-N 3.04Å; T876-W901 VanDerWaalsContact O-N 3.13Å | ||
| 877 | T | 85.6 | Confident | 88.8 | Confident | 16.25 Ų | 16.25 | 29.2 Ų | 29.2 | 10% | 0.1 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 120.7 | -175.8 | -53 | 0 | 0 | 0 | 0 | 109.5 | K852 Q853 L854 W901 V1267 | K852-T877 PolarHBondContact O-N 3.16Å; K852-T877 VanDerWaalsContact O-N 3.07Å; Q853-T877 WeakPolarHBondContact CA-O 3.38Å; L854-T877 PolarHBondContact N-O 3.15Å; T877-W901 WeakPolarHBondContact CA-O 3.14Å; T877-W901 HydrophobicContact CG2-CB 4.19Å; T877-W901 HydrophobicContact CG2-CG 4.29Å; T877-V1267 HydrophobicContact CG2-CG1 3.9Å; T877-V1267 HydrophobicContact CG2-CG2 4.23Å |
| 878 | L | 92.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 120.5 | 177.4 | 179 | 52.7 | 0 | 0 | 0 | 109.7 | L854 F869 L875 L880 F893 L896 L899 W901 L902 D903 | L854-L878 HydrophobicContact CB-CD1 4.23Å; L854-L878 HydrophobicContact CD2-CD1 4.11Å; L854-L878 HydrophobicContact CG-CD1 4.15Å; L854-L878 CarbonylContact O-C 3.52Å; L854-L878 VanDerWaalsContact O-CA 3.32Å; L854-L878 WeakPolarHBondContact O-CA 3.29Å; F869-L878 HydrophobicContact CD1-CD2 4.34Å; F869-L878 HydrophobicContact CD2-CD2 4.28Å; F869-L878 HydrophobicContact CE1-CD1 4.09Å; F869-L878 HydrophobicContact CE1-CD2 4.07Å; F869-L878 HydrophobicContact CE2-CD2 3.82Å; F869-L878 HydrophobicContact CG-CD2 4.46Å; F869-L878 HydrophobicContact CZ-CD1 4.2Å; F869-L878 HydrophobicContact CZ-CD2 3.72Å; F869-L878 HydrophobicContact CZ-CG 4.48Å; L875-L878 HydrophobicContact CD2-CB 3.86Å; L875-L878 HydrophobicContact CD2-CD1 4.08Å; L875-L878 HydrophobicContact CD2-CD2 4.14Å; L875-L878 HydrophobicContact CD2-CG 4.25Å; L875-L878 HydrophobicContact CG-CB 4.48Å; L878-L880 HydrophobicContact CD1-CD1 4.2Å; L878-L880 HydrophobicContact CD1-CD2 4.35Å; L878-L880 HydrophobicContact CD1-CG 3.94Å; L878-L880 HydrophobicContact CD2-CD1 3.9Å; L878-L880 HydrophobicContact CD2-CG 4.5Å; L878-L880 HydrophobicContact CG-CD1 3.89Å; L878-L880 HydrophobicContact CG-CG 4.02Å; L878-F893 HydrophobicContact CD2-CD1 4.24Å; L878-F893 HydrophobicContact CD2-CE1 3.93Å; L878-L896 HydrophobicContact CD2-CD1 4.25Å; L878-L899 HydrophobicContact CB-CD1 3.93Å; L878-W901 PolarHBondContact N-O 3.18Å; L878-L902 HydrophobicContact CB-CD1 4.02Å; L878-L902 HydrophobicContact CD2-CD1 3.92Å; L878-L902 HydrophobicContact CG-CD1 3.82Å; L878-L902 CarbonylContact O-C 3.25Å; L878-L902 VanDerWaalsContact O-CA 3.26Å; L878-L902 WeakPolarHBondContact O-CA 3.28Å; L878-D903 PolarHBondContact O-N 3.02Å |
| 879 | D | 91.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 111.4 | 178.6 | 167.6 | 20.7 | 0 | 0 | 0 | 109.4 | L854 S855 L856 R857 A881 D903 V1267 | L854-D879 PolarHBondContact O-N 3.09Å; S855-D879 PolarHBondContact OG-OD2 2.75Å; L856-D879 CarbonylContact C-O 3.33Å; L856-D879 WeakPolarHBondContact CA-O 3.29Å; L856-D879 PolarHBondContact N-O 3.04Å; R857-D879 WeakPolarHBondContact CB-OD2 3.33Å; R857-D879 WeakPolarHBondContact CD-OD2 3.29Å; R857-D879 PolarHBondContact N-O 2.96Å; R857-D879 IonicContact NH1-OD1 3.14Å; R857-D879 PolarHBondContact NH1-OD1 3.28Å; R857-D879 IonicContact NH1-OD2 3.16Å; D879-A881 WeakPolarHBondContact OD1-CB 3.32Å; D879-A881 PolarHBondContact OD1-N 2.99Å; D879-D903 HydrophobicContact CB-CB 4.47Å; D879-V1267 HydrophobicContact CB-CB 4.36Å; D879-V1267 HydrophobicContact CB-CG2 3.81Å |
| 880 | L | 94.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -119.6 | 15.9 | -178.1 | -70.9 | 164.4 | 0 | 0 | 0 | 111.1 | I835 L856 L861 I864 F869 L878 N883 I885 F893 L902 D903 L904 N907 | I835-L880 HydrophobicContact CD1-CD2 4.19Å; L856-L880 HydrophobicContact CB-CD2 3.96Å; L856-L880 HydrophobicContact CD1-CD2 4.01Å; L861-L880 HydrophobicContact CD1-CD2 3.61Å; L861-L880 VanDerWaalsContact CD1-CD2 3.49Å; I864-L880 HydrophobicContact CD1-CD1 4.05Å; I864-L880 VanDerWaalsContact CD1-CD1 3.43Å; I864-L880 HydrophobicContact CD1-CD2 4.24Å; I864-L880 HydrophobicContact CD1-CG 4.35Å; I864-L880 HydrophobicContact CG1-CD1 4.37Å; F869-L880 HydrophobicContact CZ-CD1 4.26Å; F869-L880 HydrophobicContact CZ-CD2 4.47Å; L878-L880 HydrophobicContact CD1-CD1 4.2Å; L878-L880 HydrophobicContact CD1-CD2 4.35Å; L878-L880 HydrophobicContact CD1-CG 3.94Å; L878-L880 HydrophobicContact CD2-CD1 3.9Å; L878-L880 HydrophobicContact CD2-CG 4.5Å; L878-L880 HydrophobicContact CG-CD1 3.89Å; L878-L880 HydrophobicContact CG-CG 4.02Å; L880-N883 PolarHBondContact O-ND2 3.02Å; L880-N883 VanDerWaalsContact O-ND2 3.16Å; L880-I885 HydrophobicContact CB-CD1 4.15Å; L880-I885 HydrophobicContact CD1-CD1 4.49Å; L880-I885 HydrophobicContact CD2-CD1 4.42Å; L880-F893 HydrophobicContact CD1-CE1 4.25Å; L880-F893 HydrophobicContact CD1-CZ 4.5Å; L880-L902 HydrophobicContact CD1-CD1 4.12Å; L880-D903 CarbonylContact C-O 3.35Å; L880-D903 VanDerWaalsContact C-O 3.28Å; L880-D903 VanDerWaalsContact CA-O 3.27Å; L880-D903 WeakPolarHBondContact CA-O 3.26Å; L880-D903 VanDerWaalsContact CB-O 3.3Å; L880-D903 WeakPolarHBondContact CB-O 3.23Å; L880-D903 PolarHBondContact N-O 3.09Å; L880-L904 HydrophobicContact CB-CD2 3.95Å; L880-L904 HydrophobicContact CD1-CD2 3.98Å; L880-N907 PolarHBondContact O-ND2 2.97Å; L880-N907 VanDerWaalsContact O-ND2 3.11Å | ||
| 881 | A | 92.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 161 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R857 A858 D879 N883 D903 S905 | R857-A881 CarbonylContact C-O 3.46Å; R857-A881 VanDerWaalsContact CA-O 3.29Å; R857-A881 WeakPolarHBondContact CA-O 3.32Å; R857-A881 HydrophobicContact CG-CB 4.24Å; R857-A881 VanDerWaalsContact NH1-CB 3.27Å; A858-A881 PolarHBondContact N-O 3.02Å; D879-A881 WeakPolarHBondContact OD1-CB 3.32Å; D879-A881 PolarHBondContact OD1-N 2.99Å; A881-N883 VanDerWaalsContact C-N 3.28Å; A881-N883 PolarHBondContact O-N 2.93Å; A881-N883 VanDerWaalsContact O-N 3.14Å; A881-N883 PolarHBondContact O-ND2 3.35Å; A881-D903 HydrophobicContact CB-CB 4.38Å; A881-D903 WeakPolarHBondContact CB-OD2 3.17Å; A881-D903 PolarHBondContact N-O 3.31Å; A881-S905 CarbonylContact C-O 3.47Å; A881-S905 WeakPolarHBondContact CA-O 3.42Å; A881-S905 WeakPolarHBondContact CB-O 3.15Å; A881-S905 VanDerWaalsContact CB-OG 3.32Å; A881-S905 WeakPolarHBondContact CB-OG 3.32Å |
| 882 | S | 94.4 | Very high | 89.4 | Confident | 37.25 Ų | 37.25 | 30.2 Ų | 30.2 | 26% | 0.26 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 27.8 | 176.3 | -57.3 | 0 | 0 | 0 | 0 | 114.7 | A858 S905 N906 | A858-S882 WeakPolarHBondContact CA-O 3.35Å; S882-S905 PolarHBondContact N-O 3.04Å; S882-N906 CarbonylContact C-O 3.23Å; S882-N906 VanDerWaalsContact CA-O 3.23Å; S882-N906 WeakPolarHBondContact CA-O 3.31Å; S882-N906 WeakPolarHBondContact CB-ND2 3.38Å; S882-N906 PolarHBondContact N-O 3.02Å; S882-N906 PolarHBondContact OG-ND2 3Å |
| 883 | N | 93.3 | Very high | 89.5 | Confident | 7.75 Ų | 7.75 | 30.5 Ų | 30.5 | 4% | 0.041 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -96.5 | -167 | 174.7 | -84.8 | -88.7 | 0 | 0 | 0 | 110.7 | L856 A858 N859 E860 L861 L880 A881 I885 N906 N907 | L856-N883 PolarHBondContact O-ND2 3.04Å; A858-N883 PolarHBondContact N-ND2 3.02Å; N859-N883 VanDerWaalsContact CA-OD1 3.27Å; N859-N883 WeakPolarHBondContact CA-OD1 3.2Å; N859-N883 WeakPolarHBondContact CB-OD1 3.24Å; N859-N883 PolarHBondContact N-ND2 3.5Å; N859-N883 PolarHBondContact N-OD1 3.08Å; N859-N883 WeakPolarHBondContact O-CA 3.15Å; N859-N883 PolarHBondContact O-OD1 2.87Å; N859-N883 VanDerWaalsContact O-OD1 3.09Å; E860-N883 PolarHBondContact N-OD1 3.4Å; L861-N883 HydrophobicContact CB-CB 4.15Å; L861-N883 VanDerWaalsContact CB-OD1 3.27Å; L861-N883 WeakPolarHBondContact CB-OD1 3.35Å; L861-N883 VanDerWaalsContact CG-OD1 3.27Å; L861-N883 WeakPolarHBondContact CG-OD1 3.27Å; L861-N883 PolarHBondContact N-OD1 3.24Å; L861-N883 VanDerWaalsContact N-OD1 3.12Å; L880-N883 PolarHBondContact O-ND2 3.02Å; L880-N883 VanDerWaalsContact O-ND2 3.16Å; A881-N883 VanDerWaalsContact C-N 3.28Å; A881-N883 PolarHBondContact O-N 2.93Å; A881-N883 VanDerWaalsContact O-N 3.14Å; A881-N883 PolarHBondContact O-ND2 3.35Å; N883-I885 HydrophobicContact CB-CD1 4.16Å; N883-I885 HydrophobicContact CB-CG1 3.99Å; N883-N906 PolarHBondContact N-O 3.31Å; N883-N907 VanDerWaalsContact CA-OD1 3.32Å; N883-N907 WeakPolarHBondContact CA-OD1 3.43Å; N883-N907 WeakPolarHBondContact CB-OD1 3.33Å; N883-N907 PolarHBondContact N-OD1 2.8Å; N883-N907 PolarHBondContact O-OD1 3.4Å |
| 884 | R | 94.1 | Very high | 89.5 | Confident | 108.25 Ų | 108.25 | 30.3 Ų | 30.3 | 41% | 0.408 | 16% | 0.164 | S | C | . | . | trans | -113.4 | 25 | 178.2 | -57.3 | -176.5 | -172.4 | 140.9 | 9.6 | 112.2 | E860 L861 T862 A886 N907 Q908 | E860-R884 IonicContact OE1-CZ 2.96Å; E860-R884 IonicContact OE1-NH1 2.76Å; E860-R884 PolarHBondContact OE1-NH1 3.21Å; E860-R884 IonicContact OE1-NH2 3.31Å; E860-R884 PolarHBondContact OE1-NH2 3.02Å; E860-R884 IonicContact OE2-CZ 3.17Å; E860-R884 IonicContact OE2-NH1 3.15Å; E860-R884 PolarHBondContact OE2-NH1 3.22Å; E860-R884 IonicContact OE2-NH2 3.29Å; E860-R884 PolarHBondContact OE2-NH2 3.13Å; L861-R884 CarbonylContact O-C 3.41Å; L861-R884 VanDerWaalsContact O-CA 3.27Å; L861-R884 WeakPolarHBondContact O-CA 3.31Å; L861-R884 WeakPolarHBondContact O-CB 3.22Å; L861-R884 PolarHBondContact O-N 3.1Å; T862-R884 HydrophobicContact CG2-CB 4.25Å; R884-A886 PolarHBondContact O-N 3.35Å; R884-A886 VanDerWaalsContact O-N 3.11Å; R884-N907 PolarHBondContact N-OD1 2.83Å; R884-Q908 HydrophobicContact CB-CG 4.5Å | ||
| 885 | I | 94 | Very high | 89.3 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -68.4 | 115.8 | -169.2 | -56.3 | 166.4 | 0 | 0 | 0 | 108.9 | L861 T862 I864 L880 N883 S887 L888 L904 N907 Q908 L909 | L861-I885 HydrophobicContact CB-CD1 4.32Å; L861-I885 HydrophobicContact CB-CG1 4.02Å; L861-I885 WeakPolarHBondContact O-CA 3.27Å; L861-I885 VanDerWaalsContact O-CG1 3.31Å; L861-I885 WeakPolarHBondContact O-CG1 3.44Å; L861-I885 PolarHBondContact O-N 3.12Å; L861-I885 VanDerWaalsContact O-N 3.16Å; T862-I885 WeakPolarHBondContact O-CA 3.43Å; I864-I885 HydrophobicContact CD1-CD1 4Å; I864-I885 HydrophobicContact CG1-CD1 4.09Å; I864-I885 HydrophobicContact CG1-CG2 4.14Å; L880-I885 HydrophobicContact CB-CD1 4.15Å; L880-I885 HydrophobicContact CD1-CD1 4.49Å; L880-I885 HydrophobicContact CD2-CD1 4.42Å; N883-I885 HydrophobicContact CB-CD1 4.16Å; N883-I885 HydrophobicContact CB-CG1 3.99Å; I885-S887 WeakPolarHBondContact CG2-O 3.37Å; I885-L888 HydrophobicContact CG2-CD2 3.83Å; I885-L888 HydrophobicContact CG2-CG 4.38Å; I885-L904 HydrophobicContact CD1-CD2 4.17Å; I885-N907 HydrophobicContact CB-CB 4.4Å; I885-N907 VanDerWaalsContact CB-OD1 3.28Å; I885-N907 WeakPolarHBondContact CB-OD1 3.27Å; I885-N907 VanDerWaalsContact CG1-OD1 3.29Å; I885-N907 WeakPolarHBondContact CG1-OD1 3.3Å; I885-N907 PolarHBondContact N-OD1 3.24Å; I885-Q908 CarbonylContact O-C 3.25Å; I885-Q908 VanDerWaalsContact O-CA 3.31Å; I885-Q908 WeakPolarHBondContact O-CA 3.42Å; I885-Q908 PolarHBondContact O-N 2.96Å; I885-L909 HydrophobicContact CB-CD2 4.41Å; I885-L909 HydrophobicContact CG2-CD2 3.84Å; I885-L909 WeakPolarHBondContact O-CD2 3.22Å; I885-L909 WeakPolarHBondContact O-CG 3.07Å; I885-L909 PolarHBondContact O-N 3Å; I885-L909 VanDerWaalsContact O-N 3.09Å | ||
| 886 | A | 91.8 | Very high | 89.2 | Confident | 42.75 Ų | 42.75 | 33.3 Ų | 33.3 | 35% | 0.353 | 18% | 0.175 | S | C | . | . | trans | -98.2 | -23.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T862 R884 Q908 L909 S910 | T862-A886 PolarHBondContact O-N 3.11Å; R884-A886 PolarHBondContact O-N 3.35Å; R884-A886 VanDerWaalsContact O-N 3.11Å; A886-Q908 WeakPolarHBondContact CA-O 3.35Å; A886-Q908 HydrophobicContact CB-CB 4.2Å; A886-L909 WeakPolarHBondContact O-CA 3.19Å; A886-S910 PolarHBondContact O-N 2.88Å; A886-S910 PolarHBondContact O-OG 3.19Å | ||
| 887 | S | 89.3 | Confident | 89 | Confident | 56.75 Ų | 56.75 | 34.5 Ų | 34.5 | 40% | 0.397 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 148.6 | 178.5 | 60.6 | 0 | 0 | 0 | 0 | 112.4 | K863 I864 I885 T911 | K863-S887 VanDerWaalsContact CA-O 3.28Å; K863-S887 WeakPolarHBondContact CA-O 3.28Å; K863-S887 WeakPolarHBondContact CB-OG 3.37Å; I864-S887 PolarHBondContact N-O 3.15Å; I864-S887 VanDerWaalsContact N-O 3.12Å; I885-S887 WeakPolarHBondContact CG2-O 3.37Å; S887-T911 WeakPolarHBondContact CA-O 3.44Å |
| 888 | L | 90 | Very high | 88.9 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 124 | 171.9 | -60.8 | 171.4 | 0 | 0 | 0 | 107.9 | I864 I885 F893 L904 L909 I912 E913 T916 F917 | I864-L888 HydrophobicContact CB-CD2 3.91Å; I864-L888 HydrophobicContact CD1-CD2 4.06Å; I864-L888 HydrophobicContact CG1-CD2 3.52Å; I885-L888 HydrophobicContact CG2-CD2 3.83Å; I885-L888 HydrophobicContact CG2-CG 4.38Å; L888-F893 HydrophobicContact CD1-CE2 4.35Å; L888-F893 HydrophobicContact CD2-CE2 4.35Å; L888-F893 HydrophobicContact CD2-CZ 4.3Å; L888-L904 HydrophobicContact CD1-CD1 3.81Å; L888-L904 HydrophobicContact CD1-CD2 4.36Å; L888-L904 HydrophobicContact CD2-CD2 4.27Å; L888-L909 HydrophobicContact CD1-CD1 4.17Å; L888-L909 HydrophobicContact CD1-CD2 4.16Å; L888-L909 HydrophobicContact CD2-CD2 4.35Å; L888-L909 HydrophobicContact CG-CD2 3.86Å; L888-I912 HydrophobicContact CB-CG2 4.26Å; L888-I912 HydrophobicContact CD1-CD1 4.31Å; L888-I912 HydrophobicContact CD1-CG1 4.4Å; L888-I912 HydrophobicContact CD1-CG2 4.18Å; L888-E913 WeakPolarHBondContact O-CB 3.44Å; L888-E913 WeakPolarHBondContact O-CG 3.44Å; L888-E913 PolarHBondContact O-N 2.93Å; L888-E913 VanDerWaalsContact O-N 3.12Å; L888-T916 HydrophobicContact CB-CG2 3.83Å; L888-T916 HydrophobicContact CD1-CG2 4.28Å; L888-F917 HydrophobicContact CD1-CZ 4.39Å |
| 889 | Q | 84.7 | Confident | 88.6 | Confident | 72.5 Ų | 72.5 | 38.1 Ų | 38.1 | 34% | 0.339 | 21% | 0.207 | S | C | . | . | trans | -77.2 | 142.8 | 177.9 | -68.5 | -178.6 | -7.4 | 0 | 0 | 111.5 | I864 T866 G891 A892 E913 | I864-Q889 PolarHBondContact O-N 3.01Å; T866-Q889 WeakPolarHBondContact OG1-CB 3.27Å; T866-Q889 PolarHBondContact OG1-OE1 3.06Å; Q889-G891 PolarHBondContact O-N 3Å; Q889-A892 VanDerWaalsContact O-CB 3.26Å; Q889-A892 WeakPolarHBondContact O-CB 3.4Å; Q889-A892 PolarHBondContact O-N 2.88Å; Q889-A892 VanDerWaalsContact O-N 3.14Å; Q889-E913 WeakPolarHBondContact CA-OE2 3.31Å | ||
| 890 | K | 84 | Confident | 88.2 | Confident | 118.25 Ų | 118.25 | 42.6 Ų | 42.6 | 51% | 0.514 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 126.8 | 171.5 | -173.3 | 176.3 | -172.1 | 122.6 | 0 | 111.6 | T866 E913 E914 | T866-K890 WeakPolarHBondContact CB-O 3.4Å; T866-K890 VanDerWaalsContact CG2-O 3.22Å; T866-K890 WeakPolarHBondContact CG2-O 3.28Å; T866-K890 PolarHBondContact OG1-O 2.94Å; K890-E913 HydrophobicContact CB-CB 4.29Å; K890-E913 WeakPolarHBondContact CB-OE2 3.43Å; K890-E913 WeakPolarHBondContact CD-OE1 3.12Å; K890-E913 PolarHBondContact N-OE2 2.98Å; K890-E913 IonicContact NZ-OE1 2.78Å; K890-E914 WeakPolarHBondContact CD-O 3.33Å; K890-E914 VanDerWaalsContact CE-O 3.29Å; K890-E914 WeakPolarHBondContact CE-O 3.37Å; K890-E914 WeakPolarHBondContact CG-O 3.15Å; K890-E914 PolarHBondContact NZ-O 3.09Å |
| 891 | G | 81.5 | Confident | 87.8 | Confident | 10.5 Ų | 10.5 | 44.2 Ų | 44.2 | 11% | 0.108 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | 1.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q889 F893 D894 G915 | Q889-G891 PolarHBondContact O-N 3Å; G891-F893 PolarHBondContact O-N 3.16Å; G891-D894 WeakPolarHBondContact O-CB 3.4Å; G891-D894 PolarHBondContact O-N 2.84Å; G891-D894 VanDerWaalsContact O-N 3.07Å; G891-G915 PolarHBondContact N-O 3.22Å |
| 892 | A | 84.8 | Confident | 87.8 | Confident | 2.75 Ų | 2.75 | 44.2 Ų | 44.2 | 2% | 0.023 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -28.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | I864 T866 Q889 | I864-A892 HydrophobicContact CG2-CB 3.95Å; T866-A892 WeakPolarHBondContact O-CA 3.45Å; Q889-A892 VanDerWaalsContact O-CB 3.26Å; Q889-A892 WeakPolarHBondContact O-CB 3.4Å; Q889-A892 PolarHBondContact O-N 2.88Å; Q889-A892 VanDerWaalsContact O-N 3.14Å |
| 893 | F | 89.2 | Confident | 87.6 | Confident | 6.5 Ų | 6.5 | 42.7 Ų | 42.7 | 3% | 0.029 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | 7.2 | -178.5 | -50.2 | -73.9 | 0 | 0 | 0 | 113.6 | I864 F869 L878 L880 L888 G891 K895 L896 L899 L902 T916 F917 | I864-F893 HydrophobicContact CD1-CE1 4.39Å; I864-F893 HydrophobicContact CD1-CZ 4.2Å; I864-F893 HydrophobicContact CG2-CZ 4.38Å; F869-F893 HydrophobicContact CD2-CD1 4.16Å; F869-F893 HydrophobicContact CD2-CE1 4.22Å; F869-F893 HydrophobicContact CE2-CD1 4.21Å; F869-F893 AromaticContact CE2-CE1 3.8Å; F869-F893 HydrophobicContact CE2-CE1 3.8Å; F869-F893 HydrophobicContact CE2-CZ 4.5Å; L878-F893 HydrophobicContact CD2-CD1 4.24Å; L878-F893 HydrophobicContact CD2-CE1 3.93Å; L880-F893 HydrophobicContact CD1-CE1 4.25Å; L880-F893 HydrophobicContact CD1-CZ 4.5Å; L888-F893 HydrophobicContact CD1-CE2 4.35Å; L888-F893 HydrophobicContact CD2-CE2 4.35Å; L888-F893 HydrophobicContact CD2-CZ 4.3Å; G891-F893 PolarHBondContact O-N 3.16Å; F893-K895 PolarHBondContact O-N 3.15Å; F893-K895 VanDerWaalsContact O-N 3.07Å; F893-L896 HydrophobicContact CD1-CD1 4.29Å; F893-L896 PolarHBondContact O-N 2.99Å; F893-L899 HydrophobicContact CB-CD2 4.31Å; F893-L899 HydrophobicContact CD1-CD2 4.4Å; F893-L899 HydrophobicContact CG-CD2 4.47Å; F893-L902 HydrophobicContact CD1-CD2 4.06Å; F893-L902 HydrophobicContact CD2-CD2 4.29Å; F893-L902 HydrophobicContact CE1-CD1 4.29Å; F893-L902 HydrophobicContact CE1-CD2 4.14Å; F893-L902 HydrophobicContact CE2-CD2 4.26Å; F893-L902 HydrophobicContact CG-CD2 4.48Å; F893-L902 HydrophobicContact CZ-CD1 4.37Å; F893-L902 HydrophobicContact CZ-CD2 4.02Å; F893-T916 HydrophobicContact CD2-CG2 3.98Å; F893-T916 HydrophobicContact CE2-CG2 3.89Å; F893-F917 HydrophobicContact CB-CD1 4.46Å; F893-F917 AromaticContact CD2-CD1 3.81Å; F893-F917 HydrophobicContact CD2-CD1 3.87Å; F893-F917 AromaticContact CD2-CE1 3.8Å; F893-F917 HydrophobicContact CD2-CE1 3.8Å; F893-F917 VanDerWaalsContact CD2-CE1 3.45Å; F893-F917 HydrophobicContact CE2-CD1 4.26Å; F893-F917 AromaticContact CE2-CE1 3.71Å; F893-F917 HydrophobicContact CE2-CE1 3.71Å; F893-F917 HydrophobicContact CE2-CZ 4.34Å; F893-F917 HydrophobicContact CG-CD1 4.22Å; F893-F917 HydrophobicContact CG-CE1 4.3Å; F893-F917 HydrophobicContact CZ-CE1 4.41Å |
| 894 | D | 86.4 | Confident | 87.6 | Confident | 50.5 Ų | 50.5 | 42.3 Ų | 42.3 | 27% | 0.27 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -27.5 | -172.5 | -105.9 | 43.3 | 0 | 0 | 0 | 114 | G891 K918 N919 | G891-D894 WeakPolarHBondContact O-CB 3.4Å; G891-D894 PolarHBondContact O-N 2.84Å; G891-D894 VanDerWaalsContact O-N 3.07Å; D894-K918 VanDerWaalsContact CG-CD 3.47Å; D894-K918 VanDerWaalsContact OD1-CB 3.24Å; D894-K918 WeakPolarHBondContact OD1-CB 3.26Å; D894-K918 VanDerWaalsContact OD1-CD 3.24Å; D894-K918 WeakPolarHBondContact OD1-CD 3.33Å; D894-K918 WeakPolarHBondContact OD2-CD 3.34Å; D894-K918 WeakPolarHBondContact OD2-CE 3.28Å; D894-K918 IonicContact OD2-NZ 3.42Å; D894-K918 PolarHBondContact OD2-NZ 3.04Å; D894-N919 PolarHBondContact O-ND2 3.34Å |
| 895 | K | 84 | Confident | 87.5 | Confident | 120.25 Ų | 120.25 | 37.3 Ų | 37.3 | 52% | 0.523 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -14.3 | 179.6 | -63.5 | -55.2 | -172.4 | 177.3 | 0 | 114.6 | N870 F893 A897 | N870-K895 HydrophobicContact CB-CG 4.28Å; N870-K895 VanDerWaalsContact OD1-CG 3.31Å; N870-K895 WeakPolarHBondContact OD1-CG 3.32Å; F893-K895 PolarHBondContact O-N 3.15Å; F893-K895 VanDerWaalsContact O-N 3.07Å; K895-A897 VanDerWaalsContact C-N 3.35Å; K895-A897 PolarHBondContact O-N 2.99Å; K895-A897 VanDerWaalsContact O-N 3.09Å |
| 896 | L | 88.3 | Confident | 87.5 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | trans | -89.1 | 82.9 | -177.9 | -53.6 | -172.7 | 0 | 0 | 0 | 108.6 | F869 V872 L875 L878 F893 L899 N919 | F869-L896 HydrophobicContact CB-CD1 3.9Å; F869-L896 HydrophobicContact CB-CD2 3.93Å; F869-L896 HydrophobicContact CB-CG 4.11Å; F869-L896 HydrophobicContact CD2-CD1 4.27Å; F869-L896 HydrophobicContact CG-CD1 4.13Å; V872-L896 HydrophobicContact CG2-CD2 4.47Å; V872-L896 VanDerWaalsContact O-CD2 3.28Å; V872-L896 WeakPolarHBondContact O-CD2 3.31Å; L875-L896 HydrophobicContact CB-CD1 4.37Å; L875-L896 HydrophobicContact CB-CD2 3.93Å; L875-L896 HydrophobicContact CD2-CD1 4.04Å; L878-L896 HydrophobicContact CD2-CD1 4.25Å; F893-L896 HydrophobicContact CD1-CD1 4.29Å; F893-L896 PolarHBondContact O-N 2.99Å; L896-L899 HydrophobicContact CB-CB 3.93Å; L896-L899 HydrophobicContact CB-CD2 4.22Å; L896-L899 HydrophobicContact CD1-CD1 4.43Å; L896-L899 HydrophobicContact CD1-CD2 4.05Å; L896-N919 PolarHBondContact O-ND2 3.12Å; L896-N919 VanDerWaalsContact O-ND2 3.14Å | ||
| 897 | A | 83.6 | Confident | 87.5 | Confident | 67 Ų | 67 | 39 Ų | 39 | 55% | 0.554 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -33.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K895 | K895-A897 VanDerWaalsContact C-N 3.35Å; K895-A897 PolarHBondContact O-N 2.99Å; K895-A897 VanDerWaalsContact O-N 3.09Å |
| 898 | D | 83.5 | Confident | 87.8 | Confident | 85.75 Ų | 85.75 | 41.3 Ų | 41.3 | 46% | 0.459 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 15.8 | -176.7 | -64.1 | -43.7 | 0 | 0 | 0 | 113.3 | T876 F900 R1251 | T876-D898 WeakPolarHBondContact CA-O 3.42Å; T876-D898 HydrophobicContact CG2-CB 4.31Å; D898-F900 PolarHBondContact O-N 3.13Å; D898-R1251 IonicContact OD2-CZ 3.07Å; D898-R1251 IonicContact OD2-NH1 3.25Å; D898-R1251 PolarHBondContact OD2-NH1 3.45Å |
| 899 | L | 86.8 | Confident | 87.9 | Confident | 7 Ų | 7 | 41.1 Ų | 41.1 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | trans | -70.3 | 93.3 | -173.3 | -171.9 | 62 | 0 | 0 | 0 | 112.6 | L875 L878 F893 L896 W901 L902 I921 | L875-L899 WeakPolarHBondContact O-CA 3.27Å; L875-L899 VanDerWaalsContact O-CD1 3.3Å; L875-L899 WeakPolarHBondContact O-CD1 3.49Å; L875-L899 PolarHBondContact O-N 2.73Å; L878-L899 HydrophobicContact CB-CD1 3.93Å; F893-L899 HydrophobicContact CB-CD2 4.31Å; F893-L899 HydrophobicContact CD1-CD2 4.4Å; F893-L899 HydrophobicContact CG-CD2 4.47Å; L896-L899 HydrophobicContact CB-CB 3.93Å; L896-L899 HydrophobicContact CB-CD2 4.22Å; L896-L899 HydrophobicContact CD1-CD1 4.43Å; L896-L899 HydrophobicContact CD1-CD2 4.05Å; L899-W901 WeakPolarHBondContact CD1-O 3.29Å; L899-L902 HydrophobicContact CD2-CB 4.39Å; L899-L902 HydrophobicContact CD2-CD2 4.39Å; L899-I921 HydrophobicContact CD2-CD1 3.86Å; L899-I921 HydrophobicContact CD2-CG1 4.21Å; L899-I921 HydrophobicContact CG-CD1 4.49Å; L899-I921 HydrophobicContact CG-CG1 4.42Å; L899-I921 HydrophobicContact CG-CG2 4.36Å; L899-I921 WeakPolarHBondContact O-CA 3.48Å | ||
| 900 | F | 82.4 | Confident | 88.1 | Confident | 95.25 Ų | 95.25 | 40 Ų | 40 | 42% | 0.418 | 21% | 0.209 | S | C | . | . | trans | -80.3 | -31.5 | -179.6 | 177.3 | -104 | 0 | 0 | 0 | 113.4 | T876 D898 T922 N923 S1254 | T876-F900 WeakPolarHBondContact O-CB 3.4Å; T876-F900 PolarHBondContact O-N 2.95Å; D898-F900 PolarHBondContact O-N 3.13Å; F900-T922 VanDerWaalsContact CD2-CB 3.49Å; F900-T922 HydrophobicContact CD2-CG2 4.07Å; F900-T922 WeakPolarHBondContact CD2-OG1 3.49Å; F900-T922 HydrophobicContact CE2-CG2 3.7Å; F900-T922 HydrophobicContact CZ-CG2 4.42Å; F900-T922 CarbonylContact O-C 3.27Å; F900-T922 WeakPolarHBondContact O-CB 3.1Å; F900-N923 VanDerWaalsContact CE1-ND2 3.29Å; F900-N923 WeakPolarHBondContact CE1-ND2 3.33Å; F900-N923 VanDerWaalsContact CE2-ND2 3.31Å; F900-N923 WeakPolarHBondContact CE2-ND2 3.31Å; F900-N923 VanDerWaalsContact CZ-ND2 3.31Å; F900-N923 WeakPolarHBondContact CZ-ND2 3.24Å; F900-N923 WeakPolarHBondContact O-CB 3.3Å; F900-N923 PolarHBondContact O-N 2.99Å; F900-N923 VanDerWaalsContact O-N 3.08Å; F900-N923 PolarHBondContact O-ND2 2.89Å; F900-S1254 WeakPolarHBondContact CD2-OG 3.14Å; F900-S1254 WeakPolarHBondContact CE2-OG 3.3Å | ||
| 901 | W | 85.2 | Confident | 88.2 | Confident | 33.75 Ų | 33.75 | 36.9 Ų | 36.9 | 13% | 0.128 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 125.1 | -174.6 | -173.2 | -72.3 | 0 | 0 | 0 | 112.2 | T876 T877 L878 L899 N923 L925 F953 Y1265 | T876-W901 PolarHBondContact O-N 3.04Å; T876-W901 VanDerWaalsContact O-N 3.13Å; T877-W901 WeakPolarHBondContact CA-O 3.14Å; T877-W901 HydrophobicContact CG2-CB 4.19Å; T877-W901 HydrophobicContact CG2-CG 4.29Å; L878-W901 PolarHBondContact N-O 3.18Å; L899-W901 WeakPolarHBondContact CD1-O 3.29Å; W901-N923 WeakPolarHBondContact CA-O 3.36Å; W901-N923 HydrophobicContact CB-CB 4.41Å; W901-N923 HydrophobicContact CD2-CB 3.92Å; W901-N923 HydrophobicContact CE3-CB 3.51Å; W901-N923 VanDerWaalsContact CE3-CB 3.42Å; W901-N923 VanDerWaalsContact CE3-CG 3.48Å; W901-N923 HydrophobicContact CG-CB 4.32Å; W901-N923 HydrophobicContact CZ3-CB 4.08Å; W901-L925 HydrophobicContact CD2-CD1 4.43Å; W901-L925 HydrophobicContact CH2-CD1 4.28Å; W901-L925 HydrophobicContact CZ2-CD1 3.69Å; W901-L925 HydrophobicContact CZ2-CD2 4.3Å; W901-F953 AromaticContact CH2-CD1 3.76Å; W901-F953 HydrophobicContact CH2-CD1 4.13Å; W901-F953 AromaticContact CH2-CE1 3.63Å; W901-F953 HydrophobicContact CH2-CE1 3.73Å; W901-F953 HydrophobicContact CH2-CZ 4.27Å; W901-F953 HydrophobicContact CZ2-CE1 4.48Å; W901-F953 HydrophobicContact CZ3-CD1 4.26Å; W901-F953 AromaticContact CZ3-CE1 3.8Å; W901-F953 HydrophobicContact CZ3-CE1 3.8Å; W901-F953 HydrophobicContact CZ3-CZ 4.35Å; W901-Y1265 AromaticContact CH2-CD1 3.76Å; W901-Y1265 HydrophobicContact CH2-CD1 3.76Å; W901-Y1265 HydrophobicContact CH2-CE1 4.39Å; W901-Y1265 HydrophobicContact CH2-CG 4.16Å; W901-Y1265 HydrophobicContact CZ2-CD1 4.19Å; W901-Y1265 HydrophobicContact CZ2-CG 4.19Å |
| 902 | L | 92.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 116.1 | 173.5 | 179.6 | 54.3 | 0 | 0 | 0 | 110 | L878 L880 F893 L899 L904 F917 I921 N923 L924 L925 | L878-L902 HydrophobicContact CB-CD1 4.02Å; L878-L902 HydrophobicContact CD2-CD1 3.92Å; L878-L902 HydrophobicContact CG-CD1 3.82Å; L878-L902 CarbonylContact O-C 3.25Å; L878-L902 VanDerWaalsContact O-CA 3.26Å; L878-L902 WeakPolarHBondContact O-CA 3.28Å; L880-L902 HydrophobicContact CD1-CD1 4.12Å; F893-L902 HydrophobicContact CD1-CD2 4.06Å; F893-L902 HydrophobicContact CD2-CD2 4.29Å; F893-L902 HydrophobicContact CE1-CD1 4.29Å; F893-L902 HydrophobicContact CE1-CD2 4.14Å; F893-L902 HydrophobicContact CE2-CD2 4.26Å; F893-L902 HydrophobicContact CG-CD2 4.48Å; F893-L902 HydrophobicContact CZ-CD1 4.37Å; F893-L902 HydrophobicContact CZ-CD2 4.02Å; L899-L902 HydrophobicContact CD2-CB 4.39Å; L899-L902 HydrophobicContact CD2-CD2 4.39Å; L902-L904 HydrophobicContact CD1-CD1 4.37Å; L902-L904 HydrophobicContact CD1-CG 4.14Å; L902-L904 HydrophobicContact CD2-CD1 3.83Å; L902-L904 HydrophobicContact CD2-CG 4.35Å; L902-L904 HydrophobicContact CG-CD1 4.01Å; L902-L904 HydrophobicContact CG-CG 4.05Å; L902-F917 HydrophobicContact CD2-CD1 4.32Å; L902-F917 HydrophobicContact CD2-CE1 3.81Å; L902-F917 HydrophobicContact CD2-CZ 4.44Å; L902-I921 HydrophobicContact CB-CD1 4.24Å; L902-I921 HydrophobicContact CB-CG2 4.03Å; L902-I921 HydrophobicContact CD2-CD1 3.65Å; L902-N923 PolarHBondContact N-O 3.01Å; L902-L924 HydrophobicContact CB-CD1 4.08Å; L902-L924 HydrophobicContact CD2-CD1 3.85Å; L902-L924 HydrophobicContact CG-CD1 3.91Å; L902-L924 CarbonylContact O-C 3.46Å; L902-L924 VanDerWaalsContact O-CA 3.28Å; L902-L924 WeakPolarHBondContact O-CA 3.14Å; L902-L925 PolarHBondContact O-N 3.11Å |
| 903 | D | 90.7 | Very high | 88.5 | Confident | 4.25 Ų | 4.25 | 41.5 Ų | 41.5 | 2% | 0.023 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 116.2 | 170.5 | -168.1 | -7.1 | 0 | 0 | 0 | 110.7 | R857 L878 D879 L880 A881 S905 L925 | R857-D903 IonicContact CZ-OD2 2.67Å; R857-D903 IonicContact NH1-OD2 3.15Å; R857-D903 PolarHBondContact NH1-OD2 2.98Å; R857-D903 IonicContact NH2-OD2 2.66Å; L878-D903 PolarHBondContact O-N 3.02Å; D879-D903 HydrophobicContact CB-CB 4.47Å; L880-D903 CarbonylContact C-O 3.35Å; L880-D903 VanDerWaalsContact C-O 3.28Å; L880-D903 VanDerWaalsContact CA-O 3.27Å; L880-D903 WeakPolarHBondContact CA-O 3.26Å; L880-D903 VanDerWaalsContact CB-O 3.3Å; L880-D903 WeakPolarHBondContact CB-O 3.23Å; L880-D903 PolarHBondContact N-O 3.09Å; A881-D903 HydrophobicContact CB-CB 4.38Å; A881-D903 WeakPolarHBondContact CB-OD2 3.17Å; A881-D903 PolarHBondContact N-O 3.31Å; D903-S905 WeakPolarHBondContact OD1-CB 3.32Å; D903-S905 PolarHBondContact OD1-N 2.99Å; D903-S905 PolarHBondContact OD1-OG 3.09Å; D903-S905 PolarHBondContact OD2-OG 2.82Å; D903-L925 HydrophobicContact CB-CB 4.27Å; D903-L925 VanDerWaalsContact OD1-CB 3.24Å; D903-L925 WeakPolarHBondContact OD1-CB 3.26Å |
| 904 | L | 93.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -119.6 | 15.5 | 174.9 | -75.3 | 165.7 | 0 | 0 | 0 | 111.3 | L880 I885 L888 L902 N907 L909 F917 L924 L925 L926 N929 | L880-L904 HydrophobicContact CB-CD2 3.95Å; L880-L904 HydrophobicContact CD1-CD2 3.98Å; I885-L904 HydrophobicContact CD1-CD2 4.17Å; L888-L904 HydrophobicContact CD1-CD1 3.81Å; L888-L904 HydrophobicContact CD1-CD2 4.36Å; L888-L904 HydrophobicContact CD2-CD2 4.27Å; L902-L904 HydrophobicContact CD1-CD1 4.37Å; L902-L904 HydrophobicContact CD1-CG 4.14Å; L902-L904 HydrophobicContact CD2-CD1 3.83Å; L902-L904 HydrophobicContact CD2-CG 4.35Å; L902-L904 HydrophobicContact CG-CD1 4.01Å; L902-L904 HydrophobicContact CG-CG 4.05Å; L904-N907 PolarHBondContact O-ND2 3.11Å; L904-N907 VanDerWaalsContact O-ND2 3.11Å; L904-L909 HydrophobicContact CB-CD1 4.3Å; L904-L909 HydrophobicContact CD1-CD1 4.42Å; L904-F917 HydrophobicContact CD1-CE1 4.45Å; L904-F917 HydrophobicContact CD1-CZ 4.18Å; L904-L924 HydrophobicContact CD1-CD1 4.15Å; L904-L925 CarbonylContact C-O 3.4Å; L904-L925 VanDerWaalsContact CA-O 3.29Å; L904-L925 WeakPolarHBondContact CA-O 3.36Å; L904-L925 WeakPolarHBondContact CB-O 3.36Å; L904-L925 PolarHBondContact N-O 3.03Å; L904-L926 HydrophobicContact CB-CD2 4Å; L904-L926 HydrophobicContact CD1-CD2 4.33Å; L904-N929 PolarHBondContact O-ND2 3.07Å | ||
| 905 | S | 91.4 | Very high | 88 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 3% | 0.028 | 25% | 0.245 | C | C | . | . | trans | -63.2 | 157 | -179.7 | 64.4 | 0 | 0 | 0 | 0 | 112.7 | A881 S882 D903 N907 L925 Q927 | A881-S905 CarbonylContact C-O 3.47Å; A881-S905 WeakPolarHBondContact CA-O 3.42Å; A881-S905 WeakPolarHBondContact CB-O 3.15Å; A881-S905 VanDerWaalsContact CB-OG 3.32Å; A881-S905 WeakPolarHBondContact CB-OG 3.32Å; S882-S905 PolarHBondContact N-O 3.04Å; D903-S905 WeakPolarHBondContact OD1-CB 3.32Å; D903-S905 PolarHBondContact OD1-N 2.99Å; D903-S905 PolarHBondContact OD1-OG 3.09Å; D903-S905 PolarHBondContact OD2-OG 2.82Å; S905-N907 VanDerWaalsContact C-N 3.32Å; S905-N907 PolarHBondContact O-N 2.95Å; S905-N907 PolarHBondContact O-ND2 3.15Å; S905-N907 VanDerWaalsContact O-ND2 3.14Å; S905-L925 PolarHBondContact N-O 3.02Å; S905-Q927 CarbonylContact C-O 3.36Å; S905-Q927 VanDerWaalsContact CA-O 3.23Å; S905-Q927 WeakPolarHBondContact CA-O 3.35Å; S905-Q927 WeakPolarHBondContact CB-O 3.33Å | ||
| 906 | N | 93.4 | Very high | 88.1 | Confident | 71 Ų | 71 | 40.5 Ų | 40.5 | 38% | 0.38 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 55.7 | 48.2 | 176.1 | -162.6 | 43 | 0 | 0 | 0 | 113.2 | S882 N883 Q927 R928 | S882-N906 CarbonylContact C-O 3.23Å; S882-N906 VanDerWaalsContact CA-O 3.23Å; S882-N906 WeakPolarHBondContact CA-O 3.31Å; S882-N906 WeakPolarHBondContact CB-ND2 3.38Å; S882-N906 PolarHBondContact N-O 3.02Å; S882-N906 PolarHBondContact OG-ND2 3Å; N883-N906 PolarHBondContact N-O 3.31Å; N906-Q927 PolarHBondContact N-O 3.2Å; N906-R928 WeakPolarHBondContact CA-O 3.29Å; N906-R928 HydrophobicContact CB-CB 4.21Å |
| 907 | N | 93.8 | Very high | 88 | Confident | 6.25 Ų | 6.25 | 40.8 Ų | 40.8 | 3% | 0.033 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -120.5 | -173.5 | 179.9 | -91.8 | -80.3 | 0 | 0 | 0 | 110.9 | L880 N883 R884 I885 L904 S905 L909 R928 N929 P930 | L880-N907 PolarHBondContact O-ND2 2.97Å; L880-N907 VanDerWaalsContact O-ND2 3.11Å; N883-N907 VanDerWaalsContact CA-OD1 3.32Å; N883-N907 WeakPolarHBondContact CA-OD1 3.43Å; N883-N907 WeakPolarHBondContact CB-OD1 3.33Å; N883-N907 PolarHBondContact N-OD1 2.8Å; N883-N907 PolarHBondContact O-OD1 3.4Å; R884-N907 PolarHBondContact N-OD1 2.83Å; I885-N907 HydrophobicContact CB-CB 4.4Å; I885-N907 VanDerWaalsContact CB-OD1 3.28Å; I885-N907 WeakPolarHBondContact CB-OD1 3.27Å; I885-N907 VanDerWaalsContact CG1-OD1 3.29Å; I885-N907 WeakPolarHBondContact CG1-OD1 3.3Å; I885-N907 PolarHBondContact N-OD1 3.24Å; L904-N907 PolarHBondContact O-ND2 3.11Å; L904-N907 VanDerWaalsContact O-ND2 3.11Å; S905-N907 VanDerWaalsContact C-N 3.32Å; S905-N907 PolarHBondContact O-N 2.95Å; S905-N907 PolarHBondContact O-ND2 3.15Å; S905-N907 VanDerWaalsContact O-ND2 3.14Å; N907-L909 HydrophobicContact CB-CG 4.3Å; N907-R928 PolarHBondContact N-O 3.02Å; N907-N929 VanDerWaalsContact CA-OD1 3.28Å; N907-N929 WeakPolarHBondContact CA-OD1 3.37Å; N907-N929 WeakPolarHBondContact CB-OD1 3.3Å; N907-N929 PolarHBondContact N-OD1 3.14Å; N907-N929 PolarHBondContact O-OD1 3.12Å; N907-N929 VanDerWaalsContact O-OD1 3.1Å; N907-P930 VanDerWaalsContact O-CD 3.26Å; N907-P930 WeakPolarHBondContact O-CD 3.33Å |
| 908 | Q | 94.3 | Very high | 87.7 | Confident | 105.75 Ų | 105.75 | 44 Ų | 44 | 49% | 0.494 | 22% | 0.223 | S | C | . | . | trans | -104.9 | 20.7 | -178.9 | -62 | -153 | -2.5 | 0 | 0 | 113.1 | R884 I885 A886 S910 N929 P930 | R884-Q908 HydrophobicContact CB-CG 4.5Å; I885-Q908 CarbonylContact O-C 3.25Å; I885-Q908 VanDerWaalsContact O-CA 3.31Å; I885-Q908 WeakPolarHBondContact O-CA 3.42Å; I885-Q908 PolarHBondContact O-N 2.96Å; A886-Q908 WeakPolarHBondContact CA-O 3.35Å; A886-Q908 HydrophobicContact CB-CB 4.2Å; Q908-S910 PolarHBondContact O-N 3.19Å; Q908-S910 VanDerWaalsContact O-N 3.1Å; Q908-N929 PolarHBondContact N-OD1 2.99Å; Q908-P930 VanDerWaalsContact C-CD 3.45Å; Q908-P930 WeakPolarHBondContact O-CG 3.21Å | ||
| 909 | L | 92.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -63.7 | 112.8 | -175.8 | -61.7 | 173.5 | 0 | 0 | 0 | 110.5 | I885 A886 L888 L904 N907 I912 L926 N929 P930 L931 | I885-L909 HydrophobicContact CB-CD2 4.41Å; I885-L909 HydrophobicContact CG2-CD2 3.84Å; I885-L909 WeakPolarHBondContact O-CD2 3.22Å; I885-L909 WeakPolarHBondContact O-CG 3.07Å; I885-L909 PolarHBondContact O-N 3Å; I885-L909 VanDerWaalsContact O-N 3.09Å; A886-L909 WeakPolarHBondContact O-CA 3.19Å; L888-L909 HydrophobicContact CD1-CD1 4.17Å; L888-L909 HydrophobicContact CD1-CD2 4.16Å; L888-L909 HydrophobicContact CD2-CD2 4.35Å; L888-L909 HydrophobicContact CG-CD2 3.86Å; L904-L909 HydrophobicContact CB-CD1 4.3Å; L904-L909 HydrophobicContact CD1-CD1 4.42Å; N907-L909 HydrophobicContact CB-CG 4.3Å; L909-I912 HydrophobicContact CD1-CD1 4.27Å; L909-L926 HydrophobicContact CD1-CD2 4.12Å; L909-N929 HydrophobicContact CB-CB 4.29Å; L909-N929 VanDerWaalsContact CB-OD1 3.28Å; L909-N929 WeakPolarHBondContact CB-OD1 3.33Å; L909-N929 WeakPolarHBondContact CG-OD1 3.22Å; L909-N929 PolarHBondContact N-OD1 3.13Å; L909-N929 VanDerWaalsContact N-OD1 3.1Å; L909-P930 CarbonylContact O-C 3.38Å; L909-P930 VanDerWaalsContact O-C 3.31Å; L909-P930 WeakPolarHBondContact O-CD 3.28Å; L909-L931 HydrophobicContact CB-CD2 4.3Å; L909-L931 WeakPolarHBondContact O-CA 2.97Å; L909-L931 WeakPolarHBondContact O-CD2 3.28Å; L909-L931 PolarHBondContact O-N 3.06Å | ||
| 910 | S | 89 | Confident | 86.6 | Confident | 50 Ų | 50 | 44 Ų | 44 | 35% | 0.35 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -91.2 | -40.3 | 170.9 | 58.1 | 0 | 0 | 0 | 0 | 111.3 | A886 Q908 L931 R932 | A886-S910 PolarHBondContact O-N 2.88Å; A886-S910 PolarHBondContact O-OG 3.19Å; Q908-S910 PolarHBondContact O-N 3.19Å; Q908-S910 VanDerWaalsContact O-N 3.1Å; S910-L931 CarbonylContact O-C 3.53Å; S910-L931 WeakPolarHBondContact O-CA 3.2Å; S910-R932 VanDerWaalsContact O-CB 3.27Å; S910-R932 WeakPolarHBondContact O-CB 3.33Å; S910-R932 PolarHBondContact O-N 3.01Å |
| 911 | T | 86 | Confident | 86.7 | Confident | 51.5 Ų | 51.5 | 39.8 Ų | 39.8 | 32% | 0.316 | 21% | 0.213 | S | C | . | . | trans | -141.3 | 157.7 | 178 | 54.9 | 0 | 0 | 0 | 0 | 110.3 | S887 R932 S936 | S887-T911 WeakPolarHBondContact CA-O 3.44Å; T911-R932 HydrophobicContact CG2-CB 4.23Å; T911-S936 WeakPolarHBondContact CG2-OG 3.4Å | ||
| 912 | I | 87.7 | Confident | 86.5 | Confident | 7 Ų | 7 | 40.9 Ų | 40.9 | 4% | 0.036 | 22% | 0.224 | C | C | . | . | trans | -127.6 | 132.2 | 172.5 | -50.8 | -176 | 0 | 0 | 0 | 107 | L888 L909 T916 F917 L926 W939 L940 | L888-I912 HydrophobicContact CB-CG2 4.26Å; L888-I912 HydrophobicContact CD1-CD1 4.31Å; L888-I912 HydrophobicContact CD1-CG1 4.4Å; L888-I912 HydrophobicContact CD1-CG2 4.18Å; L909-I912 HydrophobicContact CD1-CD1 4.27Å; I912-T916 HydrophobicContact CG2-CG2 3.89Å; I912-T916 WeakPolarHBondContact CG2-OG1 3.49Å; I912-F917 HydrophobicContact CD1-CE2 4.19Å; I912-F917 HydrophobicContact CD1-CZ 4.24Å; I912-F917 HydrophobicContact CG2-CE2 4.15Å; I912-F917 HydrophobicContact CG2-CZ 4.36Å; I912-L926 HydrophobicContact CD1-CD2 4.13Å; I912-W939 HydrophobicContact CB-CZ2 3.98Å; I912-W939 HydrophobicContact CG2-CH2 4.21Å; I912-W939 HydrophobicContact CG2-CZ2 3.75Å; I912-W939 WeakPolarHBondContact O-CZ2 3.37Å; I912-W939 PolarHBondContact O-NE1 3.06Å; I912-L940 HydrophobicContact CB-CD2 4.5Å; I912-L940 HydrophobicContact CD1-CD1 4.29Å; I912-L940 HydrophobicContact CD1-CD2 3.92Å; I912-L940 HydrophobicContact CG1-CD2 4.44Å | ||
| 913 | E | 85.6 | Confident | 86 | Confident | 103.5 Ų | 103.5 | 41.3 Ų | 41.3 | 48% | 0.484 | 23% | 0.226 | S | C | . | . | trans | -74.2 | 142.1 | -175.7 | -84.9 | -173.5 | 159.2 | 0 | 0 | 112.5 | L888 Q889 K890 G915 T916 W939 | L888-E913 WeakPolarHBondContact O-CB 3.44Å; L888-E913 WeakPolarHBondContact O-CG 3.44Å; L888-E913 PolarHBondContact O-N 2.93Å; L888-E913 VanDerWaalsContact O-N 3.12Å; Q889-E913 WeakPolarHBondContact CA-OE2 3.31Å; K890-E913 HydrophobicContact CB-CB 4.29Å; K890-E913 WeakPolarHBondContact CB-OE2 3.43Å; K890-E913 WeakPolarHBondContact CD-OE1 3.12Å; K890-E913 PolarHBondContact N-OE2 2.98Å; K890-E913 IonicContact NZ-OE1 2.78Å; E913-G915 PolarHBondContact O-N 3.12Å; E913-T916 PolarHBondContact N-OG1 3.05Å; E913-T916 WeakPolarHBondContact O-CB 3.31Å; E913-T916 PolarHBondContact O-N 3.05Å; E913-T916 PolarHBondContact O-OG1 3.08Å; E913-T916 VanDerWaalsContact O-OG1 3.09Å; E913-W939 VanDerWaalsContact C-CZ2 3.46Å; E913-W939 WeakPolarHBondContact O-CH2 3.09Å; E913-W939 WeakPolarHBondContact O-CZ2 3.29Å | ||
| 914 | E | 84.1 | Confident | 85.9 | Confident | 132.5 Ų | 132.5 | 41.1 Ų | 41.1 | 62% | 0.619 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 122.9 | 179.4 | -174.3 | 175.3 | -166.6 | 0 | 0 | 111.6 | K890 W939 | K890-E914 WeakPolarHBondContact CD-O 3.33Å; K890-E914 VanDerWaalsContact CE-O 3.29Å; K890-E914 WeakPolarHBondContact CE-O 3.37Å; K890-E914 WeakPolarHBondContact CG-O 3.15Å; K890-E914 PolarHBondContact NZ-O 3.09Å; E914-W939 VanDerWaalsContact CA-CD2 3.41Å; E914-W939 VanDerWaalsContact CA-CE2 3.48Å; E914-W939 HydrophobicContact CB-CB 4.23Å; E914-W939 HydrophobicContact CB-CD2 3.98Å; E914-W939 HydrophobicContact CB-CE3 4.38Å; E914-W939 HydrophobicContact CB-CG 3.8Å; E914-W939 HydrophobicContact CG-CB 3.96Å; E914-W939 HydrophobicContact CG-CD2 3.99Å; E914-W939 HydrophobicContact CG-CE3 4.26Å; E914-W939 HydrophobicContact CG-CG 3.82Å |
| 915 | G | 80.2 | Confident | 85.7 | Confident | 24.25 Ų | 24.25 | 41.2 Ų | 41.2 | 25% | 0.25 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | 14.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | G891 E913 F917 | G891-G915 PolarHBondContact N-O 3.22Å; E913-G915 PolarHBondContact O-N 3.12Å; G915-F917 VanDerWaalsContact C-N 3.29Å; G915-F917 PolarHBondContact O-N 2.93Å |
| 916 | T | 85.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -61.7 | -36.2 | 165.3 | -64.3 | 0 | 0 | 0 | 0 | 111.9 | L888 F893 I912 E913 | L888-T916 HydrophobicContact CB-CG2 3.83Å; L888-T916 HydrophobicContact CD1-CG2 4.28Å; F893-T916 HydrophobicContact CD2-CG2 3.98Å; F893-T916 HydrophobicContact CE2-CG2 3.89Å; I912-T916 HydrophobicContact CG2-CG2 3.89Å; I912-T916 WeakPolarHBondContact CG2-OG1 3.49Å; E913-T916 PolarHBondContact N-OG1 3.05Å; E913-T916 WeakPolarHBondContact O-CB 3.31Å; E913-T916 PolarHBondContact O-N 3.05Å; E913-T916 PolarHBondContact O-OG1 3.08Å; E913-T916 VanDerWaalsContact O-OG1 3.09Å |
| 917 | F | 85.8 | Confident | 85.4 | Confident | 8 Ų | 8 | 37.6 Ų | 37.6 | 4% | 0.035 | 21% | 0.206 | C | C | . | . | trans | -111 | 101.2 | 178 | -50.5 | -57.5 | 0 | 0 | 0 | 110.7 | L888 F893 L902 L904 I912 G915 N919 I921 L924 W939 L940 Y943 | L888-F917 HydrophobicContact CD1-CZ 4.39Å; F893-F917 HydrophobicContact CB-CD1 4.46Å; F893-F917 AromaticContact CD2-CD1 3.81Å; F893-F917 HydrophobicContact CD2-CD1 3.87Å; F893-F917 AromaticContact CD2-CE1 3.8Å; F893-F917 HydrophobicContact CD2-CE1 3.8Å; F893-F917 VanDerWaalsContact CD2-CE1 3.45Å; F893-F917 HydrophobicContact CE2-CD1 4.26Å; F893-F917 AromaticContact CE2-CE1 3.71Å; F893-F917 HydrophobicContact CE2-CE1 3.71Å; F893-F917 HydrophobicContact CE2-CZ 4.34Å; F893-F917 HydrophobicContact CG-CD1 4.22Å; F893-F917 HydrophobicContact CG-CE1 4.3Å; F893-F917 HydrophobicContact CZ-CE1 4.41Å; L902-F917 HydrophobicContact CD2-CD1 4.32Å; L902-F917 HydrophobicContact CD2-CE1 3.81Å; L902-F917 HydrophobicContact CD2-CZ 4.44Å; L904-F917 HydrophobicContact CD1-CE1 4.45Å; L904-F917 HydrophobicContact CD1-CZ 4.18Å; I912-F917 HydrophobicContact CD1-CE2 4.19Å; I912-F917 HydrophobicContact CD1-CZ 4.24Å; I912-F917 HydrophobicContact CG2-CE2 4.15Å; I912-F917 HydrophobicContact CG2-CZ 4.36Å; G915-F917 VanDerWaalsContact C-N 3.29Å; G915-F917 PolarHBondContact O-N 2.93Å; F917-N919 PolarHBondContact O-N 3.02Å; F917-I921 HydrophobicContact CB-CD1 4.38Å; F917-I921 HydrophobicContact CD1-CD1 3.61Å; F917-I921 HydrophobicContact CE1-CD1 4.07Å; F917-I921 HydrophobicContact CG-CD1 4.28Å; F917-L924 HydrophobicContact CD2-CD2 4.24Å; F917-L924 HydrophobicContact CE1-CD1 4.36Å; F917-L924 HydrophobicContact CE2-CD1 4.47Å; F917-L924 HydrophobicContact CE2-CD2 3.9Å; F917-L924 HydrophobicContact CZ-CD1 4.15Å; F917-L924 HydrophobicContact CZ-CD2 4.13Å; F917-W939 HydrophobicContact CB-CH2 4.43Å; F917-W939 AromaticContact CD2-CH2 3.84Å; F917-W939 HydrophobicContact CD2-CH2 3.84Å; F917-W939 HydrophobicContact CD2-CZ3 4.39Å; F917-W939 HydrophobicContact CE2-CH2 4.36Å; F917-W939 HydrophobicContact CG-CH2 4.34Å; F917-L940 HydrophobicContact CD2-CD1 4.01Å; F917-L940 HydrophobicContact CE2-CD1 3.79Å; F917-Y943 HydrophobicContact CB-CD1 4.1Å; F917-Y943 HydrophobicContact CB-CD2 3.96Å; F917-Y943 HydrophobicContact CB-CE1 3.66Å; F917-Y943 HydrophobicContact CB-CE2 3.81Å; F917-Y943 VanDerWaalsContact CB-CE2 3.49Å; F917-Y943 HydrophobicContact CB-CG 4.1Å; F917-Y943 VanDerWaalsContact CB-CZ 3.45Å; F917-Y943 WeakPolarHBondContact CB-OH 3.44Å; F917-Y943 HydrophobicContact CD1-CE1 4.48Å; F917-Y943 AromaticContact CD2-CD1 3.55Å; F917-Y943 HydrophobicContact CD2-CD1 4.04Å; F917-Y943 AromaticContact CD2-CE1 3.66Å; F917-Y943 HydrophobicContact CD2-CE1 3.76Å; F917-Y943 VanDerWaalsContact CD2-CE1 3.47Å; F917-Y943 HydrophobicContact CD2-CG 4.43Å; F917-Y943 HydrophobicContact CE2-CE1 4.41Å; F917-Y943 AromaticContact CG-CD1 4Å; F917-Y943 HydrophobicContact CG-CD1 4Å; F917-Y943 AromaticContact CG-CE1 3.53Å; F917-Y943 HydrophobicContact CG-CE1 3.97Å; F917-Y943 AromaticContact CG-CZ 3.89Å; F917-Y943 VanDerWaalsContact O-CE2 3.3Å; F917-Y943 WeakPolarHBondContact O-CE2 3.19Å | ||
| 918 | K | 78.8 | Confident | 85.2 | Confident | 135.25 Ų | 135.25 | 42.9 Ų | 42.9 | 59% | 0.588 | 23% | 0.225 | S | C | * | . | trans | -106.3 | -33 | -174.2 | -174.9 | -174.4 | 179 | -179 | 0 | 113.7 | D894 G920 | D894-K918 VanDerWaalsContact CG-CD 3.47Å; D894-K918 VanDerWaalsContact OD1-CB 3.24Å; D894-K918 WeakPolarHBondContact OD1-CB 3.26Å; D894-K918 VanDerWaalsContact OD1-CD 3.24Å; D894-K918 WeakPolarHBondContact OD1-CD 3.33Å; D894-K918 WeakPolarHBondContact OD2-CD 3.34Å; D894-K918 WeakPolarHBondContact OD2-CE 3.28Å; D894-K918 IonicContact OD2-NZ 3.42Å; D894-K918 PolarHBondContact OD2-NZ 3.04Å; K918-G920 VanDerWaalsContact C-N 3.32Å | ||
| 919 | N | 75.9 | Confident | 85.1 | Confident | 54.75 Ų | 54.75 | 38.2 Ų | 38.2 | 29% | 0.293 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -88.2 | 128.1 | 172.3 | -55.9 | -25.3 | 0 | 0 | 0 | 109.3 | D894 L896 F917 I921 Y943 | D894-N919 PolarHBondContact O-ND2 3.34Å; L896-N919 PolarHBondContact O-ND2 3.12Å; L896-N919 VanDerWaalsContact O-ND2 3.14Å; F917-N919 PolarHBondContact O-N 3.02Å; N919-I921 PolarHBondContact O-N 2.86Å; N919-I921 VanDerWaalsContact O-N 3.15Å; N919-Y943 PolarHBondContact O-OH 3.15Å |
| 920 | G | 71.7 | Confident | 85 | Confident | 37.75 Ų | 37.75 | 40.5 Ų | 40.5 | 39% | 0.389 | 22% | 0.219 | S | C | . | . | trans | -61.2 | 110.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K918 | K918-G920 VanDerWaalsContact C-N 3.32Š| ||
| 921 | I | 83 | Confident | 85.1 | Confident | 5.75 Ų | 5.75 | 38.2 Ų | 38.2 | 3% | 0.029 | 20% | 0.202 | C | C | . | . | trans | -88.3 | 128.8 | 176.9 | -57.3 | 178.5 | 0 | 0 | 0 | 108.4 | L899 L902 F917 N919 N923 Y943 V949 | L899-I921 HydrophobicContact CD2-CD1 3.86Å; L899-I921 HydrophobicContact CD2-CG1 4.21Å; L899-I921 HydrophobicContact CG-CD1 4.49Å; L899-I921 HydrophobicContact CG-CG1 4.42Å; L899-I921 HydrophobicContact CG-CG2 4.36Å; L899-I921 WeakPolarHBondContact O-CA 3.48Å; L902-I921 HydrophobicContact CB-CD1 4.24Å; L902-I921 HydrophobicContact CB-CG2 4.03Å; L902-I921 HydrophobicContact CD2-CD1 3.65Å; F917-I921 HydrophobicContact CB-CD1 4.38Å; F917-I921 HydrophobicContact CD1-CD1 3.61Å; F917-I921 HydrophobicContact CE1-CD1 4.07Å; F917-I921 HydrophobicContact CG-CD1 4.28Å; N919-I921 PolarHBondContact O-N 2.86Å; N919-I921 VanDerWaalsContact O-N 3.15Å; I921-N923 VanDerWaalsContact CG2-O 3.29Å; I921-N923 WeakPolarHBondContact CG2-O 3.21Å; I921-Y943 PolarHBondContact N-OH 3Å; I921-Y943 VanDerWaalsContact N-OH 3.1Å; I921-V949 HydrophobicContact CB-CG1 3.87Å; I921-V949 HydrophobicContact CB-CG2 4.3Å; I921-V949 HydrophobicContact CG2-CG1 4.01Å; I921-V949 WeakPolarHBondContact O-CA 3.25Å; I921-V949 VanDerWaalsContact O-CB 3.24Å; I921-V949 WeakPolarHBondContact O-CB 3.31Å; I921-V949 WeakPolarHBondContact O-CG1 3.07Å; I921-V949 WeakPolarHBondContact O-CG2 3.44Å | ||
| 922 | T | 80.8 | Confident | 85.3 | Confident | 58.25 Ų | 58.25 | 41.2 Ų | 41.2 | 36% | 0.357 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -77.5 | -35.7 | -176.3 | -50.9 | 0 | 0 | 0 | 0 | 113.2 | F900 R950 K1036 | F900-T922 VanDerWaalsContact CD2-CB 3.49Å; F900-T922 HydrophobicContact CD2-CG2 4.07Å; F900-T922 WeakPolarHBondContact CD2-OG1 3.49Å; F900-T922 HydrophobicContact CE2-CG2 3.7Å; F900-T922 HydrophobicContact CZ-CG2 4.42Å; F900-T922 CarbonylContact O-C 3.27Å; F900-T922 WeakPolarHBondContact O-CB 3.1Å; T922-R950 WeakPolarHBondContact O-CB 3.15Å; T922-R950 PolarHBondContact O-N 3.01Å; T922-K1036 PolarHBondContact OG1-NZ 2.79Å; T922-K1036 VanDerWaalsContact OG1-NZ 3.1Å |
| 923 | N | 81.8 | Confident | 85.2 | Confident | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.037 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 121.5 | -178.5 | -56.2 | -89.5 | 0 | 0 | 0 | 109.7 | F900 W901 L902 I921 R950 F953 | F900-N923 VanDerWaalsContact CE1-ND2 3.29Å; F900-N923 WeakPolarHBondContact CE1-ND2 3.33Å; F900-N923 VanDerWaalsContact CE2-ND2 3.31Å; F900-N923 WeakPolarHBondContact CE2-ND2 3.31Å; F900-N923 VanDerWaalsContact CZ-ND2 3.31Å; F900-N923 WeakPolarHBondContact CZ-ND2 3.24Å; F900-N923 WeakPolarHBondContact O-CB 3.3Å; F900-N923 PolarHBondContact O-N 2.99Å; F900-N923 VanDerWaalsContact O-N 3.08Å; F900-N923 PolarHBondContact O-ND2 2.89Å; W901-N923 WeakPolarHBondContact CA-O 3.36Å; W901-N923 HydrophobicContact CB-CB 4.41Å; W901-N923 HydrophobicContact CD2-CB 3.92Å; W901-N923 HydrophobicContact CE3-CB 3.51Å; W901-N923 VanDerWaalsContact CE3-CB 3.42Å; W901-N923 VanDerWaalsContact CE3-CG 3.48Å; W901-N923 HydrophobicContact CG-CB 4.32Å; W901-N923 HydrophobicContact CZ3-CB 4.08Å; L902-N923 PolarHBondContact N-O 3.01Å; I921-N923 VanDerWaalsContact CG2-O 3.29Å; I921-N923 WeakPolarHBondContact CG2-O 3.21Å; N923-R950 CarbonylContact C-O 3.53Å; N923-R950 WeakPolarHBondContact CA-O 3.35Å; N923-F953 HydrophobicContact CB-CE1 4.4Å; N923-F953 HydrophobicContact CB-CZ 3.82Å; N923-F953 WeakPolarHBondContact OD1-CZ 3.42Å |
| 924 | L | 89 | Confident | 85.2 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 100.2 | -175.7 | 178.3 | 61.5 | 0 | 0 | 0 | 111.3 | L902 L904 F917 L926 L940 Y943 I944 V949 R950 S951 | L902-L924 HydrophobicContact CB-CD1 4.08Å; L902-L924 HydrophobicContact CD2-CD1 3.85Å; L902-L924 HydrophobicContact CG-CD1 3.91Å; L902-L924 CarbonylContact O-C 3.46Å; L902-L924 VanDerWaalsContact O-CA 3.28Å; L902-L924 WeakPolarHBondContact O-CA 3.14Å; L904-L924 HydrophobicContact CD1-CD1 4.15Å; F917-L924 HydrophobicContact CD2-CD2 4.24Å; F917-L924 HydrophobicContact CE1-CD1 4.36Å; F917-L924 HydrophobicContact CE2-CD1 4.47Å; F917-L924 HydrophobicContact CE2-CD2 3.9Å; F917-L924 HydrophobicContact CZ-CD1 4.15Å; F917-L924 HydrophobicContact CZ-CD2 4.13Å; L924-L926 HydrophobicContact CD1-CG 4.37Å; L924-L926 HydrophobicContact CD2-CD1 4.02Å; L924-L926 HydrophobicContact CG-CD1 4.09Å; L924-L926 HydrophobicContact CG-CG 4.1Å; L924-L940 HydrophobicContact CD2-CD1 4.46Å; L924-Y943 HydrophobicContact CD2-CE1 4.44Å; L924-I944 HydrophobicContact CD2-CD1 4.2Å; L924-V949 HydrophobicContact CB-CB 4.41Å; L924-V949 HydrophobicContact CB-CG1 3.35Å; L924-V949 VanDerWaalsContact CB-CG1 3.5Å; L924-V949 HydrophobicContact CD2-CG1 4.17Å; L924-V949 HydrophobicContact CG-CG1 4.27Å; L924-R950 PolarHBondContact N-O 3.03Å; L924-S951 CarbonylContact O-C 3.5Å; L924-S951 VanDerWaalsContact O-CA 3.25Å; L924-S951 WeakPolarHBondContact O-CA 3.33Å; L924-S951 VanDerWaalsContact O-CB 3.27Å; L924-S951 WeakPolarHBondContact O-CB 3.35Å |
| 925 | L | 89.2 | Confident | 85 | Confident | 1.75 Ų | 1.75 | 40.4 Ų | 40.4 | 1% | 0.009 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 127.9 | 179 | -71.5 | 76.8 | 0 | 0 | 0 | 109.8 | W901 L902 D903 L904 S905 Q927 F953 | W901-L925 HydrophobicContact CD2-CD1 4.43Å; W901-L925 HydrophobicContact CH2-CD1 4.28Å; W901-L925 HydrophobicContact CZ2-CD1 3.69Å; W901-L925 HydrophobicContact CZ2-CD2 4.3Å; L902-L925 PolarHBondContact O-N 3.11Å; D903-L925 HydrophobicContact CB-CB 4.27Å; D903-L925 VanDerWaalsContact OD1-CB 3.24Å; D903-L925 WeakPolarHBondContact OD1-CB 3.26Å; L904-L925 CarbonylContact C-O 3.4Å; L904-L925 VanDerWaalsContact CA-O 3.29Å; L904-L925 WeakPolarHBondContact CA-O 3.36Å; L904-L925 WeakPolarHBondContact CB-O 3.36Å; L904-L925 PolarHBondContact N-O 3.03Å; S905-L925 PolarHBondContact N-O 3.02Å; L925-Q927 VanDerWaalsContact CA-OE1 3.31Å; L925-Q927 VanDerWaalsContact CB-OE1 3.27Å; L925-F953 HydrophobicContact CD1-CD1 4.47Å; L925-F953 HydrophobicContact CD1-CD2 3.85Å; L925-F953 HydrophobicContact CD1-CE1 4.4Å; L925-F953 HydrophobicContact CD1-CE2 3.43Å; L925-F953 VanDerWaalsContact CD1-CE2 3.44Å; L925-F953 HydrophobicContact CD1-CG 4.09Å; L925-F953 HydrophobicContact CD1-CZ 3.78Å; L925-F953 HydrophobicContact CD2-CB 4.39Å; L925-F953 HydrophobicContact CD2-CD2 4.18Å; L925-F953 HydrophobicContact CD2-CE2 4.45Å; L925-F953 HydrophobicContact CD2-CG 4.23Å; L925-F953 HydrophobicContact CG-CD2 3.72Å; L925-F953 VanDerWaalsContact CG-CD2 3.48Å; L925-F953 HydrophobicContact CG-CE2 3.75Å; L925-F953 HydrophobicContact CG-CG 4.31Å; L925-F953 HydrophobicContact CG-CZ 4.39Å |
| 926 | L | 90.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -131.8 | 6.6 | -176.7 | -74.3 | 169.7 | 0 | 0 | 0 | 113.2 | L904 L909 I912 L924 N929 L940 I944 V959 | L904-L926 HydrophobicContact CB-CD2 4Å; L904-L926 HydrophobicContact CD1-CD2 4.33Å; L909-L926 HydrophobicContact CD1-CD2 4.12Å; I912-L926 HydrophobicContact CD1-CD2 4.13Å; L924-L926 HydrophobicContact CD1-CG 4.37Å; L924-L926 HydrophobicContact CD2-CD1 4.02Å; L924-L926 HydrophobicContact CG-CD1 4.09Å; L924-L926 HydrophobicContact CG-CG 4.1Å; L926-N929 PolarHBondContact O-ND2 3.19Å; L926-L940 HydrophobicContact CD1-CD2 4.1Å; L926-I944 HydrophobicContact CD1-CD1 4.17Å; L926-V959 HydrophobicContact CB-CG1 4.25Å; L926-V959 HydrophobicContact CB-CG2 3.98Å | ||
| 927 | Q | 88.5 | Confident | 85 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 152.3 | -176.9 | -57.4 | 73.8 | -19.5 | 0 | 0 | 111.6 | S905 N906 L925 N929 E956 P957 V959 | S905-Q927 CarbonylContact C-O 3.36Å; S905-Q927 VanDerWaalsContact CA-O 3.23Å; S905-Q927 WeakPolarHBondContact CA-O 3.35Å; S905-Q927 WeakPolarHBondContact CB-O 3.33Å; N906-Q927 PolarHBondContact N-O 3.2Å; L925-Q927 VanDerWaalsContact CA-OE1 3.31Å; L925-Q927 VanDerWaalsContact CB-OE1 3.27Å; Q927-N929 VanDerWaalsContact C-N 3.29Å; Q927-N929 PolarHBondContact O-N 3.17Å; Q927-N929 PolarHBondContact O-ND2 2.92Å; Q927-E956 HydrophobicContact CG-CB 4.11Å; Q927-E956 HydrophobicContact CG-CG 4.44Å; Q927-E956 VanDerWaalsContact NE2-CB 3.34Å; Q927-P957 HydrophobicContact CB-CG 4.36Å; Q927-P957 HydrophobicContact CG-CG 4.36Å; Q927-P957 WeakPolarHBondContact CG-O 2.92Å; Q927-P957 PolarHBondContact NE2-O 3.2Å; Q927-P957 VanDerWaalsContact NE2-O 3.08Å; Q927-P957 PolarHBondContact OE1-O 3.46Å; Q927-P957 VanDerWaalsContact OE1-O 3.07Å; Q927-V959 HydrophobicContact CG-CG2 4.36Å |
| 928 | R | 89.5 | Confident | 84.8 | Confident | 116.25 Ų | 116.25 | 43.5 Ų | 43.5 | 44% | 0.439 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 38.3 | 175.2 | -52.5 | 177 | -175 | 112.4 | 1.7 | 114.2 | N906 N907 E956 P957 E1262 | N906-R928 WeakPolarHBondContact CA-O 3.29Å; N906-R928 HydrophobicContact CB-CB 4.21Å; N907-R928 PolarHBondContact N-O 3.02Å; R928-E956 IonicContact CZ-OE2 3.16Å; R928-E956 IonicContact NH1-OE2 3.18Å; R928-E956 PolarHBondContact NH1-OE2 3.12Å; R928-E956 IonicContact NH2-OE2 2.82Å; R928-E956 PolarHBondContact NH2-OE2 2.94Å; R928-E956 VanDerWaalsContact NH2-OE2 3.12Å; R928-P957 HydrophobicContact CG-CG 4.22Å; R928-E1262 PolarHBondContact NH1-O 3.24Å; R928-E1262 IonicContact NH2-OE2 2.57Å; R928-E1262 PolarHBondContact NH2-OE2 2.04Å |
| 929 | N | 91.1 | Very high | 85.3 | Confident | 7.5 Ų | 7.5 | 38.7 Ų | 38.7 | 4% | 0.04 | 20% | 0.2 | C | C | . | . | trans | -109.7 | 146 | 170.9 | -83.6 | -85.5 | 0 | 0 | 0 | 111.4 | L904 N907 Q908 L909 L926 Q927 L931 T960 | L904-N929 PolarHBondContact O-ND2 3.07Å; N907-N929 VanDerWaalsContact CA-OD1 3.28Å; N907-N929 WeakPolarHBondContact CA-OD1 3.37Å; N907-N929 WeakPolarHBondContact CB-OD1 3.3Å; N907-N929 PolarHBondContact N-OD1 3.14Å; N907-N929 PolarHBondContact O-OD1 3.12Å; N907-N929 VanDerWaalsContact O-OD1 3.1Å; Q908-N929 PolarHBondContact N-OD1 2.99Å; L909-N929 HydrophobicContact CB-CB 4.29Å; L909-N929 VanDerWaalsContact CB-OD1 3.28Å; L909-N929 WeakPolarHBondContact CB-OD1 3.33Å; L909-N929 WeakPolarHBondContact CG-OD1 3.22Å; L909-N929 PolarHBondContact N-OD1 3.13Å; L909-N929 VanDerWaalsContact N-OD1 3.1Å; L926-N929 PolarHBondContact O-ND2 3.19Å; Q927-N929 VanDerWaalsContact C-N 3.29Å; Q927-N929 PolarHBondContact O-N 3.17Å; Q927-N929 PolarHBondContact O-ND2 2.92Å; N929-L931 VanDerWaalsContact C-N 3.27Å; N929-L931 HydrophobicContact CB-CD1 4.43Å; N929-L931 HydrophobicContact CB-CD2 4.28Å; N929-L931 HydrophobicContact CB-CG 4Å; N929-L931 PolarHBondContact O-N 3.2Å; N929-T960 VanDerWaalsContact O-O 3.12Å | ||
| 930 | P | 91.5 | Very high | 85.8 | Confident | 49.5 Ų | 49.5 | 36.1 Ų | 36.1 | 32% | 0.321 | 19% | 0.187 | S | C | . | . | trans | -80.4 | 50.3 | -178.2 | 36 | -39.1 | 0 | 0 | 0 | 113.3 | N907 Q908 L909 R932 S962 | N907-P930 VanDerWaalsContact O-CD 3.26Å; N907-P930 WeakPolarHBondContact O-CD 3.33Å; Q908-P930 VanDerWaalsContact C-CD 3.45Å; Q908-P930 WeakPolarHBondContact O-CG 3.21Å; L909-P930 CarbonylContact O-C 3.38Å; L909-P930 VanDerWaalsContact O-C 3.31Å; L909-P930 WeakPolarHBondContact O-CD 3.28Å; P930-R932 PolarHBondContact O-N 2.87Å; P930-S962 VanDerWaalsContact C-CB 3.49Å; P930-S962 VanDerWaalsContact C-OG 3.26Å; P930-S962 WeakPolarHBondContact CA-OG 3.25Å; P930-S962 WeakPolarHBondContact O-CB 3.28Å; P930-S962 PolarHBondContact O-OG 3.03Å | ||
| 931 | L | 90.6 | Very high | 86.4 | Confident | 0.75 Ų | 0.75 | 34.5 Ų | 34.5 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 133.3 | -169.5 | -67.7 | 166.5 | 0 | 0 | 0 | 113.5 | L909 S910 N929 I937 V959 C961 S962 S963 | L909-L931 HydrophobicContact CB-CD2 4.3Å; L909-L931 WeakPolarHBondContact O-CA 2.97Å; L909-L931 WeakPolarHBondContact O-CD2 3.28Å; L909-L931 PolarHBondContact O-N 3.06Å; S910-L931 CarbonylContact O-C 3.53Å; S910-L931 WeakPolarHBondContact O-CA 3.2Å; N929-L931 VanDerWaalsContact C-N 3.27Å; N929-L931 HydrophobicContact CB-CD1 4.43Å; N929-L931 HydrophobicContact CB-CD2 4.28Å; N929-L931 HydrophobicContact CB-CG 4Å; N929-L931 PolarHBondContact O-N 3.2Å; L931-I937 HydrophobicContact CB-CD1 4.12Å; L931-I937 HydrophobicContact CD1-CD1 4.21Å; L931-I937 HydrophobicContact CD2-CD1 4.06Å; L931-I937 HydrophobicContact CG-CD1 4.3Å; L931-V959 HydrophobicContact CD1-CG1 3.43Å; L931-V959 VanDerWaalsContact CD1-CG1 3.44Å; L931-C961 CarbonylContact O-C 3.45Å; L931-C961 VanDerWaalsContact O-CA 3.25Å; L931-C961 WeakPolarHBondContact O-CA 3.44Å; L931-S962 PolarHBondContact O-N 3.24Å; L931-S962 PolarHBondContact O-OG 2.82Å; L931-S963 PolarHBondContact O-N 3.22Å |
| 932 | R | 89.4 | Confident | 86.4 | Confident | 114.5 Ų | 114.5 | 40.5 Ų | 40.5 | 43% | 0.432 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 107.2 | 172.2 | -177.6 | 168.6 | 169.8 | -134.2 | -9.8 | 109.1 | S910 T911 P930 D934 S963 | S910-R932 VanDerWaalsContact O-CB 3.27Å; S910-R932 WeakPolarHBondContact O-CB 3.33Å; S910-R932 PolarHBondContact O-N 3.01Å; T911-R932 HydrophobicContact CG2-CB 4.23Å; P930-R932 PolarHBondContact O-N 2.87Å; R932-D934 VanDerWaalsContact C-N 3.29Å; R932-D934 IonicContact CZ-OD1 2.88Å; R932-D934 IonicContact CZ-OD2 3.11Å; R932-D934 IonicContact NE-OD1 3.81Å; R932-D934 IonicContact NE-OD2 2.84Å; R932-D934 PolarHBondContact NE-OD2 3.43Å; R932-D934 VanDerWaalsContact NH1-CG 3.28Å; R932-D934 IonicContact NH1-OD1 2.93Å; R932-D934 PolarHBondContact NH1-OD1 3.28Å; R932-D934 IonicContact NH1-OD2 2.63Å; R932-D934 PolarHBondContact NH1-OD2 3.39Å; R932-D934 IonicContact NH2-OD2 2.97Å; R932-D934 PolarHBondContact NH2-OD2 2.68Å; R932-D934 PolarHBondContact O-N 3.04Å; R932-D934 VanDerWaalsContact O-N 3.12Å; R932-S963 CarbonylContact C-O 3.33Å; R932-S963 WeakPolarHBondContact CA-O 3.24Å; R932-S963 WeakPolarHBondContact CA-OG 3.36Å; R932-S963 VanDerWaalsContact CB-OG 3.27Å; R932-S963 WeakPolarHBondContact CB-OG 3.37Å; R932-S963 WeakPolarHBondContact CG-OG 3.34Å |
| 933 | C | 86.5 | Confident | 86.6 | Confident | 2.5 Ų | 2.5 | 38.6 Ų | 38.6 | 2% | 0.017 | 18% | 0.182 | C | C | . | . | trans | -99.3 | 56.7 | -172.1 | -66.5 | 0 | 0 | 0 | 0 | 112.3 | I937 C961 S963 M967 M975 | C933-I937 HydrophobicContact CB-CG2 4.2Å; C933-C961 HydrophobicContact CB-CB 3.63Å; C933-C961 WeakPolarHBondContact CB-SG 3.33Å; C933-C961 WeakPolarHBondContact SG-CB 3.28Å; C933-C961 CovalentContact SG-SG 2.02Å; C933-C961 PolarHBondContact SG-SG 3.12Å; C933-S963 PolarHBondContact N-O 3.12Å; C933-M967 HydrophobicContact CB-CB 4.26Å; C933-M967 HydrophobicContact CB-CE 4.28Å; C933-M967 HydrophobicContact CB-CG 4.49Å; C933-M967 VanDerWaalsContact O-CE 3.31Å; C933-M967 WeakPolarHBondContact O-CE 3.49Å; C933-M975 HydrophobicContact CB-CE 3.96Å; C933-M975 HydrophobicContact CB-SD 3.64Å; C933-M975 WeakPolarHBondContact CB-SD 3.47Å; C933-M975 WeakPolarHBondContact O-CE 3.41Å; C933-M975 VanDerWaalsContact SG-SD 3.68Å | ||
| 934 | D | 84.4 | Confident | 86.6 | Confident | 48.5 Ų | 48.5 | 38.5 Ų | 38.5 | 26% | 0.259 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -100.2 | -160.4 | 163.1 | 71.3 | -3.8 | 0 | 0 | 0 | 110.4 | R932 S936 I937 | R932-D934 VanDerWaalsContact C-N 3.29Å; R932-D934 IonicContact CZ-OD1 2.88Å; R932-D934 IonicContact CZ-OD2 3.11Å; R932-D934 IonicContact NE-OD1 3.81Å; R932-D934 IonicContact NE-OD2 2.84Å; R932-D934 PolarHBondContact NE-OD2 3.43Å; R932-D934 VanDerWaalsContact NH1-CG 3.28Å; R932-D934 IonicContact NH1-OD1 2.93Å; R932-D934 PolarHBondContact NH1-OD1 3.28Å; R932-D934 IonicContact NH1-OD2 2.63Å; R932-D934 PolarHBondContact NH1-OD2 3.39Å; R932-D934 IonicContact NH2-OD2 2.97Å; R932-D934 PolarHBondContact NH2-OD2 2.68Å; R932-D934 PolarHBondContact O-N 3.04Å; R932-D934 VanDerWaalsContact O-N 3.12Å; D934-S936 PolarHBondContact O-N 2.95Å; D934-S936 VanDerWaalsContact O-N 3.07Å; D934-S936 VanDerWaalsContact OD1-CB 3.29Å; D934-S936 WeakPolarHBondContact OD1-CB 3.31Å; D934-S936 PolarHBondContact OD1-N 2.97Å; D934-S936 VanDerWaalsContact OD1-N 3.07Å; D934-S936 PolarHBondContact OD1-OG 3.08Å; D934-I937 PolarHBondContact O-N 3.13Å; D934-I937 VanDerWaalsContact O-N 3.17Å |
| 935 | E | 81.5 | Confident | 86.1 | Confident | 175.25 Ų | 175.25 | 41.1 Ų | 41.1 | 82% | 0.819 | 20% | 0.199 | S | C | * | . | G | 310 helix | trans | -55.5 | -25.9 | -179.6 | -61.2 | -172.8 | 157.7 | 0 | 0 | 113.5 | I937 T938 | E935-I937 VanDerWaalsContact C-N 3.28Å; E935-I937 PolarHBondContact O-N 3.02Å; E935-T938 WeakPolarHBondContact CA-OG1 3.35Å; E935-T938 VanDerWaalsContact O-CB 3.29Å; E935-T938 WeakPolarHBondContact O-CB 3.31Å; E935-T938 PolarHBondContact O-N 2.93Å; E935-T938 VanDerWaalsContact O-N 3.08Å; E935-T938 PolarHBondContact O-OG1 2.95Å |
| 936 | S | 81 | Confident | 85.4 | Confident | 44.5 Ų | 44.5 | 43.3 Ų | 43.3 | 31% | 0.311 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -64.8 | -22.7 | -178.4 | 67 | 0 | 0 | 0 | 0 | 114.8 | T911 D934 W939 | T911-S936 WeakPolarHBondContact CG2-OG 3.4Å; D934-S936 PolarHBondContact O-N 2.95Å; D934-S936 VanDerWaalsContact O-N 3.07Å; D934-S936 VanDerWaalsContact OD1-CB 3.29Å; D934-S936 WeakPolarHBondContact OD1-CB 3.31Å; D934-S936 PolarHBondContact OD1-N 2.97Å; D934-S936 VanDerWaalsContact OD1-N 3.07Å; D934-S936 PolarHBondContact OD1-OG 3.08Å; S936-W939 VanDerWaalsContact O-CD1 3.23Å; S936-W939 PolarHBondContact O-NE1 3.21Å |
| 937 | I | 84.5 | Confident | 84.8 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.015 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -94.9 | -5.1 | 176.9 | -149.7 | 166.2 | 0 | 0 | 0 | 113.3 | L931 C933 D934 E935 W939 L940 I941 L972 M975 | L931-I937 HydrophobicContact CB-CD1 4.12Å; L931-I937 HydrophobicContact CD1-CD1 4.21Å; L931-I937 HydrophobicContact CD2-CD1 4.06Å; L931-I937 HydrophobicContact CG-CD1 4.3Å; C933-I937 HydrophobicContact CB-CG2 4.2Å; D934-I937 PolarHBondContact O-N 3.13Å; D934-I937 VanDerWaalsContact O-N 3.17Å; E935-I937 VanDerWaalsContact C-N 3.28Å; E935-I937 PolarHBondContact O-N 3.02Å; I937-W939 VanDerWaalsContact C-N 3.3Å; I937-W939 PolarHBondContact O-N 3.27Å; I937-L940 HydrophobicContact CD1-CD2 4.15Å; I937-L940 HydrophobicContact CG1-CB 4.03Å; I937-L940 HydrophobicContact CG1-CD2 3.82Å; I937-L940 WeakPolarHBondContact O-CB 3.34Å; I937-L940 PolarHBondContact O-N 3.14Å; I937-I941 HydrophobicContact CG2-CD1 3.91Å; I937-I941 HydrophobicContact CG2-CG1 4.46Å; I937-I941 PolarHBondContact O-N 3.08Å; I937-I941 VanDerWaalsContact O-N 3.11Å; I937-L972 HydrophobicContact CD1-CD1 4.15Å; I937-L972 HydrophobicContact CG2-CD1 4.43Å; I937-M975 HydrophobicContact CG2-CE 3.51Å; I937-M975 HydrophobicContact CG2-SD 4.2Å |
| 938 | T | 82.6 | Confident | 84.1 | Confident | 49 Ų | 49 | 53.9 Ų | 53.9 | 30% | 0.301 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.3 | -36.4 | -173.7 | -46.9 | 0 | 0 | 0 | 0 | 112.4 | E935 L940 I941 K942 E979 | E935-T938 WeakPolarHBondContact CA-OG1 3.35Å; E935-T938 VanDerWaalsContact O-CB 3.29Å; E935-T938 WeakPolarHBondContact O-CB 3.31Å; E935-T938 PolarHBondContact O-N 2.93Å; E935-T938 VanDerWaalsContact O-N 3.08Å; E935-T938 PolarHBondContact O-OG1 2.95Å; T938-L940 VanDerWaalsContact C-N 3.3Å; T938-L940 PolarHBondContact O-N 3.03Å; T938-I941 CarbonylContact O-C 3.55Å; T938-I941 WeakPolarHBondContact O-CB 2.74Å; T938-I941 PolarHBondContact O-N 2.97Å; T938-K942 HydrophobicContact CG2-CD 4.27Å; T938-K942 WeakPolarHBondContact O-CB 3.45Å; T938-K942 WeakPolarHBondContact O-CG 3.3Å; T938-K942 PolarHBondContact O-N 2.96Å; T938-E979 HydrophobicContact CG2-CG 4.2Å; T938-E979 WeakPolarHBondContact CG2-OE1 3.46Å |
| 939 | W | 87.7 | Confident | 83.5 | Confident | 34.25 Ų | 34.25 | 48.7 Ų | 48.7 | 13% | 0.13 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.5 | -34.8 | 174.9 | 80.9 | -92.9 | 0 | 0 | 0 | 111.7 | I912 E913 E914 F917 S936 I937 K942 Y943 | I912-W939 HydrophobicContact CB-CZ2 3.98Å; I912-W939 HydrophobicContact CG2-CH2 4.21Å; I912-W939 HydrophobicContact CG2-CZ2 3.75Å; I912-W939 WeakPolarHBondContact O-CZ2 3.37Å; I912-W939 PolarHBondContact O-NE1 3.06Å; E913-W939 VanDerWaalsContact C-CZ2 3.46Å; E913-W939 WeakPolarHBondContact O-CH2 3.09Å; E913-W939 WeakPolarHBondContact O-CZ2 3.29Å; E914-W939 VanDerWaalsContact CA-CD2 3.41Å; E914-W939 VanDerWaalsContact CA-CE2 3.48Å; E914-W939 HydrophobicContact CB-CB 4.23Å; E914-W939 HydrophobicContact CB-CD2 3.98Å; E914-W939 HydrophobicContact CB-CE3 4.38Å; E914-W939 HydrophobicContact CB-CG 3.8Å; E914-W939 HydrophobicContact CG-CB 3.96Å; E914-W939 HydrophobicContact CG-CD2 3.99Å; E914-W939 HydrophobicContact CG-CE3 4.26Å; E914-W939 HydrophobicContact CG-CG 3.82Å; F917-W939 HydrophobicContact CB-CH2 4.43Å; F917-W939 AromaticContact CD2-CH2 3.84Å; F917-W939 HydrophobicContact CD2-CH2 3.84Å; F917-W939 HydrophobicContact CD2-CZ3 4.39Å; F917-W939 HydrophobicContact CE2-CH2 4.36Å; F917-W939 HydrophobicContact CG-CH2 4.34Å; S936-W939 VanDerWaalsContact O-CD1 3.23Å; S936-W939 PolarHBondContact O-NE1 3.21Å; I937-W939 VanDerWaalsContact C-N 3.3Å; I937-W939 PolarHBondContact O-N 3.27Å; W939-K942 CarbonylContact O-C 3.42Å; W939-K942 VanDerWaalsContact O-C 3.31Å; W939-K942 VanDerWaalsContact O-CA 3.29Å; W939-K942 WeakPolarHBondContact O-CA 2.87Å; W939-K942 VanDerWaalsContact O-CB 3.31Å; W939-K942 WeakPolarHBondContact O-CB 3.38Å; W939-K942 PolarHBondContact O-N 3.28Å; W939-Y943 HydrophobicContact CZ3-CD1 4.32Å; W939-Y943 AromaticContact CZ3-CG 3.91Å; W939-Y943 HydrophobicContact CZ3-CG 4.18Å; W939-Y943 VanDerWaalsContact O-CB 3.31Å; W939-Y943 WeakPolarHBondContact O-CB 3.26Å; W939-Y943 PolarHBondContact O-N 3.17Å |
| 940 | L | 87.1 | Confident | 82.8 | Confident | 0.25 Ų | 0.25 | 53.2 Ų | 53.2 | 0% | 0.001 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -72.2 | -40.1 | 179.3 | -177.1 | 69.3 | 0 | 0 | 0 | 110.7 | I912 F917 L924 L926 I937 T938 K942 Y943 I944 | I912-L940 HydrophobicContact CB-CD2 4.5Å; I912-L940 HydrophobicContact CD1-CD1 4.29Å; I912-L940 HydrophobicContact CD1-CD2 3.92Å; I912-L940 HydrophobicContact CG1-CD2 4.44Å; F917-L940 HydrophobicContact CD2-CD1 4.01Å; F917-L940 HydrophobicContact CE2-CD1 3.79Å; L924-L940 HydrophobicContact CD2-CD1 4.46Å; L926-L940 HydrophobicContact CD1-CD2 4.1Å; I937-L940 HydrophobicContact CD1-CD2 4.15Å; I937-L940 HydrophobicContact CG1-CB 4.03Å; I937-L940 HydrophobicContact CG1-CD2 3.82Å; I937-L940 WeakPolarHBondContact O-CB 3.34Å; I937-L940 PolarHBondContact O-N 3.14Å; T938-L940 VanDerWaalsContact C-N 3.3Å; T938-L940 PolarHBondContact O-N 3.03Å; L940-K942 VanDerWaalsContact C-N 3.28Å; L940-K942 PolarHBondContact O-N 3.15Å; L940-K942 VanDerWaalsContact O-N 3.14Å; L940-Y943 HydrophobicContact CD1-CD1 4.25Å; L940-Y943 PolarHBondContact O-N 3.03Å; L940-I944 HydrophobicContact CD1-CD1 4.13Å; L940-I944 HydrophobicContact CD1-CG1 4.3Å; L940-I944 HydrophobicContact CD2-CD1 4.28Å; L940-I944 HydrophobicContact CG-CD1 3.93Å; L940-I944 HydrophobicContact CG-CG1 4.34Å; L940-I944 WeakPolarHBondContact O-CB 3.43Å; L940-I944 VanDerWaalsContact O-CG1 3.29Å; L940-I944 WeakPolarHBondContact O-CG1 3.39Å; L940-I944 PolarHBondContact O-N 3.14Å |
| 941 | I | 83.9 | Confident | 82.1 | Confident | 5.5 Ų | 5.5 | 50.9 Ų | 50.9 | 3% | 0.028 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.3 | -36.2 | 170.2 | -69 | 172.4 | 0 | 0 | 0 | 110.7 | I937 T938 S945 L972 M975 M976 E979 F1024 | I937-I941 HydrophobicContact CG2-CD1 3.91Å; I937-I941 HydrophobicContact CG2-CG1 4.46Å; I937-I941 PolarHBondContact O-N 3.08Å; I937-I941 VanDerWaalsContact O-N 3.11Å; T938-I941 CarbonylContact O-C 3.55Å; T938-I941 WeakPolarHBondContact O-CB 2.74Å; T938-I941 PolarHBondContact O-N 2.97Å; I941-S945 WeakPolarHBondContact O-CB 3.28Å; I941-S945 PolarHBondContact O-N 3.22Å; I941-S945 PolarHBondContact O-OG 2.99Å; I941-L972 HydrophobicContact CD1-CD1 3.88Å; I941-L972 HydrophobicContact CD1-CG 4.5Å; I941-L972 HydrophobicContact CG1-CD1 3.79Å; I941-L972 HydrophobicContact CG1-CD2 4.49Å; I941-L972 HydrophobicContact CG1-CG 4.28Å; I941-M975 HydrophobicContact CD1-CB 3.79Å; I941-M975 VanDerWaalsContact CD1-CB 3.41Å; I941-M975 HydrophobicContact CD1-CE 3.77Å; I941-M975 HydrophobicContact CD1-CG 4.33Å; I941-M975 HydrophobicContact CD1-SD 4.16Å; I941-M976 HydrophobicContact CB-CG 4.43Å; I941-M976 HydrophobicContact CG1-CE 4.28Å; I941-M976 HydrophobicContact CG1-CG 4.06Å; I941-M976 HydrophobicContact CG2-CB 4.45Å; I941-M976 HydrophobicContact CG2-CG 3.95Å; I941-E979 HydrophobicContact CG2-CB 4.04Å; I941-E979 HydrophobicContact CG2-CG 4.13Å; I941-F1024 VanDerWaalsContact C-CZ 3.47Å; I941-F1024 WeakPolarHBondContact O-CE2 3.06Å; I941-F1024 WeakPolarHBondContact O-CZ 3.26Å |
| 942 | K | 82.4 | Confident | 81.1 | Confident | 130.5 Ų | 130.5 | 52.6 Ų | 52.6 | 57% | 0.567 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -73.7 | -41.1 | 174.6 | -150.8 | 178.4 | 177.8 | -178.7 | 0 | 112.7 | T938 W939 L940 S945 S946 E979 F1024 | T938-K942 HydrophobicContact CG2-CD 4.27Å; T938-K942 WeakPolarHBondContact O-CB 3.45Å; T938-K942 WeakPolarHBondContact O-CG 3.3Å; T938-K942 PolarHBondContact O-N 2.96Å; W939-K942 CarbonylContact O-C 3.42Å; W939-K942 VanDerWaalsContact O-C 3.31Å; W939-K942 VanDerWaalsContact O-CA 3.29Å; W939-K942 WeakPolarHBondContact O-CA 2.87Å; W939-K942 VanDerWaalsContact O-CB 3.31Å; W939-K942 WeakPolarHBondContact O-CB 3.38Å; W939-K942 PolarHBondContact O-N 3.28Å; L940-K942 VanDerWaalsContact C-N 3.28Å; L940-K942 PolarHBondContact O-N 3.15Å; L940-K942 VanDerWaalsContact O-N 3.14Å; K942-S945 CarbonylContact O-C 3.56Å; K942-S945 WeakPolarHBondContact O-CB 3.29Å; K942-S945 PolarHBondContact O-N 3.08Å; K942-S945 VanDerWaalsContact O-N 3.12Å; K942-S946 WeakPolarHBondContact O-CB 3.21Å; K942-S946 PolarHBondContact O-N 2.85Å; K942-S946 PolarHBondContact O-OG 3.08Å; K942-E979 WeakPolarHBondContact CE-OE1 3.29Å; K942-E979 IonicContact NZ-OE1 2.66Å; K942-E979 PolarHBondContact NZ-OE1 3.13Å; K942-F1024 VanDerWaalsContact C-CE1 3.49Å; K942-F1024 WeakPolarHBondContact O-CE1 2.97Å; K942-F1024 VanDerWaalsContact O-CZ 3.26Å; K942-F1024 WeakPolarHBondContact O-CZ 3.25Å |
| 943 | Y | 85 | Confident | 80 | Confident | 20 Ų | 20 | 47.6 Ų | 47.6 | 8% | 0.078 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68 | -42.4 | 178 | 169.2 | -96.1 | 0 | 0 | 0 | 113.7 | F917 N919 I921 L924 W939 L940 S945 S946 E947 V949 F1024 | F917-Y943 HydrophobicContact CB-CD1 4.1Å; F917-Y943 HydrophobicContact CB-CD2 3.96Å; F917-Y943 HydrophobicContact CB-CE1 3.66Å; F917-Y943 HydrophobicContact CB-CE2 3.81Å; F917-Y943 VanDerWaalsContact CB-CE2 3.49Å; F917-Y943 HydrophobicContact CB-CG 4.1Å; F917-Y943 VanDerWaalsContact CB-CZ 3.45Å; F917-Y943 WeakPolarHBondContact CB-OH 3.44Å; F917-Y943 HydrophobicContact CD1-CE1 4.48Å; F917-Y943 AromaticContact CD2-CD1 3.55Å; F917-Y943 HydrophobicContact CD2-CD1 4.04Å; F917-Y943 AromaticContact CD2-CE1 3.66Å; F917-Y943 HydrophobicContact CD2-CE1 3.76Å; F917-Y943 VanDerWaalsContact CD2-CE1 3.47Å; F917-Y943 HydrophobicContact CD2-CG 4.43Å; F917-Y943 HydrophobicContact CE2-CE1 4.41Å; F917-Y943 AromaticContact CG-CD1 4Å; F917-Y943 HydrophobicContact CG-CD1 4Å; F917-Y943 AromaticContact CG-CE1 3.53Å; F917-Y943 HydrophobicContact CG-CE1 3.97Å; F917-Y943 AromaticContact CG-CZ 3.89Å; F917-Y943 VanDerWaalsContact O-CE2 3.3Å; F917-Y943 WeakPolarHBondContact O-CE2 3.19Å; N919-Y943 PolarHBondContact O-OH 3.15Å; I921-Y943 PolarHBondContact N-OH 3Å; I921-Y943 VanDerWaalsContact N-OH 3.1Å; L924-Y943 HydrophobicContact CD2-CE1 4.44Å; W939-Y943 HydrophobicContact CZ3-CD1 4.32Å; W939-Y943 AromaticContact CZ3-CG 3.91Å; W939-Y943 HydrophobicContact CZ3-CG 4.18Å; W939-Y943 VanDerWaalsContact O-CB 3.31Å; W939-Y943 WeakPolarHBondContact O-CB 3.26Å; W939-Y943 PolarHBondContact O-N 3.17Å; L940-Y943 HydrophobicContact CD1-CD1 4.25Å; L940-Y943 PolarHBondContact O-N 3.03Å; Y943-S945 PolarHBondContact O-N 2.98Å; Y943-S946 WeakPolarHBondContact CA-OG 3.1Å; Y943-S946 PolarHBondContact O-N 2.77Å; Y943-S946 PolarHBondContact O-OG 3.12Å; Y943-E947 HydrophobicContact CD2-CB 4.46Å; Y943-E947 HydrophobicContact CD2-CG 3.7Å; Y943-E947 HydrophobicContact CE2-CB 4.26Å; Y943-E947 HydrophobicContact CE2-CG 3.56Å; Y943-E947 VanDerWaalsContact CE2-CG 3.45Å; Y943-E947 HydrophobicContact CG-CG 4.47Å; Y943-E947 PolarHBondContact O-N 2.91Å; Y943-V949 HydrophobicContact CD1-CG2 4.17Å; Y943-V949 HydrophobicContact CE1-CG2 3.67Å; Y943-V949 WeakPolarHBondContact OH-CG2 2.91Å; Y943-F1024 VanDerWaalsContact C-CD1 3.44Å; Y943-F1024 VanDerWaalsContact CA-CE1 3.48Å; Y943-F1024 VanDerWaalsContact N-CZ 3.31Å; Y943-F1024 WeakPolarHBondContact O-CD1 3.35Å; Y943-F1024 WeakPolarHBondContact O-CE1 3.26Å |
| 944 | I | 83.8 | Confident | 78.4 | Confident | 3.25 Ų | 3.25 | 50.9 Ų | 50.9 | 2% | 0.017 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.3 | -29.1 | 169.2 | -55.5 | 168.4 | 0 | 0 | 0 | 113.6 | L924 L926 L940 V949 S951 L972 M976 L1023 F1024 | L924-I944 HydrophobicContact CD2-CD1 4.2Å; L926-I944 HydrophobicContact CD1-CD1 4.17Å; L940-I944 HydrophobicContact CD1-CD1 4.13Å; L940-I944 HydrophobicContact CD1-CG1 4.3Å; L940-I944 HydrophobicContact CD2-CD1 4.28Å; L940-I944 HydrophobicContact CG-CD1 3.93Å; L940-I944 HydrophobicContact CG-CG1 4.34Å; L940-I944 WeakPolarHBondContact O-CB 3.43Å; L940-I944 VanDerWaalsContact O-CG1 3.29Å; L940-I944 WeakPolarHBondContact O-CG1 3.39Å; L940-I944 PolarHBondContact O-N 3.14Å; I944-V949 HydrophobicContact CB-CB 4.4Å; I944-V949 HydrophobicContact CG1-CB 4.38Å; I944-V949 HydrophobicContact CG2-CB 4.14Å; I944-V949 HydrophobicContact CG2-CG2 4.4Å; I944-V949 WeakPolarHBondContact CG2-O 3.37Å; I944-V949 PolarHBondContact O-N 2.97Å; I944-V949 VanDerWaalsContact O-N 3.14Å; I944-S951 WeakPolarHBondContact CG2-OG 3.4Å; I944-L972 HydrophobicContact CD1-CD2 4.17Å; I944-M976 HydrophobicContact CB-CE 4.3Å; I944-M976 HydrophobicContact CG2-CE 3.57Å; I944-M976 HydrophobicContact CG2-SD 3.99Å; I944-L1023 WeakPolarHBondContact O-CB 3.36Å; I944-L1023 WeakPolarHBondContact O-CD1 3.41Å; I944-L1023 WeakPolarHBondContact O-CD2 3.17Å; I944-L1023 WeakPolarHBondContact O-CG 3.45Å; I944-F1024 HydrophobicContact CB-CB 4.1Å; I944-F1024 HydrophobicContact CB-CD1 3.78Å; I944-F1024 HydrophobicContact CB-CD2 2.63Å; I944-F1024 HydrophobicContact CB-CE1 3.97Å; I944-F1024 HydrophobicContact CB-CE2 2.9Å; I944-F1024 HydrophobicContact CB-CG 3.14Å; I944-F1024 HydrophobicContact CB-CZ 3.56Å; I944-F1024 HydrophobicContact CG1-CD2 4.19Å; I944-F1024 HydrophobicContact CG1-CE2 4.2Å; I944-F1024 HydrophobicContact CG2-CB 3.39Å; I944-F1024 HydrophobicContact CG2-CD1 4.12Å; I944-F1024 HydrophobicContact CG2-CD2 2.9Å; I944-F1024 HydrophobicContact CG2-CE2 3.9Å; I944-F1024 HydrophobicContact CG2-CG 3.04Å; I944-F1024 VanDerWaalsContact N-CD1 3.25Å; I944-F1024 WeakPolarHBondContact O-CA 3.45Å; I944-F1024 WeakPolarHBondContact O-CB 3.35Å; I944-F1024 WeakPolarHBondContact O-CD1 3.19Å; I944-F1024 WeakPolarHBondContact O-CD2 3.16Å; I944-F1024 WeakPolarHBondContact O-CE1 3.3Å; I944-F1024 WeakPolarHBondContact O-CE2 3.3Å; I944-F1024 WeakPolarHBondContact O-CG 3.02Å; I944-F1024 PolarHBondContact O-N 2.95Å |
| 945 | S | 77.9 | Confident | 77.1 | Confident | 54.75 Ų | 54.75 | 52.2 Ų | 52.2 | 38% | 0.383 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -78.1 | -31 | 168.8 | -56.4 | 0 | 0 | 0 | 0 | 114 | I941 K942 Y943 K948 M976 | I941-S945 WeakPolarHBondContact O-CB 3.28Å; I941-S945 PolarHBondContact O-N 3.22Å; I941-S945 PolarHBondContact O-OG 2.99Å; K942-S945 CarbonylContact O-C 3.56Å; K942-S945 WeakPolarHBondContact O-CB 3.29Å; K942-S945 PolarHBondContact O-N 3.08Å; K942-S945 VanDerWaalsContact O-N 3.12Å; Y943-S945 PolarHBondContact O-N 2.98Å; S945-K948 WeakPolarHBondContact O-CD 3.17Å; S945-K948 WeakPolarHBondContact O-CE 3.36Å; S945-M976 WeakPolarHBondContact OG-CE 3.39Å |
| 946 | S | 74.9 | Confident | 76.4 | Confident | 48.75 Ų | 48.75 | 45.2 Ų | 45.2 | 34% | 0.341 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -82.6 | -56.8 | -177.5 | 69.8 | 0 | 0 | 0 | 0 | 113.6 | K942 Y943 K948 L1000 Q1003 | K942-S946 WeakPolarHBondContact O-CB 3.21Å; K942-S946 PolarHBondContact O-N 2.85Å; K942-S946 PolarHBondContact O-OG 3.08Å; Y943-S946 WeakPolarHBondContact CA-OG 3.1Å; Y943-S946 PolarHBondContact O-N 2.77Å; Y943-S946 PolarHBondContact O-OG 3.12Å; S946-K948 VanDerWaalsContact C-CG 3.4Å; S946-K948 WeakPolarHBondContact O-CG 3.33Å; S946-K948 PolarHBondContact O-N 3.08Å; S946-K948 VanDerWaalsContact O-N 3.11Å; S946-L1000 WeakPolarHBondContact O-CD1 3.28Å; S946-Q1003 VanDerWaalsContact CA-CD 3.49Å |
| 947 | E | 76.8 | Confident | 76.1 | Confident | 94.25 Ų | 94.25 | 45.9 Ų | 45.9 | 44% | 0.44 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -5.1 | -174 | -49.5 | -42.1 | 115.8 | 0 | 0 | 112.7 | Y943 V949 | Y943-E947 HydrophobicContact CD2-CB 4.46Å; Y943-E947 HydrophobicContact CD2-CG 3.7Å; Y943-E947 HydrophobicContact CE2-CB 4.26Å; Y943-E947 HydrophobicContact CE2-CG 3.56Å; Y943-E947 VanDerWaalsContact CE2-CG 3.45Å; Y943-E947 HydrophobicContact CG-CG 4.47Å; Y943-E947 PolarHBondContact O-N 2.91Å; E947-V949 HydrophobicContact CB-CG2 3.87Å; E947-V949 PolarHBondContact O-N 3.12Å |
| 948 | K | 73.4 | Confident | 75.9 | Confident | 128.25 Ų | 128.25 | 48.1 Ų | 48.1 | 56% | 0.558 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 45.6 | 175.5 | -60.2 | -170.7 | -170.7 | 159.2 | 0 | 113.9 | S945 S946 R950 I996 L1000 F1024 P1025 A1026 | S945-K948 WeakPolarHBondContact O-CD 3.17Å; S945-K948 WeakPolarHBondContact O-CE 3.36Å; S946-K948 VanDerWaalsContact C-CG 3.4Å; S946-K948 WeakPolarHBondContact O-CG 3.33Å; S946-K948 PolarHBondContact O-N 3.08Å; S946-K948 VanDerWaalsContact O-N 3.11Å; K948-R950 PolarHBondContact O-N 3.15Å; K948-I996 WeakPolarHBondContact CE-O 3.2Å; K948-I996 PolarHBondContact NZ-O 2.99Å; K948-L1000 HydrophobicContact CD-CD1 4.12Å; K948-L1000 HydrophobicContact CD-CD2 4.5Å; K948-L1000 HydrophobicContact CG-CD1 4.27Å; K948-F1024 CarbonylContact C-O 3.15Å; K948-F1024 VanDerWaalsContact C-O 3.25Å; K948-F1024 VanDerWaalsContact CB-C 3.48Å; K948-F1024 HydrophobicContact CB-CB 3.98Å; K948-F1024 HydrophobicContact CB-CD1 3.95Å; K948-F1024 HydrophobicContact CB-CG 4.4Å; K948-F1024 HydrophobicContact CD-CD1 4.31Å; K948-F1024 HydrophobicContact CG-CB 4.37Å; K948-F1024 HydrophobicContact CG-CD1 3.62Å; K948-F1024 HydrophobicContact CG-CG 4.37Å; K948-P1025 VanDerWaalsContact CD-O 3.28Å; K948-P1025 WeakPolarHBondContact CD-O 3.45Å; K948-P1025 PolarHBondContact NZ-O 2.76Å; K948-P1025 WeakPolarHBondContact O-CA 3.31Å; K948-A1026 HydrophobicContact CB-CB 3.53Å; K948-A1026 HydrophobicContact CD-CB 4.02Å; K948-A1026 HydrophobicContact CG-CB 3.53Å |
| 949 | V | 78.2 | Confident | 76 | Confident | 7 Ų | 7 | 45.9 Ų | 45.9 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | trans | -67.9 | 119.6 | 179.4 | -170.9 | 0 | 0 | 0 | 0 | 111.7 | I921 L924 Y943 I944 E947 S951 F1024 | I921-V949 HydrophobicContact CB-CG1 3.87Å; I921-V949 HydrophobicContact CB-CG2 4.3Å; I921-V949 HydrophobicContact CG2-CG1 4.01Å; I921-V949 WeakPolarHBondContact O-CA 3.25Å; I921-V949 VanDerWaalsContact O-CB 3.24Å; I921-V949 WeakPolarHBondContact O-CB 3.31Å; I921-V949 WeakPolarHBondContact O-CG1 3.07Å; I921-V949 WeakPolarHBondContact O-CG2 3.44Å; L924-V949 HydrophobicContact CB-CB 4.41Å; L924-V949 HydrophobicContact CB-CG1 3.35Å; L924-V949 VanDerWaalsContact CB-CG1 3.5Å; L924-V949 HydrophobicContact CD2-CG1 4.17Å; L924-V949 HydrophobicContact CG-CG1 4.27Å; Y943-V949 HydrophobicContact CD1-CG2 4.17Å; Y943-V949 HydrophobicContact CE1-CG2 3.67Å; Y943-V949 WeakPolarHBondContact OH-CG2 2.91Å; I944-V949 HydrophobicContact CB-CB 4.4Å; I944-V949 HydrophobicContact CG1-CB 4.38Å; I944-V949 HydrophobicContact CG2-CB 4.14Å; I944-V949 HydrophobicContact CG2-CG2 4.4Å; I944-V949 WeakPolarHBondContact CG2-O 3.37Å; I944-V949 PolarHBondContact O-N 2.97Å; I944-V949 VanDerWaalsContact O-N 3.14Å; E947-V949 HydrophobicContact CB-CG2 3.87Å; E947-V949 PolarHBondContact O-N 3.12Å; V949-S951 PolarHBondContact O-N 3.1Å; V949-S951 VanDerWaalsContact O-N 3.15Å; V949-S951 PolarHBondContact O-OG 3.24Å; V949-F1024 CarbonylContact C-O 3.28Å; V949-F1024 WeakPolarHBondContact O-CB 3.1Å | ||
| 950 | R | 76.7 | Confident | 76 | Confident | 103.25 Ų | 103.25 | 46.9 Ų | 46.9 | 39% | 0.39 | 26% | 0.259 | S | S | . | . | B | Isolated β-bridge | trans | -74.7 | 106.3 | 173.8 | -171.3 | -178.3 | -176.2 | -177.3 | 1.9 | 109.6 | N24 T922 N923 L924 K948 F952 F953 F1024 | N24-R950 HydrophobicContact CB-CG 3.8Å; N24-R950 PolarHBondContact ND2-NE 3.15Å; N24-R950 VanDerWaalsContact ND2-NE 3.15Å; N24-R950 PolarHBondContact ND2-NH2 2.85Å; N24-R950 PolarHBondContact OD1-NH2 3.13Å; T922-R950 WeakPolarHBondContact O-CB 3.15Å; T922-R950 PolarHBondContact O-N 3.01Å; N923-R950 CarbonylContact C-O 3.53Å; N923-R950 WeakPolarHBondContact CA-O 3.35Å; L924-R950 PolarHBondContact N-O 3.03Å; K948-R950 PolarHBondContact O-N 3.15Å; R950-F952 PolarHBondContact NE-O 2.77Å; R950-F953 HydrophobicContact CB-CZ 4.04Å; R950-F953 HydrophobicContact CG-CD1 4.48Å; R950-F953 HydrophobicContact CG-CE1 3.93Å; R950-F953 HydrophobicContact CG-CE2 4.05Å; R950-F953 HydrophobicContact CG-CZ 3.77Å; R950-F953 VanDerWaalsContact O-CE2 3.26Å; R950-F953 WeakPolarHBondContact O-CE2 3.33Å; R950-F953 VanDerWaalsContact O-CZ 3.26Å; R950-F953 WeakPolarHBondContact O-CZ 3.28Å; R950-F1024 WeakPolarHBondContact CA-O 3.28Å; R950-F1024 PolarHBondContact N-O 3.42Å |
| 951 | S | 75.1 | Confident | 76.1 | Confident | 0.75 Ų | 0.75 | 47.1 Ų | 47.1 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | trans | -112 | -9 | -179.5 | 50 | 0 | 0 | 0 | 0 | 115.3 | L924 I944 V949 S1022 | L924-S951 CarbonylContact O-C 3.5Å; L924-S951 VanDerWaalsContact O-CA 3.25Å; L924-S951 WeakPolarHBondContact O-CA 3.33Å; L924-S951 VanDerWaalsContact O-CB 3.27Å; L924-S951 WeakPolarHBondContact O-CB 3.35Å; I944-S951 WeakPolarHBondContact CG2-OG 3.4Å; V949-S951 PolarHBondContact O-N 3.1Å; V949-S951 VanDerWaalsContact O-N 3.15Å; V949-S951 PolarHBondContact O-OG 3.24Å; S951-S1022 PolarHBondContact N-OG 2.74Å; S951-S1022 WeakPolarHBondContact OG-CB 3.33Å; S951-S1022 PolarHBondContact OG-OG 3.47Å | ||
| 952 | F | 70.2 | Confident | 76.3 | Confident | 36.5 Ų | 36.5 | 49.7 Ų | 49.7 | 16% | 0.16 | 28% | 0.278 | C | S | . | . | trans | -118.9 | 117.7 | -179.2 | -54.9 | -93.2 | 0 | 0 | 0 | 110.8 | N24 L26 N48 R950 D958 V959 L972 R973 M976 S1021 S1022 | N24-F952 WeakPolarHBondContact CA-O 3.26Å; N24-F952 WeakPolarHBondContact CB-O 3.11Å; L26-F952 HydrophobicContact CD1-CE1 4.35Å; L26-F952 HydrophobicContact CD1-CE2 4.48Å; L26-F952 HydrophobicContact CD1-CZ 3.84Å; L26-F952 HydrophobicContact CD2-CD1 4.17Å; L26-F952 HydrophobicContact CD2-CE1 3.39Å; L26-F952 HydrophobicContact CD2-CZ 3.74Å; L26-F952 HydrophobicContact CG-CE1 4.14Å; L26-F952 HydrophobicContact CG-CZ 4.11Å; N48-F952 PolarHBondContact ND2-O 2.95Å; R950-F952 PolarHBondContact NE-O 2.77Å; F952-D958 VanDerWaalsContact CD1-OD1 3.23Å; F952-D958 WeakPolarHBondContact CD1-OD1 3.22Å; F952-D958 WeakPolarHBondContact CE1-OD1 3.15Å; F952-V959 HydrophobicContact CD1-CB 4.03Å; F952-V959 HydrophobicContact CD1-CG2 3.61Å; F952-V959 HydrophobicContact CD2-CB 4.43Å; F952-V959 HydrophobicContact CD2-CG2 3.56Å; F952-V959 HydrophobicContact CE1-CB 3.89Å; F952-V959 HydrophobicContact CE1-CG2 3.87Å; F952-V959 VanDerWaalsContact CE1-CG2 3.45Å; F952-V959 VanDerWaalsContact CE1-N 3.33Å; F952-V959 HydrophobicContact CE2-CB 3.92Å; F952-V959 HydrophobicContact CE2-CG2 3.46Å; F952-V959 VanDerWaalsContact CE2-CG2 3.46Å; F952-V959 HydrophobicContact CG-CG2 3.72Å; F952-V959 HydrophobicContact CZ-CB 3.38Å; F952-V959 HydrophobicContact CZ-CG1 4.38Å; F952-V959 HydrophobicContact CZ-CG2 3.44Å; F952-V959 VanDerWaalsContact CZ-CG2 3.44Å; F952-L972 HydrophobicContact CZ-CB 4.19Å; F952-L972 HydrophobicContact CZ-CD2 4.22Å; F952-R973 HydrophobicContact CD1-CG 4.48Å; F952-R973 HydrophobicContact CE1-CB 3.7Å; F952-R973 HydrophobicContact CE1-CG 4.2Å; F952-R973 HydrophobicContact CE2-CB 4.2Å; F952-R973 HydrophobicContact CE2-CG 4.35Å; F952-R973 HydrophobicContact CZ-CB 3.7Å; F952-R973 HydrophobicContact CZ-CG 4.17Å; F952-M976 HydrophobicContact CE2-CE 4.12Å; F952-M976 HydrophobicContact CE2-SD 3.67Å; F952-M976 HydrophobicContact CZ-SD 3.86Å; F952-S1021 VanDerWaalsContact CD1-CA 3.46Å; F952-S1021 VanDerWaalsContact O-CB 3.24Å; F952-S1021 WeakPolarHBondContact O-CB 3.29Å; F952-S1022 VanDerWaalsContact CD2-CA 3.43Å; F952-S1022 VanDerWaalsContact CE2-CB 3.42Å; F952-S1022 VanDerWaalsContact CG-CB 3.41Å | ||
| 953 | F | 67.3 | Low | 76.4 | Confident | 9.5 Ų | 9.5 | 45.1 Ų | 45.1 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | trans | -115.8 | 143.1 | -169.2 | -70.6 | -97.8 | 0 | 0 | 0 | 111.8 | N24 N48 W901 N923 L925 R950 G955 E956 Y1265 | N24-F953 WeakPolarHBondContact ND2-CD1 3.09Å; N24-F953 WeakPolarHBondContact ND2-CE1 3.33Å; N24-F953 VanDerWaalsContact ND2-CG 3.27Å; N24-F953 WeakPolarHBondContact ND2-CG 3.31Å; N48-F953 VanDerWaalsContact ND2-C 3.31Å; N48-F953 PolarHBondContact ND2-O 2.99Å; W901-F953 AromaticContact CH2-CD1 3.76Å; W901-F953 HydrophobicContact CH2-CD1 4.13Å; W901-F953 AromaticContact CH2-CE1 3.63Å; W901-F953 HydrophobicContact CH2-CE1 3.73Å; W901-F953 HydrophobicContact CH2-CZ 4.27Å; W901-F953 HydrophobicContact CZ2-CE1 4.48Å; W901-F953 HydrophobicContact CZ3-CD1 4.26Å; W901-F953 AromaticContact CZ3-CE1 3.8Å; W901-F953 HydrophobicContact CZ3-CE1 3.8Å; W901-F953 HydrophobicContact CZ3-CZ 4.35Å; N923-F953 HydrophobicContact CB-CE1 4.4Å; N923-F953 HydrophobicContact CB-CZ 3.82Å; N923-F953 WeakPolarHBondContact OD1-CZ 3.42Å; L925-F953 HydrophobicContact CD1-CD1 4.47Å; L925-F953 HydrophobicContact CD1-CD2 3.85Å; L925-F953 HydrophobicContact CD1-CE1 4.4Å; L925-F953 HydrophobicContact CD1-CE2 3.43Å; L925-F953 VanDerWaalsContact CD1-CE2 3.44Å; L925-F953 HydrophobicContact CD1-CG 4.09Å; L925-F953 HydrophobicContact CD1-CZ 3.78Å; L925-F953 HydrophobicContact CD2-CB 4.39Å; L925-F953 HydrophobicContact CD2-CD2 4.18Å; L925-F953 HydrophobicContact CD2-CE2 4.45Å; L925-F953 HydrophobicContact CD2-CG 4.23Å; L925-F953 HydrophobicContact CG-CD2 3.72Å; L925-F953 VanDerWaalsContact CG-CD2 3.48Å; L925-F953 HydrophobicContact CG-CE2 3.75Å; L925-F953 HydrophobicContact CG-CG 4.31Å; L925-F953 HydrophobicContact CG-CZ 4.39Å; R950-F953 HydrophobicContact CB-CZ 4.04Å; R950-F953 HydrophobicContact CG-CD1 4.48Å; R950-F953 HydrophobicContact CG-CE1 3.93Å; R950-F953 HydrophobicContact CG-CE2 4.05Å; R950-F953 HydrophobicContact CG-CZ 3.77Å; R950-F953 VanDerWaalsContact O-CE2 3.26Å; R950-F953 WeakPolarHBondContact O-CE2 3.33Å; R950-F953 VanDerWaalsContact O-CZ 3.26Å; R950-F953 WeakPolarHBondContact O-CZ 3.28Å; F953-G955 PolarHBondContact O-N 3.08Å; F953-E956 HydrophobicContact CB-CB 4.37Å; F953-E956 HydrophobicContact CB-CG 4.09Å; F953-E956 PolarHBondContact O-N 3.07Å; F953-Y1265 HydrophobicContact CB-CD2 4.5Å; F953-Y1265 HydrophobicContact CB-CE2 3.89Å; F953-Y1265 HydrophobicContact CD1-CE1 4.25Å; F953-Y1265 HydrophobicContact CD1-CE2 4.25Å; F953-Y1265 AromaticContact CD1-CZ 3.97Å; F953-Y1265 HydrophobicContact CG-CE2 4.27Å | ||
| 954 | P | 51.7 | Low | 76.4 | Confident | 72.5 Ų | 72.5 | 46.1 Ų | 46.1 | 47% | 0.471 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 128.2 | 177 | -21.1 | 32.7 | 0 | 0 | 0 | 111.2 | N24 N48 Y1265 | N24-P954 WeakPolarHBondContact OD1-CD 2.88Å; N24-P954 WeakPolarHBondContact OD1-CG 2.61Å; N48-P954 HydrophobicContact CB-CB 4.35Å; N48-P954 HydrophobicContact CB-CG 3.98Å; N48-P954 WeakPolarHBondContact ND2-CA 3.17Å; N48-P954 VanDerWaalsContact OD1-CA 3.27Å; N48-P954 WeakPolarHBondContact OD1-CA 3.4Å; P954-Y1265 WeakPolarHBondContact O-CE2 3.34Å; P954-Y1265 PolarHBondContact O-OH 3.19Å |
| 955 | G | 58.2 | Low | 76.4 | Confident | 75 Ų | 75 | 51.5 Ų | 51.5 | 77% | 0.773 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.7 | -15.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | F953 | F953-G955 PolarHBondContact O-N 3.08Š|
| 956 | E | 66.3 | Low | 76.6 | Confident | 28.5 Ų | 28.5 | 56.7 Ų | 56.7 | 13% | 0.133 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -94.8 | 148.9 | 174.5 | -71.1 | -65 | 158.4 | 0 | 0 | 111.7 | Q927 R928 F953 P1264 Y1265 | Q927-E956 HydrophobicContact CG-CB 4.11Å; Q927-E956 HydrophobicContact CG-CG 4.44Å; Q927-E956 VanDerWaalsContact NE2-CB 3.34Å; R928-E956 IonicContact CZ-OE2 3.16Å; R928-E956 IonicContact NH1-OE2 3.18Å; R928-E956 PolarHBondContact NH1-OE2 3.12Å; R928-E956 IonicContact NH2-OE2 2.82Å; R928-E956 PolarHBondContact NH2-OE2 2.94Å; R928-E956 VanDerWaalsContact NH2-OE2 3.12Å; F953-E956 HydrophobicContact CB-CB 4.37Å; F953-E956 HydrophobicContact CB-CG 4.09Å; F953-E956 PolarHBondContact O-N 3.07Å; E956-P1264 HydrophobicContact CG-CG 4.21Å; E956-P1264 VanDerWaalsContact OE1-CD 3.26Å; E956-P1264 WeakPolarHBondContact OE1-CD 3.34Å; E956-P1264 WeakPolarHBondContact OE1-CG 3.28Å; E956-Y1265 HydrophobicContact CG-CD2 4.29Å; E956-Y1265 HydrophobicContact CG-CE2 4.24Å |
| 957 | P | 74.8 | Confident | 76.8 | Confident | 59.5 Ų | 59.5 | 56.6 Ų | 56.6 | 39% | 0.386 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 158.6 | 176.3 | 31.2 | -34.4 | 0 | 0 | 0 | 111.5 | Q927 R928 | Q927-P957 HydrophobicContact CB-CG 4.36Å; Q927-P957 HydrophobicContact CG-CG 4.36Å; Q927-P957 WeakPolarHBondContact CG-O 2.92Å; Q927-P957 PolarHBondContact NE2-O 3.2Å; Q927-P957 VanDerWaalsContact NE2-O 3.08Å; Q927-P957 PolarHBondContact OE1-O 3.46Å; Q927-P957 VanDerWaalsContact OE1-O 3.07Å; R928-P957 HydrophobicContact CG-CG 4.22Å |
| 958 | D | 79.7 | Confident | 77.1 | Confident | 49.75 Ų | 49.75 | 54.6 Ų | 54.6 | 27% | 0.266 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 143.3 | 174.7 | -96.3 | -25.2 | 0 | 0 | 0 | 111.6 | F952 T960 A971 R973 V1020 S1021 | F952-D958 VanDerWaalsContact CD1-OD1 3.23Å; F952-D958 WeakPolarHBondContact CD1-OD1 3.22Å; F952-D958 WeakPolarHBondContact CE1-OD1 3.15Å; D958-T960 HydrophobicContact CB-CG2 4.31Å; D958-T960 PolarHBondContact O-N 3.22Å; D958-T960 VanDerWaalsContact O-N 3.08Å; D958-T960 PolarHBondContact O-OG1 3.45Å; D958-A971 HydrophobicContact CB-CB 3.97Å; D958-A971 WeakPolarHBondContact OD2-CB 3.21Å; D958-R973 WeakPolarHBondContact OD1-CD 3.37Å; D958-R973 IonicContact OD1-CZ 2.74Å; D958-R973 IonicContact OD1-NE 3.31Å; D958-R973 PolarHBondContact OD1-NE 3.11Å; D958-R973 IonicContact OD1-NH1 3.14Å; D958-R973 VanDerWaalsContact OD2-CD 3.3Å; D958-R973 WeakPolarHBondContact OD2-CD 3.32Å; D958-R973 IonicContact OD2-NE 2.98Å; D958-R973 PolarHBondContact OD2-NE 2.99Å; D958-R973 IonicContact OD2-NH1 2.69Å; D958-V1020 VanDerWaalsContact CG-CA 3.45Å; D958-V1020 WeakPolarHBondContact OD2-CA 3.49Å; D958-V1020 PolarHBondContact OD2-N 2.98Å; D958-S1021 PolarHBondContact OD1-N 3.16Å |
| 959 | V | 85.4 | Confident | 77.6 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | trans | -62.2 | 121.4 | 168.9 | -176.8 | 0 | 0 | 0 | 0 | 108.5 | L926 Q927 L931 F952 A971 L972 | L926-V959 HydrophobicContact CB-CG1 4.25Å; L926-V959 HydrophobicContact CB-CG2 3.98Å; Q927-V959 HydrophobicContact CG-CG2 4.36Å; L931-V959 HydrophobicContact CD1-CG1 3.43Å; L931-V959 VanDerWaalsContact CD1-CG1 3.44Å; F952-V959 HydrophobicContact CD1-CB 4.03Å; F952-V959 HydrophobicContact CD1-CG2 3.61Å; F952-V959 HydrophobicContact CD2-CB 4.43Å; F952-V959 HydrophobicContact CD2-CG2 3.56Å; F952-V959 HydrophobicContact CE1-CB 3.89Å; F952-V959 HydrophobicContact CE1-CG2 3.87Å; F952-V959 VanDerWaalsContact CE1-CG2 3.45Å; F952-V959 VanDerWaalsContact CE1-N 3.33Å; F952-V959 HydrophobicContact CE2-CB 3.92Å; F952-V959 HydrophobicContact CE2-CG2 3.46Å; F952-V959 VanDerWaalsContact CE2-CG2 3.46Å; F952-V959 HydrophobicContact CG-CG2 3.72Å; F952-V959 HydrophobicContact CZ-CB 3.38Å; F952-V959 HydrophobicContact CZ-CG1 4.38Å; F952-V959 HydrophobicContact CZ-CG2 3.44Å; F952-V959 VanDerWaalsContact CZ-CG2 3.44Å; V959-A971 CarbonylContact O-C 3.32Å; V959-A971 VanDerWaalsContact O-CA 3.29Å; V959-A971 WeakPolarHBondContact O-CA 3.29Å; V959-L972 HydrophobicContact CB-CB 4.11Å; V959-L972 HydrophobicContact CB-CD2 4.41Å; V959-L972 HydrophobicContact CG1-CB 4.14Å; V959-L972 HydrophobicContact CG1-CD2 4.12Å; V959-L972 WeakPolarHBondContact O-CB 3.44Å; V959-L972 PolarHBondContact O-N 2.91Å | ||
| 960 | T | 87.7 | Confident | 77.9 | Confident | 56.5 Ų | 56.5 | 55.4 Ų | 55.4 | 35% | 0.347 | 34% | 0.34 | S | S | . | . | B | Isolated β-bridge | trans | -118.6 | 150.2 | -176.4 | 46.1 | 0 | 0 | 0 | 0 | 112.8 | N929 D958 K970 A971 | N929-T960 VanDerWaalsContact O-O 3.12Å; D958-T960 HydrophobicContact CB-CG2 4.31Å; D958-T960 PolarHBondContact O-N 3.22Å; D958-T960 VanDerWaalsContact O-N 3.08Å; D958-T960 PolarHBondContact O-OG1 3.45Å; T960-K970 CarbonylContact C-O 3.55Å; T960-K970 WeakPolarHBondContact CA-O 3.38Å; T960-A971 HydrophobicContact CG2-CB 4Å |
| 961 | C | 89.1 | Confident | 78.2 | Confident | 3.25 Ų | 3.25 | 51.4 Ų | 51.4 | 2% | 0.022 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 142.3 | 175.5 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | L931 C933 M967 A968 G969 K970 M975 | L931-C961 CarbonylContact O-C 3.45Å; L931-C961 VanDerWaalsContact O-CA 3.25Å; L931-C961 WeakPolarHBondContact O-CA 3.44Å; C933-C961 HydrophobicContact CB-CB 3.63Å; C933-C961 WeakPolarHBondContact CB-SG 3.33Å; C933-C961 WeakPolarHBondContact SG-CB 3.28Å; C933-C961 CovalentContact SG-SG 2.02Å; C933-C961 PolarHBondContact SG-SG 3.12Å; C961-M967 HydrophobicContact CB-CB 4.36Å; C961-M967 VanDerWaalsContact CB-O 3.26Å; C961-M967 WeakPolarHBondContact CB-O 3.29Å; C961-A968 CarbonylContact O-C 3.35Å; C961-A968 WeakPolarHBondContact O-CA 3.28Å; C961-G969 PolarHBondContact O-N 3.04Å; C961-K970 WeakPolarHBondContact CB-O 3.19Å; C961-K970 PolarHBondContact N-O 2.98Å; C961-K970 PolarHBondContact SG-O 3.38Å; C961-K970 VanDerWaalsContact SG-O 3.4Å; C961-M975 PolarHBondContact SG-SD 3Å |
| 962 | S | 88.3 | Confident | 78.7 | Confident | 60 Ų | 60 | 51.4 Ų | 51.4 | 42% | 0.42 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | -25.8 | 174.8 | 88.3 | 0 | 0 | 0 | 0 | 113.4 | P930 L931 A968 | P930-S962 VanDerWaalsContact C-CB 3.49Å; P930-S962 VanDerWaalsContact C-OG 3.26Å; P930-S962 WeakPolarHBondContact CA-OG 3.25Å; P930-S962 WeakPolarHBondContact O-CB 3.28Å; P930-S962 PolarHBondContact O-OG 3.03Å; L931-S962 PolarHBondContact O-N 3.24Å; L931-S962 PolarHBondContact O-OG 2.82Å; S962-A968 WeakPolarHBondContact O-CB 3.39Å |
| 963 | S | 84.3 | Confident | 79.1 | Confident | 35.25 Ų | 35.25 | 54.3 Ų | 54.3 | 25% | 0.247 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 162.4 | -175 | 58.1 | 0 | 0 | 0 | 0 | 111 | L931 R932 C933 | L931-S963 PolarHBondContact O-N 3.22Å; R932-S963 CarbonylContact C-O 3.33Å; R932-S963 WeakPolarHBondContact CA-O 3.24Å; R932-S963 WeakPolarHBondContact CA-OG 3.36Å; R932-S963 VanDerWaalsContact CB-OG 3.27Å; R932-S963 WeakPolarHBondContact CB-OG 3.37Å; R932-S963 WeakPolarHBondContact CG-OG 3.34Å; C933-S963 PolarHBondContact N-O 3.12Å |
| 964 | P | 84.5 | Confident | 79.7 | Confident | 39.75 Ų | 39.75 | 56.3 Ų | 56.3 | 26% | 0.258 | 35% | 0.354 | S | S | . | . | S | Bend | cis | -58.5 | 167.6 | -14.4 | 28.9 | -36.4 | 0 | 0 | 0 | 111.9 | E966 M967 A968 | P964-E966 PolarHBondContact O-N 3.12Å; P964-M967 HydrophobicContact CG-CB 4.42Å; P964-M967 HydrophobicContact CG-CG 4.15Å; P964-M967 WeakPolarHBondContact O-CA 3.35Å; P964-M967 PolarHBondContact O-N 3Å; P964-A968 PolarHBondContact O-N 3.09Å; P964-A968 VanDerWaalsContact O-N 3.15Å |
| 965 | P | 83.1 | Confident | 80.9 | Confident | 118.25 Ų | 118.25 | 54 Ų | 54 | 77% | 0.768 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -54 | -31.8 | -174.3 | -28.9 | 36.7 | 0 | 0 | 0 | 114.6 | M967 A968 | P965-M967 PolarHBondContact O-N 3.02Å; P965-A968 WeakPolarHBondContact O-CB 3.33Å; P965-A968 PolarHBondContact O-N 2.99Å |
| 966 | E | 82.3 | Confident | 81.7 | Confident | 163.5 Ų | 163.5 | 51.7 Ų | 51.7 | 76% | 0.764 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -64 | -18.3 | 175.2 | -63 | 164.9 | -156.9 | 0 | 0 | 114.3 | P964 K970 | P964-E966 PolarHBondContact O-N 3.12Å; E966-K970 WeakPolarHBondContact O-CE 3.2Å; E966-K970 PolarHBondContact O-NZ 3.28Å |
| 967 | M | 80.6 | Confident | 82 | Confident | 45.75 Ų | 45.75 | 54.2 Ų | 54.2 | 23% | 0.225 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -111.3 | -8.8 | 178.8 | -62.1 | -63.8 | -122.2 | 0 | 0 | 112.9 | C933 C961 P964 P965 G969 K970 M975 | C933-M967 HydrophobicContact CB-CB 4.26Å; C933-M967 HydrophobicContact CB-CE 4.28Å; C933-M967 HydrophobicContact CB-CG 4.49Å; C933-M967 VanDerWaalsContact O-CE 3.31Å; C933-M967 WeakPolarHBondContact O-CE 3.49Å; C961-M967 HydrophobicContact CB-CB 4.36Å; C961-M967 VanDerWaalsContact CB-O 3.26Å; C961-M967 WeakPolarHBondContact CB-O 3.29Å; P964-M967 HydrophobicContact CG-CB 4.42Å; P964-M967 HydrophobicContact CG-CG 4.15Å; P964-M967 WeakPolarHBondContact O-CA 3.35Å; P964-M967 PolarHBondContact O-N 3Å; P965-M967 PolarHBondContact O-N 3.02Å; M967-G969 PolarHBondContact O-N 2.88Å; M967-K970 HydrophobicContact CE-CD 3.99Å; M967-K970 VanDerWaalsContact O-CB 3.3Å; M967-K970 WeakPolarHBondContact O-CB 3.21Å; M967-K970 PolarHBondContact O-N 3.21Å; M967-K970 VanDerWaalsContact O-N 3.12Å; M967-K970 HydrophobicContact SD-CD 3.75Å; M967-K970 PolarHBondContact SD-NZ 2.9Å; M967-K970 VanDerWaalsContact SD-NZ 3.37Å; M967-M975 HydrophobicContact CE-CE 3.82Å; M967-M975 HydrophobicContact CE-CG 3.8Å; M967-M975 HydrophobicContact CE-SD 3.6Å; M967-M975 WeakPolarHBondContact CE-SD 3.42Å |
| 968 | A | 83.1 | Confident | 81.8 | Confident | 53.75 Ų | 53.75 | 53.9 Ų | 53.9 | 44% | 0.444 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 132.3 | -178 | 0 | 0 | 0 | 0 | 0 | 111.8 | C961 S962 P964 P965 K970 | C961-A968 CarbonylContact O-C 3.35Å; C961-A968 WeakPolarHBondContact O-CA 3.28Å; S962-A968 WeakPolarHBondContact O-CB 3.39Å; P964-A968 PolarHBondContact O-N 3.09Å; P964-A968 VanDerWaalsContact O-N 3.15Å; P965-A968 WeakPolarHBondContact O-CB 3.33Å; P965-A968 PolarHBondContact O-N 2.99Å; A968-K970 VanDerWaalsContact C-N 3.26Å; A968-K970 PolarHBondContact O-N 3.14Å; A968-K970 VanDerWaalsContact O-N 3.14Å |
| 969 | G | 82.5 | Confident | 81.2 | Confident | 60.5 Ų | 60.5 | 54 Ų | 54 | 62% | 0.624 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | -9.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | C961 M967 A971 | C961-G969 PolarHBondContact O-N 3.04Å; M967-G969 PolarHBondContact O-N 2.88Å; G969-A971 PolarHBondContact O-N 2.83Å |
| 970 | K | 84 | Confident | 80.1 | Confident | 91.5 Ų | 91.5 | 55.6 Ų | 55.6 | 40% | 0.398 | 33% | 0.332 | S | S | . | . | trans | -68.6 | 133.9 | 171.8 | -68.3 | 179.5 | -175.3 | 153 | 0 | 109.8 | T960 C961 E966 M967 A968 | T960-K970 CarbonylContact C-O 3.55Å; T960-K970 WeakPolarHBondContact CA-O 3.38Å; C961-K970 WeakPolarHBondContact CB-O 3.19Å; C961-K970 PolarHBondContact N-O 2.98Å; C961-K970 PolarHBondContact SG-O 3.38Å; C961-K970 VanDerWaalsContact SG-O 3.4Å; E966-K970 WeakPolarHBondContact O-CE 3.2Å; E966-K970 PolarHBondContact O-NZ 3.28Å; M967-K970 HydrophobicContact CE-CD 3.99Å; M967-K970 VanDerWaalsContact O-CB 3.3Å; M967-K970 WeakPolarHBondContact O-CB 3.21Å; M967-K970 PolarHBondContact O-N 3.21Å; M967-K970 VanDerWaalsContact O-N 3.12Å; M967-K970 HydrophobicContact SD-CD 3.75Å; M967-K970 PolarHBondContact SD-NZ 2.9Å; M967-K970 VanDerWaalsContact SD-NZ 3.37Å; A968-K970 VanDerWaalsContact C-N 3.26Å; A968-K970 PolarHBondContact O-N 3.14Å; A968-K970 VanDerWaalsContact O-N 3.14Å | ||
| 971 | A | 84.7 | Confident | 78.7 | Confident | 18 Ų | 18 | 55.1 Ų | 55.1 | 15% | 0.149 | 33% | 0.327 | C | S | . | . | B | Isolated β-bridge | trans | -71 | 139.7 | 171 | 0 | 0 | 0 | 0 | 0 | 110.5 | D958 V959 T960 G969 R973 S974 M975 | D958-A971 HydrophobicContact CB-CB 3.97Å; D958-A971 WeakPolarHBondContact OD2-CB 3.21Å; V959-A971 CarbonylContact O-C 3.32Å; V959-A971 VanDerWaalsContact O-CA 3.29Å; V959-A971 WeakPolarHBondContact O-CA 3.29Å; T960-A971 HydrophobicContact CG2-CB 4Å; G969-A971 PolarHBondContact O-N 2.83Å; A971-R973 HydrophobicContact CB-CB 4.06Å; A971-R973 VanDerWaalsContact CB-CB 3.4Å; A971-R973 HydrophobicContact CB-CG 4.37Å; A971-R973 WeakPolarHBondContact O-CA 3.46Å; A971-R973 WeakPolarHBondContact O-CB 3.48Å; A971-R973 PolarHBondContact O-N 2.92Å; A971-R973 VanDerWaalsContact O-N 3.12Å; A971-S974 WeakPolarHBondContact O-CA 2.97Å; A971-S974 WeakPolarHBondContact O-CB 3.49Å; A971-S974 PolarHBondContact O-N 3.2Å; A971-S974 PolarHBondContact O-OG 3.19Å; A971-M975 PolarHBondContact O-N 3.04Å |
| 972 | L | 84.2 | Confident | 77.2 | Confident | 0.75 Ų | 0.75 | 60.6 Ų | 60.6 | 0% | 0.004 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -55.2 | -27.8 | 171.1 | -164.8 | 72.1 | 0 | 0 | 0 | 111.1 | I937 I941 I944 F952 V959 S974 M975 M976 | I937-L972 HydrophobicContact CD1-CD1 4.15Å; I937-L972 HydrophobicContact CG2-CD1 4.43Å; I941-L972 HydrophobicContact CD1-CD1 3.88Å; I941-L972 HydrophobicContact CD1-CG 4.5Å; I941-L972 HydrophobicContact CG1-CD1 3.79Å; I941-L972 HydrophobicContact CG1-CD2 4.49Å; I941-L972 HydrophobicContact CG1-CG 4.28Å; I944-L972 HydrophobicContact CD1-CD2 4.17Å; F952-L972 HydrophobicContact CZ-CB 4.19Å; F952-L972 HydrophobicContact CZ-CD2 4.22Å; V959-L972 HydrophobicContact CB-CB 4.11Å; V959-L972 HydrophobicContact CB-CD2 4.41Å; V959-L972 HydrophobicContact CG1-CB 4.14Å; V959-L972 HydrophobicContact CG1-CD2 4.12Å; V959-L972 WeakPolarHBondContact O-CB 3.44Å; V959-L972 PolarHBondContact O-N 2.91Å; L972-S974 VanDerWaalsContact C-N 3.29Å; L972-S974 PolarHBondContact O-N 3.2Å; L972-M975 HydrophobicContact CD1-SD 4.22Å; L972-M975 CarbonylContact O-C 3.4Å; L972-M975 WeakPolarHBondContact O-CA 3.46Å; L972-M975 WeakPolarHBondContact O-CB 3.26Å; L972-M975 PolarHBondContact O-N 2.94Å; L972-M975 VanDerWaalsContact O-N 3.11Å; L972-M976 HydrophobicContact CD2-CE 3.73Å; L972-M976 HydrophobicContact CG-CE 3.9Å; L972-M976 HydrophobicContact CG-SD 4.35Å; L972-M976 WeakPolarHBondContact O-CB 2.98Å; L972-M976 WeakPolarHBondContact O-CG 3.46Å; L972-M976 PolarHBondContact O-N 2.98Å |
| 973 | R | 79.6 | Confident | 75.5 | Confident | 97.25 Ų | 97.25 | 61.2 Ų | 61.2 | 37% | 0.367 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -48.4 | -51.6 | 165.2 | -168.5 | 170.6 | -133.2 | -156.1 | -5 | 113 | T2 L26 L27 T28 N50 F952 D958 A971 M975 M976 I977 V1020 S1021 | T2-R973 WeakPolarHBondContact CB-O 3.43Å; T2-R973 HydrophobicContact CG2-CG 3.83Å; T2-R973 WeakPolarHBondContact CG2-O 3.28Å; T2-R973 PolarHBondContact OG1-O 2.78Å; L26-R973 VanDerWaalsContact C-CZ 3.41Å; L26-R973 VanDerWaalsContact C-NH1 3.35Å; L26-R973 VanDerWaalsContact CA-NH1 3.28Å; L26-R973 HydrophobicContact CB-CB 4.37Å; L26-R973 HydrophobicContact CB-CG 4.25Å; L26-R973 HydrophobicContact CD2-CB 3.29Å; L26-R973 HydrophobicContact CD2-CG 3.87Å; L26-R973 VanDerWaalsContact CD2-N 3.29Å; L26-R973 HydrophobicContact CG-CB 4.2Å; L26-R973 PolarHBondContact O-NH2 3.2Å; L27-R973 PolarHBondContact O-NH2 2.82Å; T28-R973 HydrophobicContact CG2-CG 4.15Å; N50-R973 VanDerWaalsContact CB-CZ 3.42Å; N50-R973 VanDerWaalsContact CB-NH1 3.26Å; N50-R973 VanDerWaalsContact N-NH1 3.13Å; N50-R973 PolarHBondContact ND2-NE 3.11Å; N50-R973 PolarHBondContact ND2-NH1 3.06Å; N50-R973 VanDerWaalsContact ND2-NH1 3.16Å; F952-R973 HydrophobicContact CD1-CG 4.48Å; F952-R973 HydrophobicContact CE1-CB 3.7Å; F952-R973 HydrophobicContact CE1-CG 4.2Å; F952-R973 HydrophobicContact CE2-CB 4.2Å; F952-R973 HydrophobicContact CE2-CG 4.35Å; F952-R973 HydrophobicContact CZ-CB 3.7Å; F952-R973 HydrophobicContact CZ-CG 4.17Å; D958-R973 WeakPolarHBondContact OD1-CD 3.37Å; D958-R973 IonicContact OD1-CZ 2.74Å; D958-R973 IonicContact OD1-NE 3.31Å; D958-R973 PolarHBondContact OD1-NE 3.11Å; D958-R973 IonicContact OD1-NH1 3.14Å; D958-R973 VanDerWaalsContact OD2-CD 3.3Å; D958-R973 WeakPolarHBondContact OD2-CD 3.32Å; D958-R973 IonicContact OD2-NE 2.98Å; D958-R973 PolarHBondContact OD2-NE 2.99Å; D958-R973 IonicContact OD2-NH1 2.69Å; A971-R973 HydrophobicContact CB-CB 4.06Å; A971-R973 VanDerWaalsContact CB-CB 3.4Å; A971-R973 HydrophobicContact CB-CG 4.37Å; A971-R973 WeakPolarHBondContact O-CA 3.46Å; A971-R973 WeakPolarHBondContact O-CB 3.48Å; A971-R973 PolarHBondContact O-N 2.92Å; A971-R973 VanDerWaalsContact O-N 3.12Å; R973-M975 VanDerWaalsContact C-N 3.3Å; R973-M975 PolarHBondContact O-N 2.75Å; R973-M975 VanDerWaalsContact O-N 3.16Å; R973-M976 PolarHBondContact O-N 3.3Å; R973-M976 VanDerWaalsContact O-N 3.12Å; R973-I977 HydrophobicContact CG-CD1 4.15Å; R973-I977 HydrophobicContact CG-CG1 4.49Å; R973-I977 WeakPolarHBondContact O-CB 3.16Å; R973-I977 VanDerWaalsContact O-CG1 3.25Å; R973-I977 WeakPolarHBondContact O-CG1 3.21Å; R973-I977 PolarHBondContact O-N 3.04Å; R973-I977 VanDerWaalsContact O-N 3.14Å; R973-V1020 PolarHBondContact NH1-O 3.29Å; R973-S1021 PolarHBondContact NH1-O 2.74Å |
| 974 | S | 79.5 | Confident | 73.6 | Confident | 52.25 Ų | 52.25 | 61.9 Ų | 61.9 | 37% | 0.365 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68.5 | -27.6 | 178.3 | 68 | 0 | 0 | 0 | 0 | 112.2 | A971 L972 I977 S978 | A971-S974 WeakPolarHBondContact O-CA 2.97Å; A971-S974 WeakPolarHBondContact O-CB 3.49Å; A971-S974 PolarHBondContact O-N 3.2Å; A971-S974 PolarHBondContact O-OG 3.19Å; L972-S974 VanDerWaalsContact C-N 3.29Å; L972-S974 PolarHBondContact O-N 3.2Å; S974-I977 VanDerWaalsContact O-CB 3.25Å; S974-I977 WeakPolarHBondContact O-CB 3.47Å; S974-I977 VanDerWaalsContact O-CG2 3.25Å; S974-I977 WeakPolarHBondContact O-CG2 3.24Å; S974-I977 PolarHBondContact O-N 3Å; S974-I977 VanDerWaalsContact O-N 3.13Å; S974-S978 WeakPolarHBondContact O-CA 3.43Å; S974-S978 WeakPolarHBondContact O-CB 3.37Å; S974-S978 PolarHBondContact O-N 3.16Å |
| 975 | M | 76.7 | Confident | 71.6 | Confident | 24.25 Ų | 24.25 | 63.2 Ų | 63.2 | 12% | 0.119 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -73.7 | -39.9 | 172.4 | -61.2 | -176.1 | 69.6 | 0 | 0 | 112.6 | C933 I937 I941 C961 M967 A971 L972 R973 I977 S978 E979 | C933-M975 HydrophobicContact CB-CE 3.96Å; C933-M975 HydrophobicContact CB-SD 3.64Å; C933-M975 WeakPolarHBondContact CB-SD 3.47Å; C933-M975 WeakPolarHBondContact O-CE 3.41Å; C933-M975 VanDerWaalsContact SG-SD 3.68Å; I937-M975 HydrophobicContact CG2-CE 3.51Å; I937-M975 HydrophobicContact CG2-SD 4.2Å; I941-M975 HydrophobicContact CD1-CB 3.79Å; I941-M975 VanDerWaalsContact CD1-CB 3.41Å; I941-M975 HydrophobicContact CD1-CE 3.77Å; I941-M975 HydrophobicContact CD1-CG 4.33Å; I941-M975 HydrophobicContact CD1-SD 4.16Å; C961-M975 PolarHBondContact SG-SD 3Å; M967-M975 HydrophobicContact CE-CE 3.82Å; M967-M975 HydrophobicContact CE-CG 3.8Å; M967-M975 HydrophobicContact CE-SD 3.6Å; M967-M975 WeakPolarHBondContact CE-SD 3.42Å; A971-M975 PolarHBondContact O-N 3.04Å; L972-M975 HydrophobicContact CD1-SD 4.22Å; L972-M975 CarbonylContact O-C 3.4Å; L972-M975 WeakPolarHBondContact O-CA 3.46Å; L972-M975 WeakPolarHBondContact O-CB 3.26Å; L972-M975 PolarHBondContact O-N 2.94Å; L972-M975 VanDerWaalsContact O-N 3.11Å; R973-M975 VanDerWaalsContact C-N 3.3Å; R973-M975 PolarHBondContact O-N 2.75Å; R973-M975 VanDerWaalsContact O-N 3.16Å; M975-I977 VanDerWaalsContact C-N 3.32Å; M975-I977 PolarHBondContact O-N 3.03Å; M975-S978 WeakPolarHBondContact CA-OG 3.25Å; M975-S978 CarbonylContact O-C 3.42Å; M975-S978 WeakPolarHBondContact O-CA 3.24Å; M975-S978 PolarHBondContact O-N 2.88Å; M975-S978 VanDerWaalsContact O-N 3.08Å; M975-S978 PolarHBondContact O-OG 3.17Å; M975-E979 VanDerWaalsContact O-CB 3.25Å; M975-E979 WeakPolarHBondContact O-CB 3.35Å; M975-E979 PolarHBondContact O-N 3Å |
| 976 | M | 74.6 | Confident | 69.5 | Low | 26 Ų | 26 | 60.8 Ų | 60.8 | 13% | 0.128 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.5 | -34.4 | 172 | -70.2 | 172.8 | 91.9 | 0 | 0 | 111.6 | T2 L26 I941 I944 S945 F952 L972 R973 S978 E979 A980 L1023 F1024 | T2-M976 WeakPolarHBondContact OG1-CB 3.35Å; L26-M976 HydrophobicContact CD1-CB 4.25Å; L26-M976 HydrophobicContact CD1-CG 4.24Å; L26-M976 HydrophobicContact CD1-SD 3.16Å; L26-M976 WeakPolarHBondContact CD1-SD 3.43Å; I941-M976 HydrophobicContact CB-CG 4.43Å; I941-M976 HydrophobicContact CG1-CE 4.28Å; I941-M976 HydrophobicContact CG1-CG 4.06Å; I941-M976 HydrophobicContact CG2-CB 4.45Å; I941-M976 HydrophobicContact CG2-CG 3.95Å; I944-M976 HydrophobicContact CB-CE 4.3Å; I944-M976 HydrophobicContact CG2-CE 3.57Å; I944-M976 HydrophobicContact CG2-SD 3.99Å; S945-M976 WeakPolarHBondContact OG-CE 3.39Å; F952-M976 HydrophobicContact CE2-CE 4.12Å; F952-M976 HydrophobicContact CE2-SD 3.67Å; F952-M976 HydrophobicContact CZ-SD 3.86Å; L972-M976 HydrophobicContact CD2-CE 3.73Å; L972-M976 HydrophobicContact CG-CE 3.9Å; L972-M976 HydrophobicContact CG-SD 4.35Å; L972-M976 WeakPolarHBondContact O-CB 2.98Å; L972-M976 WeakPolarHBondContact O-CG 3.46Å; L972-M976 PolarHBondContact O-N 2.98Å; R973-M976 PolarHBondContact O-N 3.3Å; R973-M976 VanDerWaalsContact O-N 3.12Å; M976-S978 VanDerWaalsContact C-N 3.34Å; M976-E979 PolarHBondContact O-N 3.17Å; M976-A980 VanDerWaalsContact O-CB 3.24Å; M976-A980 WeakPolarHBondContact O-CB 3.39Å; M976-A980 PolarHBondContact O-N 3.16Å; M976-L1023 HydrophobicContact CB-CD1 3.84Å; M976-L1023 HydrophobicContact CB-CG 4.28Å; M976-L1023 HydrophobicContact CE-CB 4.31Å; M976-L1023 HydrophobicContact CG-CD1 3.79Å; M976-L1023 HydrophobicContact CG-CG 4.43Å; M976-L1023 HydrophobicContact SD-CB 3.58Å; M976-L1023 VanDerWaalsContact SD-CB 3.58Å; M976-L1023 HydrophobicContact SD-CD1 3.8Å; M976-L1023 HydrophobicContact SD-CG 3.96Å; M976-F1024 HydrophobicContact CE-CD2 4.19Å; M976-F1024 HydrophobicContact CE-CE2 3.81Å |
| 977 | I | 74 | Confident | 67.3 | Low | 82 Ų | 82 | 60.1 Ų | 60.1 | 42% | 0.421 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.2 | -45.7 | 167.8 | -79.4 | 164.7 | 0 | 0 | 0 | 109.5 | T2 D3 T28 R973 S974 M975 E979 A980 N981 | T2-I977 VanDerWaalsContact C-CG1 3.49Å; T2-I977 HydrophobicContact CG2-CB 3.7Å; T2-I977 HydrophobicContact CG2-CD1 3.51Å; T2-I977 HydrophobicContact CG2-CG1 3.49Å; T2-I977 VanDerWaalsContact CG2-CG1 3.49Å; D3-I977 HydrophobicContact CB-CG1 4.28Å; T28-I977 WeakPolarHBondContact OG1-CD1 3.3Å; R973-I977 HydrophobicContact CG-CD1 4.15Å; R973-I977 HydrophobicContact CG-CG1 4.49Å; R973-I977 WeakPolarHBondContact O-CB 3.16Å; R973-I977 VanDerWaalsContact O-CG1 3.25Å; R973-I977 WeakPolarHBondContact O-CG1 3.21Å; R973-I977 PolarHBondContact O-N 3.04Å; R973-I977 VanDerWaalsContact O-N 3.14Å; S974-I977 VanDerWaalsContact O-CB 3.25Å; S974-I977 WeakPolarHBondContact O-CB 3.47Å; S974-I977 VanDerWaalsContact O-CG2 3.25Å; S974-I977 WeakPolarHBondContact O-CG2 3.24Å; S974-I977 PolarHBondContact O-N 3Å; S974-I977 VanDerWaalsContact O-N 3.13Å; M975-I977 VanDerWaalsContact C-N 3.32Å; M975-I977 PolarHBondContact O-N 3.03Å; I977-E979 VanDerWaalsContact C-N 3.33Å; I977-E979 PolarHBondContact O-N 2.98Å; I977-E979 VanDerWaalsContact O-N 3.08Å; I977-A980 PolarHBondContact O-N 3Å; I977-N981 VanDerWaalsContact O-CA 3.25Å; I977-N981 WeakPolarHBondContact O-CA 3.36Å; I977-N981 WeakPolarHBondContact O-CB 3.42Å; I977-N981 VanDerWaalsContact O-CG 3.28Å; I977-N981 PolarHBondContact O-N 3.1Å; I977-N981 PolarHBondContact O-OD1 3.08Å; I977-N981 VanDerWaalsContact O-OD1 3.13Å |
| 978 | S | 70.5 | Confident | 65.1 | Low | 53.5 Ų | 53.5 | 64.3 Ų | 64.3 | 37% | 0.374 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.8 | -27.1 | -178.9 | 128.4 | 0 | 0 | 0 | 0 | 113.6 | S974 M975 M976 N981 K982 | S974-S978 WeakPolarHBondContact O-CA 3.43Å; S974-S978 WeakPolarHBondContact O-CB 3.37Å; S974-S978 PolarHBondContact O-N 3.16Å; M975-S978 WeakPolarHBondContact CA-OG 3.25Å; M975-S978 CarbonylContact O-C 3.42Å; M975-S978 WeakPolarHBondContact O-CA 3.24Å; M975-S978 PolarHBondContact O-N 2.88Å; M975-S978 VanDerWaalsContact O-N 3.08Å; M975-S978 PolarHBondContact O-OG 3.17Å; M976-S978 VanDerWaalsContact C-N 3.34Å; S978-N981 CarbonylContact O-C 3.54Å; S978-N981 PolarHBondContact O-N 2.95Å; S978-K982 WeakPolarHBondContact O-CB 3.29Å; S978-K982 VanDerWaalsContact O-CG 3.26Å; S978-K982 WeakPolarHBondContact O-CG 3.41Å; S978-K982 PolarHBondContact O-N 2.96Å |
| 979 | E | 66.5 | Low | 62.5 | Low | 50 Ų | 50 | 68.3 Ų | 68.3 | 23% | 0.234 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -87.8 | -38.1 | 179.9 | -158.9 | 67 | -155.7 | 0 | 0 | 111.7 | T938 I941 K942 M975 M976 I977 N981 K982 T983 | T938-E979 HydrophobicContact CG2-CG 4.2Å; T938-E979 WeakPolarHBondContact CG2-OE1 3.46Å; I941-E979 HydrophobicContact CG2-CB 4.04Å; I941-E979 HydrophobicContact CG2-CG 4.13Å; K942-E979 WeakPolarHBondContact CE-OE1 3.29Å; K942-E979 IonicContact NZ-OE1 2.66Å; K942-E979 PolarHBondContact NZ-OE1 3.13Å; M975-E979 VanDerWaalsContact O-CB 3.25Å; M975-E979 WeakPolarHBondContact O-CB 3.35Å; M975-E979 PolarHBondContact O-N 3Å; M976-E979 PolarHBondContact O-N 3.17Å; I977-E979 VanDerWaalsContact C-N 3.33Å; I977-E979 PolarHBondContact O-N 2.98Å; I977-E979 VanDerWaalsContact O-N 3.08Å; E979-N981 VanDerWaalsContact C-N 3.27Å; E979-N981 PolarHBondContact O-N 3.05Å; E979-K982 HydrophobicContact CG-CD 4.48Å; E979-K982 CarbonylContact O-C 2.99Å; E979-K982 WeakPolarHBondContact O-CA 3.34Å; E979-K982 WeakPolarHBondContact O-CB 3.43Å; E979-K982 PolarHBondContact O-N 2.94Å; E979-K982 WeakPolarHBondContact OE1-CD 3.12Å; E979-K982 IonicContact OE1-NZ 3.31Å; E979-K982 WeakPolarHBondContact OE2-CD 3.36Å; E979-K982 WeakPolarHBondContact OE2-CE 3.36Å; E979-K982 IonicContact OE2-NZ 2.71Å; E979-K982 PolarHBondContact OE2-NZ 3.14Å; E979-T983 WeakPolarHBondContact O-CB 3.35Å; E979-T983 PolarHBondContact O-N 3.21Å; E979-T983 PolarHBondContact O-OG1 3.06Å |
| 980 | A | 61.8 | Low | 60.1 | Low | 34.75 Ų | 34.75 | 72.1 Ų | 72.1 | 29% | 0.287 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.2 | -42.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | M976 I977 K982 T983 I984 | M976-A980 VanDerWaalsContact O-CB 3.24Å; M976-A980 WeakPolarHBondContact O-CB 3.39Å; M976-A980 PolarHBondContact O-N 3.16Å; I977-A980 PolarHBondContact O-N 3Å; A980-K982 PolarHBondContact O-N 3.01Å; A980-T983 CarbonylContact O-C 3.36Å; A980-T983 VanDerWaalsContact O-CA 3.3Å; A980-T983 WeakPolarHBondContact O-CA 3.3Å; A980-T983 VanDerWaalsContact O-CB 3.31Å; A980-T983 WeakPolarHBondContact O-CB 3.43Å; A980-T983 PolarHBondContact O-N 3.21Å; A980-T983 VanDerWaalsContact O-N 3.17Å; A980-I984 WeakPolarHBondContact O-CD1 3.27Å; A980-I984 VanDerWaalsContact O-CG1 3.26Å; A980-I984 WeakPolarHBondContact O-CG1 3.33Å; A980-I984 PolarHBondContact O-N 2.67Å; A980-I984 VanDerWaalsContact O-N 3.11Å |
| 981 | N | 59 | Low | 57.5 | Low | 46.25 Ų | 46.25 | 72.8 Ų | 72.8 | 25% | 0.247 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67.1 | -46.9 | 172.2 | -70.1 | 4 | 0 | 0 | 0 | 112.1 | I977 S978 E979 T983 I984 T985 N990 S991 F1005 | I977-N981 VanDerWaalsContact O-CA 3.25Å; I977-N981 WeakPolarHBondContact O-CA 3.36Å; I977-N981 WeakPolarHBondContact O-CB 3.42Å; I977-N981 VanDerWaalsContact O-CG 3.28Å; I977-N981 PolarHBondContact O-N 3.1Å; I977-N981 PolarHBondContact O-OD1 3.08Å; I977-N981 VanDerWaalsContact O-OD1 3.13Å; S978-N981 CarbonylContact O-C 3.54Å; S978-N981 PolarHBondContact O-N 2.95Å; E979-N981 VanDerWaalsContact C-N 3.27Å; E979-N981 PolarHBondContact O-N 3.05Å; N981-T983 VanDerWaalsContact C-N 3.3Å; N981-T983 CarbonylContact O-C 3.47Å; N981-T983 PolarHBondContact O-N 3.04Å; N981-I984 CarbonylContact O-C 3.48Å; N981-I984 WeakPolarHBondContact O-CA 3.39Å; N981-I984 WeakPolarHBondContact O-CB 3.44Å; N981-I984 WeakPolarHBondContact O-CD1 3.37Å; N981-I984 WeakPolarHBondContact O-CG1 3.48Å; N981-I984 PolarHBondContact O-N 3.03Å; N981-I984 VanDerWaalsContact O-N 3.07Å; N981-T985 WeakPolarHBondContact CB-OG1 3.47Å; N981-T985 WeakPolarHBondContact O-CA 3.39Å; N981-T985 VanDerWaalsContact O-CB 3.22Å; N981-T985 WeakPolarHBondContact O-CB 3.41Å; N981-T985 PolarHBondContact O-N 2.94Å; N981-T985 PolarHBondContact O-OG1 2.87Å; N981-N990 HydrophobicContact CB-CB 4.19Å; N981-N990 WeakPolarHBondContact CB-OD1 3.39Å; N981-N990 PolarHBondContact ND2-OD1 3.11Å; N981-S991 VanDerWaalsContact OD1-CA 3.23Å; N981-S991 WeakPolarHBondContact OD1-CA 3.36Å; N981-S991 WeakPolarHBondContact OD1-CB 3.43Å; N981-S991 PolarHBondContact OD1-N 3.43Å; N981-F1005 VanDerWaalsContact C-CZ 3.46Å; N981-F1005 HydrophobicContact CB-CE1 4.39Å; N981-F1005 HydrophobicContact CB-CZ 3.83Å; N981-F1005 WeakPolarHBondContact O-CE2 3.46Å; N981-F1005 VanDerWaalsContact O-CZ 3.25Å; N981-F1005 WeakPolarHBondContact O-CZ 3.11Å |
| 982 | K | 58 | Low | 54.8 | Low | 119.25 Ų | 119.25 | 74.9 Ų | 74.9 | 52% | 0.518 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -54.4 | -32.6 | 174.5 | -81.5 | 173.1 | -167.3 | 171.2 | 0 | 113.2 | S978 E979 A980 I984 T985 G986 | S978-K982 WeakPolarHBondContact O-CB 3.29Å; S978-K982 VanDerWaalsContact O-CG 3.26Å; S978-K982 WeakPolarHBondContact O-CG 3.41Å; S978-K982 PolarHBondContact O-N 2.96Å; E979-K982 HydrophobicContact CG-CD 4.48Å; E979-K982 CarbonylContact O-C 2.99Å; E979-K982 WeakPolarHBondContact O-CA 3.34Å; E979-K982 WeakPolarHBondContact O-CB 3.43Å; E979-K982 PolarHBondContact O-N 2.94Å; E979-K982 WeakPolarHBondContact OE1-CD 3.12Å; E979-K982 IonicContact OE1-NZ 3.31Å; E979-K982 WeakPolarHBondContact OE2-CD 3.36Å; E979-K982 WeakPolarHBondContact OE2-CE 3.36Å; E979-K982 IonicContact OE2-NZ 2.71Å; E979-K982 PolarHBondContact OE2-NZ 3.14Å; A980-K982 PolarHBondContact O-N 3.01Å; K982-I984 PolarHBondContact O-N 2.99Å; K982-T985 PolarHBondContact O-N 2.94Å; K982-T985 PolarHBondContact O-OG1 3.07Å; K982-G986 VanDerWaalsContact O-CA 3.26Å; K982-G986 WeakPolarHBondContact O-CA 3.43Å; K982-G986 PolarHBondContact O-N 3.14Å |
| 983 | T | 51 | Low | 52.2 | Low | 72.25 Ų | 72.25 | 82.6 Ų | 82.6 | 44% | 0.443 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71.8 | -13 | 175.7 | -49.2 | 0 | 0 | 0 | 0 | 112.8 | D5 E979 A980 N981 K987 K1036 | D5-T983 WeakPolarHBondContact OD2-CB 3.44Å; D5-T983 WeakPolarHBondContact OD2-CG2 3.27Å; E979-T983 WeakPolarHBondContact O-CB 3.35Å; E979-T983 PolarHBondContact O-N 3.21Å; E979-T983 PolarHBondContact O-OG1 3.06Å; A980-T983 CarbonylContact O-C 3.36Å; A980-T983 VanDerWaalsContact O-CA 3.3Å; A980-T983 WeakPolarHBondContact O-CA 3.3Å; A980-T983 VanDerWaalsContact O-CB 3.31Å; A980-T983 WeakPolarHBondContact O-CB 3.43Å; A980-T983 PolarHBondContact O-N 3.21Å; A980-T983 VanDerWaalsContact O-N 3.17Å; N981-T983 VanDerWaalsContact C-N 3.3Å; N981-T983 CarbonylContact O-C 3.47Å; N981-T983 PolarHBondContact O-N 3.04Å; T983-K987 WeakPolarHBondContact O-CB 3.37Å; T983-K987 WeakPolarHBondContact O-CD 3.44Å; T983-K987 WeakPolarHBondContact O-CE 3.48Å; T983-K987 WeakPolarHBondContact O-CG 3.39Å; T983-K1036 HydrophobicContact CG2-CD 4.13Å; T983-K1036 PolarHBondContact O-NZ 2.93Å |
| 984 | I | 45.2 | Very low | 49.8 | Very low | 50.5 Ų | 50.5 | 86 Ų | 86 | 26% | 0.259 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -102 | -31.2 | 174.7 | -51.6 | 159.6 | 0 | 0 | 0 | 111.8 | P6 A980 N981 K982 G986 K987 Q988 L995 I1001 L1004 F1005 E1039 | P6-I984 VanDerWaalsContact CD-CG1 3.43Å; P6-I984 HydrophobicContact CG-CB 4.18Å; P6-I984 HydrophobicContact CG-CD1 3.53Å; P6-I984 HydrophobicContact CG-CG1 3.44Å; P6-I984 VanDerWaalsContact CG-CG1 3.44Å; P6-I984 HydrophobicContact CG-CG2 3.63Å; A980-I984 WeakPolarHBondContact O-CD1 3.27Å; A980-I984 VanDerWaalsContact O-CG1 3.26Å; A980-I984 WeakPolarHBondContact O-CG1 3.33Å; A980-I984 PolarHBondContact O-N 2.67Å; A980-I984 VanDerWaalsContact O-N 3.11Å; N981-I984 CarbonylContact O-C 3.48Å; N981-I984 WeakPolarHBondContact O-CA 3.39Å; N981-I984 WeakPolarHBondContact O-CB 3.44Å; N981-I984 WeakPolarHBondContact O-CD1 3.37Å; N981-I984 WeakPolarHBondContact O-CG1 3.48Å; N981-I984 PolarHBondContact O-N 3.03Å; N981-I984 VanDerWaalsContact O-N 3.07Å; K982-I984 PolarHBondContact O-N 2.99Å; I984-G986 PolarHBondContact O-N 3.34Å; I984-K987 CarbonylContact O-C 3.44Å; I984-Q988 CarbonylContact O-C 3.38Å; I984-Q988 WeakPolarHBondContact O-CA 3.46Å; I984-Q988 PolarHBondContact O-N 2.64Å; I984-L995 HydrophobicContact CD1-CD1 3.62Å; I984-L995 HydrophobicContact CD1-CD2 3.7Å; I984-L995 HydrophobicContact CD1-CG 4.32Å; I984-L995 HydrophobicContact CG1-CD2 3.86Å; I984-I1001 HydrophobicContact CG2-CG2 4.44Å; I984-I1001 WeakPolarHBondContact O-CG2 3.28Å; I984-L1004 HydrophobicContact CD1-CB 4.12Å; I984-L1004 HydrophobicContact CD1-CD2 4.15Å; I984-L1004 HydrophobicContact CG2-CB 3.82Å; I984-L1004 HydrophobicContact CG2-CD1 4.15Å; I984-L1004 HydrophobicContact CG2-CG 4.47Å; I984-F1005 HydrophobicContact CB-CD2 3.97Å; I984-F1005 HydrophobicContact CB-CE2 3.78Å; I984-F1005 HydrophobicContact CD1-CE2 4.17Å; I984-F1005 HydrophobicContact CG1-CE2 4.35Å; I984-E1039 WeakPolarHBondContact CD1-O 3.47Å |
| 985 | T | 43.3 | Very low | 47.5 | Very low | 67 Ų | 67 | 89.6 Ų | 89.6 | 41% | 0.411 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -97.8 | -19.2 | -172.9 | 22.9 | 0 | 0 | 0 | 0 | 112.8 | N981 K982 K987 Q988 D989 N990 F1005 | N981-T985 WeakPolarHBondContact CB-OG1 3.47Å; N981-T985 WeakPolarHBondContact O-CA 3.39Å; N981-T985 VanDerWaalsContact O-CB 3.22Å; N981-T985 WeakPolarHBondContact O-CB 3.41Å; N981-T985 PolarHBondContact O-N 2.94Å; N981-T985 PolarHBondContact O-OG1 2.87Å; K982-T985 PolarHBondContact O-N 2.94Å; K982-T985 PolarHBondContact O-OG1 3.07Å; T985-K987 PolarHBondContact O-N 3.13Å; T985-Q988 CarbonylContact O-C 3.57Å; T985-Q988 WeakPolarHBondContact O-CA 3.1Å; T985-Q988 VanDerWaalsContact O-CB 3.25Å; T985-Q988 WeakPolarHBondContact O-CB 3.42Å; T985-Q988 VanDerWaalsContact O-CG 3.3Å; T985-Q988 WeakPolarHBondContact O-CG 3.35Å; T985-Q988 PolarHBondContact O-N 3.17Å; T985-D989 VanDerWaalsContact CA-CA 3.46Å; T985-D989 VanDerWaalsContact CA-N 3.29Å; T985-D989 HydrophobicContact CG2-CB 4.07Å; T985-D989 VanDerWaalsContact CG2-OD1 3.29Å; T985-D989 WeakPolarHBondContact CG2-OD1 3.43Å; T985-D989 PolarHBondContact O-N 3.37Å; T985-N990 WeakPolarHBondContact OG1-CA 3.4Å; T985-N990 PolarHBondContact OG1-N 2.99Å; T985-N990 PolarHBondContact OG1-OD1 3.1Å; T985-F1005 HydrophobicContact CG2-CB 4.36Å; T985-F1005 HydrophobicContact CG2-CD1 4.02Å; T985-F1005 HydrophobicContact CG2-CD2 3.61Å; T985-F1005 HydrophobicContact CG2-CE1 4.12Å; T985-F1005 HydrophobicContact CG2-CE2 3.67Å; T985-F1005 HydrophobicContact CG2-CG 3.75Å; T985-F1005 HydrophobicContact CG2-CZ 3.93Å; T985-F1005 WeakPolarHBondContact OG1-CE2 3.41Å; T985-F1005 WeakPolarHBondContact OG1-CZ 3.31Å |
| 986 | G | 38.7 | Very low | 45.6 | Very low | 66.75 Ų | 66.75 | 94.2 Ų | 94.2 | 69% | 0.688 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 24.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | K982 I984 Q988 | K982-G986 VanDerWaalsContact O-CA 3.26Å; K982-G986 WeakPolarHBondContact O-CA 3.43Å; K982-G986 PolarHBondContact O-N 3.14Å; I984-G986 PolarHBondContact O-N 3.34Å; G986-Q988 VanDerWaalsContact C-N 3.26Å |
| 987 | K | 35.9 | Very low | 43.7 | Very low | 149 Ų | 149 | 95.9 Ų | 95.9 | 65% | 0.648 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -104.3 | 36.9 | 159.3 | -69.9 | -176.3 | -173.7 | 170.3 | 0 | 112.2 | D7 T983 I984 T985 I1001 D1002 | D7-K987 IonicContact OD2-NZ 3.45Å; D7-K987 PolarHBondContact OD2-NZ 3.32Å; T983-K987 WeakPolarHBondContact O-CB 3.37Å; T983-K987 WeakPolarHBondContact O-CD 3.44Å; T983-K987 WeakPolarHBondContact O-CE 3.48Å; T983-K987 WeakPolarHBondContact O-CG 3.39Å; I984-K987 CarbonylContact O-C 3.44Å; T985-K987 PolarHBondContact O-N 3.13Å; K987-I1001 HydrophobicContact CB-CD1 3.81Å; K987-I1001 HydrophobicContact CB-CG1 4.38Å; K987-I1001 HydrophobicContact CB-CG2 4.13Å; K987-I1001 HydrophobicContact CD-CD1 3.92Å; K987-I1001 HydrophobicContact CD-CG1 4.27Å; K987-D1002 IonicContact NZ-OD2 3.62Å; K987-D1002 PolarHBondContact NZ-OD2 3.27Å |
| 988 | Q | 33.2 | Very low | 41.8 | Very low | 133.75 Ų | 133.75 | 97.1 Ų | 97.1 | 63% | 0.625 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -138.1 | 77 | 176.3 | -66.3 | -176.3 | -73.3 | 0 | 0 | 113.7 | I984 T985 G986 N990 S991 I1001 D1002 | I984-Q988 CarbonylContact O-C 3.38Å; I984-Q988 WeakPolarHBondContact O-CA 3.46Å; I984-Q988 PolarHBondContact O-N 2.64Å; T985-Q988 CarbonylContact O-C 3.57Å; T985-Q988 WeakPolarHBondContact O-CA 3.1Å; T985-Q988 VanDerWaalsContact O-CB 3.25Å; T985-Q988 WeakPolarHBondContact O-CB 3.42Å; T985-Q988 VanDerWaalsContact O-CG 3.3Å; T985-Q988 WeakPolarHBondContact O-CG 3.35Å; T985-Q988 PolarHBondContact O-N 3.17Å; G986-Q988 VanDerWaalsContact C-N 3.26Å; Q988-N990 PolarHBondContact O-N 3.21Å; Q988-S991 PolarHBondContact O-N 3.13Å; Q988-I1001 HydrophobicContact CG-CB 4.33Å; Q988-I1001 HydrophobicContact CG-CG2 3.85Å; Q988-D1002 VanDerWaalsContact NE2-CG 3.28Å; Q988-D1002 PolarHBondContact NE2-OD1 3.31Å; Q988-D1002 PolarHBondContact NE2-OD2 3Å |
| 989 | D | 29.5 | Very low | 40.4 | Very low | 139.5 Ų | 139.5 | 97.6 Ų | 97.6 | 75% | 0.746 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -75.5 | 77.3 | 178.4 | -72.6 | -31.2 | 0 | 0 | 0 | 117 | T985 | T985-D989 VanDerWaalsContact CA-CA 3.46Å; T985-D989 VanDerWaalsContact CA-N 3.29Å; T985-D989 HydrophobicContact CG2-CB 4.07Å; T985-D989 VanDerWaalsContact CG2-OD1 3.29Å; T985-D989 WeakPolarHBondContact CG2-OD1 3.43Å; T985-D989 PolarHBondContact O-N 3.37Å |
| 990 | N | 31.8 | Very low | 39.1 | Very low | 139.75 Ų | 139.75 | 98.4 Ų | 98.4 | 75% | 0.747 | 56% | 0.564 | S | S | * | * | trans | 143.7 | 119.2 | 153.9 | -81.5 | -63.8 | 0 | 0 | 0 | 115.6 | N981 T985 Q988 | N981-N990 HydrophobicContact CB-CB 4.19Å; N981-N990 WeakPolarHBondContact CB-OD1 3.39Å; N981-N990 PolarHBondContact ND2-OD1 3.11Å; T985-N990 WeakPolarHBondContact OG1-CA 3.4Å; T985-N990 PolarHBondContact OG1-N 2.99Å; T985-N990 PolarHBondContact OG1-OD1 3.1Å; Q988-N990 PolarHBondContact O-N 3.21Å | ||
| 991 | S | 30.1 | Very low | 38.1 | Very low | 105.75 Ų | 105.75 | 98.4 Ų | 98.4 | 74% | 0.74 | 56% | 0.558 | S | S | * | * | trans | 128.2 | 136.3 | 166.5 | 34.1 | 0 | 0 | 0 | 0 | 116.5 | N981 Q988 | N981-S991 VanDerWaalsContact OD1-CA 3.23Å; N981-S991 WeakPolarHBondContact OD1-CA 3.36Å; N981-S991 WeakPolarHBondContact OD1-CB 3.43Å; N981-S991 PolarHBondContact OD1-N 3.43Å; Q988-S991 PolarHBondContact O-N 3.13Å | ||
| 992 | G | 27.8 | Very low | 37.4 | Very low | 62.5 Ų | 62.5 | 100.4 Ų | 100.4 | 64% | 0.644 | 57% | 0.569 | S | S | * | * | trans | 113.5 | 119.8 | 156.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | E994 | G992-E994 PolarHBondContact O-N 2.83Å; G992-E994 VanDerWaalsContact O-N 3.11Å | ||
| 993 | D | 29.2 | Very low | 36.8 | Very low | 162.75 Ų | 162.75 | 100 Ų | 100 | 87% | 0.87 | 57% | 0.569 | S | S | * | * | S | Bend | trans | 56.4 | 90.2 | 142.8 | -69.6 | -28.4 | 0 | 0 | 0 | 118.6 | ||
| 994 | E | 30.1 | Very low | 36.2 | Very low | 168.75 Ų | 168.75 | 99.7 Ų | 99.7 | 79% | 0.789 | 56% | 0.564 | S | S | * | * | trans | 138.9 | 68.7 | 164.8 | -74.3 | -166.4 | 145.8 | 0 | 0 | 116.9 | G992 I996 S997 | G992-E994 PolarHBondContact O-N 2.83Å; G992-E994 VanDerWaalsContact O-N 3.11Å; E994-I996 PolarHBondContact O-N 2.93Å; E994-S997 PolarHBondContact O-OG 2.94Å | ||
| 995 | L | 30.3 | Very low | 36.1 | Very low | 126.75 Ų | 126.75 | 101.8 Ų | 101.8 | 66% | 0.664 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -2.8 | 100.5 | 165.6 | -74.9 | 153.9 | 0 | 0 | 0 | 114.8 | I984 S997 A999 | I984-L995 HydrophobicContact CD1-CD1 3.62Å; I984-L995 HydrophobicContact CD1-CD2 3.7Å; I984-L995 HydrophobicContact CD1-CG 4.32Å; I984-L995 HydrophobicContact CG1-CD2 3.86Å; L995-S997 PolarHBondContact O-N 2.79Å; L995-A999 WeakPolarHBondContact O-CB 3.37Å |
| 996 | I | 36 | Very low | 36.1 | Very low | 121.25 Ų | 121.25 | 105 Ų | 105 | 62% | 0.622 | 58% | 0.582 | S | S | * | * | trans | -121.2 | 91.1 | -176.1 | -67.6 | 175.6 | 0 | 0 | 0 | 111.1 | K948 E994 D998 L1000 I1001 L1037 | K948-I996 WeakPolarHBondContact CE-O 3.2Å; K948-I996 PolarHBondContact NZ-O 2.99Å; E994-I996 PolarHBondContact O-N 2.93Å; I996-D998 PolarHBondContact O-N 2.84Å; I996-L1000 HydrophobicContact CG2-CB 4.22Å; I996-L1000 HydrophobicContact CG2-CD2 4.05Å; I996-I1001 HydrophobicContact CG2-CG1 4.24Å; I996-L1037 HydrophobicContact CD1-CD1 3.84Å | ||
| 997 | S | 34.5 | Very low | 36.2 | Very low | 62 Ų | 62 | 107.1 Ų | 107.1 | 43% | 0.434 | 58% | 0.577 | S | S | . | * | trans | -3.6 | -127.6 | 154.7 | 68.5 | 0 | 0 | 0 | 0 | 115 | E994 L995 A999 L1000 I1001 N1044 | E994-S997 PolarHBondContact O-OG 2.94Å; L995-S997 PolarHBondContact O-N 2.79Å; S997-A999 PolarHBondContact O-N 2.02Å; S997-L1000 PolarHBondContact O-N 3.11Å; S997-I1001 WeakPolarHBondContact O-CG1 3.47Å; S997-I1001 PolarHBondContact O-N 2.78Å; S997-I1001 VanDerWaalsContact O-N 3.16Å; S997-N1044 VanDerWaalsContact CB-ND2 3.27Å; S997-N1044 WeakPolarHBondContact CB-ND2 3.36Å | ||
| 998 | D | 35.3 | Very low | 36.4 | Very low | 107 Ų | 107 | 101.6 Ų | 101.6 | 57% | 0.572 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.4 | -17 | -177.9 | -61 | -14.8 | 0 | 0 | 0 | 115.3 | I996 L1000 I1001 D1002 N1046 | I996-D998 PolarHBondContact O-N 2.84Å; D998-L1000 VanDerWaalsContact C-N 3.31Å; D998-L1000 PolarHBondContact O-N 3.08Å; D998-L1000 VanDerWaalsContact O-N 3.14Å; D998-I1001 WeakPolarHBondContact O-CB 3.13Å; D998-I1001 PolarHBondContact O-N 3.23Å; D998-D1002 WeakPolarHBondContact O-CB 3.3Å; D998-D1002 PolarHBondContact O-N 3.26Å; D998-N1046 PolarHBondContact OD1-ND2 3.49Å; D998-N1046 PolarHBondContact OD2-ND2 3.48Å |
| 999 | A | 41.2 | Very low | 36.7 | Very low | 63.25 Ų | 63.25 | 102.5 Ų | 102.5 | 52% | 0.523 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -78.4 | -24.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L995 S997 I1001 D1002 Q1003 | L995-A999 WeakPolarHBondContact O-CB 3.37Å; S997-A999 PolarHBondContact O-N 2.02Å; A999-I1001 VanDerWaalsContact C-N 3.3Å; A999-I1001 PolarHBondContact O-N 3.28Å; A999-D1002 CarbonylContact O-C 3.51Å; A999-D1002 PolarHBondContact O-N 3.27Å; A999-Q1003 WeakPolarHBondContact O-CB 3.24Å; A999-Q1003 WeakPolarHBondContact O-CG 3.11Å; A999-Q1003 PolarHBondContact O-N 3.06Å; A999-Q1003 PolarHBondContact O-OE1 2.72Å |
| 1000 | L | 38.2 | Very low | 37 | Very low | 68.5 Ų | 68.5 | 101.5 Ų | 101.5 | 36% | 0.359 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -87.3 | -29.7 | -177.3 | -154.2 | 92.5 | 0 | 0 | 0 | 113.4 | P6 D7 N10 I14 K37 S946 K948 I996 S997 D998 Q1003 L1004 | P6-L1000 HydrophobicContact CB-CD2 4.42Å; P6-L1000 WeakPolarHBondContact O-CD2 3.31Å; D7-L1000 WeakPolarHBondContact OD1-CD2 3.25Å; N10-L1000 WeakPolarHBondContact OD1-CD1 3.27Å; N10-L1000 WeakPolarHBondContact OD1-CD2 3.13Å; I14-L1000 HydrophobicContact CD1-CD1 4.01Å; K37-L1000 HydrophobicContact CD-CD1 4.36Å; K37-L1000 HydrophobicContact CD-CD2 3.57Å; K37-L1000 HydrophobicContact CD-CG 3.82Å; K37-L1000 PolarHBondContact NZ-O 3.43Å; S946-L1000 WeakPolarHBondContact O-CD1 3.28Å; K948-L1000 HydrophobicContact CD-CD1 4.12Å; K948-L1000 HydrophobicContact CD-CD2 4.5Å; K948-L1000 HydrophobicContact CG-CD1 4.27Å; I996-L1000 HydrophobicContact CG2-CB 4.22Å; I996-L1000 HydrophobicContact CG2-CD2 4.05Å; S997-L1000 PolarHBondContact O-N 3.11Å; D998-L1000 VanDerWaalsContact C-N 3.31Å; D998-L1000 PolarHBondContact O-N 3.08Å; D998-L1000 VanDerWaalsContact O-N 3.14Å; L1000-Q1003 PolarHBondContact O-N 2.92Å; L1000-L1004 HydrophobicContact CD2-CD1 4.33Å; L1000-L1004 HydrophobicContact CG-CD1 4.13Å; L1000-L1004 WeakPolarHBondContact O-CB 3.06Å; L1000-L1004 WeakPolarHBondContact O-CD1 3.42Å; L1000-L1004 WeakPolarHBondContact O-CG 3.46Å; L1000-L1004 PolarHBondContact O-N 3.11Å |
| 1001 | I | 42.5 | Very low | 37.4 | Very low | 33 Ų | 33 | 99 Ų | 99 | 17% | 0.169 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -74.7 | -38.5 | 177.3 | -62.4 | 170.9 | 0 | 0 | 0 | 110.5 | I984 K987 Q988 I996 S997 D998 A999 Q1003 L1004 F1005 N1046 | I984-I1001 HydrophobicContact CG2-CG2 4.44Å; I984-I1001 WeakPolarHBondContact O-CG2 3.28Å; K987-I1001 HydrophobicContact CB-CD1 3.81Å; K987-I1001 HydrophobicContact CB-CG1 4.38Å; K987-I1001 HydrophobicContact CB-CG2 4.13Å; K987-I1001 HydrophobicContact CD-CD1 3.92Å; K987-I1001 HydrophobicContact CD-CG1 4.27Å; Q988-I1001 HydrophobicContact CG-CB 4.33Å; Q988-I1001 HydrophobicContact CG-CG2 3.85Å; I996-I1001 HydrophobicContact CG2-CG1 4.24Å; S997-I1001 WeakPolarHBondContact O-CG1 3.47Å; S997-I1001 PolarHBondContact O-N 2.78Å; S997-I1001 VanDerWaalsContact O-N 3.16Å; D998-I1001 WeakPolarHBondContact O-CB 3.13Å; D998-I1001 PolarHBondContact O-N 3.23Å; A999-I1001 VanDerWaalsContact C-N 3.3Å; A999-I1001 PolarHBondContact O-N 3.28Å; I1001-Q1003 VanDerWaalsContact C-N 3.31Å; I1001-Q1003 PolarHBondContact O-N 2.95Å; I1001-Q1003 VanDerWaalsContact O-N 3.11Å; I1001-L1004 HydrophobicContact CG1-CD1 4.39Å; I1001-L1004 CarbonylContact O-C 3.46Å; I1001-L1004 VanDerWaalsContact O-C 3.32Å; I1001-L1004 WeakPolarHBondContact O-CA 3.26Å; I1001-L1004 WeakPolarHBondContact O-CB 3.23Å; I1001-L1004 PolarHBondContact O-N 2.97Å; I1001-L1004 VanDerWaalsContact O-N 3.12Å; I1001-F1005 HydrophobicContact CG2-CD2 3.91Å; I1001-F1005 HydrophobicContact CG2-CE2 3.9Å; I1001-F1005 HydrophobicContact CG2-CZ 4.27Å; I1001-F1005 WeakPolarHBondContact O-CB 3.41Å; I1001-F1005 WeakPolarHBondContact O-CD2 3.37Å; I1001-F1005 WeakPolarHBondContact O-CG 3.28Å; I1001-F1005 PolarHBondContact O-N 3.2Å; I1001-N1046 HydrophobicContact CD1-CB 3.51Å; I1001-N1046 VanDerWaalsContact CD1-CB 3.43Å; I1001-N1046 HydrophobicContact CG2-CB 4.31Å |
| 1002 | D | 43.7 | Very low | 37.8 | Very low | 88.6 Ų | 88.6 | 102.8 Ų | 102.8 | 47% | 0.474 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.9 | -32.1 | 175.9 | -90.3 | -22.6 | 0 | 0 | 0 | 112.7 | K987 Q988 D998 A999 L1004 F1005 Q1006 | K987-D1002 IonicContact NZ-OD2 3.62Å; K987-D1002 PolarHBondContact NZ-OD2 3.27Å; Q988-D1002 VanDerWaalsContact NE2-CG 3.28Å; Q988-D1002 PolarHBondContact NE2-OD1 3.31Å; Q988-D1002 PolarHBondContact NE2-OD2 3Å; D998-D1002 WeakPolarHBondContact O-CB 3.3Å; D998-D1002 PolarHBondContact O-N 3.26Å; A999-D1002 CarbonylContact O-C 3.51Å; A999-D1002 PolarHBondContact O-N 3.27Å; D1002-L1004 VanDerWaalsContact C-N 3.27Å; D1002-L1004 PolarHBondContact O-N 3.02Å; D1002-L1004 VanDerWaalsContact O-N 3.08Å; D1002-F1005 CarbonylContact O-C 3.2Å; D1002-F1005 PolarHBondContact O-N 3.05Å; D1002-Q1006 WeakPolarHBondContact O-CA 3.27Å; D1002-Q1006 WeakPolarHBondContact O-CB 3.34Å; D1002-Q1006 WeakPolarHBondContact O-CG 3.36Å; D1002-Q1006 PolarHBondContact O-N 3.22Å; D1002-Q1006 VanDerWaalsContact O-N 3.17Å; D1002-Q1006 PolarHBondContact OD2-NE2 2.7Å |
| 1003 | Q | 44.7 | Very low | 38.3 | Very low | 111 Ų | 111 | 103.2 Ų | 103.2 | 52% | 0.519 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.7 | -31.9 | 176.4 | -96 | 172 | -38.1 | 0 | 0 | 112.2 | S946 A999 L1000 I1001 F1005 Q1006 D1007 | S946-Q1003 VanDerWaalsContact CA-CD 3.49Å; A999-Q1003 WeakPolarHBondContact O-CB 3.24Å; A999-Q1003 WeakPolarHBondContact O-CG 3.11Å; A999-Q1003 PolarHBondContact O-N 3.06Å; A999-Q1003 PolarHBondContact O-OE1 2.72Å; L1000-Q1003 PolarHBondContact O-N 2.92Å; I1001-Q1003 VanDerWaalsContact C-N 3.31Å; I1001-Q1003 PolarHBondContact O-N 2.95Å; I1001-Q1003 VanDerWaalsContact O-N 3.11Å; Q1003-F1005 VanDerWaalsContact C-N 3.31Å; Q1003-F1005 PolarHBondContact O-N 3.19Å; Q1003-Q1006 PolarHBondContact O-N 3.17Å; Q1003-Q1006 VanDerWaalsContact O-N 3.1Å; Q1003-D1007 VanDerWaalsContact O-CB 3.29Å; Q1003-D1007 WeakPolarHBondContact O-CB 3.44Å; Q1003-D1007 PolarHBondContact O-N 3.16Å |
| 1004 | L | 38.3 | Very low | 38.6 | Very low | 66.6 Ų | 66.6 | 97.7 Ų | 97.7 | 35% | 0.349 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -79.8 | -15.3 | -178.1 | -72.2 | 159.1 | 0 | 0 | 0 | 114.3 | P6 A33 I984 L1000 I1001 D1002 G1008 L1030 F1050 | P6-L1004 HydrophobicContact CB-CD1 3.19Å; P6-L1004 HydrophobicContact CB-CD2 3.47Å; P6-L1004 VanDerWaalsContact CB-CD2 3.47Å; P6-L1004 HydrophobicContact CB-CG 3.86Å; P6-L1004 HydrophobicContact CG-CD1 3.51Å; P6-L1004 HydrophobicContact CG-CD2 3.69Å; P6-L1004 HydrophobicContact CG-CG 4.02Å; A33-L1004 HydrophobicContact CB-CD2 3.32Å; I984-L1004 HydrophobicContact CD1-CB 4.12Å; I984-L1004 HydrophobicContact CD1-CD2 4.15Å; I984-L1004 HydrophobicContact CG2-CB 3.82Å; I984-L1004 HydrophobicContact CG2-CD1 4.15Å; I984-L1004 HydrophobicContact CG2-CG 4.47Å; L1000-L1004 HydrophobicContact CD2-CD1 4.33Å; L1000-L1004 HydrophobicContact CG-CD1 4.13Å; L1000-L1004 WeakPolarHBondContact O-CB 3.06Å; L1000-L1004 WeakPolarHBondContact O-CD1 3.42Å; L1000-L1004 WeakPolarHBondContact O-CG 3.46Å; L1000-L1004 PolarHBondContact O-N 3.11Å; I1001-L1004 HydrophobicContact CG1-CD1 4.39Å; I1001-L1004 CarbonylContact O-C 3.46Å; I1001-L1004 VanDerWaalsContact O-C 3.32Å; I1001-L1004 WeakPolarHBondContact O-CA 3.26Å; I1001-L1004 WeakPolarHBondContact O-CB 3.23Å; I1001-L1004 PolarHBondContact O-N 2.97Å; I1001-L1004 VanDerWaalsContact O-N 3.12Å; D1002-L1004 VanDerWaalsContact C-N 3.27Å; D1002-L1004 PolarHBondContact O-N 3.02Å; D1002-L1004 VanDerWaalsContact O-N 3.08Å; L1004-G1008 WeakPolarHBondContact O-CA 3.47Å; L1004-G1008 PolarHBondContact O-N 2.9Å; L1004-L1030 HydrophobicContact CD2-CD2 3.42Å; L1004-F1050 HydrophobicContact CB-CD2 4.33Å; L1004-F1050 HydrophobicContact CB-CE2 3.94Å; L1004-F1050 HydrophobicContact CB-CZ 4.4Å; L1004-F1050 HydrophobicContact CD1-CD1 4.31Å; L1004-F1050 HydrophobicContact CD1-CD2 4.14Å; L1004-F1050 HydrophobicContact CD1-CE1 3.97Å; L1004-F1050 HydrophobicContact CD1-CE2 3.81Å; L1004-F1050 HydrophobicContact CD1-CG 4.39Å; L1004-F1050 HydrophobicContact CD1-CZ 3.72Å; L1004-F1050 HydrophobicContact CD2-CE2 3.95Å; L1004-F1050 HydrophobicContact CD2-CZ 3.99Å; L1004-F1050 HydrophobicContact CG-CE2 4.07Å; L1004-F1050 HydrophobicContact CG-CZ 4.22Å |
| 1005 | F | 43.6 | Very low | 38.9 | Very low | 94 Ų | 94 | 97 Ų | 97 | 41% | 0.412 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -103.7 | -13.8 | 176.1 | -92.4 | -102.7 | 0 | 0 | 0 | 113.9 | N981 I984 T985 I1001 D1002 Q1003 G1008 Q1009 F1050 K1053 | N981-F1005 VanDerWaalsContact C-CZ 3.46Å; N981-F1005 HydrophobicContact CB-CE1 4.39Å; N981-F1005 HydrophobicContact CB-CZ 3.83Å; N981-F1005 WeakPolarHBondContact O-CE2 3.46Å; N981-F1005 VanDerWaalsContact O-CZ 3.25Å; N981-F1005 WeakPolarHBondContact O-CZ 3.11Å; I984-F1005 HydrophobicContact CB-CD2 3.97Å; I984-F1005 HydrophobicContact CB-CE2 3.78Å; I984-F1005 HydrophobicContact CD1-CE2 4.17Å; I984-F1005 HydrophobicContact CG1-CE2 4.35Å; T985-F1005 HydrophobicContact CG2-CB 4.36Å; T985-F1005 HydrophobicContact CG2-CD1 4.02Å; T985-F1005 HydrophobicContact CG2-CD2 3.61Å; T985-F1005 HydrophobicContact CG2-CE1 4.12Å; T985-F1005 HydrophobicContact CG2-CE2 3.67Å; T985-F1005 HydrophobicContact CG2-CG 3.75Å; T985-F1005 HydrophobicContact CG2-CZ 3.93Å; T985-F1005 WeakPolarHBondContact OG1-CE2 3.41Å; T985-F1005 WeakPolarHBondContact OG1-CZ 3.31Å; I1001-F1005 HydrophobicContact CG2-CD2 3.91Å; I1001-F1005 HydrophobicContact CG2-CE2 3.9Å; I1001-F1005 HydrophobicContact CG2-CZ 4.27Å; I1001-F1005 WeakPolarHBondContact O-CB 3.41Å; I1001-F1005 WeakPolarHBondContact O-CD2 3.37Å; I1001-F1005 WeakPolarHBondContact O-CG 3.28Å; I1001-F1005 PolarHBondContact O-N 3.2Å; D1002-F1005 CarbonylContact O-C 3.2Å; D1002-F1005 PolarHBondContact O-N 3.05Å; Q1003-F1005 VanDerWaalsContact C-N 3.31Å; Q1003-F1005 PolarHBondContact O-N 3.19Å; F1005-G1008 VanDerWaalsContact C-N 3.3Å; F1005-G1008 CarbonylContact O-C 3.39Å; F1005-G1008 VanDerWaalsContact O-C 3.22Å; F1005-G1008 WeakPolarHBondContact O-CA 3.33Å; F1005-G1008 PolarHBondContact O-N 3.03Å; F1005-Q1009 PolarHBondContact O-N 3.27Å; F1005-F1050 HydrophobicContact CE2-CD2 4.43Å; F1005-K1053 HydrophobicContact CE2-CD 4.14Å; F1005-K1053 HydrophobicContact CZ-CD 4.03Å |
| 1006 | Q | 43.3 | Very low | 39.4 | Very low | 135.4 Ų | 135.4 | 99.4 Ų | 99.4 | 63% | 0.633 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -94.3 | -37.2 | 174.9 | -78.9 | 169.8 | 42.9 | 0 | 0 | 111 | D1002 Q1003 G1008 Q1009 | D1002-Q1006 WeakPolarHBondContact O-CA 3.27Å; D1002-Q1006 WeakPolarHBondContact O-CB 3.34Å; D1002-Q1006 WeakPolarHBondContact O-CG 3.36Å; D1002-Q1006 PolarHBondContact O-N 3.22Å; D1002-Q1006 VanDerWaalsContact O-N 3.17Å; D1002-Q1006 PolarHBondContact OD2-NE2 2.7Å; Q1003-Q1006 PolarHBondContact O-N 3.17Å; Q1003-Q1006 VanDerWaalsContact O-N 3.1Å; Q1006-G1008 VanDerWaalsContact C-N 3.28Å; Q1006-G1008 PolarHBondContact O-N 3.16Å; Q1006-Q1009 WeakPolarHBondContact O-CA 3.15Å; Q1006-Q1009 WeakPolarHBondContact O-CB 3.43Å; Q1006-Q1009 WeakPolarHBondContact O-CG 3.47Å; Q1006-Q1009 PolarHBondContact O-N 2.99Å |
| 1007 | D | 40.5 | Very low | 39.3 | Very low | 110.4 Ų | 110.4 | 99.7 Ų | 99.7 | 59% | 0.59 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 30.4 | 163.9 | -96.6 | -27.3 | 0 | 0 | 0 | 112.6 | Q1003 Q1009 L1010 V1011 | Q1003-D1007 VanDerWaalsContact O-CB 3.29Å; Q1003-D1007 WeakPolarHBondContact O-CB 3.44Å; Q1003-D1007 PolarHBondContact O-N 3.16Å; D1007-Q1009 PolarHBondContact O-N 3.22Å; D1007-L1010 WeakPolarHBondContact O-CA 3.19Å; D1007-L1010 WeakPolarHBondContact O-CB 3.35Å; D1007-L1010 PolarHBondContact O-N 3.28Å; D1007-V1011 PolarHBondContact O-N 2.86Å |
| 1008 | G | 40.1 | Very low | 39.4 | Very low | 33.6 Ų | 33.6 | 100.3 Ų | 100.3 | 35% | 0.346 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -75.7 | 14.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L1004 F1005 Q1006 L1010 V1011 R1012 | L1004-G1008 WeakPolarHBondContact O-CA 3.47Å; L1004-G1008 PolarHBondContact O-N 2.9Å; F1005-G1008 VanDerWaalsContact C-N 3.3Å; F1005-G1008 CarbonylContact O-C 3.39Å; F1005-G1008 VanDerWaalsContact O-C 3.22Å; F1005-G1008 WeakPolarHBondContact O-CA 3.33Å; F1005-G1008 PolarHBondContact O-N 3.03Å; Q1006-G1008 VanDerWaalsContact C-N 3.28Å; Q1006-G1008 PolarHBondContact O-N 3.16Å; G1008-L1010 VanDerWaalsContact C-N 3.33Å; G1008-V1011 WeakPolarHBondContact O-CB 3.4Å; G1008-V1011 PolarHBondContact O-N 2.92Å; G1008-R1012 WeakPolarHBondContact O-CB 3.35Å; G1008-R1012 VanDerWaalsContact O-CD 3.32Å; G1008-R1012 WeakPolarHBondContact O-CD 3.44Å; G1008-R1012 WeakPolarHBondContact O-CG 3.27Å; G1008-R1012 PolarHBondContact O-N 2.92Å |
| 1009 | Q | 39.9 | Very low | 39.4 | Very low | 152.2 Ų | 152.2 | 97.9 Ų | 97.9 | 71% | 0.711 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -88.7 | -35 | 168.2 | -73 | -165.6 | 36.6 | 0 | 0 | 112.7 | F1005 Q1006 D1007 V1011 R1012 S1013 | F1005-Q1009 PolarHBondContact O-N 3.27Å; Q1006-Q1009 WeakPolarHBondContact O-CA 3.15Å; Q1006-Q1009 WeakPolarHBondContact O-CB 3.43Å; Q1006-Q1009 WeakPolarHBondContact O-CG 3.47Å; Q1006-Q1009 PolarHBondContact O-N 2.99Å; D1007-Q1009 PolarHBondContact O-N 3.22Å; Q1009-V1011 VanDerWaalsContact C-N 3.31Å; Q1009-V1011 PolarHBondContact O-N 3.42Å; Q1009-V1011 VanDerWaalsContact O-N 3.17Å; Q1009-R1012 CarbonylContact O-C 3.19Å; Q1009-R1012 PolarHBondContact O-N 3.04Å; Q1009-R1012 VanDerWaalsContact O-N 3.09Å; Q1009-S1013 VanDerWaalsContact O-CB 3.29Å; Q1009-S1013 WeakPolarHBondContact O-CB 3.29Å; Q1009-S1013 PolarHBondContact O-N 2.97Å; Q1009-S1013 PolarHBondContact O-OG 3.16Å |
| 1010 | L | 36.7 | Very low | 39.5 | Very low | 118.6 Ų | 118.6 | 97.5 Ų | 97.5 | 62% | 0.621 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -54.2 | -24.5 | 178.7 | -73.2 | 166.8 | 0 | 0 | 0 | 112.4 | D1007 G1008 S1013 A1014 | D1007-L1010 WeakPolarHBondContact O-CA 3.19Å; D1007-L1010 WeakPolarHBondContact O-CB 3.35Å; D1007-L1010 PolarHBondContact O-N 3.28Å; G1008-L1010 VanDerWaalsContact C-N 3.33Å; L1010-S1013 WeakPolarHBondContact CA-OG 3.29Å; L1010-S1013 CarbonylContact O-C 3.6Å; L1010-S1013 WeakPolarHBondContact O-CB 3.44Å; L1010-S1013 PolarHBondContact O-N 3.17Å; L1010-S1013 VanDerWaalsContact O-N 3.14Å; L1010-S1013 PolarHBondContact O-OG 2.96Å; L1010-A1014 WeakPolarHBondContact O-CB 3.34Å; L1010-A1014 PolarHBondContact O-N 3.05Å |
| 1011 | V | 40.1 | Very low | 39.6 | Very low | 86.2 Ų | 86.2 | 97.3 Ų | 97.3 | 52% | 0.522 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.3 | -35.5 | 165 | -177.8 | 0 | 0 | 0 | 0 | 111.7 | D1007 G1008 Q1009 S1013 A1014 E1015 V1057 | D1007-V1011 PolarHBondContact O-N 2.86Å; G1008-V1011 WeakPolarHBondContact O-CB 3.4Å; G1008-V1011 PolarHBondContact O-N 2.92Å; Q1009-V1011 VanDerWaalsContact C-N 3.31Å; Q1009-V1011 PolarHBondContact O-N 3.42Å; Q1009-V1011 VanDerWaalsContact O-N 3.17Å; V1011-S1013 PolarHBondContact O-N 3.12Å; V1011-A1014 WeakPolarHBondContact O-CB 3.26Å; V1011-A1014 PolarHBondContact O-N 2.96Å; V1011-A1014 VanDerWaalsContact O-N 3.12Å; V1011-E1015 WeakPolarHBondContact O-CG 3.42Å; V1011-E1015 PolarHBondContact O-N 2.94Å; V1011-E1015 VanDerWaalsContact O-N 3.11Å; V1011-V1057 HydrophobicContact CG1-CG2 4.22Å |
| 1012 | R | 37.9 | Very low | 39.5 | Very low | 186 Ų | 186 | 98.3 Ų | 98.3 | 70% | 0.702 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.9 | -4.4 | 176.1 | -67.3 | 176.7 | -174.5 | 177.8 | 3.7 | 115.4 | G1008 Q1009 E1015 K1016 | G1008-R1012 WeakPolarHBondContact O-CB 3.35Å; G1008-R1012 VanDerWaalsContact O-CD 3.32Å; G1008-R1012 WeakPolarHBondContact O-CD 3.44Å; G1008-R1012 WeakPolarHBondContact O-CG 3.27Å; G1008-R1012 PolarHBondContact O-N 2.92Å; Q1009-R1012 CarbonylContact O-C 3.19Å; Q1009-R1012 PolarHBondContact O-N 3.04Å; Q1009-R1012 VanDerWaalsContact O-N 3.09Å; R1012-E1015 WeakPolarHBondContact CA-OE2 3.17Å; R1012-K1016 PolarHBondContact O-N 2.87Å |
| 1013 | S | 37.3 | Very low | 39.5 | Very low | 71.4 Ų | 71.4 | 96.3 Ų | 96.3 | 50% | 0.499 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -97.5 | -42 | 160.2 | 44.9 | 0 | 0 | 0 | 0 | 112.3 | Q1009 L1010 V1011 E1015 K1016 N1017 | Q1009-S1013 VanDerWaalsContact O-CB 3.29Å; Q1009-S1013 WeakPolarHBondContact O-CB 3.29Å; Q1009-S1013 PolarHBondContact O-N 2.97Å; Q1009-S1013 PolarHBondContact O-OG 3.16Å; L1010-S1013 WeakPolarHBondContact CA-OG 3.29Å; L1010-S1013 CarbonylContact O-C 3.6Å; L1010-S1013 WeakPolarHBondContact O-CB 3.44Å; L1010-S1013 PolarHBondContact O-N 3.17Å; L1010-S1013 VanDerWaalsContact O-N 3.14Å; L1010-S1013 PolarHBondContact O-OG 2.96Å; V1011-S1013 PolarHBondContact O-N 3.12Å; S1013-E1015 VanDerWaalsContact C-N 3.31Å; S1013-E1015 PolarHBondContact O-N 3.1Å; S1013-K1016 PolarHBondContact O-N 2.96Å; S1013-K1016 VanDerWaalsContact O-N 3.08Å; S1013-N1017 WeakPolarHBondContact O-CB 3.45Å; S1013-N1017 PolarHBondContact O-N 2.98Å |
| 1014 | A | 36.5 | Very low | 39.4 | Very low | 48 Ų | 48 | 92.9 Ų | 92.9 | 40% | 0.397 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67 | -40.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1010 V1011 K1016 G1018 L1023 | L1010-A1014 WeakPolarHBondContact O-CB 3.34Å; L1010-A1014 PolarHBondContact O-N 3.05Å; V1011-A1014 WeakPolarHBondContact O-CB 3.26Å; V1011-A1014 PolarHBondContact O-N 2.96Å; V1011-A1014 VanDerWaalsContact O-N 3.12Å; A1014-K1016 VanDerWaalsContact C-N 3.31Å; A1014-K1016 PolarHBondContact O-N 3.21Å; A1014-G1018 PolarHBondContact O-N 3.38Å; A1014-L1023 HydrophobicContact CB-CD1 4.42Å |
| 1015 | E | 37.3 | Very low | 39.6 | Very low | 152.6 Ų | 152.6 | 93 Ų | 93 | 71% | 0.713 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -81.4 | -25.2 | 171.2 | -81.1 | -178.8 | 146.6 | 0 | 0 | 113.2 | V1011 R1012 S1013 | V1011-E1015 WeakPolarHBondContact O-CG 3.42Å; V1011-E1015 PolarHBondContact O-N 2.94Å; V1011-E1015 VanDerWaalsContact O-N 3.11Å; R1012-E1015 WeakPolarHBondContact CA-OE2 3.17Å; S1013-E1015 VanDerWaalsContact C-N 3.31Å; S1013-E1015 PolarHBondContact O-N 3.1Å |
| 1016 | K | 39.6 | Very low | 39.5 | Very low | 178 Ų | 178 | 89.9 Ų | 89.9 | 77% | 0.774 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -88.2 | -33.3 | 178.4 | -78.7 | 178.6 | 173.4 | 175.8 | 0 | 115.4 | R1012 S1013 A1014 | R1012-K1016 PolarHBondContact O-N 2.87Å; S1013-K1016 PolarHBondContact O-N 2.96Å; S1013-K1016 VanDerWaalsContact O-N 3.08Å; A1014-K1016 VanDerWaalsContact C-N 3.31Å; A1014-K1016 PolarHBondContact O-N 3.21Å |
| 1017 | N | 35.2 | Very low | 39.6 | Very low | 126.4 Ų | 126.4 | 86.6 Ų | 86.6 | 68% | 0.676 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -127.5 | 100.6 | -169.4 | -74.5 | -18.2 | 0 | 0 | 0 | 109.8 | S1013 S1019 | S1013-N1017 WeakPolarHBondContact O-CB 3.45Å; S1013-N1017 PolarHBondContact O-N 2.98Å; N1017-S1019 PolarHBondContact O-N 3.12Å |
| 1018 | G | 34.7 | Very low | 39.8 | Very low | 76.4 Ų | 76.4 | 85.9 Ų | 85.9 | 79% | 0.788 | 49% | 0.489 | S | S | * | . | trans | -74.4 | 58.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | A1014 V1020 | A1014-G1018 PolarHBondContact O-N 3.38Å; G1018-V1020 PolarHBondContact O-N 3.43Å | ||
| 1019 | S | 37.1 | Very low | 40.1 | Very low | 55.6 Ų | 55.6 | 91.1 Ų | 91.1 | 39% | 0.389 | 50% | 0.504 | S | S | . | . | trans | -125 | 101 | -176 | 167.6 | 0 | 0 | 0 | 0 | 110.7 | N50 R52 N1017 S1021 S1022 | N50-S1019 PolarHBondContact ND2-O 3.15Å; N50-S1019 PolarHBondContact ND2-OG 3.07Å; N50-S1019 WeakPolarHBondContact OD1-CB 2.98Å; N50-S1019 PolarHBondContact OD1-OG 3.14Å; R52-S1019 PolarHBondContact NE-OG 3.01Å; R52-S1019 VanDerWaalsContact NH2-N 3.11Å; R52-S1019 PolarHBondContact NH2-O 3.44Å; R52-S1019 PolarHBondContact NH2-OG 3Å; N1017-S1019 PolarHBondContact O-N 3.12Å; S1019-S1021 PolarHBondContact O-N 3.22Å; S1019-S1021 PolarHBondContact OG-OG 3.09Å; S1019-S1021 VanDerWaalsContact OG-OG 3.13Å; S1019-S1022 PolarHBondContact O-N 2.9Å; S1019-S1022 VanDerWaalsContact O-N 3.15Å; S1019-S1022 PolarHBondContact O-OG 2.97Å; S1019-S1022 VanDerWaalsContact O-OG 3.07Å | ||
| 1020 | V | 42 | Very low | 40.4 | Very low | 55.2 Ų | 55.2 | 87.7 Ų | 87.7 | 34% | 0.335 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -73.5 | -7.6 | -175.4 | -179 | 0 | 0 | 0 | 0 | 112.6 | N50 D958 R973 G1018 S1022 L1023 F1024 F1061 | N50-V1020 PolarHBondContact ND2-N 3.14Å; N50-V1020 PolarHBondContact ND2-O 2.81Å; N50-V1020 WeakPolarHBondContact OD1-CB 3.41Å; N50-V1020 PolarHBondContact OD1-N 2.79Å; N50-V1020 VanDerWaalsContact OD1-N 3.1Å; N50-V1020 PolarHBondContact OD1-O 3.42Å; N50-V1020 VanDerWaalsContact OD1-O 3.05Å; D958-V1020 VanDerWaalsContact CG-CA 3.45Å; D958-V1020 WeakPolarHBondContact OD2-CA 3.49Å; D958-V1020 PolarHBondContact OD2-N 2.98Å; R973-V1020 PolarHBondContact NH1-O 3.29Å; G1018-V1020 PolarHBondContact O-N 3.43Å; V1020-S1022 PolarHBondContact O-N 3.21Å; V1020-S1022 VanDerWaalsContact O-N 3.13Å; V1020-L1023 HydrophobicContact CG1-CB 4.49Å; V1020-L1023 HydrophobicContact CG1-CD1 4.32Å; V1020-L1023 VanDerWaalsContact O-CB 3.27Å; V1020-L1023 WeakPolarHBondContact O-CB 3.41Å; V1020-L1023 PolarHBondContact O-N 3.32Å; V1020-L1023 VanDerWaalsContact O-N 3.09Å; V1020-F1024 HydrophobicContact CG1-CE2 4.13Å; V1020-F1024 WeakPolarHBondContact O-CD2 3.28Å; V1020-F1061 HydrophobicContact CG1-CE1 4.04Å; V1020-F1061 HydrophobicContact CG1-CZ 3.65Å |
| 1021 | S | 40.2 | Very low | 40.8 | Very low | 64.2 Ų | 64.2 | 83.9 Ų | 83.9 | 45% | 0.449 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -43.7 | 0 | 172.7 | 42.5 | 0 | 0 | 0 | 0 | 117.9 | N25 L26 N48 N49 F952 D958 R973 S1019 L1023 P1025 | N25-S1021 CarbonylContact C-O 2.78Å; N25-S1021 CarbonylContact O-C 3.07Å; N25-S1021 WeakPolarHBondContact O-CB 3.33Å; N25-S1021 PolarHBondContact O-OG 2.81Å; L26-S1021 WeakPolarHBondContact CA-O 3.33Å; L26-S1021 WeakPolarHBondContact CB-O 3.39Å; L26-S1021 WeakPolarHBondContact CD2-O 3.15Å; L26-S1021 WeakPolarHBondContact CG-O 3.23Å; L26-S1021 PolarHBondContact N-O 2.66Å; N48-S1021 VanDerWaalsContact ND2-CB 3.26Å; N48-S1021 WeakPolarHBondContact ND2-CB 3.47Å; N48-S1021 PolarHBondContact O-OG 3.26Å; N49-S1021 VanDerWaalsContact CA-OG 3.25Å; N49-S1021 WeakPolarHBondContact CA-OG 3.17Å; N49-S1021 PolarHBondContact N-OG 3.25Å; F952-S1021 VanDerWaalsContact CD1-CA 3.46Å; F952-S1021 VanDerWaalsContact O-CB 3.24Å; F952-S1021 WeakPolarHBondContact O-CB 3.29Å; D958-S1021 PolarHBondContact OD1-N 3.16Å; R973-S1021 PolarHBondContact NH1-O 2.74Å; S1019-S1021 PolarHBondContact O-N 3.22Å; S1019-S1021 PolarHBondContact OG-OG 3.09Å; S1019-S1021 VanDerWaalsContact OG-OG 3.13Å; S1021-L1023 VanDerWaalsContact C-N 3.34Å; S1021-P1025 WeakPolarHBondContact O-CD 3.31Å |
| 1022 | S | 42 | Very low | 41.1 | Very low | 54.4 Ų | 54.4 | 84.1 Ų | 84.1 | 38% | 0.38 | 47% | 0.472 | S | S | . | . | G | 310 helix | 0 | -23.4 | 0 | 63.7 | 0 | 0 | 0 | 0 | 117.6 | M1 N24 N25 L26 S951 F952 S1019 V1020 | M1-S1022 PolarHBondContact N-O 3.41Å; N24-S1022 VanDerWaalsContact O-CA 3.31Å; N24-S1022 WeakPolarHBondContact O-CA 3.14Å; N24-S1022 WeakPolarHBondContact O-CB 3.06Å; N24-S1022 PolarHBondContact O-N 3.39Å; N24-S1022 PolarHBondContact O-OG 3.46Å; N25-S1022 CarbonylContact C-O 3.58Å; N25-S1022 WeakPolarHBondContact CA-O 3.38Å; N25-S1022 VanDerWaalsContact CB-O 3.31Å; N25-S1022 WeakPolarHBondContact CB-O 3.3Å; N25-S1022 VanDerWaalsContact CG-O 3.31Å; N25-S1022 PolarHBondContact O-N 3.47Å; N25-S1022 PolarHBondContact OD1-O 2.94Å; N25-S1022 VanDerWaalsContact OD1-O 3.14Å; L26-S1022 WeakPolarHBondContact CA-O 2.96Å; L26-S1022 VanDerWaalsContact CB-O 3.26Å; L26-S1022 WeakPolarHBondContact CB-O 3.4Å; L26-S1022 VanDerWaalsContact CD1-C 3.44Å; L26-S1022 VanDerWaalsContact CG-C 3.43Å; L26-S1022 VanDerWaalsContact CG-O 3.3Å; L26-S1022 WeakPolarHBondContact CG-O 3.49Å; L26-S1022 PolarHBondContact N-O 3.4Å; S951-S1022 PolarHBondContact N-OG 2.74Å; S951-S1022 WeakPolarHBondContact OG-CB 3.33Å; S951-S1022 PolarHBondContact OG-OG 3.47Å; F952-S1022 VanDerWaalsContact CD2-CA 3.43Å; F952-S1022 VanDerWaalsContact CE2-CB 3.42Å; F952-S1022 VanDerWaalsContact CG-CB 3.41Å; S1019-S1022 PolarHBondContact O-N 2.9Å; S1019-S1022 VanDerWaalsContact O-N 3.15Å; S1019-S1022 PolarHBondContact O-OG 2.97Å; S1019-S1022 VanDerWaalsContact O-OG 3.07Å; V1020-S1022 PolarHBondContact O-N 3.21Å; V1020-S1022 VanDerWaalsContact O-N 3.13Å | |
| 1023 | L | 41.9 | Very low | 41.5 | Very low | 47 Ų | 47 | 78.6 Ų | 78.6 | 25% | 0.246 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -84.9 | -40.6 | 177.3 | -99 | 165.8 | 0 | 0 | 0 | 112.4 | M1 N25 I944 M976 A1014 V1020 S1021 A1026 L1027 V1057 | M1-L1023 HydrophobicContact CB-CB 4.13Å; M1-L1023 HydrophobicContact CB-CD2 3.43Å; M1-L1023 VanDerWaalsContact CB-CD2 3.43Å; M1-L1023 HydrophobicContact CB-CG 3.82Å; M1-L1023 HydrophobicContact CE-CD2 3.99Å; M1-L1023 HydrophobicContact CG-CD2 3.81Å; M1-L1023 HydrophobicContact SD-CD2 3.35Å; M1-L1023 WeakPolarHBondContact SD-CD2 3.5Å; N25-L1023 WeakPolarHBondContact OD1-CA 3.41Å; N25-L1023 PolarHBondContact OD1-O 3.41Å; I944-L1023 WeakPolarHBondContact O-CB 3.36Å; I944-L1023 WeakPolarHBondContact O-CD1 3.41Å; I944-L1023 WeakPolarHBondContact O-CD2 3.17Å; I944-L1023 WeakPolarHBondContact O-CG 3.45Å; M976-L1023 HydrophobicContact CB-CD1 3.84Å; M976-L1023 HydrophobicContact CB-CG 4.28Å; M976-L1023 HydrophobicContact CE-CB 4.31Å; M976-L1023 HydrophobicContact CG-CD1 3.79Å; M976-L1023 HydrophobicContact CG-CG 4.43Å; M976-L1023 HydrophobicContact SD-CB 3.58Å; M976-L1023 VanDerWaalsContact SD-CB 3.58Å; M976-L1023 HydrophobicContact SD-CD1 3.8Å; M976-L1023 HydrophobicContact SD-CG 3.96Å; A1014-L1023 HydrophobicContact CB-CD1 4.42Å; V1020-L1023 HydrophobicContact CG1-CB 4.49Å; V1020-L1023 HydrophobicContact CG1-CD1 4.32Å; V1020-L1023 VanDerWaalsContact O-CB 3.27Å; V1020-L1023 WeakPolarHBondContact O-CB 3.41Å; V1020-L1023 PolarHBondContact O-N 3.32Å; V1020-L1023 VanDerWaalsContact O-N 3.09Å; S1021-L1023 VanDerWaalsContact C-N 3.34Å; L1023-A1026 PolarHBondContact O-N 3.07Å; L1023-L1027 HydrophobicContact CB-CD1 4.46Å; L1023-L1027 HydrophobicContact CD2-CD1 3.96Å; L1023-L1027 HydrophobicContact CD2-CG 4.25Å; L1023-L1027 WeakPolarHBondContact O-CB 3.1Å; L1023-L1027 WeakPolarHBondContact O-CD1 3.31Å; L1023-L1027 WeakPolarHBondContact O-CG 3.37Å; L1023-L1027 PolarHBondContact O-N 3.2Å; L1023-V1057 HydrophobicContact CD1-CG1 3.62Å; L1023-V1057 HydrophobicContact CD2-CG1 4Å; L1023-V1057 HydrophobicContact CG-CG1 4.49Å |
| 1024 | F | 43.2 | Very low | 42 | Very low | 39 Ų | 39 | 77.6 Ų | 77.6 | 17% | 0.171 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -56.9 | -31.8 | 176.2 | -70.7 | -83.6 | 0 | 0 | 0 | 114.7 | I941 K942 Y943 I944 K948 V949 R950 M976 V1020 A1026 L1027 D1028 F1061 Q1066 N1069 I1070 | I941-F1024 VanDerWaalsContact C-CZ 3.47Å; I941-F1024 WeakPolarHBondContact O-CE2 3.06Å; I941-F1024 WeakPolarHBondContact O-CZ 3.26Å; K942-F1024 VanDerWaalsContact C-CE1 3.49Å; K942-F1024 WeakPolarHBondContact O-CE1 2.97Å; K942-F1024 VanDerWaalsContact O-CZ 3.26Å; K942-F1024 WeakPolarHBondContact O-CZ 3.25Å; Y943-F1024 VanDerWaalsContact C-CD1 3.44Å; Y943-F1024 VanDerWaalsContact CA-CE1 3.48Å; Y943-F1024 VanDerWaalsContact N-CZ 3.31Å; Y943-F1024 WeakPolarHBondContact O-CD1 3.35Å; Y943-F1024 WeakPolarHBondContact O-CE1 3.26Å; I944-F1024 HydrophobicContact CB-CB 4.1Å; I944-F1024 HydrophobicContact CB-CD1 3.78Å; I944-F1024 HydrophobicContact CB-CD2 2.63Å; I944-F1024 HydrophobicContact CB-CE1 3.97Å; I944-F1024 HydrophobicContact CB-CE2 2.9Å; I944-F1024 HydrophobicContact CB-CG 3.14Å; I944-F1024 HydrophobicContact CB-CZ 3.56Å; I944-F1024 HydrophobicContact CG1-CD2 4.19Å; I944-F1024 HydrophobicContact CG1-CE2 4.2Å; I944-F1024 HydrophobicContact CG2-CB 3.39Å; I944-F1024 HydrophobicContact CG2-CD1 4.12Å; I944-F1024 HydrophobicContact CG2-CD2 2.9Å; I944-F1024 HydrophobicContact CG2-CE2 3.9Å; I944-F1024 HydrophobicContact CG2-CG 3.04Å; I944-F1024 VanDerWaalsContact N-CD1 3.25Å; I944-F1024 WeakPolarHBondContact O-CA 3.45Å; I944-F1024 WeakPolarHBondContact O-CB 3.35Å; I944-F1024 WeakPolarHBondContact O-CD1 3.19Å; I944-F1024 WeakPolarHBondContact O-CD2 3.16Å; I944-F1024 WeakPolarHBondContact O-CE1 3.3Å; I944-F1024 WeakPolarHBondContact O-CE2 3.3Å; I944-F1024 WeakPolarHBondContact O-CG 3.02Å; I944-F1024 PolarHBondContact O-N 2.95Å; K948-F1024 CarbonylContact C-O 3.15Å; K948-F1024 VanDerWaalsContact C-O 3.25Å; K948-F1024 VanDerWaalsContact CB-C 3.48Å; K948-F1024 HydrophobicContact CB-CB 3.98Å; K948-F1024 HydrophobicContact CB-CD1 3.95Å; K948-F1024 HydrophobicContact CB-CG 4.4Å; K948-F1024 HydrophobicContact CD-CD1 4.31Å; K948-F1024 HydrophobicContact CG-CB 4.37Å; K948-F1024 HydrophobicContact CG-CD1 3.62Å; K948-F1024 HydrophobicContact CG-CG 4.37Å; V949-F1024 CarbonylContact C-O 3.28Å; V949-F1024 WeakPolarHBondContact O-CB 3.1Å; R950-F1024 WeakPolarHBondContact CA-O 3.28Å; R950-F1024 PolarHBondContact N-O 3.42Å; M976-F1024 HydrophobicContact CE-CD2 4.19Å; M976-F1024 HydrophobicContact CE-CE2 3.81Å; V1020-F1024 HydrophobicContact CG1-CE2 4.13Å; V1020-F1024 WeakPolarHBondContact O-CD2 3.28Å; F1024-A1026 VanDerWaalsContact C-N 3.31Å; F1024-A1026 PolarHBondContact O-N 2.96Å; F1024-L1027 PolarHBondContact O-N 3.12Å; F1024-L1027 VanDerWaalsContact O-N 3.12Å; F1024-D1028 PolarHBondContact O-N 3.16Å; F1024-F1061 AromaticContact CE1-CE1 3.81Å; F1024-F1061 HydrophobicContact CE1-CE1 4.06Å; F1024-F1061 AromaticContact CE1-CZ 3.62Å; F1024-F1061 HydrophobicContact CE1-CZ 4.12Å; F1024-F1061 AromaticContact CZ-CE1 3.58Å; F1024-F1061 HydrophobicContact CZ-CE1 4.06Å; F1024-F1061 AromaticContact CZ-CZ 3.59Å; F1024-F1061 HydrophobicContact CZ-CZ 4.06Å; F1024-Q1066 HydrophobicContact CE1-CB 4.26Å; F1024-Q1066 HydrophobicContact CE2-CB 4.49Å; F1024-Q1066 HydrophobicContact CE2-CG 4.5Å; F1024-Q1066 HydrophobicContact CZ-CB 4.04Å; F1024-Q1066 HydrophobicContact CZ-CG 4.21Å; F1024-Q1066 VanDerWaalsContact CZ-OE1 3.25Å; F1024-N1069 HydrophobicContact CD1-CB 3.63Å; F1024-N1069 VanDerWaalsContact CD1-CB 3.42Å; F1024-N1069 WeakPolarHBondContact CD1-ND2 3.18Å; F1024-N1069 HydrophobicContact CE1-CB 4.04Å; F1024-N1069 HydrophobicContact CG-CB 4.3Å; F1024-N1069 WeakPolarHBondContact CG-ND2 3.42Å; F1024-I1070 HydrophobicContact CD1-CG1 4.44Å; F1024-I1070 HydrophobicContact CE1-CG1 3.87Å |
| 1025 | P | 43.6 | Very low | 42.5 | Very low | 68 Ų | 68 | 77.1 Ų | 77.1 | 44% | 0.442 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -71.7 | -34.4 | 167.3 | -21.9 | 34.8 | 0 | 0 | 0 | 114.5 | E21 K948 S1021 D1028 Q1029 | E21-P1025 WeakPolarHBondContact O-CG 3.24Å; K948-P1025 VanDerWaalsContact CD-O 3.28Å; K948-P1025 WeakPolarHBondContact CD-O 3.45Å; K948-P1025 PolarHBondContact NZ-O 2.76Å; K948-P1025 WeakPolarHBondContact O-CA 3.31Å; S1021-P1025 WeakPolarHBondContact O-CD 3.31Å; P1025-D1028 PolarHBondContact O-N 3.21Å; P1025-Q1029 WeakPolarHBondContact O-CG 3.29Å; P1025-Q1029 PolarHBondContact O-N 2.96Å; P1025-Q1029 VanDerWaalsContact O-N 3.14Å |
| 1026 | A | 41.1 | Very low | 43 | Very low | 30.2 Ų | 30.2 | 75 Ų | 75 | 25% | 0.25 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -82.4 | -34.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | K948 L1023 F1024 D1028 Q1029 L1030 | K948-A1026 HydrophobicContact CB-CB 3.53Å; K948-A1026 HydrophobicContact CD-CB 4.02Å; K948-A1026 HydrophobicContact CG-CB 3.53Å; L1023-A1026 PolarHBondContact O-N 3.07Å; F1024-A1026 VanDerWaalsContact C-N 3.31Å; F1024-A1026 PolarHBondContact O-N 2.96Å; A1026-D1028 PolarHBondContact O-N 2.87Å; A1026-D1028 VanDerWaalsContact O-N 3.07Å; A1026-Q1029 PolarHBondContact O-N 2.95Å; A1026-L1030 VanDerWaalsContact O-CB 3.3Å; A1026-L1030 WeakPolarHBondContact O-CB 3.34Å; A1026-L1030 WeakPolarHBondContact O-CD1 3.39Å; A1026-L1030 VanDerWaalsContact O-CG 3.28Å; A1026-L1030 WeakPolarHBondContact O-CG 3.37Å; A1026-L1030 PolarHBondContact O-N 3.16Å |
| 1027 | L | 44.1 | Very low | 43.4 | Very low | 65.2 Ų | 65.2 | 70.1 Ų | 70.1 | 34% | 0.341 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.5 | -32.8 | 176.5 | -98.6 | 124.1 | 0 | 0 | 0 | 113.4 | L1023 F1024 Q1029 L1030 S1031 L1054 F1058 F1061 | L1023-L1027 HydrophobicContact CB-CD1 4.46Å; L1023-L1027 HydrophobicContact CD2-CD1 3.96Å; L1023-L1027 HydrophobicContact CD2-CG 4.25Å; L1023-L1027 WeakPolarHBondContact O-CB 3.1Å; L1023-L1027 WeakPolarHBondContact O-CD1 3.31Å; L1023-L1027 WeakPolarHBondContact O-CG 3.37Å; L1023-L1027 PolarHBondContact O-N 3.2Å; F1024-L1027 PolarHBondContact O-N 3.12Å; F1024-L1027 VanDerWaalsContact O-N 3.12Å; L1027-Q1029 VanDerWaalsContact C-N 3.34Å; L1027-Q1029 PolarHBondContact O-N 3.15Å; L1027-L1030 CarbonylContact O-C 3.48Å; L1027-L1030 PolarHBondContact O-N 3.02Å; L1027-S1031 WeakPolarHBondContact O-CA 3.47Å; L1027-S1031 VanDerWaalsContact O-CB 3.32Å; L1027-S1031 WeakPolarHBondContact O-CB 3.39Å; L1027-S1031 PolarHBondContact O-N 3.31Å; L1027-L1054 HydrophobicContact CD2-CD2 4.28Å; L1027-F1058 HydrophobicContact CD1-CZ 4.22Å; L1027-F1058 HydrophobicContact CD2-CE1 4.28Å; L1027-F1058 HydrophobicContact CD2-CE2 4.22Å; L1027-F1058 HydrophobicContact CD2-CZ 4.32Å; L1027-F1061 HydrophobicContact CD2-CE2 4.26Å; L1027-F1061 HydrophobicContact CD2-CZ 4.11Å |
| 1028 | D | 44.7 | Very low | 44 | Very low | 96.2 Ų | 96.2 | 67.6 Ų | 67.6 | 51% | 0.514 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.8 | -36.6 | 177.6 | -97.3 | -10.3 | 0 | 0 | 0 | 112.2 | F1024 P1025 A1026 L1030 S1031 S1071 | F1024-D1028 PolarHBondContact O-N 3.16Å; P1025-D1028 PolarHBondContact O-N 3.21Å; A1026-D1028 PolarHBondContact O-N 2.87Å; A1026-D1028 VanDerWaalsContact O-N 3.07Å; D1028-L1030 VanDerWaalsContact C-N 3.31Å; D1028-L1030 PolarHBondContact O-N 3.22Å; D1028-S1031 WeakPolarHBondContact O-CB 3.44Å; D1028-S1031 PolarHBondContact O-N 2.89Å; D1028-S1031 VanDerWaalsContact O-N 3.07Å; D1028-S1031 PolarHBondContact O-OG 3.28Å; D1028-S1071 WeakPolarHBondContact OD1-CB 3.4Å; D1028-S1071 PolarHBondContact OD1-OG 2.94Å |
| 1029 | Q | 47.7 | Very low | 44.6 | Very low | 142.6 Ų | 142.6 | 71 Ų | 71 | 67% | 0.666 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -65.4 | -31.6 | 177.4 | -72.5 | -176.7 | -14 | 0 | 0 | 113.3 | P1025 A1026 L1027 S1031 P1033 | P1025-Q1029 WeakPolarHBondContact O-CG 3.29Å; P1025-Q1029 PolarHBondContact O-N 2.96Å; P1025-Q1029 VanDerWaalsContact O-N 3.14Å; A1026-Q1029 PolarHBondContact O-N 2.95Å; L1027-Q1029 VanDerWaalsContact C-N 3.34Å; L1027-Q1029 PolarHBondContact O-N 3.15Å; Q1029-S1031 VanDerWaalsContact C-N 3.32Å; Q1029-S1031 PolarHBondContact O-N 2.94Å; Q1029-P1033 WeakPolarHBondContact O-CD 3.4Å; Q1029-P1033 WeakPolarHBondContact O-CG 3.44Å |
| 1030 | L | 44.7 | Very low | 45 | Very low | 80 Ų | 80 | 71.2 Ų | 71.2 | 42% | 0.419 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -79.2 | -19.5 | 177.5 | -75 | 168.4 | 0 | 0 | 0 | 114.1 | L1004 A1026 L1027 D1028 N1032 P1033 L1034 | L1004-L1030 HydrophobicContact CD2-CD2 3.42Å; A1026-L1030 VanDerWaalsContact O-CB 3.3Å; A1026-L1030 WeakPolarHBondContact O-CB 3.34Å; A1026-L1030 WeakPolarHBondContact O-CD1 3.39Å; A1026-L1030 VanDerWaalsContact O-CG 3.28Å; A1026-L1030 WeakPolarHBondContact O-CG 3.37Å; A1026-L1030 PolarHBondContact O-N 3.16Å; L1027-L1030 CarbonylContact O-C 3.48Å; L1027-L1030 PolarHBondContact O-N 3.02Å; D1028-L1030 VanDerWaalsContact C-N 3.31Å; D1028-L1030 PolarHBondContact O-N 3.22Å; L1030-N1032 PolarHBondContact O-N 2.9Å; L1030-P1033 WeakPolarHBondContact O-CD 3.34Å; L1030-L1034 HydrophobicContact CD2-CD1 4.46Å; L1030-L1034 WeakPolarHBondContact O-CB 3.44Å; L1030-L1034 PolarHBondContact O-N 3.13Å |
| 1031 | S | 46.7 | Very low | 44.9 | Very low | 40.2 Ų | 40.2 | 77.3 Ų | 77.3 | 28% | 0.281 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.3 | -44.9 | -171.7 | 66.1 | 0 | 0 | 0 | 0 | 113.8 | L1027 D1028 Q1029 L1034 A1035 S1071 | L1027-S1031 WeakPolarHBondContact O-CA 3.47Å; L1027-S1031 VanDerWaalsContact O-CB 3.32Å; L1027-S1031 WeakPolarHBondContact O-CB 3.39Å; L1027-S1031 PolarHBondContact O-N 3.31Å; D1028-S1031 WeakPolarHBondContact O-CB 3.44Å; D1028-S1031 PolarHBondContact O-N 2.89Å; D1028-S1031 VanDerWaalsContact O-N 3.07Å; D1028-S1031 PolarHBondContact O-OG 3.28Å; Q1029-S1031 VanDerWaalsContact C-N 3.32Å; Q1029-S1031 PolarHBondContact O-N 2.94Å; S1031-L1034 PolarHBondContact O-N 2.9Å; S1031-A1035 VanDerWaalsContact O-CB 3.3Å; S1031-A1035 WeakPolarHBondContact O-CB 3.42Å; S1031-A1035 PolarHBondContact O-N 3.08Å; S1031-A1035 VanDerWaalsContact O-N 3.09Å; S1031-S1071 WeakPolarHBondContact CB-OG 3.47Å; S1031-S1071 PolarHBondContact OG-OG 2.9Å; S1031-S1071 VanDerWaalsContact OG-OG 3.07Å |
| 1032 | N | 45.6 | Very low | 45 | Very low | 88.6 Ų | 88.6 | 81.7 Ų | 81.7 | 47% | 0.474 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -72 | -42.2 | -178.3 | -79 | -32.2 | 0 | 0 | 0 | 113.9 | L1030 L1034 A1035 K1036 P1073 | L1030-N1032 PolarHBondContact O-N 2.9Å; N1032-L1034 VanDerWaalsContact C-N 3.33Å; N1032-L1034 PolarHBondContact O-N 3.14Å; N1032-A1035 PolarHBondContact O-N 3.18Å; N1032-K1036 PolarHBondContact O-N 3.25Å; N1032-K1036 VanDerWaalsContact O-N 3.11Å; N1032-P1073 WeakPolarHBondContact OD1-CB 3.2Å; N1032-P1073 VanDerWaalsContact OD1-CG 3.31Å; N1032-P1073 WeakPolarHBondContact OD1-CG 3.49Å |
| 1033 | P | 46 | Very low | 44.9 | Very low | 70.6 Ų | 70.6 | 84.8 Ų | 84.8 | 46% | 0.458 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -57.5 | -41.4 | 171.7 | -27.6 | 35.4 | 0 | 0 | 0 | 113.6 | Q1029 L1030 A1035 K1036 L1037 | Q1029-P1033 WeakPolarHBondContact O-CD 3.4Å; Q1029-P1033 WeakPolarHBondContact O-CG 3.44Å; L1030-P1033 WeakPolarHBondContact O-CD 3.34Å; P1033-A1035 PolarHBondContact O-N 2.88Å; P1033-K1036 PolarHBondContact O-N 3.11Å; P1033-L1037 VanDerWaalsContact O-CB 3.3Å; P1033-L1037 WeakPolarHBondContact O-CB 3.21Å; P1033-L1037 PolarHBondContact O-N 2.92Å |
| 1034 | L | 47.2 | Very low | 45.1 | Very low | 52.2 Ų | 52.2 | 86.4 Ų | 86.4 | 27% | 0.273 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.5 | -41.4 | -178.3 | -147.8 | 75.5 | 0 | 0 | 0 | 111.7 | L1030 S1031 N1032 K1036 L1037 L1038 F1050 L1054 M1074 I1084 | L1030-L1034 HydrophobicContact CD2-CD1 4.46Å; L1030-L1034 WeakPolarHBondContact O-CB 3.44Å; L1030-L1034 PolarHBondContact O-N 3.13Å; S1031-L1034 PolarHBondContact O-N 2.9Å; N1032-L1034 VanDerWaalsContact C-N 3.33Å; N1032-L1034 PolarHBondContact O-N 3.14Å; L1034-K1036 VanDerWaalsContact C-N 3.32Å; L1034-K1036 PolarHBondContact O-N 3.09Å; L1034-L1037 PolarHBondContact O-N 3.24Å; L1034-L1037 VanDerWaalsContact O-N 3.15Å; L1034-L1038 HydrophobicContact CD2-CD1 4.22Å; L1034-L1038 HydrophobicContact CG-CD1 4.09Å; L1034-L1038 HydrophobicContact CG-CG 4.48Å; L1034-L1038 WeakPolarHBondContact O-CB 3.34Å; L1034-L1038 VanDerWaalsContact O-CD1 3.24Å; L1034-L1038 WeakPolarHBondContact O-CD1 3.41Å; L1034-L1038 VanDerWaalsContact O-CG 3.24Å; L1034-L1038 WeakPolarHBondContact O-CG 3.33Å; L1034-L1038 PolarHBondContact O-N 3.07Å; L1034-L1038 VanDerWaalsContact O-N 3.07Å; L1034-F1050 HydrophobicContact CD1-CD1 4.43Å; L1034-F1050 HydrophobicContact CD1-CE1 4.17Å; L1034-L1054 HydrophobicContact CD1-CD1 4.23Å; L1034-L1054 HydrophobicContact CD2-CD1 4.48Å; L1034-M1074 HydrophobicContact CD2-CE 4.21Å; L1034-I1084 HydrophobicContact CD2-CG2 4.45Å |
| 1035 | A | 48.3 | Very low | 45.6 | Very low | 35.6 Ų | 35.6 | 89.1 Ų | 89.1 | 29% | 0.294 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61 | -46.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1031 N1032 P1033 L1037 L1038 E1039 | S1031-A1035 VanDerWaalsContact O-CB 3.3Å; S1031-A1035 WeakPolarHBondContact O-CB 3.42Å; S1031-A1035 PolarHBondContact O-N 3.08Å; S1031-A1035 VanDerWaalsContact O-N 3.09Å; N1032-A1035 PolarHBondContact O-N 3.18Å; P1033-A1035 PolarHBondContact O-N 2.88Å; A1035-L1037 VanDerWaalsContact C-N 3.3Å; A1035-L1037 PolarHBondContact O-N 3.13Å; A1035-L1038 PolarHBondContact O-N 3.11Å; A1035-L1038 VanDerWaalsContact O-N 3.15Å; A1035-E1039 WeakPolarHBondContact O-CG 3.43Å; A1035-E1039 PolarHBondContact O-N 3.18Å; A1035-E1039 VanDerWaalsContact O-N 3.11Å |
| 1036 | K | 47.8 | Very low | 45.8 | Very low | 108.6 Ų | 108.6 | 89.6 Ų | 89.6 | 47% | 0.472 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.9 | -32 | 176.2 | -98.6 | -179.5 | 173.7 | 170.7 | 0 | 113.3 | T922 T983 N1032 P1033 L1034 L1038 E1039 S1040 | T922-K1036 PolarHBondContact OG1-NZ 2.79Å; T922-K1036 VanDerWaalsContact OG1-NZ 3.1Å; T983-K1036 HydrophobicContact CG2-CD 4.13Å; T983-K1036 PolarHBondContact O-NZ 2.93Å; N1032-K1036 PolarHBondContact O-N 3.25Å; N1032-K1036 VanDerWaalsContact O-N 3.11Å; P1033-K1036 PolarHBondContact O-N 3.11Å; L1034-K1036 VanDerWaalsContact C-N 3.32Å; L1034-K1036 PolarHBondContact O-N 3.09Å; K1036-L1038 VanDerWaalsContact C-N 3.27Å; K1036-L1038 PolarHBondContact O-N 3.12Å; K1036-E1039 PolarHBondContact O-N 3.19Å; K1036-S1040 PolarHBondContact O-N 3.29Å |
| 1037 | L | 46.8 | Very low | 46.2 | Very low | 76.6 Ų | 76.6 | 90.6 Ų | 90.6 | 40% | 0.401 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -71.8 | -23.5 | 177.6 | -148.8 | 101.5 | 0 | 0 | 0 | 112.5 | I996 P1033 L1034 A1035 S1040 L1047 | I996-L1037 HydrophobicContact CD1-CD1 3.84Å; P1033-L1037 VanDerWaalsContact O-CB 3.3Å; P1033-L1037 WeakPolarHBondContact O-CB 3.21Å; P1033-L1037 PolarHBondContact O-N 2.92Å; L1034-L1037 PolarHBondContact O-N 3.24Å; L1034-L1037 VanDerWaalsContact O-N 3.15Å; A1035-L1037 VanDerWaalsContact C-N 3.3Å; A1035-L1037 PolarHBondContact O-N 3.13Å; L1037-S1040 PolarHBondContact O-N 2.75Å; L1037-S1040 PolarHBondContact O-OG 3.01Å; L1037-S1040 VanDerWaalsContact O-OG 3.07Å; L1037-L1047 HydrophobicContact CD2-CD1 3.82Å; L1037-L1047 HydrophobicContact CD2-CD2 3.64Å; L1037-L1047 HydrophobicContact CD2-CG 4.23Å; L1037-L1047 HydrophobicContact CG-CD1 4.24Å |
| 1038 | L | 48.2 | Very low | 46.5 | Very low | 73.8 Ų | 73.8 | 95.6 Ų | 95.6 | 39% | 0.386 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -86.9 | -21.7 | -179.6 | -72.2 | 169.5 | 0 | 0 | 0 | 114.1 | L1034 A1035 K1036 S1040 L1047 Y1077 I1084 P1085 | L1034-L1038 HydrophobicContact CD2-CD1 4.22Å; L1034-L1038 HydrophobicContact CG-CD1 4.09Å; L1034-L1038 HydrophobicContact CG-CG 4.48Å; L1034-L1038 WeakPolarHBondContact O-CB 3.34Å; L1034-L1038 VanDerWaalsContact O-CD1 3.24Å; L1034-L1038 WeakPolarHBondContact O-CD1 3.41Å; L1034-L1038 VanDerWaalsContact O-CG 3.24Å; L1034-L1038 WeakPolarHBondContact O-CG 3.33Å; L1034-L1038 PolarHBondContact O-N 3.07Å; L1034-L1038 VanDerWaalsContact O-N 3.07Å; A1035-L1038 PolarHBondContact O-N 3.11Å; A1035-L1038 VanDerWaalsContact O-N 3.15Å; K1036-L1038 VanDerWaalsContact C-N 3.27Å; K1036-L1038 PolarHBondContact O-N 3.12Å; L1038-S1040 VanDerWaalsContact C-N 3.28Å; L1038-S1040 PolarHBondContact O-N 2.9Å; L1038-L1047 HydrophobicContact CD2-CD2 4.19Å; L1038-Y1077 HydrophobicContact CD1-CE1 4.33Å; L1038-I1084 HydrophobicContact CD1-CG2 4.4Å; L1038-P1085 HydrophobicContact CD1-CB 4.09Å; L1038-P1085 HydrophobicContact CD1-CG 3.5Å; L1038-P1085 HydrophobicContact CD2-CB 3.86Å; L1038-P1085 VanDerWaalsContact CD2-CD 3.49Å; L1038-P1085 HydrophobicContact CD2-CG 3.66Å; L1038-P1085 VanDerWaalsContact CD2-CG 3.45Å; L1038-P1085 HydrophobicContact CG-CG 4.15Å |
| 1039 | E | 47.5 | Very low | 47.1 | Very low | 147.8 Ų | 147.8 | 95.8 Ų | 95.8 | 69% | 0.691 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -83.1 | -16.1 | 174.3 | -69.9 | -178.7 | 157.3 | 0 | 0 | 113 | I984 A1035 K1036 Q1041 Y1077 | I984-E1039 WeakPolarHBondContact CD1-O 3.47Å; A1035-E1039 WeakPolarHBondContact O-CG 3.43Å; A1035-E1039 PolarHBondContact O-N 3.18Å; A1035-E1039 VanDerWaalsContact O-N 3.11Å; K1036-E1039 PolarHBondContact O-N 3.19Å; E1039-Q1041 PolarHBondContact O-N 2.96Å; E1039-Y1077 HydrophobicContact CG-CD2 4.43Å; E1039-Y1077 HydrophobicContact CG-CE2 4.02Å |
| 1040 | S | 44.8 | Very low | 47.3 | Very low | 58.6 Ų | 58.6 | 92.1 Ų | 92.1 | 41% | 0.41 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 69.3 | -177.4 | 65.6 | 0 | 0 | 0 | 0 | 114.6 | K1036 L1037 L1038 Q1042 | K1036-S1040 PolarHBondContact O-N 3.29Å; L1037-S1040 PolarHBondContact O-N 2.75Å; L1037-S1040 PolarHBondContact O-OG 3.01Å; L1037-S1040 VanDerWaalsContact O-OG 3.07Å; L1038-S1040 VanDerWaalsContact C-N 3.28Å; L1038-S1040 PolarHBondContact O-N 2.9Å; S1040-Q1042 PolarHBondContact O-N 3.02Å |
| 1041 | Q | 40 | Very low | 47.6 | Very low | 183 Ų | 183 | 91 Ų | 91 | 86% | 0.855 | 48% | 0.481 | S | S | * | . | trans | -39.6 | 50.8 | 170.9 | -72.2 | -110.6 | -15.6 | 0 | 0 | 115 | E1039 | E1039-Q1041 PolarHBondContact O-N 2.96Š| ||
| 1042 | Q | 43 | Very low | 48.1 | Very low | 157 Ų | 157 | 91.4 Ų | 91.4 | 73% | 0.734 | 49% | 0.487 | S | S | * | . | trans | -107.6 | 129.4 | 172.3 | -78.5 | -177.3 | -3.7 | 0 | 0 | 113.7 | S1040 N1044 | S1040-Q1042 PolarHBondContact O-N 3.02Å; Q1042-N1044 PolarHBondContact O-N 3.1Å; Q1042-N1044 VanDerWaalsContact O-N 3.14Å | ||
| 1043 | S | 40.4 | Very low | 48.6 | Very low | 119.8 Ų | 119.8 | 92 Ų | 92 | 84% | 0.838 | 49% | 0.485 | S | S | * | . | trans | -80 | 88.1 | 177.7 | 56.3 | 0 | 0 | 0 | 0 | 113.8 | P1045 | S1043-P1045 WeakPolarHBondContact O-CD 3.23Š| ||
| 1044 | N | 45.6 | Very low | 48.9 | Very low | 81 Ų | 81 | 90.5 Ų | 90.5 | 43% | 0.433 | 47% | 0.473 | S | S | . | . | trans | -98.8 | 132.4 | 172.8 | -164.3 | -43.2 | 0 | 0 | 0 | 111.2 | S997 Q1042 N1046 L1047 K1048 | S997-N1044 VanDerWaalsContact CB-ND2 3.27Å; S997-N1044 WeakPolarHBondContact CB-ND2 3.36Å; Q1042-N1044 PolarHBondContact O-N 3.1Å; Q1042-N1044 VanDerWaalsContact O-N 3.14Å; N1044-N1046 VanDerWaalsContact C-N 3.29Å; N1044-N1046 PolarHBondContact O-N 3.12Å; N1044-N1046 WeakPolarHBondContact OD1-CA 3.44Å; N1044-N1046 WeakPolarHBondContact OD1-CB 3.44Å; N1044-N1046 PolarHBondContact OD1-N 3.05Å; N1044-L1047 HydrophobicContact CB-CB 3.95Å; N1044-L1047 WeakPolarHBondContact O-CB 3.43Å; N1044-L1047 PolarHBondContact O-N 2.76Å; N1044-L1047 PolarHBondContact OD1-N 3.12Å; N1044-K1048 PolarHBondContact O-N 3.27Å | ||
| 1045 | P | 53.4 | Low | 48.9 | Very low | 96.4 Ų | 96.4 | 92.9 Ų | 92.9 | 63% | 0.626 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -70.5 | -33 | -173.3 | 27.3 | -34.5 | 0 | 0 | 0 | 114.1 | S1043 L1047 K1048 E1049 | S1043-P1045 WeakPolarHBondContact O-CD 3.23Å; P1045-L1047 VanDerWaalsContact C-N 3.27Å; P1045-L1047 PolarHBondContact O-N 2.96Å; P1045-K1048 WeakPolarHBondContact O-CA 3.37Å; P1045-K1048 WeakPolarHBondContact O-CB 3.22Å; P1045-K1048 PolarHBondContact O-N 3.15Å; P1045-K1048 VanDerWaalsContact O-N 3.14Å; P1045-E1049 PolarHBondContact O-N 3.47Å |
| 1046 | N | 48.1 | Very low | 49.1 | Very low | 77.2 Ų | 77.2 | 97 Ų | 97 | 41% | 0.413 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.3 | -25.7 | -176.4 | -65 | -3.3 | 0 | 0 | 0 | 111.9 | D998 I1001 N1044 K1048 E1049 F1050 | D998-N1046 PolarHBondContact OD1-ND2 3.49Å; D998-N1046 PolarHBondContact OD2-ND2 3.48Å; I1001-N1046 HydrophobicContact CD1-CB 3.51Å; I1001-N1046 VanDerWaalsContact CD1-CB 3.43Å; I1001-N1046 HydrophobicContact CG2-CB 4.31Å; N1044-N1046 VanDerWaalsContact C-N 3.29Å; N1044-N1046 PolarHBondContact O-N 3.12Å; N1044-N1046 WeakPolarHBondContact OD1-CA 3.44Å; N1044-N1046 WeakPolarHBondContact OD1-CB 3.44Å; N1044-N1046 PolarHBondContact OD1-N 3.05Å; N1046-K1048 VanDerWaalsContact C-N 3.3Å; N1046-K1048 PolarHBondContact O-N 3.04Å; N1046-E1049 PolarHBondContact O-N 2.82Å; N1046-E1049 VanDerWaalsContact O-N 3.12Å; N1046-F1050 WeakPolarHBondContact O-CB 3.41Å; N1046-F1050 PolarHBondContact O-N 3.07Å |
| 1047 | L | 49.8 | Very low | 49.3 | Very low | 52 Ų | 52 | 94.9 Ų | 94.9 | 27% | 0.272 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.4 | -34.1 | 169.8 | -176.7 | 65.1 | 0 | 0 | 0 | 112 | L1037 L1038 N1044 P1045 E1049 F1050 L1051 | L1037-L1047 HydrophobicContact CD2-CD1 3.82Å; L1037-L1047 HydrophobicContact CD2-CD2 3.64Å; L1037-L1047 HydrophobicContact CD2-CG 4.23Å; L1037-L1047 HydrophobicContact CG-CD1 4.24Å; L1038-L1047 HydrophobicContact CD2-CD2 4.19Å; N1044-L1047 HydrophobicContact CB-CB 3.95Å; N1044-L1047 WeakPolarHBondContact O-CB 3.43Å; N1044-L1047 PolarHBondContact O-N 2.76Å; N1044-L1047 PolarHBondContact OD1-N 3.12Å; P1045-L1047 VanDerWaalsContact C-N 3.27Å; P1045-L1047 PolarHBondContact O-N 2.96Å; L1047-E1049 VanDerWaalsContact C-N 3.35Å; L1047-E1049 PolarHBondContact O-N 2.99Å; L1047-F1050 HydrophobicContact CD1-CD1 4.37Å; L1047-F1050 PolarHBondContact O-N 2.95Å; L1047-L1051 HydrophobicContact CD1-CD1 4.28Å; L1047-L1051 HydrophobicContact CD1-CG 4.19Å; L1047-L1051 HydrophobicContact CD2-CD1 4.49Å; L1047-L1051 HydrophobicContact CG-CD1 4.05Å; L1047-L1051 HydrophobicContact CG-CG 4.32Å; L1047-L1051 VanDerWaalsContact O-CB 3.28Å; L1047-L1051 WeakPolarHBondContact O-CB 3.38Å; L1047-L1051 WeakPolarHBondContact O-CD1 3.3Å; L1047-L1051 VanDerWaalsContact O-CG 3.24Å; L1047-L1051 WeakPolarHBondContact O-CG 3.27Å; L1047-L1051 PolarHBondContact O-N 2.91Å; L1047-L1051 VanDerWaalsContact O-N 3.15Å |
| 1048 | K | 50.8 | Low | 49.2 | Very low | 170.2 Ų | 170.2 | 94.7 Ų | 94.7 | 74% | 0.74 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.9 | -34.3 | 179 | -142.5 | 177.1 | -175.4 | 178.5 | 0 | 112.4 | N1044 P1045 N1046 A1052 | N1044-K1048 PolarHBondContact O-N 3.27Å; P1045-K1048 WeakPolarHBondContact O-CA 3.37Å; P1045-K1048 WeakPolarHBondContact O-CB 3.22Å; P1045-K1048 PolarHBondContact O-N 3.15Å; P1045-K1048 VanDerWaalsContact O-N 3.14Å; N1046-K1048 VanDerWaalsContact C-N 3.3Å; N1046-K1048 PolarHBondContact O-N 3.04Å; K1048-A1052 WeakPolarHBondContact O-CB 3.35Å; K1048-A1052 PolarHBondContact O-N 3.1Å; K1048-A1052 VanDerWaalsContact O-N 3.14Å |
| 1049 | E | 56.4 | Low | 49.2 | Very low | 99.8 Ų | 99.8 | 98.5 Ų | 98.5 | 47% | 0.466 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -76.3 | -39.5 | 175.2 | -162.7 | -171.9 | 134.7 | 0 | 0 | 111.7 | P1045 N1046 L1047 L1051 A1052 K1053 | P1045-E1049 PolarHBondContact O-N 3.47Å; N1046-E1049 PolarHBondContact O-N 2.82Å; N1046-E1049 VanDerWaalsContact O-N 3.12Å; L1047-E1049 VanDerWaalsContact C-N 3.35Å; L1047-E1049 PolarHBondContact O-N 2.99Å; E1049-L1051 PolarHBondContact O-N 2.99Å; E1049-A1052 WeakPolarHBondContact O-CB 3.38Å; E1049-A1052 PolarHBondContact O-N 3.14Å; E1049-A1052 VanDerWaalsContact O-N 3.13Å; E1049-K1053 HydrophobicContact CG-CD 4.49Å; E1049-K1053 WeakPolarHBondContact O-CB 3.28Å; E1049-K1053 PolarHBondContact O-N 3.03Å; E1049-K1053 VanDerWaalsContact O-N 3.11Å; E1049-K1053 WeakPolarHBondContact OE1-CE 3.3Å; E1049-K1053 IonicContact OE1-NZ 2.79Å; E1049-K1053 PolarHBondContact OE1-NZ 2.96Å |
| 1050 | F | 52.2 | Low | 49.2 | Very low | 64.8 Ų | 64.8 | 97.6 Ų | 97.6 | 28% | 0.284 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 174 | -178.1 | -108.8 | 0 | 0 | 0 | 112 | L1004 F1005 L1034 N1046 L1047 A1052 K1053 L1054 | L1004-F1050 HydrophobicContact CB-CD2 4.33Å; L1004-F1050 HydrophobicContact CB-CE2 3.94Å; L1004-F1050 HydrophobicContact CB-CZ 4.4Å; L1004-F1050 HydrophobicContact CD1-CD1 4.31Å; L1004-F1050 HydrophobicContact CD1-CD2 4.14Å; L1004-F1050 HydrophobicContact CD1-CE1 3.97Å; L1004-F1050 HydrophobicContact CD1-CE2 3.81Å; L1004-F1050 HydrophobicContact CD1-CG 4.39Å; L1004-F1050 HydrophobicContact CD1-CZ 3.72Å; L1004-F1050 HydrophobicContact CD2-CE2 3.95Å; L1004-F1050 HydrophobicContact CD2-CZ 3.99Å; L1004-F1050 HydrophobicContact CG-CE2 4.07Å; L1004-F1050 HydrophobicContact CG-CZ 4.22Å; F1005-F1050 HydrophobicContact CE2-CD2 4.43Å; L1034-F1050 HydrophobicContact CD1-CD1 4.43Å; L1034-F1050 HydrophobicContact CD1-CE1 4.17Å; N1046-F1050 WeakPolarHBondContact O-CB 3.41Å; N1046-F1050 PolarHBondContact O-N 3.07Å; L1047-F1050 HydrophobicContact CD1-CD1 4.37Å; L1047-F1050 PolarHBondContact O-N 2.95Å; F1050-A1052 VanDerWaalsContact C-N 3.3Å; F1050-A1052 PolarHBondContact O-N 3.15Å; F1050-K1053 PolarHBondContact O-N 2.93Å; F1050-L1054 HydrophobicContact CD1-CD1 3.95Å; F1050-L1054 HydrophobicContact CE1-CD1 3.47Å; F1050-L1054 VanDerWaalsContact CE1-CD1 3.45Å; F1050-L1054 HydrophobicContact CE1-CG 4.3Å; F1050-L1054 HydrophobicContact CE2-CD1 4.32Å; F1050-L1054 HydrophobicContact CE2-CG 4.21Å; F1050-L1054 HydrophobicContact CZ-CD1 3.83Å; F1050-L1054 VanDerWaalsContact CZ-CD1 3.5Å; F1050-L1054 HydrophobicContact CZ-CG 4.18Å; F1050-L1054 WeakPolarHBondContact O-CB 3.34Å; F1050-L1054 WeakPolarHBondContact O-CG 3.39Å; F1050-L1054 PolarHBondContact O-N 3.03Å; F1050-L1054 VanDerWaalsContact O-N 3.16Å |
| 1051 | L | 51.8 | Low | 49.2 | Very low | 57 Ų | 57 | 99.8 Ų | 99.8 | 30% | 0.298 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -34.3 | 173.7 | -73.8 | 170.4 | 0 | 0 | 0 | 112.6 | L1047 E1049 L1054 Q1055 P1085 | L1047-L1051 HydrophobicContact CD1-CD1 4.28Å; L1047-L1051 HydrophobicContact CD1-CG 4.19Å; L1047-L1051 HydrophobicContact CD2-CD1 4.49Å; L1047-L1051 HydrophobicContact CG-CD1 4.05Å; L1047-L1051 HydrophobicContact CG-CG 4.32Å; L1047-L1051 VanDerWaalsContact O-CB 3.28Å; L1047-L1051 WeakPolarHBondContact O-CB 3.38Å; L1047-L1051 WeakPolarHBondContact O-CD1 3.3Å; L1047-L1051 VanDerWaalsContact O-CG 3.24Å; L1047-L1051 WeakPolarHBondContact O-CG 3.27Å; L1047-L1051 PolarHBondContact O-N 2.91Å; L1047-L1051 VanDerWaalsContact O-N 3.15Å; E1049-L1051 PolarHBondContact O-N 2.99Å; L1051-L1054 PolarHBondContact O-N 2.91Å; L1051-Q1055 WeakPolarHBondContact O-CB 3.19Å; L1051-Q1055 VanDerWaalsContact O-CG 3.29Å; L1051-Q1055 WeakPolarHBondContact O-CG 3.27Å; L1051-Q1055 PolarHBondContact O-N 3Å; L1051-P1085 HydrophobicContact CD1-CB 4.46Å; L1051-P1085 HydrophobicContact CD2-CB 4.34Å; L1051-P1085 HydrophobicContact CD2-CG 4.47Å |
| 1052 | A | 56.3 | Low | 48.9 | Very low | 49.6 Ų | 49.6 | 95.2 Ų | 95.2 | 41% | 0.41 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.1 | -40.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K1048 E1049 F1050 L1054 Q1055 E1056 | K1048-A1052 WeakPolarHBondContact O-CB 3.35Å; K1048-A1052 PolarHBondContact O-N 3.1Å; K1048-A1052 VanDerWaalsContact O-N 3.14Å; E1049-A1052 WeakPolarHBondContact O-CB 3.38Å; E1049-A1052 PolarHBondContact O-N 3.14Å; E1049-A1052 VanDerWaalsContact O-N 3.13Å; F1050-A1052 VanDerWaalsContact C-N 3.3Å; F1050-A1052 PolarHBondContact O-N 3.15Å; A1052-L1054 VanDerWaalsContact C-N 3.35Å; A1052-L1054 PolarHBondContact O-N 3.16Å; A1052-Q1055 CarbonylContact O-C 3.17Å; A1052-Q1055 WeakPolarHBondContact O-CA 3.28Å; A1052-Q1055 WeakPolarHBondContact O-CB 3.32Å; A1052-Q1055 PolarHBondContact O-N 3.06Å; A1052-Q1055 VanDerWaalsContact O-N 3.14Å; A1052-E1056 PolarHBondContact O-N 3.02Å |
| 1053 | K | 55.7 | Low | 48.8 | Very low | 99.6 Ų | 99.6 | 91.5 Ų | 91.5 | 43% | 0.433 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.5 | -38.5 | 176 | -73.9 | 170.9 | 175.9 | 169.2 | 0 | 112.3 | F1005 E1049 F1050 Q1055 E1056 V1057 | F1005-K1053 HydrophobicContact CE2-CD 4.14Å; F1005-K1053 HydrophobicContact CZ-CD 4.03Å; E1049-K1053 HydrophobicContact CG-CD 4.49Å; E1049-K1053 WeakPolarHBondContact O-CB 3.28Å; E1049-K1053 PolarHBondContact O-N 3.03Å; E1049-K1053 VanDerWaalsContact O-N 3.11Å; E1049-K1053 WeakPolarHBondContact OE1-CE 3.3Å; E1049-K1053 IonicContact OE1-NZ 2.79Å; E1049-K1053 PolarHBondContact OE1-NZ 2.96Å; F1050-K1053 PolarHBondContact O-N 2.93Å; K1053-Q1055 VanDerWaalsContact C-N 3.33Å; K1053-Q1055 PolarHBondContact O-N 3.23Å; K1053-E1056 PolarHBondContact O-N 2.91Å; K1053-E1056 VanDerWaalsContact O-N 3.14Å; K1053-V1057 PolarHBondContact O-N 3.01Å; K1053-V1057 VanDerWaalsContact O-N 3.08Å |
| 1054 | L | 52.3 | Low | 48.8 | Very low | 39.8 Ų | 39.8 | 89.4 Ų | 89.4 | 21% | 0.208 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -60.4 | -37.3 | 169.9 | -88.3 | 168.2 | 0 | 0 | 0 | 112.4 | L1027 L1034 F1050 L1051 A1052 E1056 V1057 F1058 | L1027-L1054 HydrophobicContact CD2-CD2 4.28Å; L1034-L1054 HydrophobicContact CD1-CD1 4.23Å; L1034-L1054 HydrophobicContact CD2-CD1 4.48Å; F1050-L1054 HydrophobicContact CD1-CD1 3.95Å; F1050-L1054 HydrophobicContact CE1-CD1 3.47Å; F1050-L1054 VanDerWaalsContact CE1-CD1 3.45Å; F1050-L1054 HydrophobicContact CE1-CG 4.3Å; F1050-L1054 HydrophobicContact CE2-CD1 4.32Å; F1050-L1054 HydrophobicContact CE2-CG 4.21Å; F1050-L1054 HydrophobicContact CZ-CD1 3.83Å; F1050-L1054 VanDerWaalsContact CZ-CD1 3.5Å; F1050-L1054 HydrophobicContact CZ-CG 4.18Å; F1050-L1054 WeakPolarHBondContact O-CB 3.34Å; F1050-L1054 WeakPolarHBondContact O-CG 3.39Å; F1050-L1054 PolarHBondContact O-N 3.03Å; F1050-L1054 VanDerWaalsContact O-N 3.16Å; L1051-L1054 PolarHBondContact O-N 2.91Å; A1052-L1054 VanDerWaalsContact C-N 3.35Å; A1052-L1054 PolarHBondContact O-N 3.16Å; L1054-E1056 VanDerWaalsContact C-N 3.29Å; L1054-E1056 PolarHBondContact O-N 3.1Å; L1054-V1057 PolarHBondContact O-N 2.99Å; L1054-F1058 HydrophobicContact CB-CD2 4.37Å; L1054-F1058 HydrophobicContact CB-CE2 4.33Å; L1054-F1058 HydrophobicContact CD2-CD2 4.26Å; L1054-F1058 HydrophobicContact CD2-CE2 4.13Å; L1054-F1058 WeakPolarHBondContact O-CB 3.32Å; L1054-F1058 VanDerWaalsContact O-CD2 3.26Å; L1054-F1058 WeakPolarHBondContact O-CD2 3.39Å; L1054-F1058 PolarHBondContact O-N 3.31Å |
| 1055 | Q | 47.5 | Very low | 48.7 | Very low | 102.4 Ų | 102.4 | 90 Ų | 90 | 48% | 0.479 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.9 | -25.9 | 175.3 | -78 | 178.5 | 1.1 | 0 | 0 | 113.5 | L1051 A1052 K1053 K1059 G1086 | L1051-Q1055 WeakPolarHBondContact O-CB 3.19Å; L1051-Q1055 VanDerWaalsContact O-CG 3.29Å; L1051-Q1055 WeakPolarHBondContact O-CG 3.27Å; L1051-Q1055 PolarHBondContact O-N 3Å; A1052-Q1055 CarbonylContact O-C 3.17Å; A1052-Q1055 WeakPolarHBondContact O-CA 3.28Å; A1052-Q1055 WeakPolarHBondContact O-CB 3.32Å; A1052-Q1055 PolarHBondContact O-N 3.06Å; A1052-Q1055 VanDerWaalsContact O-N 3.14Å; K1053-Q1055 VanDerWaalsContact C-N 3.33Å; K1053-Q1055 PolarHBondContact O-N 3.23Å; Q1055-K1059 VanDerWaalsContact O-CB 3.29Å; Q1055-K1059 WeakPolarHBondContact O-CB 3.32Å; Q1055-K1059 WeakPolarHBondContact O-CD 3.31Å; Q1055-K1059 WeakPolarHBondContact O-CG 3.26Å; Q1055-K1059 PolarHBondContact O-N 3Å; Q1055-K1059 VanDerWaalsContact O-N 3.11Å; Q1055-G1086 WeakPolarHBondContact CG-O 3.45Å; Q1055-G1086 PolarHBondContact NE2-O 2.9Å |
| 1056 | E | 53.3 | Low | 48.4 | Very low | 121.4 Ų | 121.4 | 90.1 Ų | 90.1 | 57% | 0.567 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -75.2 | -41.7 | 172.3 | -81.3 | -161.7 | 131.4 | 0 | 0 | 112.2 | A1052 K1053 L1054 F1058 K1059 N1060 | A1052-E1056 PolarHBondContact O-N 3.02Å; K1053-E1056 PolarHBondContact O-N 2.91Å; K1053-E1056 VanDerWaalsContact O-N 3.14Å; L1054-E1056 VanDerWaalsContact C-N 3.29Å; L1054-E1056 PolarHBondContact O-N 3.1Å; E1056-F1058 VanDerWaalsContact C-N 3.33Å; E1056-F1058 PolarHBondContact O-N 3Å; E1056-K1059 HydrophobicContact CG-CD 4.38Å; E1056-K1059 WeakPolarHBondContact O-CB 3.28Å; E1056-K1059 PolarHBondContact O-N 3.17Å; E1056-K1059 VanDerWaalsContact O-N 3.1Å; E1056-K1059 IonicContact OE1-NZ 2.83Å; E1056-N1060 PolarHBondContact O-N 2.85Å; E1056-N1060 PolarHBondContact O-ND2 3.3Å |
| 1057 | V | 50.2 | Low | 48.4 | Very low | 66 Ų | 66 | 88.7 Ų | 88.7 | 40% | 0.4 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.9 | -43.8 | 175.2 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | V1011 L1023 K1053 L1054 K1059 N1060 | V1011-V1057 HydrophobicContact CG1-CG2 4.22Å; L1023-V1057 HydrophobicContact CD1-CG1 3.62Å; L1023-V1057 HydrophobicContact CD2-CG1 4Å; L1023-V1057 HydrophobicContact CG-CG1 4.49Å; K1053-V1057 PolarHBondContact O-N 3.01Å; K1053-V1057 VanDerWaalsContact O-N 3.08Å; L1054-V1057 PolarHBondContact O-N 2.99Å; V1057-K1059 VanDerWaalsContact C-N 3.32Å; V1057-K1059 PolarHBondContact O-N 3.13Å; V1057-N1060 PolarHBondContact O-N 2.89Å; V1057-N1060 VanDerWaalsContact O-N 3.17Å |
| 1058 | F | 46.3 | Very low | 48.2 | Very low | 71 Ų | 71 | 95 Ų | 95 | 31% | 0.311 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -73.6 | -21.3 | 178 | -77 | -64.2 | 0 | 0 | 0 | 114.5 | L1027 L1054 E1056 N1060 F1061 I1084 V1087 L1091 L1095 | L1027-F1058 HydrophobicContact CD1-CZ 4.22Å; L1027-F1058 HydrophobicContact CD2-CE1 4.28Å; L1027-F1058 HydrophobicContact CD2-CE2 4.22Å; L1027-F1058 HydrophobicContact CD2-CZ 4.32Å; L1054-F1058 HydrophobicContact CB-CD2 4.37Å; L1054-F1058 HydrophobicContact CB-CE2 4.33Å; L1054-F1058 HydrophobicContact CD2-CD2 4.26Å; L1054-F1058 HydrophobicContact CD2-CE2 4.13Å; L1054-F1058 WeakPolarHBondContact O-CB 3.32Å; L1054-F1058 VanDerWaalsContact O-CD2 3.26Å; L1054-F1058 WeakPolarHBondContact O-CD2 3.39Å; L1054-F1058 PolarHBondContact O-N 3.31Å; E1056-F1058 VanDerWaalsContact C-N 3.33Å; E1056-F1058 PolarHBondContact O-N 3Å; F1058-N1060 VanDerWaalsContact C-N 3.3Å; F1058-N1060 PolarHBondContact O-N 2.97Å; F1058-F1061 AromaticContact CD1-CD2 3.89Å; F1058-F1061 HydrophobicContact CD1-CD2 3.97Å; F1058-F1061 AromaticContact CD1-CE2 3.96Å; F1058-F1061 HydrophobicContact CD1-CE2 3.98Å; F1058-F1061 HydrophobicContact CE1-CD2 4.42Å; F1058-F1061 HydrophobicContact CE1-CE2 4.06Å; F1058-F1061 HydrophobicContact CE1-CZ 4.36Å; F1058-F1061 PolarHBondContact O-N 3.32Å; F1058-I1084 HydrophobicContact CE2-CG2 4.47Å; F1058-V1087 HydrophobicContact CD1-CG2 4.22Å; F1058-V1087 HydrophobicContact CD2-CG2 3.54Å; F1058-V1087 HydrophobicContact CE1-CG2 4.5Å; F1058-V1087 HydrophobicContact CE2-CG2 3.71Å; F1058-V1087 HydrophobicContact CG-CG1 4.47Å; F1058-V1087 HydrophobicContact CG-CG2 4.17Å; F1058-V1087 HydrophobicContact CZ-CG2 4.37Å; F1058-L1091 HydrophobicContact CB-CD2 3.69Å; F1058-L1091 HydrophobicContact CD1-CD2 4.09Å; F1058-L1091 HydrophobicContact CG-CD2 4.24Å; F1058-L1091 WeakPolarHBondContact O-CD2 3.39Å; F1058-L1095 HydrophobicContact CD1-CD1 4.46Å; F1058-L1095 HydrophobicContact CE1-CD1 4.38Å |
| 1059 | K | 47.1 | Very low | 48.2 | Very low | 153.8 Ų | 153.8 | 92.1 Ų | 92.1 | 67% | 0.669 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.7 | -26.7 | 172.9 | -86.1 | 170.4 | -174.1 | 168.4 | 0 | 113.1 | Q1055 E1056 V1057 F1061 | Q1055-K1059 VanDerWaalsContact O-CB 3.29Å; Q1055-K1059 WeakPolarHBondContact O-CB 3.32Å; Q1055-K1059 WeakPolarHBondContact O-CD 3.31Å; Q1055-K1059 WeakPolarHBondContact O-CG 3.26Å; Q1055-K1059 PolarHBondContact O-N 3Å; Q1055-K1059 VanDerWaalsContact O-N 3.11Å; E1056-K1059 HydrophobicContact CG-CD 4.38Å; E1056-K1059 WeakPolarHBondContact O-CB 3.28Å; E1056-K1059 PolarHBondContact O-N 3.17Å; E1056-K1059 VanDerWaalsContact O-N 3.1Å; E1056-K1059 IonicContact OE1-NZ 2.83Å; V1057-K1059 VanDerWaalsContact C-N 3.32Å; V1057-K1059 PolarHBondContact O-N 3.13Å; K1059-F1061 VanDerWaalsContact C-N 3.33Å |
| 1060 | N | 47.3 | Very low | 48.2 | Very low | 129.6 Ų | 129.6 | 89.3 Ų | 89.3 | 69% | 0.693 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 7.2 | -172 | -68.7 | -23 | 0 | 0 | 0 | 114.2 | E1056 V1057 F1058 P1062 | E1056-N1060 PolarHBondContact O-N 2.85Å; E1056-N1060 PolarHBondContact O-ND2 3.3Å; V1057-N1060 PolarHBondContact O-N 2.89Å; V1057-N1060 VanDerWaalsContact O-N 3.17Å; F1058-N1060 VanDerWaalsContact C-N 3.3Å; F1058-N1060 PolarHBondContact O-N 2.97Å; N1060-P1062 VanDerWaalsContact O-CD 3.26Å; N1060-P1062 WeakPolarHBondContact O-CD 3.41Å; N1060-P1062 WeakPolarHBondContact O-CG 3.31Å |
| 1061 | F | 44.6 | Very low | 48.3 | Very low | 103.8 Ų | 103.8 | 87.8 Ų | 87.8 | 46% | 0.455 | 47% | 0.47 | S | S | . | . | trans | -70.9 | 116.4 | 180 | -113.4 | -95.9 | 0 | 0 | 0 | 112.4 | V1020 F1024 L1027 F1058 K1059 A1063 L1095 | V1020-F1061 HydrophobicContact CG1-CE1 4.04Å; V1020-F1061 HydrophobicContact CG1-CZ 3.65Å; F1024-F1061 AromaticContact CE1-CE1 3.81Å; F1024-F1061 HydrophobicContact CE1-CE1 4.06Å; F1024-F1061 AromaticContact CE1-CZ 3.62Å; F1024-F1061 HydrophobicContact CE1-CZ 4.12Å; F1024-F1061 AromaticContact CZ-CE1 3.58Å; F1024-F1061 HydrophobicContact CZ-CE1 4.06Å; F1024-F1061 AromaticContact CZ-CZ 3.59Å; F1024-F1061 HydrophobicContact CZ-CZ 4.06Å; L1027-F1061 HydrophobicContact CD2-CE2 4.26Å; L1027-F1061 HydrophobicContact CD2-CZ 4.11Å; F1058-F1061 AromaticContact CD1-CD2 3.89Å; F1058-F1061 HydrophobicContact CD1-CD2 3.97Å; F1058-F1061 AromaticContact CD1-CE2 3.96Å; F1058-F1061 HydrophobicContact CD1-CE2 3.98Å; F1058-F1061 HydrophobicContact CE1-CD2 4.42Å; F1058-F1061 HydrophobicContact CE1-CE2 4.06Å; F1058-F1061 HydrophobicContact CE1-CZ 4.36Å; F1058-F1061 PolarHBondContact O-N 3.32Å; K1059-F1061 VanDerWaalsContact C-N 3.33Å; F1061-A1063 PolarHBondContact O-N 2.71Å; F1061-L1095 HydrophobicContact CD1-CD2 4.28Å; F1061-L1095 HydrophobicContact CE1-CD2 4.13Å | ||
| 1062 | P | 35.5 | Very low | 48.4 | Very low | 87.4 Ų | 87.4 | 89.4 Ų | 89.4 | 57% | 0.568 | 48% | 0.484 | S | S | * | . | trans | -90.8 | 135.2 | -173 | 10.9 | 2.5 | 0 | 0 | 0 | 113.7 | N1060 | N1060-P1062 VanDerWaalsContact O-CD 3.26Å; N1060-P1062 WeakPolarHBondContact O-CD 3.41Å; N1060-P1062 WeakPolarHBondContact O-CG 3.31Å | ||
| 1063 | A | 40.8 | Very low | 48.3 | Very low | 78 Ų | 78 | 90.8 Ų | 90.8 | 65% | 0.645 | 49% | 0.488 | S | S | * | . | trans | 39.5 | 131.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | F1061 S1065 Q1066 | F1061-A1063 PolarHBondContact O-N 2.71Å; A1063-S1065 PolarHBondContact O-N 3.21Å; A1063-S1065 VanDerWaalsContact O-N 3.14Å; A1063-S1065 PolarHBondContact O-OG 2.84Å; A1063-Q1066 PolarHBondContact O-N 3Å | ||
| 1064 | A | 40.2 | Very low | 48.4 | Very low | 76.8 Ų | 76.8 | 88.2 Ų | 88.2 | 64% | 0.635 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -0.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | L1067 | A1064-L1067 HydrophobicContact CB-CD1 4.12Å; A1064-L1067 WeakPolarHBondContact O-CD1 3.29Å; A1064-L1067 WeakPolarHBondContact O-CG 3.4Å |
| 1065 | S | 43.6 | Very low | 48.9 | Very low | 93.6 Ų | 93.6 | 87.3 Ų | 87.3 | 66% | 0.655 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -22.1 | -175.6 | 50 | 0 | 0 | 0 | 0 | 114.3 | A1063 L1067 | A1063-S1065 PolarHBondContact O-N 3.21Å; A1063-S1065 VanDerWaalsContact O-N 3.14Å; A1063-S1065 PolarHBondContact O-OG 2.84Å; S1065-L1067 VanDerWaalsContact C-N 3.33Å; S1065-L1067 PolarHBondContact O-N 2.76Å |
| 1066 | Q | 46.3 | Very low | 49.3 | Very low | 97.6 Ų | 97.6 | 84.8 Ų | 84.8 | 46% | 0.456 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -90.2 | 5.6 | -176.3 | -64.4 | -171.6 | -7.9 | 0 | 0 | 114.4 | F1024 A1063 R1068 N1069 | F1024-Q1066 HydrophobicContact CE1-CB 4.26Å; F1024-Q1066 HydrophobicContact CE2-CB 4.49Å; F1024-Q1066 HydrophobicContact CE2-CG 4.5Å; F1024-Q1066 HydrophobicContact CZ-CB 4.04Å; F1024-Q1066 HydrophobicContact CZ-CG 4.21Å; F1024-Q1066 VanDerWaalsContact CZ-OE1 3.25Å; A1063-Q1066 PolarHBondContact O-N 3Å; Q1066-R1068 PolarHBondContact O-N 3.04Å; Q1066-N1069 WeakPolarHBondContact O-CB 3.41Å; Q1066-N1069 PolarHBondContact O-N 3.11Å; Q1066-N1069 VanDerWaalsContact O-N 3.16Å |
| 1067 | L | 47.7 | Very low | 49.7 | Very low | 49.4 Ų | 49.4 | 82.8 Ų | 82.8 | 26% | 0.259 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -61.4 | -12.5 | 179.8 | -79.4 | 161.4 | 0 | 0 | 0 | 114.9 | A1064 S1065 N1069 I1070 L1095 N1098 Y1099 | A1064-L1067 HydrophobicContact CB-CD1 4.12Å; A1064-L1067 WeakPolarHBondContact O-CD1 3.29Å; A1064-L1067 WeakPolarHBondContact O-CG 3.4Å; S1065-L1067 VanDerWaalsContact C-N 3.33Å; S1065-L1067 PolarHBondContact O-N 2.76Å; L1067-N1069 VanDerWaalsContact C-N 3.33Å; L1067-N1069 PolarHBondContact O-N 2.89Å; L1067-I1070 HydrophobicContact CB-CD1 4.17Å; L1067-I1070 HydrophobicContact CD2-CD1 4.04Å; L1067-I1070 HydrophobicContact CD2-CG1 4.45Å; L1067-I1070 HydrophobicContact CG-CD1 4.18Å; L1067-I1070 WeakPolarHBondContact O-CG1 3.35Å; L1067-I1070 PolarHBondContact O-N 2.98Å; L1067-L1095 HydrophobicContact CB-CD2 4.04Å; L1067-L1095 HydrophobicContact CD1-CD2 3.95Å; L1067-L1095 HydrophobicContact CD1-CG 4.01Å; L1067-L1095 HydrophobicContact CD2-CB 4.19Å; L1067-L1095 HydrophobicContact CD2-CD1 4.34Å; L1067-L1095 HydrophobicContact CD2-CD2 3.83Å; L1067-L1095 VanDerWaalsContact CD2-CD2 3.46Å; L1067-L1095 HydrophobicContact CD2-CG 4.18Å; L1067-L1095 WeakPolarHBondContact CD2-O 3.42Å; L1067-L1095 HydrophobicContact CG-CD2 4.16Å; L1067-N1098 HydrophobicContact CD1-CB 3.91Å; L1067-N1098 HydrophobicContact CD2-CB 3.64Å; L1067-N1098 HydrophobicContact CG-CB 4.46Å; L1067-Y1099 WeakPolarHBondContact O-CD2 3.43Å |
| 1068 | R | 47.1 | Very low | 50.4 | Low | 183 Ų | 183 | 80.5 Ų | 80.5 | 69% | 0.691 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -71.5 | -12.8 | 177.1 | -60 | -174.5 | -174.6 | -153 | 0.2 | 113.8 | Q1066 S1102 D1106 S1110 | Q1066-R1068 PolarHBondContact O-N 3.04Å; R1068-S1102 WeakPolarHBondContact CG-OG 3.4Å; R1068-S1102 PolarHBondContact NH2-O 2.79Å; R1068-D1106 IonicContact CZ-OD2 3.37Å; R1068-D1106 IonicContact NH1-OD2 3.26Å; R1068-D1106 PolarHBondContact NH1-OD2 2.96Å; R1068-D1106 IonicContact NH2-OD2 3.42Å; R1068-D1106 PolarHBondContact NH2-OD2 3.17Å; R1068-S1110 PolarHBondContact NH1-O 2.81Å |
| 1069 | N | 50.1 | Low | 51.1 | Low | 108.8 Ų | 108.8 | 79.2 Ų | 79.2 | 58% | 0.582 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -101.8 | 13.7 | -175.8 | -63.5 | 3.3 | 0 | 0 | 0 | 113.2 | F1024 Q1066 L1067 S1071 | F1024-N1069 HydrophobicContact CD1-CB 3.63Å; F1024-N1069 VanDerWaalsContact CD1-CB 3.42Å; F1024-N1069 WeakPolarHBondContact CD1-ND2 3.18Å; F1024-N1069 HydrophobicContact CE1-CB 4.04Å; F1024-N1069 HydrophobicContact CG-CB 4.3Å; F1024-N1069 WeakPolarHBondContact CG-ND2 3.42Å; Q1066-N1069 WeakPolarHBondContact O-CB 3.41Å; Q1066-N1069 PolarHBondContact O-N 3.11Å; Q1066-N1069 VanDerWaalsContact O-N 3.16Å; L1067-N1069 VanDerWaalsContact C-N 3.33Å; L1067-N1069 PolarHBondContact O-N 2.89Å; N1069-S1071 PolarHBondContact O-N 2.95Å |
| 1070 | I | 56 | Low | 51.6 | Low | 41.2 Ų | 41.2 | 79.1 Ų | 79.1 | 21% | 0.211 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -82.9 | 125.5 | 174 | -57.4 | 179.8 | 0 | 0 | 0 | 108.3 | F1024 L1067 M1074 I1075 I1078 L1095 | F1024-I1070 HydrophobicContact CD1-CG1 4.44Å; F1024-I1070 HydrophobicContact CE1-CG1 3.87Å; L1067-I1070 HydrophobicContact CB-CD1 4.17Å; L1067-I1070 HydrophobicContact CD2-CD1 4.04Å; L1067-I1070 HydrophobicContact CD2-CG1 4.45Å; L1067-I1070 HydrophobicContact CG-CD1 4.18Å; L1067-I1070 WeakPolarHBondContact O-CG1 3.35Å; L1067-I1070 PolarHBondContact O-N 2.98Å; I1070-M1074 HydrophobicContact CG2-CB 3.87Å; I1070-M1074 HydrophobicContact CG2-CG 3.97Å; I1070-M1074 HydrophobicContact CG2-SD 4Å; I1070-I1075 HydrophobicContact CB-CD1 4.36Å; I1070-I1075 HydrophobicContact CB-CG1 4.26Å; I1070-I1075 HydrophobicContact CD1-CD1 4.41Å; I1070-I1075 HydrophobicContact CG2-CD1 4.2Å; I1070-I1075 HydrophobicContact CG2-CG1 3.75Å; I1070-I1075 WeakPolarHBondContact O-CD1 3.3Å; I1070-I1078 HydrophobicContact CG2-CD1 4.3Å; I1070-L1095 HydrophobicContact CD1-CD1 3.85Å; I1070-L1095 HydrophobicContact CD1-CD2 3.64Å; I1070-L1095 HydrophobicContact CD1-CG 4.27Å |
| 1071 | S | 54.6 | Low | 52.2 | Low | 34.4 Ų | 34.4 | 75.8 Ų | 75.8 | 24% | 0.241 | 43% | 0.425 | C | S | . | . | trans | -63.3 | 142.3 | -176.8 | 70.6 | 0 | 0 | 0 | 0 | 111.6 | D1028 S1031 N1069 P1073 M1074 I1075 | D1028-S1071 WeakPolarHBondContact OD1-CB 3.4Å; D1028-S1071 PolarHBondContact OD1-OG 2.94Å; S1031-S1071 WeakPolarHBondContact CB-OG 3.47Å; S1031-S1071 PolarHBondContact OG-OG 2.9Å; S1031-S1071 VanDerWaalsContact OG-OG 3.07Å; N1069-S1071 PolarHBondContact O-N 2.95Å; S1071-P1073 VanDerWaalsContact C-CD 3.44Å; S1071-P1073 VanDerWaalsContact C-N 3.3Å; S1071-M1074 WeakPolarHBondContact O-CA 3.42Å; S1071-M1074 WeakPolarHBondContact O-CB 3.36Å; S1071-M1074 PolarHBondContact O-N 2.82Å; S1071-M1074 WeakPolarHBondContact OG-CB 3.28Å; S1071-M1074 PolarHBondContact OG-N 2.88Å; S1071-I1075 PolarHBondContact O-N 3.18Å; S1071-I1075 VanDerWaalsContact O-N 3.13Å | ||
| 1072 | P | 54.1 | Low | 52.9 | Low | 90.8 Ų | 90.8 | 71.5 Ų | 71.5 | 59% | 0.59 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -53.8 | -35.7 | 177.6 | -26.5 | 34.4 | 0 | 0 | 0 | 114.9 | M1074 I1075 N1076 | P1072-M1074 VanDerWaalsContact C-N 3.34Å; P1072-M1074 PolarHBondContact O-N 2.98Å; P1072-I1075 PolarHBondContact O-N 2.96Å; P1072-N1076 VanDerWaalsContact O-CB 3.25Å; P1072-N1076 WeakPolarHBondContact O-CB 3.34Å; P1072-N1076 PolarHBondContact O-N 2.97Å |
| 1073 | P | 54.7 | Low | 54.2 | Low | 78 Ų | 78 | 73 Ų | 73 | 51% | 0.506 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.2 | -40.1 | 170.8 | -26 | 36.5 | 0 | 0 | 0 | 113.7 | N1032 S1071 N1076 Y1077 | N1032-P1073 WeakPolarHBondContact OD1-CB 3.2Å; N1032-P1073 VanDerWaalsContact OD1-CG 3.31Å; N1032-P1073 WeakPolarHBondContact OD1-CG 3.49Å; S1071-P1073 VanDerWaalsContact C-CD 3.44Å; S1071-P1073 VanDerWaalsContact C-N 3.3Å; P1073-N1076 PolarHBondContact O-N 2.96Å; P1073-Y1077 WeakPolarHBondContact O-CB 3.43Å; P1073-Y1077 PolarHBondContact O-N 3.03Å |
| 1074 | M | 58 | Low | 55 | Low | 45.8 Ų | 45.8 | 70.4 Ų | 70.4 | 23% | 0.226 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -68.8 | -37.5 | 177.5 | -166.8 | 84 | 154.2 | 0 | 0 | 111.5 | L1034 I1070 S1071 P1072 Y1077 I1078 I1084 | L1034-M1074 HydrophobicContact CD2-CE 4.21Å; I1070-M1074 HydrophobicContact CG2-CB 3.87Å; I1070-M1074 HydrophobicContact CG2-CG 3.97Å; I1070-M1074 HydrophobicContact CG2-SD 4Å; S1071-M1074 WeakPolarHBondContact O-CA 3.42Å; S1071-M1074 WeakPolarHBondContact O-CB 3.36Å; S1071-M1074 PolarHBondContact O-N 2.82Å; S1071-M1074 WeakPolarHBondContact OG-CB 3.28Å; S1071-M1074 PolarHBondContact OG-N 2.88Å; P1072-M1074 VanDerWaalsContact C-N 3.34Å; P1072-M1074 PolarHBondContact O-N 2.98Å; M1074-Y1077 PolarHBondContact O-N 2.97Å; M1074-Y1077 HydrophobicContact SD-CD1 4.29Å; M1074-I1078 HydrophobicContact CG-CD1 4.29Å; M1074-I1078 WeakPolarHBondContact O-CB 3.46Å; M1074-I1078 VanDerWaalsContact O-CD1 3.24Å; M1074-I1078 WeakPolarHBondContact O-CD1 3.33Å; M1074-I1078 VanDerWaalsContact O-CG1 3.27Å; M1074-I1078 WeakPolarHBondContact O-CG1 3.27Å; M1074-I1078 PolarHBondContact O-N 3.21Å; M1074-I1078 VanDerWaalsContact O-N 3.1Å; M1074-I1084 HydrophobicContact CE-CB 4.41Å; M1074-I1084 HydrophobicContact CE-CD1 3.8Å; M1074-I1084 VanDerWaalsContact CE-CD1 3.42Å; M1074-I1084 HydrophobicContact CE-CG1 4.07Å; M1074-I1084 HydrophobicContact CE-CG2 3.6Å; M1074-I1084 HydrophobicContact CG-CD1 4.48Å; M1074-I1084 HydrophobicContact SD-CD1 3.6Å; M1074-I1084 VanDerWaalsContact SD-CD1 3.6Å; M1074-I1084 HydrophobicContact SD-CG1 4.14Å |
| 1075 | I | 61 | Low | 55.4 | Low | 19.6 Ų | 19.6 | 70.5 Ų | 70.5 | 10% | 0.101 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 171.7 | -61.5 | -166 | 0 | 0 | 0 | 110.6 | I1070 S1071 P1072 Y1077 I1078 L1079 Y1099 | I1070-I1075 HydrophobicContact CB-CD1 4.36Å; I1070-I1075 HydrophobicContact CB-CG1 4.26Å; I1070-I1075 HydrophobicContact CD1-CD1 4.41Å; I1070-I1075 HydrophobicContact CG2-CD1 4.2Å; I1070-I1075 HydrophobicContact CG2-CG1 3.75Å; I1070-I1075 WeakPolarHBondContact O-CD1 3.3Å; S1071-I1075 PolarHBondContact O-N 3.18Å; S1071-I1075 VanDerWaalsContact O-N 3.13Å; P1072-I1075 PolarHBondContact O-N 2.96Å; I1075-Y1077 VanDerWaalsContact C-N 3.34Å; I1075-Y1077 PolarHBondContact O-N 3.29Å; I1075-I1078 PolarHBondContact O-N 3.02Å; I1075-I1078 VanDerWaalsContact O-N 3.12Å; I1075-L1079 HydrophobicContact CG2-CD1 3.87Å; I1075-L1079 HydrophobicContact CG2-CG 4.31Å; I1075-L1079 WeakPolarHBondContact O-CB 3.34Å; I1075-L1079 VanDerWaalsContact O-CG 3.29Å; I1075-L1079 WeakPolarHBondContact O-CG 3.4Å; I1075-L1079 PolarHBondContact O-N 3.07Å; I1075-Y1099 HydrophobicContact CD1-CD1 4.16Å; I1075-Y1099 HydrophobicContact CD1-CD2 4Å; I1075-Y1099 VanDerWaalsContact CD1-CD2 3.44Å; I1075-Y1099 HydrophobicContact CD1-CE1 4.32Å; I1075-Y1099 HydrophobicContact CD1-CE2 3.89Å; I1075-Y1099 HydrophobicContact CD1-CG 4.02Å; I1075-Y1099 HydrophobicContact CG1-CD1 4.35Å; I1075-Y1099 HydrophobicContact CG1-CE1 4.4Å; I1075-Y1099 HydrophobicContact CG1-CG 4.5Å; I1075-Y1099 HydrophobicContact CG2-CD1 4.13Å; I1075-Y1099 HydrophobicContact CG2-CD2 4.49Å; I1075-Y1099 HydrophobicContact CG2-CE1 4.03Å; I1075-Y1099 HydrophobicContact CG2-CE2 3.98Å; I1075-Y1099 HydrophobicContact CG2-CG 4.28Å |
| 1076 | N | 56.1 | Low | 55.7 | Low | 50.2 Ų | 50.2 | 68.6 Ų | 68.6 | 27% | 0.268 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 177.5 | -166.1 | 2.2 | 0 | 0 | 0 | 112 | P1072 P1073 I1078 L1079 R1080 S1119 P1121 | P1072-N1076 VanDerWaalsContact O-CB 3.25Å; P1072-N1076 WeakPolarHBondContact O-CB 3.34Å; P1072-N1076 PolarHBondContact O-N 2.97Å; P1073-N1076 PolarHBondContact O-N 2.96Å; N1076-I1078 PolarHBondContact O-N 3Å; N1076-L1079 PolarHBondContact O-N 3Å; N1076-R1080 WeakPolarHBondContact O-CB 3.21Å; N1076-R1080 WeakPolarHBondContact O-CD 3.09Å; N1076-R1080 VanDerWaalsContact O-CG 3.27Å; N1076-R1080 WeakPolarHBondContact O-CG 3.37Å; N1076-R1080 PolarHBondContact O-N 3.23Å; N1076-R1080 WeakPolarHBondContact OD1-CD 3.43Å; N1076-R1080 PolarHBondContact OD1-NE 2.98Å; N1076-S1119 PolarHBondContact ND2-O 3.34Å; N1076-P1121 HydrophobicContact CB-CG 4.15Å |
| 1077 | Y | 62 | Low | 56.2 | Low | 79.4 Ų | 79.4 | 64.9 Ų | 64.9 | 31% | 0.311 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.3 | -47.8 | 172.3 | 176.5 | -101.1 | 0 | 0 | 0 | 111.9 | L1038 E1039 P1073 M1074 I1075 L1079 R1080 G1082 Q1083 I1084 | L1038-Y1077 HydrophobicContact CD1-CE1 4.33Å; E1039-Y1077 HydrophobicContact CG-CD2 4.43Å; E1039-Y1077 HydrophobicContact CG-CE2 4.02Å; P1073-Y1077 WeakPolarHBondContact O-CB 3.43Å; P1073-Y1077 PolarHBondContact O-N 3.03Å; M1074-Y1077 PolarHBondContact O-N 2.97Å; M1074-Y1077 HydrophobicContact SD-CD1 4.29Å; I1075-Y1077 VanDerWaalsContact C-N 3.34Å; I1075-Y1077 PolarHBondContact O-N 3.29Å; Y1077-L1079 VanDerWaalsContact C-N 3.35Å; Y1077-L1079 PolarHBondContact O-N 3.14Å; Y1077-R1080 PolarHBondContact O-N 3Å; Y1077-G1082 VanDerWaalsContact CE1-C 3.46Å; Y1077-G1082 VanDerWaalsContact CE1-CA 3.46Å; Y1077-G1082 WeakPolarHBondContact CE1-O 3.21Å; Y1077-G1082 VanDerWaalsContact CZ-CA 3.46Å; Y1077-G1082 WeakPolarHBondContact O-CA 3.34Å; Y1077-G1082 PolarHBondContact O-N 3.22Å; Y1077-Q1083 VanDerWaalsContact CE1-O 3.31Å; Y1077-Q1083 WeakPolarHBondContact CE1-O 3.43Å; Y1077-Q1083 PolarHBondContact OH-N 2.85Å; Y1077-Q1083 PolarHBondContact OH-O 3.04Å; Y1077-I1084 HydrophobicContact CE1-CG1 4.31Å |
| 1078 | I | 65.5 | Low | 57.1 | Low | 18.2 Ų | 18.2 | 66.1 Ų | 66.1 | 9% | 0.093 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65 | -41 | 178.2 | -63.2 | 162.9 | 0 | 0 | 0 | 111.4 | I1070 M1074 I1075 N1076 R1080 G1081 I1084 L1092 L1095 V1096 | I1070-I1078 HydrophobicContact CG2-CD1 4.3Å; M1074-I1078 HydrophobicContact CG-CD1 4.29Å; M1074-I1078 WeakPolarHBondContact O-CB 3.46Å; M1074-I1078 VanDerWaalsContact O-CD1 3.24Å; M1074-I1078 WeakPolarHBondContact O-CD1 3.33Å; M1074-I1078 VanDerWaalsContact O-CG1 3.27Å; M1074-I1078 WeakPolarHBondContact O-CG1 3.27Å; M1074-I1078 PolarHBondContact O-N 3.21Å; M1074-I1078 VanDerWaalsContact O-N 3.1Å; I1075-I1078 PolarHBondContact O-N 3.02Å; I1075-I1078 VanDerWaalsContact O-N 3.12Å; N1076-I1078 PolarHBondContact O-N 3Å; I1078-R1080 VanDerWaalsContact C-N 3.31Å; I1078-R1080 PolarHBondContact O-N 2.84Å; I1078-G1081 PolarHBondContact O-N 3.21Å; I1078-G1081 VanDerWaalsContact O-N 3.09Å; I1078-I1084 HydrophobicContact CD1-CD1 4.03Å; I1078-I1084 HydrophobicContact CD1-CG1 4.39Å; I1078-I1084 HydrophobicContact CG1-CD1 4.08Å; I1078-I1084 HydrophobicContact CG1-CG1 4Å; I1078-L1092 HydrophobicContact CB-CD2 4.45Å; I1078-L1092 HydrophobicContact CD1-CD1 3.9Å; I1078-L1092 HydrophobicContact CD1-CD2 3.99Å; I1078-L1092 HydrophobicContact CD1-CG 4.16Å; I1078-L1092 HydrophobicContact CG1-CD1 4.1Å; I1078-L1092 HydrophobicContact CG1-CD2 4.05Å; I1078-L1092 HydrophobicContact CG1-CG 4.24Å; I1078-L1092 HydrophobicContact CG2-CB 4.22Å; I1078-L1092 HydrophobicContact CG2-CD1 4.14Å; I1078-L1092 HydrophobicContact CG2-CD2 4.02Å; I1078-L1092 HydrophobicContact CG2-CG 3.79Å; I1078-L1095 HydrophobicContact CD1-CD1 4.4Å; I1078-V1096 HydrophobicContact CB-CG2 4.23Å; I1078-V1096 HydrophobicContact CG2-CG2 3.48Å; I1078-V1096 VanDerWaalsContact CG2-CG2 3.43Å |
| 1079 | L | 60.8 | Low | 57.8 | Low | 44.6 Ų | 44.6 | 61.3 Ų | 61.3 | 23% | 0.234 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.4 | -30.4 | 176.8 | -75 | 170.7 | 0 | 0 | 0 | 112.8 | I1075 N1076 Y1077 G1081 V1096 Y1099 L1120 P1121 L1124 L1135 | I1075-L1079 HydrophobicContact CG2-CD1 3.87Å; I1075-L1079 HydrophobicContact CG2-CG 4.31Å; I1075-L1079 WeakPolarHBondContact O-CB 3.34Å; I1075-L1079 VanDerWaalsContact O-CG 3.29Å; I1075-L1079 WeakPolarHBondContact O-CG 3.4Å; I1075-L1079 PolarHBondContact O-N 3.07Å; N1076-L1079 PolarHBondContact O-N 3Å; Y1077-L1079 VanDerWaalsContact C-N 3.35Å; Y1077-L1079 PolarHBondContact O-N 3.14Å; L1079-G1081 PolarHBondContact O-N 2.97Å; L1079-V1096 HydrophobicContact CD2-CG1 3.82Å; L1079-V1096 HydrophobicContact CD2-CG2 4.18Å; L1079-V1096 HydrophobicContact CG-CG1 4.42Å; L1079-Y1099 HydrophobicContact CD1-CE1 4.08Å; L1079-Y1099 HydrophobicContact CD2-CD1 4.18Å; L1079-Y1099 HydrophobicContact CD2-CE1 4.32Å; L1079-L1120 HydrophobicContact CD1-CD2 4.29Å; L1079-P1121 HydrophobicContact CB-CG 4.41Å; L1079-P1121 HydrophobicContact CD1-CG 3.9Å; L1079-L1124 HydrophobicContact CB-CD1 4.2Å; L1079-L1124 HydrophobicContact CD1-CD1 4.08Å; L1079-L1124 HydrophobicContact CD2-CD1 4.25Å; L1079-L1124 WeakPolarHBondContact O-CD1 3.46Å; L1079-L1135 HydrophobicContact CD2-CD1 3.63Å; L1079-L1135 HydrophobicContact CD2-CD2 3.48Å; L1079-L1135 VanDerWaalsContact CD2-CD2 3.48Å; L1079-L1135 HydrophobicContact CD2-CG 4.19Å |
| 1080 | R | 58.7 | Low | 58.7 | Low | 151 Ų | 151 | 59.4 Ų | 59.4 | 57% | 0.57 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 11.8 | 173.5 | -69.4 | 171.7 | -179.7 | -117.9 | -16.9 | 113.8 | N1076 Y1077 I1078 G1082 P1121 E1123 N1280 | N1076-R1080 WeakPolarHBondContact O-CB 3.21Å; N1076-R1080 WeakPolarHBondContact O-CD 3.09Å; N1076-R1080 VanDerWaalsContact O-CG 3.27Å; N1076-R1080 WeakPolarHBondContact O-CG 3.37Å; N1076-R1080 PolarHBondContact O-N 3.23Å; N1076-R1080 WeakPolarHBondContact OD1-CD 3.43Å; N1076-R1080 PolarHBondContact OD1-NE 2.98Å; Y1077-R1080 PolarHBondContact O-N 3Å; I1078-R1080 VanDerWaalsContact C-N 3.31Å; I1078-R1080 PolarHBondContact O-N 2.84Å; R1080-G1082 VanDerWaalsContact C-N 3.28Å; R1080-G1082 PolarHBondContact O-N 2.94Å; R1080-P1121 HydrophobicContact CG-CB 3.94Å; R1080-P1121 HydrophobicContact CG-CG 3.42Å; R1080-P1121 VanDerWaalsContact CG-CG 3.42Å; R1080-E1123 IonicContact CZ-OE1 3.14Å; R1080-E1123 IonicContact NE-OE1 3.43Å; R1080-E1123 IonicContact NH2-OE1 3.3Å; R1080-E1123 PolarHBondContact NH2-OE1 3.34Å; R1080-E1123 IonicContact NH2-OE2 2.66Å; R1080-N1280 PolarHBondContact NH1-ND2 2.9Å; R1080-N1280 PolarHBondContact NH1-OD1 2.95Å; R1080-N1280 VanDerWaalsContact NH1-OD1 3.07Å; R1080-N1280 PolarHBondContact NH2-ND2 3.46Å |
| 1081 | G | 58.1 | Low | 59.3 | Low | 61.2 Ų | 61.2 | 61.3 Ų | 61.3 | 63% | 0.631 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | 8.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | I1078 L1079 Q1083 | I1078-G1081 PolarHBondContact O-N 3.21Å; I1078-G1081 VanDerWaalsContact O-N 3.09Å; L1079-G1081 PolarHBondContact O-N 2.97Å; G1081-Q1083 PolarHBondContact O-N 3.07Å |
| 1082 | G | 60.2 | Low | 59.9 | Low | 12.8 Ų | 12.8 | 60.3 Ų | 60.3 | 13% | 0.132 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 125.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y1077 R1080 L1092 | Y1077-G1082 VanDerWaalsContact CE1-C 3.46Å; Y1077-G1082 VanDerWaalsContact CE1-CA 3.46Å; Y1077-G1082 WeakPolarHBondContact CE1-O 3.21Å; Y1077-G1082 VanDerWaalsContact CZ-CA 3.46Å; Y1077-G1082 WeakPolarHBondContact O-CA 3.34Å; Y1077-G1082 PolarHBondContact O-N 3.22Å; R1080-G1082 VanDerWaalsContact C-N 3.28Å; R1080-G1082 PolarHBondContact O-N 2.94Å; G1082-L1092 WeakPolarHBondContact O-CD2 3.27Å |
| 1083 | Q | 63.3 | Low | 60.5 | Low | 117.6 Ų | 117.6 | 61.6 Ų | 61.6 | 55% | 0.55 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -97.5 | 121.9 | 179.6 | -125.6 | -161.4 | -13.5 | 0 | 0 | 110.6 | Y1077 G1081 P1085 V1087 L1092 | Y1077-Q1083 VanDerWaalsContact CE1-O 3.31Å; Y1077-Q1083 WeakPolarHBondContact CE1-O 3.43Å; Y1077-Q1083 PolarHBondContact OH-N 2.85Å; Y1077-Q1083 PolarHBondContact OH-O 3.04Å; G1081-Q1083 PolarHBondContact O-N 3.07Å; Q1083-P1085 VanDerWaalsContact O-CD 3.26Å; Q1083-P1085 WeakPolarHBondContact O-CD 3.32Å; Q1083-V1087 PolarHBondContact NE2-O 3.11Å; Q1083-L1092 HydrophobicContact CB-CD2 4.39Å; Q1083-L1092 HydrophobicContact CG-CD1 4.48Å; Q1083-L1092 HydrophobicContact CG-CD2 4.21Å |
| 1084 | I | 57.1 | Low | 61.3 | Low | 24.6 Ų | 24.6 | 65.7 Ų | 65.7 | 13% | 0.126 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 118.2 | 173.2 | -52 | 172.6 | 0 | 0 | 0 | 108.6 | L1034 L1038 F1058 M1074 Y1077 I1078 G1086 V1087 L1092 | L1034-I1084 HydrophobicContact CD2-CG2 4.45Å; L1038-I1084 HydrophobicContact CD1-CG2 4.4Å; F1058-I1084 HydrophobicContact CE2-CG2 4.47Å; M1074-I1084 HydrophobicContact CE-CB 4.41Å; M1074-I1084 HydrophobicContact CE-CD1 3.8Å; M1074-I1084 VanDerWaalsContact CE-CD1 3.42Å; M1074-I1084 HydrophobicContact CE-CG1 4.07Å; M1074-I1084 HydrophobicContact CE-CG2 3.6Å; M1074-I1084 HydrophobicContact CG-CD1 4.48Å; M1074-I1084 HydrophobicContact SD-CD1 3.6Å; M1074-I1084 VanDerWaalsContact SD-CD1 3.6Å; M1074-I1084 HydrophobicContact SD-CG1 4.14Å; Y1077-I1084 HydrophobicContact CE1-CG1 4.31Å; I1078-I1084 HydrophobicContact CD1-CD1 4.03Å; I1078-I1084 HydrophobicContact CD1-CG1 4.39Å; I1078-I1084 HydrophobicContact CG1-CD1 4.08Å; I1078-I1084 HydrophobicContact CG1-CG1 4Å; I1084-G1086 PolarHBondContact O-N 2.91Å; I1084-V1087 HydrophobicContact CB-CB 4.05Å; I1084-V1087 HydrophobicContact CB-CG2 3.81Å; I1084-V1087 HydrophobicContact CD1-CG2 4.26Å; I1084-V1087 HydrophobicContact CG2-CB 4.43Å; I1084-V1087 HydrophobicContact CG2-CG2 3.67Å; I1084-V1087 WeakPolarHBondContact O-CB 3.26Å; I1084-V1087 PolarHBondContact O-N 2.97Å; I1084-V1087 VanDerWaalsContact O-N 3.08Å; I1084-L1092 HydrophobicContact CB-CD1 4.46Å; I1084-L1092 HydrophobicContact CB-CD2 4.35Å; I1084-L1092 HydrophobicContact CD1-CD1 3.83Å; I1084-L1092 HydrophobicContact CD1-CD2 3.83Å; I1084-L1092 HydrophobicContact CG1-CD1 4.1Å; I1084-L1092 HydrophobicContact CG1-CD2 4.03Å |
| 1085 | P | 47.7 | Very low | 61.7 | Low | 78.6 Ų | 78.6 | 65 Ų | 65 | 51% | 0.51 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 136.3 | 179.3 | -26.1 | 37.3 | 0 | 0 | 0 | 112.1 | L1038 L1051 Q1083 V1087 | L1038-P1085 HydrophobicContact CD1-CB 4.09Å; L1038-P1085 HydrophobicContact CD1-CG 3.5Å; L1038-P1085 HydrophobicContact CD2-CB 3.86Å; L1038-P1085 VanDerWaalsContact CD2-CD 3.49Å; L1038-P1085 HydrophobicContact CD2-CG 3.66Å; L1038-P1085 VanDerWaalsContact CD2-CG 3.45Å; L1038-P1085 HydrophobicContact CG-CG 4.15Å; L1051-P1085 HydrophobicContact CD1-CB 4.46Å; L1051-P1085 HydrophobicContact CD2-CB 4.34Å; L1051-P1085 HydrophobicContact CD2-CG 4.47Å; Q1083-P1085 VanDerWaalsContact O-CD 3.26Å; Q1083-P1085 WeakPolarHBondContact O-CD 3.32Å; P1085-V1087 VanDerWaalsContact C-N 3.33Å; P1085-V1087 PolarHBondContact O-N 3.24Å |
| 1086 | G | 50.6 | Low | 62.1 | Low | 52.8 Ų | 52.8 | 64.7 Ų | 64.7 | 54% | 0.544 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | -20.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q1055 I1084 P1088 | Q1055-G1086 WeakPolarHBondContact CG-O 3.45Å; Q1055-G1086 PolarHBondContact NE2-O 2.9Å; I1084-G1086 PolarHBondContact O-N 2.91Å; G1086-P1088 WeakPolarHBondContact O-CD 3.35Å |
| 1087 | V | 56.9 | Low | 62.8 | Low | 21.6 Ų | 21.6 | 64.8 Ų | 64.8 | 13% | 0.131 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -87.5 | 121.9 | 175.3 | -175.6 | 0 | 0 | 0 | 0 | 110 | F1058 Q1083 I1084 P1085 L1091 L1092 L1095 | F1058-V1087 HydrophobicContact CD1-CG2 4.22Å; F1058-V1087 HydrophobicContact CD2-CG2 3.54Å; F1058-V1087 HydrophobicContact CE1-CG2 4.5Å; F1058-V1087 HydrophobicContact CE2-CG2 3.71Å; F1058-V1087 HydrophobicContact CG-CG1 4.47Å; F1058-V1087 HydrophobicContact CG-CG2 4.17Å; F1058-V1087 HydrophobicContact CZ-CG2 4.37Å; Q1083-V1087 PolarHBondContact NE2-O 3.11Å; I1084-V1087 HydrophobicContact CB-CB 4.05Å; I1084-V1087 HydrophobicContact CB-CG2 3.81Å; I1084-V1087 HydrophobicContact CD1-CG2 4.26Å; I1084-V1087 HydrophobicContact CG2-CB 4.43Å; I1084-V1087 HydrophobicContact CG2-CG2 3.67Å; I1084-V1087 WeakPolarHBondContact O-CB 3.26Å; I1084-V1087 PolarHBondContact O-N 2.97Å; I1084-V1087 VanDerWaalsContact O-N 3.08Å; P1085-V1087 VanDerWaalsContact C-N 3.33Å; P1085-V1087 PolarHBondContact O-N 3.24Å; V1087-L1091 HydrophobicContact CG1-CB 4.17Å; V1087-L1091 HydrophobicContact CG1-CD2 4Å; V1087-L1091 HydrophobicContact CG1-CG 4.38Å; V1087-L1092 HydrophobicContact CB-CD1 4.38Å; V1087-L1092 HydrophobicContact CB-CD2 4.26Å; V1087-L1092 HydrophobicContact CB-CG 4.34Å; V1087-L1092 HydrophobicContact CG1-CB 4.18Å; V1087-L1092 HydrophobicContact CG1-CD1 4.12Å; V1087-L1092 HydrophobicContact CG1-CD2 3.76Å; V1087-L1092 HydrophobicContact CG1-CG 3.89Å; V1087-L1095 HydrophobicContact CG1-CD1 4.23Å |
| 1088 | P | 65.8 | Low | 63.1 | Low | 73.4 Ų | 73.4 | 64.9 Ų | 64.9 | 48% | 0.477 | 37% | 0.365 | S | S | . | . | trans | -60.6 | 137.3 | 178.2 | -24.7 | 34.7 | 0 | 0 | 0 | 111.8 | G1086 A1090 L1091 L1092 | G1086-P1088 WeakPolarHBondContact O-CD 3.35Å; P1088-A1090 PolarHBondContact O-N 2.79Å; P1088-A1090 VanDerWaalsContact O-N 3.09Å; P1088-L1091 HydrophobicContact CB-CB 4.35Å; P1088-L1091 WeakPolarHBondContact O-CA 3.41Å; P1088-L1091 WeakPolarHBondContact O-CB 3.28Å; P1088-L1091 PolarHBondContact O-N 3.05Å; P1088-L1092 PolarHBondContact O-N 3.15Å | ||
| 1089 | P | 63.4 | Low | 63.3 | Low | 81.8 Ų | 81.8 | 66.6 Ų | 66.6 | 53% | 0.531 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -55.7 | -30.5 | 178.5 | -20.2 | 24.2 | 0 | 0 | 0 | 113.9 | L1091 L1092 K1093 | P1089-L1091 VanDerWaalsContact C-N 3.31Å; P1089-L1091 PolarHBondContact O-N 3.11Å; P1089-L1092 WeakPolarHBondContact O-CB 3.4Å; P1089-L1092 PolarHBondContact O-N 3.15Å; P1089-K1093 WeakPolarHBondContact O-CB 3.35Å; P1089-K1093 PolarHBondContact O-N 2.86Å |
| 1090 | A | 68.9 | Low | 63.8 | Low | 70.4 Ų | 70.4 | 64.7 Ų | 64.7 | 58% | 0.582 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -67.5 | -28.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113.8 | P1088 R1094 | P1088-A1090 PolarHBondContact O-N 2.79Å; P1088-A1090 VanDerWaalsContact O-N 3.09Å; A1090-R1094 VanDerWaalsContact O-CG 3.29Å; A1090-R1094 WeakPolarHBondContact O-CG 3.19Å; A1090-R1094 PolarHBondContact O-N 2.76Å |
| 1091 | L | 67.7 | Low | 64.5 | Low | 80.8 Ų | 80.8 | 61.8 Ų | 61.8 | 42% | 0.423 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -76.9 | -44.3 | 172.8 | -168.2 | 72.2 | 0 | 0 | 0 | 110.3 | F1058 V1087 P1088 P1089 K1093 R1094 L1095 | F1058-L1091 HydrophobicContact CB-CD2 3.69Å; F1058-L1091 HydrophobicContact CD1-CD2 4.09Å; F1058-L1091 HydrophobicContact CG-CD2 4.24Å; F1058-L1091 WeakPolarHBondContact O-CD2 3.39Å; V1087-L1091 HydrophobicContact CG1-CB 4.17Å; V1087-L1091 HydrophobicContact CG1-CD2 4Å; V1087-L1091 HydrophobicContact CG1-CG 4.38Å; P1088-L1091 HydrophobicContact CB-CB 4.35Å; P1088-L1091 WeakPolarHBondContact O-CA 3.41Å; P1088-L1091 WeakPolarHBondContact O-CB 3.28Å; P1088-L1091 PolarHBondContact O-N 3.05Å; P1089-L1091 VanDerWaalsContact C-N 3.31Å; P1089-L1091 PolarHBondContact O-N 3.11Å; L1091-K1093 VanDerWaalsContact C-N 3.31Å; L1091-K1093 PolarHBondContact O-N 2.94Å; L1091-R1094 CarbonylContact O-C 3.07Å; L1091-R1094 WeakPolarHBondContact O-CB 3.45Å; L1091-R1094 PolarHBondContact O-N 3.04Å; L1091-R1094 VanDerWaalsContact O-N 3.12Å; L1091-L1095 HydrophobicContact CD1-CD2 4.24Å; L1091-L1095 HydrophobicContact CD2-CD1 4.36Å; L1091-L1095 HydrophobicContact CG-CD1 4.36Å; L1091-L1095 HydrophobicContact CG-CD2 4.46Å; L1091-L1095 WeakPolarHBondContact O-CB 3.2Å; L1091-L1095 VanDerWaalsContact O-CG 3.32Å; L1091-L1095 WeakPolarHBondContact O-CG 3.36Å; L1091-L1095 PolarHBondContact O-N 3.19Å; L1091-L1095 VanDerWaalsContact O-N 3.13Å |
| 1092 | L | 67.1 | Low | 65 | Low | 12.8 Ų | 12.8 | 61 Ų | 61 | 7% | 0.067 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.5 | -44.8 | 175.6 | -122.1 | 104.5 | 0 | 0 | 0 | 111.8 | I1078 G1082 Q1083 I1084 V1087 P1088 P1089 R1094 L1095 V1096 | I1078-L1092 HydrophobicContact CB-CD2 4.45Å; I1078-L1092 HydrophobicContact CD1-CD1 3.9Å; I1078-L1092 HydrophobicContact CD1-CD2 3.99Å; I1078-L1092 HydrophobicContact CD1-CG 4.16Å; I1078-L1092 HydrophobicContact CG1-CD1 4.1Å; I1078-L1092 HydrophobicContact CG1-CD2 4.05Å; I1078-L1092 HydrophobicContact CG1-CG 4.24Å; I1078-L1092 HydrophobicContact CG2-CB 4.22Å; I1078-L1092 HydrophobicContact CG2-CD1 4.14Å; I1078-L1092 HydrophobicContact CG2-CD2 4.02Å; I1078-L1092 HydrophobicContact CG2-CG 3.79Å; G1082-L1092 WeakPolarHBondContact O-CD2 3.27Å; Q1083-L1092 HydrophobicContact CB-CD2 4.39Å; Q1083-L1092 HydrophobicContact CG-CD1 4.48Å; Q1083-L1092 HydrophobicContact CG-CD2 4.21Å; I1084-L1092 HydrophobicContact CB-CD1 4.46Å; I1084-L1092 HydrophobicContact CB-CD2 4.35Å; I1084-L1092 HydrophobicContact CD1-CD1 3.83Å; I1084-L1092 HydrophobicContact CD1-CD2 3.83Å; I1084-L1092 HydrophobicContact CG1-CD1 4.1Å; I1084-L1092 HydrophobicContact CG1-CD2 4.03Å; V1087-L1092 HydrophobicContact CB-CD1 4.38Å; V1087-L1092 HydrophobicContact CB-CD2 4.26Å; V1087-L1092 HydrophobicContact CB-CG 4.34Å; V1087-L1092 HydrophobicContact CG1-CB 4.18Å; V1087-L1092 HydrophobicContact CG1-CD1 4.12Å; V1087-L1092 HydrophobicContact CG1-CD2 3.76Å; V1087-L1092 HydrophobicContact CG1-CG 3.89Å; P1088-L1092 PolarHBondContact O-N 3.15Å; P1089-L1092 WeakPolarHBondContact O-CB 3.4Å; P1089-L1092 PolarHBondContact O-N 3.15Å; L1092-R1094 VanDerWaalsContact C-N 3.34Å; L1092-R1094 PolarHBondContact O-N 3.16Å; L1092-L1095 HydrophobicContact CD1-CD1 4.43Å; L1092-L1095 HydrophobicContact CD2-CD1 4.46Å; L1092-L1095 WeakPolarHBondContact O-CB 3.22Å; L1092-L1095 PolarHBondContact O-N 2.91Å; L1092-L1095 VanDerWaalsContact O-N 3.08Å; L1092-V1096 WeakPolarHBondContact O-CG2 3.43Å; L1092-V1096 PolarHBondContact O-N 3.02Å; L1092-V1096 VanDerWaalsContact O-N 3.1Å |
| 1093 | K | 67.8 | Low | 65.4 | Low | 117.8 Ų | 117.8 | 61.3 Ų | 61.3 | 51% | 0.512 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 174.7 | -171.9 | 174 | -177.1 | -147.7 | 0 | 112.2 | P1089 L1091 L1095 V1096 E1097 | P1089-K1093 WeakPolarHBondContact O-CB 3.35Å; P1089-K1093 PolarHBondContact O-N 2.86Å; L1091-K1093 VanDerWaalsContact C-N 3.31Å; L1091-K1093 PolarHBondContact O-N 2.94Å; K1093-L1095 VanDerWaalsContact C-N 3.31Å; K1093-L1095 PolarHBondContact O-N 2.95Å; K1093-V1096 PolarHBondContact O-N 3.12Å; K1093-V1096 VanDerWaalsContact O-N 3.16Å; K1093-E1097 WeakPolarHBondContact CE-OE1 3.4Å; K1093-E1097 HydrophobicContact CG-CG 4.38Å; K1093-E1097 WeakPolarHBondContact CG-OE1 3.39Å; K1093-E1097 IonicContact NZ-OE1 3.47Å; K1093-E1097 PolarHBondContact NZ-OE1 2.99Å; K1093-E1097 WeakPolarHBondContact O-CB 3.37Å; K1093-E1097 VanDerWaalsContact O-CG 3.28Å; K1093-E1097 WeakPolarHBondContact O-CG 3.38Å; K1093-E1097 PolarHBondContact O-N 3.05Å |
| 1094 | R | 70.2 | Confident | 65.8 | Low | 164.4 Ų | 164.4 | 56.4 Ų | 56.4 | 62% | 0.62 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63 | -32.1 | 175.1 | -77.6 | 176.6 | 172.2 | -176.3 | -1.3 | 113.1 | A1090 L1091 L1092 N1098 | A1090-R1094 VanDerWaalsContact O-CG 3.29Å; A1090-R1094 WeakPolarHBondContact O-CG 3.19Å; A1090-R1094 PolarHBondContact O-N 2.76Å; L1091-R1094 CarbonylContact O-C 3.07Å; L1091-R1094 WeakPolarHBondContact O-CB 3.45Å; L1091-R1094 PolarHBondContact O-N 3.04Å; L1091-R1094 VanDerWaalsContact O-N 3.12Å; L1092-R1094 VanDerWaalsContact C-N 3.34Å; L1092-R1094 PolarHBondContact O-N 3.16Å; R1094-N1098 VanDerWaalsContact O-CB 3.26Å; R1094-N1098 WeakPolarHBondContact O-CB 3.32Å; R1094-N1098 VanDerWaalsContact O-CG 3.23Å; R1094-N1098 PolarHBondContact O-N 2.77Å; R1094-N1098 VanDerWaalsContact O-N 3.1Å; R1094-N1098 PolarHBondContact O-ND2 2.79Å; R1094-N1098 VanDerWaalsContact O-ND2 3.14Å |
| 1095 | L | 67.6 | Low | 66.1 | Low | 31.2 Ų | 31.2 | 58.7 Ų | 58.7 | 16% | 0.163 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.8 | -47.1 | 175.2 | -81 | 169.5 | 0 | 0 | 0 | 110.9 | F1058 F1061 L1067 I1070 I1078 V1087 L1091 L1092 K1093 N1098 Y1099 | F1058-L1095 HydrophobicContact CD1-CD1 4.46Å; F1058-L1095 HydrophobicContact CE1-CD1 4.38Å; F1061-L1095 HydrophobicContact CD1-CD2 4.28Å; F1061-L1095 HydrophobicContact CE1-CD2 4.13Å; L1067-L1095 HydrophobicContact CB-CD2 4.04Å; L1067-L1095 HydrophobicContact CD1-CD2 3.95Å; L1067-L1095 HydrophobicContact CD1-CG 4.01Å; L1067-L1095 HydrophobicContact CD2-CB 4.19Å; L1067-L1095 HydrophobicContact CD2-CD1 4.34Å; L1067-L1095 HydrophobicContact CD2-CD2 3.83Å; L1067-L1095 VanDerWaalsContact CD2-CD2 3.46Å; L1067-L1095 HydrophobicContact CD2-CG 4.18Å; L1067-L1095 WeakPolarHBondContact CD2-O 3.42Å; L1067-L1095 HydrophobicContact CG-CD2 4.16Å; I1070-L1095 HydrophobicContact CD1-CD1 3.85Å; I1070-L1095 HydrophobicContact CD1-CD2 3.64Å; I1070-L1095 HydrophobicContact CD1-CG 4.27Å; I1078-L1095 HydrophobicContact CD1-CD1 4.4Å; V1087-L1095 HydrophobicContact CG1-CD1 4.23Å; L1091-L1095 HydrophobicContact CD1-CD2 4.24Å; L1091-L1095 HydrophobicContact CD2-CD1 4.36Å; L1091-L1095 HydrophobicContact CG-CD1 4.36Å; L1091-L1095 HydrophobicContact CG-CD2 4.46Å; L1091-L1095 WeakPolarHBondContact O-CB 3.2Å; L1091-L1095 VanDerWaalsContact O-CG 3.32Å; L1091-L1095 WeakPolarHBondContact O-CG 3.36Å; L1091-L1095 PolarHBondContact O-N 3.19Å; L1091-L1095 VanDerWaalsContact O-N 3.13Å; L1092-L1095 HydrophobicContact CD1-CD1 4.43Å; L1092-L1095 HydrophobicContact CD2-CD1 4.46Å; L1092-L1095 WeakPolarHBondContact O-CB 3.22Å; L1092-L1095 PolarHBondContact O-N 2.91Å; L1092-L1095 VanDerWaalsContact O-N 3.08Å; K1093-L1095 VanDerWaalsContact C-N 3.31Å; K1093-L1095 PolarHBondContact O-N 2.95Å; L1095-N1098 PolarHBondContact O-N 3.4Å; L1095-Y1099 VanDerWaalsContact O-CB 3.27Å; L1095-Y1099 WeakPolarHBondContact O-CB 3.41Å; L1095-Y1099 PolarHBondContact O-N 3.13Å; L1095-Y1099 VanDerWaalsContact O-N 3.13Å |
| 1096 | V | 68.5 | Low | 66.4 | Low | 12.6 Ų | 12.6 | 59.8 Ų | 59.8 | 8% | 0.076 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.3 | -48 | 175.2 | 177.5 | 0 | 0 | 0 | 0 | 111.4 | I1078 L1079 L1092 K1093 N1098 Y1099 A1100 L1135 | I1078-V1096 HydrophobicContact CB-CG2 4.23Å; I1078-V1096 HydrophobicContact CG2-CG2 3.48Å; I1078-V1096 VanDerWaalsContact CG2-CG2 3.43Å; L1079-V1096 HydrophobicContact CD2-CG1 3.82Å; L1079-V1096 HydrophobicContact CD2-CG2 4.18Å; L1079-V1096 HydrophobicContact CG-CG1 4.42Å; L1092-V1096 WeakPolarHBondContact O-CG2 3.43Å; L1092-V1096 PolarHBondContact O-N 3.02Å; L1092-V1096 VanDerWaalsContact O-N 3.1Å; K1093-V1096 PolarHBondContact O-N 3.12Å; K1093-V1096 VanDerWaalsContact O-N 3.16Å; V1096-N1098 VanDerWaalsContact C-N 3.29Å; V1096-N1098 PolarHBondContact O-N 3.23Å; V1096-Y1099 PolarHBondContact O-N 3.07Å; V1096-Y1099 VanDerWaalsContact O-N 3.11Å; V1096-A1100 VanDerWaalsContact O-CB 3.27Å; V1096-A1100 WeakPolarHBondContact O-CB 3.35Å; V1096-A1100 PolarHBondContact O-N 3.01Å; V1096-L1135 HydrophobicContact CB-CD2 4.32Å; V1096-L1135 HydrophobicContact CG1-CB 4.11Å; V1096-L1135 HydrophobicContact CG1-CD2 4.11Å; V1096-L1135 HydrophobicContact CG1-CG 4.41Å; V1096-L1135 WeakPolarHBondContact CG1-O 3.04Å |
| 1097 | E | 71.4 | Confident | 66.3 | Low | 52.8 Ų | 52.8 | 66 Ų | 66 | 25% | 0.247 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.6 | -42 | 178.6 | -72.9 | 170.5 | 175.6 | 0 | 0 | 112.3 | K1093 K1101 | K1093-E1097 WeakPolarHBondContact CE-OE1 3.4Å; K1093-E1097 HydrophobicContact CG-CG 4.38Å; K1093-E1097 WeakPolarHBondContact CG-OE1 3.39Å; K1093-E1097 IonicContact NZ-OE1 3.47Å; K1093-E1097 PolarHBondContact NZ-OE1 2.99Å; K1093-E1097 WeakPolarHBondContact O-CB 3.37Å; K1093-E1097 VanDerWaalsContact O-CG 3.28Å; K1093-E1097 WeakPolarHBondContact O-CG 3.38Å; K1093-E1097 PolarHBondContact O-N 3.05Å; E1097-K1101 VanDerWaalsContact O-CB 3.27Å; E1097-K1101 WeakPolarHBondContact O-CB 3.39Å; E1097-K1101 WeakPolarHBondContact O-CD 3.48Å; E1097-K1101 VanDerWaalsContact O-CG 3.26Å; E1097-K1101 WeakPolarHBondContact O-CG 3.23Å; E1097-K1101 PolarHBondContact O-N 3.05Å; E1097-K1101 VanDerWaalsContact O-N 3.08Å |
| 1098 | N | 68.5 | Low | 65.5 | Low | 81.6 Ų | 81.6 | 72.9 Ų | 72.9 | 44% | 0.436 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -71.2 | -37.5 | 177.6 | -73.7 | -25.2 | 0 | 0 | 0 | 112.5 | L1067 R1094 L1095 V1096 S1102 | L1067-N1098 HydrophobicContact CD1-CB 3.91Å; L1067-N1098 HydrophobicContact CD2-CB 3.64Å; L1067-N1098 HydrophobicContact CG-CB 4.46Å; R1094-N1098 VanDerWaalsContact O-CB 3.26Å; R1094-N1098 WeakPolarHBondContact O-CB 3.32Å; R1094-N1098 VanDerWaalsContact O-CG 3.23Å; R1094-N1098 PolarHBondContact O-N 2.77Å; R1094-N1098 VanDerWaalsContact O-N 3.1Å; R1094-N1098 PolarHBondContact O-ND2 2.79Å; R1094-N1098 VanDerWaalsContact O-ND2 3.14Å; L1095-N1098 PolarHBondContact O-N 3.4Å; V1096-N1098 VanDerWaalsContact C-N 3.29Å; V1096-N1098 PolarHBondContact O-N 3.23Å; N1098-S1102 WeakPolarHBondContact O-CB 3.44Å; N1098-S1102 PolarHBondContact O-N 3.24Å; N1098-S1102 VanDerWaalsContact O-N 3.16Å |
| 1099 | Y | 69.8 | Low | 64.2 | Low | 54.8 Ų | 54.8 | 74.3 Ų | 74.3 | 22% | 0.215 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.3 | -48.9 | 175.2 | 178.1 | -102.9 | 0 | 0 | 0 | 111.2 | L1067 I1075 L1079 L1095 V1096 K1101 S1102 L1103 M1112 | L1067-Y1099 WeakPolarHBondContact O-CD2 3.43Å; I1075-Y1099 HydrophobicContact CD1-CD1 4.16Å; I1075-Y1099 HydrophobicContact CD1-CD2 4Å; I1075-Y1099 VanDerWaalsContact CD1-CD2 3.44Å; I1075-Y1099 HydrophobicContact CD1-CE1 4.32Å; I1075-Y1099 HydrophobicContact CD1-CE2 3.89Å; I1075-Y1099 HydrophobicContact CD1-CG 4.02Å; I1075-Y1099 HydrophobicContact CG1-CD1 4.35Å; I1075-Y1099 HydrophobicContact CG1-CE1 4.4Å; I1075-Y1099 HydrophobicContact CG1-CG 4.5Å; I1075-Y1099 HydrophobicContact CG2-CD1 4.13Å; I1075-Y1099 HydrophobicContact CG2-CD2 4.49Å; I1075-Y1099 HydrophobicContact CG2-CE1 4.03Å; I1075-Y1099 HydrophobicContact CG2-CE2 3.98Å; I1075-Y1099 HydrophobicContact CG2-CG 4.28Å; L1079-Y1099 HydrophobicContact CD1-CE1 4.08Å; L1079-Y1099 HydrophobicContact CD2-CD1 4.18Å; L1079-Y1099 HydrophobicContact CD2-CE1 4.32Å; L1095-Y1099 VanDerWaalsContact O-CB 3.27Å; L1095-Y1099 WeakPolarHBondContact O-CB 3.41Å; L1095-Y1099 PolarHBondContact O-N 3.13Å; L1095-Y1099 VanDerWaalsContact O-N 3.13Å; V1096-Y1099 PolarHBondContact O-N 3.07Å; V1096-Y1099 VanDerWaalsContact O-N 3.11Å; Y1099-K1101 VanDerWaalsContact C-N 3.32Å; Y1099-K1101 PolarHBondContact O-N 2.98Å; Y1099-S1102 WeakPolarHBondContact O-CA 3.39Å; Y1099-S1102 VanDerWaalsContact O-CB 3.3Å; Y1099-S1102 WeakPolarHBondContact O-CB 3.35Å; Y1099-S1102 PolarHBondContact O-N 3.11Å; Y1099-S1102 VanDerWaalsContact O-N 3.14Å; Y1099-S1102 PolarHBondContact O-OG 2.96Å; Y1099-L1103 HydrophobicContact CD1-CD1 4.41Å; Y1099-L1103 HydrophobicContact CE1-CD1 4.18Å; Y1099-L1103 HydrophobicContact CE1-CD2 4.44Å; Y1099-L1103 HydrophobicContact CE1-CG 4.19Å; Y1099-L1103 PolarHBondContact O-N 2.88Å; Y1099-M1112 HydrophobicContact CE2-CE 4.14Å; Y1099-M1112 HydrophobicContact CE2-SD 4.39Å |
| 1100 | A | 69.8 | Low | 62.9 | Low | 5 Ų | 5 | 75.9 Ų | 75.9 | 4% | 0.041 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -58.2 | -47 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1096 S1102 L1103 V1104 V1134 L1135 L1137 | V1096-A1100 VanDerWaalsContact O-CB 3.27Å; V1096-A1100 WeakPolarHBondContact O-CB 3.35Å; V1096-A1100 PolarHBondContact O-N 3.01Å; A1100-S1102 VanDerWaalsContact C-N 3.26Å; A1100-S1102 PolarHBondContact O-N 3.08Å; A1100-L1103 WeakPolarHBondContact O-CB 3.36Å; A1100-L1103 PolarHBondContact O-N 3.13Å; A1100-L1103 VanDerWaalsContact O-N 3.11Å; A1100-V1104 PolarHBondContact O-N 3.13Å; A1100-V1134 HydrophobicContact CB-CG1 4.42Å; A1100-L1135 HydrophobicContact CB-CB 3.76Å; A1100-L1135 WeakPolarHBondContact CB-O 3.34Å; A1100-L1137 HydrophobicContact CB-CD2 4.04Å; A1100-L1137 HydrophobicContact CB-CG 4.02Å; A1100-L1137 WeakPolarHBondContact O-CD2 3.21Å |
| 1101 | K | 73.2 | Confident | 61.4 | Low | 89 Ų | 89 | 76.2 Ų | 76.2 | 39% | 0.387 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.8 | -29.1 | 176.2 | -73 | 175.3 | -176.9 | -162.7 | 0 | 113.5 | E1097 Y1099 L1103 V1104 S1105 G1136 L1137 E1141 | E1097-K1101 VanDerWaalsContact O-CB 3.27Å; E1097-K1101 WeakPolarHBondContact O-CB 3.39Å; E1097-K1101 WeakPolarHBondContact O-CD 3.48Å; E1097-K1101 VanDerWaalsContact O-CG 3.26Å; E1097-K1101 WeakPolarHBondContact O-CG 3.23Å; E1097-K1101 PolarHBondContact O-N 3.05Å; E1097-K1101 VanDerWaalsContact O-N 3.08Å; Y1099-K1101 VanDerWaalsContact C-N 3.32Å; Y1099-K1101 PolarHBondContact O-N 2.98Å; K1101-L1103 VanDerWaalsContact C-N 3.3Å; K1101-L1103 PolarHBondContact O-N 3.03Å; K1101-V1104 PolarHBondContact O-N 2.96Å; K1101-V1104 VanDerWaalsContact O-N 3.14Å; K1101-S1105 WeakPolarHBondContact O-CB 3.41Å; K1101-S1105 PolarHBondContact O-N 3.13Å; K1101-S1105 PolarHBondContact O-OG 3.25Å; K1101-S1105 VanDerWaalsContact O-OG 3.12Å; K1101-G1136 WeakPolarHBondContact CE-O 3.37Å; K1101-G1136 WeakPolarHBondContact CG-O 3.3Å; K1101-L1137 HydrophobicContact CB-CD2 4.37Å; K1101-L1137 HydrophobicContact CG-CD2 3.94Å; K1101-E1141 WeakPolarHBondContact CD-OE1 3.33Å; K1101-E1141 WeakPolarHBondContact CE-OE1 3.41Å; K1101-E1141 VanDerWaalsContact NZ-CD 3.25Å; K1101-E1141 IonicContact NZ-OE1 3.1Å; K1101-E1141 PolarHBondContact NZ-OE1 2.99Å; K1101-E1141 VanDerWaalsContact NZ-OE1 3.12Å; K1101-E1141 IonicContact NZ-OE2 2.71Å; K1101-E1141 PolarHBondContact NZ-OE2 2.92Å |
| 1102 | S | 70 | Confident | 60.2 | Low | 45 Ų | 45 | 79.7 Ų | 79.7 | 32% | 0.315 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65 | -32.7 | 175.4 | 82 | 0 | 0 | 0 | 0 | 112.9 | R1068 N1098 Y1099 A1100 V1104 S1105 | R1068-S1102 WeakPolarHBondContact CG-OG 3.4Å; R1068-S1102 PolarHBondContact NH2-O 2.79Å; N1098-S1102 WeakPolarHBondContact O-CB 3.44Å; N1098-S1102 PolarHBondContact O-N 3.24Å; N1098-S1102 VanDerWaalsContact O-N 3.16Å; Y1099-S1102 WeakPolarHBondContact O-CA 3.39Å; Y1099-S1102 VanDerWaalsContact O-CB 3.3Å; Y1099-S1102 WeakPolarHBondContact O-CB 3.35Å; Y1099-S1102 PolarHBondContact O-N 3.11Å; Y1099-S1102 VanDerWaalsContact O-N 3.14Å; Y1099-S1102 PolarHBondContact O-OG 2.96Å; A1100-S1102 VanDerWaalsContact C-N 3.26Å; A1100-S1102 PolarHBondContact O-N 3.08Å; S1102-V1104 VanDerWaalsContact C-N 3.27Å; S1102-V1104 PolarHBondContact O-N 3.17Å; S1102-S1105 WeakPolarHBondContact CA-OG 3.4Å; S1102-S1105 PolarHBondContact O-N 3.05Å; S1102-S1105 PolarHBondContact O-OG 2.94Å; S1102-S1105 VanDerWaalsContact O-OG 3.08Å |
| 1103 | L | 68.1 | Low | 59.5 | Low | 19.6 Ų | 19.6 | 88.3 Ų | 88.3 | 10% | 0.103 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -68.6 | -24 | 177.8 | -58.4 | 175.1 | 0 | 0 | 0 | 113.1 | Y1099 A1100 K1101 P1115 L1120 L1145 R1148 | Y1099-L1103 HydrophobicContact CD1-CD1 4.41Å; Y1099-L1103 HydrophobicContact CE1-CD1 4.18Å; Y1099-L1103 HydrophobicContact CE1-CD2 4.44Å; Y1099-L1103 HydrophobicContact CE1-CG 4.19Å; Y1099-L1103 PolarHBondContact O-N 2.88Å; A1100-L1103 WeakPolarHBondContact O-CB 3.36Å; A1100-L1103 PolarHBondContact O-N 3.13Å; A1100-L1103 VanDerWaalsContact O-N 3.11Å; K1101-L1103 VanDerWaalsContact C-N 3.3Å; K1101-L1103 PolarHBondContact O-N 3.03Å; L1103-P1115 HydrophobicContact CD2-CG 4.06Å; L1103-L1120 HydrophobicContact CD1-CD2 4.49Å; L1103-L1145 HydrophobicContact CB-CD1 3.99Å; L1103-L1145 HydrophobicContact CB-CD2 4.39Å; L1103-L1145 HydrophobicContact CD1-CD2 4.24Å; L1103-R1148 PolarHBondContact O-NH1 3.06Å; L1103-R1148 VanDerWaalsContact O-NH1 3.09Å |
| 1104 | V | 72 | Confident | 59.2 | Low | 14.8 Ų | 14.8 | 84.4 Ų | 84.4 | 9% | 0.09 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -94.5 | -29.6 | -179.5 | -176.8 | 0 | 0 | 0 | 0 | 111.9 | A1100 K1101 S1102 D1106 L1137 E1141 I1144 L1145 R1148 | A1100-V1104 PolarHBondContact O-N 3.13Å; K1101-V1104 PolarHBondContact O-N 2.96Å; K1101-V1104 VanDerWaalsContact O-N 3.14Å; S1102-V1104 VanDerWaalsContact C-N 3.27Å; S1102-V1104 PolarHBondContact O-N 3.17Å; V1104-D1106 VanDerWaalsContact C-N 3.3Å; V1104-D1106 PolarHBondContact O-N 2.97Å; V1104-L1137 HydrophobicContact CB-CD2 4.39Å; V1104-L1137 HydrophobicContact CG2-CD1 3.63Å; V1104-L1137 HydrophobicContact CG2-CD2 3.75Å; V1104-L1137 HydrophobicContact CG2-CG 4.35Å; V1104-E1141 HydrophobicContact CB-CB 4.37Å; V1104-E1141 HydrophobicContact CG1-CB 4.04Å; V1104-E1141 HydrophobicContact CG1-CG 4.12Å; V1104-E1141 HydrophobicContact CG2-CB 4.25Å; V1104-E1141 VanDerWaalsContact CG2-O 3.31Å; V1104-E1141 WeakPolarHBondContact CG2-O 3.14Å; V1104-I1144 HydrophobicContact CG1-CB 4.14Å; V1104-I1144 HydrophobicContact CG1-CD1 4.16Å; V1104-I1144 HydrophobicContact CG1-CG2 3.9Å; V1104-L1145 HydrophobicContact CG2-CB 4.25Å; V1104-L1145 HydrophobicContact CG2-CD1 4.5Å; V1104-R1148 PolarHBondContact O-NH1 2.8Å |
| 1105 | S | 62.1 | Low | 58.7 | Low | 71.4 Ų | 71.4 | 77.9 Ų | 77.9 | 50% | 0.499 | 43% | 0.429 | S | S | . | . | trans | -68.5 | 111.1 | -174.8 | 84.6 | 0 | 0 | 0 | 0 | 113.9 | K1101 S1102 K1107 R1148 | K1101-S1105 WeakPolarHBondContact O-CB 3.41Å; K1101-S1105 PolarHBondContact O-N 3.13Å; K1101-S1105 PolarHBondContact O-OG 3.25Å; K1101-S1105 VanDerWaalsContact O-OG 3.12Å; S1102-S1105 WeakPolarHBondContact CA-OG 3.4Å; S1102-S1105 PolarHBondContact O-N 3.05Å; S1102-S1105 PolarHBondContact O-OG 2.94Å; S1102-S1105 VanDerWaalsContact O-OG 3.08Å; S1105-K1107 PolarHBondContact O-N 2.83Å; S1105-R1148 PolarHBondContact O-NH1 3.03Å; S1105-R1148 VanDerWaalsContact O-NH1 3.07Å; S1105-R1148 PolarHBondContact O-NH2 2.95Å | ||
| 1106 | D | 54.7 | Low | 58.3 | Low | 101.4 Ų | 101.4 | 80.2 Ų | 80.2 | 54% | 0.542 | 45% | 0.445 | S | S | . | . | trans | -109.2 | 55.9 | -179.4 | -137.3 | 4.4 | 0 | 0 | 0 | 112.5 | R1068 V1104 N1108 T1109 R1148 | R1068-D1106 IonicContact CZ-OD2 3.37Å; R1068-D1106 IonicContact NH1-OD2 3.26Å; R1068-D1106 PolarHBondContact NH1-OD2 2.96Å; R1068-D1106 IonicContact NH2-OD2 3.42Å; R1068-D1106 PolarHBondContact NH2-OD2 3.17Å; V1104-D1106 VanDerWaalsContact C-N 3.3Å; V1104-D1106 PolarHBondContact O-N 2.97Å; D1106-N1108 PolarHBondContact OD1-N 2.99Å; D1106-T1109 PolarHBondContact OD1-N 2.9Å; D1106-T1109 VanDerWaalsContact OD1-N 3.17Å; D1106-T1109 PolarHBondContact OD1-OG1 3.25Å; D1106-T1109 PolarHBondContact OD2-OG1 3.17Å; D1106-R1148 PolarHBondContact O-NH1 2.93Å; D1106-R1148 PolarHBondContact O-NH2 3.36Å; D1106-R1148 IonicContact OD1-CZ 3.03Å; D1106-R1148 IonicContact OD1-NE 2.82Å; D1106-R1148 IonicContact OD1-NH2 2.99Å; D1106-R1148 PolarHBondContact OD1-NH2 3.04Å | ||
| 1107 | K | 49.5 | Very low | 57.9 | Low | 184.4 Ų | 184.4 | 80.7 Ų | 80.7 | 80% | 0.802 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -112.3 | 54.4 | -177.6 | -75.4 | -172.2 | 175.7 | 179.9 | 0 | 113.7 | S1105 T1109 | S1105-K1107 PolarHBondContact O-N 2.83Å; K1107-T1109 VanDerWaalsContact C-N 3.27Å; K1107-T1109 PolarHBondContact O-N 2.99Å; K1107-T1109 PolarHBondContact O-OG1 2.81Å |
| 1108 | N | 38.6 | Very low | 57 | Low | 165.8 Ų | 165.8 | 82.5 Ų | 82.5 | 89% | 0.887 | 47% | 0.466 | S | S | * | . | trans | -50.1 | 53.6 | 174.7 | -84.5 | -17.4 | 0 | 0 | 0 | 116.3 | D1106 S1110 | D1106-N1108 PolarHBondContact OD1-N 2.99Å; N1108-S1110 PolarHBondContact O-N 3.04Å | ||
| 1109 | T | 38.9 | Very low | 56.5 | Low | 102.2 Ų | 102.2 | 81.3 Ų | 81.3 | 63% | 0.627 | 46% | 0.464 | S | S | * | . | trans | -124.9 | 103.2 | 166.1 | 35.2 | 0 | 0 | 0 | 0 | 111.6 | D1106 K1107 G1111 | D1106-T1109 PolarHBondContact OD1-N 2.9Å; D1106-T1109 VanDerWaalsContact OD1-N 3.17Å; D1106-T1109 PolarHBondContact OD1-OG1 3.25Å; D1106-T1109 PolarHBondContact OD2-OG1 3.17Å; K1107-T1109 VanDerWaalsContact C-N 3.27Å; K1107-T1109 PolarHBondContact O-N 2.99Å; K1107-T1109 PolarHBondContact O-OG1 2.81Å; T1109-G1111 VanDerWaalsContact C-N 3.33Å; T1109-G1111 PolarHBondContact O-N 3.01Å | ||
| 1110 | S | 35.8 | Very low | 56.1 | Low | 116 Ų | 116 | 79.5 Ų | 79.5 | 81% | 0.811 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -26 | 85.4 | 168.4 | 54.7 | 0 | 0 | 0 | 0 | 114.3 | R1068 N1108 M1112 | R1068-S1110 PolarHBondContact NH1-O 2.81Å; N1108-S1110 PolarHBondContact O-N 3.04Å; S1110-M1112 VanDerWaalsContact C-N 3.28Å; S1110-M1112 PolarHBondContact O-N 3.24Å |
| 1111 | G | 38.9 | Very low | 55.7 | Low | 76.8 Ų | 76.8 | 79.8 Ų | 79.8 | 79% | 0.792 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 141.6 | -26.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | T1109 K1113 | T1109-G1111 VanDerWaalsContact C-N 3.33Å; T1109-G1111 PolarHBondContact O-N 3.01Å; G1111-K1113 PolarHBondContact O-N 3.19Å; G1111-K1113 VanDerWaalsContact O-N 3.15Å |
| 1112 | M | 41.1 | Very low | 54.9 | Low | 154.4 Ų | 154.4 | 78.6 Ų | 78.6 | 76% | 0.761 | 46% | 0.46 | S | S | * | . | trans | -83.5 | 110.2 | -178.9 | -89.6 | 177.9 | 166.5 | 0 | 0 | 111.5 | Y1099 S1110 | Y1099-M1112 HydrophobicContact CE2-CE 4.14Å; Y1099-M1112 HydrophobicContact CE2-SD 4.39Å; S1110-M1112 VanDerWaalsContact C-N 3.28Å; S1110-M1112 PolarHBondContact O-N 3.24Å | ||
| 1113 | K | 53 | Low | 54.5 | Low | 192.6 Ų | 192.6 | 81.4 Ų | 81.4 | 84% | 0.837 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 149.8 | 160 | -67.9 | -179.6 | 177.4 | 179.3 | 0 | 108.8 | G1111 | G1111-K1113 PolarHBondContact O-N 3.19Å; G1111-K1113 VanDerWaalsContact O-N 3.15Å |
| 1114 | L | 60.4 | Low | 54.4 | Low | 35.8 Ų | 35.8 | 81.5 Ų | 81.5 | 19% | 0.187 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 142.9 | 162.5 | -81.9 | 85.2 | 0 | 0 | 0 | 108.8 | L1145 R1148 Y1149 | L1114-L1145 HydrophobicContact CD2-CD1 4.04Å; L1114-R1148 HydrophobicContact CD1-CB 4.32Å; L1114-R1148 HydrophobicContact CD2-CB 3.87Å; L1114-Y1149 HydrophobicContact CB-CE1 4.24Å; L1114-Y1149 HydrophobicContact CD2-CD1 4.37Å; L1114-Y1149 HydrophobicContact CD2-CD2 4.12Å; L1114-Y1149 HydrophobicContact CD2-CE1 4.1Å; L1114-Y1149 HydrophobicContact CD2-CE2 3.81Å; L1114-Y1149 HydrophobicContact CD2-CG 4.33Å |
| 1115 | P | 61.5 | Low | 54.2 | Low | 29.2 Ų | 29.2 | 81.7 Ų | 81.7 | 19% | 0.19 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 136.9 | 169.8 | 6.8 | -7.5 | 0 | 0 | 0 | 109 | L1103 M1117 S1119 L1120 Y1149 | L1103-P1115 HydrophobicContact CD2-CG 4.06Å; P1115-M1117 PolarHBondContact O-N 3.24Å; P1115-S1119 WeakPolarHBondContact CB-OG 3.42Å; P1115-L1120 HydrophobicContact CB-CD2 4.27Å; P1115-L1120 HydrophobicContact CG-CD2 4.17Å; P1115-L1120 HydrophobicContact CG-CG 4.48Å; P1115-Y1149 VanDerWaalsContact O-CE1 3.3Å; P1115-Y1149 WeakPolarHBondContact O-CE1 3.33Å; P1115-Y1149 PolarHBondContact O-OH 3.15Å; P1115-Y1149 VanDerWaalsContact O-OH 3.1Å |
| 1116 | P | 58.3 | Low | 54.4 | Low | 78 Ų | 78 | 83 Ų | 83 | 51% | 0.506 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 142.8 | 176.2 | 16.6 | -22.1 | 0 | 0 | 0 | 109.3 | S1118 S1119 | P1116-S1118 PolarHBondContact O-N 3.23Å; P1116-S1118 VanDerWaalsContact O-N 3.11Å; P1116-S1119 WeakPolarHBondContact CD-OG 3.2Å; P1116-S1119 WeakPolarHBondContact O-CA 2.99Å; P1116-S1119 WeakPolarHBondContact O-CB 3.36Å; P1116-S1119 PolarHBondContact O-N 3.09Å; P1116-S1119 PolarHBondContact O-OG 3.23Å |
| 1117 | M | 59.4 | Low | 55.1 | Low | 24.8 Ų | 24.8 | 80.7 Ų | 80.7 | 12% | 0.122 | 46% | 0.455 | C | S | . | . | G | 310 helix | trans | -55.3 | -34.1 | -175.4 | -148 | 175 | -112.6 | 0 | 0 | 112.3 | P1115 S1119 L1120 I1125 V1128 L1129 Y1149 L1153 M1166 L1167 V1209 | P1115-M1117 PolarHBondContact O-N 3.24Å; M1117-S1119 PolarHBondContact O-N 3.16Å; M1117-S1119 VanDerWaalsContact O-N 3.15Å; M1117-L1120 PolarHBondContact O-N 3.14Å; M1117-L1120 VanDerWaalsContact O-N 3.1Å; M1117-I1125 HydrophobicContact CB-CD1 4.24Å; M1117-I1125 HydrophobicContact CE-CG2 4.04Å; M1117-I1125 HydrophobicContact CG-CB 4.47Å; M1117-I1125 HydrophobicContact CG-CD1 4.1Å; M1117-I1125 HydrophobicContact CG-CG1 3.89Å; M1117-I1125 HydrophobicContact CG-CG2 4.12Å; M1117-I1125 VanDerWaalsContact O-CD1 3.25Å; M1117-I1125 WeakPolarHBondContact O-CD1 3.34Å; M1117-I1125 WeakPolarHBondContact O-CG1 3.27Å; M1117-I1125 HydrophobicContact SD-CG2 3.88Å; M1117-V1128 HydrophobicContact CE-CG1 4.21Å; M1117-L1129 HydrophobicContact CE-CD1 4.02Å; M1117-L1129 HydrophobicContact CE-CD2 3.89Å; M1117-L1129 HydrophobicContact CE-CG 4.25Å; M1117-L1129 HydrophobicContact SD-CD1 4.22Å; M1117-L1129 HydrophobicContact SD-CD2 4.3Å; M1117-L1129 HydrophobicContact SD-CG 4.17Å; M1117-Y1149 HydrophobicContact CB-CD1 4.22Å; M1117-Y1149 HydrophobicContact CB-CE1 4.19Å; M1117-Y1149 VanDerWaalsContact CE-CB 3.43Å; M1117-Y1149 HydrophobicContact CE-CD1 3.82Å; M1117-Y1149 HydrophobicContact CE-CD2 4.24Å; M1117-Y1149 HydrophobicContact CE-CE1 4.37Å; M1117-Y1149 HydrophobicContact CE-CG 3.68Å; M1117-Y1149 HydrophobicContact CG-CD1 4.05Å; M1117-Y1149 HydrophobicContact CG-CE1 4.09Å; M1117-Y1149 HydrophobicContact CG-CG 4.5Å; M1117-Y1149 HydrophobicContact SD-CD1 4.4Å; M1117-Y1149 HydrophobicContact SD-CG 4.38Å; M1117-L1153 HydrophobicContact CE-CD1 3.97Å; M1117-L1153 HydrophobicContact CE-CG 4.43Å; M1117-L1153 HydrophobicContact SD-CD1 4.24Å; M1117-L1153 HydrophobicContact SD-CD2 4.05Å; M1117-L1153 HydrophobicContact SD-CG 4.28Å; M1117-M1166 WeakPolarHBondContact CB-O 3.31Å; M1117-L1167 HydrophobicContact SD-CD2 4.15Å; M1117-V1209 HydrophobicContact CB-CG1 4.17Å; M1117-V1209 HydrophobicContact CE-CG1 4.17Å; M1117-V1209 HydrophobicContact CG-CG1 3.92Å; M1117-V1209 HydrophobicContact SD-CB 4.25Å; M1117-V1209 HydrophobicContact SD-CG1 3.3Å; M1117-V1209 WeakPolarHBondContact SD-CG1 3.31Å; M1117-V1209 HydrophobicContact SD-CG2 3.84Å |
| 1118 | S | 54.2 | Low | 56.1 | Low | 90.6 Ų | 90.6 | 72 Ų | 72 | 63% | 0.634 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -62.3 | -5.7 | 172.6 | 56.3 | 0 | 0 | 0 | 0 | 116.3 | P1116 M1166 | P1116-S1118 PolarHBondContact O-N 3.23Å; P1116-S1118 VanDerWaalsContact O-N 3.11Å; S1118-M1166 PolarHBondContact N-O 3Å |
| 1119 | S | 57.3 | Low | 57.5 | Low | 56.2 Ų | 56.2 | 66 Ų | 66 | 39% | 0.393 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -105 | -4.6 | 174.8 | 67.4 | 0 | 0 | 0 | 0 | 113.9 | N1076 P1115 P1116 M1117 | N1076-S1119 PolarHBondContact ND2-O 3.34Å; P1115-S1119 WeakPolarHBondContact CB-OG 3.42Å; P1116-S1119 WeakPolarHBondContact CD-OG 3.2Å; P1116-S1119 WeakPolarHBondContact O-CA 2.99Å; P1116-S1119 WeakPolarHBondContact O-CB 3.36Å; P1116-S1119 PolarHBondContact O-N 3.09Å; P1116-S1119 PolarHBondContact O-OG 3.23Å; M1117-S1119 PolarHBondContact O-N 3.16Å; M1117-S1119 VanDerWaalsContact O-N 3.15Å |
| 1120 | L | 61.7 | Low | 58.9 | Low | 16.6 Ų | 16.6 | 65.2 Ų | 65.2 | 9% | 0.087 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -85.8 | 151.9 | 169.1 | -64.7 | 179.4 | 0 | 0 | 0 | 110.4 | L1079 L1103 P1115 M1117 L1124 I1125 Y1149 | L1079-L1120 HydrophobicContact CD1-CD2 4.29Å; L1103-L1120 HydrophobicContact CD1-CD2 4.49Å; P1115-L1120 HydrophobicContact CB-CD2 4.27Å; P1115-L1120 HydrophobicContact CG-CD2 4.17Å; P1115-L1120 HydrophobicContact CG-CG 4.48Å; M1117-L1120 PolarHBondContact O-N 3.14Å; M1117-L1120 VanDerWaalsContact O-N 3.1Å; L1120-L1124 HydrophobicContact CB-CD2 4.49Å; L1120-L1124 HydrophobicContact CD1-CD2 4.23Å; L1120-L1124 HydrophobicContact CD2-CD2 4.19Å; L1120-I1125 HydrophobicContact CB-CD1 4.3Å; L1120-I1125 HydrophobicContact CB-CG1 3.75Å; L1120-I1125 HydrophobicContact CD1-CG1 4.43Å; L1120-I1125 WeakPolarHBondContact O-CD1 3.41Å; L1120-Y1149 HydrophobicContact CD1-CE2 3.98Å; L1120-Y1149 WeakPolarHBondContact CD1-OH 3.44Å |
| 1121 | P | 60.7 | Low | 60.4 | Low | 11.4 Ų | 11.4 | 60.8 Ų | 60.8 | 7% | 0.074 | 35% | 0.347 | C | S | . | . | trans | -59.1 | 142.2 | 168.3 | -22 | 33.6 | 0 | 0 | 0 | 111.4 | N1076 L1079 R1080 E1123 L1124 I1125 | N1076-P1121 HydrophobicContact CB-CG 4.15Å; L1079-P1121 HydrophobicContact CB-CG 4.41Å; L1079-P1121 HydrophobicContact CD1-CG 3.9Å; R1080-P1121 HydrophobicContact CG-CB 3.94Å; R1080-P1121 HydrophobicContact CG-CG 3.42Å; R1080-P1121 VanDerWaalsContact CG-CG 3.42Å; P1121-E1123 VanDerWaalsContact C-N 3.26Å; P1121-E1123 WeakPolarHBondContact CB-OE2 3.33Å; P1121-E1123 PolarHBondContact O-N 3.07Å; P1121-E1123 VanDerWaalsContact O-N 3.17Å; P1121-L1124 HydrophobicContact CB-CB 4.34Å; P1121-L1124 HydrophobicContact CB-CD1 4.27Å; P1121-L1124 HydrophobicContact CB-CG 4.3Å; P1121-L1124 HydrophobicContact CG-CB 4.32Å; P1121-L1124 HydrophobicContact CG-CD1 3.88Å; P1121-L1124 WeakPolarHBondContact O-CA 3.34Å; P1121-L1124 WeakPolarHBondContact O-CB 3.14Å; P1121-L1124 PolarHBondContact O-N 3Å; P1121-I1125 WeakPolarHBondContact O-CD1 3.25Å; P1121-I1125 WeakPolarHBondContact O-CG1 3.3Å; P1121-I1125 PolarHBondContact O-N 3.2Å; P1121-I1125 VanDerWaalsContact O-N 3.12Å | ||
| 1122 | P | 57.3 | Low | 61.9 | Low | 62.6 Ų | 62.6 | 59.8 Ų | 59.8 | 41% | 0.406 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -55.4 | -36.7 | -178.1 | -6.9 | 8.5 | 0 | 0 | 0 | 113.6 | L1124 I1125 E1126 D1170 M1171 | P1122-L1124 VanDerWaalsContact C-N 3.3Å; P1122-L1124 PolarHBondContact O-N 3.05Å; P1122-I1125 WeakPolarHBondContact O-CB 3.37Å; P1122-I1125 PolarHBondContact O-N 3.24Å; P1122-I1125 VanDerWaalsContact O-N 3.14Å; P1122-E1126 WeakPolarHBondContact O-CB 3.35Å; P1122-E1126 PolarHBondContact O-N 3.08Å; P1122-E1126 VanDerWaalsContact O-N 3.14Å; P1122-D1170 HydrophobicContact CG-CB 4.15Å; P1122-D1170 WeakPolarHBondContact CG-OD2 3.4Å; P1122-M1171 HydrophobicContact CB-CE 4.32Å; P1122-M1171 WeakPolarHBondContact O-CE 3.5Å |
| 1123 | E | 60.4 | Low | 63.3 | Low | 104.2 Ų | 104.2 | 56.5 Ų | 56.5 | 49% | 0.487 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 177.8 | -47.6 | 84.4 | 170.1 | 0 | 0 | 110.8 | R1080 P1121 I1125 E1126 D1127 | R1080-E1123 IonicContact CZ-OE1 3.14Å; R1080-E1123 IonicContact NE-OE1 3.43Å; R1080-E1123 IonicContact NH2-OE1 3.3Å; R1080-E1123 PolarHBondContact NH2-OE1 3.34Å; R1080-E1123 IonicContact NH2-OE2 2.66Å; P1121-E1123 VanDerWaalsContact C-N 3.26Å; P1121-E1123 WeakPolarHBondContact CB-OE2 3.33Å; P1121-E1123 PolarHBondContact O-N 3.07Å; P1121-E1123 VanDerWaalsContact O-N 3.17Å; E1123-I1125 VanDerWaalsContact C-N 3.32Å; E1123-I1125 PolarHBondContact O-N 3.32Å; E1123-E1126 PolarHBondContact O-N 3.01Å; E1123-D1127 PolarHBondContact O-N 3.21Å; E1123-D1127 VanDerWaalsContact O-N 3.09Å |
| 1124 | L | 67.1 | Low | 64.1 | Low | 22.4 Ų | 22.4 | 47.7 Ų | 47.7 | 12% | 0.117 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -75.1 | -29 | 178.4 | -128.9 | 128.4 | 0 | 0 | 0 | 112.4 | L1079 L1120 P1121 P1122 V1128 V1134 L1135 | L1079-L1124 HydrophobicContact CB-CD1 4.2Å; L1079-L1124 HydrophobicContact CD1-CD1 4.08Å; L1079-L1124 HydrophobicContact CD2-CD1 4.25Å; L1079-L1124 WeakPolarHBondContact O-CD1 3.46Å; L1120-L1124 HydrophobicContact CB-CD2 4.49Å; L1120-L1124 HydrophobicContact CD1-CD2 4.23Å; L1120-L1124 HydrophobicContact CD2-CD2 4.19Å; P1121-L1124 HydrophobicContact CB-CB 4.34Å; P1121-L1124 HydrophobicContact CB-CD1 4.27Å; P1121-L1124 HydrophobicContact CB-CG 4.3Å; P1121-L1124 HydrophobicContact CG-CB 4.32Å; P1121-L1124 HydrophobicContact CG-CD1 3.88Å; P1121-L1124 WeakPolarHBondContact O-CA 3.34Å; P1121-L1124 WeakPolarHBondContact O-CB 3.14Å; P1121-L1124 PolarHBondContact O-N 3Å; P1122-L1124 VanDerWaalsContact C-N 3.3Å; P1122-L1124 PolarHBondContact O-N 3.05Å; L1124-V1128 HydrophobicContact CD2-CG2 4.13Å; L1124-V1128 VanDerWaalsContact O-CB 3.27Å; L1124-V1128 WeakPolarHBondContact O-CB 3.28Å; L1124-V1128 VanDerWaalsContact O-CG2 3.27Å; L1124-V1128 WeakPolarHBondContact O-CG2 3.36Å; L1124-V1128 PolarHBondContact O-N 3.01Å; L1124-V1128 VanDerWaalsContact O-N 3.1Å; L1124-V1134 HydrophobicContact CB-CG1 4.25Å; L1124-V1134 HydrophobicContact CD1-CG1 3.78Å; L1124-V1134 HydrophobicContact CD1-CG2 4.09Å; L1124-V1134 HydrophobicContact CD2-CB 3.9Å; L1124-V1134 HydrophobicContact CD2-CG1 3.95Å; L1124-V1134 HydrophobicContact CG-CG1 4.06Å; L1124-V1134 HydrophobicContact CG-CG2 4.47Å; L1124-L1135 HydrophobicContact CD1-CD1 4.1Å; L1124-L1135 HydrophobicContact CD1-CD2 4.09Å; L1124-L1135 HydrophobicContact CD1-CG 4.17Å; L1124-L1135 HydrophobicContact CD2-CG 4.49Å |
| 1125 | I | 67.2 | Low | 64.4 | Low | 18.8 Ų | 18.8 | 50 Ų | 50 | 10% | 0.096 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68 | -45.1 | 172.4 | -62.8 | 169.2 | 0 | 0 | 0 | 109.9 | M1117 L1120 P1121 P1122 E1123 V1128 L1129 P1168 M1171 V1206 V1209 T1210 | M1117-I1125 HydrophobicContact CB-CD1 4.24Å; M1117-I1125 HydrophobicContact CE-CG2 4.04Å; M1117-I1125 HydrophobicContact CG-CB 4.47Å; M1117-I1125 HydrophobicContact CG-CD1 4.1Å; M1117-I1125 HydrophobicContact CG-CG1 3.89Å; M1117-I1125 HydrophobicContact CG-CG2 4.12Å; M1117-I1125 VanDerWaalsContact O-CD1 3.25Å; M1117-I1125 WeakPolarHBondContact O-CD1 3.34Å; M1117-I1125 WeakPolarHBondContact O-CG1 3.27Å; M1117-I1125 HydrophobicContact SD-CG2 3.88Å; L1120-I1125 HydrophobicContact CB-CD1 4.3Å; L1120-I1125 HydrophobicContact CB-CG1 3.75Å; L1120-I1125 HydrophobicContact CD1-CG1 4.43Å; L1120-I1125 WeakPolarHBondContact O-CD1 3.41Å; P1121-I1125 WeakPolarHBondContact O-CD1 3.25Å; P1121-I1125 WeakPolarHBondContact O-CG1 3.3Å; P1121-I1125 PolarHBondContact O-N 3.2Å; P1121-I1125 VanDerWaalsContact O-N 3.12Å; P1122-I1125 WeakPolarHBondContact O-CB 3.37Å; P1122-I1125 PolarHBondContact O-N 3.24Å; P1122-I1125 VanDerWaalsContact O-N 3.14Å; E1123-I1125 VanDerWaalsContact C-N 3.32Å; E1123-I1125 PolarHBondContact O-N 3.32Å; I1125-V1128 PolarHBondContact O-N 3.02Å; I1125-L1129 HydrophobicContact CG2-CD1 3.78Å; I1125-L1129 HydrophobicContact CG2-CG 4.33Å; I1125-L1129 VanDerWaalsContact O-CB 3.27Å; I1125-L1129 WeakPolarHBondContact O-CB 3.41Å; I1125-L1129 VanDerWaalsContact O-CG 3.3Å; I1125-L1129 WeakPolarHBondContact O-CG 3.32Å; I1125-L1129 PolarHBondContact O-N 3.18Å; I1125-P1168 HydrophobicContact CD1-CG 3.22Å; I1125-M1171 HydrophobicContact CB-CE 4.19Å; I1125-M1171 HydrophobicContact CB-SD 4.2Å; I1125-M1171 HydrophobicContact CG2-CE 4.2Å; I1125-M1171 HydrophobicContact CG2-SD 3.86Å; I1125-V1206 HydrophobicContact CG2-CG1 4.5Å; I1125-V1209 HydrophobicContact CG2-CG1 4.4Å; I1125-T1210 HydrophobicContact CD1-CG2 3.97Å |
| 1126 | E | 66 | Low | 64.7 | Low | 98.2 Ų | 98.2 | 49.8 Ų | 49.8 | 46% | 0.459 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.4 | -47.8 | 178.9 | -174 | 166.7 | -171.7 | 0 | 0 | 111.1 | P1122 E1123 V1128 L1129 Q1130 M1171 K1212 | P1122-E1126 WeakPolarHBondContact O-CB 3.35Å; P1122-E1126 PolarHBondContact O-N 3.08Å; P1122-E1126 VanDerWaalsContact O-N 3.14Å; E1123-E1126 PolarHBondContact O-N 3.01Å; E1126-V1128 PolarHBondContact O-N 3.21Å; E1126-L1129 PolarHBondContact O-N 3.14Å; E1126-Q1130 HydrophobicContact CG-CG 4.32Å; E1126-Q1130 VanDerWaalsContact CG-NE2 3.26Å; E1126-Q1130 VanDerWaalsContact O-CB 3.32Å; E1126-Q1130 WeakPolarHBondContact O-CB 3.32Å; E1126-Q1130 VanDerWaalsContact O-CG 3.32Å; E1126-Q1130 WeakPolarHBondContact O-CG 3.32Å; E1126-Q1130 PolarHBondContact O-N 3.16Å; E1126-Q1130 PolarHBondContact OE1-NE2 2.9Å; E1126-M1171 HydrophobicContact CB-CE 3.86Å; E1126-K1212 IonicContact OE1-NZ 2.7Å; E1126-K1212 PolarHBondContact OE1-NZ 2.77Å |
| 1127 | D | 68.8 | Low | 65.5 | Low | 54 Ų | 54 | 46.7 Ų | 46.7 | 29% | 0.289 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 175.9 | -82.9 | -21.7 | 0 | 0 | 0 | 112.7 | E1123 L1129 Q1130 G1131 N1132 V1134 | E1123-D1127 PolarHBondContact O-N 3.21Å; E1123-D1127 VanDerWaalsContact O-N 3.09Å; D1127-L1129 PolarHBondContact O-N 3.15Å; D1127-Q1130 PolarHBondContact O-N 3.24Å; D1127-G1131 CarbonylContact O-C 3.5Å; D1127-G1131 WeakPolarHBondContact O-CA 3.33Å; D1127-G1131 PolarHBondContact O-N 3.05Å; D1127-N1132 HydrophobicContact CB-CB 3.97Å; D1127-N1132 PolarHBondContact O-N 3.17Å; D1127-N1132 VanDerWaalsContact OD1-CB 3.26Å; D1127-N1132 WeakPolarHBondContact OD1-CB 3.36Å; D1127-N1132 PolarHBondContact OD1-ND2 3.16Å; D1127-V1134 HydrophobicContact CB-CG1 3.47Å; D1127-V1134 VanDerWaalsContact CB-CG1 3.47Å; D1127-V1134 HydrophobicContact CB-CG2 3.99Å |
| 1128 | V | 71.1 | Confident | 66.5 | Low | 1.4 Ų | 1.4 | 49.1 Ų | 49.1 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64 | -41.4 | 176.7 | 168 | 0 | 0 | 0 | 0 | 111.7 | M1117 L1124 I1125 E1126 Q1130 G1131 V1134 T1142 L1145 R1146 Y1149 | M1117-V1128 HydrophobicContact CE-CG1 4.21Å; L1124-V1128 HydrophobicContact CD2-CG2 4.13Å; L1124-V1128 VanDerWaalsContact O-CB 3.27Å; L1124-V1128 WeakPolarHBondContact O-CB 3.28Å; L1124-V1128 VanDerWaalsContact O-CG2 3.27Å; L1124-V1128 WeakPolarHBondContact O-CG2 3.36Å; L1124-V1128 PolarHBondContact O-N 3.01Å; L1124-V1128 VanDerWaalsContact O-N 3.1Å; I1125-V1128 PolarHBondContact O-N 3.02Å; E1126-V1128 PolarHBondContact O-N 3.21Å; V1128-Q1130 VanDerWaalsContact C-N 3.33Å; V1128-Q1130 PolarHBondContact O-N 2.79Å; V1128-G1131 PolarHBondContact O-N 3.18Å; V1128-V1134 HydrophobicContact CG2-CB 4.33Å; V1128-V1134 HydrophobicContact CG2-CG1 4.26Å; V1128-V1134 HydrophobicContact CG2-CG2 3.77Å; V1128-T1142 HydrophobicContact CG2-CG2 4.37Å; V1128-L1145 HydrophobicContact CG1-CD2 4.48Å; V1128-L1145 HydrophobicContact CG1-CG 4.39Å; V1128-L1145 HydrophobicContact CG2-CD2 3.94Å; V1128-L1145 HydrophobicContact CG2-CG 4.33Å; V1128-R1146 HydrophobicContact CG1-CB 4.37Å; V1128-R1146 VanDerWaalsContact O-CB 3.25Å; V1128-R1146 WeakPolarHBondContact O-CB 3.4Å; V1128-R1146 WeakPolarHBondContact O-CD 3.23Å; V1128-R1146 VanDerWaalsContact O-CG 3.24Å; V1128-R1146 WeakPolarHBondContact O-CG 3.16Å; V1128-Y1149 HydrophobicContact CG1-CD2 4.02Å; V1128-Y1149 HydrophobicContact CG1-CE2 4.47Å |
| 1129 | L | 68.4 | Low | 67.5 | Low | 39.2 Ų | 39.2 | 47.4 Ų | 47.4 | 21% | 0.205 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -73.3 | -34.4 | 179.6 | -72.6 | 175.9 | 0 | 0 | 0 | 112.8 | M1117 I1125 E1126 D1127 G1131 R1146 L1150 L1153 I1205 V1206 V1209 | M1117-L1129 HydrophobicContact CE-CD1 4.02Å; M1117-L1129 HydrophobicContact CE-CD2 3.89Å; M1117-L1129 HydrophobicContact CE-CG 4.25Å; M1117-L1129 HydrophobicContact SD-CD1 4.22Å; M1117-L1129 HydrophobicContact SD-CD2 4.3Å; M1117-L1129 HydrophobicContact SD-CG 4.17Å; I1125-L1129 HydrophobicContact CG2-CD1 3.78Å; I1125-L1129 HydrophobicContact CG2-CG 4.33Å; I1125-L1129 VanDerWaalsContact O-CB 3.27Å; I1125-L1129 WeakPolarHBondContact O-CB 3.41Å; I1125-L1129 VanDerWaalsContact O-CG 3.3Å; I1125-L1129 WeakPolarHBondContact O-CG 3.32Å; I1125-L1129 PolarHBondContact O-N 3.18Å; E1126-L1129 PolarHBondContact O-N 3.14Å; D1127-L1129 PolarHBondContact O-N 3.15Å; L1129-G1131 VanDerWaalsContact C-N 3.34Å; L1129-R1146 WeakPolarHBondContact O-CD 3.29Å; L1129-R1146 PolarHBondContact O-NE 2.88Å; L1129-R1146 VanDerWaalsContact O-NE 3.12Å; L1129-R1146 PolarHBondContact O-NH1 3.18Å; L1129-R1146 VanDerWaalsContact O-NH1 3.09Å; L1129-R1146 PolarHBondContact O-NH2 3.14Å; L1129-R1146 VanDerWaalsContact O-NH2 3.13Å; L1129-L1150 HydrophobicContact CD2-CD2 4.24Å; L1129-L1150 HydrophobicContact CD2-CG 4.24Å; L1129-L1153 HydrophobicContact CD2-CD1 4.06Å; L1129-I1205 HydrophobicContact CD1-CG2 3.98Å; L1129-V1206 HydrophobicContact CD1-CG2 3.75Å; L1129-V1209 HydrophobicContact CD1-CG1 4.39Å |
| 1130 | Q | 68.6 | Low | 68.5 | Low | 86 Ų | 86 | 51.8 Ų | 51.8 | 40% | 0.402 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -76.7 | -27.9 | 174.5 | -69.2 | -178.6 | 14.9 | 0 | 0 | 112.3 | E1126 D1127 V1128 N1132 R1146 I1202 | E1126-Q1130 HydrophobicContact CG-CG 4.32Å; E1126-Q1130 VanDerWaalsContact CG-NE2 3.26Å; E1126-Q1130 VanDerWaalsContact O-CB 3.32Å; E1126-Q1130 WeakPolarHBondContact O-CB 3.32Å; E1126-Q1130 VanDerWaalsContact O-CG 3.32Å; E1126-Q1130 WeakPolarHBondContact O-CG 3.32Å; E1126-Q1130 PolarHBondContact O-N 3.16Å; E1126-Q1130 PolarHBondContact OE1-NE2 2.9Å; D1127-Q1130 PolarHBondContact O-N 3.24Å; V1128-Q1130 VanDerWaalsContact C-N 3.33Å; V1128-Q1130 PolarHBondContact O-N 2.79Å; Q1130-N1132 PolarHBondContact OE1-ND2 3.11Å; Q1130-R1146 PolarHBondContact O-NH1 3.06Å; Q1130-I1202 HydrophobicContact CG-CD1 4.05Å |
| 1131 | G | 66.6 | Low | 69.3 | Low | 23.2 Ų | 23.2 | 53.2 Ų | 53.2 | 24% | 0.239 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | 19.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D1127 V1128 L1129 | D1127-G1131 CarbonylContact O-C 3.5Å; D1127-G1131 WeakPolarHBondContact O-CA 3.33Å; D1127-G1131 PolarHBondContact O-N 3.05Å; V1128-G1131 PolarHBondContact O-N 3.18Å; L1129-G1131 VanDerWaalsContact C-N 3.34Å |
| 1132 | N | 70.2 | Confident | 70.1 | Confident | 56.8 Ų | 56.8 | 52.7 Ų | 52.7 | 30% | 0.304 | 30% | 0.296 | S | S | . | . | trans | -72.5 | 147.2 | 177.1 | -58.5 | -24.1 | 0 | 0 | 0 | 110.1 | D1127 Q1130 V1134 T1142 | D1127-N1132 HydrophobicContact CB-CB 3.97Å; D1127-N1132 PolarHBondContact O-N 3.17Å; D1127-N1132 VanDerWaalsContact OD1-CB 3.26Å; D1127-N1132 WeakPolarHBondContact OD1-CB 3.36Å; D1127-N1132 PolarHBondContact OD1-ND2 3.16Å; Q1130-N1132 PolarHBondContact OE1-ND2 3.11Å; N1132-V1134 WeakPolarHBondContact O-CG2 3.49Å; N1132-V1134 PolarHBondContact O-N 3.13Å; N1132-V1134 VanDerWaalsContact O-N 3.13Å; N1132-T1142 WeakPolarHBondContact O-CB 3.49Å; N1132-T1142 VanDerWaalsContact O-CG2 3.27Å; N1132-T1142 WeakPolarHBondContact O-CG2 3.23Å; N1132-T1142 PolarHBondContact O-OG1 2.94Å | ||
| 1133 | P | 71 | Confident | 71 | Confident | 85 Ų | 85 | 54.7 Ų | 54.7 | 55% | 0.552 | 30% | 0.298 | S | S | * | . | trans | -64.9 | 105.9 | -177.4 | -21 | 33.2 | 0 | 0 | 0 | 113.2 | L1137 A1139 | P1133-L1137 WeakPolarHBondContact CB-O 3.07Å; P1133-A1139 HydrophobicContact CG-CB 4.3Å | ||
| 1134 | V | 70 | Confident | 71.9 | Confident | 6.6 Ų | 6.6 | 53.2 Ų | 53.2 | 4% | 0.04 | 29% | 0.293 | C | S | . | . | trans | -76.2 | 141.7 | 179.7 | -166.8 | 0 | 0 | 0 | 0 | 111.2 | A1100 L1124 D1127 V1128 N1132 G1136 L1137 T1142 | A1100-V1134 HydrophobicContact CB-CG1 4.42Å; L1124-V1134 HydrophobicContact CB-CG1 4.25Å; L1124-V1134 HydrophobicContact CD1-CG1 3.78Å; L1124-V1134 HydrophobicContact CD1-CG2 4.09Å; L1124-V1134 HydrophobicContact CD2-CB 3.9Å; L1124-V1134 HydrophobicContact CD2-CG1 3.95Å; L1124-V1134 HydrophobicContact CG-CG1 4.06Å; L1124-V1134 HydrophobicContact CG-CG2 4.47Å; D1127-V1134 HydrophobicContact CB-CG1 3.47Å; D1127-V1134 VanDerWaalsContact CB-CG1 3.47Å; D1127-V1134 HydrophobicContact CB-CG2 3.99Å; V1128-V1134 HydrophobicContact CG2-CB 4.33Å; V1128-V1134 HydrophobicContact CG2-CG1 4.26Å; V1128-V1134 HydrophobicContact CG2-CG2 3.77Å; N1132-V1134 WeakPolarHBondContact O-CG2 3.49Å; N1132-V1134 PolarHBondContact O-N 3.13Å; N1132-V1134 VanDerWaalsContact O-N 3.13Å; V1134-G1136 PolarHBondContact O-N 3.14Å; V1134-G1136 VanDerWaalsContact O-N 3.08Å; V1134-L1137 HydrophobicContact CB-CB 4.42Å; V1134-L1137 HydrophobicContact CB-CD1 4.2Å; V1134-L1137 HydrophobicContact CB-CG 4.41Å; V1134-L1137 HydrophobicContact CG1-CD1 4.37Å; V1134-L1137 HydrophobicContact CG1-CG 4.46Å; V1134-L1137 HydrophobicContact CG2-CB 4.44Å; V1134-L1137 HydrophobicContact CG2-CD1 4.11Å; V1134-L1137 WeakPolarHBondContact O-CB 3.36Å; V1134-L1137 VanDerWaalsContact O-CG 3.25Å; V1134-L1137 WeakPolarHBondContact O-CG 3.16Å; V1134-L1137 PolarHBondContact O-N 3.19Å; V1134-T1142 HydrophobicContact CB-CG2 4.23Å; V1134-T1142 HydrophobicContact CG2-CG2 3.93Å; V1134-T1142 WeakPolarHBondContact CG2-OG1 3.2Å; V1134-T1142 PolarHBondContact N-OG1 3.03Å | ||
| 1135 | L | 66.8 | Low | 72.4 | Confident | 84.4 Ų | 84.4 | 52.3 Ų | 52.3 | 44% | 0.442 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -37.9 | 93.7 | -178.3 | -138.7 | 105.6 | 0 | 0 | 0 | 113.6 | L1079 V1096 A1100 L1124 | L1079-L1135 HydrophobicContact CD2-CD1 3.63Å; L1079-L1135 HydrophobicContact CD2-CD2 3.48Å; L1079-L1135 VanDerWaalsContact CD2-CD2 3.48Å; L1079-L1135 HydrophobicContact CD2-CG 4.19Å; V1096-L1135 HydrophobicContact CB-CD2 4.32Å; V1096-L1135 HydrophobicContact CG1-CB 4.11Å; V1096-L1135 HydrophobicContact CG1-CD2 4.11Å; V1096-L1135 HydrophobicContact CG1-CG 4.41Å; V1096-L1135 WeakPolarHBondContact CG1-O 3.04Å; A1100-L1135 HydrophobicContact CB-CB 3.76Å; A1100-L1135 WeakPolarHBondContact CB-O 3.34Å; L1124-L1135 HydrophobicContact CD1-CD1 4.1Å; L1124-L1135 HydrophobicContact CD1-CD2 4.09Å; L1124-L1135 HydrophobicContact CD1-CG 4.17Å; L1124-L1135 HydrophobicContact CD2-CG 4.49Å |
| 1136 | G | 68 | Low | 72.9 | Confident | 25.2 Ų | 25.2 | 54.8 Ų | 54.8 | 26% | 0.26 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.7 | -2.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | K1101 V1134 | K1101-G1136 WeakPolarHBondContact CE-O 3.37Å; K1101-G1136 WeakPolarHBondContact CG-O 3.3Å; V1134-G1136 PolarHBondContact O-N 3.14Å; V1134-G1136 VanDerWaalsContact O-N 3.08Å |
| 1137 | L | 75.5 | Confident | 73.2 | Confident | 13.6 Ų | 13.6 | 52.8 Ų | 52.8 | 7% | 0.071 | 29% | 0.287 | C | S | . | . | trans | -98.7 | 146.7 | 169 | -60.9 | -174.1 | 0 | 0 | 0 | 111.1 | A1100 K1101 V1104 P1133 V1134 E1141 T1142 L1145 | A1100-L1137 HydrophobicContact CB-CD2 4.04Å; A1100-L1137 HydrophobicContact CB-CG 4.02Å; A1100-L1137 WeakPolarHBondContact O-CD2 3.21Å; K1101-L1137 HydrophobicContact CB-CD2 4.37Å; K1101-L1137 HydrophobicContact CG-CD2 3.94Å; V1104-L1137 HydrophobicContact CB-CD2 4.39Å; V1104-L1137 HydrophobicContact CG2-CD1 3.63Å; V1104-L1137 HydrophobicContact CG2-CD2 3.75Å; V1104-L1137 HydrophobicContact CG2-CG 4.35Å; P1133-L1137 WeakPolarHBondContact CB-O 3.07Å; V1134-L1137 HydrophobicContact CB-CB 4.42Å; V1134-L1137 HydrophobicContact CB-CD1 4.2Å; V1134-L1137 HydrophobicContact CB-CG 4.41Å; V1134-L1137 HydrophobicContact CG1-CD1 4.37Å; V1134-L1137 HydrophobicContact CG1-CG 4.46Å; V1134-L1137 HydrophobicContact CG2-CB 4.44Å; V1134-L1137 HydrophobicContact CG2-CD1 4.11Å; V1134-L1137 WeakPolarHBondContact O-CB 3.36Å; V1134-L1137 VanDerWaalsContact O-CG 3.25Å; V1134-L1137 WeakPolarHBondContact O-CG 3.16Å; V1134-L1137 PolarHBondContact O-N 3.19Å; L1137-E1141 HydrophobicContact CB-CB 3.96Å; L1137-E1141 HydrophobicContact CD1-CB 4.46Å; L1137-E1141 HydrophobicContact CD2-CB 4.04Å; L1137-E1141 HydrophobicContact CG-CB 4.37Å; L1137-T1142 WeakPolarHBondContact CB-OG1 3.33Å; L1137-L1145 HydrophobicContact CD1-CB 4.43Å; L1137-L1145 HydrophobicContact CD1-CD2 3.89Å | ||
| 1138 | T | 80 | Confident | 73.4 | Confident | 75.6 Ų | 75.6 | 53.3 Ų | 53.3 | 46% | 0.464 | 29% | 0.285 | S | S | . | . | trans | -68.9 | 164.3 | 160.8 | 56.6 | 0 | 0 | 0 | 0 | 110.8 | E1140 E1141 T1142 | T1138-E1140 PolarHBondContact O-N 3.11Å; T1138-E1141 WeakPolarHBondContact CB-OE2 3.26Å; T1138-E1141 WeakPolarHBondContact CG2-OE2 3.35Å; T1138-E1141 PolarHBondContact N-OE2 2.91Å; T1138-E1141 WeakPolarHBondContact O-CB 3.2Å; T1138-E1141 PolarHBondContact O-N 3.02Å; T1138-E1141 VanDerWaalsContact O-N 3.08Å; T1138-E1141 WeakPolarHBondContact OG1-CB 3.37Å; T1138-E1141 VanDerWaalsContact OG1-CG 3.26Å; T1138-E1141 WeakPolarHBondContact OG1-CG 3.24Å; T1138-E1141 PolarHBondContact OG1-N 3.09Å; T1138-E1141 VanDerWaalsContact OG1-N 3.14Å; T1138-E1141 PolarHBondContact OG1-OE2 3.07Å; T1138-T1142 WeakPolarHBondContact O-CB 3.11Å; T1138-T1142 PolarHBondContact O-N 3.08Å; T1138-T1142 PolarHBondContact O-OG1 2.9Å | ||
| 1139 | A | 74.3 | Confident | 73.3 | Confident | 54.8 Ų | 54.8 | 53.5 Ų | 53.5 | 45% | 0.453 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.9 | -32.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | P1133 T1142 F1143 | P1133-A1139 HydrophobicContact CG-CB 4.3Å; A1139-T1142 WeakPolarHBondContact O-CB 3.25Å; A1139-T1142 PolarHBondContact O-N 2.74Å; A1139-F1143 WeakPolarHBondContact O-CB 3.36Å; A1139-F1143 PolarHBondContact O-N 3.16Å |
| 1140 | E | 78.6 | Confident | 73 | Confident | 147 Ų | 147 | 53.8 Ų | 53.8 | 69% | 0.687 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -73.8 | -41.3 | 177.7 | -167.6 | 167.4 | -167.1 | 0 | 0 | 111.9 | T1138 T1142 F1143 I1144 | T1138-E1140 PolarHBondContact O-N 3.11Å; E1140-T1142 VanDerWaalsContact C-N 3.32Å; E1140-T1142 PolarHBondContact O-N 3.2Å; E1140-F1143 PolarHBondContact O-N 3.04Å; E1140-I1144 VanDerWaalsContact O-CG1 3.31Å; E1140-I1144 WeakPolarHBondContact O-CG1 3.29Å; E1140-I1144 PolarHBondContact O-N 3.06Å |
| 1141 | E | 79.2 | Confident | 72.5 | Confident | 47.8 Ų | 47.8 | 56.2 Ų | 56.2 | 22% | 0.223 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.1 | -36.9 | 170.4 | -73.2 | 166 | 124.5 | 0 | 0 | 112.2 | K1101 V1104 L1137 T1138 I1144 L1145 | K1101-E1141 WeakPolarHBondContact CD-OE1 3.33Å; K1101-E1141 WeakPolarHBondContact CE-OE1 3.41Å; K1101-E1141 VanDerWaalsContact NZ-CD 3.25Å; K1101-E1141 IonicContact NZ-OE1 3.1Å; K1101-E1141 PolarHBondContact NZ-OE1 2.99Å; K1101-E1141 VanDerWaalsContact NZ-OE1 3.12Å; K1101-E1141 IonicContact NZ-OE2 2.71Å; K1101-E1141 PolarHBondContact NZ-OE2 2.92Å; V1104-E1141 HydrophobicContact CB-CB 4.37Å; V1104-E1141 HydrophobicContact CG1-CB 4.04Å; V1104-E1141 HydrophobicContact CG1-CG 4.12Å; V1104-E1141 HydrophobicContact CG2-CB 4.25Å; V1104-E1141 VanDerWaalsContact CG2-O 3.31Å; V1104-E1141 WeakPolarHBondContact CG2-O 3.14Å; L1137-E1141 HydrophobicContact CB-CB 3.96Å; L1137-E1141 HydrophobicContact CD1-CB 4.46Å; L1137-E1141 HydrophobicContact CD2-CB 4.04Å; L1137-E1141 HydrophobicContact CG-CB 4.37Å; T1138-E1141 WeakPolarHBondContact CB-OE2 3.26Å; T1138-E1141 WeakPolarHBondContact CG2-OE2 3.35Å; T1138-E1141 PolarHBondContact N-OE2 2.91Å; T1138-E1141 WeakPolarHBondContact O-CB 3.2Å; T1138-E1141 PolarHBondContact O-N 3.02Å; T1138-E1141 VanDerWaalsContact O-N 3.08Å; T1138-E1141 WeakPolarHBondContact OG1-CB 3.37Å; T1138-E1141 VanDerWaalsContact OG1-CG 3.26Å; T1138-E1141 WeakPolarHBondContact OG1-CG 3.24Å; T1138-E1141 PolarHBondContact OG1-N 3.09Å; T1138-E1141 VanDerWaalsContact OG1-N 3.14Å; T1138-E1141 PolarHBondContact OG1-OE2 3.07Å; E1141-I1144 PolarHBondContact O-N 3.08Å; E1141-L1145 PolarHBondContact O-N 3.2Å |
| 1142 | T | 76.8 | Confident | 72.2 | Confident | 0.2 Ų | 0.2 | 60.2 Ų | 60.2 | 0% | 0.001 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 172.4 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | V1128 N1132 V1134 L1137 T1138 A1139 E1140 I1144 L1145 R1146 | V1128-T1142 HydrophobicContact CG2-CG2 4.37Å; N1132-T1142 WeakPolarHBondContact O-CB 3.49Å; N1132-T1142 VanDerWaalsContact O-CG2 3.27Å; N1132-T1142 WeakPolarHBondContact O-CG2 3.23Å; N1132-T1142 PolarHBondContact O-OG1 2.94Å; V1134-T1142 HydrophobicContact CB-CG2 4.23Å; V1134-T1142 HydrophobicContact CG2-CG2 3.93Å; V1134-T1142 WeakPolarHBondContact CG2-OG1 3.2Å; V1134-T1142 PolarHBondContact N-OG1 3.03Å; L1137-T1142 WeakPolarHBondContact CB-OG1 3.33Å; T1138-T1142 WeakPolarHBondContact O-CB 3.11Å; T1138-T1142 PolarHBondContact O-N 3.08Å; T1138-T1142 PolarHBondContact O-OG1 2.9Å; A1139-T1142 WeakPolarHBondContact O-CB 3.25Å; A1139-T1142 PolarHBondContact O-N 2.74Å; E1140-T1142 VanDerWaalsContact C-N 3.32Å; E1140-T1142 PolarHBondContact O-N 3.2Å; T1142-I1144 VanDerWaalsContact C-N 3.3Å; T1142-I1144 PolarHBondContact O-N 3.01Å; T1142-L1145 CarbonylContact O-C 3.49Å; T1142-L1145 WeakPolarHBondContact O-CA 3.38Å; T1142-L1145 WeakPolarHBondContact O-CB 3.37Å; T1142-L1145 PolarHBondContact O-N 3.1Å; T1142-L1145 VanDerWaalsContact O-N 3.12Å; T1142-R1146 WeakPolarHBondContact O-CB 3.27Å; T1142-R1146 PolarHBondContact O-N 2.97Å |
| 1143 | F | 77.2 | Confident | 71.2 | Confident | 105 Ų | 105 | 61.2 Ų | 61.2 | 46% | 0.461 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.3 | -38.5 | 177 | -173 | -93.4 | 0 | 0 | 0 | 112 | A1139 E1140 L1145 R1146 E1147 L1167 | A1139-F1143 WeakPolarHBondContact O-CB 3.36Å; A1139-F1143 PolarHBondContact O-N 3.16Å; E1140-F1143 PolarHBondContact O-N 3.04Å; F1143-L1145 VanDerWaalsContact C-N 3.33Å; F1143-L1145 PolarHBondContact O-N 3.01Å; F1143-R1146 WeakPolarHBondContact O-CB 3.11Å; F1143-R1146 PolarHBondContact O-N 2.99Å; F1143-E1147 HydrophobicContact CD1-CG 4.16Å; F1143-E1147 HydrophobicContact CE1-CG 3.81Å; F1143-E1147 HydrophobicContact CZ-CG 4.12Å; F1143-E1147 WeakPolarHBondContact O-CB 3.46Å; F1143-E1147 WeakPolarHBondContact O-CG 3.3Å; F1143-E1147 PolarHBondContact O-N 3.31Å; F1143-E1147 VanDerWaalsContact O-N 3.07Å; F1143-L1167 HydrophobicContact CE1-CD2 4.33Å; F1143-L1167 HydrophobicContact CZ-CD2 4.19Å |
| 1144 | I | 79 | Confident | 70.2 | Confident | 72.4 Ų | 72.4 | 62 Ų | 62 | 37% | 0.371 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 172.7 | -66.7 | 164.1 | 0 | 0 | 0 | 111.3 | V1104 E1140 E1141 T1142 E1147 R1148 | V1104-I1144 HydrophobicContact CG1-CB 4.14Å; V1104-I1144 HydrophobicContact CG1-CD1 4.16Å; V1104-I1144 HydrophobicContact CG1-CG2 3.9Å; E1140-I1144 VanDerWaalsContact O-CG1 3.31Å; E1140-I1144 WeakPolarHBondContact O-CG1 3.29Å; E1140-I1144 PolarHBondContact O-N 3.06Å; E1141-I1144 PolarHBondContact O-N 3.08Å; T1142-I1144 VanDerWaalsContact C-N 3.3Å; T1142-I1144 PolarHBondContact O-N 3.01Å; I1144-E1147 PolarHBondContact O-N 3.44Å; I1144-R1148 WeakPolarHBondContact O-CB 3.5Å; I1144-R1148 VanDerWaalsContact O-CG 3.31Å; I1144-R1148 WeakPolarHBondContact O-CG 3.26Å; I1144-R1148 PolarHBondContact O-N 3.18Å |
| 1145 | L | 76.8 | Confident | 69 | Low | 3.8 Ų | 3.8 | 63.4 Ų | 63.4 | 2% | 0.02 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67 | -42.9 | 176.1 | -170.6 | 58.4 | 0 | 0 | 0 | 111.8 | L1103 V1104 L1114 V1128 L1137 E1141 T1142 F1143 R1148 Y1149 | L1103-L1145 HydrophobicContact CB-CD1 3.99Å; L1103-L1145 HydrophobicContact CB-CD2 4.39Å; L1103-L1145 HydrophobicContact CD1-CD2 4.24Å; V1104-L1145 HydrophobicContact CG2-CB 4.25Å; V1104-L1145 HydrophobicContact CG2-CD1 4.5Å; L1114-L1145 HydrophobicContact CD2-CD1 4.04Å; V1128-L1145 HydrophobicContact CG1-CD2 4.48Å; V1128-L1145 HydrophobicContact CG1-CG 4.39Å; V1128-L1145 HydrophobicContact CG2-CD2 3.94Å; V1128-L1145 HydrophobicContact CG2-CG 4.33Å; L1137-L1145 HydrophobicContact CD1-CB 4.43Å; L1137-L1145 HydrophobicContact CD1-CD2 3.89Å; E1141-L1145 PolarHBondContact O-N 3.2Å; T1142-L1145 CarbonylContact O-C 3.49Å; T1142-L1145 WeakPolarHBondContact O-CA 3.38Å; T1142-L1145 WeakPolarHBondContact O-CB 3.37Å; T1142-L1145 PolarHBondContact O-N 3.1Å; T1142-L1145 VanDerWaalsContact O-N 3.12Å; F1143-L1145 VanDerWaalsContact C-N 3.33Å; F1143-L1145 PolarHBondContact O-N 3.01Å; L1145-R1148 WeakPolarHBondContact O-CB 3.22Å; L1145-R1148 PolarHBondContact O-N 3.23Å; L1145-Y1149 HydrophobicContact CD1-CD2 4.05Å; L1145-Y1149 HydrophobicContact CD1-CE2 3.8Å; L1145-Y1149 HydrophobicContact CD2-CE2 4.45Å; L1145-Y1149 HydrophobicContact CG-CD2 4.13Å; L1145-Y1149 HydrophobicContact CG-CE2 4.02Å; L1145-Y1149 VanDerWaalsContact O-CD2 3.3Å; L1145-Y1149 WeakPolarHBondContact O-CD2 3.28Å; L1145-Y1149 PolarHBondContact O-N 3.21Å; L1145-Y1149 VanDerWaalsContact O-N 3.12Å |
| 1146 | R | 77.4 | Confident | 67.7 | Low | 69.8 Ų | 69.8 | 64.4 Ų | 64.4 | 26% | 0.263 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.9 | -49.4 | 173 | 179.7 | 177.8 | 170.3 | 166.6 | 2 | 111.6 | V1128 L1129 Q1130 T1142 F1143 R1148 Y1149 L1150 | V1128-R1146 HydrophobicContact CG1-CB 4.37Å; V1128-R1146 VanDerWaalsContact O-CB 3.25Å; V1128-R1146 WeakPolarHBondContact O-CB 3.4Å; V1128-R1146 WeakPolarHBondContact O-CD 3.23Å; V1128-R1146 VanDerWaalsContact O-CG 3.24Å; V1128-R1146 WeakPolarHBondContact O-CG 3.16Å; L1129-R1146 WeakPolarHBondContact O-CD 3.29Å; L1129-R1146 PolarHBondContact O-NE 2.88Å; L1129-R1146 VanDerWaalsContact O-NE 3.12Å; L1129-R1146 PolarHBondContact O-NH1 3.18Å; L1129-R1146 VanDerWaalsContact O-NH1 3.09Å; L1129-R1146 PolarHBondContact O-NH2 3.14Å; L1129-R1146 VanDerWaalsContact O-NH2 3.13Å; Q1130-R1146 PolarHBondContact O-NH1 3.06Å; T1142-R1146 WeakPolarHBondContact O-CB 3.27Å; T1142-R1146 PolarHBondContact O-N 2.97Å; F1143-R1146 WeakPolarHBondContact O-CB 3.11Å; F1143-R1146 PolarHBondContact O-N 2.99Å; R1146-R1148 VanDerWaalsContact C-N 3.31Å; R1146-R1148 PolarHBondContact O-N 3.02Å; R1146-Y1149 PolarHBondContact O-N 3.16Å; R1146-Y1149 VanDerWaalsContact O-N 3.15Å; R1146-L1150 HydrophobicContact CG-CD1 3.9Å; R1146-L1150 HydrophobicContact CG-CG 4.31Å; R1146-L1150 WeakPolarHBondContact O-CB 3.34Å; R1146-L1150 VanDerWaalsContact O-CG 3.32Å; R1146-L1150 WeakPolarHBondContact O-CG 3.29Å; R1146-L1150 PolarHBondContact O-N 2.99Å |
| 1147 | E | 72.4 | Confident | 66.6 | Low | 57.8 Ų | 57.8 | 69.5 Ų | 69.5 | 27% | 0.27 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.3 | -38.8 | 177.4 | -85.6 | -69.4 | 114.9 | 0 | 0 | 112.8 | F1143 I1144 Y1149 L1150 K1151 | F1143-E1147 HydrophobicContact CD1-CG 4.16Å; F1143-E1147 HydrophobicContact CE1-CG 3.81Å; F1143-E1147 HydrophobicContact CZ-CG 4.12Å; F1143-E1147 WeakPolarHBondContact O-CB 3.46Å; F1143-E1147 WeakPolarHBondContact O-CG 3.3Å; F1143-E1147 PolarHBondContact O-N 3.31Å; F1143-E1147 VanDerWaalsContact O-N 3.07Å; I1144-E1147 PolarHBondContact O-N 3.44Å; E1147-Y1149 VanDerWaalsContact C-N 3.31Å; E1147-Y1149 PolarHBondContact O-N 3.36Å; E1147-L1150 PolarHBondContact O-N 2.97Å; E1147-K1151 VanDerWaalsContact O-CB 3.28Å; E1147-K1151 WeakPolarHBondContact O-CB 3.32Å; E1147-K1151 WeakPolarHBondContact O-CD 3.33Å; E1147-K1151 VanDerWaalsContact O-CG 3.27Å; E1147-K1151 WeakPolarHBondContact O-CG 3.4Å; E1147-K1151 PolarHBondContact O-N 3.27Å; E1147-K1151 VanDerWaalsContact O-N 3.16Å; E1147-K1151 WeakPolarHBondContact OE2-CE 3.28Å; E1147-K1151 IonicContact OE2-NZ 3.1Å; E1147-K1151 PolarHBondContact OE2-NZ 3.21Å |
| 1148 | R | 73.5 | Confident | 65 | Low | 64.6 Ų | 64.6 | 71.6 Ų | 71.6 | 24% | 0.244 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 174.8 | -80.1 | 176.2 | 161.2 | -162.7 | -7.9 | 112.3 | L1103 V1104 S1105 D1106 L1114 I1144 L1145 R1146 K1151 Q1152 | L1103-R1148 PolarHBondContact O-NH1 3.06Å; L1103-R1148 VanDerWaalsContact O-NH1 3.09Å; V1104-R1148 PolarHBondContact O-NH1 2.8Å; S1105-R1148 PolarHBondContact O-NH1 3.03Å; S1105-R1148 VanDerWaalsContact O-NH1 3.07Å; S1105-R1148 PolarHBondContact O-NH2 2.95Å; D1106-R1148 PolarHBondContact O-NH1 2.93Å; D1106-R1148 PolarHBondContact O-NH2 3.36Å; D1106-R1148 IonicContact OD1-CZ 3.03Å; D1106-R1148 IonicContact OD1-NE 2.82Å; D1106-R1148 IonicContact OD1-NH2 2.99Å; D1106-R1148 PolarHBondContact OD1-NH2 3.04Å; L1114-R1148 HydrophobicContact CD1-CB 4.32Å; L1114-R1148 HydrophobicContact CD2-CB 3.87Å; I1144-R1148 WeakPolarHBondContact O-CB 3.5Å; I1144-R1148 VanDerWaalsContact O-CG 3.31Å; I1144-R1148 WeakPolarHBondContact O-CG 3.26Å; I1144-R1148 PolarHBondContact O-N 3.18Å; L1145-R1148 WeakPolarHBondContact O-CB 3.22Å; L1145-R1148 PolarHBondContact O-N 3.23Å; R1146-R1148 VanDerWaalsContact C-N 3.31Å; R1146-R1148 PolarHBondContact O-N 3.02Å; R1148-K1151 PolarHBondContact O-N 2.94Å; R1148-Q1152 PolarHBondContact O-N 2.79Å; R1148-Q1152 VanDerWaalsContact O-N 3.11Å |
| 1149 | Y | 68.1 | Low | 63.4 | Low | 5.2 Ų | 5.2 | 72 Ų | 72 | 2% | 0.02 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -73.8 | -42 | 177.7 | -84.8 | -64.5 | 0 | 0 | 0 | 113.1 | L1114 P1115 M1117 L1120 V1128 L1145 R1146 E1147 K1151 Q1152 L1153 | L1114-Y1149 HydrophobicContact CB-CE1 4.24Å; L1114-Y1149 HydrophobicContact CD2-CD1 4.37Å; L1114-Y1149 HydrophobicContact CD2-CD2 4.12Å; L1114-Y1149 HydrophobicContact CD2-CE1 4.1Å; L1114-Y1149 HydrophobicContact CD2-CE2 3.81Å; L1114-Y1149 HydrophobicContact CD2-CG 4.33Å; P1115-Y1149 VanDerWaalsContact O-CE1 3.3Å; P1115-Y1149 WeakPolarHBondContact O-CE1 3.33Å; P1115-Y1149 PolarHBondContact O-OH 3.15Å; P1115-Y1149 VanDerWaalsContact O-OH 3.1Å; M1117-Y1149 HydrophobicContact CB-CD1 4.22Å; M1117-Y1149 HydrophobicContact CB-CE1 4.19Å; M1117-Y1149 VanDerWaalsContact CE-CB 3.43Å; M1117-Y1149 HydrophobicContact CE-CD1 3.82Å; M1117-Y1149 HydrophobicContact CE-CD2 4.24Å; M1117-Y1149 HydrophobicContact CE-CE1 4.37Å; M1117-Y1149 HydrophobicContact CE-CG 3.68Å; M1117-Y1149 HydrophobicContact CG-CD1 4.05Å; M1117-Y1149 HydrophobicContact CG-CE1 4.09Å; M1117-Y1149 HydrophobicContact CG-CG 4.5Å; M1117-Y1149 HydrophobicContact SD-CD1 4.4Å; M1117-Y1149 HydrophobicContact SD-CG 4.38Å; L1120-Y1149 HydrophobicContact CD1-CE2 3.98Å; L1120-Y1149 WeakPolarHBondContact CD1-OH 3.44Å; V1128-Y1149 HydrophobicContact CG1-CD2 4.02Å; V1128-Y1149 HydrophobicContact CG1-CE2 4.47Å; L1145-Y1149 HydrophobicContact CD1-CD2 4.05Å; L1145-Y1149 HydrophobicContact CD1-CE2 3.8Å; L1145-Y1149 HydrophobicContact CD2-CE2 4.45Å; L1145-Y1149 HydrophobicContact CG-CD2 4.13Å; L1145-Y1149 HydrophobicContact CG-CE2 4.02Å; L1145-Y1149 VanDerWaalsContact O-CD2 3.3Å; L1145-Y1149 WeakPolarHBondContact O-CD2 3.28Å; L1145-Y1149 PolarHBondContact O-N 3.21Å; L1145-Y1149 VanDerWaalsContact O-N 3.12Å; R1146-Y1149 PolarHBondContact O-N 3.16Å; R1146-Y1149 VanDerWaalsContact O-N 3.15Å; E1147-Y1149 VanDerWaalsContact C-N 3.31Å; E1147-Y1149 PolarHBondContact O-N 3.36Å; Y1149-K1151 VanDerWaalsContact C-N 3.28Å; Y1149-K1151 PolarHBondContact O-N 3.02Å; Y1149-Q1152 WeakPolarHBondContact O-CB 3.36Å; Y1149-Q1152 PolarHBondContact O-N 3.15Å; Y1149-L1153 WeakPolarHBondContact O-CG 3.32Å; Y1149-L1153 PolarHBondContact O-N 2.98Å |
| 1150 | L | 62 | Low | 61.9 | Low | 45.2 Ų | 45.2 | 73.9 Ų | 73.9 | 24% | 0.237 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.1 | -37.8 | 175.7 | -72.6 | 173.7 | 0 | 0 | 0 | 111.8 | L1129 R1146 E1147 Q1152 L1153 I1154 I1202 V1206 | L1129-L1150 HydrophobicContact CD2-CD2 4.24Å; L1129-L1150 HydrophobicContact CD2-CG 4.24Å; R1146-L1150 HydrophobicContact CG-CD1 3.9Å; R1146-L1150 HydrophobicContact CG-CG 4.31Å; R1146-L1150 WeakPolarHBondContact O-CB 3.34Å; R1146-L1150 VanDerWaalsContact O-CG 3.32Å; R1146-L1150 WeakPolarHBondContact O-CG 3.29Å; R1146-L1150 PolarHBondContact O-N 2.99Å; E1147-L1150 PolarHBondContact O-N 2.97Å; L1150-Q1152 VanDerWaalsContact C-N 3.32Å; L1150-Q1152 PolarHBondContact O-N 2.89Å; L1150-L1153 CarbonylContact O-C 3.53Å; L1150-L1153 PolarHBondContact O-N 2.97Å; L1150-L1153 VanDerWaalsContact O-N 3.1Å; L1150-I1154 HydrophobicContact CB-CD1 4.25Å; L1150-I1154 HydrophobicContact CD2-CD1 4.33Å; L1150-I1154 WeakPolarHBondContact O-CB 2.98Å; L1150-I1154 VanDerWaalsContact O-CG1 3.28Å; L1150-I1154 WeakPolarHBondContact O-CG1 3.3Å; L1150-I1154 PolarHBondContact O-N 3.01Å; L1150-I1154 VanDerWaalsContact O-N 3.1Å; L1150-I1202 HydrophobicContact CD1-CG2 3.83Å; L1150-I1202 HydrophobicContact CD2-CG2 4.07Å; L1150-V1206 HydrophobicContact CD2-CG2 4.28Å |
| 1151 | K | 59.6 | Low | 60.3 | Low | 136.4 Ų | 136.4 | 69.6 Ų | 69.6 | 59% | 0.593 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -68.3 | -15.5 | 175.5 | -75.2 | 171.3 | -179 | 142.5 | 0 | 114.7 | E1147 R1148 Y1149 L1153 G1155 | E1147-K1151 VanDerWaalsContact O-CB 3.28Å; E1147-K1151 WeakPolarHBondContact O-CB 3.32Å; E1147-K1151 WeakPolarHBondContact O-CD 3.33Å; E1147-K1151 VanDerWaalsContact O-CG 3.27Å; E1147-K1151 WeakPolarHBondContact O-CG 3.4Å; E1147-K1151 PolarHBondContact O-N 3.27Å; E1147-K1151 VanDerWaalsContact O-N 3.16Å; E1147-K1151 WeakPolarHBondContact OE2-CE 3.28Å; E1147-K1151 IonicContact OE2-NZ 3.1Å; E1147-K1151 PolarHBondContact OE2-NZ 3.21Å; R1148-K1151 PolarHBondContact O-N 2.94Å; Y1149-K1151 VanDerWaalsContact C-N 3.28Å; Y1149-K1151 PolarHBondContact O-N 3.02Å; K1151-L1153 VanDerWaalsContact C-N 3.35Å; K1151-G1155 WeakPolarHBondContact O-CA 3.47Å; K1151-G1155 PolarHBondContact O-N 2.81Å |
| 1152 | Q | 59.4 | Low | 58.8 | Low | 106.2 Ų | 106.2 | 69.4 Ų | 69.4 | 50% | 0.496 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -84.1 | -24 | 169.9 | -72.5 | -170.8 | -13.4 | 0 | 0 | 113.2 | R1148 Y1149 L1150 | R1148-Q1152 PolarHBondContact O-N 2.79Å; R1148-Q1152 VanDerWaalsContact O-N 3.11Å; Y1149-Q1152 WeakPolarHBondContact O-CB 3.36Å; Y1149-Q1152 PolarHBondContact O-N 3.15Å; L1150-Q1152 VanDerWaalsContact C-N 3.32Å; L1150-Q1152 PolarHBondContact O-N 2.89Å |
| 1153 | L | 49.9 | Very low | 57.4 | Low | 79 Ų | 79 | 71.5 Ų | 71.5 | 41% | 0.414 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -88.5 | -26.3 | -175.6 | -67.8 | 168.8 | 0 | 0 | 0 | 113.8 | M1117 L1129 Y1149 L1150 K1151 G1155 S1158 I1163 M1166 V1209 | M1117-L1153 HydrophobicContact CE-CD1 3.97Å; M1117-L1153 HydrophobicContact CE-CG 4.43Å; M1117-L1153 HydrophobicContact SD-CD1 4.24Å; M1117-L1153 HydrophobicContact SD-CD2 4.05Å; M1117-L1153 HydrophobicContact SD-CG 4.28Å; L1129-L1153 HydrophobicContact CD2-CD1 4.06Å; Y1149-L1153 WeakPolarHBondContact O-CG 3.32Å; Y1149-L1153 PolarHBondContact O-N 2.98Å; L1150-L1153 CarbonylContact O-C 3.53Å; L1150-L1153 PolarHBondContact O-N 2.97Å; L1150-L1153 VanDerWaalsContact O-N 3.1Å; K1151-L1153 VanDerWaalsContact C-N 3.35Å; L1153-G1155 VanDerWaalsContact C-N 3.3Å; L1153-G1155 PolarHBondContact O-N 3.25Å; L1153-G1155 VanDerWaalsContact O-N 3.14Å; L1153-S1158 WeakPolarHBondContact O-CB 3.27Å; L1153-S1158 PolarHBondContact O-OG 3.01Å; L1153-I1163 HydrophobicContact CD2-CG1 4.49Å; L1153-I1163 HydrophobicContact CD2-CG2 4.24Å; L1153-I1163 WeakPolarHBondContact O-CD1 3.32Å; L1153-I1163 WeakPolarHBondContact O-CG1 3.45Å; L1153-M1166 HydrophobicContact CD2-CB 4.46Å; L1153-M1166 HydrophobicContact CD2-SD 4.28Å; L1153-V1209 HydrophobicContact CD1-CB 4.38Å; L1153-V1209 HydrophobicContact CD1-CG1 3.7Å; L1153-V1209 HydrophobicContact CD1-CG2 4.06Å; L1153-V1209 HydrophobicContact CD2-CB 4.43Å; L1153-V1209 HydrophobicContact CD2-CG1 3.95Å; L1153-V1209 HydrophobicContact CD2-CG2 4.16Å; L1153-V1209 HydrophobicContact CG-CG1 4.47Å; L1153-V1209 HydrophobicContact CG-CG2 4.38Å |
| 1154 | I | 48.7 | Very low | 55.9 | Low | 101 Ų | 101 | 69.4 Ų | 69.4 | 52% | 0.518 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -113.3 | 65.9 | -174.3 | -50.5 | 176.4 | 0 | 0 | 0 | 110.6 | L1150 M1189 L1197 I1202 I1205 | L1150-I1154 HydrophobicContact CB-CD1 4.25Å; L1150-I1154 HydrophobicContact CD2-CD1 4.33Å; L1150-I1154 WeakPolarHBondContact O-CB 2.98Å; L1150-I1154 VanDerWaalsContact O-CG1 3.28Å; L1150-I1154 WeakPolarHBondContact O-CG1 3.3Å; L1150-I1154 PolarHBondContact O-N 3.01Å; L1150-I1154 VanDerWaalsContact O-N 3.1Å; I1154-M1189 HydrophobicContact CB-SD 4.42Å; I1154-M1189 HydrophobicContact CG2-CE 4.45Å; I1154-M1189 HydrophobicContact CG2-SD 3.75Å; I1154-M1189 WeakPolarHBondContact O-CE 3.48Å; I1154-M1189 WeakPolarHBondContact O-CG 3.42Å; I1154-M1189 VanDerWaalsContact O-SD 3.36Å; I1154-L1197 HydrophobicContact CD1-CD1 4.07Å; I1154-I1202 HydrophobicContact CD1-CG1 3.99Å; I1154-I1205 HydrophobicContact CD1-CD1 3.74Å; I1154-I1205 HydrophobicContact CG1-CD1 4.34Å |
| 1155 | G | 45.4 | Very low | 54.6 | Low | 36.4 Ų | 36.4 | 74.9 Ų | 74.9 | 38% | 0.375 | 40% | 0.4 | S | S | . | . | trans | -91 | 162.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | K1151 L1153 N1157 S1158 | K1151-G1155 WeakPolarHBondContact O-CA 3.47Å; K1151-G1155 PolarHBondContact O-N 2.81Å; L1153-G1155 VanDerWaalsContact C-N 3.3Å; L1153-G1155 PolarHBondContact O-N 3.25Å; L1153-G1155 VanDerWaalsContact O-N 3.14Å; G1155-N1157 VanDerWaalsContact C-N 3.27Å; G1155-N1157 PolarHBondContact O-N 3.27Å; G1155-S1158 WeakPolarHBondContact CA-OG 3.3Å; G1155-S1158 PolarHBondContact N-OG 2.82Å; G1155-S1158 VanDerWaalsContact O-CB 3.24Å; G1155-S1158 WeakPolarHBondContact O-CB 3.35Å; G1155-S1158 PolarHBondContact O-N 2.91Å; G1155-S1158 PolarHBondContact O-OG 2.83Å | ||
| 1156 | P | 40.4 | Very low | 53 | Low | 105.4 Ų | 105.4 | 80.6 Ų | 80.6 | 68% | 0.684 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 19.7 | -158.1 | 32.4 | -34.2 | 0 | 0 | 0 | 116.4 | S1158 L1178 N1180 | P1156-S1158 VanDerWaalsContact C-N 3.31Å; P1156-S1158 PolarHBondContact O-N 2.74Å; P1156-L1178 VanDerWaalsContact CB-O 3.24Å; P1156-L1178 WeakPolarHBondContact CB-O 3.01Å; P1156-N1180 VanDerWaalsContact CD-O 3.26Å; P1156-N1180 WeakPolarHBondContact CD-O 3.11Å |
| 1157 | N | 44 | Very low | 51.5 | Low | 131.4 Ų | 131.4 | 79.4 Ų | 79.4 | 70% | 0.703 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.2 | 33 | -174.3 | -92.5 | -9.4 | 0 | 0 | 0 | 114.3 | G1155 T1159 L1178 G1182 M1189 | G1155-N1157 VanDerWaalsContact C-N 3.27Å; G1155-N1157 PolarHBondContact O-N 3.27Å; N1157-T1159 PolarHBondContact O-N 3.48Å; N1157-T1159 VanDerWaalsContact O-N 3.13Å; N1157-L1178 VanDerWaalsContact C-CD2 3.46Å; N1157-G1182 WeakPolarHBondContact ND2-CA 3.32Å; N1157-G1182 PolarHBondContact ND2-N 3.12Å; N1157-G1182 PolarHBondContact ND2-O 3.39Å; N1157-M1189 VanDerWaalsContact O-CG 3.27Å; N1157-M1189 WeakPolarHBondContact O-CG 3.17Å |
| 1158 | S | 42.6 | Very low | 50.2 | Low | 58.6 Ų | 58.6 | 79.5 Ų | 79.5 | 41% | 0.41 | 43% | 0.432 | S | S | . | . | trans | -103.6 | 129.8 | -178.2 | 37 | 0 | 0 | 0 | 0 | 112.8 | L1153 G1155 P1156 L1178 L1197 | L1153-S1158 WeakPolarHBondContact O-CB 3.27Å; L1153-S1158 PolarHBondContact O-OG 3.01Å; G1155-S1158 WeakPolarHBondContact CA-OG 3.3Å; G1155-S1158 PolarHBondContact N-OG 2.82Å; G1155-S1158 VanDerWaalsContact O-CB 3.24Å; G1155-S1158 WeakPolarHBondContact O-CB 3.35Å; G1155-S1158 PolarHBondContact O-N 2.91Å; G1155-S1158 PolarHBondContact O-OG 2.83Å; P1156-S1158 VanDerWaalsContact C-N 3.31Å; P1156-S1158 PolarHBondContact O-N 2.74Å; S1158-L1178 WeakPolarHBondContact O-CD1 3.25Å; S1158-L1197 WeakPolarHBondContact O-CD1 3.22Å | ||
| 1159 | T | 47 | Very low | 49 | Very low | 84.6 Ų | 84.6 | 85.5 Ų | 85.5 | 52% | 0.519 | 46% | 0.46 | S | S | . | . | trans | -102.1 | 161 | 176.2 | 62 | 0 | 0 | 0 | 0 | 112.8 | N1157 A1161 S1162 I1163 L1178 M1189 | N1157-T1159 PolarHBondContact O-N 3.48Å; N1157-T1159 VanDerWaalsContact O-N 3.13Å; T1159-A1161 VanDerWaalsContact C-N 3.3Å; T1159-A1161 PolarHBondContact O-N 3Å; T1159-A1161 VanDerWaalsContact O-N 3.15Å; T1159-S1162 PolarHBondContact N-OG 3.32Å; T1159-S1162 WeakPolarHBondContact O-CA 3.26Å; T1159-S1162 WeakPolarHBondContact O-CB 3.37Å; T1159-S1162 PolarHBondContact O-N 3.08Å; T1159-S1162 VanDerWaalsContact O-N 3.07Å; T1159-S1162 PolarHBondContact O-OG 3.03Å; T1159-S1162 PolarHBondContact OG1-N 3.1Å; T1159-I1163 PolarHBondContact O-N 3.21Å; T1159-I1163 VanDerWaalsContact O-N 3.15Å; T1159-L1178 HydrophobicContact CG2-CD2 3.78Å; T1159-M1189 HydrophobicContact CG2-CB 3.72Å; T1159-M1189 HydrophobicContact CG2-CG 3.97Å; T1159-M1189 HydrophobicContact CG2-SD 4.27Å; T1159-M1189 PolarHBondContact N-SD 3.2Å; T1159-M1189 PolarHBondContact OG1-O 3.48Å; T1159-M1189 PolarHBondContact OG1-SD 2.93Å | ||
| 1160 | L | 41.4 | Very low | 48.1 | Very low | 93.4 Ų | 93.4 | 91.4 Ų | 91.4 | 49% | 0.489 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63 | -33 | -163.4 | -156.4 | 77.8 | 0 | 0 | 0 | 113.8 | S1162 I1163 S1164 L1175 L1178 M1189 L1192 L1197 | L1160-S1162 VanDerWaalsContact C-N 3.32Å; L1160-S1162 PolarHBondContact O-N 3.15Å; L1160-I1163 HydrophobicContact CD1-CD1 4.16Å; L1160-I1163 WeakPolarHBondContact O-CB 3.29Å; L1160-I1163 WeakPolarHBondContact O-CD1 3.48Å; L1160-I1163 PolarHBondContact O-N 3.06Å; L1160-I1163 VanDerWaalsContact O-N 3.11Å; L1160-S1164 WeakPolarHBondContact O-CB 3.35Å; L1160-S1164 PolarHBondContact O-N 3.15Å; L1160-S1164 PolarHBondContact O-OG 3.07Å; L1160-L1175 HydrophobicContact CD1-CD1 3.96Å; L1160-L1175 HydrophobicContact CD1-CD2 4.15Å; L1160-L1175 HydrophobicContact CD1-CG 3.99Å; L1160-L1175 HydrophobicContact CD2-CD1 4.23Å; L1160-L1175 HydrophobicContact CD2-CD2 3.79Å; L1160-L1175 HydrophobicContact CD2-CG 4.5Å; L1160-L1175 HydrophobicContact CG-CD2 3.69Å; L1160-L1178 HydrophobicContact CD1-CD1 4.5Å; L1160-L1178 HydrophobicContact CD2-CD1 3.63Å; L1160-M1189 HydrophobicContact CB-CE 4.24Å; L1160-M1189 HydrophobicContact CD1-CE 4.09Å; L1160-M1189 HydrophobicContact CD2-CE 3.5Å; L1160-M1189 VanDerWaalsContact CD2-CE 3.5Å; L1160-M1189 HydrophobicContact CD2-SD 4.09Å; L1160-M1189 HydrophobicContact CG-CE 4.37Å; L1160-L1192 HydrophobicContact CD2-CD1 4.08Å; L1160-L1197 HydrophobicContact CD1-CD1 3.86Å; L1160-L1197 HydrophobicContact CD1-CD2 4.28Å |
| 1161 | A | 45.1 | Very low | 47.3 | Very low | 58.2 Ų | 58.2 | 92.8 Ų | 92.8 | 48% | 0.481 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.5 | -13.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | T1159 R1165 M1189 | T1159-A1161 VanDerWaalsContact C-N 3.3Å; T1159-A1161 PolarHBondContact O-N 3Å; T1159-A1161 VanDerWaalsContact O-N 3.15Å; A1161-R1165 WeakPolarHBondContact O-CG 3.07Å; A1161-R1165 PolarHBondContact O-NE 2.95Å; A1161-R1165 PolarHBondContact O-NH2 3.32Å; A1161-M1189 HydrophobicContact CB-CE 3.93Å |
| 1162 | S | 47.8 | Very low | 46.7 | Very low | 42.2 Ų | 42.2 | 92.8 Ų | 92.8 | 30% | 0.295 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -81.4 | -43.9 | 170.7 | -48.9 | 0 | 0 | 0 | 0 | 111.6 | T1159 L1160 S1164 R1165 M1166 | T1159-S1162 PolarHBondContact N-OG 3.32Å; T1159-S1162 WeakPolarHBondContact O-CA 3.26Å; T1159-S1162 WeakPolarHBondContact O-CB 3.37Å; T1159-S1162 PolarHBondContact O-N 3.08Å; T1159-S1162 VanDerWaalsContact O-N 3.07Å; T1159-S1162 PolarHBondContact O-OG 3.03Å; T1159-S1162 PolarHBondContact OG1-N 3.1Å; L1160-S1162 VanDerWaalsContact C-N 3.32Å; L1160-S1162 PolarHBondContact O-N 3.15Å; S1162-S1164 VanDerWaalsContact C-N 3.28Å; S1162-S1164 PolarHBondContact O-N 3.1Å; S1162-R1165 WeakPolarHBondContact O-CB 3.34Å; S1162-R1165 PolarHBondContact O-N 3.09Å; S1162-R1165 VanDerWaalsContact O-N 3.1Å; S1162-R1165 PolarHBondContact OG-NH2 3.07Å; S1162-R1165 VanDerWaalsContact OG-NH2 3.11Å; S1162-M1166 PolarHBondContact O-N 2.72Å |
| 1163 | I | 48.2 | Very low | 46.1 | Very low | 45.2 Ų | 45.2 | 92 Ų | 92 | 23% | 0.232 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 178.7 | -62.5 | 158.2 | 0 | 0 | 0 | 111 | L1153 T1159 L1160 R1165 M1166 L1167 L1175 L1197 I1205 V1209 | L1153-I1163 HydrophobicContact CD2-CG1 4.49Å; L1153-I1163 HydrophobicContact CD2-CG2 4.24Å; L1153-I1163 WeakPolarHBondContact O-CD1 3.32Å; L1153-I1163 WeakPolarHBondContact O-CG1 3.45Å; T1159-I1163 PolarHBondContact O-N 3.21Å; T1159-I1163 VanDerWaalsContact O-N 3.15Å; L1160-I1163 HydrophobicContact CD1-CD1 4.16Å; L1160-I1163 WeakPolarHBondContact O-CB 3.29Å; L1160-I1163 WeakPolarHBondContact O-CD1 3.48Å; L1160-I1163 PolarHBondContact O-N 3.06Å; L1160-I1163 VanDerWaalsContact O-N 3.11Å; I1163-R1165 PolarHBondContact O-N 3.1Å; I1163-R1165 VanDerWaalsContact O-N 3.08Å; I1163-M1166 WeakPolarHBondContact O-CB 3.37Å; I1163-M1166 PolarHBondContact O-N 3.04Å; I1163-L1167 HydrophobicContact CG2-CD1 4.13Å; I1163-L1167 HydrophobicContact CG2-CG 4.39Å; I1163-L1167 PolarHBondContact O-N 2.62Å; I1163-L1167 VanDerWaalsContact O-N 3.11Å; I1163-L1175 HydrophobicContact CG2-CD1 4.34Å; I1163-L1197 HydrophobicContact CD1-CB 3.77Å; I1163-L1197 HydrophobicContact CD1-CD1 3.98Å; I1163-L1197 HydrophobicContact CG1-CB 4.13Å; I1163-I1205 HydrophobicContact CG2-CD1 4.46Å; I1163-V1209 HydrophobicContact CG2-CG2 4.11Å |
| 1164 | S | 45.6 | Very low | 45.7 | Very low | 61.4 Ų | 61.4 | 91.5 Ų | 91.5 | 43% | 0.429 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.6 | -14.8 | 176.8 | -96.9 | 0 | 0 | 0 | 0 | 114.5 | L1160 S1162 K1172 | L1160-S1164 WeakPolarHBondContact O-CB 3.35Å; L1160-S1164 PolarHBondContact O-N 3.15Å; L1160-S1164 PolarHBondContact O-OG 3.07Å; S1162-S1164 VanDerWaalsContact C-N 3.28Å; S1162-S1164 PolarHBondContact O-N 3.1Å; S1164-K1172 WeakPolarHBondContact O-CG 3.17Å; S1164-K1172 PolarHBondContact O-NZ 2.84Å |
| 1165 | R | 50.9 | Low | 45.5 | Very low | 188 Ų | 188 | 90.5 Ų | 90.5 | 71% | 0.709 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -91.4 | -13.3 | 174.2 | -76.6 | 178.2 | -76.9 | 159.8 | -2 | 113.8 | A1161 S1162 I1163 K1172 | A1161-R1165 WeakPolarHBondContact O-CG 3.07Å; A1161-R1165 PolarHBondContact O-NE 2.95Å; A1161-R1165 PolarHBondContact O-NH2 3.32Å; S1162-R1165 WeakPolarHBondContact O-CB 3.34Å; S1162-R1165 PolarHBondContact O-N 3.09Å; S1162-R1165 VanDerWaalsContact O-N 3.1Å; S1162-R1165 PolarHBondContact OG-NH2 3.07Å; S1162-R1165 VanDerWaalsContact OG-NH2 3.11Å; I1163-R1165 PolarHBondContact O-N 3.1Å; I1163-R1165 VanDerWaalsContact O-N 3.08Å; R1165-K1172 PolarHBondContact O-NZ 2.71Å |
| 1166 | M | 44.7 | Very low | 45.4 | Very low | 122.2 Ų | 122.2 | 91.9 Ų | 91.9 | 60% | 0.602 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -96.3 | -13.4 | -178.4 | -65.2 | 177.6 | 137.8 | 0 | 0 | 113.8 | M1117 S1118 L1153 S1162 I1163 L1197 I1202 | M1117-M1166 WeakPolarHBondContact CB-O 3.31Å; S1118-M1166 PolarHBondContact N-O 3Å; L1153-M1166 HydrophobicContact CD2-CB 4.46Å; L1153-M1166 HydrophobicContact CD2-SD 4.28Å; S1162-M1166 PolarHBondContact O-N 2.72Å; I1163-M1166 WeakPolarHBondContact O-CB 3.37Å; I1163-M1166 PolarHBondContact O-N 3.04Å; M1166-L1197 HydrophobicContact CE-CB 4.4Å; M1166-L1197 HydrophobicContact CE-CD1 4.32Å; M1166-I1202 HydrophobicContact CE-CD1 4.15Å |
| 1167 | L | 45.6 | Very low | 45.5 | Very low | 45.4 Ų | 45.4 | 92.5 Ų | 92.5 | 24% | 0.238 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -88 | 147.3 | -178.6 | -72.8 | 166.8 | 0 | 0 | 0 | 113.2 | M1117 F1143 I1163 M1171 K1172 L1175 V1209 | M1117-L1167 HydrophobicContact SD-CD2 4.15Å; F1143-L1167 HydrophobicContact CE1-CD2 4.33Å; F1143-L1167 HydrophobicContact CZ-CD2 4.19Å; I1163-L1167 HydrophobicContact CG2-CD1 4.13Å; I1163-L1167 HydrophobicContact CG2-CG 4.39Å; I1163-L1167 PolarHBondContact O-N 2.62Å; I1163-L1167 VanDerWaalsContact O-N 3.11Å; L1167-M1171 HydrophobicContact CB-CB 4.38Å; L1167-M1171 HydrophobicContact CD2-CB 4.49Å; L1167-M1171 HydrophobicContact CD2-SD 4.16Å; L1167-K1172 HydrophobicContact CB-CG 4.45Å; L1167-K1172 WeakPolarHBondContact O-CE 3.45Å; L1167-K1172 PolarHBondContact O-NZ 2.88Å; L1167-L1175 HydrophobicContact CD1-CD1 3.66Å; L1167-L1175 HydrophobicContact CD1-CD2 3.65Å; L1167-L1175 HydrophobicContact CD1-CG 4.3Å; L1167-V1209 HydrophobicContact CD1-CG1 3.91Å; L1167-V1209 HydrophobicContact CD2-CG1 3.91Å |
| 1168 | P | 44 | Very low | 45.5 | Very low | 60.4 Ų | 60.4 | 89.1 Ų | 89.1 | 39% | 0.392 | 48% | 0.484 | S | S | . | . | trans | -55.3 | 156.6 | 166.1 | -24 | 34.1 | 0 | 0 | 0 | 112.9 | I1125 D1170 M1171 K1172 | I1125-P1168 HydrophobicContact CD1-CG 3.22Å; P1168-D1170 VanDerWaalsContact CB-OD1 3.27Å; P1168-D1170 WeakPolarHBondContact CB-OD1 3.48Å; P1168-D1170 WeakPolarHBondContact CB-OD2 3.46Å; P1168-D1170 PolarHBondContact O-N 3.13Å; P1168-M1171 HydrophobicContact CB-CB 4.45Å; P1168-M1171 HydrophobicContact CB-CG 4.31Å; P1168-M1171 HydrophobicContact CG-CG 4.38Å; P1168-M1171 HydrophobicContact CG-SD 4.25Å; P1168-M1171 PolarHBondContact O-N 3.24Å; P1168-M1171 VanDerWaalsContact O-N 3.1Å; P1168-K1172 WeakPolarHBondContact O-CE 3.28Å; P1168-K1172 WeakPolarHBondContact O-CG 3.31Å; P1168-K1172 PolarHBondContact O-N 3.08Å | ||
| 1169 | K | 49.7 | Very low | 45.6 | Very low | 190.6 Ų | 190.6 | 91.2 Ų | 91.2 | 83% | 0.829 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -62.7 | -24.6 | -174.2 | -72.5 | -176 | 176.7 | 179.4 | 0 | 113.6 | M1171 K1172 | K1169-M1171 VanDerWaalsContact C-N 3.28Å; K1169-M1171 PolarHBondContact O-N 3.19Å; K1169-K1172 WeakPolarHBondContact O-CB 3.14Å; K1169-K1172 WeakPolarHBondContact O-CE 3.46Å; K1169-K1172 WeakPolarHBondContact O-CG 3.42Å; K1169-K1172 PolarHBondContact O-N 3.09Å; K1169-K1172 VanDerWaalsContact O-N 3.11Å |
| 1170 | D | 49.1 | Very low | 45.5 | Very low | 129.2 Ų | 129.2 | 93.6 Ų | 93.6 | 69% | 0.691 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -85.5 | -19.3 | -170.9 | 9.1 | -63.5 | 0 | 0 | 0 | 113.3 | P1122 P1168 K1172 S1173 | P1122-D1170 HydrophobicContact CG-CB 4.15Å; P1122-D1170 WeakPolarHBondContact CG-OD2 3.4Å; P1168-D1170 VanDerWaalsContact CB-OD1 3.27Å; P1168-D1170 WeakPolarHBondContact CB-OD1 3.48Å; P1168-D1170 WeakPolarHBondContact CB-OD2 3.46Å; P1168-D1170 PolarHBondContact O-N 3.13Å; D1170-K1172 VanDerWaalsContact C-N 3.31Å; D1170-K1172 PolarHBondContact O-N 3.21Å; D1170-S1173 PolarHBondContact O-OG 2.82Å |
| 1171 | M | 44.6 | Very low | 45.5 | Very low | 72.6 Ų | 72.6 | 92.6 Ų | 92.6 | 36% | 0.358 | 52% | 0.516 | S | S | . | . | G | 310 helix | trans | -94.5 | 36.5 | 176.9 | -74.6 | -174.3 | 162.4 | 0 | 0 | 114 | P1122 I1125 E1126 L1167 P1168 K1169 S1173 P1174 V1206 T1210 | P1122-M1171 HydrophobicContact CB-CE 4.32Å; P1122-M1171 WeakPolarHBondContact O-CE 3.5Å; I1125-M1171 HydrophobicContact CB-CE 4.19Å; I1125-M1171 HydrophobicContact CB-SD 4.2Å; I1125-M1171 HydrophobicContact CG2-CE 4.2Å; I1125-M1171 HydrophobicContact CG2-SD 3.86Å; E1126-M1171 HydrophobicContact CB-CE 3.86Å; L1167-M1171 HydrophobicContact CB-CB 4.38Å; L1167-M1171 HydrophobicContact CD2-CB 4.49Å; L1167-M1171 HydrophobicContact CD2-SD 4.16Å; P1168-M1171 HydrophobicContact CB-CB 4.45Å; P1168-M1171 HydrophobicContact CB-CG 4.31Å; P1168-M1171 HydrophobicContact CG-CG 4.38Å; P1168-M1171 HydrophobicContact CG-SD 4.25Å; P1168-M1171 PolarHBondContact O-N 3.24Å; P1168-M1171 VanDerWaalsContact O-N 3.1Å; K1169-M1171 VanDerWaalsContact C-N 3.28Å; K1169-M1171 PolarHBondContact O-N 3.19Å; M1171-S1173 VanDerWaalsContact C-N 3.33Å; M1171-P1174 WeakPolarHBondContact O-CD 3.19Å; M1171-V1206 HydrophobicContact CE-CG1 4.24Å; M1171-T1210 HydrophobicContact CE-CG2 4.15Å |
| 1172 | K | 47 | Very low | 45.7 | Very low | 138.2 Ų | 138.2 | 91.8 Ų | 91.8 | 60% | 0.601 | 51% | 0.513 | S | S | * | . | trans | -93.2 | -4.7 | -178.5 | -69.4 | -176.3 | -177.4 | -156.2 | 0 | 114.1 | S1164 R1165 L1167 P1168 K1169 D1170 L1175 S1176 | S1164-K1172 WeakPolarHBondContact O-CG 3.17Å; S1164-K1172 PolarHBondContact O-NZ 2.84Å; R1165-K1172 PolarHBondContact O-NZ 2.71Å; L1167-K1172 HydrophobicContact CB-CG 4.45Å; L1167-K1172 WeakPolarHBondContact O-CE 3.45Å; L1167-K1172 PolarHBondContact O-NZ 2.88Å; P1168-K1172 WeakPolarHBondContact O-CE 3.28Å; P1168-K1172 WeakPolarHBondContact O-CG 3.31Å; P1168-K1172 PolarHBondContact O-N 3.08Å; K1169-K1172 WeakPolarHBondContact O-CB 3.14Å; K1169-K1172 WeakPolarHBondContact O-CE 3.46Å; K1169-K1172 WeakPolarHBondContact O-CG 3.42Å; K1169-K1172 PolarHBondContact O-N 3.09Å; K1169-K1172 VanDerWaalsContact O-N 3.11Å; D1170-K1172 VanDerWaalsContact C-N 3.31Å; D1170-K1172 PolarHBondContact O-N 3.21Å; K1172-L1175 CarbonylContact O-C 3.5Å; K1172-L1175 WeakPolarHBondContact O-CA 3.39Å; K1172-L1175 PolarHBondContact O-N 3.04Å; K1172-S1176 PolarHBondContact O-N 3.39Å; K1172-S1176 PolarHBondContact O-OG 3.04Å | ||
| 1173 | S | 46.1 | Very low | 45.8 | Very low | 89.6 Ų | 89.6 | 93.8 Ų | 93.8 | 63% | 0.627 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -86.9 | -41.2 | -172.2 | 53.8 | 0 | 0 | 0 | 0 | 116 | D1170 M1171 S1176 | D1170-S1173 PolarHBondContact O-OG 2.82Å; M1171-S1173 VanDerWaalsContact C-N 3.33Å; S1173-S1176 WeakPolarHBondContact CA-OG 3.3Å; S1173-S1176 PolarHBondContact O-N 2.71Å; S1173-S1176 PolarHBondContact O-OG 3.03Å |
| 1174 | P | 42.7 | Very low | 45.9 | Very low | 67.6 Ų | 67.6 | 94.4 Ų | 94.4 | 44% | 0.439 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -93.7 | 12.7 | -171.3 | 6.2 | 10.7 | 0 | 0 | 0 | 112.9 | M1171 S1176 N1177 V1209 | M1171-P1174 WeakPolarHBondContact O-CD 3.19Å; P1174-S1176 VanDerWaalsContact C-N 3.29Å; P1174-S1176 PolarHBondContact O-N 2.93Å; P1174-S1176 VanDerWaalsContact O-N 3.12Å; P1174-N1177 WeakPolarHBondContact O-CB 3.42Å; P1174-N1177 PolarHBondContact O-N 2.87Å; P1174-V1209 HydrophobicContact CB-CG1 4.08Å; P1174-V1209 HydrophobicContact CG-CG1 4.1Å |
| 1175 | L | 42.8 | Very low | 46.4 | Very low | 79.2 Ų | 79.2 | 93.7 Ų | 93.7 | 42% | 0.415 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -97.5 | -3.1 | 179.3 | -94 | 111.2 | 0 | 0 | 0 | 112.6 | L1160 I1163 L1167 K1172 N1177 L1178 T1179 V1209 | L1160-L1175 HydrophobicContact CD1-CD1 3.96Å; L1160-L1175 HydrophobicContact CD1-CD2 4.15Å; L1160-L1175 HydrophobicContact CD1-CG 3.99Å; L1160-L1175 HydrophobicContact CD2-CD1 4.23Å; L1160-L1175 HydrophobicContact CD2-CD2 3.79Å; L1160-L1175 HydrophobicContact CD2-CG 4.5Å; L1160-L1175 HydrophobicContact CG-CD2 3.69Å; I1163-L1175 HydrophobicContact CG2-CD1 4.34Å; L1167-L1175 HydrophobicContact CD1-CD1 3.66Å; L1167-L1175 HydrophobicContact CD1-CD2 3.65Å; L1167-L1175 HydrophobicContact CD1-CG 4.3Å; K1172-L1175 CarbonylContact O-C 3.5Å; K1172-L1175 WeakPolarHBondContact O-CA 3.39Å; K1172-L1175 PolarHBondContact O-N 3.04Å; L1175-N1177 VanDerWaalsContact C-N 3.31Å; L1175-N1177 PolarHBondContact O-N 2.99Å; L1175-L1178 WeakPolarHBondContact O-CB 3.49Å; L1175-L1178 PolarHBondContact O-N 3.07Å; L1175-T1179 PolarHBondContact O-N 3.05Å; L1175-V1209 HydrophobicContact CD1-CG1 3.87Å; L1175-V1209 HydrophobicContact CD1-CG2 4.1Å |
| 1176 | S | 44 | Very low | 46.7 | Very low | 67.4 Ų | 67.4 | 86.2 Ų | 86.2 | 47% | 0.471 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -80.5 | -20.5 | 178.7 | 56.5 | 0 | 0 | 0 | 0 | 113.7 | K1172 S1173 P1174 L1178 T1179 N1180 | K1172-S1176 PolarHBondContact O-N 3.39Å; K1172-S1176 PolarHBondContact O-OG 3.04Å; S1173-S1176 WeakPolarHBondContact CA-OG 3.3Å; S1173-S1176 PolarHBondContact O-N 2.71Å; S1173-S1176 PolarHBondContact O-OG 3.03Å; P1174-S1176 VanDerWaalsContact C-N 3.29Å; P1174-S1176 PolarHBondContact O-N 2.93Å; P1174-S1176 VanDerWaalsContact O-N 3.12Å; S1176-L1178 VanDerWaalsContact C-N 3.32Å; S1176-L1178 PolarHBondContact O-N 2.94Å; S1176-T1179 WeakPolarHBondContact CA-OG1 3.32Å; S1176-T1179 PolarHBondContact O-N 2.8Å; S1176-T1179 PolarHBondContact O-OG1 2.81Å; S1176-T1179 VanDerWaalsContact O-OG1 3.06Å; S1176-N1180 WeakPolarHBondContact O-CB 3.37Å; S1176-N1180 PolarHBondContact O-N 2.76Å; S1176-N1180 VanDerWaalsContact O-N 3.09Å; S1176-N1180 PolarHBondContact O-ND2 3.02Å; S1176-N1180 VanDerWaalsContact O-ND2 3.08Å; S1176-N1180 PolarHBondContact O-OD1 3.34Å |
| 1177 | N | 43.8 | Very low | 47.4 | Very low | 116.4 Ų | 116.4 | 80.5 Ų | 80.5 | 62% | 0.622 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -74.4 | -11.4 | 176.7 | -66.2 | -7.6 | 0 | 0 | 0 | 113 | P1174 L1175 T1179 N1180 G1181 G1182 | P1174-N1177 WeakPolarHBondContact O-CB 3.42Å; P1174-N1177 PolarHBondContact O-N 2.87Å; L1175-N1177 VanDerWaalsContact C-N 3.31Å; L1175-N1177 PolarHBondContact O-N 2.99Å; N1177-T1179 VanDerWaalsContact C-N 3.3Å; N1177-T1179 PolarHBondContact O-N 2.98Å; N1177-N1180 CarbonylContact O-C 3.49Å; N1177-N1180 WeakPolarHBondContact O-CA 3.13Å; N1177-N1180 PolarHBondContact O-N 3.01Å; N1177-G1181 PolarHBondContact O-N 2.89Å; N1177-G1182 WeakPolarHBondContact O-CA 3.37Å; N1177-G1182 PolarHBondContact O-N 3.35Å |
| 1178 | L | 43.3 | Very low | 48.3 | Very low | 60 Ų | 60 | 80.9 Ų | 80.9 | 31% | 0.314 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -80.5 | -27.6 | 170.8 | -99.7 | 157.8 | 0 | 0 | 0 | 111.7 | P1156 N1157 S1158 T1159 L1160 L1175 S1176 N1180 G1181 L1184 L1187 M1189 L1192 | P1156-L1178 VanDerWaalsContact CB-O 3.24Å; P1156-L1178 WeakPolarHBondContact CB-O 3.01Å; N1157-L1178 VanDerWaalsContact C-CD2 3.46Å; S1158-L1178 WeakPolarHBondContact O-CD1 3.25Å; T1159-L1178 HydrophobicContact CG2-CD2 3.78Å; L1160-L1178 HydrophobicContact CD1-CD1 4.5Å; L1160-L1178 HydrophobicContact CD2-CD1 3.63Å; L1175-L1178 WeakPolarHBondContact O-CB 3.49Å; L1175-L1178 PolarHBondContact O-N 3.07Å; S1176-L1178 VanDerWaalsContact C-N 3.32Å; S1176-L1178 PolarHBondContact O-N 2.94Å; L1178-N1180 VanDerWaalsContact C-N 3.27Å; L1178-N1180 PolarHBondContact O-N 3.24Å; L1178-G1181 PolarHBondContact O-N 3.24Å; L1178-L1184 HydrophobicContact CD1-CB 3.97Å; L1178-L1184 HydrophobicContact CD1-CD1 4.45Å; L1178-L1184 HydrophobicContact CD1-CD2 3.81Å; L1178-L1184 HydrophobicContact CD1-CG 4.35Å; L1178-L1184 HydrophobicContact CD2-CB 4Å; L1178-L1184 HydrophobicContact CD2-CD1 4.42Å; L1178-L1184 HydrophobicContact CG-CB 3.71Å; L1178-L1187 WeakPolarHBondContact CD2-O 3.39Å; L1178-M1189 HydrophobicContact CB-SD 4.18Å; L1178-M1189 HydrophobicContact CD2-CG 4.21Å; L1178-M1189 HydrophobicContact CD2-SD 4.09Å; L1178-L1192 HydrophobicContact CD1-CD1 3.67Å; L1178-L1192 HydrophobicContact CD2-CD1 3.83Å; L1178-L1192 HydrophobicContact CG-CD1 4.43Å |
| 1179 | T | 44.1 | Very low | 48.7 | Very low | 103.2 Ų | 103.2 | 81 Ų | 81 | 63% | 0.633 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | 1.4 | -179 | 51 | 0 | 0 | 0 | 0 | 113.7 | L1175 S1176 N1177 M1189 | L1175-T1179 PolarHBondContact O-N 3.05Å; S1176-T1179 WeakPolarHBondContact CA-OG1 3.32Å; S1176-T1179 PolarHBondContact O-N 2.8Å; S1176-T1179 PolarHBondContact O-OG1 2.81Å; S1176-T1179 VanDerWaalsContact O-OG1 3.06Å; N1177-T1179 VanDerWaalsContact C-N 3.3Å; N1177-T1179 PolarHBondContact O-N 2.98Å; T1179-M1189 HydrophobicContact CG2-CE 4.45Å |
| 1180 | N | 44.2 | Very low | 49.3 | Very low | 136.2 Ų | 136.2 | 79 Ų | 79 | 73% | 0.728 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.1 | 39.7 | 176.5 | -71.1 | -7.9 | 0 | 0 | 0 | 112.4 | P1156 S1176 N1177 L1178 G1182 | P1156-N1180 VanDerWaalsContact CD-O 3.26Å; P1156-N1180 WeakPolarHBondContact CD-O 3.11Å; S1176-N1180 WeakPolarHBondContact O-CB 3.37Å; S1176-N1180 PolarHBondContact O-N 2.76Å; S1176-N1180 VanDerWaalsContact O-N 3.09Å; S1176-N1180 PolarHBondContact O-ND2 3.02Å; S1176-N1180 VanDerWaalsContact O-ND2 3.08Å; S1176-N1180 PolarHBondContact O-OD1 3.34Å; N1177-N1180 CarbonylContact O-C 3.49Å; N1177-N1180 WeakPolarHBondContact O-CA 3.13Å; N1177-N1180 PolarHBondContact O-N 3.01Å; L1178-N1180 VanDerWaalsContact C-N 3.27Å; L1178-N1180 PolarHBondContact O-N 3.24Å; N1180-G1182 PolarHBondContact O-N 3.36Å |
| 1181 | G | 42.7 | Very low | 50 | Low | 71.4 Ų | 71.4 | 74 Ų | 74 | 74% | 0.736 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84 | 21.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | N1177 L1178 | N1177-G1181 PolarHBondContact O-N 2.89Å; L1178-G1181 PolarHBondContact O-N 3.24Å |
| 1182 | G | 49 | Very low | 50.7 | Low | 40.8 Ų | 40.8 | 71.5 Ų | 71.5 | 42% | 0.421 | 43% | 0.426 | S | S | . | . | trans | -88.5 | 152.1 | 171 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1157 N1177 N1180 | N1157-G1182 WeakPolarHBondContact ND2-CA 3.32Å; N1157-G1182 PolarHBondContact ND2-N 3.12Å; N1157-G1182 PolarHBondContact ND2-O 3.39Å; N1177-G1182 WeakPolarHBondContact O-CA 3.37Å; N1177-G1182 PolarHBondContact O-N 3.35Å; N1180-G1182 PolarHBondContact O-N 3.36Å | ||
| 1183 | T | 50.8 | Low | 51.1 | Low | 85.6 Ų | 85.6 | 70.9 Ų | 70.9 | 53% | 0.525 | 43% | 0.425 | S | S | . | . | trans | -104.3 | 146.9 | 178.6 | 55.1 | 0 | 0 | 0 | 0 | 112.3 | G1186 L1187 T1188 | T1183-G1186 WeakPolarHBondContact OG1-CA 3.45Å; T1183-L1187 CarbonylContact C-O 3.47Å; T1183-L1187 VanDerWaalsContact CA-O 3.25Å; T1183-L1187 WeakPolarHBondContact CA-O 3.32Å; T1183-L1187 VanDerWaalsContact CB-O 3.27Å; T1183-L1187 WeakPolarHBondContact CB-O 3.25Å; T1183-T1188 HydrophobicContact CG2-CG2 4.2Å | ||
| 1184 | L | 50.2 | Low | 51.7 | Low | 58 Ų | 58 | 74.1 Ų | 74.1 | 30% | 0.304 | 44% | 0.435 | S | S | . | . | B | Isolated β-bridge | trans | -102.9 | 113.8 | 173 | -172.7 | 71 | 0 | 0 | 0 | 108.7 | L1178 G1186 L1187 L1192 L1208 | L1178-L1184 HydrophobicContact CD1-CB 3.97Å; L1178-L1184 HydrophobicContact CD1-CD1 4.45Å; L1178-L1184 HydrophobicContact CD1-CD2 3.81Å; L1178-L1184 HydrophobicContact CD1-CG 4.35Å; L1178-L1184 HydrophobicContact CD2-CB 4Å; L1178-L1184 HydrophobicContact CD2-CD1 4.42Å; L1178-L1184 HydrophobicContact CG-CB 3.71Å; L1184-G1186 PolarHBondContact O-N 3.1Å; L1184-G1186 VanDerWaalsContact O-N 3.13Å; L1184-L1187 PolarHBondContact N-O 3.04Å; L1184-L1187 WeakPolarHBondContact O-CA 3.23Å; L1184-L1187 VanDerWaalsContact O-CB 3.23Å; L1184-L1187 WeakPolarHBondContact O-CB 3.22Å; L1184-L1187 VanDerWaalsContact O-CG 3.3Å; L1184-L1187 WeakPolarHBondContact O-CG 3.33Å; L1184-L1187 PolarHBondContact O-N 3.06Å; L1184-L1192 HydrophobicContact CB-CD1 4.35Å; L1184-L1192 HydrophobicContact CD2-CD1 4.15Å; L1184-L1208 HydrophobicContact CD1-CB 4.3Å; L1184-L1208 WeakPolarHBondContact CD1-O 3.09Å; L1184-L1208 HydrophobicContact CD2-CB 4.46Å; L1184-L1208 HydrophobicContact CD2-CD2 3.99Å; L1184-L1208 HydrophobicContact CG-CD2 4.18Å |
| 1185 | M | 54.4 | Low | 52.5 | Low | 45.6 Ų | 45.6 | 72.4 Ų | 72.4 | 23% | 0.225 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 29.9 | -170.4 | -61.4 | -163.3 | -168.7 | 0 | 0 | 114.2 | L1187 L1208 K1212 P1214 F1216 I1227 N1231 L1234 L1238 | M1185-L1187 VanDerWaalsContact C-N 3.33Å; M1185-L1187 HydrophobicContact CB-CG 4.35Å; M1185-L1187 PolarHBondContact O-N 3.07Å; M1185-L1187 VanDerWaalsContact O-N 3.11Å; M1185-L1208 HydrophobicContact CE-CD1 3.74Å; M1185-L1208 HydrophobicContact CE-CD2 3.54Å; M1185-L1208 HydrophobicContact CE-CG 4.28Å; M1185-L1208 HydrophobicContact CG-CD2 4.16Å; M1185-L1208 HydrophobicContact SD-CD2 3.56Å; M1185-L1208 VanDerWaalsContact SD-CD2 3.56Å; M1185-K1212 VanDerWaalsContact CE-O 3.28Å; M1185-K1212 WeakPolarHBondContact CE-O 3.31Å; M1185-P1214 VanDerWaalsContact CE-CD 3.49Å; M1185-P1214 HydrophobicContact CE-CG 4.1Å; M1185-F1216 HydrophobicContact SD-CE1 4.02Å; M1185-F1216 HydrophobicContact SD-CZ 3.81Å; M1185-I1227 HydrophobicContact CE-CD1 4.09Å; M1185-I1227 HydrophobicContact SD-CD1 3.56Å; M1185-I1227 VanDerWaalsContact SD-CD1 3.51Å; M1185-I1227 HydrophobicContact SD-CG1 3.94Å; M1185-I1227 HydrophobicContact SD-CG2 3.95Å; M1185-N1231 VanDerWaalsContact C-ND2 3.25Å; M1185-N1231 WeakPolarHBondContact O-CB 3.48Å; M1185-N1231 PolarHBondContact O-ND2 3.1Å; M1185-L1234 VanDerWaalsContact C-CD2 3.42Å; M1185-L1234 HydrophobicContact CB-CD2 3.68Å; M1185-L1234 HydrophobicContact CG-CD2 4.04Å; M1185-L1234 WeakPolarHBondContact O-CD2 3.44Å; M1185-L1234 HydrophobicContact SD-CD2 3.79Å; M1185-L1238 HydrophobicContact CE-CD1 4.44Å; M1185-L1238 HydrophobicContact SD-CD1 4.44Å |
| 1186 | G | 57.4 | Low | 53.3 | Low | 29.6 Ų | 29.6 | 73 Ų | 73 | 31% | 0.305 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | -4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115 | T1183 L1184 T1188 N1231 | T1183-G1186 WeakPolarHBondContact OG1-CA 3.45Å; L1184-G1186 PolarHBondContact O-N 3.1Å; L1184-G1186 VanDerWaalsContact O-N 3.13Å; G1186-T1188 PolarHBondContact O-N 3.28Å; G1186-N1231 WeakPolarHBondContact CA-ND2 3.44Å; G1186-N1231 PolarHBondContact N-ND2 3.28Å |
| 1187 | L | 61.1 | Low | 53.8 | Low | 4 Ų | 4 | 72.5 Ų | 72.5 | 2% | 0.021 | 42% | 0.418 | C | S | . | . | B | Isolated β-bridge | trans | -76.9 | 133.7 | 170.7 | -53.6 | 177.5 | 0 | 0 | 0 | 110.1 | L1178 T1183 L1184 M1185 D1191 L1192 L1223 L1226 I1227 K1230 | L1178-L1187 WeakPolarHBondContact CD2-O 3.39Å; T1183-L1187 CarbonylContact C-O 3.47Å; T1183-L1187 VanDerWaalsContact CA-O 3.25Å; T1183-L1187 WeakPolarHBondContact CA-O 3.32Å; T1183-L1187 VanDerWaalsContact CB-O 3.27Å; T1183-L1187 WeakPolarHBondContact CB-O 3.25Å; L1184-L1187 PolarHBondContact N-O 3.04Å; L1184-L1187 WeakPolarHBondContact O-CA 3.23Å; L1184-L1187 VanDerWaalsContact O-CB 3.23Å; L1184-L1187 WeakPolarHBondContact O-CB 3.22Å; L1184-L1187 VanDerWaalsContact O-CG 3.3Å; L1184-L1187 WeakPolarHBondContact O-CG 3.33Å; L1184-L1187 PolarHBondContact O-N 3.06Å; M1185-L1187 VanDerWaalsContact C-N 3.33Å; M1185-L1187 HydrophobicContact CB-CG 4.35Å; M1185-L1187 PolarHBondContact O-N 3.07Å; M1185-L1187 VanDerWaalsContact O-N 3.11Å; L1187-D1191 HydrophobicContact CB-CB 4.19Å; L1187-D1191 HydrophobicContact CD2-CB 4.32Å; L1187-L1192 HydrophobicContact CB-CD2 4.26Å; L1187-L1192 HydrophobicContact CB-CG 4.3Å; L1187-L1192 HydrophobicContact CD1-CD2 3.83Å; L1187-L1192 HydrophobicContact CD1-CG 4.42Å; L1187-L1223 HydrophobicContact CD1-CD1 3.78Å; L1187-L1226 HydrophobicContact CD1-CD2 4.01Å; L1187-L1226 HydrophobicContact CD1-CG 4.26Å; L1187-L1226 HydrophobicContact CD2-CD2 4.01Å; L1187-L1226 HydrophobicContact CD2-CG 3.86Å; L1187-L1226 HydrophobicContact CG-CD2 4.38Å; L1187-I1227 HydrophobicContact CD1-CD1 4.39Å; L1187-I1227 HydrophobicContact CD1-CG1 4.09Å; L1187-I1227 HydrophobicContact CD2-CG1 4.13Å; L1187-I1227 HydrophobicContact CG-CG1 4.02Å; L1187-K1230 HydrophobicContact CD2-CB 3.78Å; L1187-K1230 HydrophobicContact CD2-CG 4.08Å |
| 1188 | T | 62.6 | Low | 54.3 | Low | 52.8 Ų | 52.8 | 72.4 Ų | 72.4 | 32% | 0.324 | 42% | 0.417 | S | S | . | . | trans | -81.2 | 170 | 170.9 | 69.5 | 0 | 0 | 0 | 0 | 111 | T1183 G1186 E1190 D1191 L1192 | T1183-T1188 HydrophobicContact CG2-CG2 4.2Å; G1186-T1188 PolarHBondContact O-N 3.28Å; T1188-E1190 PolarHBondContact O-N 2.84Å; T1188-E1190 PolarHBondContact OG1-N 3.12Å; T1188-D1191 WeakPolarHBondContact CB-OD2 3.31Å; T1188-D1191 PolarHBondContact N-OD2 3.01Å; T1188-D1191 VanDerWaalsContact N-OD2 3.16Å; T1188-D1191 WeakPolarHBondContact O-CB 3.29Å; T1188-D1191 PolarHBondContact O-N 3.2Å; T1188-D1191 VanDerWaalsContact OG1-CG 3.24Å; T1188-D1191 PolarHBondContact OG1-N 3.15Å; T1188-D1191 VanDerWaalsContact OG1-N 3.16Å; T1188-D1191 PolarHBondContact OG1-OD2 3.03Å; T1188-D1191 VanDerWaalsContact OG1-OD2 3.1Å; T1188-L1192 WeakPolarHBondContact O-CG 3.35Å; T1188-L1192 PolarHBondContact O-N 3.03Å | ||
| 1189 | M | 53.2 | Low | 55 | Low | 63.2 Ų | 63.2 | 72.4 Ų | 72.4 | 31% | 0.311 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -7.4 | 172 | -115.1 | -18.2 | -179.9 | 0 | 0 | 113.8 | I1154 N1157 T1159 L1160 A1161 L1178 T1179 L1192 Q1193 | I1154-M1189 HydrophobicContact CB-SD 4.42Å; I1154-M1189 HydrophobicContact CG2-CE 4.45Å; I1154-M1189 HydrophobicContact CG2-SD 3.75Å; I1154-M1189 WeakPolarHBondContact O-CE 3.48Å; I1154-M1189 WeakPolarHBondContact O-CG 3.42Å; I1154-M1189 VanDerWaalsContact O-SD 3.36Å; N1157-M1189 VanDerWaalsContact O-CG 3.27Å; N1157-M1189 WeakPolarHBondContact O-CG 3.17Å; T1159-M1189 HydrophobicContact CG2-CB 3.72Å; T1159-M1189 HydrophobicContact CG2-CG 3.97Å; T1159-M1189 HydrophobicContact CG2-SD 4.27Å; T1159-M1189 PolarHBondContact N-SD 3.2Å; T1159-M1189 PolarHBondContact OG1-O 3.48Å; T1159-M1189 PolarHBondContact OG1-SD 2.93Å; L1160-M1189 HydrophobicContact CB-CE 4.24Å; L1160-M1189 HydrophobicContact CD1-CE 4.09Å; L1160-M1189 HydrophobicContact CD2-CE 3.5Å; L1160-M1189 VanDerWaalsContact CD2-CE 3.5Å; L1160-M1189 HydrophobicContact CD2-SD 4.09Å; L1160-M1189 HydrophobicContact CG-CE 4.37Å; A1161-M1189 HydrophobicContact CB-CE 3.93Å; L1178-M1189 HydrophobicContact CB-SD 4.18Å; L1178-M1189 HydrophobicContact CD2-CG 4.21Å; L1178-M1189 HydrophobicContact CD2-SD 4.09Å; T1179-M1189 HydrophobicContact CG2-CE 4.45Å; M1189-L1192 HydrophobicContact CE-CB 4.13Å; M1189-L1192 HydrophobicContact CE-CD1 3.72Å; M1189-L1192 HydrophobicContact CG-CD1 4.48Å; M1189-L1192 HydrophobicContact SD-CB 4.04Å; M1189-L1192 HydrophobicContact SD-CD1 4.07Å; M1189-Q1193 VanDerWaalsContact O-CG 3.28Å; M1189-Q1193 WeakPolarHBondContact O-CG 3.31Å; M1189-Q1193 PolarHBondContact O-N 3.31Å; M1189-Q1193 PolarHBondContact O-NE2 3.09Å |
| 1190 | E | 62.2 | Low | 55.8 | Low | 149 Ų | 149 | 68.3 Ų | 68.3 | 70% | 0.696 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -40.6 | 166 | -65.4 | -172.3 | 135.9 | 0 | 0 | 111 | T1188 L1192 Q1193 | T1188-E1190 PolarHBondContact O-N 2.84Å; T1188-E1190 PolarHBondContact OG1-N 3.12Å; E1190-L1192 VanDerWaalsContact C-N 3.28Å; E1190-L1192 PolarHBondContact O-N 3.16Å; E1190-Q1193 WeakPolarHBondContact O-CB 3.34Å; E1190-Q1193 WeakPolarHBondContact O-CG 3.3Å; E1190-Q1193 PolarHBondContact O-N 2.94Å; E1190-Q1193 VanDerWaalsContact O-N 3.11Å |
| 1191 | D | 64.1 | Low | 56.6 | Low | 24.4 Ų | 24.4 | 64 Ų | 64 | 13% | 0.13 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -31.9 | 179.2 | -61.5 | -45.1 | 0 | 0 | 0 | 112.6 | L1187 T1188 Q1193 L1226 K1230 | L1187-D1191 HydrophobicContact CB-CB 4.19Å; L1187-D1191 HydrophobicContact CD2-CB 4.32Å; T1188-D1191 WeakPolarHBondContact CB-OD2 3.31Å; T1188-D1191 PolarHBondContact N-OD2 3.01Å; T1188-D1191 VanDerWaalsContact N-OD2 3.16Å; T1188-D1191 WeakPolarHBondContact O-CB 3.29Å; T1188-D1191 PolarHBondContact O-N 3.2Å; T1188-D1191 VanDerWaalsContact OG1-CG 3.24Å; T1188-D1191 PolarHBondContact OG1-N 3.15Å; T1188-D1191 VanDerWaalsContact OG1-N 3.16Å; T1188-D1191 PolarHBondContact OG1-OD2 3.03Å; T1188-D1191 VanDerWaalsContact OG1-OD2 3.1Å; D1191-Q1193 VanDerWaalsContact C-N 3.3Å; D1191-Q1193 PolarHBondContact O-N 3.14Å; D1191-L1226 HydrophobicContact CB-CD1 4.08Å; D1191-L1226 HydrophobicContact CB-CD2 4.11Å; D1191-L1226 HydrophobicContact CB-CG 4.26Å; D1191-L1226 VanDerWaalsContact O-CD2 3.25Å; D1191-L1226 WeakPolarHBondContact O-CD2 3.32Å; D1191-K1230 HydrophobicContact CB-CG 4.41Å; D1191-K1230 VanDerWaalsContact CG-CE 3.45Å; D1191-K1230 WeakPolarHBondContact OD1-CD 3.44Å; D1191-K1230 WeakPolarHBondContact OD1-CE 3.32Å; D1191-K1230 IonicContact OD1-NZ 3.03Å; D1191-K1230 PolarHBondContact OD1-NZ 2.93Å; D1191-K1230 WeakPolarHBondContact OD2-CE 3.47Å; D1191-K1230 IonicContact OD2-NZ 2.91Å; D1191-K1230 PolarHBondContact OD2-NZ 3.18Å |
| 1192 | L | 58.6 | Low | 57.4 | Low | 19.2 Ų | 19.2 | 64.9 Ų | 64.9 | 10% | 0.101 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -6.8 | 179.8 | -64.7 | 173.5 | 0 | 0 | 0 | 114.4 | L1160 L1178 L1184 L1187 T1188 M1189 E1190 N1194 I1195 L1197 L1223 L1226 | L1160-L1192 HydrophobicContact CD2-CD1 4.08Å; L1178-L1192 HydrophobicContact CD1-CD1 3.67Å; L1178-L1192 HydrophobicContact CD2-CD1 3.83Å; L1178-L1192 HydrophobicContact CG-CD1 4.43Å; L1184-L1192 HydrophobicContact CB-CD1 4.35Å; L1184-L1192 HydrophobicContact CD2-CD1 4.15Å; L1187-L1192 HydrophobicContact CB-CD2 4.26Å; L1187-L1192 HydrophobicContact CB-CG 4.3Å; L1187-L1192 HydrophobicContact CD1-CD2 3.83Å; L1187-L1192 HydrophobicContact CD1-CG 4.42Å; T1188-L1192 WeakPolarHBondContact O-CG 3.35Å; T1188-L1192 PolarHBondContact O-N 3.03Å; M1189-L1192 HydrophobicContact CE-CB 4.13Å; M1189-L1192 HydrophobicContact CE-CD1 3.72Å; M1189-L1192 HydrophobicContact CG-CD1 4.48Å; M1189-L1192 HydrophobicContact SD-CB 4.04Å; M1189-L1192 HydrophobicContact SD-CD1 4.07Å; E1190-L1192 VanDerWaalsContact C-N 3.28Å; E1190-L1192 PolarHBondContact O-N 3.16Å; L1192-N1194 VanDerWaalsContact C-N 3.32Å; L1192-N1194 PolarHBondContact O-N 3.02Å; L1192-N1194 VanDerWaalsContact O-N 3.09Å; L1192-I1195 HydrophobicContact CD2-CD1 4.14Å; L1192-I1195 PolarHBondContact O-N 2.93Å; L1192-I1195 VanDerWaalsContact O-N 3.17Å; L1192-L1197 HydrophobicContact CD2-CD2 4.32Å; L1192-L1223 HydrophobicContact CD2-CD1 4.24Å; L1192-L1226 HydrophobicContact CD2-CD2 4.26Å |
| 1193 | Q | 56.2 | Low | 57.8 | Low | 124.8 Ų | 124.8 | 66.1 Ų | 66.1 | 58% | 0.583 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -24.5 | -173.8 | -75.3 | 179 | 27.8 | 0 | 0 | 114.3 | M1189 E1190 D1191 | M1189-Q1193 VanDerWaalsContact O-CG 3.28Å; M1189-Q1193 WeakPolarHBondContact O-CG 3.31Å; M1189-Q1193 PolarHBondContact O-N 3.31Å; M1189-Q1193 PolarHBondContact O-NE2 3.09Å; E1190-Q1193 WeakPolarHBondContact O-CB 3.34Å; E1190-Q1193 WeakPolarHBondContact O-CG 3.3Å; E1190-Q1193 PolarHBondContact O-N 2.94Å; E1190-Q1193 VanDerWaalsContact O-N 3.11Å; D1191-Q1193 VanDerWaalsContact C-N 3.3Å; D1191-Q1193 PolarHBondContact O-N 3.14Å |
| 1194 | N | 59.2 | Low | 58.4 | Low | 157 Ų | 157 | 62.1 Ų | 62.1 | 84% | 0.84 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | 6.8 | -175.8 | -64.2 | -43.8 | 0 | 0 | 0 | 113.8 | L1192 | L1192-N1194 VanDerWaalsContact C-N 3.32Å; L1192-N1194 PolarHBondContact O-N 3.02Å; L1192-N1194 VanDerWaalsContact O-N 3.09Å |
| 1195 | I | 59.4 | Low | 58.7 | Low | 32.2 Ų | 32.2 | 61.4 Ų | 61.4 | 17% | 0.165 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -104.6 | 127.1 | -178.7 | -63.1 | -178.3 | 0 | 0 | 0 | 109.8 | L1192 L1197 I1200 L1223 L1226 | L1192-I1195 HydrophobicContact CD2-CD1 4.14Å; L1192-I1195 PolarHBondContact O-N 2.93Å; L1192-I1195 VanDerWaalsContact O-N 3.17Å; I1195-L1197 VanDerWaalsContact C-N 3.34Å; I1195-L1197 HydrophobicContact CB-CD2 4.43Å; I1195-L1197 HydrophobicContact CG2-CD2 3.96Å; I1195-L1197 HydrophobicContact CG2-CG 4.46Å; I1195-L1197 PolarHBondContact O-N 3.08Å; I1195-L1197 VanDerWaalsContact O-N 3.09Å; I1195-I1200 HydrophobicContact CG2-CD1 4.1Å; I1195-L1223 HydrophobicContact CD1-CB 4Å; I1195-L1223 HydrophobicContact CD1-CD1 3.85Å; I1195-L1223 HydrophobicContact CD1-CG 4.47Å; I1195-L1226 HydrophobicContact CD1-CB 4.12Å; I1195-L1226 HydrophobicContact CD1-CD2 3.53Å; I1195-L1226 VanDerWaalsContact CD1-CD2 3.44Å; I1195-L1226 HydrophobicContact CD1-CG 4.37Å; I1195-L1226 HydrophobicContact CG1-CD2 4.39Å |
| 1196 | D | 59.9 | Low | 58.8 | Low | 93.2 Ų | 93.2 | 60.6 Ų | 60.6 | 50% | 0.498 | 33% | 0.332 | S | S | . | . | trans | -70.5 | 102.3 | 169.3 | -177.6 | 10.4 | 0 | 0 | 0 | 109.9 | N1198 S1199 | D1196-N1198 PolarHBondContact O-N 3.07Å; D1196-N1198 VanDerWaalsContact O-N 3.1Å; D1196-N1198 VanDerWaalsContact OD1-CB 3.3Å; D1196-N1198 WeakPolarHBondContact OD1-CB 3.26Å; D1196-N1198 PolarHBondContact OD1-N 3.19Å; D1196-N1198 PolarHBondContact OD1-ND2 3.18Å; D1196-S1199 VanDerWaalsContact O-CB 3.32Å; D1196-S1199 WeakPolarHBondContact O-CB 3.31Å; D1196-S1199 PolarHBondContact O-N 2.87Å; D1196-S1199 PolarHBondContact O-OG 3.15Å | ||
| 1197 | L | 53.6 | Low | 59 | Low | 55.6 Ų | 55.6 | 60.5 Ų | 60.5 | 29% | 0.291 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -62.2 | -16.6 | 178.4 | -62.9 | 177 | 0 | 0 | 0 | 113.1 | I1154 S1158 L1160 I1163 M1166 L1192 I1195 S1199 I1200 | I1154-L1197 HydrophobicContact CD1-CD1 4.07Å; S1158-L1197 WeakPolarHBondContact O-CD1 3.22Å; L1160-L1197 HydrophobicContact CD1-CD1 3.86Å; L1160-L1197 HydrophobicContact CD1-CD2 4.28Å; I1163-L1197 HydrophobicContact CD1-CB 3.77Å; I1163-L1197 HydrophobicContact CD1-CD1 3.98Å; I1163-L1197 HydrophobicContact CG1-CB 4.13Å; M1166-L1197 HydrophobicContact CE-CB 4.4Å; M1166-L1197 HydrophobicContact CE-CD1 4.32Å; L1192-L1197 HydrophobicContact CD2-CD2 4.32Å; I1195-L1197 VanDerWaalsContact C-N 3.34Å; I1195-L1197 HydrophobicContact CB-CD2 4.43Å; I1195-L1197 HydrophobicContact CG2-CD2 3.96Å; I1195-L1197 HydrophobicContact CG2-CG 4.46Å; I1195-L1197 PolarHBondContact O-N 3.08Å; I1195-L1197 VanDerWaalsContact O-N 3.09Å; L1197-S1199 VanDerWaalsContact C-N 3.28Å; L1197-S1199 PolarHBondContact O-N 3.08Å; L1197-I1200 HydrophobicContact CB-CD1 4.4Å; L1197-I1200 HydrophobicContact CD2-CD1 3.87Å; L1197-I1200 PolarHBondContact O-N 3.23Å |
| 1198 | N | 54 | Low | 58.8 | Low | 114.8 Ų | 114.8 | 62.2 Ų | 62.2 | 61% | 0.614 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -74.7 | -14.5 | 173 | -52.3 | -79.2 | 0 | 0 | 0 | 112.6 | D1196 I1200 | D1196-N1198 PolarHBondContact O-N 3.07Å; D1196-N1198 VanDerWaalsContact O-N 3.1Å; D1196-N1198 VanDerWaalsContact OD1-CB 3.3Å; D1196-N1198 WeakPolarHBondContact OD1-CB 3.26Å; D1196-N1198 PolarHBondContact OD1-N 3.19Å; D1196-N1198 PolarHBondContact OD1-ND2 3.18Å; N1198-I1200 VanDerWaalsContact C-N 3.31Å; N1198-I1200 PolarHBondContact O-N 2.78Å |
| 1199 | S | 57.5 | Low | 58.3 | Low | 59.6 Ų | 59.6 | 60.8 Ų | 60.8 | 42% | 0.417 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -80.2 | -12.1 | 175.5 | 60.6 | 0 | 0 | 0 | 0 | 113.7 | D1196 L1197 P1201 P1220 | D1196-S1199 VanDerWaalsContact O-CB 3.32Å; D1196-S1199 WeakPolarHBondContact O-CB 3.31Å; D1196-S1199 PolarHBondContact O-N 2.87Å; D1196-S1199 PolarHBondContact O-OG 3.15Å; L1197-S1199 VanDerWaalsContact C-N 3.28Å; L1197-S1199 PolarHBondContact O-N 3.08Å; S1199-P1201 WeakPolarHBondContact O-CD 3.29Å; S1199-P1220 VanDerWaalsContact O-CG 3.27Å; S1199-P1220 WeakPolarHBondContact O-CG 3.13Å; S1199-P1220 WeakPolarHBondContact OG-CG 3.39Å |
| 1200 | I | 61.3 | Low | 58.3 | Low | 17 Ų | 17 | 59.6 Ų | 59.6 | 9% | 0.087 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -86 | 120 | -178.9 | -53.4 | 176.4 | 0 | 0 | 0 | 108.7 | I1195 L1197 N1198 I1202 V1204 I1205 L1208 P1220 L1223 | I1195-I1200 HydrophobicContact CG2-CD1 4.1Å; L1197-I1200 HydrophobicContact CB-CD1 4.4Å; L1197-I1200 HydrophobicContact CD2-CD1 3.87Å; L1197-I1200 PolarHBondContact O-N 3.23Å; N1198-I1200 VanDerWaalsContact C-N 3.31Å; N1198-I1200 PolarHBondContact O-N 2.78Å; I1200-I1202 PolarHBondContact O-N 2.81Å; I1200-V1204 HydrophobicContact CG2-CB 3.87Å; I1200-V1204 HydrophobicContact CG2-CG1 3.59Å; I1200-V1204 VanDerWaalsContact CG2-CG1 3.43Å; I1200-I1205 HydrophobicContact CB-CD1 4.28Å; I1200-I1205 HydrophobicContact CB-CG1 4.12Å; I1200-I1205 HydrophobicContact CG2-CD1 4.41Å; I1200-I1205 HydrophobicContact CG2-CG1 3.78Å; I1200-I1205 WeakPolarHBondContact O-CD1 3.47Å; I1200-L1208 HydrophobicContact CG2-CD1 4.26Å; I1200-P1220 HydrophobicContact CG1-CG 4.42Å; I1200-L1223 HydrophobicContact CD1-CD2 3.81Å; I1200-L1223 HydrophobicContact CG1-CD2 3.98Å |
| 1201 | P | 62.4 | Low | 57.7 | Low | 46.6 Ų | 46.6 | 55.2 Ų | 55.2 | 30% | 0.303 | 32% | 0.316 | S | S | . | . | trans | -59.7 | 143.5 | 179.2 | -27.3 | 37.8 | 0 | 0 | 0 | 112.6 | S1199 P1203 V1204 I1205 Q1218 | S1199-P1201 WeakPolarHBondContact O-CD 3.29Å; P1201-P1203 VanDerWaalsContact C-CD 3.44Å; P1201-P1203 VanDerWaalsContact C-N 3.29Å; P1201-P1203 VanDerWaalsContact O-N 3.15Å; P1201-V1204 HydrophobicContact CB-CB 4.5Å; P1201-V1204 HydrophobicContact CB-CG2 4.37Å; P1201-V1204 HydrophobicContact CG-CG2 4.37Å; P1201-V1204 WeakPolarHBondContact O-CA 3.46Å; P1201-V1204 WeakPolarHBondContact O-CB 3.34Å; P1201-V1204 PolarHBondContact O-N 3.09Å; P1201-I1205 PolarHBondContact O-N 2.89Å; P1201-Q1218 VanDerWaalsContact CD-O 3.29Å; P1201-Q1218 WeakPolarHBondContact CD-O 3.29Å; P1201-Q1218 HydrophobicContact CG-CB 4.32Å; P1201-Q1218 WeakPolarHBondContact CG-O 3.34Å | ||
| 1202 | I | 58.1 | Low | 57.2 | Low | 90.4 Ų | 90.4 | 58.1 Ų | 58.1 | 46% | 0.464 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -52.4 | -39.6 | 178.9 | -62.1 | 175.8 | 0 | 0 | 0 | 112.8 | Q1130 L1150 I1154 M1166 I1200 V1204 I1205 V1206 | Q1130-I1202 HydrophobicContact CG-CD1 4.05Å; L1150-I1202 HydrophobicContact CD1-CG2 3.83Å; L1150-I1202 HydrophobicContact CD2-CG2 4.07Å; I1154-I1202 HydrophobicContact CD1-CG1 3.99Å; M1166-I1202 HydrophobicContact CE-CD1 4.15Å; I1200-I1202 PolarHBondContact O-N 2.81Å; I1202-V1204 VanDerWaalsContact C-N 3.33Å; I1202-V1204 PolarHBondContact O-N 2.97Å; I1202-I1205 CarbonylContact O-C 3.33Å; I1202-I1205 WeakPolarHBondContact O-CB 3.34Å; I1202-I1205 PolarHBondContact O-N 3.2Å; I1202-I1205 VanDerWaalsContact O-N 3.13Å; I1202-V1206 HydrophobicContact CG2-CG2 4.2Å; I1202-V1206 WeakPolarHBondContact O-CB 3.44Å; I1202-V1206 WeakPolarHBondContact O-CG2 3.24Å; I1202-V1206 PolarHBondContact O-N 3.11Å |
| 1203 | P | 58.4 | Low | 57.1 | Low | 65.6 Ų | 65.6 | 60.1 Ų | 60.1 | 43% | 0.426 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -56.1 | -44.6 | 172.8 | -27.4 | 36.3 | 0 | 0 | 0 | 113.5 | P1201 I1205 V1206 D1207 | P1201-P1203 VanDerWaalsContact C-CD 3.44Å; P1201-P1203 VanDerWaalsContact C-N 3.29Å; P1201-P1203 VanDerWaalsContact O-N 3.15Å; P1203-I1205 VanDerWaalsContact C-N 3.32Å; P1203-I1205 PolarHBondContact O-N 2.98Å; P1203-V1206 CarbonylContact O-C 3.58Å; P1203-V1206 WeakPolarHBondContact O-CB 3.32Å; P1203-V1206 PolarHBondContact O-N 2.92Å; P1203-V1206 VanDerWaalsContact O-N 3.11Å; P1203-D1207 WeakPolarHBondContact O-CB 3.42Å; P1203-D1207 PolarHBondContact O-N 2.93Å |
| 1204 | V | 61.8 | Low | 57.1 | Low | 2.2 Ų | 2.2 | 54.4 Ų | 54.4 | 1% | 0.013 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.6 | -39.1 | 176.8 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | I1200 P1201 I1202 V1206 D1207 L1208 P1214 Q1218 V1219 | I1200-V1204 HydrophobicContact CG2-CB 3.87Å; I1200-V1204 HydrophobicContact CG2-CG1 3.59Å; I1200-V1204 VanDerWaalsContact CG2-CG1 3.43Å; P1201-V1204 HydrophobicContact CB-CB 4.5Å; P1201-V1204 HydrophobicContact CB-CG2 4.37Å; P1201-V1204 HydrophobicContact CG-CG2 4.37Å; P1201-V1204 WeakPolarHBondContact O-CA 3.46Å; P1201-V1204 WeakPolarHBondContact O-CB 3.34Å; P1201-V1204 PolarHBondContact O-N 3.09Å; I1202-V1204 VanDerWaalsContact C-N 3.33Å; I1202-V1204 PolarHBondContact O-N 2.97Å; V1204-V1206 VanDerWaalsContact C-N 3.33Å; V1204-D1207 PolarHBondContact O-N 3.18Å; V1204-L1208 HydrophobicContact CG1-CD1 3.99Å; V1204-L1208 HydrophobicContact CG1-CG 4.43Å; V1204-L1208 VanDerWaalsContact O-CB 3.26Å; V1204-L1208 WeakPolarHBondContact O-CB 3.22Å; V1204-L1208 WeakPolarHBondContact O-CD1 3.22Å; V1204-L1208 VanDerWaalsContact O-CG 3.24Å; V1204-L1208 WeakPolarHBondContact O-CG 3.32Å; V1204-L1208 PolarHBondContact O-N 3.08Å; V1204-P1214 HydrophobicContact CB-CB 4.43Å; V1204-P1214 HydrophobicContact CG1-CB 3.98Å; V1204-P1214 HydrophobicContact CG1-CG 4.39Å; V1204-P1214 HydrophobicContact CG2-CB 4.4Å; V1204-Q1218 HydrophobicContact CG2-CB 3.79Å; V1204-Q1218 VanDerWaalsContact CG2-CB 3.46Å; V1204-V1219 HydrophobicContact CG1-CG2 3.94Å; V1204-V1219 HydrophobicContact CG2-CG2 4.17Å |
| 1205 | I | 57.4 | Low | 57.2 | Low | 41.6 Ų | 41.6 | 49.5 Ų | 49.5 | 21% | 0.213 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 174.4 | -59.3 | 176.8 | 0 | 0 | 0 | 110.8 | L1129 I1154 I1163 I1200 P1201 I1202 P1203 D1207 L1208 V1209 | L1129-I1205 HydrophobicContact CD1-CG2 3.98Å; I1154-I1205 HydrophobicContact CD1-CD1 3.74Å; I1154-I1205 HydrophobicContact CG1-CD1 4.34Å; I1163-I1205 HydrophobicContact CG2-CD1 4.46Å; I1200-I1205 HydrophobicContact CB-CD1 4.28Å; I1200-I1205 HydrophobicContact CB-CG1 4.12Å; I1200-I1205 HydrophobicContact CG2-CD1 4.41Å; I1200-I1205 HydrophobicContact CG2-CG1 3.78Å; I1200-I1205 WeakPolarHBondContact O-CD1 3.47Å; P1201-I1205 PolarHBondContact O-N 2.89Å; I1202-I1205 CarbonylContact O-C 3.33Å; I1202-I1205 WeakPolarHBondContact O-CB 3.34Å; I1202-I1205 PolarHBondContact O-N 3.2Å; I1202-I1205 VanDerWaalsContact O-N 3.13Å; P1203-I1205 VanDerWaalsContact C-N 3.32Å; P1203-I1205 PolarHBondContact O-N 2.98Å; I1205-D1207 PolarHBondContact O-N 3.08Å; I1205-L1208 PolarHBondContact O-N 2.99Å; I1205-V1209 HydrophobicContact CG2-CG2 4.24Å; I1205-V1209 VanDerWaalsContact O-CB 3.27Å; I1205-V1209 WeakPolarHBondContact O-CB 3.3Å; I1205-V1209 VanDerWaalsContact O-CG2 3.26Å; I1205-V1209 WeakPolarHBondContact O-CG2 3.3Å; I1205-V1209 PolarHBondContact O-N 3.23Å |
| 1206 | V | 57.1 | Low | 57.3 | Low | 28.8 Ų | 28.8 | 50 Ų | 50 | 18% | 0.175 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64 | -41.2 | 177 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | I1125 L1129 L1150 M1171 I1202 P1203 V1204 V1209 T1210 | I1125-V1206 HydrophobicContact CG2-CG1 4.5Å; L1129-V1206 HydrophobicContact CD1-CG2 3.75Å; L1150-V1206 HydrophobicContact CD2-CG2 4.28Å; M1171-V1206 HydrophobicContact CE-CG1 4.24Å; I1202-V1206 HydrophobicContact CG2-CG2 4.2Å; I1202-V1206 WeakPolarHBondContact O-CB 3.44Å; I1202-V1206 WeakPolarHBondContact O-CG2 3.24Å; I1202-V1206 PolarHBondContact O-N 3.11Å; P1203-V1206 CarbonylContact O-C 3.58Å; P1203-V1206 WeakPolarHBondContact O-CB 3.32Å; P1203-V1206 PolarHBondContact O-N 2.92Å; P1203-V1206 VanDerWaalsContact O-N 3.11Å; V1204-V1206 VanDerWaalsContact C-N 3.33Å; V1206-V1209 PolarHBondContact O-N 2.89Å; V1206-T1210 HydrophobicContact CG1-CG2 4.34Å; V1206-T1210 VanDerWaalsContact O-CB 3.32Å; V1206-T1210 WeakPolarHBondContact O-CB 3.31Å; V1206-T1210 VanDerWaalsContact O-CG2 3.31Å; V1206-T1210 WeakPolarHBondContact O-CG2 3.26Å; V1206-T1210 PolarHBondContact O-N 3Å; V1206-T1210 PolarHBondContact O-OG1 3.3Å |
| 1207 | D | 60.2 | Low | 57.3 | Low | 28 Ų | 28 | 50.2 Ų | 50.2 | 15% | 0.15 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.2 | -48 | 176.7 | -74.3 | -27 | 0 | 0 | 0 | 111.2 | P1203 V1204 I1205 V1209 T1210 G1211 K1212 P1214 K1949 | P1203-D1207 WeakPolarHBondContact O-CB 3.42Å; P1203-D1207 PolarHBondContact O-N 2.93Å; V1204-D1207 PolarHBondContact O-N 3.18Å; I1205-D1207 PolarHBondContact O-N 3.08Å; D1207-V1209 VanDerWaalsContact C-N 3.32Å; D1207-V1209 PolarHBondContact O-N 3.03Å; D1207-T1210 CarbonylContact O-C 3.31Å; D1207-T1210 PolarHBondContact O-N 3.2Å; D1207-T1210 PolarHBondContact O-OG1 3.14Å; D1207-G1211 PolarHBondContact O-N 3.08Å; D1207-K1212 HydrophobicContact CB-CB 4.08Å; D1207-K1212 HydrophobicContact CB-CD 4.25Å; D1207-K1212 CarbonylContact O-C 3.56Å; D1207-K1212 WeakPolarHBondContact O-CA 3.3Å; D1207-K1212 PolarHBondContact O-N 3.16Å; D1207-K1212 WeakPolarHBondContact OD1-CB 3.45Å; D1207-K1212 WeakPolarHBondContact OD1-CD 3.3Å; D1207-K1212 IonicContact OD1-NZ 2.69Å; D1207-K1212 PolarHBondContact OD1-NZ 3.38Å; D1207-P1214 HydrophobicContact CB-CB 4.01Å; D1207-P1214 HydrophobicContact CB-CG 4.14Å; D1207-P1214 WeakPolarHBondContact OD2-CA 3.14Å; D1207-K1949 WeakPolarHBondContact OD2-CB 3.47Å |
| 1208 | L | 56.8 | Low | 57.6 | Low | 41 Ų | 41 | 51.2 Ų | 51.2 | 22% | 0.215 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -55.5 | -45.4 | 173.2 | -75.5 | 167.7 | 0 | 0 | 0 | 112.6 | L1184 M1185 I1200 V1204 I1205 T1210 G1211 P1214 L1223 | L1184-L1208 HydrophobicContact CD1-CB 4.3Å; L1184-L1208 WeakPolarHBondContact CD1-O 3.09Å; L1184-L1208 HydrophobicContact CD2-CB 4.46Å; L1184-L1208 HydrophobicContact CD2-CD2 3.99Å; L1184-L1208 HydrophobicContact CG-CD2 4.18Å; M1185-L1208 HydrophobicContact CE-CD1 3.74Å; M1185-L1208 HydrophobicContact CE-CD2 3.54Å; M1185-L1208 HydrophobicContact CE-CG 4.28Å; M1185-L1208 HydrophobicContact CG-CD2 4.16Å; M1185-L1208 HydrophobicContact SD-CD2 3.56Å; M1185-L1208 VanDerWaalsContact SD-CD2 3.56Å; I1200-L1208 HydrophobicContact CG2-CD1 4.26Å; V1204-L1208 HydrophobicContact CG1-CD1 3.99Å; V1204-L1208 HydrophobicContact CG1-CG 4.43Å; V1204-L1208 VanDerWaalsContact O-CB 3.26Å; V1204-L1208 WeakPolarHBondContact O-CB 3.22Å; V1204-L1208 WeakPolarHBondContact O-CD1 3.22Å; V1204-L1208 VanDerWaalsContact O-CG 3.24Å; V1204-L1208 WeakPolarHBondContact O-CG 3.32Å; V1204-L1208 PolarHBondContact O-N 3.08Å; I1205-L1208 PolarHBondContact O-N 2.99Å; L1208-T1210 VanDerWaalsContact C-N 3.34Å; L1208-T1210 PolarHBondContact O-N 3.25Å; L1208-G1211 PolarHBondContact O-N 3.06Å; L1208-P1214 HydrophobicContact CD2-CB 4.39Å; L1208-P1214 HydrophobicContact CD2-CG 3.99Å; L1208-P1214 HydrophobicContact CG-CB 4.4Å; L1208-P1214 HydrophobicContact CG-CG 4.2Å; L1208-L1223 HydrophobicContact CD1-CD2 3.91Å |
| 1209 | V | 52.8 | Low | 58 | Low | 22.2 Ų | 22.2 | 46.3 Ų | 46.3 | 14% | 0.135 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.8 | -31.4 | -178.9 | 166.2 | 0 | 0 | 0 | 0 | 112.6 | M1117 I1125 L1129 L1153 I1163 L1167 P1174 L1175 I1205 V1206 D1207 G1211 | M1117-V1209 HydrophobicContact CB-CG1 4.17Å; M1117-V1209 HydrophobicContact CE-CG1 4.17Å; M1117-V1209 HydrophobicContact CG-CG1 3.92Å; M1117-V1209 HydrophobicContact SD-CB 4.25Å; M1117-V1209 HydrophobicContact SD-CG1 3.3Å; M1117-V1209 WeakPolarHBondContact SD-CG1 3.31Å; M1117-V1209 HydrophobicContact SD-CG2 3.84Å; I1125-V1209 HydrophobicContact CG2-CG1 4.4Å; L1129-V1209 HydrophobicContact CD1-CG1 4.39Å; L1153-V1209 HydrophobicContact CD1-CB 4.38Å; L1153-V1209 HydrophobicContact CD1-CG1 3.7Å; L1153-V1209 HydrophobicContact CD1-CG2 4.06Å; L1153-V1209 HydrophobicContact CD2-CB 4.43Å; L1153-V1209 HydrophobicContact CD2-CG1 3.95Å; L1153-V1209 HydrophobicContact CD2-CG2 4.16Å; L1153-V1209 HydrophobicContact CG-CG1 4.47Å; L1153-V1209 HydrophobicContact CG-CG2 4.38Å; I1163-V1209 HydrophobicContact CG2-CG2 4.11Å; L1167-V1209 HydrophobicContact CD1-CG1 3.91Å; L1167-V1209 HydrophobicContact CD2-CG1 3.91Å; P1174-V1209 HydrophobicContact CB-CG1 4.08Å; P1174-V1209 HydrophobicContact CG-CG1 4.1Å; L1175-V1209 HydrophobicContact CD1-CG1 3.87Å; L1175-V1209 HydrophobicContact CD1-CG2 4.1Å; I1205-V1209 HydrophobicContact CG2-CG2 4.24Å; I1205-V1209 VanDerWaalsContact O-CB 3.27Å; I1205-V1209 WeakPolarHBondContact O-CB 3.3Å; I1205-V1209 VanDerWaalsContact O-CG2 3.26Å; I1205-V1209 WeakPolarHBondContact O-CG2 3.3Å; I1205-V1209 PolarHBondContact O-N 3.23Å; V1206-V1209 PolarHBondContact O-N 2.89Å; D1207-V1209 VanDerWaalsContact C-N 3.32Å; D1207-V1209 PolarHBondContact O-N 3.03Å; V1209-G1211 VanDerWaalsContact C-N 3.31Å; V1209-G1211 PolarHBondContact O-N 2.97Å |
| 1210 | T | 52.4 | Low | 58.3 | Low | 38.8 Ų | 38.8 | 45 Ų | 45 | 24% | 0.238 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -91.8 | 3.8 | 178.6 | 57.3 | 0 | 0 | 0 | 0 | 113.7 | I1125 M1171 V1206 D1207 L1208 K1212 K1277 | I1125-T1210 HydrophobicContact CD1-CG2 3.97Å; M1171-T1210 HydrophobicContact CE-CG2 4.15Å; V1206-T1210 HydrophobicContact CG1-CG2 4.34Å; V1206-T1210 VanDerWaalsContact O-CB 3.32Å; V1206-T1210 WeakPolarHBondContact O-CB 3.31Å; V1206-T1210 VanDerWaalsContact O-CG2 3.31Å; V1206-T1210 WeakPolarHBondContact O-CG2 3.26Å; V1206-T1210 PolarHBondContact O-N 3Å; V1206-T1210 PolarHBondContact O-OG1 3.3Å; D1207-T1210 CarbonylContact O-C 3.31Å; D1207-T1210 PolarHBondContact O-N 3.2Å; D1207-T1210 PolarHBondContact O-OG1 3.14Å; L1208-T1210 VanDerWaalsContact C-N 3.34Å; L1208-T1210 PolarHBondContact O-N 3.25Å; T1210-K1212 VanDerWaalsContact C-N 3.29Å; T1210-K1212 PolarHBondContact O-N 3.03Å; T1210-K1212 WeakPolarHBondContact OG1-CD 3.43Å; T1210-K1212 VanDerWaalsContact OG1-CE 3.26Å; T1210-K1212 WeakPolarHBondContact OG1-CE 3.34Å; T1210-K1212 WeakPolarHBondContact OG1-CG 3.43Å; T1210-K1212 PolarHBondContact OG1-NZ 3.16Å; T1210-K1277 PolarHBondContact OG1-NZ 3.38Å |
| 1211 | G | 50.4 | Low | 58.4 | Low | 56.6 Ų | 56.6 | 47.4 Ų | 47.4 | 58% | 0.584 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 19.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D1207 L1208 V1209 P1945 | D1207-G1211 PolarHBondContact O-N 3.08Å; L1208-G1211 PolarHBondContact O-N 3.06Å; V1209-G1211 VanDerWaalsContact C-N 3.31Å; V1209-G1211 PolarHBondContact O-N 2.97Å; G1211-P1945 VanDerWaalsContact O-CD 3.22Å; G1211-P1945 WeakPolarHBondContact O-CD 2.98Å; G1211-P1945 WeakPolarHBondContact O-CG 3.29Å |
| 1212 | K | 54.5 | Low | 58.5 | Low | 85 Ų | 85 | 49.9 Ų | 49.9 | 37% | 0.37 | 29% | 0.288 | S | S | . | . | trans | -88.9 | 168.2 | 176.1 | -73.9 | 174 | -175.1 | 175.2 | 0 | 110 | E1126 M1185 D1207 T1210 P1214 K1277 F1946 | E1126-K1212 IonicContact OE1-NZ 2.7Å; E1126-K1212 PolarHBondContact OE1-NZ 2.77Å; M1185-K1212 VanDerWaalsContact CE-O 3.28Å; M1185-K1212 WeakPolarHBondContact CE-O 3.31Å; D1207-K1212 HydrophobicContact CB-CB 4.08Å; D1207-K1212 HydrophobicContact CB-CD 4.25Å; D1207-K1212 CarbonylContact O-C 3.56Å; D1207-K1212 WeakPolarHBondContact O-CA 3.3Å; D1207-K1212 PolarHBondContact O-N 3.16Å; D1207-K1212 WeakPolarHBondContact OD1-CB 3.45Å; D1207-K1212 WeakPolarHBondContact OD1-CD 3.3Å; D1207-K1212 IonicContact OD1-NZ 2.69Å; D1207-K1212 PolarHBondContact OD1-NZ 3.38Å; T1210-K1212 VanDerWaalsContact C-N 3.29Å; T1210-K1212 PolarHBondContact O-N 3.03Å; T1210-K1212 WeakPolarHBondContact OG1-CD 3.43Å; T1210-K1212 VanDerWaalsContact OG1-CE 3.26Å; T1210-K1212 WeakPolarHBondContact OG1-CE 3.34Å; T1210-K1212 WeakPolarHBondContact OG1-CG 3.43Å; T1210-K1212 PolarHBondContact OG1-NZ 3.16Å; K1212-P1214 VanDerWaalsContact O-CD 3.25Å; K1212-P1214 WeakPolarHBondContact O-CD 3.35Å; K1212-K1277 HydrophobicContact CD-CB 4.41Å; K1212-K1277 HydrophobicContact CD-CD 4.07Å; K1212-K1277 PolarHBondContact NZ-O 3.44Å; K1212-F1946 WeakPolarHBondContact O-CB 3.24Å | ||
| 1213 | T | 56.5 | Low | 58.9 | Low | 62 Ų | 62 | 46.2 Ų | 46.2 | 38% | 0.38 | 27% | 0.269 | S | S | . | . | trans | -84.9 | 107.2 | 179.6 | 48.9 | 0 | 0 | 0 | 0 | 110.1 | D1215 L1238 K1706 F1946 L1947 S1948 K1949 | T1213-D1215 PolarHBondContact O-N 2.87Å; T1213-D1215 VanDerWaalsContact O-N 3.14Å; T1213-L1238 HydrophobicContact CG2-CD2 3.53Å; T1213-K1706 PolarHBondContact OG1-NZ 2.94Å; T1213-F1946 HydrophobicContact CG2-CB 3.37Å; T1213-F1946 HydrophobicContact CG2-CD1 3.44Å; T1213-F1946 VanDerWaalsContact CG2-CD1 3.44Å; T1213-F1946 HydrophobicContact CG2-CD2 3.9Å; T1213-F1946 HydrophobicContact CG2-CE1 4.22Å; T1213-F1946 HydrophobicContact CG2-CG 3.26Å; T1213-L1947 VanDerWaalsContact CB-O 3.31Å; T1213-L1947 WeakPolarHBondContact CB-O 3.16Å; T1213-L1947 WeakPolarHBondContact CG2-O 3.22Å; T1213-L1947 CarbonylContact O-C 3.2Å; T1213-S1948 WeakPolarHBondContact CB-O 3.4Å; T1213-S1948 CarbonylContact O-C 3.5Å; T1213-S1948 WeakPolarHBondContact O-CA 3.13Å; T1213-S1948 PolarHBondContact O-N 3.3Å; T1213-S1948 PolarHBondContact OG1-O 2.8Å; T1213-K1949 PolarHBondContact O-N 2.81Å | ||
| 1214 | P | 55.6 | Low | 59.3 | Low | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.032 | 26% | 0.256 | C | S | . | . | trans | -65.8 | 149.1 | 179.5 | 19.2 | -23.5 | 0 | 0 | 0 | 111 | M1185 V1204 D1207 L1208 K1212 F1216 V1219 K1706 F1946 L1947 S1948 | M1185-P1214 VanDerWaalsContact CE-CD 3.49Å; M1185-P1214 HydrophobicContact CE-CG 4.1Å; V1204-P1214 HydrophobicContact CB-CB 4.43Å; V1204-P1214 HydrophobicContact CG1-CB 3.98Å; V1204-P1214 HydrophobicContact CG1-CG 4.39Å; V1204-P1214 HydrophobicContact CG2-CB 4.4Å; D1207-P1214 HydrophobicContact CB-CB 4.01Å; D1207-P1214 HydrophobicContact CB-CG 4.14Å; D1207-P1214 WeakPolarHBondContact OD2-CA 3.14Å; L1208-P1214 HydrophobicContact CD2-CB 4.39Å; L1208-P1214 HydrophobicContact CD2-CG 3.99Å; L1208-P1214 HydrophobicContact CG-CB 4.4Å; L1208-P1214 HydrophobicContact CG-CG 4.2Å; K1212-P1214 VanDerWaalsContact O-CD 3.25Å; K1212-P1214 WeakPolarHBondContact O-CD 3.35Å; P1214-F1216 HydrophobicContact CG-CE1 4.34Å; P1214-F1216 HydrophobicContact CG-CE2 4.25Å; P1214-F1216 HydrophobicContact CG-CZ 4.01Å; P1214-F1216 WeakPolarHBondContact O-CD2 3.38Å; P1214-F1216 WeakPolarHBondContact O-CE2 3.25Å; P1214-F1216 PolarHBondContact O-N 3.02Å; P1214-F1216 VanDerWaalsContact O-N 3.1Å; P1214-V1219 HydrophobicContact CB-CG2 4.18Å; P1214-V1219 HydrophobicContact CG-CG2 4.19Å; P1214-K1706 PolarHBondContact O-NZ 2.92Å; P1214-F1946 WeakPolarHBondContact CD-O 3.22Å; P1214-L1947 WeakPolarHBondContact O-CA 3.47Å; P1214-L1947 WeakPolarHBondContact O-CD2 3.44Å; P1214-L1947 VanDerWaalsContact O-CG 3.29Å; P1214-L1947 WeakPolarHBondContact O-CG 3.26Å; P1214-S1948 PolarHBondContact O-N 2.97Å | ||
| 1215 | D | 60.9 | Low | 59.5 | Low | 53.2 Ų | 53.2 | 49.3 Ų | 49.3 | 28% | 0.284 | 28% | 0.275 | S | S | . | . | trans | -70.4 | 108.9 | 168.1 | -174.2 | -13.5 | 0 | 0 | 0 | 110 | T1213 T1217 Q1218 V1219 S1948 A1950 | T1213-D1215 PolarHBondContact O-N 2.87Å; T1213-D1215 VanDerWaalsContact O-N 3.14Å; D1215-T1217 VanDerWaalsContact CG-OG1 3.31Å; D1215-T1217 PolarHBondContact O-N 3.13Å; D1215-T1217 VanDerWaalsContact O-N 3.15Å; D1215-T1217 WeakPolarHBondContact OD1-CB 3.35Å; D1215-T1217 WeakPolarHBondContact OD1-CG2 3.37Å; D1215-T1217 PolarHBondContact OD1-N 3.17Å; D1215-T1217 PolarHBondContact OD1-OG1 3Å; D1215-T1217 PolarHBondContact OD2-OG1 3.1Å; D1215-T1217 VanDerWaalsContact OD2-OG1 3.05Å; D1215-Q1218 HydrophobicContact CB-CB 4.48Å; D1215-Q1218 HydrophobicContact CB-CG 4.42Å; D1215-Q1218 WeakPolarHBondContact O-CA 3.23Å; D1215-Q1218 WeakPolarHBondContact O-CB 3.38Å; D1215-Q1218 PolarHBondContact O-N 3.09Å; D1215-Q1218 PolarHBondContact OD2-NE2 3.33Å; D1215-V1219 PolarHBondContact O-N 3.14Å; D1215-S1948 WeakPolarHBondContact OD2-CA 3.44Å; D1215-A1950 HydrophobicContact CB-CB 3.79Å; D1215-A1950 VanDerWaalsContact CG-CB 3.47Å; D1215-A1950 WeakPolarHBondContact OD2-CB 3.17Å | ||
| 1216 | F | 62.4 | Low | 60 | Low | 42.2 Ų | 42.2 | 49.1 Ų | 49.1 | 19% | 0.185 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -13.7 | 179.7 | -76.7 | -74.6 | 0 | 0 | 0 | 113.9 | M1185 P1214 Q1218 V1219 V1224 I1227 L1234 F1235 L1238 L1947 | M1185-F1216 HydrophobicContact SD-CE1 4.02Å; M1185-F1216 HydrophobicContact SD-CZ 3.81Å; P1214-F1216 HydrophobicContact CG-CE1 4.34Å; P1214-F1216 HydrophobicContact CG-CE2 4.25Å; P1214-F1216 HydrophobicContact CG-CZ 4.01Å; P1214-F1216 WeakPolarHBondContact O-CD2 3.38Å; P1214-F1216 WeakPolarHBondContact O-CE2 3.25Å; P1214-F1216 PolarHBondContact O-N 3.02Å; P1214-F1216 VanDerWaalsContact O-N 3.1Å; F1216-Q1218 VanDerWaalsContact C-N 3.25Å; F1216-Q1218 PolarHBondContact O-N 3.16Å; F1216-V1219 HydrophobicContact CD1-CB 4.19Å; F1216-V1219 HydrophobicContact CD1-CG1 4.41Å; F1216-V1219 HydrophobicContact CD1-CG2 4Å; F1216-V1219 HydrophobicContact CE1-CG2 4.38Å; F1216-V1219 HydrophobicContact CG-CG2 4.43Å; F1216-V1219 PolarHBondContact O-N 3.29Å; F1216-V1224 HydrophobicContact CD1-CG1 4.33Å; F1216-V1224 HydrophobicContact CD1-CG2 4.19Å; F1216-I1227 HydrophobicContact CE1-CD1 4.24Å; F1216-I1227 HydrophobicContact CE1-CG2 4.43Å; F1216-L1234 HydrophobicContact CZ-CD2 3.85Å; F1216-F1235 HydrophobicContact CD2-CE2 4.15Å; F1216-F1235 HydrophobicContact CE1-CD2 4.5Å; F1216-F1235 AromaticContact CE2-CD2 3.88Å; F1216-F1235 HydrophobicContact CE2-CD2 3.88Å; F1216-F1235 AromaticContact CE2-CE2 3.82Å; F1216-F1235 HydrophobicContact CE2-CE2 3.82Å; F1216-F1235 AromaticContact CZ-CD2 3.97Å; F1216-F1235 HydrophobicContact CZ-CD2 3.97Å; F1216-F1235 HydrophobicContact CZ-CE2 4.22Å; F1216-L1238 HydrophobicContact CB-CD2 3.9Å; F1216-L1238 HydrophobicContact CD2-CD1 3.8Å; F1216-L1238 HydrophobicContact CD2-CD2 3.73Å; F1216-L1238 HydrophobicContact CD2-CG 4.46Å; F1216-L1238 HydrophobicContact CE2-CB 4.05Å; F1216-L1238 HydrophobicContact CE2-CD1 4.15Å; F1216-L1238 HydrophobicContact CE2-CD2 4.39Å; F1216-L1238 HydrophobicContact CE2-CG 4.45Å; F1216-L1238 HydrophobicContact CG-CD2 4.19Å; F1216-L1238 HydrophobicContact CZ-CB 4.32Å; F1216-L1238 HydrophobicContact CZ-CD1 3.88Å; F1216-L1947 HydrophobicContact CB-CD2 4.11Å; F1216-L1947 HydrophobicContact CD2-CD1 3.71Å; F1216-L1947 HydrophobicContact CD2-CD2 3.69Å; F1216-L1947 HydrophobicContact CD2-CG 4.14Å; F1216-L1947 HydrophobicContact CE2-CD1 3.74Å; F1216-L1947 HydrophobicContact CE2-CD2 4.42Å; F1216-L1947 HydrophobicContact CE2-CG 4.39Å; F1216-L1947 HydrophobicContact CG-CD2 4Å |
| 1217 | T | 58.3 | Low | 60.4 | Low | 98.4 Ų | 98.4 | 48 Ų | 48 | 60% | 0.604 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -19.6 | 169.4 | 69.8 | 0 | 0 | 0 | 0 | 112.8 | D1215 P1945 F1946 | D1215-T1217 VanDerWaalsContact CG-OG1 3.31Å; D1215-T1217 PolarHBondContact O-N 3.13Å; D1215-T1217 VanDerWaalsContact O-N 3.15Å; D1215-T1217 WeakPolarHBondContact OD1-CB 3.35Å; D1215-T1217 WeakPolarHBondContact OD1-CG2 3.37Å; D1215-T1217 PolarHBondContact OD1-N 3.17Å; D1215-T1217 PolarHBondContact OD1-OG1 3Å; D1215-T1217 PolarHBondContact OD2-OG1 3.1Å; D1215-T1217 VanDerWaalsContact OD2-OG1 3.05Å; T1217-P1945 HydrophobicContact CG2-CB 3.68Å; T1217-P1945 HydrophobicContact CG2-CG 3.65Å; T1217-F1946 HydrophobicContact CG2-CE1 4.32Å; T1217-F1946 HydrophobicContact CG2-CE2 4.36Å; T1217-F1946 HydrophobicContact CG2-CZ 3.75Å |
| 1218 | Q | 60.2 | Low | 60.6 | Low | 77 Ų | 77 | 49.1 Ų | 49.1 | 36% | 0.36 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -102.4 | -4 | 176.8 | -63 | -177.7 | 45.9 | 0 | 0 | 113 | P1201 V1204 D1215 F1216 K1949 | P1201-Q1218 VanDerWaalsContact CD-O 3.29Å; P1201-Q1218 WeakPolarHBondContact CD-O 3.29Å; P1201-Q1218 HydrophobicContact CG-CB 4.32Å; P1201-Q1218 WeakPolarHBondContact CG-O 3.34Å; V1204-Q1218 HydrophobicContact CG2-CB 3.79Å; V1204-Q1218 VanDerWaalsContact CG2-CB 3.46Å; D1215-Q1218 HydrophobicContact CB-CB 4.48Å; D1215-Q1218 HydrophobicContact CB-CG 4.42Å; D1215-Q1218 WeakPolarHBondContact O-CA 3.23Å; D1215-Q1218 WeakPolarHBondContact O-CB 3.38Å; D1215-Q1218 PolarHBondContact O-N 3.09Å; D1215-Q1218 PolarHBondContact OD2-NE2 3.33Å; F1216-Q1218 VanDerWaalsContact C-N 3.25Å; F1216-Q1218 PolarHBondContact O-N 3.16Å; Q1218-K1949 PolarHBondContact NE2-O 2.99Å |
| 1219 | V | 62.3 | Low | 61.2 | Low | 11.2 Ų | 11.2 | 53 Ų | 53 | 7% | 0.068 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -84.2 | 128.9 | 176.9 | 178.6 | 0 | 0 | 0 | 0 | 109.3 | V1204 P1214 D1215 F1216 V1221 L1223 V1224 | V1204-V1219 HydrophobicContact CG1-CG2 3.94Å; V1204-V1219 HydrophobicContact CG2-CG2 4.17Å; P1214-V1219 HydrophobicContact CB-CG2 4.18Å; P1214-V1219 HydrophobicContact CG-CG2 4.19Å; D1215-V1219 PolarHBondContact O-N 3.14Å; F1216-V1219 HydrophobicContact CD1-CB 4.19Å; F1216-V1219 HydrophobicContact CD1-CG1 4.41Å; F1216-V1219 HydrophobicContact CD1-CG2 4Å; F1216-V1219 HydrophobicContact CE1-CG2 4.38Å; F1216-V1219 HydrophobicContact CG-CG2 4.43Å; F1216-V1219 PolarHBondContact O-N 3.29Å; V1219-V1221 PolarHBondContact O-N 2.91Å; V1219-L1223 HydrophobicContact CG1-CB 3.93Å; V1219-L1223 HydrophobicContact CG1-CD2 3.93Å; V1219-L1223 HydrophobicContact CG1-CG 3.9Å; V1219-V1224 HydrophobicContact CB-CG2 3.85Å; V1219-V1224 HydrophobicContact CG1-CG2 3.61Å; V1219-V1224 WeakPolarHBondContact O-CG2 3.33Å |
| 1220 | P | 64.9 | Low | 61.9 | Low | 31.4 Ų | 31.4 | 57.1 Ų | 57.1 | 20% | 0.204 | 31% | 0.309 | C | S | . | . | trans | -55.5 | 136.8 | 176.8 | -27.6 | 35.9 | 0 | 0 | 0 | 112.4 | S1199 I1200 D1222 L1223 V1224 | S1199-P1220 VanDerWaalsContact O-CG 3.27Å; S1199-P1220 WeakPolarHBondContact O-CG 3.13Å; S1199-P1220 WeakPolarHBondContact OG-CG 3.39Å; I1200-P1220 HydrophobicContact CG1-CG 4.42Å; P1220-D1222 PolarHBondContact O-N 2.93Å; P1220-L1223 HydrophobicContact CB-CB 4.48Å; P1220-L1223 CarbonylContact O-C 3.37Å; P1220-L1223 WeakPolarHBondContact O-CA 3.29Å; P1220-L1223 WeakPolarHBondContact O-CB 3.36Å; P1220-L1223 PolarHBondContact O-N 2.95Å; P1220-V1224 PolarHBondContact O-N 3.06Å | ||
| 1221 | V | 63.7 | Low | 62.4 | Low | 68.2 Ų | 68.2 | 57 Ų | 57 | 41% | 0.413 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -53.8 | -34.5 | -173.1 | -179.3 | 0 | 0 | 0 | 0 | 112.6 | V1219 V1224 R1225 A1708 | V1219-V1221 PolarHBondContact O-N 2.91Å; V1221-V1224 CarbonylContact O-C 3.52Å; V1221-V1224 WeakPolarHBondContact O-CB 3.18Å; V1221-V1224 PolarHBondContact O-N 3.11Å; V1221-R1225 HydrophobicContact CG1-CG 4.46Å; V1221-R1225 WeakPolarHBondContact O-CB 3.28Å; V1221-R1225 WeakPolarHBondContact O-CD 3.49Å; V1221-R1225 VanDerWaalsContact O-CG 3.27Å; V1221-R1225 WeakPolarHBondContact O-CG 3.32Å; V1221-R1225 PolarHBondContact O-N 2.98Å; V1221-A1708 HydrophobicContact CG1-CB 3.81Å |
| 1222 | D | 64.9 | Low | 62.8 | Low | 99.6 Ų | 99.6 | 56.9 Ų | 56.9 | 53% | 0.533 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -73.3 | -29.4 | 178.4 | -59.5 | -48.5 | 0 | 0 | 0 | 113.5 | P1220 R1225 L1226 | P1220-D1222 PolarHBondContact O-N 2.93Å; D1222-R1225 PolarHBondContact O-N 3.29Å; D1222-R1225 WeakPolarHBondContact OD1-CD 3.3Å; D1222-R1225 IonicContact OD1-CZ 2.96Å; D1222-R1225 IonicContact OD1-NE 3.86Å; D1222-R1225 IonicContact OD1-NH1 3.05Å; D1222-R1225 PolarHBondContact OD1-NH1 2.87Å; D1222-L1226 VanDerWaalsContact O-CB 3.3Å; D1222-L1226 WeakPolarHBondContact O-CB 3.32Å; D1222-L1226 PolarHBondContact O-N 2.99Å |
| 1223 | L | 65.9 | Low | 62.9 | Low | 11.8 Ų | 11.8 | 56.3 Ų | 56.3 | 6% | 0.062 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -74 | -36.1 | 168.8 | -177.1 | 58.3 | 0 | 0 | 0 | 111.2 | L1187 L1192 I1195 I1200 L1208 V1219 P1220 L1226 I1227 | L1187-L1223 HydrophobicContact CD1-CD1 3.78Å; L1192-L1223 HydrophobicContact CD2-CD1 4.24Å; I1195-L1223 HydrophobicContact CD1-CB 4Å; I1195-L1223 HydrophobicContact CD1-CD1 3.85Å; I1195-L1223 HydrophobicContact CD1-CG 4.47Å; I1200-L1223 HydrophobicContact CD1-CD2 3.81Å; I1200-L1223 HydrophobicContact CG1-CD2 3.98Å; L1208-L1223 HydrophobicContact CD1-CD2 3.91Å; V1219-L1223 HydrophobicContact CG1-CB 3.93Å; V1219-L1223 HydrophobicContact CG1-CD2 3.93Å; V1219-L1223 HydrophobicContact CG1-CG 3.9Å; P1220-L1223 HydrophobicContact CB-CB 4.48Å; P1220-L1223 CarbonylContact O-C 3.37Å; P1220-L1223 WeakPolarHBondContact O-CA 3.29Å; P1220-L1223 WeakPolarHBondContact O-CB 3.36Å; P1220-L1223 PolarHBondContact O-N 2.95Å; L1223-L1226 HydrophobicContact CD1-CD2 4.41Å; L1223-L1226 PolarHBondContact O-N 3.07Å; L1223-I1227 HydrophobicContact CD1-CD1 4.18Å; L1223-I1227 HydrophobicContact CD1-CG1 4.2Å; L1223-I1227 HydrophobicContact CG-CD1 4.07Å; L1223-I1227 HydrophobicContact CG-CG1 4.47Å; L1223-I1227 VanDerWaalsContact O-CB 3.29Å; L1223-I1227 WeakPolarHBondContact O-CB 3.27Å; L1223-I1227 WeakPolarHBondContact O-CD1 3.34Å; L1223-I1227 VanDerWaalsContact O-CG1 3.27Å; L1223-I1227 WeakPolarHBondContact O-CG1 3.37Å; L1223-I1227 PolarHBondContact O-N 3.08Å |
| 1224 | V | 66.1 | Low | 62.9 | Low | 26.6 Ų | 26.6 | 55.2 Ų | 55.2 | 16% | 0.161 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.7 | -48.2 | 170.9 | -175.8 | 0 | 0 | 0 | 0 | 110.4 | F1216 V1219 P1220 V1221 L1226 I1227 M1228 F1235 | F1216-V1224 HydrophobicContact CD1-CG1 4.33Å; F1216-V1224 HydrophobicContact CD1-CG2 4.19Å; V1219-V1224 HydrophobicContact CB-CG2 3.85Å; V1219-V1224 HydrophobicContact CG1-CG2 3.61Å; V1219-V1224 WeakPolarHBondContact O-CG2 3.33Å; P1220-V1224 PolarHBondContact O-N 3.06Å; V1221-V1224 CarbonylContact O-C 3.52Å; V1221-V1224 WeakPolarHBondContact O-CB 3.18Å; V1221-V1224 PolarHBondContact O-N 3.11Å; V1224-L1226 VanDerWaalsContact C-N 3.33Å; V1224-L1226 PolarHBondContact O-N 3.32Å; V1224-I1227 PolarHBondContact O-N 2.87Å; V1224-M1228 HydrophobicContact CG1-CE 4.18Å; V1224-M1228 HydrophobicContact CG1-CG 4.37Å; V1224-M1228 HydrophobicContact CG1-SD 4Å; V1224-M1228 VanDerWaalsContact O-CB 3.26Å; V1224-M1228 WeakPolarHBondContact O-CB 3.35Å; V1224-M1228 VanDerWaalsContact O-CG 3.3Å; V1224-M1228 WeakPolarHBondContact O-CG 3.37Å; V1224-M1228 PolarHBondContact O-N 3.01Å; V1224-F1235 HydrophobicContact CG1-CE2 4.01Å; V1224-F1235 HydrophobicContact CG1-CZ 4.27Å |
| 1225 | R | 66.8 | Low | 63 | Low | 107.6 Ų | 107.6 | 56.9 Ų | 56.9 | 41% | 0.406 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.9 | -41.8 | 174.2 | -74.4 | 165.7 | 172.9 | 153.4 | -0.1 | 112.2 | V1221 D1222 M1228 N1229 N1846 | V1221-R1225 HydrophobicContact CG1-CG 4.46Å; V1221-R1225 WeakPolarHBondContact O-CB 3.28Å; V1221-R1225 WeakPolarHBondContact O-CD 3.49Å; V1221-R1225 VanDerWaalsContact O-CG 3.27Å; V1221-R1225 WeakPolarHBondContact O-CG 3.32Å; V1221-R1225 PolarHBondContact O-N 2.98Å; D1222-R1225 PolarHBondContact O-N 3.29Å; D1222-R1225 WeakPolarHBondContact OD1-CD 3.3Å; D1222-R1225 IonicContact OD1-CZ 2.96Å; D1222-R1225 IonicContact OD1-NE 3.86Å; D1222-R1225 IonicContact OD1-NH1 3.05Å; D1222-R1225 PolarHBondContact OD1-NH1 2.87Å; R1225-M1228 CarbonylContact O-C 3.57Å; R1225-M1228 WeakPolarHBondContact O-CB 3.01Å; R1225-M1228 PolarHBondContact O-N 2.95Å; R1225-N1229 VanDerWaalsContact O-CB 3.26Å; R1225-N1229 WeakPolarHBondContact O-CB 3.32Å; R1225-N1229 VanDerWaalsContact O-CG 3.28Å; R1225-N1229 PolarHBondContact O-N 2.97Å; R1225-N1229 PolarHBondContact O-ND2 2.94Å; R1225-N1846 WeakPolarHBondContact CB-OD1 3.38Å; R1225-N1846 VanDerWaalsContact CD-OD1 3.23Å; R1225-N1846 WeakPolarHBondContact CD-OD1 3.37Å; R1225-N1846 VanDerWaalsContact CG-OD1 3.25Å; R1225-N1846 WeakPolarHBondContact CG-OD1 3.16Å; R1225-N1846 VanDerWaalsContact NE-CG 3.34Å; R1225-N1846 PolarHBondContact NE-O 2.95Å; R1225-N1846 PolarHBondContact NH2-O 3.28Å |
| 1226 | L | 68.4 | Low | 62.7 | Low | 37.4 Ų | 37.4 | 54.9 Ų | 54.9 | 20% | 0.196 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.5 | -45.4 | 179 | -168.3 | 71.6 | 0 | 0 | 0 | 111.5 | L1187 D1191 L1192 I1195 D1222 L1223 V1224 M1228 N1229 K1230 | L1187-L1226 HydrophobicContact CD1-CD2 4.01Å; L1187-L1226 HydrophobicContact CD1-CG 4.26Å; L1187-L1226 HydrophobicContact CD2-CD2 4.01Å; L1187-L1226 HydrophobicContact CD2-CG 3.86Å; L1187-L1226 HydrophobicContact CG-CD2 4.38Å; D1191-L1226 HydrophobicContact CB-CD1 4.08Å; D1191-L1226 HydrophobicContact CB-CD2 4.11Å; D1191-L1226 HydrophobicContact CB-CG 4.26Å; D1191-L1226 VanDerWaalsContact O-CD2 3.25Å; D1191-L1226 WeakPolarHBondContact O-CD2 3.32Å; L1192-L1226 HydrophobicContact CD2-CD2 4.26Å; I1195-L1226 HydrophobicContact CD1-CB 4.12Å; I1195-L1226 HydrophobicContact CD1-CD2 3.53Å; I1195-L1226 VanDerWaalsContact CD1-CD2 3.44Å; I1195-L1226 HydrophobicContact CD1-CG 4.37Å; I1195-L1226 HydrophobicContact CG1-CD2 4.39Å; D1222-L1226 VanDerWaalsContact O-CB 3.3Å; D1222-L1226 WeakPolarHBondContact O-CB 3.32Å; D1222-L1226 PolarHBondContact O-N 2.99Å; L1223-L1226 HydrophobicContact CD1-CD2 4.41Å; L1223-L1226 PolarHBondContact O-N 3.07Å; V1224-L1226 VanDerWaalsContact C-N 3.33Å; V1224-L1226 PolarHBondContact O-N 3.32Å; L1226-M1228 VanDerWaalsContact C-N 3.32Å; L1226-M1228 PolarHBondContact O-N 3.31Å; L1226-N1229 PolarHBondContact O-N 3.01Å; L1226-N1229 VanDerWaalsContact O-N 3.17Å; L1226-K1230 HydrophobicContact CD1-CG 4.32Å; L1226-K1230 HydrophobicContact CG-CG 4.45Å; L1226-K1230 VanDerWaalsContact O-CB 3.27Å; L1226-K1230 WeakPolarHBondContact O-CB 3.33Å; L1226-K1230 WeakPolarHBondContact O-CG 3.35Å; L1226-K1230 PolarHBondContact O-N 3.17Å |
| 1227 | I | 65.5 | Low | 62.1 | Low | 3.8 Ų | 3.8 | 56.4 Ų | 56.4 | 2% | 0.019 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 174.5 | -67.6 | 164.9 | 0 | 0 | 0 | 110.4 | M1185 L1187 F1216 L1223 V1224 N1229 K1230 N1231 L1234 F1235 | M1185-I1227 HydrophobicContact CE-CD1 4.09Å; M1185-I1227 HydrophobicContact SD-CD1 3.56Å; M1185-I1227 VanDerWaalsContact SD-CD1 3.51Å; M1185-I1227 HydrophobicContact SD-CG1 3.94Å; M1185-I1227 HydrophobicContact SD-CG2 3.95Å; L1187-I1227 HydrophobicContact CD1-CD1 4.39Å; L1187-I1227 HydrophobicContact CD1-CG1 4.09Å; L1187-I1227 HydrophobicContact CD2-CG1 4.13Å; L1187-I1227 HydrophobicContact CG-CG1 4.02Å; F1216-I1227 HydrophobicContact CE1-CD1 4.24Å; F1216-I1227 HydrophobicContact CE1-CG2 4.43Å; L1223-I1227 HydrophobicContact CD1-CD1 4.18Å; L1223-I1227 HydrophobicContact CD1-CG1 4.2Å; L1223-I1227 HydrophobicContact CG-CD1 4.07Å; L1223-I1227 HydrophobicContact CG-CG1 4.47Å; L1223-I1227 VanDerWaalsContact O-CB 3.29Å; L1223-I1227 WeakPolarHBondContact O-CB 3.27Å; L1223-I1227 WeakPolarHBondContact O-CD1 3.34Å; L1223-I1227 VanDerWaalsContact O-CG1 3.27Å; L1223-I1227 WeakPolarHBondContact O-CG1 3.37Å; L1223-I1227 PolarHBondContact O-N 3.08Å; V1224-I1227 PolarHBondContact O-N 2.87Å; I1227-N1229 VanDerWaalsContact C-N 3.3Å; I1227-N1229 PolarHBondContact O-N 3.03Å; I1227-K1230 PolarHBondContact O-N 3.1Å; I1227-N1231 CarbonylContact O-C 3.46Å; I1227-N1231 VanDerWaalsContact O-C 3.24Å; I1227-N1231 VanDerWaalsContact O-CA 3.24Å; I1227-N1231 WeakPolarHBondContact O-CA 3.32Å; I1227-N1231 PolarHBondContact O-N 3.14Å; I1227-L1234 HydrophobicContact CG2-CB 3.63Å; I1227-L1234 HydrophobicContact CG2-CD2 3.52Å; I1227-L1234 HydrophobicContact CG2-CG 4.2Å; I1227-F1235 HydrophobicContact CG2-CB 4.23Å; I1227-F1235 HydrophobicContact CG2-CD2 4.33Å |
| 1228 | M | 64.3 | Low | 61.6 | Low | 53 Ų | 53 | 52.9 Ų | 52.9 | 26% | 0.261 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.5 | -41.5 | 176.4 | -111.5 | -179.4 | 75.6 | 0 | 0 | 112.9 | V1224 R1225 L1226 P1232 F1235 V1731 Q1755 | V1224-M1228 HydrophobicContact CG1-CE 4.18Å; V1224-M1228 HydrophobicContact CG1-CG 4.37Å; V1224-M1228 HydrophobicContact CG1-SD 4Å; V1224-M1228 VanDerWaalsContact O-CB 3.26Å; V1224-M1228 WeakPolarHBondContact O-CB 3.35Å; V1224-M1228 VanDerWaalsContact O-CG 3.3Å; V1224-M1228 WeakPolarHBondContact O-CG 3.37Å; V1224-M1228 PolarHBondContact O-N 3.01Å; R1225-M1228 CarbonylContact O-C 3.57Å; R1225-M1228 WeakPolarHBondContact O-CB 3.01Å; R1225-M1228 PolarHBondContact O-N 2.95Å; L1226-M1228 VanDerWaalsContact C-N 3.32Å; L1226-M1228 PolarHBondContact O-N 3.31Å; M1228-P1232 WeakPolarHBondContact O-CA 3.45Å; M1228-P1232 WeakPolarHBondContact O-CB 3.17Å; M1228-P1232 VanDerWaalsContact O-CD 3.25Å; M1228-P1232 WeakPolarHBondContact O-CD 3.35Å; M1228-P1232 VanDerWaalsContact O-N 3.14Å; M1228-F1235 HydrophobicContact CB-CD1 4.26Å; M1228-F1235 HydrophobicContact CB-CD2 4.35Å; M1228-F1235 HydrophobicContact CB-CE2 4.42Å; M1228-F1235 HydrophobicContact CB-CG 4.26Å; M1228-F1235 HydrophobicContact CE-CD1 4.12Å; M1228-F1235 HydrophobicContact CE-CD2 3.96Å; M1228-F1235 HydrophobicContact CE-CE1 3.65Å; M1228-F1235 VanDerWaalsContact CE-CE1 3.42Å; M1228-F1235 HydrophobicContact CE-CE2 3.58Å; M1228-F1235 VanDerWaalsContact CE-CE2 3.46Å; M1228-F1235 HydrophobicContact CE-CG 4.17Å; M1228-F1235 HydrophobicContact CE-CZ 3.67Å; M1228-F1235 HydrophobicContact CG-CB 4.04Å; M1228-F1235 HydrophobicContact CG-CD1 3.96Å; M1228-F1235 HydrophobicContact CG-CD2 3.63Å; M1228-F1235 HydrophobicContact CG-CE1 4.09Å; M1228-F1235 HydrophobicContact CG-CE2 4.02Å; M1228-F1235 HydrophobicContact CG-CG 3.96Å; M1228-F1235 HydrophobicContact CG-CZ 4.18Å; M1228-F1235 HydrophobicContact SD-CD1 4.27Å; M1228-F1235 HydrophobicContact SD-CD2 3.59Å; M1228-F1235 VanDerWaalsContact SD-CD2 3.59Å; M1228-F1235 HydrophobicContact SD-CE1 4.06Å; M1228-F1235 HydrophobicContact SD-CE2 3.86Å; M1228-F1235 HydrophobicContact SD-CG 4.18Å; M1228-F1235 HydrophobicContact SD-CZ 4.15Å; M1228-V1731 HydrophobicContact CE-CG1 3.33Å; M1228-V1731 HydrophobicContact SD-CG1 3.54Å; M1228-V1731 VanDerWaalsContact SD-CG1 3.54Å; M1228-Q1755 VanDerWaalsContact CB-OE1 3.25Å; M1228-Q1755 HydrophobicContact CE-CB 3.71Å; M1228-Q1755 HydrophobicContact CE-CG 4.05Å; M1228-Q1755 VanDerWaalsContact CG-OE1 3.28Å; M1228-Q1755 HydrophobicContact SD-CB 4.44Å; M1228-Q1755 HydrophobicContact SD-CG 4.14Å; M1228-Q1755 PolarHBondContact SD-NE2 3.45Å; M1228-Q1755 VanDerWaalsContact SD-NE2 3.38Å; M1228-Q1755 PolarHBondContact SD-OE1 3.37Å |
| 1229 | N | 68.2 | Low | 61.3 | Low | 122.6 Ų | 122.6 | 51 Ų | 51 | 66% | 0.656 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -79.1 | -31.9 | -177.8 | -106.4 | -13.7 | 0 | 0 | 0 | 113.2 | R1225 L1226 I1227 | R1225-N1229 VanDerWaalsContact O-CB 3.26Å; R1225-N1229 WeakPolarHBondContact O-CB 3.32Å; R1225-N1229 VanDerWaalsContact O-CG 3.28Å; R1225-N1229 PolarHBondContact O-N 2.97Å; R1225-N1229 PolarHBondContact O-ND2 2.94Å; L1226-N1229 PolarHBondContact O-N 3.01Å; L1226-N1229 VanDerWaalsContact O-N 3.17Å; I1227-N1229 VanDerWaalsContact C-N 3.3Å; I1227-N1229 PolarHBondContact O-N 3.03Å |
| 1230 | K | 68.3 | Low | 60.5 | Low | 107.8 Ų | 107.8 | 52.1 Ų | 52.1 | 47% | 0.469 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -94.2 | -29.3 | -176.4 | -74.3 | -79.7 | 172.3 | 149.3 | 0 | 113.9 | L1187 D1191 L1226 I1227 | L1187-K1230 HydrophobicContact CD2-CB 3.78Å; L1187-K1230 HydrophobicContact CD2-CG 4.08Å; D1191-K1230 HydrophobicContact CB-CG 4.41Å; D1191-K1230 VanDerWaalsContact CG-CE 3.45Å; D1191-K1230 WeakPolarHBondContact OD1-CD 3.44Å; D1191-K1230 WeakPolarHBondContact OD1-CE 3.32Å; D1191-K1230 IonicContact OD1-NZ 3.03Å; D1191-K1230 PolarHBondContact OD1-NZ 2.93Å; D1191-K1230 WeakPolarHBondContact OD2-CE 3.47Å; D1191-K1230 IonicContact OD2-NZ 2.91Å; D1191-K1230 PolarHBondContact OD2-NZ 3.18Å; L1226-K1230 HydrophobicContact CD1-CG 4.32Å; L1226-K1230 HydrophobicContact CG-CG 4.45Å; L1226-K1230 VanDerWaalsContact O-CB 3.27Å; L1226-K1230 WeakPolarHBondContact O-CB 3.33Å; L1226-K1230 WeakPolarHBondContact O-CG 3.35Å; L1226-K1230 PolarHBondContact O-N 3.17Å; I1227-K1230 PolarHBondContact O-N 3.1Å |
| 1231 | N | 62.3 | Low | 59.6 | Low | 36.8 Ų | 36.8 | 54.1 Ų | 54.1 | 20% | 0.197 | 28% | 0.282 | C | S | . | . | trans | -142.9 | 66.7 | -179.8 | -147.5 | -19.2 | 0 | 0 | 0 | 110.7 | M1185 G1186 I1227 T1233 L1234 F1235 | M1185-N1231 VanDerWaalsContact C-ND2 3.25Å; M1185-N1231 WeakPolarHBondContact O-CB 3.48Å; M1185-N1231 PolarHBondContact O-ND2 3.1Å; G1186-N1231 WeakPolarHBondContact CA-ND2 3.44Å; G1186-N1231 PolarHBondContact N-ND2 3.28Å; I1227-N1231 CarbonylContact O-C 3.46Å; I1227-N1231 VanDerWaalsContact O-C 3.24Å; I1227-N1231 VanDerWaalsContact O-CA 3.24Å; I1227-N1231 WeakPolarHBondContact O-CA 3.32Å; I1227-N1231 PolarHBondContact O-N 3.14Å; N1231-T1233 VanDerWaalsContact C-N 3.27Å; N1231-T1233 WeakPolarHBondContact CA-OG1 3.43Å; N1231-T1233 WeakPolarHBondContact CB-OG1 3.39Å; N1231-T1233 CarbonylContact O-C 3.57Å; N1231-T1233 PolarHBondContact O-N 3.13Å; N1231-T1233 PolarHBondContact O-OG1 2.95Å; N1231-T1233 PolarHBondContact OD1-OG1 3Å; N1231-L1234 HydrophobicContact CB-CB 4.13Å; N1231-L1234 HydrophobicContact CB-CD1 4.24Å; N1231-L1234 VanDerWaalsContact CG-CB 3.49Å; N1231-L1234 WeakPolarHBondContact ND2-CB 3.39Å; N1231-L1234 CarbonylContact O-C 3.33Å; N1231-L1234 WeakPolarHBondContact O-CB 3.35Å; N1231-L1234 PolarHBondContact O-N 2.91Å; N1231-L1234 VanDerWaalsContact O-N 3.12Å; N1231-L1234 VanDerWaalsContact OD1-CB 3.3Å; N1231-L1234 WeakPolarHBondContact OD1-CB 3.3Å; N1231-L1234 PolarHBondContact OD1-N 3.32Å; N1231-L1234 VanDerWaalsContact OD1-N 3.16Å; N1231-F1235 PolarHBondContact O-N 3.16Å; N1231-F1235 VanDerWaalsContact O-N 3.09Å | ||
| 1232 | P | 58.6 | Low | 58.5 | Low | 55 Ų | 55 | 53.6 Ų | 53.6 | 36% | 0.357 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.6 | -23.1 | -179.7 | 24.7 | -33.6 | 0 | 0 | 0 | 112.9 | M1228 F1235 G1236 M1634 V1779 | M1228-P1232 WeakPolarHBondContact O-CA 3.45Å; M1228-P1232 WeakPolarHBondContact O-CB 3.17Å; M1228-P1232 VanDerWaalsContact O-CD 3.25Å; M1228-P1232 WeakPolarHBondContact O-CD 3.35Å; M1228-P1232 VanDerWaalsContact O-N 3.14Å; P1232-F1235 PolarHBondContact O-N 3.42Å; P1232-G1236 VanDerWaalsContact O-CA 3.26Å; P1232-G1236 WeakPolarHBondContact O-CA 3.47Å; P1232-G1236 PolarHBondContact O-N 3.41Å; P1232-M1634 HydrophobicContact CB-CE 3.56Å; P1232-M1634 HydrophobicContact CB-SD 3.82Å; P1232-M1634 HydrophobicContact CG-CE 3.94Å; P1232-M1634 HydrophobicContact CG-SD 3.65Å; P1232-V1779 HydrophobicContact CB-CG2 4.26Å |
| 1233 | T | 57.3 | Low | 57.4 | Low | 71 Ų | 71 | 51.5 Ų | 51.5 | 44% | 0.436 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.3 | -48.8 | 169.1 | 47.5 | 0 | 0 | 0 | 0 | 111.6 | N1231 F1235 G1236 E1237 P1633 M1634 M1658 F1803 | N1231-T1233 VanDerWaalsContact C-N 3.27Å; N1231-T1233 WeakPolarHBondContact CA-OG1 3.43Å; N1231-T1233 WeakPolarHBondContact CB-OG1 3.39Å; N1231-T1233 CarbonylContact O-C 3.57Å; N1231-T1233 PolarHBondContact O-N 3.13Å; N1231-T1233 PolarHBondContact O-OG1 2.95Å; N1231-T1233 PolarHBondContact OD1-OG1 3Å; T1233-F1235 VanDerWaalsContact C-N 3.34Å; T1233-F1235 PolarHBondContact O-N 2.9Å; T1233-G1236 CarbonylContact O-C 3.38Å; T1233-G1236 WeakPolarHBondContact O-CA 3.25Å; T1233-G1236 PolarHBondContact O-N 3.01Å; T1233-E1237 VanDerWaalsContact O-CB 3.24Å; T1233-E1237 WeakPolarHBondContact O-CB 3.47Å; T1233-E1237 WeakPolarHBondContact O-CG 3.44Å; T1233-E1237 PolarHBondContact O-N 2.91Å; T1233-P1633 VanDerWaalsContact CA-O 3.24Å; T1233-P1633 WeakPolarHBondContact CA-O 3.36Å; T1233-P1633 WeakPolarHBondContact CB-O 3.43Å; T1233-P1633 HydrophobicContact CG2-CB 4.17Å; T1233-P1633 VanDerWaalsContact CG2-O 3.28Å; T1233-P1633 WeakPolarHBondContact CG2-O 3.43Å; T1233-M1634 VanDerWaalsContact CA-CG 3.44Å; T1233-M1634 HydrophobicContact CG2-CG 3.75Å; T1233-M1634 HydrophobicContact CG2-SD 4.47Å; T1233-M1634 VanDerWaalsContact N-CG 3.31Å; T1233-M1658 WeakPolarHBondContact O-CG 3.26Å; T1233-F1803 HydrophobicContact CG2-CD2 3.92Å; T1233-F1803 HydrophobicContact CG2-CE2 3.93Å |
| 1234 | L | 55.5 | Low | 56.2 | Low | 40.2 Ų | 40.2 | 54.1 Ų | 54.1 | 21% | 0.21 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.9 | -37.1 | 176 | -163.4 | 71.2 | 0 | 0 | 0 | 112.3 | M1185 F1216 I1227 N1231 G1236 E1237 L1238 M1658 | M1185-L1234 VanDerWaalsContact C-CD2 3.42Å; M1185-L1234 HydrophobicContact CB-CD2 3.68Å; M1185-L1234 HydrophobicContact CG-CD2 4.04Å; M1185-L1234 WeakPolarHBondContact O-CD2 3.44Å; M1185-L1234 HydrophobicContact SD-CD2 3.79Å; F1216-L1234 HydrophobicContact CZ-CD2 3.85Å; I1227-L1234 HydrophobicContact CG2-CB 3.63Å; I1227-L1234 HydrophobicContact CG2-CD2 3.52Å; I1227-L1234 HydrophobicContact CG2-CG 4.2Å; N1231-L1234 HydrophobicContact CB-CB 4.13Å; N1231-L1234 HydrophobicContact CB-CD1 4.24Å; N1231-L1234 VanDerWaalsContact CG-CB 3.49Å; N1231-L1234 WeakPolarHBondContact ND2-CB 3.39Å; N1231-L1234 CarbonylContact O-C 3.33Å; N1231-L1234 WeakPolarHBondContact O-CB 3.35Å; N1231-L1234 PolarHBondContact O-N 2.91Å; N1231-L1234 VanDerWaalsContact O-N 3.12Å; N1231-L1234 VanDerWaalsContact OD1-CB 3.3Å; N1231-L1234 WeakPolarHBondContact OD1-CB 3.3Å; N1231-L1234 PolarHBondContact OD1-N 3.32Å; N1231-L1234 VanDerWaalsContact OD1-N 3.16Å; L1234-G1236 VanDerWaalsContact C-N 3.33Å; L1234-G1236 PolarHBondContact O-N 2.79Å; L1234-G1236 VanDerWaalsContact O-N 3.08Å; L1234-E1237 PolarHBondContact O-N 2.93Å; L1234-L1238 HydrophobicContact CD1-CD1 4.1Å; L1234-L1238 HydrophobicContact CD1-CG 4.22Å; L1234-L1238 HydrophobicContact CD2-CD1 4.41Å; L1234-L1238 HydrophobicContact CG-CD1 3.91Å; L1234-L1238 HydrophobicContact CG-CG 4.41Å; L1234-L1238 VanDerWaalsContact O-CB 3.24Å; L1234-L1238 WeakPolarHBondContact O-CB 3.35Å; L1234-L1238 WeakPolarHBondContact O-CD1 3.25Å; L1234-L1238 VanDerWaalsContact O-CG 3.25Å; L1234-L1238 WeakPolarHBondContact O-CG 3.32Å; L1234-L1238 PolarHBondContact O-N 3.2Å; L1234-M1658 WeakPolarHBondContact CA-SD 3.36Å; L1234-M1658 HydrophobicContact CB-CE 4.45Å; L1234-M1658 HydrophobicContact CD1-CE 3.57Å; L1234-M1658 HydrophobicContact CG-CE 3.92Å |
| 1235 | F | 58.1 | Low | 54.9 | Low | 40.8 Ų | 40.8 | 57.1 Ų | 57.1 | 18% | 0.179 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.9 | -32.4 | 172.3 | -172.9 | -102.6 | 0 | 0 | 0 | 111.6 | F1216 V1224 I1227 M1228 N1231 P1232 T1233 E1237 L1238 V1239 R1660 V1779 H1850 | F1216-F1235 HydrophobicContact CD2-CE2 4.15Å; F1216-F1235 HydrophobicContact CE1-CD2 4.5Å; F1216-F1235 AromaticContact CE2-CD2 3.88Å; F1216-F1235 HydrophobicContact CE2-CD2 3.88Å; F1216-F1235 AromaticContact CE2-CE2 3.82Å; F1216-F1235 HydrophobicContact CE2-CE2 3.82Å; F1216-F1235 AromaticContact CZ-CD2 3.97Å; F1216-F1235 HydrophobicContact CZ-CD2 3.97Å; F1216-F1235 HydrophobicContact CZ-CE2 4.22Å; V1224-F1235 HydrophobicContact CG1-CE2 4.01Å; V1224-F1235 HydrophobicContact CG1-CZ 4.27Å; I1227-F1235 HydrophobicContact CG2-CB 4.23Å; I1227-F1235 HydrophobicContact CG2-CD2 4.33Å; M1228-F1235 HydrophobicContact CB-CD1 4.26Å; M1228-F1235 HydrophobicContact CB-CD2 4.35Å; M1228-F1235 HydrophobicContact CB-CE2 4.42Å; M1228-F1235 HydrophobicContact CB-CG 4.26Å; M1228-F1235 HydrophobicContact CE-CD1 4.12Å; M1228-F1235 HydrophobicContact CE-CD2 3.96Å; M1228-F1235 HydrophobicContact CE-CE1 3.65Å; M1228-F1235 VanDerWaalsContact CE-CE1 3.42Å; M1228-F1235 HydrophobicContact CE-CE2 3.58Å; M1228-F1235 VanDerWaalsContact CE-CE2 3.46Å; M1228-F1235 HydrophobicContact CE-CG 4.17Å; M1228-F1235 HydrophobicContact CE-CZ 3.67Å; M1228-F1235 HydrophobicContact CG-CB 4.04Å; M1228-F1235 HydrophobicContact CG-CD1 3.96Å; M1228-F1235 HydrophobicContact CG-CD2 3.63Å; M1228-F1235 HydrophobicContact CG-CE1 4.09Å; M1228-F1235 HydrophobicContact CG-CE2 4.02Å; M1228-F1235 HydrophobicContact CG-CG 3.96Å; M1228-F1235 HydrophobicContact CG-CZ 4.18Å; M1228-F1235 HydrophobicContact SD-CD1 4.27Å; M1228-F1235 HydrophobicContact SD-CD2 3.59Å; M1228-F1235 VanDerWaalsContact SD-CD2 3.59Å; M1228-F1235 HydrophobicContact SD-CE1 4.06Å; M1228-F1235 HydrophobicContact SD-CE2 3.86Å; M1228-F1235 HydrophobicContact SD-CG 4.18Å; M1228-F1235 HydrophobicContact SD-CZ 4.15Å; N1231-F1235 PolarHBondContact O-N 3.16Å; N1231-F1235 VanDerWaalsContact O-N 3.09Å; P1232-F1235 PolarHBondContact O-N 3.42Å; T1233-F1235 VanDerWaalsContact C-N 3.34Å; T1233-F1235 PolarHBondContact O-N 2.9Å; F1235-E1237 VanDerWaalsContact C-N 3.31Å; F1235-E1237 PolarHBondContact O-N 3.11Å; F1235-L1238 CarbonylContact O-C 3.54Å; F1235-L1238 VanDerWaalsContact O-C 3.27Å; F1235-L1238 PolarHBondContact O-N 2.95Å; F1235-L1238 VanDerWaalsContact O-N 3.11Å; F1235-V1239 HydrophobicContact CD1-CG2 4.14Å; F1235-V1239 HydrophobicContact CD2-CG2 4.3Å; F1235-V1239 HydrophobicContact CE1-CG2 3.82Å; F1235-V1239 HydrophobicContact CE2-CG2 3.99Å; F1235-V1239 HydrophobicContact CG-CG2 4.36Å; F1235-V1239 HydrophobicContact CZ-CG2 3.83Å; F1235-V1239 WeakPolarHBondContact O-CA 3.18Å; F1235-V1239 WeakPolarHBondContact O-CB 3.24Å; F1235-V1239 WeakPolarHBondContact O-CG2 3.35Å; F1235-V1239 PolarHBondContact O-N 3.08Å; F1235-R1660 VanDerWaalsContact C-CZ 3.42Å; F1235-R1660 VanDerWaalsContact CG-NH1 3.33Å; F1235-R1660 WeakPolarHBondContact O-CD 3.26Å; F1235-R1660 PolarHBondContact O-NE 3.33Å; F1235-R1660 VanDerWaalsContact O-NE 3.13Å; F1235-R1660 PolarHBondContact O-NH1 3.35Å; F1235-R1660 PolarHBondContact O-NH2 2.95Å; F1235-V1779 HydrophobicContact CD1-CB 4.36Å; F1235-V1779 HydrophobicContact CD1-CG1 4.2Å; F1235-H1850 AromaticContact CD1-CD2 3.87Å; F1235-H1850 AromaticContact CE1-CD2 3.79Å |
| 1236 | G | 54 | Low | 53.4 | Low | 9.8 Ų | 9.8 | 54.5 Ų | 54.5 | 10% | 0.101 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.8 | -36.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | P1232 T1233 L1234 L1238 V1239 S1240 S1636 M1658 I1659 R1660 | P1232-G1236 VanDerWaalsContact O-CA 3.26Å; P1232-G1236 WeakPolarHBondContact O-CA 3.47Å; P1232-G1236 PolarHBondContact O-N 3.41Å; T1233-G1236 CarbonylContact O-C 3.38Å; T1233-G1236 WeakPolarHBondContact O-CA 3.25Å; T1233-G1236 PolarHBondContact O-N 3.01Å; L1234-G1236 VanDerWaalsContact C-N 3.33Å; L1234-G1236 PolarHBondContact O-N 2.79Å; L1234-G1236 VanDerWaalsContact O-N 3.08Å; G1236-L1238 VanDerWaalsContact C-N 3.34Å; G1236-L1238 PolarHBondContact O-N 3.29Å; G1236-V1239 CarbonylContact O-C 3.06Å; G1236-V1239 PolarHBondContact O-N 3.46Å; G1236-S1240 VanDerWaalsContact O-CB 3.24Å; G1236-S1240 WeakPolarHBondContact O-CB 3.4Å; G1236-S1240 PolarHBondContact O-N 3.1Å; G1236-S1240 PolarHBondContact O-OG 3.28Å; G1236-S1636 VanDerWaalsContact O-CA 3.29Å; G1236-S1636 WeakPolarHBondContact O-CA 2.89Å; G1236-M1658 VanDerWaalsContact C-C 3.48Å; G1236-M1658 CarbonylContact C-O 3.6Å; G1236-M1658 VanDerWaalsContact C-O 3.22Å; G1236-M1658 VanDerWaalsContact CA-O 3.31Å; G1236-M1658 WeakPolarHBondContact CA-O 3.15Å; G1236-M1658 CarbonylContact O-C 3.22Å; G1236-M1658 VanDerWaalsContact O-C 3.31Å; G1236-I1659 CarbonylContact O-C 3.29Å; G1236-I1659 VanDerWaalsContact O-C 3.27Å; G1236-R1660 VanDerWaalsContact C-CD 3.48Å; G1236-R1660 WeakPolarHBondContact O-CA 3.25Å; G1236-R1660 WeakPolarHBondContact O-CB 3.29Å; G1236-R1660 WeakPolarHBondContact O-CD 3.22Å; G1236-R1660 WeakPolarHBondContact O-CG 3.41Å; G1236-R1660 PolarHBondContact O-N 2.69Å |
| 1237 | E | 51.5 | Low | 51.8 | Low | 74.8 Ų | 74.8 | 56.6 Ų | 56.6 | 35% | 0.35 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -75.3 | -38.4 | 178.2 | -96.7 | -157.8 | 178.2 | 0 | 0 | 113 | E841 T1233 L1234 F1235 V1239 S1240 K1241 P1657 M1658 I1659 R1660 E1681 S1682 L1683 F1803 | E841-E1237 WeakPolarHBondContact CG-O 3.13Å; E841-E1237 VanDerWaalsContact OE1-O 3.12Å; T1233-E1237 VanDerWaalsContact O-CB 3.24Å; T1233-E1237 WeakPolarHBondContact O-CB 3.47Å; T1233-E1237 WeakPolarHBondContact O-CG 3.44Å; T1233-E1237 PolarHBondContact O-N 2.91Å; L1234-E1237 PolarHBondContact O-N 2.93Å; F1235-E1237 VanDerWaalsContact C-N 3.31Å; F1235-E1237 PolarHBondContact O-N 3.11Å; E1237-V1239 PolarHBondContact O-N 2.91Å; E1237-S1240 VanDerWaalsContact C-N 3.29Å; E1237-S1240 WeakPolarHBondContact CA-OG 3.31Å; E1237-S1240 WeakPolarHBondContact O-CA 3.2Å; E1237-S1240 PolarHBondContact O-N 3.09Å; E1237-S1240 PolarHBondContact O-OG 3.02Å; E1237-S1240 VanDerWaalsContact O-OG 3.12Å; E1237-K1241 VanDerWaalsContact O-CB 3.24Å; E1237-K1241 WeakPolarHBondContact O-CB 3.4Å; E1237-K1241 VanDerWaalsContact O-CD 3.3Å; E1237-K1241 WeakPolarHBondContact O-CD 3.33Å; E1237-K1241 WeakPolarHBondContact O-CG 3.21Å; E1237-K1241 PolarHBondContact O-N 3.25Å; E1237-K1241 WeakPolarHBondContact OE1-CE 3.43Å; E1237-K1241 IonicContact OE1-NZ 3.15Å; E1237-K1241 PolarHBondContact OE1-NZ 3.36Å; E1237-K1241 IonicContact OE2-NZ 2.91Å; E1237-K1241 PolarHBondContact OE2-NZ 3.21Å; E1237-P1657 VanDerWaalsContact OE1-C 3.26Å; E1237-M1658 HydrophobicContact CB-SD 3.92Å; E1237-I1659 WeakPolarHBondContact CG-O 3.35Å; E1237-R1660 VanDerWaalsContact C-CG 3.47Å; E1237-E1681 PolarHBondContact OE1-N 2.79Å; E1237-S1682 CarbonylContact O-C 3.27Å; E1237-S1682 VanDerWaalsContact O-C 3.25Å; E1237-S1682 WeakPolarHBondContact OE2-CA 3.42Å; E1237-S1682 WeakPolarHBondContact OE2-CB 3.5Å; E1237-S1682 PolarHBondContact OE2-N 2.94Å; E1237-S1682 PolarHBondContact OE2-OG 3.01Å; E1237-L1683 PolarHBondContact O-N 2.95Å; E1237-F1803 HydrophobicContact CG-CE1 4.09Å; E1237-F1803 HydrophobicContact CG-CZ 3.64Å |
| 1238 | L | 47.1 | Very low | 50.3 | Low | 23.6 Ų | 23.6 | 62.7 Ų | 62.7 | 12% | 0.124 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.8 | -45.6 | 177.7 | -70.6 | 156.5 | 0 | 0 | 0 | 112.9 | E841 M1185 T1213 F1216 L1234 F1235 G1236 S1240 K1241 Q1242 R1660 K1706 F1946 L1947 | E841-L1238 VanDerWaalsContact CB-O 3.23Å; E841-L1238 WeakPolarHBondContact CB-O 3.48Å; E841-L1238 WeakPolarHBondContact CG-O 3.41Å; M1185-L1238 HydrophobicContact CE-CD1 4.44Å; M1185-L1238 HydrophobicContact SD-CD1 4.44Å; T1213-L1238 HydrophobicContact CG2-CD2 3.53Å; F1216-L1238 HydrophobicContact CB-CD2 3.9Å; F1216-L1238 HydrophobicContact CD2-CD1 3.8Å; F1216-L1238 HydrophobicContact CD2-CD2 3.73Å; F1216-L1238 HydrophobicContact CD2-CG 4.46Å; F1216-L1238 HydrophobicContact CE2-CB 4.05Å; F1216-L1238 HydrophobicContact CE2-CD1 4.15Å; F1216-L1238 HydrophobicContact CE2-CD2 4.39Å; F1216-L1238 HydrophobicContact CE2-CG 4.45Å; F1216-L1238 HydrophobicContact CG-CD2 4.19Å; F1216-L1238 HydrophobicContact CZ-CB 4.32Å; F1216-L1238 HydrophobicContact CZ-CD1 3.88Å; L1234-L1238 HydrophobicContact CD1-CD1 4.1Å; L1234-L1238 HydrophobicContact CD1-CG 4.22Å; L1234-L1238 HydrophobicContact CD2-CD1 4.41Å; L1234-L1238 HydrophobicContact CG-CD1 3.91Å; L1234-L1238 HydrophobicContact CG-CG 4.41Å; L1234-L1238 VanDerWaalsContact O-CB 3.24Å; L1234-L1238 WeakPolarHBondContact O-CB 3.35Å; L1234-L1238 WeakPolarHBondContact O-CD1 3.25Å; L1234-L1238 VanDerWaalsContact O-CG 3.25Å; L1234-L1238 WeakPolarHBondContact O-CG 3.32Å; L1234-L1238 PolarHBondContact O-N 3.2Å; F1235-L1238 CarbonylContact O-C 3.54Å; F1235-L1238 VanDerWaalsContact O-C 3.27Å; F1235-L1238 PolarHBondContact O-N 2.95Å; F1235-L1238 VanDerWaalsContact O-N 3.11Å; G1236-L1238 VanDerWaalsContact C-N 3.34Å; G1236-L1238 PolarHBondContact O-N 3.29Å; L1238-S1240 VanDerWaalsContact C-N 3.33Å; L1238-S1240 PolarHBondContact O-N 2.86Å; L1238-K1241 CarbonylContact O-C 3.56Å; L1238-K1241 PolarHBondContact O-N 2.86Å; L1238-K1241 VanDerWaalsContact O-N 3.13Å; L1238-Q1242 WeakPolarHBondContact O-CB 3.24Å; L1238-Q1242 PolarHBondContact O-N 3.03Å; L1238-Q1242 VanDerWaalsContact O-N 3.07Å; L1238-R1660 VanDerWaalsContact N-NE 3.11Å; L1238-R1660 WeakPolarHBondContact O-CG 3.16Å; L1238-K1706 HydrophobicContact CD2-CD 4.34Å; L1238-K1706 HydrophobicContact CG-CD 4.24Å; L1238-F1946 WeakPolarHBondContact CD2-O 3.26Å; L1238-L1947 HydrophobicContact CB-CD1 3.59Å; L1238-L1947 HydrophobicContact CD2-CD1 4.26Å; L1238-L1947 HydrophobicContact CG-CD1 4.46Å; L1238-L1947 WeakPolarHBondContact O-CD1 3.42Å |
| 1239 | V | 53 | Low | 48.8 | Very low | 37.4 Ų | 37.4 | 62.3 Ų | 62.3 | 23% | 0.227 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.7 | -36.8 | 174.8 | 177 | 0 | 0 | 0 | 0 | 112.2 | A840 E841 F1235 G1236 E1237 K1241 Q1242 L1243 R1660 E1684 V1780 | A840-V1239 CarbonylContact C-O 2.96Å; A840-V1239 WeakPolarHBondContact CA-O 3.4Å; A840-V1239 HydrophobicContact CB-CG1 4.33Å; A840-V1239 WeakPolarHBondContact CB-O 3.32Å; E841-V1239 VanDerWaalsContact N-C 3.25Å; E841-V1239 PolarHBondContact N-O 2.84Å; F1235-V1239 HydrophobicContact CD1-CG2 4.14Å; F1235-V1239 HydrophobicContact CD2-CG2 4.3Å; F1235-V1239 HydrophobicContact CE1-CG2 3.82Å; F1235-V1239 HydrophobicContact CE2-CG2 3.99Å; F1235-V1239 HydrophobicContact CG-CG2 4.36Å; F1235-V1239 HydrophobicContact CZ-CG2 3.83Å; F1235-V1239 WeakPolarHBondContact O-CA 3.18Å; F1235-V1239 WeakPolarHBondContact O-CB 3.24Å; F1235-V1239 WeakPolarHBondContact O-CG2 3.35Å; F1235-V1239 PolarHBondContact O-N 3.08Å; G1236-V1239 CarbonylContact O-C 3.06Å; G1236-V1239 PolarHBondContact O-N 3.46Å; E1237-V1239 PolarHBondContact O-N 2.91Å; V1239-K1241 VanDerWaalsContact C-N 3.29Å; V1239-K1241 CarbonylContact O-C 2.78Å; V1239-K1241 WeakPolarHBondContact O-CA 3.23Å; V1239-K1241 PolarHBondContact O-N 3.03Å; V1239-Q1242 CarbonylContact O-C 3.59Å; V1239-Q1242 WeakPolarHBondContact O-CB 3.12Å; V1239-Q1242 PolarHBondContact O-N 3.13Å; V1239-Q1242 VanDerWaalsContact O-N 3.1Å; V1239-L1243 HydrophobicContact CG1-CD1 4.03Å; V1239-L1243 HydrophobicContact CG1-CG 4.37Å; V1239-L1243 WeakPolarHBondContact O-CB 3.32Å; V1239-L1243 WeakPolarHBondContact O-CG 3.19Å; V1239-L1243 PolarHBondContact O-N 3.04Å; V1239-L1243 VanDerWaalsContact O-N 3.1Å; V1239-R1660 VanDerWaalsContact CG2-CZ 3.47Å; V1239-E1684 WeakPolarHBondContact CA-OE1 3.34Å; V1239-E1684 PolarHBondContact N-OE1 3.44Å; V1239-V1780 HydrophobicContact CB-CG2 4.12Å; V1239-V1780 HydrophobicContact CG1-CB 4.31Å; V1239-V1780 HydrophobicContact CG1-CG1 4.02Å; V1239-V1780 HydrophobicContact CG1-CG2 3.9Å |
| 1240 | S | 45.9 | Very low | 47 | Very low | 34 Ų | 34 | 64.4 Ų | 64.4 | 24% | 0.238 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -71.1 | -37.8 | 178.9 | 70.4 | 0 | 0 | 0 | 0 | 113.7 | A840 E841 G1236 E1237 L1238 Q1242 L1243 N1244 R1660 F1661 L1804 | A840-S1240 CarbonylContact C-O 3.09Å; A840-S1240 WeakPolarHBondContact CA-O 2.86Å; A840-S1240 PolarHBondContact N-O 2.8Å; E841-S1240 VanDerWaalsContact CG-C 3.49Å; E841-S1240 VanDerWaalsContact N-C 3.26Å; E841-S1240 PolarHBondContact N-O 2.79Å; G1236-S1240 VanDerWaalsContact O-CB 3.24Å; G1236-S1240 WeakPolarHBondContact O-CB 3.4Å; G1236-S1240 PolarHBondContact O-N 3.1Å; G1236-S1240 PolarHBondContact O-OG 3.28Å; E1237-S1240 VanDerWaalsContact C-N 3.29Å; E1237-S1240 WeakPolarHBondContact CA-OG 3.31Å; E1237-S1240 WeakPolarHBondContact O-CA 3.2Å; E1237-S1240 PolarHBondContact O-N 3.09Å; E1237-S1240 PolarHBondContact O-OG 3.02Å; E1237-S1240 VanDerWaalsContact O-OG 3.12Å; L1238-S1240 VanDerWaalsContact C-N 3.33Å; L1238-S1240 PolarHBondContact O-N 2.86Å; S1240-Q1242 VanDerWaalsContact C-N 3.35Å; S1240-Q1242 PolarHBondContact O-N 3.09Å; S1240-L1243 PolarHBondContact O-N 3.03Å; S1240-N1244 WeakPolarHBondContact O-CB 3.4Å; S1240-N1244 PolarHBondContact O-N 3.11Å; S1240-N1244 VanDerWaalsContact O-N 3.16Å; S1240-N1244 PolarHBondContact O-ND2 3.12Å; S1240-R1660 VanDerWaalsContact N-CG 3.28Å; S1240-F1661 VanDerWaalsContact O-CD1 3.23Å; S1240-F1661 WeakPolarHBondContact O-CD1 3.3Å; S1240-F1661 VanDerWaalsContact O-CG 3.3Å; S1240-F1661 WeakPolarHBondContact O-CG 2.99Å; S1240-F1661 VanDerWaalsContact OG-CE2 3.31Å; S1240-F1661 WeakPolarHBondContact OG-CE2 3.45Å; S1240-F1661 VanDerWaalsContact OG-CZ 3.23Å; S1240-F1661 WeakPolarHBondContact OG-CZ 3.32Å; S1240-L1804 VanDerWaalsContact CB-CD1 3.43Å |
| 1241 | K | 45.6 | Very low | 45.2 | Very low | 74 Ų | 74 | 66.6 Ų | 66.6 | 32% | 0.322 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.5 | -18.1 | 172.4 | -82.8 | 163.1 | -177.5 | -172.2 | 0 | 114.3 | E841 E1237 L1238 V1239 N1244 K1245 D1271 R1660 L1683 E1684 L1685 | E841-K1241 HydrophobicContact CG-CB 4.27Å; E1237-K1241 VanDerWaalsContact O-CB 3.24Å; E1237-K1241 WeakPolarHBondContact O-CB 3.4Å; E1237-K1241 VanDerWaalsContact O-CD 3.3Å; E1237-K1241 WeakPolarHBondContact O-CD 3.33Å; E1237-K1241 WeakPolarHBondContact O-CG 3.21Å; E1237-K1241 PolarHBondContact O-N 3.25Å; E1237-K1241 WeakPolarHBondContact OE1-CE 3.43Å; E1237-K1241 IonicContact OE1-NZ 3.15Å; E1237-K1241 PolarHBondContact OE1-NZ 3.36Å; E1237-K1241 IonicContact OE2-NZ 2.91Å; E1237-K1241 PolarHBondContact OE2-NZ 3.21Å; L1238-K1241 CarbonylContact O-C 3.56Å; L1238-K1241 PolarHBondContact O-N 2.86Å; L1238-K1241 VanDerWaalsContact O-N 3.13Å; V1239-K1241 VanDerWaalsContact C-N 3.29Å; V1239-K1241 CarbonylContact O-C 2.78Å; V1239-K1241 WeakPolarHBondContact O-CA 3.23Å; V1239-K1241 PolarHBondContact O-N 3.03Å; K1241-N1244 CarbonylContact O-C 3.58Å; K1241-N1244 VanDerWaalsContact O-CA 3.27Å; K1241-N1244 WeakPolarHBondContact O-CA 3.38Å; K1241-N1244 WeakPolarHBondContact O-CB 3.41Å; K1241-N1244 PolarHBondContact O-N 2.87Å; K1241-N1244 VanDerWaalsContact O-O 3.05Å; K1241-K1245 WeakPolarHBondContact O-CG 3.45Å; K1241-K1245 PolarHBondContact O-N 3.09Å; K1241-D1271 WeakPolarHBondContact CD-OD2 3.36Å; K1241-D1271 WeakPolarHBondContact CE-OD2 3.44Å; K1241-D1271 IonicContact NZ-OD1 2.73Å; K1241-D1271 PolarHBondContact NZ-OD1 2.83Å; K1241-D1271 IonicContact NZ-OD2 3.95Å; K1241-D1271 PolarHBondContact NZ-OD2 3.28Å; K1241-R1660 VanDerWaalsContact CB-C 3.43Å; K1241-R1660 HydrophobicContact CB-CB 4.42Å; K1241-R1660 VanDerWaalsContact CB-O 3.24Å; K1241-R1660 WeakPolarHBondContact CB-O 2.97Å; K1241-R1660 WeakPolarHBondContact CD-O 3.01Å; K1241-R1660 WeakPolarHBondContact CG-O 3.2Å; K1241-L1683 HydrophobicContact CD-CB 4.29Å; K1241-L1683 HydrophobicContact CD-CD1 3.42Å; K1241-L1683 VanDerWaalsContact CD-CD1 3.42Å; K1241-L1683 HydrophobicContact CD-CD2 4.36Å; K1241-L1683 HydrophobicContact CD-CG 3.41Å; K1241-L1683 VanDerWaalsContact CD-CG 3.41Å; K1241-L1683 VanDerWaalsContact CE-CD1 3.47Å; K1241-L1683 VanDerWaalsContact NZ-CG 3.29Å; K1241-E1684 HydrophobicContact CB-CB 3.98Å; K1241-E1684 PolarHBondContact NZ-O 2.87Å; K1241-E1684 WeakPolarHBondContact O-CB 3.21Å; K1241-L1685 HydrophobicContact CB-CB 4.44Å; K1241-L1685 WeakPolarHBondContact CD-O 3.04Å; K1241-L1685 WeakPolarHBondContact CE-O 3.4Å; K1241-L1685 HydrophobicContact CG-CB 4.02Å; K1241-L1685 WeakPolarHBondContact CG-O 3.46Å; K1241-L1685 PolarHBondContact NZ-O 3.38Å; K1241-L1685 WeakPolarHBondContact O-CA 3.44Å; K1241-L1685 WeakPolarHBondContact O-CB 3.3Å; K1241-L1685 PolarHBondContact O-N 2.84Å |
| 1242 | Q | 41.9 | Very low | 43.7 | Very low | 57.4 Ų | 57.4 | 69.8 Ų | 69.8 | 27% | 0.268 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -87.7 | -30.2 | 174.5 | -114.5 | -145.4 | -0.3 | 0 | 0 | 112.6 | K837 E841 D843 N871 L1238 V1239 S1240 N1244 K1245 S1246 E1684 L1947 | K837-Q1242 WeakPolarHBondContact CD-O 3.35Å; E841-Q1242 HydrophobicContact CB-CB 3.82Å; E841-Q1242 VanDerWaalsContact CD-N 3.35Å; E841-Q1242 HydrophobicContact CG-CB 4.21Å; E841-Q1242 VanDerWaalsContact CG-N 3.31Å; E841-Q1242 WeakPolarHBondContact OE2-CA 3.34Å; E841-Q1242 WeakPolarHBondContact OE2-CB 3.46Å; E841-Q1242 PolarHBondContact OE2-N 2.92Å; D843-Q1242 HydrophobicContact CB-CG 4.23Å; N871-Q1242 VanDerWaalsContact ND2-CD 3.28Å; N871-Q1242 PolarHBondContact ND2-NE2 3.34Å; N871-Q1242 PolarHBondContact ND2-OE1 2.94Å; N871-Q1242 PolarHBondContact OD1-NE2 2.94Å; L1238-Q1242 WeakPolarHBondContact O-CB 3.24Å; L1238-Q1242 PolarHBondContact O-N 3.03Å; L1238-Q1242 VanDerWaalsContact O-N 3.07Å; V1239-Q1242 CarbonylContact O-C 3.59Å; V1239-Q1242 WeakPolarHBondContact O-CB 3.12Å; V1239-Q1242 PolarHBondContact O-N 3.13Å; V1239-Q1242 VanDerWaalsContact O-N 3.1Å; S1240-Q1242 VanDerWaalsContact C-N 3.35Å; S1240-Q1242 PolarHBondContact O-N 3.09Å; Q1242-N1244 VanDerWaalsContact C-N 3.3Å; Q1242-N1244 PolarHBondContact O-N 3.02Å; Q1242-K1245 WeakPolarHBondContact O-CB 3.33Å; Q1242-K1245 PolarHBondContact O-N 2.96Å; Q1242-K1245 VanDerWaalsContact OE1-NZ 3.16Å; Q1242-S1246 PolarHBondContact O-N 2.94Å; Q1242-E1684 VanDerWaalsContact CG-OE2 3.27Å; Q1242-E1684 WeakPolarHBondContact CG-OE2 3.48Å; Q1242-E1684 PolarHBondContact NE2-OE2 3.2Å; Q1242-L1947 HydrophobicContact CG-CB 3.82Å; Q1242-L1947 HydrophobicContact CG-CD1 3.8Å; Q1242-L1947 HydrophobicContact CG-CD2 3.75Å; Q1242-L1947 HydrophobicContact CG-CG 4Å |
| 1243 | L | 40.4 | Very low | 42.3 | Very low | 55.8 Ų | 55.8 | 72.2 Ų | 72.2 | 29% | 0.292 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -71.9 | -26.4 | 178 | -80.3 | 174.7 | 0 | 0 | 0 | 112.6 | F813 K837 F838 I839 A840 E841 K842 V1239 S1240 K1245 S1246 N1247 F1661 Y1663 V1780 | F813-L1243 HydrophobicContact CB-CD1 4.34Å; F813-L1243 HydrophobicContact CD2-CD1 3.74Å; F813-L1243 HydrophobicContact CE2-CD1 4.42Å; F813-L1243 HydrophobicContact CG-CD1 4.25Å; K837-L1243 CarbonylContact C-O 3.6Å; K837-L1243 HydrophobicContact CB-CD2 4.25Å; K837-L1243 WeakPolarHBondContact CB-O 3.29Å; F838-L1243 CarbonylContact C-O 3.59Å; F838-L1243 WeakPolarHBondContact CA-O 3.26Å; F838-L1243 PolarHBondContact N-O 3.36Å; I839-L1243 PolarHBondContact N-O 3.02Å; I839-L1243 VanDerWaalsContact N-O 3.1Å; I839-L1243 WeakPolarHBondContact O-CD1 3.41Å; A840-L1243 VanDerWaalsContact C-CB 3.44Å; A840-L1243 HydrophobicContact CB-CD1 3.87Å; A840-L1243 WeakPolarHBondContact O-CD1 3.21Å; E841-L1243 VanDerWaalsContact CA-N 3.29Å; K842-L1243 HydrophobicContact CB-CG 4.21Å; K842-L1243 VanDerWaalsContact N-N 3.2Å; K842-L1243 WeakPolarHBondContact O-CA 3.18Å; K842-L1243 VanDerWaalsContact O-CB 3.3Å; K842-L1243 WeakPolarHBondContact O-CB 3.43Å; K842-L1243 WeakPolarHBondContact O-CD2 3.05Å; K842-L1243 WeakPolarHBondContact O-CG 3.43Å; K842-L1243 PolarHBondContact O-N 3.15Å; V1239-L1243 HydrophobicContact CG1-CD1 4.03Å; V1239-L1243 HydrophobicContact CG1-CG 4.37Å; V1239-L1243 WeakPolarHBondContact O-CB 3.32Å; V1239-L1243 WeakPolarHBondContact O-CG 3.19Å; V1239-L1243 PolarHBondContact O-N 3.04Å; V1239-L1243 VanDerWaalsContact O-N 3.1Å; S1240-L1243 PolarHBondContact O-N 3.03Å; L1243-K1245 VanDerWaalsContact C-N 3.3Å; L1243-K1245 PolarHBondContact O-N 3.25Å; L1243-S1246 WeakPolarHBondContact O-CB 3.03Å; L1243-S1246 PolarHBondContact O-N 3.27Å; L1243-S1246 VanDerWaalsContact O-N 3.13Å; L1243-S1246 PolarHBondContact O-OG 3.3Å; L1243-N1247 PolarHBondContact O-N 2.67Å; L1243-F1661 HydrophobicContact CD1-CD1 3.45Å; L1243-F1661 VanDerWaalsContact CD1-CD1 3.45Å; L1243-F1661 HydrophobicContact CD1-CE1 3.14Å; L1243-F1661 HydrophobicContact CD1-CZ 4.22Å; L1243-F1661 HydrophobicContact CG-CD1 4.43Å; L1243-F1661 HydrophobicContact CG-CE1 4.38Å; L1243-Y1663 HydrophobicContact CB-CE1 3.99Å; L1243-Y1663 WeakPolarHBondContact CB-OH 3.44Å; L1243-Y1663 WeakPolarHBondContact CD1-OH 3.28Å; L1243-V1780 HydrophobicContact CD1-CG1 4.13Å |
| 1244 | N | 41 | Very low | 41 | Very low | 67.6 Ų | 67.6 | 73.9 Ų | 73.9 | 36% | 0.361 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -90.9 | 20.6 | -177.9 | -110.1 | -22.3 | 0 | 0 | 0 | 115.8 | F838 I839 S1240 K1241 Q1242 S1246 N1247 K1248 Y1663 L1685 D1687 | F838-N1244 WeakPolarHBondContact CD2-OD1 2.76Å; I839-N1244 PolarHBondContact N-OD1 2.77Å; S1240-N1244 WeakPolarHBondContact O-CB 3.4Å; S1240-N1244 PolarHBondContact O-N 3.11Å; S1240-N1244 VanDerWaalsContact O-N 3.16Å; S1240-N1244 PolarHBondContact O-ND2 3.12Å; K1241-N1244 CarbonylContact O-C 3.58Å; K1241-N1244 VanDerWaalsContact O-CA 3.27Å; K1241-N1244 WeakPolarHBondContact O-CA 3.38Å; K1241-N1244 WeakPolarHBondContact O-CB 3.41Å; K1241-N1244 PolarHBondContact O-N 2.87Å; K1241-N1244 VanDerWaalsContact O-O 3.05Å; Q1242-N1244 VanDerWaalsContact C-N 3.3Å; Q1242-N1244 PolarHBondContact O-N 3.02Å; N1244-S1246 PolarHBondContact O-N 3.11Å; N1244-N1247 CarbonylContact O-C 3.54Å; N1244-N1247 PolarHBondContact O-N 2.02Å; N1244-K1248 HydrophobicContact CB-CD 4.44Å; N1244-K1248 WeakPolarHBondContact O-CB 3.26Å; N1244-K1248 WeakPolarHBondContact O-CD 3.32Å; N1244-K1248 WeakPolarHBondContact O-CE 3.25Å; N1244-K1248 WeakPolarHBondContact O-CG 3.29Å; N1244-K1248 PolarHBondContact O-N 3.46Å; N1244-K1248 WeakPolarHBondContact OD1-CE 3.47Å; N1244-Y1663 HydrophobicContact CB-CD1 3.91Å; N1244-Y1663 HydrophobicContact CB-CE1 4.03Å; N1244-Y1663 WeakPolarHBondContact ND2-CD1 3.06Å; N1244-L1685 HydrophobicContact CB-CD1 4.25Å; N1244-L1685 HydrophobicContact CB-CD2 4.09Å; N1244-D1687 HydrophobicContact CB-CB 3.79Å; N1244-D1687 VanDerWaalsContact ND2-CB 3.28Å; N1244-D1687 WeakPolarHBondContact ND2-CB 3.47Å; N1244-D1687 VanDerWaalsContact ND2-CG 3.27Å; N1244-D1687 PolarHBondContact ND2-OD2 3.28Å; N1244-D1687 WeakPolarHBondContact O-CB 3.08Å; N1244-D1687 VanDerWaalsContact O-CG 3.26Å |
| 1245 | K | 38.9 | Very low | 39.6 | Very low | 89.4 Ų | 89.4 | 75.7 Ų | 75.7 | 39% | 0.389 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -102.8 | -33.2 | 157.5 | -71.9 | -179.6 | 166.9 | 175.3 | 0 | 111.3 | D836 K837 E865 K1241 Q1242 L1243 D1687 T1689 Y1711 G1713 L1947 S1948 | D836-K1245 HydrophobicContact CB-CB 3.54Å; K837-K1245 CarbonylContact O-C 3.13Å; K837-K1245 VanDerWaalsContact O-C 3.31Å; K837-K1245 WeakPolarHBondContact O-CA 3.22Å; K837-K1245 PolarHBondContact O-N 2.74Å; E865-K1245 VanDerWaalsContact OE2-CD 3.29Å; E865-K1245 WeakPolarHBondContact OE2-CD 3.2Å; E865-K1245 VanDerWaalsContact OE2-CE 3.3Å; E865-K1245 WeakPolarHBondContact OE2-CE 3.43Å; E865-K1245 IonicContact OE2-NZ 2.73Å; E865-K1245 PolarHBondContact OE2-NZ 2.6Å; K1241-K1245 WeakPolarHBondContact O-CG 3.45Å; K1241-K1245 PolarHBondContact O-N 3.09Å; Q1242-K1245 WeakPolarHBondContact O-CB 3.33Å; Q1242-K1245 PolarHBondContact O-N 2.96Å; Q1242-K1245 VanDerWaalsContact OE1-NZ 3.16Å; L1243-K1245 VanDerWaalsContact C-N 3.3Å; L1243-K1245 PolarHBondContact O-N 3.25Å; K1245-D1687 IonicContact NZ-OD1 3.11Å; K1245-D1687 PolarHBondContact NZ-OD1 3.47Å; K1245-T1689 HydrophobicContact CD-CG2 4.44Å; K1245-T1689 WeakPolarHBondContact CE-OG1 3.13Å; K1245-T1689 VanDerWaalsContact CG-OG1 3.24Å; K1245-T1689 WeakPolarHBondContact CG-OG1 3.39Å; K1245-T1689 VanDerWaalsContact NZ-CA 3.27Å; K1245-T1689 PolarHBondContact NZ-OG1 3.1Å; K1245-Y1711 HydrophobicContact CB-CD1 3.42Å; K1245-Y1711 VanDerWaalsContact CB-CD1 3.42Å; K1245-Y1711 HydrophobicContact CB-CE1 3.59Å; K1245-Y1711 HydrophobicContact CB-CG 4.27Å; K1245-Y1711 HydrophobicContact CD-CD1 3.84Å; K1245-Y1711 HydrophobicContact CD-CG 4.46Å; K1245-Y1711 HydrophobicContact CG-CD1 3.64Å; K1245-Y1711 HydrophobicContact CG-CE1 4.32Å; K1245-Y1711 HydrophobicContact CG-CG 4.13Å; K1245-Y1711 VanDerWaalsContact NZ-C 3.25Å; K1245-Y1711 PolarHBondContact NZ-O 2.94Å; K1245-Y1711 WeakPolarHBondContact O-CE1 3.4Å; K1245-G1713 VanDerWaalsContact CE-O 3.3Å; K1245-G1713 WeakPolarHBondContact CE-O 3.18Å; K1245-G1713 PolarHBondContact NZ-O 2.68Å; K1245-L1947 PolarHBondContact NZ-O 2.91Å; K1245-S1948 PolarHBondContact NZ-OG 3.24Å |
| 1246 | S | 35.9 | Very low | 38.2 | Very low | 53.2 Ų | 53.2 | 77.4 Ų | 77.4 | 37% | 0.372 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -115.5 | 8.3 | 161.3 | 159.6 | 0 | 0 | 0 | 0 | 114.3 | D836 K837 Q1242 L1243 N1244 K1248 G1249 | D836-S1246 CarbonylContact C-O 3.47Å; D836-S1246 WeakPolarHBondContact CB-O 3.49Å; D836-S1246 VanDerWaalsContact CG-O 3.3Å; D836-S1246 WeakPolarHBondContact OD2-CA 3.24Å; D836-S1246 WeakPolarHBondContact OD2-CB 3.5Å; D836-S1246 PolarHBondContact OD2-N 3.1Å; D836-S1246 PolarHBondContact OD2-OG 2.84Å; K837-S1246 CarbonylContact C-O 3.09Å; K837-S1246 PolarHBondContact N-O 2.7Å; K837-S1246 VanDerWaalsContact N-O 3.11Å; K837-S1246 CarbonylContact O-C 3.5Å; K837-S1246 WeakPolarHBondContact O-CA 3.35Å; K837-S1246 PolarHBondContact O-N 3.4Å; Q1242-S1246 PolarHBondContact O-N 2.94Å; L1243-S1246 WeakPolarHBondContact O-CB 3.03Å; L1243-S1246 PolarHBondContact O-N 3.27Å; L1243-S1246 VanDerWaalsContact O-N 3.13Å; L1243-S1246 PolarHBondContact O-OG 3.3Å; N1244-S1246 PolarHBondContact O-N 3.11Å; S1246-K1248 VanDerWaalsContact C-N 3.26Å; S1246-K1248 PolarHBondContact O-N 2.94Å; S1246-K1248 VanDerWaalsContact O-N 3.11Å; S1246-G1249 PolarHBondContact O-N 3.37Å |
| 1247 | N | 35 | Very low | 36.8 | Very low | 80 Ų | 80 | 87.4 Ų | 87.4 | 43% | 0.428 | 49% | 0.485 | S | S | . | . | trans | -122.5 | 52 | 176 | -125.4 | -5.4 | 0 | 0 | 0 | 113.7 | E810 T834 F838 L1243 N1244 G1249 | E810-N1247 PolarHBondContact OE1-ND2 3.27Å; T834-N1247 WeakPolarHBondContact OG1-CA 3.46Å; F838-N1247 HydrophobicContact CB-CB 3.98Å; F838-N1247 HydrophobicContact CD1-CB 3.76Å; F838-N1247 VanDerWaalsContact CD1-N 3.35Å; F838-N1247 HydrophobicContact CG-CB 4.18Å; L1243-N1247 PolarHBondContact O-N 2.67Å; N1244-N1247 CarbonylContact O-C 3.54Å; N1244-N1247 PolarHBondContact O-N 2.02Å; N1247-G1249 PolarHBondContact O-N 2.87Å | ||
| 1248 | K | 33.7 | Very low | 35.6 | Very low | 133.2 Ų | 133.2 | 91.6 Ų | 91.6 | 58% | 0.579 | 51% | 0.507 | S | S | * | . | trans | -134.2 | 72.5 | 175.1 | -78.5 | -173.9 | 179.2 | -179.3 | 0 | 114.6 | A833 T834 N1244 S1246 D1266 S1268 H1269 | A833-K1248 WeakPolarHBondContact CB-O 3.41Å; T834-K1248 HydrophobicContact CG2-CB 3.88Å; T834-K1248 PolarHBondContact OG1-N 2.77Å; N1244-K1248 HydrophobicContact CB-CD 4.44Å; N1244-K1248 WeakPolarHBondContact O-CB 3.26Å; N1244-K1248 WeakPolarHBondContact O-CD 3.32Å; N1244-K1248 WeakPolarHBondContact O-CE 3.25Å; N1244-K1248 WeakPolarHBondContact O-CG 3.29Å; N1244-K1248 PolarHBondContact O-N 3.46Å; N1244-K1248 WeakPolarHBondContact OD1-CE 3.47Å; S1246-K1248 VanDerWaalsContact C-N 3.26Å; S1246-K1248 PolarHBondContact O-N 2.94Å; S1246-K1248 VanDerWaalsContact O-N 3.11Å; K1248-D1266 IonicContact NZ-OD2 3.45Å; K1248-D1266 PolarHBondContact NZ-OD2 3.39Å; K1248-S1268 PolarHBondContact NZ-OG 2.89Å; K1248-H1269 WeakPolarHBondContact CD-NE2 3.27Å; K1248-H1269 PolarHBondContact NZ-CD2 3.47Å; K1248-H1269 PolarHBondContact NZ-CE1 2.83Å; K1248-H1269 PolarHBondContact NZ-NE2 3.38Å | ||
| 1249 | G | 31.6 | Very low | 34.7 | Very low | 44.8 Ų | 44.8 | 94.9 Ų | 94.9 | 46% | 0.462 | 53% | 0.532 | S | S | . | . | trans | -68.5 | 149.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | S1246 N1247 L1270 | S1246-G1249 PolarHBondContact O-N 3.37Å; N1247-G1249 PolarHBondContact O-N 2.87Å; G1249-L1270 CarbonylContact C-O 3.45Å; G1249-L1270 WeakPolarHBondContact CA-O 3.5Å | ||
| 1250 | R | 31.7 | Very low | 33.5 | Very low | 166.8 Ų | 166.8 | 98.4 Ų | 98.4 | 63% | 0.629 | 56% | 0.555 | S | S | * | * | trans | -125.1 | 144 | -174.7 | -105.8 | 171.2 | -169.9 | 174.1 | -3.9 | 113 | L1270 D1271 M1737 | R1250-L1270 WeakPolarHBondContact CA-O 3.28Å; R1250-L1270 VanDerWaalsContact CB-C 3.45Å; R1250-L1270 WeakPolarHBondContact CB-O 3.4Å; R1250-L1270 PolarHBondContact N-O 3.11Å; R1250-D1271 HydrophobicContact CB-CB 4.41Å; R1250-D1271 WeakPolarHBondContact CB-O 3.28Å; R1250-D1271 WeakPolarHBondContact CD-O 3.4Å; R1250-D1271 WeakPolarHBondContact CG-O 3.43Å; R1250-D1271 PolarHBondContact NE-O 3.03Å; R1250-D1271 PolarHBondContact NH1-O 2.92Å; R1250-M1737 PolarHBondContact NH1-SD 2.98Å | ||
| 1251 | R | 30.8 | Very low | 32.7 | Very low | 154 Ų | 154 | 104.7 Ų | 104.7 | 58% | 0.581 | 58% | 0.581 | S | S | * | * | trans | -149 | 137.3 | 167 | -87.4 | -176.5 | 167.9 | -163 | -5 | 112.3 | E860 D898 D1266 V1267 S1268 H1269 L1270 | E860-R1251 PolarHBondContact OE1-N 3.02Å; E860-R1251 PolarHBondContact OE2-N 3.14Å; D898-R1251 IonicContact OD2-CZ 3.07Å; D898-R1251 IonicContact OD2-NH1 3.25Å; D898-R1251 PolarHBondContact OD2-NH1 3.45Å; R1251-D1266 PolarHBondContact NH1-O 3.45Å; R1251-D1266 PolarHBondContact NH2-O 3.4Å; R1251-V1267 CarbonylContact C-O 3.41Å; R1251-V1267 WeakPolarHBondContact CA-O 3.38Å; R1251-V1267 VanDerWaalsContact CB-C 3.42Å; R1251-V1267 HydrophobicContact CB-CG1 4.27Å; R1251-V1267 WeakPolarHBondContact CB-O 3.44Å; R1251-V1267 VanDerWaalsContact CG-C 3.44Å; R1251-V1267 HydrophobicContact CG-CB 4.33Å; R1251-V1267 HydrophobicContact CG-CG1 3.86Å; R1251-V1267 VanDerWaalsContact CZ-CA 3.48Å; R1251-V1267 VanDerWaalsContact NH2-N 3.16Å; R1251-S1268 VanDerWaalsContact CB-C 3.43Å; R1251-S1268 WeakPolarHBondContact CD-O 3.32Å; R1251-S1268 PolarHBondContact NH1-O 2.88Å; R1251-H1269 VanDerWaalsContact O-CA 3.25Å; R1251-H1269 WeakPolarHBondContact O-CA 3.22Å; R1251-H1269 PolarHBondContact O-N 2.69Å; R1251-L1270 HydrophobicContact CB-CB 4.45Å; R1251-L1270 HydrophobicContact CG-CB 4.4Å | ||
| 1252 | P | 30 | Very low | 32 | Very low | 103.6 Ų | 103.6 | 108.1 Ų | 108.1 | 67% | 0.673 | 60% | 0.598 | S | S | * | * | trans | -93.3 | 158.1 | 177.4 | 17.4 | -7.4 | 0 | 0 | 0 | 113.9 | V1267 S1268 | P1252-V1267 WeakPolarHBondContact CD-O 3.32Å; P1252-S1268 WeakPolarHBondContact O-CA 3.42Å; P1252-S1268 WeakPolarHBondContact O-CB 3.48Å; P1252-S1268 PolarHBondContact O-OG 2.91Å | ||
| 1253 | S | 29.7 | Very low | 31.4 | Very low | 105.4 Ų | 105.4 | 108.4 Ų | 108.4 | 74% | 0.737 | 61% | 0.61 | S | S | * | * | trans | -124.6 | 140 | 170.7 | 52.5 | 0 | 0 | 0 | 0 | 113.7 | H1269 | S1253-H1269 WeakPolarHBondContact CB-NE2 3.24Å; S1253-H1269 PolarHBondContact OG-CE1 3.36Å | ||
| 1254 | S | 29.4 | Very low | 31.1 | Very low | 105.8 Ų | 105.8 | 109.3 Ų | 109.3 | 74% | 0.74 | 62% | 0.619 | S | S | * | * | trans | -70.4 | 147.8 | 171.8 | 48.2 | 0 | 0 | 0 | 0 | 116.1 | F900 | F900-S1254 WeakPolarHBondContact CD2-OG 3.14Å; F900-S1254 WeakPolarHBondContact CE2-OG 3.3Å | ||
| 1255 | G | 26.7 | Very low | 31 | Very low | 79 Ų | 79 | 110.2 Ų | 110.2 | 81% | 0.814 | 62% | 0.618 | S | S | * | * | trans | 165.2 | 71.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1256 | G | 28 | Very low | 31.1 | Very low | 75 Ų | 75 | 108.5 Ų | 108.5 | 77% | 0.773 | 61% | 0.614 | S | S | * | * | trans | 119.3 | 119.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1257 | R | 25.6 | Very low | 31.4 | Very low | 221.6 Ų | 221.6 | 107 Ų | 107 | 84% | 0.836 | 60% | 0.602 | S | S | * | * | trans | -101.1 | 127.8 | 165.3 | -81.7 | -177.8 | 168.4 | -171.4 | -5.9 | 110.3 | ||||
| 1258 | M | 26.7 | Very low | 31.5 | Very low | 162.2 Ų | 162.2 | 104.7 Ų | 104.7 | 80% | 0.799 | 59% | 0.592 | S | S | * | * | trans | -128.3 | 148 | 159 | -134.8 | 156 | 155.9 | 0 | 0 | 108.4 | Y1265 | M1258-Y1265 HydrophobicContact CE-CE1 3.92Š| ||
| 1259 | S | 27.1 | Very low | 31.7 | Very low | 92 Ų | 92 | 104.4 Ų | 104.4 | 64% | 0.643 | 59% | 0.593 | S | S | * | * | trans | -90.8 | 148.7 | -170 | 3.9 | 0 | 0 | 0 | 0 | 112.9 | E1261 | S1259-E1261 VanDerWaalsContact C-N 3.26Å; S1259-E1261 PolarHBondContact O-N 3.02Å | ||
| 1260 | P | 27.9 | Very low | 31.9 | Very low | 111.6 Ų | 111.6 | 106 Ų | 106 | 73% | 0.725 | 59% | 0.59 | S | S | * | * | trans | -89.9 | 92.5 | 173.1 | 25.3 | -22.5 | 0 | 0 | 0 | 112.4 | L1276 | P1260-L1276 HydrophobicContact CB-CD1 4.02Å; P1260-L1276 HydrophobicContact CG-CB 4.33Å; P1260-L1276 HydrophobicContact CG-CD1 4.32Å | ||
| 1261 | E | 29.6 | Very low | 32 | Very low | 166.2 Ų | 166.2 | 101.4 Ų | 101.4 | 78% | 0.777 | 58% | 0.578 | S | S | * | * | trans | -116.2 | 103.1 | 174 | -85.3 | 161.6 | 144 | 0 | 0 | 112.6 | S1259 A1263 | S1259-E1261 VanDerWaalsContact C-N 3.26Å; S1259-E1261 PolarHBondContact O-N 3.02Å; E1261-A1263 PolarHBondContact O-N 2.92Å | ||
| 1262 | E | 30.1 | Very low | 32.2 | Very low | 146.2 Ų | 146.2 | 102.3 Ų | 102.3 | 68% | 0.683 | 58% | 0.582 | S | S | * | * | S | Bend | trans | 48.5 | 56.9 | 166.7 | -71.1 | -172.8 | -173 | 0 | 0 | 117.6 | R928 P1264 | R928-E1262 PolarHBondContact NH1-O 3.24Å; R928-E1262 IonicContact NH2-OE2 2.57Å; R928-E1262 PolarHBondContact NH2-OE2 2.04Å; E1262-P1264 WeakPolarHBondContact O-CD 3.38Å |
| 1263 | A | 29.5 | Very low | 32.3 | Very low | 63.4 Ų | 63.4 | 103.2 Ų | 103.2 | 52% | 0.524 | 58% | 0.575 | S | S | . | * | trans | -132.3 | 116.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1261 Y1265 | E1261-A1263 PolarHBondContact O-N 2.92Å; A1263-Y1265 VanDerWaalsContact C-N 3.27Å; A1263-Y1265 HydrophobicContact CB-CD1 4.46Å; A1263-Y1265 HydrophobicContact CB-CD2 4.27Å; A1263-Y1265 HydrophobicContact CB-CE1 4.36Å; A1263-Y1265 HydrophobicContact CB-CE2 4.16Å; A1263-Y1265 HydrophobicContact CB-CG 4.37Å; A1263-Y1265 PolarHBondContact O-N 3.24Å; A1263-Y1265 VanDerWaalsContact O-N 3.11Å | ||
| 1264 | P | 33.7 | Very low | 32.2 | Very low | 74.2 Ų | 74.2 | 100.5 Ų | 100.5 | 48% | 0.482 | 56% | 0.564 | S | S | . | * | trans | -80.9 | 78.6 | 171.3 | 28.1 | -31.6 | 0 | 0 | 0 | 113.5 | E956 E1262 D1266 | E956-P1264 HydrophobicContact CG-CG 4.21Å; E956-P1264 VanDerWaalsContact OE1-CD 3.26Å; E956-P1264 WeakPolarHBondContact OE1-CD 3.34Å; E956-P1264 WeakPolarHBondContact OE1-CG 3.28Å; E1262-P1264 WeakPolarHBondContact O-CD 3.38Å; P1264-D1266 PolarHBondContact O-N 3.28Å | ||
| 1265 | Y | 40.1 | Very low | 32.3 | Very low | 86.8 Ų | 86.8 | 100.1 Ų | 100.1 | 34% | 0.34 | 55% | 0.553 | S | S | . | * | trans | -93 | 85.9 | 174.7 | -68.2 | -77.8 | 0 | 0 | 0 | 114.2 | W901 F953 P954 E956 M1258 A1263 V1267 M1278 | W901-Y1265 AromaticContact CH2-CD1 3.76Å; W901-Y1265 HydrophobicContact CH2-CD1 3.76Å; W901-Y1265 HydrophobicContact CH2-CE1 4.39Å; W901-Y1265 HydrophobicContact CH2-CG 4.16Å; W901-Y1265 HydrophobicContact CZ2-CD1 4.19Å; W901-Y1265 HydrophobicContact CZ2-CG 4.19Å; F953-Y1265 HydrophobicContact CB-CD2 4.5Å; F953-Y1265 HydrophobicContact CB-CE2 3.89Å; F953-Y1265 HydrophobicContact CD1-CE1 4.25Å; F953-Y1265 HydrophobicContact CD1-CE2 4.25Å; F953-Y1265 AromaticContact CD1-CZ 3.97Å; F953-Y1265 HydrophobicContact CG-CE2 4.27Å; P954-Y1265 WeakPolarHBondContact O-CE2 3.34Å; P954-Y1265 PolarHBondContact O-OH 3.19Å; E956-Y1265 HydrophobicContact CG-CD2 4.29Å; E956-Y1265 HydrophobicContact CG-CE2 4.24Å; M1258-Y1265 HydrophobicContact CE-CE1 3.92Å; A1263-Y1265 VanDerWaalsContact C-N 3.27Å; A1263-Y1265 HydrophobicContact CB-CD1 4.46Å; A1263-Y1265 HydrophobicContact CB-CD2 4.27Å; A1263-Y1265 HydrophobicContact CB-CE1 4.36Å; A1263-Y1265 HydrophobicContact CB-CE2 4.16Å; A1263-Y1265 HydrophobicContact CB-CG 4.37Å; A1263-Y1265 PolarHBondContact O-N 3.24Å; A1263-Y1265 VanDerWaalsContact O-N 3.11Å; Y1265-V1267 PolarHBondContact O-N 2.92Å; Y1265-M1278 HydrophobicContact CE1-CE 4Å; Y1265-M1278 VanDerWaalsContact OH-CE 3.29Å; Y1265-M1278 WeakPolarHBondContact OH-CE 3.38Å | ||
| 1266 | D | 40.6 | Very low | 32.5 | Very low | 53.6 Ų | 53.6 | 99.7 Ų | 99.7 | 29% | 0.287 | 53% | 0.532 | S | S | . | . | trans | -62.1 | 103.4 | 163.3 | -160.4 | -15.7 | 0 | 0 | 0 | 111.6 | R857 K1248 R1251 P1264 S1268 H1269 L1270 | R857-D1266 IonicContact NE-OD2 2.72Å; K1248-D1266 IonicContact NZ-OD2 3.45Å; K1248-D1266 PolarHBondContact NZ-OD2 3.39Å; R1251-D1266 PolarHBondContact NH1-O 3.45Å; R1251-D1266 PolarHBondContact NH2-O 3.4Å; P1264-D1266 PolarHBondContact O-N 3.28Å; D1266-S1268 VanDerWaalsContact C-N 3.27Å; D1266-S1268 WeakPolarHBondContact CB-OG 3.34Å; D1266-S1268 PolarHBondContact O-N 3.21Å; D1266-S1268 VanDerWaalsContact O-N 3.13Å; D1266-S1268 PolarHBondContact O-OG 3.46Å; D1266-S1268 WeakPolarHBondContact OD1-CA 3.26Å; D1266-S1268 VanDerWaalsContact OD1-CB 3.29Å; D1266-S1268 WeakPolarHBondContact OD1-CB 3.36Å; D1266-S1268 PolarHBondContact OD1-N 3.14Å; D1266-S1268 PolarHBondContact OD1-OG 3.14Å; D1266-S1268 WeakPolarHBondContact OD2-CB 3.23Å; D1266-S1268 PolarHBondContact OD2-OG 3.13Å; D1266-H1269 HydrophobicContact CB-CB 4.32Å; D1266-H1269 CarbonylContact O-C 3.52Å; D1266-H1269 WeakPolarHBondContact O-CA 3.49Å; D1266-H1269 WeakPolarHBondContact O-CB 3.33Å; D1266-H1269 PolarHBondContact O-N 3.12Å; D1266-H1269 VanDerWaalsContact O-N 3.13Å; D1266-H1269 IonicContact OD2-CD2 2.66Å; D1266-L1270 PolarHBondContact O-N 2.77Å; D1266-L1270 VanDerWaalsContact O-N 3.12Å | ||
| 1267 | V | 42.3 | Very low | 32.7 | Very low | 21.8 Ų | 21.8 | 100.4 Ų | 100.4 | 13% | 0.132 | 51% | 0.513 | C | S | . | . | G | 310 helix | trans | -55.4 | -6.5 | 168.4 | -178.1 | 0 | 0 | 0 | 0 | 112.3 | F826 T877 D879 R1251 P1252 Y1265 H1269 L1270 | F826-V1267 HydrophobicContact CE1-CG1 4.17Å; F826-V1267 VanDerWaalsContact CE1-O 3.23Å; F826-V1267 WeakPolarHBondContact CE1-O 3.39Å; F826-V1267 HydrophobicContact CZ-CG1 4.5Å; F826-V1267 VanDerWaalsContact CZ-O 3.29Å; F826-V1267 WeakPolarHBondContact CZ-O 3.24Å; T877-V1267 HydrophobicContact CG2-CG1 3.9Å; T877-V1267 HydrophobicContact CG2-CG2 4.23Å; D879-V1267 HydrophobicContact CB-CB 4.36Å; D879-V1267 HydrophobicContact CB-CG2 3.81Å; R1251-V1267 CarbonylContact C-O 3.41Å; R1251-V1267 WeakPolarHBondContact CA-O 3.38Å; R1251-V1267 VanDerWaalsContact CB-C 3.42Å; R1251-V1267 HydrophobicContact CB-CG1 4.27Å; R1251-V1267 WeakPolarHBondContact CB-O 3.44Å; R1251-V1267 VanDerWaalsContact CG-C 3.44Å; R1251-V1267 HydrophobicContact CG-CB 4.33Å; R1251-V1267 HydrophobicContact CG-CG1 3.86Å; R1251-V1267 VanDerWaalsContact CZ-CA 3.48Å; R1251-V1267 VanDerWaalsContact NH2-N 3.16Å; P1252-V1267 WeakPolarHBondContact CD-O 3.32Å; Y1265-V1267 PolarHBondContact O-N 2.92Å; V1267-H1269 PolarHBondContact O-N 3.12Å; V1267-H1269 VanDerWaalsContact O-N 3.1Å; V1267-L1270 HydrophobicContact CB-CD1 4.45Å; V1267-L1270 HydrophobicContact CG1-CB 4.45Å; V1267-L1270 HydrophobicContact CG1-CD1 4.27Å; V1267-L1270 HydrophobicContact CG2-CD1 4.29Å; V1267-L1270 PolarHBondContact O-N 3.18Å |
| 1268 | S | 37.2 | Very low | 32.8 | Very low | 31.2 Ų | 31.2 | 94.3 Ų | 94.3 | 22% | 0.218 | 50% | 0.496 | C | S | . | . | G | 310 helix | trans | -75.7 | -9.2 | 173.4 | 64.2 | 0 | 0 | 0 | 0 | 114.2 | F826 K1248 R1251 P1252 D1266 | F826-S1268 WeakPolarHBondContact CE2-O 3.25Å; F826-S1268 WeakPolarHBondContact CZ-O 3.42Å; K1248-S1268 PolarHBondContact NZ-OG 2.89Å; R1251-S1268 VanDerWaalsContact CB-C 3.43Å; R1251-S1268 WeakPolarHBondContact CD-O 3.32Å; R1251-S1268 PolarHBondContact NH1-O 2.88Å; P1252-S1268 WeakPolarHBondContact O-CA 3.42Å; P1252-S1268 WeakPolarHBondContact O-CB 3.48Å; P1252-S1268 PolarHBondContact O-OG 2.91Å; D1266-S1268 VanDerWaalsContact C-N 3.27Å; D1266-S1268 WeakPolarHBondContact CB-OG 3.34Å; D1266-S1268 PolarHBondContact O-N 3.21Å; D1266-S1268 VanDerWaalsContact O-N 3.13Å; D1266-S1268 PolarHBondContact O-OG 3.46Å; D1266-S1268 WeakPolarHBondContact OD1-CA 3.26Å; D1266-S1268 VanDerWaalsContact OD1-CB 3.29Å; D1266-S1268 WeakPolarHBondContact OD1-CB 3.36Å; D1266-S1268 PolarHBondContact OD1-N 3.14Å; D1266-S1268 PolarHBondContact OD1-OG 3.14Å; D1266-S1268 WeakPolarHBondContact OD2-CB 3.23Å; D1266-S1268 PolarHBondContact OD2-OG 3.13Å |
| 1269 | H | 38.2 | Very low | 33 | Very low | 127 Ų | 127 | 91.5 Ų | 91.5 | 59% | 0.588 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -85.1 | 15.3 | 176.8 | -67.9 | -65.1 | 0 | 0 | 0 | 115 | K1248 R1251 S1253 D1266 V1267 D1271 L1276 K1277 | K1248-H1269 WeakPolarHBondContact CD-NE2 3.27Å; K1248-H1269 PolarHBondContact NZ-CD2 3.47Å; K1248-H1269 PolarHBondContact NZ-CE1 2.83Å; K1248-H1269 PolarHBondContact NZ-NE2 3.38Å; R1251-H1269 VanDerWaalsContact O-CA 3.25Å; R1251-H1269 WeakPolarHBondContact O-CA 3.22Å; R1251-H1269 PolarHBondContact O-N 2.69Å; S1253-H1269 WeakPolarHBondContact CB-NE2 3.24Å; S1253-H1269 PolarHBondContact OG-CE1 3.36Å; D1266-H1269 HydrophobicContact CB-CB 4.32Å; D1266-H1269 CarbonylContact O-C 3.52Å; D1266-H1269 WeakPolarHBondContact O-CA 3.49Å; D1266-H1269 WeakPolarHBondContact O-CB 3.33Å; D1266-H1269 PolarHBondContact O-N 3.12Å; D1266-H1269 VanDerWaalsContact O-N 3.13Å; D1266-H1269 IonicContact OD2-CD2 2.66Å; V1267-H1269 PolarHBondContact O-N 3.12Å; V1267-H1269 VanDerWaalsContact O-N 3.1Å; H1269-D1271 PolarHBondContact O-N 3.02Å; H1269-L1276 HydrophobicContact CB-CD2 3.82Å; H1269-L1276 CarbonylContact O-C 3.45Å; H1269-L1276 WeakPolarHBondContact O-CA 3.14Å; H1269-K1277 WeakPolarHBondContact O-CB 3.36Å; H1269-K1277 PolarHBondContact O-N 3.4Å |
| 1270 | L | 34.7 | Very low | 33.2 | Very low | 78.4 Ų | 78.4 | 91.1 Ų | 91.1 | 41% | 0.41 | 47% | 0.47 | S | S | . | . | trans | -97.3 | 75 | 169.9 | -79.3 | 170.5 | 0 | 0 | 0 | 113.3 | Q853 G1249 R1250 R1251 D1266 V1267 R1272 N1275 L1276 | Q853-L1270 PolarHBondContact NE2-O 3.46Å; G1249-L1270 CarbonylContact C-O 3.45Å; G1249-L1270 WeakPolarHBondContact CA-O 3.5Å; R1250-L1270 WeakPolarHBondContact CA-O 3.28Å; R1250-L1270 VanDerWaalsContact CB-C 3.45Å; R1250-L1270 WeakPolarHBondContact CB-O 3.4Å; R1250-L1270 PolarHBondContact N-O 3.11Å; R1251-L1270 HydrophobicContact CB-CB 4.45Å; R1251-L1270 HydrophobicContact CG-CB 4.4Å; D1266-L1270 PolarHBondContact O-N 2.77Å; D1266-L1270 VanDerWaalsContact O-N 3.12Å; V1267-L1270 HydrophobicContact CB-CD1 4.45Å; V1267-L1270 HydrophobicContact CG1-CB 4.45Å; V1267-L1270 HydrophobicContact CG1-CD1 4.27Å; V1267-L1270 HydrophobicContact CG2-CD1 4.29Å; V1267-L1270 PolarHBondContact O-N 3.18Å; L1270-R1272 PolarHBondContact O-N 3.22Å; L1270-N1275 CarbonylContact C-O 3.46Å; L1270-N1275 WeakPolarHBondContact CA-O 3.47Å; L1270-L1276 HydrophobicContact CD2-CG 4.43Å | ||
| 1271 | D | 34.7 | Very low | 33.3 | Very low | 69.4 Ų | 69.4 | 90.3 Ų | 90.3 | 37% | 0.371 | 46% | 0.457 | S | S | . | . | trans | -61.5 | 132 | 172.3 | -179 | 8.1 | 0 | 0 | 0 | 113.2 | Q853 K1241 R1250 H1269 K1273 G1274 N1275 F1946 | Q853-D1271 PolarHBondContact NE2-O 3.09Å; K1241-D1271 WeakPolarHBondContact CD-OD2 3.36Å; K1241-D1271 WeakPolarHBondContact CE-OD2 3.44Å; K1241-D1271 IonicContact NZ-OD1 2.73Å; K1241-D1271 PolarHBondContact NZ-OD1 2.83Å; K1241-D1271 IonicContact NZ-OD2 3.95Å; K1241-D1271 PolarHBondContact NZ-OD2 3.28Å; R1250-D1271 HydrophobicContact CB-CB 4.41Å; R1250-D1271 WeakPolarHBondContact CB-O 3.28Å; R1250-D1271 WeakPolarHBondContact CD-O 3.4Å; R1250-D1271 WeakPolarHBondContact CG-O 3.43Å; R1250-D1271 PolarHBondContact NE-O 3.03Å; R1250-D1271 PolarHBondContact NH1-O 2.92Å; H1269-D1271 PolarHBondContact O-N 3.02Å; D1271-K1273 CarbonylContact O-C 3.12Å; D1271-K1273 PolarHBondContact O-N 3.07Å; D1271-K1273 VanDerWaalsContact OD1-C 3.3Å; D1271-K1273 VanDerWaalsContact OD1-CA 3.3Å; D1271-K1273 WeakPolarHBondContact OD1-CA 3.3Å; D1271-K1273 WeakPolarHBondContact OD1-CB 3.11Å; D1271-K1273 PolarHBondContact OD1-N 2.98Å; D1271-G1274 PolarHBondContact O-N 3Å; D1271-G1274 VanDerWaalsContact O-N 3.07Å; D1271-G1274 WeakPolarHBondContact OD1-CA 3.48Å; D1271-G1274 PolarHBondContact OD1-N 2.95Å; D1271-G1274 VanDerWaalsContact OD1-N 3.08Å; D1271-G1274 WeakPolarHBondContact OD2-CA 3.3Å; D1271-G1274 PolarHBondContact OD2-N 2.95Å; D1271-N1275 PolarHBondContact N-O 3.36Å; D1271-N1275 PolarHBondContact OD1-N 2.93Å; D1271-N1275 PolarHBondContact OD1-ND2 3.48Å; D1271-N1275 VanDerWaalsContact OD1-ND2 3.13Å; D1271-N1275 PolarHBondContact OD2-ND2 2.87Å; D1271-F1946 HydrophobicContact CB-CE2 4.45Å; D1271-F1946 HydrophobicContact CB-CZ 4.23Å; D1271-F1946 VanDerWaalsContact OD2-CE2 3.31Å; D1271-F1946 WeakPolarHBondContact OD2-CE2 3.18Å | ||
| 1272 | R | 34.7 | Very low | 33.3 | Very low | 174.8 Ų | 174.8 | 88 Ų | 88 | 66% | 0.66 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 29.7 | -172 | -90 | 178.7 | 177.9 | 178.4 | -4.7 | 114.3 | E823 L1270 G1274 M1278 I1944 | E823-R1272 IonicContact OE1-CZ 2.74Å; E823-R1272 IonicContact OE1-NH1 3.64Å; E823-R1272 PolarHBondContact OE1-NH1 3.47Å; E823-R1272 IonicContact OE1-NH2 2.8Å; E823-R1272 PolarHBondContact OE1-NH2 2.91Å; E823-R1272 IonicContact OE2-CZ 3.67Å; E823-R1272 IonicContact OE2-NE 2.85Å; E823-R1272 PolarHBondContact OE2-NE 3.37Å; E823-R1272 IonicContact OE2-NH1 3.57Å; E823-R1272 PolarHBondContact OE2-NH1 2.86Å; E823-R1272 IonicContact OE2-NH2 3.83Å; E823-R1272 PolarHBondContact OE2-NH2 3.03Å; L1270-R1272 PolarHBondContact O-N 3.22Å; R1272-G1274 PolarHBondContact O-N 3.42Å; R1272-M1278 WeakPolarHBondContact O-CE 3.22Å; R1272-I1944 HydrophobicContact CB-CD1 3.54Å |
| 1273 | K | 31.3 | Very low | 33.3 | Very low | 122.6 Ų | 122.6 | 87.4 Ų | 87.4 | 53% | 0.533 | 44% | 0.437 | S | S | . | . | trans | -112 | 53.7 | 165.2 | -80.7 | -176.1 | 160.6 | -175.5 | 0 | 111 | D1271 N1275 L1276 M1278 E1495 P1943 I1944 P1945 | D1271-K1273 CarbonylContact O-C 3.12Å; D1271-K1273 PolarHBondContact O-N 3.07Å; D1271-K1273 VanDerWaalsContact OD1-C 3.3Å; D1271-K1273 VanDerWaalsContact OD1-CA 3.3Å; D1271-K1273 WeakPolarHBondContact OD1-CA 3.3Å; D1271-K1273 WeakPolarHBondContact OD1-CB 3.11Å; D1271-K1273 PolarHBondContact OD1-N 2.98Å; K1273-N1275 WeakPolarHBondContact CB-ND2 3.19Å; K1273-N1275 CarbonylContact O-C 2.91Å; K1273-N1275 PolarHBondContact O-N 3.2Å; K1273-N1275 VanDerWaalsContact O-N 3.12Å; K1273-L1276 PolarHBondContact O-N 3.02Å; K1273-M1278 HydrophobicContact CB-CB 4.05Å; K1273-M1278 HydrophobicContact CB-CE 4.01Å; K1273-M1278 HydrophobicContact CB-SD 3.79Å; K1273-M1278 HydrophobicContact CD-SD 3.56Å; K1273-M1278 VanDerWaalsContact CD-SD 3.56Å; K1273-M1278 WeakPolarHBondContact CE-SD 3.3Å; K1273-M1278 HydrophobicContact CG-SD 4.27Å; K1273-M1278 PolarHBondContact NZ-SD 3.13Å; K1273-E1495 IonicContact NZ-OE1 3.97Å; K1273-E1495 PolarHBondContact NZ-OE1 3.29Å; K1273-P1943 WeakPolarHBondContact CE-O 3.34Å; K1273-P1943 PolarHBondContact NZ-O 2.89Å; K1273-I1944 HydrophobicContact CB-CG2 3.71Å; K1273-I1944 HydrophobicContact CD-CB 3.85Å; K1273-I1944 HydrophobicContact CD-CG2 3.78Å; K1273-I1944 WeakPolarHBondContact CE-O 3.16Å; K1273-I1944 HydrophobicContact CG-CB 3.99Å; K1273-I1944 HydrophobicContact CG-CG2 3.65Å; K1273-I1944 PolarHBondContact NZ-O 2.84Å; K1273-P1945 HydrophobicContact CB-CG 4.07Å; K1273-P1945 HydrophobicContact CD-CG 3.98Å | ||
| 1274 | G | 29.4 | Very low | 33.4 | Very low | 48.4 Ų | 48.4 | 86.9 Ų | 86.9 | 50% | 0.499 | 44% | 0.438 | S | S | . | . | trans | -80 | 45.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | D1271 R1272 L1276 | D1271-G1274 PolarHBondContact O-N 3Å; D1271-G1274 VanDerWaalsContact O-N 3.07Å; D1271-G1274 WeakPolarHBondContact OD1-CA 3.48Å; D1271-G1274 PolarHBondContact OD1-N 2.95Å; D1271-G1274 VanDerWaalsContact OD1-N 3.08Å; D1271-G1274 WeakPolarHBondContact OD2-CA 3.3Å; D1271-G1274 PolarHBondContact OD2-N 2.95Å; R1272-G1274 PolarHBondContact O-N 3.42Å; G1274-L1276 VanDerWaalsContact C-N 3.29Å; G1274-L1276 PolarHBondContact O-N 2.98Å | ||
| 1275 | N | 30.6 | Very low | 33.4 | Very low | 96.8 Ų | 96.8 | 86.6 Ų | 86.6 | 52% | 0.518 | 44% | 0.437 | S | S | . | . | trans | -95.9 | 79 | 160.4 | -89.8 | -41.8 | 0 | 0 | 0 | 112.7 | L1270 D1271 K1273 K1277 M1278 F1279 | L1270-N1275 CarbonylContact C-O 3.46Å; L1270-N1275 WeakPolarHBondContact CA-O 3.47Å; D1271-N1275 PolarHBondContact N-O 3.36Å; D1271-N1275 PolarHBondContact OD1-N 2.93Å; D1271-N1275 PolarHBondContact OD1-ND2 3.48Å; D1271-N1275 VanDerWaalsContact OD1-ND2 3.13Å; D1271-N1275 PolarHBondContact OD2-ND2 2.87Å; K1273-N1275 WeakPolarHBondContact CB-ND2 3.19Å; K1273-N1275 CarbonylContact O-C 2.91Å; K1273-N1275 PolarHBondContact O-N 3.2Å; K1273-N1275 VanDerWaalsContact O-N 3.12Å; N1275-K1277 CarbonylContact C-O 3.44Å; N1275-K1277 WeakPolarHBondContact CA-O 3.3Å; N1275-K1277 CarbonylContact O-C 3.58Å; N1275-K1277 PolarHBondContact O-N 3.02Å; N1275-K1277 PolarHBondContact OD1-O 2.98Å; N1275-M1278 PolarHBondContact O-N 3.17Å; N1275-F1279 HydrophobicContact CB-CD2 3.86Å; N1275-F1279 HydrophobicContact CB-CE2 4.25Å; N1275-F1279 WeakPolarHBondContact O-CB 3.12Å; N1275-F1279 PolarHBondContact O-N 3.44Å | ||
| 1276 | L | 31.6 | Very low | 32.9 | Very low | 69.6 Ų | 69.6 | 88.2 Ų | 88.2 | 36% | 0.364 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -26 | 18.6 | 149.5 | -77.4 | 165.6 | 0 | 0 | 0 | 115.5 | R706 N730 P1260 H1269 L1270 K1273 G1274 M1278 S1981 D1982 T1985 | R706-L1276 HydrophobicContact CG-CD1 4.43Å; R706-L1276 PolarHBondContact NH2-O 2.87Å; N730-L1276 HydrophobicContact CB-CD1 4.22Å; P1260-L1276 HydrophobicContact CB-CD1 4.02Å; P1260-L1276 HydrophobicContact CG-CB 4.33Å; P1260-L1276 HydrophobicContact CG-CD1 4.32Å; H1269-L1276 HydrophobicContact CB-CD2 3.82Å; H1269-L1276 CarbonylContact O-C 3.45Å; H1269-L1276 WeakPolarHBondContact O-CA 3.14Å; L1270-L1276 HydrophobicContact CD2-CG 4.43Å; K1273-L1276 PolarHBondContact O-N 3.02Å; G1274-L1276 VanDerWaalsContact C-N 3.29Å; G1274-L1276 PolarHBondContact O-N 2.98Å; L1276-M1278 PolarHBondContact O-N 3.12Å; L1276-S1981 WeakPolarHBondContact CD2-O 3.38Å; L1276-D1982 HydrophobicContact CB-CB 4.28Å; L1276-D1982 VanDerWaalsContact CB-OD1 3.3Å; L1276-D1982 WeakPolarHBondContact CB-OD1 3.49Å; L1276-D1982 VanDerWaalsContact O-CG 3.26Å; L1276-D1982 VanDerWaalsContact O-OD2 3.06Å; L1276-T1985 HydrophobicContact CD1-CG2 3.74Å; L1276-T1985 WeakPolarHBondContact CD1-OG1 3.48Å; L1276-T1985 HydrophobicContact CD2-CG2 4.35Å |
| 1277 | K | 31.2 | Very low | 32.6 | Very low | 90.6 Ų | 90.6 | 90.3 Ų | 90.3 | 39% | 0.394 | 46% | 0.457 | S | S | . | . | trans | -87.4 | 83.5 | 170.4 | -97.2 | 178.6 | 179.6 | 170 | 0 | 111.5 | E776 T1210 K1212 H1269 N1275 F1279 N1280 E1281 S1981 D1982 | E776-K1277 IonicContact OE2-NZ 2.87Å; E776-K1277 PolarHBondContact OE2-NZ 3.4Å; T1210-K1277 PolarHBondContact OG1-NZ 3.38Å; K1212-K1277 HydrophobicContact CD-CB 4.41Å; K1212-K1277 HydrophobicContact CD-CD 4.07Å; K1212-K1277 PolarHBondContact NZ-O 3.44Å; H1269-K1277 WeakPolarHBondContact O-CB 3.36Å; H1269-K1277 PolarHBondContact O-N 3.4Å; N1275-K1277 CarbonylContact C-O 3.44Å; N1275-K1277 WeakPolarHBondContact CA-O 3.3Å; N1275-K1277 CarbonylContact O-C 3.58Å; N1275-K1277 PolarHBondContact O-N 3.02Å; N1275-K1277 PolarHBondContact OD1-O 2.98Å; K1277-F1279 PolarHBondContact O-N 2.85Å; K1277-F1279 VanDerWaalsContact O-N 3.12Å; K1277-N1280 PolarHBondContact O-N 2.86Å; K1277-E1281 WeakPolarHBondContact O-CG 3.37Å; K1277-E1281 PolarHBondContact O-N 3.19Å; K1277-S1981 VanDerWaalsContact CA-OG 3.28Å; K1277-S1981 WeakPolarHBondContact CA-OG 3.35Å; K1277-S1981 PolarHBondContact N-OG 2.98Å; K1277-S1981 VanDerWaalsContact N-OG 3.07Å; K1277-D1982 IonicContact NZ-OD1 2.65Å; K1277-D1982 IonicContact NZ-OD2 2.62Å; K1277-D1982 PolarHBondContact NZ-OD2 3.39Å | ||
| 1278 | M | 28.9 | Very low | 32.5 | Very low | 94 Ų | 94 | 93.4 Ų | 93.4 | 46% | 0.463 | 47% | 0.473 | S | S | . | . | trans | -50.6 | 37.4 | 177.5 | -144.4 | 174.6 | 73.8 | 0 | 0 | 115.6 | Y1265 R1272 K1273 N1275 L1276 N1280 E1281 H1282 E1467 K1490 | Y1265-M1278 HydrophobicContact CE1-CE 4Å; Y1265-M1278 VanDerWaalsContact OH-CE 3.29Å; Y1265-M1278 WeakPolarHBondContact OH-CE 3.38Å; R1272-M1278 WeakPolarHBondContact O-CE 3.22Å; K1273-M1278 HydrophobicContact CB-CB 4.05Å; K1273-M1278 HydrophobicContact CB-CE 4.01Å; K1273-M1278 HydrophobicContact CB-SD 3.79Å; K1273-M1278 HydrophobicContact CD-SD 3.56Å; K1273-M1278 VanDerWaalsContact CD-SD 3.56Å; K1273-M1278 WeakPolarHBondContact CE-SD 3.3Å; K1273-M1278 HydrophobicContact CG-SD 4.27Å; K1273-M1278 PolarHBondContact NZ-SD 3.13Å; N1275-M1278 PolarHBondContact O-N 3.17Å; L1276-M1278 PolarHBondContact O-N 3.12Å; M1278-N1280 WeakPolarHBondContact CE-OD1 3.33Å; M1278-N1280 PolarHBondContact O-N 3.24Å; M1278-E1281 PolarHBondContact O-N 2.85Å; M1278-H1282 WeakPolarHBondContact O-CB 3.48Å; M1278-H1282 PolarHBondContact O-N 3.24Å; M1278-E1467 WeakPolarHBondContact CE-OE2 3.48Å; M1278-K1490 HydrophobicContact CE-CD 4.44Å; M1278-K1490 HydrophobicContact SD-CD 3.82Å; M1278-K1490 PolarHBondContact SD-NZ 3Å | ||
| 1279 | F | 30.1 | Very low | 32.6 | Very low | 103.2 Ų | 103.2 | 95.4 Ų | 95.4 | 45% | 0.453 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -74.1 | -3.1 | 177.3 | -104.4 | -96.5 | 0 | 0 | 0 | 114.6 | N1275 K1277 E1281 H1282 R1283 N1438 M1466 | N1275-F1279 HydrophobicContact CB-CD2 3.86Å; N1275-F1279 HydrophobicContact CB-CE2 4.25Å; N1275-F1279 WeakPolarHBondContact O-CB 3.12Å; N1275-F1279 PolarHBondContact O-N 3.44Å; K1277-F1279 PolarHBondContact O-N 2.85Å; K1277-F1279 VanDerWaalsContact O-N 3.12Å; F1279-E1281 HydrophobicContact CD1-CB 4.14Å; F1279-E1281 HydrophobicContact CE1-CB 4.22Å; F1279-E1281 HydrophobicContact CE1-CG 4.44Å; F1279-E1281 PolarHBondContact O-N 3.01Å; F1279-H1282 PolarHBondContact O-N 2.81Å; F1279-R1283 PolarHBondContact O-N 3.4Å; F1279-R1283 VanDerWaalsContact O-N 3.12Å; F1279-N1438 HydrophobicContact CE1-CB 3.99Å; F1279-M1466 HydrophobicContact CE1-CE 4.16Å; F1279-M1466 HydrophobicContact CZ-CE 3.68Å |
| 1280 | N | 30.7 | Very low | 32.8 | Very low | 83.4 Ų | 83.4 | 94.5 Ų | 94.5 | 45% | 0.446 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -106.6 | -30.6 | -167.3 | -84.8 | -9.1 | 0 | 0 | 0 | 111.7 | I680 R706 R1080 K1277 M1278 G1284 | I680-N1280 WeakPolarHBondContact CD1-ND2 3.27Å; R706-N1280 PolarHBondContact NH2-ND2 3.27Å; R1080-N1280 PolarHBondContact NH1-ND2 2.9Å; R1080-N1280 PolarHBondContact NH1-OD1 2.95Å; R1080-N1280 VanDerWaalsContact NH1-OD1 3.07Å; R1080-N1280 PolarHBondContact NH2-ND2 3.46Å; K1277-N1280 PolarHBondContact O-N 2.86Å; M1278-N1280 WeakPolarHBondContact CE-OD1 3.33Å; M1278-N1280 PolarHBondContact O-N 3.24Å; N1280-G1284 PolarHBondContact O-N 3.29Å |
| 1281 | E | 30.9 | Very low | 33.3 | Very low | 95.4 Ų | 95.4 | 94.6 Ų | 94.6 | 45% | 0.446 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -97.9 | 22.4 | -170 | -76.7 | -164.3 | 163.1 | 0 | 0 | 113.8 | R706 K1277 M1278 F1279 S1285 | R706-E1281 IonicContact CZ-OE1 3.45Å; R706-E1281 IonicContact NH1-OE1 2.94Å; R706-E1281 PolarHBondContact NH1-OE1 3.12Å; R706-E1281 IonicContact NH2-OE1 2.71Å; R706-E1281 PolarHBondContact NH2-OE1 2.84Å; K1277-E1281 WeakPolarHBondContact O-CG 3.37Å; K1277-E1281 PolarHBondContact O-N 3.19Å; M1278-E1281 PolarHBondContact O-N 2.85Å; F1279-E1281 HydrophobicContact CD1-CB 4.14Å; F1279-E1281 HydrophobicContact CE1-CB 4.22Å; F1279-E1281 HydrophobicContact CE1-CG 4.44Å; F1279-E1281 PolarHBondContact O-N 3.01Å; E1281-S1285 PolarHBondContact O-N 3.4Å |
| 1282 | H | 29.6 | Very low | 33.9 | Very low | 116.6 Ų | 116.6 | 97.1 Ų | 97.1 | 54% | 0.54 | 50% | 0.496 | S | S | . | . | trans | -115.4 | 6.8 | 164.4 | -88 | 39.5 | 0 | 0 | 0 | 114 | M1278 F1279 G1284 S1285 Q1286 | M1278-H1282 WeakPolarHBondContact O-CB 3.48Å; M1278-H1282 PolarHBondContact O-N 3.24Å; F1279-H1282 PolarHBondContact O-N 2.81Å; H1282-G1284 VanDerWaalsContact C-N 3.31Å; H1282-G1284 PolarHBondContact O-N 3.33Å; H1282-S1285 WeakPolarHBondContact O-CB 3.42Å; H1282-S1285 PolarHBondContact O-N 2.9Å; H1282-S1285 VanDerWaalsContact O-N 3.11Å; H1282-Q1286 WeakPolarHBondContact O-CB 3.44Å; H1282-Q1286 PolarHBondContact O-N 2.84Å | ||
| 1283 | R | 30.4 | Very low | 34.8 | Very low | 135 Ų | 135 | 92.8 Ų | 92.8 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -51.8 | -5.7 | 179.1 | -89.4 | 175.2 | 175.7 | 159.8 | -0.9 | 113 | E727 F1279 S1285 Q1286 M1287 E1290 E1433 | E727-R1283 IonicContact OE1-CZ 3.92Å; E727-R1283 IonicContact OE1-NH1 2.95Å; E727-R1283 PolarHBondContact OE1-NH1 3.28Å; E727-R1283 IonicContact OE1-NH2 2.84Å; E727-R1283 PolarHBondContact OE1-NH2 2.96Å; E727-R1283 IonicContact OE2-CZ 3.22Å; E727-R1283 VanDerWaalsContact OE2-CZ 3.24Å; E727-R1283 IonicContact OE2-NH1 3.44Å; E727-R1283 PolarHBondContact OE2-NH1 2.89Å; E727-R1283 IonicContact OE2-NH2 3.93Å; E727-R1283 PolarHBondContact OE2-NH2 2.77Å; F1279-R1283 PolarHBondContact O-N 3.4Å; F1279-R1283 VanDerWaalsContact O-N 3.12Å; R1283-S1285 PolarHBondContact O-N 3.35Å; R1283-S1285 VanDerWaalsContact O-N 3.13Å; R1283-Q1286 PolarHBondContact O-N 2.95Å; R1283-M1287 HydrophobicContact CB-CG 4.31Å; R1283-M1287 HydrophobicContact CB-SD 4.41Å; R1283-M1287 HydrophobicContact CG-CG 4.26Å; R1283-M1287 WeakPolarHBondContact O-CB 3.31Å; R1283-M1287 VanDerWaalsContact O-CG 3.26Å; R1283-M1287 WeakPolarHBondContact O-CG 3.38Å; R1283-M1287 PolarHBondContact O-N 2.93Å; R1283-E1290 IonicContact NH1-OE1 3.2Å; R1283-E1290 PolarHBondContact NH1-OE1 2.86Å; R1283-E1290 IonicContact NH1-OE2 2.82Å; R1283-E1290 PolarHBondContact NH1-OE2 3.43Å; R1283-E1433 IonicContact CZ-OE1 3.23Å; R1283-E1433 IonicContact CZ-OE2 3.47Å; R1283-E1433 IonicContact NE-OE2 3.14Å; R1283-E1433 IonicContact NH1-OE1 2.65Å; R1283-E1433 PolarHBondContact NH1-OE1 2.86Å; R1283-E1433 IonicContact NH1-OE2 2.65Å; R1283-E1433 PolarHBondContact NH1-OE2 2.78Å; R1283-E1433 IonicContact NH2-OE1 3.91Å; R1283-E1433 PolarHBondContact NH2-OE1 2.63Å; R1283-E1433 IonicContact NH2-OE2 3.23Å; R1283-E1433 PolarHBondContact NH2-OE2 2.96Å |
| 1284 | G | 31.1 | Very low | 36.1 | Very low | 52 Ų | 52 | 88.9 Ų | 88.9 | 54% | 0.536 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -105.6 | -12.2 | 143.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | N1280 H1282 N1288 | N1280-G1284 PolarHBondContact O-N 3.29Å; H1282-G1284 VanDerWaalsContact C-N 3.31Å; H1282-G1284 PolarHBondContact O-N 3.33Å; G1284-N1288 PolarHBondContact O-ND2 2.89Å |
| 1285 | S | 32.4 | Very low | 37.8 | Very low | 68.6 Ų | 68.6 | 91 Ų | 91 | 48% | 0.48 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -117.9 | -19 | 179.1 | -162 | 0 | 0 | 0 | 0 | 113.4 | E1281 H1282 R1283 M1287 N1288 | E1281-S1285 PolarHBondContact O-N 3.4Å; H1282-S1285 WeakPolarHBondContact O-CB 3.42Å; H1282-S1285 PolarHBondContact O-N 2.9Å; H1282-S1285 VanDerWaalsContact O-N 3.11Å; R1283-S1285 PolarHBondContact O-N 3.35Å; R1283-S1285 VanDerWaalsContact O-N 3.13Å; S1285-M1287 PolarHBondContact O-N 3.36Å; S1285-M1287 WeakPolarHBondContact OG-CE 2.97Å; S1285-M1287 VanDerWaalsContact OG-CG 3.3Å; S1285-M1287 WeakPolarHBondContact OG-CG 3.25Å; S1285-M1287 PolarHBondContact OG-SD 2.88Å; S1285-N1288 WeakPolarHBondContact O-CB 3.49Å; S1285-N1288 PolarHBondContact O-N 3.36Å |
| 1286 | Q | 31 | Very low | 39.2 | Very low | 120.6 Ų | 120.6 | 88.9 Ų | 88.9 | 56% | 0.564 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -85.1 | 11.9 | -175.1 | -105 | 175.8 | -37.4 | 0 | 0 | 113.3 | H1282 R1283 N1288 S1289 E1290 | H1282-Q1286 WeakPolarHBondContact O-CB 3.44Å; H1282-Q1286 PolarHBondContact O-N 2.84Å; R1283-Q1286 PolarHBondContact O-N 2.95Å; Q1286-N1288 VanDerWaalsContact C-N 3.34Å; Q1286-N1288 PolarHBondContact O-N 2.99Å; Q1286-S1289 PolarHBondContact O-N 3.08Å; Q1286-S1289 PolarHBondContact O-OG 2.96Å; Q1286-E1290 PolarHBondContact O-N 3.1Å |
| 1287 | M | 34.5 | Very low | 40.9 | Very low | 96.4 Ų | 96.4 | 91.5 Ų | 91.5 | 48% | 0.475 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -101.1 | 12.9 | 179.5 | -79.6 | -160.5 | 110.5 | 0 | 0 | 110.3 | R1283 S1285 S1289 E1290 L1291 N1438 M1466 | R1283-M1287 HydrophobicContact CB-CG 4.31Å; R1283-M1287 HydrophobicContact CB-SD 4.41Å; R1283-M1287 HydrophobicContact CG-CG 4.26Å; R1283-M1287 WeakPolarHBondContact O-CB 3.31Å; R1283-M1287 VanDerWaalsContact O-CG 3.26Å; R1283-M1287 WeakPolarHBondContact O-CG 3.38Å; R1283-M1287 PolarHBondContact O-N 2.93Å; S1285-M1287 PolarHBondContact O-N 3.36Å; S1285-M1287 WeakPolarHBondContact OG-CE 2.97Å; S1285-M1287 VanDerWaalsContact OG-CG 3.3Å; S1285-M1287 WeakPolarHBondContact OG-CG 3.25Å; S1285-M1287 PolarHBondContact OG-SD 2.88Å; M1287-S1289 VanDerWaalsContact C-N 3.32Å; M1287-S1289 PolarHBondContact O-N 3.11Å; M1287-E1290 PolarHBondContact O-N 3.44Å; M1287-L1291 HydrophobicContact CE-CD2 4.45Å; M1287-L1291 WeakPolarHBondContact O-CA 3.26Å; M1287-L1291 WeakPolarHBondContact O-CB 3.17Å; M1287-L1291 PolarHBondContact O-N 3.22Å; M1287-L1291 HydrophobicContact SD-CD2 3.8Å; M1287-N1438 HydrophobicContact SD-CB 3.6Å; M1287-N1438 PolarHBondContact SD-OD1 3.02Å; M1287-M1466 HydrophobicContact CE-CB 3.57Å; M1287-M1466 HydrophobicContact CE-CE 3.54Å; M1287-M1466 HydrophobicContact CE-CG 4.37Å; M1287-M1466 HydrophobicContact CG-CE 3.75Å; M1287-M1466 HydrophobicContact SD-CB 3.62Å; M1287-M1466 HydrophobicContact SD-CE 3.6Å; M1287-M1466 VanDerWaalsContact SD-CE 3.6Å; M1287-M1466 HydrophobicContact SD-CG 3.89Å |
| 1288 | N | 39.8 | Very low | 42.5 | Very low | 86.6 Ų | 86.6 | 89.1 Ų | 89.1 | 46% | 0.463 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -85.4 | 5.9 | 169.3 | -78.9 | -34.1 | 0 | 0 | 0 | 113.5 | G1284 S1285 Q1286 E1290 L1291 L1292 M1466 K1489 | G1284-N1288 PolarHBondContact O-ND2 2.89Å; S1285-N1288 WeakPolarHBondContact O-CB 3.49Å; S1285-N1288 PolarHBondContact O-N 3.36Å; Q1286-N1288 VanDerWaalsContact C-N 3.34Å; Q1286-N1288 PolarHBondContact O-N 2.99Å; N1288-E1290 PolarHBondContact O-N 3.29Å; N1288-L1291 HydrophobicContact CB-CB 3.6Å; N1288-L1291 PolarHBondContact O-N 3.28Å; N1288-L1292 VanDerWaalsContact O-CB 3.26Å; N1288-L1292 WeakPolarHBondContact O-CB 3.35Å; N1288-L1292 VanDerWaalsContact O-CD1 3.3Å; N1288-L1292 WeakPolarHBondContact O-CD1 3.38Å; N1288-L1292 PolarHBondContact O-N 3.08Å; N1288-M1466 WeakPolarHBondContact ND2-CE 3.28Å; N1288-M1466 PolarHBondContact ND2-SD 3.15Å; N1288-K1489 PolarHBondContact OD1-NZ 3.29Å |
| 1289 | S | 38.8 | Very low | 44.5 | Very low | 73.4 Ų | 73.4 | 88 Ų | 88 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -83 | -40.7 | 166.9 | 53.3 | 0 | 0 | 0 | 0 | 112.4 | Q1286 M1287 L1291 L1292 T1293 | Q1286-S1289 PolarHBondContact O-N 3.08Å; Q1286-S1289 PolarHBondContact O-OG 2.96Å; M1287-S1289 VanDerWaalsContact C-N 3.32Å; M1287-S1289 PolarHBondContact O-N 3.11Å; S1289-L1291 VanDerWaalsContact C-N 3.32Å; S1289-L1291 PolarHBondContact O-N 2.95Å; S1289-L1292 PolarHBondContact O-N 2.79Å; S1289-T1293 WeakPolarHBondContact O-CB 3.34Å; S1289-T1293 WeakPolarHBondContact O-CG2 3.41Å; S1289-T1293 PolarHBondContact O-N 3.13Å; S1289-T1293 PolarHBondContact O-OG1 2.93Å |
| 1290 | E | 42.7 | Very low | 46.4 | Very low | 109.2 Ų | 109.2 | 87.2 Ų | 87.2 | 51% | 0.51 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.9 | -32.5 | 177.6 | -67.9 | 177.3 | 176.4 | 0 | 0 | 112.6 | R1283 Q1286 M1287 N1288 L1292 T1293 G1294 K1489 Q1514 | R1283-E1290 IonicContact NH1-OE1 3.2Å; R1283-E1290 PolarHBondContact NH1-OE1 2.86Å; R1283-E1290 IonicContact NH1-OE2 2.82Å; R1283-E1290 PolarHBondContact NH1-OE2 3.43Å; Q1286-E1290 PolarHBondContact O-N 3.1Å; M1287-E1290 PolarHBondContact O-N 3.44Å; N1288-E1290 PolarHBondContact O-N 3.29Å; E1290-L1292 VanDerWaalsContact C-N 3.31Å; E1290-L1292 PolarHBondContact O-N 2.73Å; E1290-T1293 WeakPolarHBondContact CA-OG1 3.43Å; E1290-T1293 PolarHBondContact O-N 3.08Å; E1290-T1293 PolarHBondContact O-OG1 3.05Å; E1290-T1293 VanDerWaalsContact O-OG1 3.1Å; E1290-G1294 WeakPolarHBondContact O-CA 3.12Å; E1290-G1294 PolarHBondContact O-N 3.05Å; E1290-K1489 IonicContact OE1-NZ 3.47Å; E1290-K1489 PolarHBondContact OE1-NZ 3.26Å; E1290-K1489 WeakPolarHBondContact OE2-CE 3.09Å; E1290-K1489 IonicContact OE2-NZ 3.19Å; E1290-K1489 PolarHBondContact OE2-NZ 3.12Å; E1290-Q1514 PolarHBondContact OE1-NE2 2.79Å |
| 1291 | L | 44.1 | Very low | 48.1 | Very low | 79.4 Ų | 79.4 | 85.6 Ų | 85.6 | 42% | 0.416 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.5 | -37.1 | 172.9 | -171.8 | 68.5 | 0 | 0 | 0 | 111.2 | M1287 N1288 S1289 G1294 I1295 H1437 | M1287-L1291 HydrophobicContact CE-CD2 4.45Å; M1287-L1291 WeakPolarHBondContact O-CA 3.26Å; M1287-L1291 WeakPolarHBondContact O-CB 3.17Å; M1287-L1291 PolarHBondContact O-N 3.22Å; M1287-L1291 HydrophobicContact SD-CD2 3.8Å; N1288-L1291 HydrophobicContact CB-CB 3.6Å; N1288-L1291 PolarHBondContact O-N 3.28Å; S1289-L1291 VanDerWaalsContact C-N 3.32Å; S1289-L1291 PolarHBondContact O-N 2.95Å; L1291-G1294 PolarHBondContact O-N 2.8Å; L1291-I1295 HydrophobicContact CD1-CD1 4.35Å; L1291-I1295 HydrophobicContact CD1-CG1 4.41Å; L1291-I1295 HydrophobicContact CD2-CD1 4.34Å; L1291-I1295 HydrophobicContact CG-CD1 3.92Å; L1291-I1295 HydrophobicContact CG-CG1 4.4Å; L1291-I1295 VanDerWaalsContact O-CB 3.24Å; L1291-I1295 WeakPolarHBondContact O-CB 3.35Å; L1291-I1295 WeakPolarHBondContact O-CD1 3.22Å; L1291-I1295 VanDerWaalsContact O-CG1 3.31Å; L1291-I1295 WeakPolarHBondContact O-CG1 3.28Å; L1291-I1295 PolarHBondContact O-N 3.06Å; L1291-H1437 HydrophobicContact CD1-CB 4.19Å; L1291-H1437 HydrophobicContact CD2-CB 3.58Å; L1291-H1437 VanDerWaalsContact CD2-CG 3.42Å |
| 1292 | L | 47.3 | Very low | 50 | Low | 123.2 Ų | 123.2 | 86.2 Ų | 86.2 | 65% | 0.645 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.6 | -38.1 | 177.2 | -138.1 | 73 | 0 | 0 | 0 | 112.1 | N1288 S1289 E1290 A1296 | N1288-L1292 VanDerWaalsContact O-CB 3.26Å; N1288-L1292 WeakPolarHBondContact O-CB 3.35Å; N1288-L1292 VanDerWaalsContact O-CD1 3.3Å; N1288-L1292 WeakPolarHBondContact O-CD1 3.38Å; N1288-L1292 PolarHBondContact O-N 3.08Å; S1289-L1292 PolarHBondContact O-N 2.79Å; E1290-L1292 VanDerWaalsContact C-N 3.31Å; E1290-L1292 PolarHBondContact O-N 2.73Å; L1292-A1296 VanDerWaalsContact O-CB 3.3Å; L1292-A1296 WeakPolarHBondContact O-CB 3.36Å; L1292-A1296 PolarHBondContact O-N 3.23Å |
| 1293 | T | 55 | Low | 52.2 | Low | 84.2 Ų | 84.2 | 85.6 Ų | 85.6 | 52% | 0.517 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.2 | -36.8 | 173.5 | 50.8 | 0 | 0 | 0 | 0 | 112 | S1289 E1290 A1296 L1297 | S1289-T1293 WeakPolarHBondContact O-CB 3.34Å; S1289-T1293 WeakPolarHBondContact O-CG2 3.41Å; S1289-T1293 PolarHBondContact O-N 3.13Å; S1289-T1293 PolarHBondContact O-OG1 2.93Å; E1290-T1293 WeakPolarHBondContact CA-OG1 3.43Å; E1290-T1293 PolarHBondContact O-N 3.08Å; E1290-T1293 PolarHBondContact O-OG1 3.05Å; E1290-T1293 VanDerWaalsContact O-OG1 3.1Å; T1293-A1296 PolarHBondContact O-N 3.11Å; T1293-L1297 VanDerWaalsContact O-CB 3.24Å; T1293-L1297 WeakPolarHBondContact O-CB 3.27Å; T1293-L1297 VanDerWaalsContact O-CG 3.29Å; T1293-L1297 WeakPolarHBondContact O-CG 3.31Å; T1293-L1297 PolarHBondContact O-N 3.14Å |
| 1294 | G | 58.4 | Low | 54.3 | Low | 40.4 Ų | 40.4 | 82.9 Ų | 82.9 | 42% | 0.416 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1290 L1291 L1297 G1298 | E1290-G1294 WeakPolarHBondContact O-CA 3.12Å; E1290-G1294 PolarHBondContact O-N 3.05Å; L1291-G1294 PolarHBondContact O-N 2.8Å; G1294-L1297 PolarHBondContact O-N 3.09Å; G1294-G1298 WeakPolarHBondContact O-CA 3.06Å; G1294-G1298 PolarHBondContact O-N 3.14Å |
| 1295 | I | 64.1 | Low | 56.2 | Low | 91.4 Ų | 91.4 | 84.7 Ų | 84.7 | 47% | 0.469 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 172.9 | -71.4 | 167.3 | 0 | 0 | 0 | 110.7 | L1291 L1297 G1298 V1299 | L1291-I1295 HydrophobicContact CD1-CD1 4.35Å; L1291-I1295 HydrophobicContact CD1-CG1 4.41Å; L1291-I1295 HydrophobicContact CD2-CD1 4.34Å; L1291-I1295 HydrophobicContact CG-CD1 3.92Å; L1291-I1295 HydrophobicContact CG-CG1 4.4Å; L1291-I1295 VanDerWaalsContact O-CB 3.24Å; L1291-I1295 WeakPolarHBondContact O-CB 3.35Å; L1291-I1295 WeakPolarHBondContact O-CD1 3.22Å; L1291-I1295 VanDerWaalsContact O-CG1 3.31Å; L1291-I1295 WeakPolarHBondContact O-CG1 3.28Å; L1291-I1295 PolarHBondContact O-N 3.06Å; I1295-L1297 PolarHBondContact O-N 2.84Å; I1295-G1298 CarbonylContact O-C 3.49Å; I1295-G1298 PolarHBondContact O-N 3.25Å; I1295-V1299 HydrophobicContact CG2-CG2 4.29Å; I1295-V1299 VanDerWaalsContact O-CB 3.27Å; I1295-V1299 WeakPolarHBondContact O-CB 3.25Å; I1295-V1299 VanDerWaalsContact O-CG2 3.28Å; I1295-V1299 WeakPolarHBondContact O-CG2 3.33Å; I1295-V1299 PolarHBondContact O-N 3.13Å |
| 1296 | A | 60.8 | Low | 58.2 | Low | 52.8 Ų | 52.8 | 85.2 Ų | 85.2 | 44% | 0.436 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.2 | -44.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1292 T1293 V1299 V1300 | L1292-A1296 VanDerWaalsContact O-CB 3.3Å; L1292-A1296 WeakPolarHBondContact O-CB 3.36Å; L1292-A1296 PolarHBondContact O-N 3.23Å; T1293-A1296 PolarHBondContact O-N 3.11Å; A1296-V1299 PolarHBondContact O-N 3.21Å; A1296-V1300 VanDerWaalsContact O-CB 3.3Å; A1296-V1300 WeakPolarHBondContact O-CB 3.4Å; A1296-V1300 VanDerWaalsContact O-CG2 3.28Å; A1296-V1300 WeakPolarHBondContact O-CG2 3.37Å; A1296-V1300 PolarHBondContact O-N 3.11Å |
| 1297 | L | 66.8 | Low | 60.2 | Low | 124.2 Ų | 124.2 | 81.7 Ų | 81.7 | 65% | 0.65 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.7 | -40.6 | 174.4 | -71.8 | 169.8 | 0 | 0 | 0 | 111.6 | T1293 G1294 I1295 V1299 V1300 A1301 | T1293-L1297 VanDerWaalsContact O-CB 3.24Å; T1293-L1297 WeakPolarHBondContact O-CB 3.27Å; T1293-L1297 VanDerWaalsContact O-CG 3.29Å; T1293-L1297 WeakPolarHBondContact O-CG 3.31Å; T1293-L1297 PolarHBondContact O-N 3.14Å; G1294-L1297 PolarHBondContact O-N 3.09Å; I1295-L1297 PolarHBondContact O-N 2.84Å; L1297-V1299 VanDerWaalsContact C-N 3.34Å; L1297-V1299 PolarHBondContact O-N 2.91Å; L1297-V1300 PolarHBondContact O-N 3.09Å; L1297-A1301 WeakPolarHBondContact O-CB 3.4Å; L1297-A1301 PolarHBondContact O-N 3.22Å |
| 1298 | G | 65 | Low | 61.9 | Low | 40.6 Ų | 40.6 | 81 Ų | 81 | 42% | 0.419 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.1 | -39.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | G1294 I1295 A1301 L1302 | G1294-G1298 WeakPolarHBondContact O-CA 3.06Å; G1294-G1298 PolarHBondContact O-N 3.14Å; I1295-G1298 CarbonylContact O-C 3.49Å; I1295-G1298 PolarHBondContact O-N 3.25Å; G1298-A1301 PolarHBondContact O-N 3.06Å; G1298-L1302 VanDerWaalsContact O-CB 3.27Å; G1298-L1302 WeakPolarHBondContact O-CB 3.3Å; G1298-L1302 PolarHBondContact O-N 2.98Å |
| 1299 | V | 71.4 | Confident | 63.4 | Low | 71.8 Ų | 71.8 | 82.8 Ų | 82.8 | 44% | 0.435 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.2 | -39 | 174.6 | 167.9 | 0 | 0 | 0 | 0 | 111.2 | I1295 A1296 L1297 L1302 L1303 | I1295-V1299 HydrophobicContact CG2-CG2 4.29Å; I1295-V1299 VanDerWaalsContact O-CB 3.27Å; I1295-V1299 WeakPolarHBondContact O-CB 3.25Å; I1295-V1299 VanDerWaalsContact O-CG2 3.28Å; I1295-V1299 WeakPolarHBondContact O-CG2 3.33Å; I1295-V1299 PolarHBondContact O-N 3.13Å; A1296-V1299 PolarHBondContact O-N 3.21Å; L1297-V1299 VanDerWaalsContact C-N 3.34Å; L1297-V1299 PolarHBondContact O-N 2.91Å; V1299-L1302 PolarHBondContact O-N 2.98Å; V1299-L1303 HydrophobicContact CG1-CD1 3.74Å; V1299-L1303 HydrophobicContact CG1-CG 4.21Å; V1299-L1303 VanDerWaalsContact O-CB 3.27Å; V1299-L1303 WeakPolarHBondContact O-CB 3.36Å; V1299-L1303 VanDerWaalsContact O-CG 3.25Å; V1299-L1303 WeakPolarHBondContact O-CG 3.34Å; V1299-L1303 PolarHBondContact O-N 3.1Å |
| 1300 | V | 70.6 | Confident | 65.1 | Low | 85.6 Ų | 85.6 | 83 Ų | 83 | 52% | 0.519 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.5 | -40.2 | 173.4 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | A1296 L1297 L1303 T1304 | A1296-V1300 VanDerWaalsContact O-CB 3.3Å; A1296-V1300 WeakPolarHBondContact O-CB 3.4Å; A1296-V1300 VanDerWaalsContact O-CG2 3.28Å; A1296-V1300 WeakPolarHBondContact O-CG2 3.37Å; A1296-V1300 PolarHBondContact O-N 3.11Å; L1297-V1300 PolarHBondContact O-N 3.09Å; V1300-L1303 PolarHBondContact O-N 3.23Å; V1300-T1304 HydrophobicContact CG1-CG2 4.35Å; V1300-T1304 VanDerWaalsContact O-CB 3.29Å; V1300-T1304 WeakPolarHBondContact O-CB 3.37Å; V1300-T1304 VanDerWaalsContact O-CG2 3.26Å; V1300-T1304 WeakPolarHBondContact O-CG2 3.38Å; V1300-T1304 PolarHBondContact O-N 2.89Å; V1300-T1304 PolarHBondContact O-OG1 3.01Å |
| 1301 | A | 65.3 | Low | 66.4 | Low | 50.8 Ų | 50.8 | 83.2 Ų | 83.2 | 42% | 0.42 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.3 | -46.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1297 G1298 L1303 T1304 V1305 | L1297-A1301 WeakPolarHBondContact O-CB 3.4Å; L1297-A1301 PolarHBondContact O-N 3.22Å; G1298-A1301 PolarHBondContact O-N 3.06Å; A1301-L1303 VanDerWaalsContact C-N 3.35Å; A1301-L1303 PolarHBondContact O-N 3.25Å; A1301-T1304 WeakPolarHBondContact CA-OG1 3.35Å; A1301-T1304 PolarHBondContact O-N 3.04Å; A1301-T1304 PolarHBondContact O-OG1 3.15Å; A1301-T1304 VanDerWaalsContact O-OG1 3.11Å; A1301-V1305 WeakPolarHBondContact O-CB 3.37Å; A1301-V1305 VanDerWaalsContact O-CG2 3.3Å; A1301-V1305 WeakPolarHBondContact O-CG2 3.38Å; A1301-V1305 PolarHBondContact O-N 3.18Å |
| 1302 | L | 71.8 | Confident | 67.5 | Low | 106.4 Ų | 106.4 | 82.8 Ų | 82.8 | 56% | 0.557 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.9 | -42 | 177.7 | -164.4 | 77.2 | 0 | 0 | 0 | 111.8 | G1298 V1299 V1305 L1306 W1399 | G1298-L1302 VanDerWaalsContact O-CB 3.27Å; G1298-L1302 WeakPolarHBondContact O-CB 3.3Å; G1298-L1302 PolarHBondContact O-N 2.98Å; V1299-L1302 PolarHBondContact O-N 2.98Å; L1302-V1305 PolarHBondContact O-N 3.17Å; L1302-L1306 HydrophobicContact CG-CD1 4.38Å; L1302-L1306 VanDerWaalsContact O-CB 3.29Å; L1302-L1306 WeakPolarHBondContact O-CB 3.39Å; L1302-L1306 PolarHBondContact O-N 3.2Å; L1302-W1399 HydrophobicContact CD1-CH2 4.47Å; L1302-W1399 HydrophobicContact CD1-CZ3 3.99Å; L1302-W1399 HydrophobicContact CG-CZ3 4.25Å |
| 1303 | L | 75.7 | Confident | 68.5 | Low | 104 Ų | 104 | 82.6 Ų | 82.6 | 55% | 0.545 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.9 | -34.5 | 178.2 | -74.3 | 172.6 | 0 | 0 | 0 | 112.7 | V1299 V1300 A1301 L1306 A1307 | V1299-L1303 HydrophobicContact CG1-CD1 3.74Å; V1299-L1303 HydrophobicContact CG1-CG 4.21Å; V1299-L1303 VanDerWaalsContact O-CB 3.27Å; V1299-L1303 WeakPolarHBondContact O-CB 3.36Å; V1299-L1303 VanDerWaalsContact O-CG 3.25Å; V1299-L1303 WeakPolarHBondContact O-CG 3.34Å; V1299-L1303 PolarHBondContact O-N 3.1Å; V1300-L1303 PolarHBondContact O-N 3.23Å; A1301-L1303 VanDerWaalsContact C-N 3.35Å; A1301-L1303 PolarHBondContact O-N 3.25Å; L1303-L1306 PolarHBondContact O-N 3.02Å; L1303-A1307 WeakPolarHBondContact O-CA 3.26Å; L1303-A1307 WeakPolarHBondContact O-CB 3.22Å; L1303-A1307 PolarHBondContact O-N 3.25Å |
| 1304 | T | 73.1 | Confident | 69.1 | Low | 78.8 Ų | 78.8 | 87 Ų | 87 | 48% | 0.483 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -73.8 | -35.1 | 174.3 | 48.5 | 0 | 0 | 0 | 0 | 111.9 | V1300 A1301 A1307 T1308 | V1300-T1304 HydrophobicContact CG1-CG2 4.35Å; V1300-T1304 VanDerWaalsContact O-CB 3.29Å; V1300-T1304 WeakPolarHBondContact O-CB 3.37Å; V1300-T1304 VanDerWaalsContact O-CG2 3.26Å; V1300-T1304 WeakPolarHBondContact O-CG2 3.38Å; V1300-T1304 PolarHBondContact O-N 2.89Å; V1300-T1304 PolarHBondContact O-OG1 3.01Å; A1301-T1304 WeakPolarHBondContact CA-OG1 3.35Å; A1301-T1304 PolarHBondContact O-N 3.04Å; A1301-T1304 PolarHBondContact O-OG1 3.15Å; A1301-T1304 VanDerWaalsContact O-OG1 3.11Å; T1304-A1307 PolarHBondContact O-N 2.82Å; T1304-T1308 VanDerWaalsContact O-CB 3.28Å; T1304-T1308 WeakPolarHBondContact O-CB 3.32Å; T1304-T1308 VanDerWaalsContact O-CG2 3.27Å; T1304-T1308 WeakPolarHBondContact O-CG2 3.39Å; T1304-T1308 PolarHBondContact O-N 3.02Å; T1304-T1308 VanDerWaalsContact O-N 3.08Å; T1304-T1308 PolarHBondContact O-OG1 2.98Å |
| 1305 | V | 71 | Confident | 69.3 | Low | 90.4 Ų | 90.4 | 94.3 Ų | 94.3 | 55% | 0.548 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 168.4 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | A1301 L1302 T1308 F1309 | A1301-V1305 WeakPolarHBondContact O-CB 3.37Å; A1301-V1305 VanDerWaalsContact O-CG2 3.3Å; A1301-V1305 WeakPolarHBondContact O-CG2 3.38Å; A1301-V1305 PolarHBondContact O-N 3.18Å; L1302-V1305 PolarHBondContact O-N 3.17Å; V1305-T1308 WeakPolarHBondContact CA-OG1 3.17Å; V1305-T1308 PolarHBondContact O-N 3.22Å; V1305-T1308 PolarHBondContact O-OG1 2.86Å; V1305-T1308 VanDerWaalsContact O-OG1 3.1Å; V1305-F1309 VanDerWaalsContact O-CB 3.3Å; V1305-F1309 WeakPolarHBondContact O-CB 3.36Å; V1305-F1309 PolarHBondContact O-N 3.1Å |
| 1306 | L | 74.1 | Confident | 68.9 | Low | 78.8 Ų | 78.8 | 95.4 Ų | 95.4 | 41% | 0.413 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 174.4 | -109.8 | 143.9 | 0 | 0 | 0 | 112 | L1302 L1303 F1309 I1310 W1399 | L1302-L1306 HydrophobicContact CG-CD1 4.38Å; L1302-L1306 VanDerWaalsContact O-CB 3.29Å; L1302-L1306 WeakPolarHBondContact O-CB 3.39Å; L1302-L1306 PolarHBondContact O-N 3.2Å; L1303-L1306 PolarHBondContact O-N 3.02Å; L1306-F1309 PolarHBondContact O-N 3.04Å; L1306-I1310 HydrophobicContact CD2-CD1 3.93Å; L1306-I1310 HydrophobicContact CD2-CG1 4.37Å; L1306-I1310 VanDerWaalsContact O-CB 3.28Å; L1306-I1310 WeakPolarHBondContact O-CB 3.35Å; L1306-I1310 WeakPolarHBondContact O-CD1 3.34Å; L1306-I1310 VanDerWaalsContact O-CG1 3.27Å; L1306-I1310 WeakPolarHBondContact O-CG1 3.37Å; L1306-I1310 PolarHBondContact O-N 3.03Å; L1306-W1399 HydrophobicContact CD1-CH2 4Å; L1306-W1399 HydrophobicContact CD1-CZ2 4.47Å; L1306-W1399 HydrophobicContact CD1-CZ3 4.04Å; L1306-W1399 HydrophobicContact CD2-CH2 4.19Å; L1306-W1399 HydrophobicContact CD2-CZ2 3.83Å; L1306-W1399 HydrophobicContact CG-CH2 3.54Å; L1306-W1399 HydrophobicContact CG-CZ2 3.69Å; L1306-W1399 HydrophobicContact CG-CZ3 4.1Å |
| 1307 | A | 73.8 | Confident | 68.3 | Low | 47.8 Ų | 47.8 | 99 Ų | 99 | 40% | 0.395 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.9 | -44.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1303 T1304 I1310 L1311 | L1303-A1307 WeakPolarHBondContact O-CA 3.26Å; L1303-A1307 WeakPolarHBondContact O-CB 3.22Å; L1303-A1307 PolarHBondContact O-N 3.25Å; T1304-A1307 PolarHBondContact O-N 2.82Å; A1307-I1310 PolarHBondContact O-N 3.03Å; A1307-L1311 VanDerWaalsContact O-CB 3.3Å; A1307-L1311 WeakPolarHBondContact O-CB 3.3Å; A1307-L1311 WeakPolarHBondContact O-CD1 3.24Å; A1307-L1311 VanDerWaalsContact O-CG 3.24Å; A1307-L1311 WeakPolarHBondContact O-CG 3.2Å; A1307-L1311 PolarHBondContact O-N 2.84Å; A1307-L1311 VanDerWaalsContact O-N 3.09Å |
| 1308 | T | 70.3 | Confident | 67.4 | Low | 80.8 Ų | 80.8 | 101 Ų | 101 | 50% | 0.496 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.8 | -37.6 | 175.3 | 51.2 | 0 | 0 | 0 | 0 | 111.9 | T1304 V1305 L1311 C1312 | T1304-T1308 VanDerWaalsContact O-CB 3.28Å; T1304-T1308 WeakPolarHBondContact O-CB 3.32Å; T1304-T1308 VanDerWaalsContact O-CG2 3.27Å; T1304-T1308 WeakPolarHBondContact O-CG2 3.39Å; T1304-T1308 PolarHBondContact O-N 3.02Å; T1304-T1308 VanDerWaalsContact O-N 3.08Å; T1304-T1308 PolarHBondContact O-OG1 2.98Å; V1305-T1308 WeakPolarHBondContact CA-OG1 3.17Å; V1305-T1308 PolarHBondContact O-N 3.22Å; V1305-T1308 PolarHBondContact O-OG1 2.86Å; V1305-T1308 VanDerWaalsContact O-OG1 3.1Å; T1308-L1311 PolarHBondContact O-N 3.09Å; T1308-C1312 VanDerWaalsContact O-CB 3.28Å; T1308-C1312 WeakPolarHBondContact O-CB 3.26Å; T1308-C1312 PolarHBondContact O-N 2.95Å; T1308-C1312 PolarHBondContact O-SG 3.09Å; T1308-C1312 VanDerWaalsContact O-SG 3.39Å |
| 1309 | F | 71.4 | Confident | 66.6 | Low | 125.8 Ų | 125.8 | 104.3 Ų | 104.3 | 55% | 0.552 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.2 | -41.6 | 172.9 | -169.4 | -92.7 | 0 | 0 | 0 | 112.2 | V1305 L1306 L1311 C1312 Y1313 W1399 | V1305-F1309 VanDerWaalsContact O-CB 3.3Å; V1305-F1309 WeakPolarHBondContact O-CB 3.36Å; V1305-F1309 PolarHBondContact O-N 3.1Å; L1306-F1309 PolarHBondContact O-N 3.04Å; F1309-L1311 VanDerWaalsContact C-N 3.34Å; F1309-L1311 PolarHBondContact O-N 2.85Å; F1309-C1312 PolarHBondContact O-N 3Å; F1309-Y1313 WeakPolarHBondContact O-CA 3.4Å; F1309-Y1313 VanDerWaalsContact O-CB 3.23Å; F1309-Y1313 WeakPolarHBondContact O-CB 3.37Å; F1309-Y1313 PolarHBondContact O-N 2.97Å; F1309-W1399 HydrophobicContact CD2-CH2 4.28Å; F1309-W1399 AromaticContact CE2-CH2 3.63Å; F1309-W1399 HydrophobicContact CE2-CH2 3.63Å; F1309-W1399 AromaticContact CE2-CZ3 3.95Å; F1309-W1399 HydrophobicContact CE2-CZ3 3.95Å |
| 1310 | I | 74.2 | Confident | 65.2 | Low | 77 Ų | 77 | 110.7 Ų | 110.7 | 40% | 0.395 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 174.8 | -72.8 | 165.7 | 0 | 0 | 0 | 110.9 | L1306 A1307 Y1313 R1314 | L1306-I1310 HydrophobicContact CD2-CD1 3.93Å; L1306-I1310 HydrophobicContact CD2-CG1 4.37Å; L1306-I1310 VanDerWaalsContact O-CB 3.28Å; L1306-I1310 WeakPolarHBondContact O-CB 3.35Å; L1306-I1310 WeakPolarHBondContact O-CD1 3.34Å; L1306-I1310 VanDerWaalsContact O-CG1 3.27Å; L1306-I1310 WeakPolarHBondContact O-CG1 3.37Å; L1306-I1310 PolarHBondContact O-N 3.03Å; A1307-I1310 PolarHBondContact O-N 3.03Å; I1310-Y1313 PolarHBondContact O-N 3.32Å; I1310-R1314 HydrophobicContact CG2-CG 4.44Å; I1310-R1314 WeakPolarHBondContact O-CA 3.36Å; I1310-R1314 WeakPolarHBondContact O-CB 3.24Å; I1310-R1314 VanDerWaalsContact O-CG 3.28Å; I1310-R1314 WeakPolarHBondContact O-CG 3.36Å; I1310-R1314 PolarHBondContact O-N 2.97Å |
| 1311 | L | 70.6 | Confident | 64 | Low | 112.8 Ų | 112.8 | 113.1 Ų | 113.1 | 59% | 0.591 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.2 | -43.5 | 174.7 | -74.4 | 168.7 | 0 | 0 | 0 | 111.6 | A1307 T1308 F1309 R1314 R1315 | A1307-L1311 VanDerWaalsContact O-CB 3.3Å; A1307-L1311 WeakPolarHBondContact O-CB 3.3Å; A1307-L1311 WeakPolarHBondContact O-CD1 3.24Å; A1307-L1311 VanDerWaalsContact O-CG 3.24Å; A1307-L1311 WeakPolarHBondContact O-CG 3.2Å; A1307-L1311 PolarHBondContact O-N 2.84Å; A1307-L1311 VanDerWaalsContact O-N 3.09Å; T1308-L1311 PolarHBondContact O-N 3.09Å; F1309-L1311 VanDerWaalsContact C-N 3.34Å; F1309-L1311 PolarHBondContact O-N 2.85Å; L1311-R1314 CarbonylContact O-C 3.59Å; L1311-R1314 PolarHBondContact O-N 2.95Å; L1311-R1315 WeakPolarHBondContact O-CA 3.4Å; L1311-R1315 WeakPolarHBondContact O-CB 3.35Å; L1311-R1315 PolarHBondContact O-N 2.99Å |
| 1312 | C | 66 | Low | 62.7 | Low | 72.2 Ų | 72.2 | 115.8 Ų | 115.8 | 49% | 0.488 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67 | -39.7 | 175.3 | -75.3 | 0 | 0 | 0 | 0 | 112.3 | T1308 F1309 R1315 M1316 | T1308-C1312 VanDerWaalsContact O-CB 3.28Å; T1308-C1312 WeakPolarHBondContact O-CB 3.26Å; T1308-C1312 PolarHBondContact O-N 2.95Å; T1308-C1312 PolarHBondContact O-SG 3.09Å; T1308-C1312 VanDerWaalsContact O-SG 3.39Å; F1309-C1312 PolarHBondContact O-N 3Å; C1312-R1315 PolarHBondContact O-N 3.15Å; C1312-M1316 WeakPolarHBondContact O-CB 3.29Å; C1312-M1316 WeakPolarHBondContact O-CG 3.4Å; C1312-M1316 PolarHBondContact O-N 3.04Å |
| 1313 | Y | 69.4 | Low | 60.9 | Low | 117.2 Ų | 117.2 | 118.8 Ų | 118.8 | 46% | 0.46 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.7 | -39.7 | 174 | -176.7 | -109 | 0 | 0 | 0 | 111.6 | F1309 I1310 R1315 M1316 K1317 | F1309-Y1313 WeakPolarHBondContact O-CA 3.4Å; F1309-Y1313 VanDerWaalsContact O-CB 3.23Å; F1309-Y1313 WeakPolarHBondContact O-CB 3.37Å; F1309-Y1313 PolarHBondContact O-N 2.97Å; I1310-Y1313 PolarHBondContact O-N 3.32Å; Y1313-R1315 VanDerWaalsContact C-N 3.33Å; Y1313-R1315 PolarHBondContact O-N 3.16Å; Y1313-M1316 PolarHBondContact O-N 3.23Å; Y1313-K1317 HydrophobicContact CE1-CD 4.15Å; Y1313-K1317 WeakPolarHBondContact O-CA 3.3Å; Y1313-K1317 WeakPolarHBondContact O-CB 3.28Å; Y1313-K1317 PolarHBondContact O-N 3.21Å |
| 1314 | R | 68 | Low | 58.9 | Low | 176.6 Ų | 176.6 | 120.5 Ų | 120.5 | 67% | 0.666 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.1 | -35.6 | 170.6 | -80.1 | 178.4 | 161.9 | 173.5 | -4.4 | 112 | I1310 L1311 K1317 K1318 | I1310-R1314 HydrophobicContact CG2-CG 4.44Å; I1310-R1314 WeakPolarHBondContact O-CA 3.36Å; I1310-R1314 WeakPolarHBondContact O-CB 3.24Å; I1310-R1314 VanDerWaalsContact O-CG 3.28Å; I1310-R1314 WeakPolarHBondContact O-CG 3.36Å; I1310-R1314 PolarHBondContact O-N 2.97Å; L1311-R1314 CarbonylContact O-C 3.59Å; L1311-R1314 PolarHBondContact O-N 2.95Å; R1314-K1317 PolarHBondContact O-N 2.95Å; R1314-K1318 WeakPolarHBondContact O-CA 3.04Å; R1314-K1318 VanDerWaalsContact O-CB 3.23Å; R1314-K1318 WeakPolarHBondContact O-CB 3.3Å; R1314-K1318 PolarHBondContact O-N 3.24Å |
| 1315 | R | 61.7 | Low | 57 | Low | 194.6 Ų | 194.6 | 120.9 Ų | 120.9 | 73% | 0.734 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.5 | -46.9 | 174.5 | -137.6 | 172.2 | -175.7 | 164.9 | 0.1 | 111.1 | L1311 C1312 Y1313 K1317 K1318 N1319 | L1311-R1315 WeakPolarHBondContact O-CA 3.4Å; L1311-R1315 WeakPolarHBondContact O-CB 3.35Å; L1311-R1315 PolarHBondContact O-N 2.99Å; C1312-R1315 PolarHBondContact O-N 3.15Å; Y1313-R1315 VanDerWaalsContact C-N 3.33Å; Y1313-R1315 PolarHBondContact O-N 3.16Å; R1315-K1317 VanDerWaalsContact C-N 3.32Å; R1315-K1317 PolarHBondContact O-N 2.94Å; R1315-K1318 PolarHBondContact O-N 2.84Å; R1315-N1319 VanDerWaalsContact O-CB 3.28Å; R1315-N1319 WeakPolarHBondContact O-CB 3.38Å; R1315-N1319 PolarHBondContact O-N 3.05Å; R1315-N1319 PolarHBondContact O-OD1 3.01Å; R1315-N1319 VanDerWaalsContact O-OD1 3.06Å |
| 1316 | M | 55.6 | Low | 55.2 | Low | 114.2 Ų | 114.2 | 122.7 Ų | 122.7 | 56% | 0.563 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.9 | -38.4 | 174.1 | -77.8 | -159.1 | -78.7 | 0 | 0 | 113 | C1312 Y1313 K1318 N1319 R1320 | C1312-M1316 WeakPolarHBondContact O-CB 3.29Å; C1312-M1316 WeakPolarHBondContact O-CG 3.4Å; C1312-M1316 PolarHBondContact O-N 3.04Å; Y1313-M1316 PolarHBondContact O-N 3.23Å; M1316-K1318 VanDerWaalsContact C-N 3.32Å; M1316-K1318 PolarHBondContact O-N 3.38Å; M1316-N1319 CarbonylContact O-C 3.43Å; M1316-N1319 PolarHBondContact O-N 2.76Å; M1316-N1319 VanDerWaalsContact O-N 3.08Å; M1316-R1320 VanDerWaalsContact O-CB 3.23Å; M1316-R1320 WeakPolarHBondContact O-CB 3.26Å; M1316-R1320 VanDerWaalsContact O-CG 3.29Å; M1316-R1320 WeakPolarHBondContact O-CG 3.14Å; M1316-R1320 PolarHBondContact O-N 2.93Å |
| 1317 | K | 49.1 | Very low | 53.2 | Low | 129.6 Ų | 129.6 | 128.6 Ų | 128.6 | 56% | 0.563 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -73.4 | -25.9 | 178.1 | -168.1 | 167.6 | -177.7 | 174 | 0 | 112.8 | Y1313 R1314 R1315 I1321 | Y1313-K1317 HydrophobicContact CE1-CD 4.15Å; Y1313-K1317 WeakPolarHBondContact O-CA 3.3Å; Y1313-K1317 WeakPolarHBondContact O-CB 3.28Å; Y1313-K1317 PolarHBondContact O-N 3.21Å; R1314-K1317 PolarHBondContact O-N 2.95Å; R1315-K1317 VanDerWaalsContact C-N 3.32Å; R1315-K1317 PolarHBondContact O-N 2.94Å; K1317-I1321 HydrophobicContact CG-CD1 4.48Å; K1317-I1321 VanDerWaalsContact O-CD1 3.29Å; K1317-I1321 WeakPolarHBondContact O-CD1 3.43Å; K1317-I1321 VanDerWaalsContact O-CG1 3.27Å; K1317-I1321 WeakPolarHBondContact O-CG1 2.99Å; K1317-I1321 PolarHBondContact O-N 3.36Å |
| 1318 | K | 48.1 | Very low | 51.2 | Low | 166 Ų | 166 | 131.2 Ų | 131.2 | 72% | 0.722 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -80.4 | -29.6 | 173.2 | -160.5 | 170.9 | -175.3 | -179 | 0 | 112.3 | R1314 R1315 M1316 R1320 I1321 T1322 | R1314-K1318 WeakPolarHBondContact O-CA 3.04Å; R1314-K1318 VanDerWaalsContact O-CB 3.23Å; R1314-K1318 WeakPolarHBondContact O-CB 3.3Å; R1314-K1318 PolarHBondContact O-N 3.24Å; R1315-K1318 PolarHBondContact O-N 2.84Å; M1316-K1318 VanDerWaalsContact C-N 3.32Å; M1316-K1318 PolarHBondContact O-N 3.38Å; K1318-R1320 PolarHBondContact O-N 3.15Å; K1318-I1321 CarbonylContact O-C 3.53Å; K1318-I1321 WeakPolarHBondContact O-CA 3.46Å; K1318-I1321 PolarHBondContact O-N 3.41Å; K1318-I1321 VanDerWaalsContact O-N 3.09Å; K1318-T1322 PolarHBondContact O-N 3.2Å; K1318-T1322 PolarHBondContact O-OG1 2.96Å |
| 1319 | N | 46.7 | Very low | 49.4 | Very low | 108.8 Ų | 108.8 | 131.6 Ų | 131.6 | 58% | 0.582 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -84.2 | -6.8 | 175.1 | -71.6 | 30.5 | 0 | 0 | 0 | 113.1 | R1315 M1316 I1321 T1322 E1323 | R1315-N1319 VanDerWaalsContact O-CB 3.28Å; R1315-N1319 WeakPolarHBondContact O-CB 3.38Å; R1315-N1319 PolarHBondContact O-N 3.05Å; R1315-N1319 PolarHBondContact O-OD1 3.01Å; R1315-N1319 VanDerWaalsContact O-OD1 3.06Å; M1316-N1319 CarbonylContact O-C 3.43Å; M1316-N1319 PolarHBondContact O-N 2.76Å; M1316-N1319 VanDerWaalsContact O-N 3.08Å; N1319-I1321 PolarHBondContact O-N 3.11Å; N1319-I1321 VanDerWaalsContact O-N 3.13Å; N1319-T1322 WeakPolarHBondContact CA-OG1 3.49Å; N1319-T1322 PolarHBondContact O-N 3.15Å; N1319-T1322 PolarHBondContact O-OG1 3.08Å; N1319-E1323 PolarHBondContact O-N 2.82Å; N1319-E1323 VanDerWaalsContact O-N 3.14Å |
| 1320 | R | 42.1 | Very low | 47.6 | Very low | 206.2 Ų | 206.2 | 134.2 Ų | 134.2 | 78% | 0.778 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | 15.8 | 174.3 | -79.7 | -172.9 | 175.9 | -171.3 | 0.7 | 114.4 | M1316 K1318 | M1316-R1320 VanDerWaalsContact O-CB 3.23Å; M1316-R1320 WeakPolarHBondContact O-CB 3.26Å; M1316-R1320 VanDerWaalsContact O-CG 3.29Å; M1316-R1320 WeakPolarHBondContact O-CG 3.14Å; M1316-R1320 PolarHBondContact O-N 2.93Å; K1318-R1320 PolarHBondContact O-N 3.15Å |
| 1321 | I | 45.3 | Very low | 45.5 | Very low | 135.4 Ų | 135.4 | 137.9 Ų | 137.9 | 69% | 0.694 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -117.5 | 8.3 | 173.1 | -63.9 | 175.4 | 0 | 0 | 0 | 111 | K1317 K1318 N1319 | K1317-I1321 HydrophobicContact CG-CD1 4.48Å; K1317-I1321 VanDerWaalsContact O-CD1 3.29Å; K1317-I1321 WeakPolarHBondContact O-CD1 3.43Å; K1317-I1321 VanDerWaalsContact O-CG1 3.27Å; K1317-I1321 WeakPolarHBondContact O-CG1 2.99Å; K1317-I1321 PolarHBondContact O-N 3.36Å; K1318-I1321 CarbonylContact O-C 3.53Å; K1318-I1321 WeakPolarHBondContact O-CA 3.46Å; K1318-I1321 PolarHBondContact O-N 3.41Å; K1318-I1321 VanDerWaalsContact O-N 3.09Å; N1319-I1321 PolarHBondContact O-N 3.11Å; N1319-I1321 VanDerWaalsContact O-N 3.13Å |
| 1322 | T | 38.4 | Very low | 43.8 | Very low | 107.6 Ų | 107.6 | 138.8 Ų | 138.8 | 66% | 0.66 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -133 | 38.5 | 179.9 | 45.8 | 0 | 0 | 0 | 0 | 113.5 | K1318 N1319 | K1318-T1322 PolarHBondContact O-N 3.2Å; K1318-T1322 PolarHBondContact O-OG1 2.96Å; N1319-T1322 WeakPolarHBondContact CA-OG1 3.49Å; N1319-T1322 PolarHBondContact O-N 3.15Å; N1319-T1322 PolarHBondContact O-OG1 3.08Å |
| 1323 | E | 34.5 | Very low | 42.3 | Very low | 170.4 Ų | 170.4 | 139.8 Ų | 139.8 | 80% | 0.796 | 73% | 0.727 | S | S | * | * | trans | -137.4 | 55.5 | 168.6 | -90.5 | 179.6 | 161.4 | 0 | 0 | 114.6 | N1319 A1325 | N1319-E1323 PolarHBondContact O-N 2.82Å; N1319-E1323 VanDerWaalsContact O-N 3.14Å; E1323-A1325 VanDerWaalsContact C-N 3.25Å; E1323-A1325 PolarHBondContact O-N 3.37Å | ||
| 1324 | T | 32.6 | Very low | 40.6 | Very low | 139.8 Ų | 139.8 | 139.9 Ų | 139.9 | 86% | 0.858 | 74% | 0.742 | S | S | * | * | trans | -106.9 | 57.8 | 160.9 | 52.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1325 | A | 34.9 | Very low | 38.9 | Very low | 87.8 Ų | 87.8 | 138.9 Ų | 138.9 | 73% | 0.726 | 75% | 0.749 | S | S | * | * | trans | -147 | 39.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | E1323 | E1323-A1325 VanDerWaalsContact C-N 3.25Å; E1323-A1325 PolarHBondContact O-N 3.37Å | ||
| 1326 | T | 33.2 | Very low | 37.4 | Very low | 126.4 Ų | 126.4 | 136.4 Ų | 136.4 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | trans | -140.7 | 124.9 | 170.6 | 19 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1327 | K | 31.9 | Very low | 36.2 | Very low | 203.8 Ų | 203.8 | 135.7 Ų | 135.7 | 89% | 0.886 | 76% | 0.757 | S | S | * | * | trans | 81.9 | 81.4 | 159.5 | -75 | 179.1 | -179.1 | -179.3 | 0 | 115.2 | ||||
| 1328 | A | 30.8 | Very low | 35.2 | Very low | 101.4 Ų | 101.4 | 134.2 Ų | 134.2 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | trans | -63.5 | 98 | 136.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1329 | A | 33.8 | Very low | 34.4 | Very low | 89 Ų | 89 | 133.4 Ų | 133.4 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | trans | 161.5 | 133.9 | 161 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1330 | Q | 32.6 | Very low | 33.5 | Very low | 181 Ų | 181 | 135.4 Ų | 135.4 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | trans | 89.2 | 124.1 | 159.6 | -80.5 | 166.7 | -17 | 0 | 0 | 114.5 | ||||
| 1331 | L | 31.3 | Very low | 33.1 | Very low | 155.6 Ų | 155.6 | 132.6 Ų | 132.6 | 82% | 0.815 | 77% | 0.767 | S | S | * | * | 94 | 127.3 | 59.1 | -102.4 | 128.9 | 0 | 0 | 0 | 111.4 | |||||
| 1332 | T | 34.9 | Very low | 32.3 | Very low | 131.2 Ų | 131.2 | 132 Ų | 132 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | -177.3 | 155.7 | 120.7 | 31.7 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1333 | A | 32.6 | Very low | 31.9 | Very low | 93.4 Ų | 93.4 | 134.4 Ų | 134.4 | 77% | 0.772 | 77% | 0.773 | S | S | * | * | trans | -124.2 | 155.1 | 153.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1334 | P | 35.5 | Very low | 31.8 | Very low | 119.6 Ų | 119.6 | 130.7 Ų | 130.7 | 78% | 0.777 | 77% | 0.766 | S | S | * | * | trans | -113.1 | 172.3 | 171.9 | 41 | -31.5 | 0 | 0 | 0 | 114.3 | ||||
| 1335 | L | 31.6 | Very low | 31.7 | Very low | 155.4 Ų | 155.4 | 129.7 Ų | 129.7 | 81% | 0.814 | 76% | 0.76 | S | S | * | * | trans | -154.6 | 151 | 154.1 | -98 | 143.2 | 0 | 0 | 0 | 112.8 | ||||
| 1336 | N | 29.9 | Very low | 31.4 | Very low | 142.2 Ų | 142.2 | 133.7 Ų | 133.7 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | trans | -44.8 | 163.4 | 160.6 | -74.6 | -15.3 | 0 | 0 | 0 | 118.3 | ||||
| 1337 | S | 30.5 | Very low | 31.3 | Very low | 99.4 Ų | 99.4 | 136.1 Ų | 136.1 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | 113.1 | 143.3 | 110 | 60.7 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 1338 | S | 28.6 | Very low | 31.2 | Very low | 98.2 Ų | 98.2 | 132.6 Ų | 132.6 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | trans | 78.9 | 142.7 | 134.1 | 61.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1339 | L | 30.9 | Very low | 31.2 | Very low | 148.6 Ų | 148.6 | 131.6 Ų | 131.6 | 78% | 0.778 | 77% | 0.765 | S | S | * | * | trans | 108.1 | 134.9 | 143.8 | -91 | 100.4 | 0 | 0 | 0 | 113.7 | ||||
| 1340 | Q | 28.4 | Very low | 31.1 | Very low | 151.6 Ų | 151.6 | 130.4 Ų | 130.4 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | 80.5 | 138.5 | 87.2 | -114.4 | 179.3 | -48 | 0 | 0 | 115.1 | |||||
| 1341 | H | 32.5 | Very low | 31.2 | Very low | 146 Ų | 146 | 130.9 Ų | 130.9 | 68% | 0.676 | 76% | 0.762 | S | S | * | * | trans | 112.7 | 151.7 | 142.6 | -87.2 | -67.5 | 0 | 0 | 0 | 115.8 | ||||
| 1342 | D | 29.6 | Very low | 31.2 | Very low | 122.8 Ų | 122.8 | 127.5 Ų | 127.5 | 66% | 0.657 | 75% | 0.752 | S | S | * | * | trans | 174.5 | 145.7 | 159.4 | -80.5 | -29.5 | 0 | 0 | 0 | 114.9 | ||||
| 1343 | L | 30.1 | Very low | 31.1 | Very low | 159.2 Ų | 159.2 | 129.9 Ų | 129.9 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | 113.6 | 143.6 | 107.1 | -117.2 | 70.9 | 0 | 0 | 0 | 111.7 | |||||
| 1344 | S | 30.9 | Very low | 31.2 | Very low | 92.2 Ų | 92.2 | 133.4 Ų | 133.4 | 65% | 0.645 | 75% | 0.752 | S | S | * | * | cis | -148 | 151.7 | -20.7 | 58.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1345 | T | 30.7 | Very low | 31.1 | Very low | 119.8 Ų | 119.8 | 132.3 Ų | 132.3 | 74% | 0.735 | 75% | 0.747 | S | S | * | * | trans | 70.7 | 126.1 | 147.3 | 47.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1346 | M | 29.8 | Very low | 31.1 | Very low | 171.4 Ų | 171.4 | 132.6 Ų | 132.6 | 84% | 0.844 | 75% | 0.748 | S | S | * | * | 145.8 | 127.2 | 128.8 | -88.8 | -169.3 | -176.5 | 0 | 0 | 115.1 | |||||
| 1347 | K | 30.1 | Very low | 31.7 | Very low | 177.2 Ų | 177.2 | 130.5 Ų | 130.5 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | 90.5 | 134.2 | 89.1 | -85.5 | -179.1 | 176.6 | 177.3 | 0 | 115.3 | |||||
| 1348 | C | 29.7 | Very low | 31.9 | Very low | 129.2 Ų | 129.2 | 132.9 Ų | 132.9 | 87% | 0.873 | 75% | 0.747 | S | S | * | * | 83.8 | 149 | 127.9 | -60.8 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1349 | G | 31.4 | Very low | 32.2 | Very low | 81.2 Ų | 81.2 | 133 Ų | 133 | 84% | 0.837 | 75% | 0.749 | S | S | * | * | cis | 149 | 166.2 | 23.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1350 | G | 31.1 | Very low | 32.4 | Very low | 62.6 Ų | 62.6 | 131.3 Ų | 131.3 | 65% | 0.645 | 75% | 0.749 | S | S | * | * | cis | 157.4 | 175.8 | -1.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1351 | H | 35.4 | Very low | 32.7 | Very low | 191.2 Ų | 191.2 | 128.4 Ų | 128.4 | 89% | 0.885 | 75% | 0.751 | S | S | * | * | trans | 85.8 | 149.3 | 171 | -61.9 | -76.2 | 0 | 0 | 0 | 115.8 | ||||
| 1352 | S | 31.1 | Very low | 32.6 | Very low | 85.2 Ų | 85.2 | 126.9 Ų | 126.9 | 60% | 0.596 | 76% | 0.756 | S | S | * | * | cis | 161.9 | 142.8 | 5.4 | 63.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1353 | F | 32.1 | Very low | 32.7 | Very low | 182.4 Ų | 182.4 | 128.4 Ų | 128.4 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | -155.9 | 151.4 | 116 | -77.4 | -78.6 | 0 | 0 | 0 | 111.2 | |||||
| 1354 | H | 35.4 | Very low | 33.1 | Very low | 166 Ų | 166 | 127.9 Ų | 127.9 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | 54.5 | 153 | 62 | -81.5 | -68 | 0 | 0 | 0 | 114 | |||||
| 1355 | S | 33.3 | Very low | 33.2 | Very low | 96.6 Ų | 96.6 | 130.2 Ų | 130.2 | 68% | 0.676 | 76% | 0.759 | S | S | * | * | cis | -148.8 | 161.8 | -0.8 | 50.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1356 | L | 31.1 | Very low | 33.3 | Very low | 160.8 Ų | 160.8 | 128.5 Ų | 128.5 | 84% | 0.842 | 76% | 0.757 | S | S | * | * | trans | 49.8 | 163.8 | 132.9 | -69.1 | 168.5 | 0 | 0 | 0 | 116.1 | ||||
| 1357 | P | 42 | Very low | 33.4 | Very low | 99.2 Ų | 99.2 | 128.9 Ų | 128.9 | 64% | 0.644 | 76% | 0.757 | S | S | * | * | -137.8 | -159.8 | -68.8 | 41 | -21.8 | 0 | 0 | 0 | 114.3 | |||||
| 1358 | N | 35.5 | Very low | 33.4 | Very low | 149 Ų | 149 | 125.9 Ų | 125.9 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | 116.9 | 151.1 | 155.6 | -75.5 | -23.7 | 0 | 0 | 0 | 117.3 | ||||
| 1359 | S | 34.8 | Very low | 33.4 | Very low | 101.8 Ų | 101.8 | 127.8 Ų | 127.8 | 71% | 0.712 | 75% | 0.753 | S | S | * | * | cis | 156.2 | 146.1 | -6.9 | 54.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1360 | S | 36.1 | Very low | 33.3 | Very low | 112.6 Ų | 112.6 | 129.6 Ų | 129.6 | 79% | 0.787 | 75% | 0.751 | S | S | * | * | 102.3 | 125.1 | 63.8 | 62.7 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 1361 | A | 34.3 | Very low | 33.1 | Very low | 90.8 Ų | 90.8 | 131.4 Ų | 131.4 | 75% | 0.75 | 75% | 0.754 | S | S | * | * | 149.9 | 139.2 | 128.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1362 | C | 30.8 | Very low | 32.9 | Very low | 114.6 Ų | 114.6 | 127.5 Ų | 127.5 | 77% | 0.774 | 75% | 0.748 | S | S | * | * | cis | 115.2 | 153.1 | 49.8 | -88.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1363 | M | 31.7 | Very low | 32.8 | Very low | 152.8 Ų | 152.8 | 128.3 Ų | 128.3 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | -143.2 | 159.2 | 90.2 | -81.3 | 169 | 131 | 0 | 0 | 112.4 | |||||
| 1364 | H | 37.3 | Very low | 32.7 | Very low | 149.4 Ų | 149.4 | 124.5 Ų | 124.5 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | cis | -178 | 151.9 | 28.7 | -103.5 | -65.2 | 0 | 0 | 0 | 112 | ||||
| 1365 | N | 32.9 | Very low | 32.4 | Very low | 140.2 Ų | 140.2 | 123.7 Ų | 123.7 | 75% | 0.75 | 75% | 0.75 | S | S | * | * | 81.7 | 137.2 | 122.2 | -101.6 | 4.8 | 0 | 0 | 0 | 118 | |||||
| 1366 | A | 34.1 | Very low | 32.3 | Very low | 85.2 Ų | 85.2 | 126.1 Ų | 126.1 | 70% | 0.704 | 76% | 0.755 | S | S | * | * | 171.7 | 129.2 | 110.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1367 | Q | 31.8 | Very low | 32.2 | Very low | 178.4 Ų | 178.4 | 122.8 Ų | 122.8 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | trans | 118.2 | 130 | 131.2 | -86.3 | 178.5 | -46.9 | 0 | 0 | 114.5 | ||||
| 1368 | C | 30.3 | Very low | 31.6 | Very low | 114 Ų | 114 | 123.1 Ų | 123.1 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | -177.1 | 134.3 | 155.1 | -75.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1369 | Q | 28.5 | Very low | 31.4 | Very low | 170.6 Ų | 170.6 | 120.9 Ų | 120.9 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | 170.4 | 144.5 | 63.4 | -94.2 | 176 | -31 | 0 | 0 | 114.3 | |||||
| 1370 | C | 28.7 | Very low | 31.2 | Very low | 119 Ų | 119 | 122.2 Ų | 122.2 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | 63.6 | 122.3 | 156.2 | -68.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1371 | S | 27.4 | Very low | 31 | Very low | 99.8 Ų | 99.8 | 121.1 Ų | 121.1 | 70% | 0.698 | 75% | 0.748 | S | S | * | * | trans | -176.2 | 136 | 148.2 | 58.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 1372 | S | 31.6 | Very low | 30.7 | Very low | 108.2 Ų | 108.2 | 127.4 Ų | 127.4 | 76% | 0.757 | 75% | 0.753 | S | S | * | * | 123 | 146.7 | 126.8 | 57.9 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1373 | S | 28.9 | Very low | 30.8 | Very low | 102.6 Ų | 102.6 | 128.5 Ų | 128.5 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | 115.3 | 149.5 | 125.3 | 77.5 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1374 | C | 29.3 | Very low | 30.8 | Very low | 103.8 Ų | 103.8 | 131.8 Ų | 131.8 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | trans | 76.2 | 133.2 | 145.1 | -58.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1375 | D | 29.3 | Very low | 30.5 | Very low | 148 Ų | 148 | 130.2 Ų | 130.2 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | 179.8 | 148.3 | 78.7 | -71.9 | -34.9 | 0 | 0 | 0 | 114 | |||||
| 1376 | D | 31.4 | Very low | 30.5 | Very low | 147.6 Ų | 147.6 | 130.1 Ų | 130.1 | 79% | 0.789 | 75% | 0.745 | S | S | * | * | 165.2 | 168.4 | 102.6 | -129 | -8.4 | 0 | 0 | 0 | 116.5 | S1378 | D1376-S1378 PolarHBondContact OD2-N 3.3Š| |||
| 1377 | S | 29.8 | Very low | 30.5 | Very low | 92 Ų | 92 | 132.2 Ų | 132.2 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | trans | 163.1 | 127.6 | 174 | 65.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1378 | S | 29.4 | Very low | 30.3 | Very low | 105 Ų | 105 | 128.9 Ų | 128.9 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | trans | 63.9 | 135.9 | 147.1 | 75.8 | 0 | 0 | 0 | 0 | 121.4 | D1376 | D1376-S1378 PolarHBondContact OD2-N 3.3Š| ||
| 1379 | S | 31.6 | Very low | 30.4 | Very low | 102.4 Ų | 102.4 | 130.8 Ų | 130.8 | 72% | 0.716 | 74% | 0.742 | S | S | * | * | 153.8 | 134.5 | 104.4 | 57.3 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1380 | T | 30.7 | Very low | 30.6 | Very low | 128.2 Ų | 128.2 | 126.5 Ų | 126.5 | 79% | 0.787 | 74% | 0.736 | S | S | * | * | 76.1 | 130.7 | 125.7 | 58.8 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 1381 | A | 30.3 | Very low | 30.7 | Very low | 91 Ų | 91 | 130.2 Ų | 130.2 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | 154.8 | 144.8 | 62.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1382 | R | 29.5 | Very low | 30.8 | Very low | 223 Ų | 223 | 133.4 Ų | 133.4 | 84% | 0.842 | 74% | 0.744 | S | S | * | * | trans | 154.3 | 145.2 | -173 | -103.3 | -172.6 | -150.2 | 179.7 | 5.6 | 111.1 | ||||
| 1383 | I | 31.6 | Very low | 30.8 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 70% | 0.703 | 75% | 0.747 | S | S | * | * | trans | 116.4 | 131.4 | 140.8 | -71.7 | 156.5 | 0 | 0 | 0 | 112.4 | ||||
| 1384 | W | 32 | Very low | 30.8 | Very low | 222.6 Ų | 222.6 | 138.3 Ų | 138.3 | 84% | 0.843 | 74% | 0.744 | S | S | * | * | 168.5 | 152 | 90.6 | -95.2 | 45.3 | 0 | 0 | 0 | 113.5 | |||||
| 1385 | N | 30.4 | Very low | 30.9 | Very low | 115.8 Ų | 115.8 | 140.3 Ų | 140.3 | 62% | 0.619 | 75% | 0.746 | S | S | * | * | cis | 162.8 | 139.4 | 14.8 | -152.3 | 0.7 | 0 | 0 | 0 | 113.5 | ||||
| 1386 | H | 34.5 | Very low | 31.2 | Very low | 138 Ų | 138 | 138.5 Ų | 138.5 | 64% | 0.639 | 74% | 0.741 | S | S | * | * | trans | -156.1 | 139.7 | 150.8 | -97.6 | -74.2 | 0 | 0 | 0 | 115 | ||||
| 1387 | N | 32.6 | Very low | 31.6 | Very low | 129.6 Ų | 129.6 | 137 Ų | 137 | 69% | 0.693 | 73% | 0.733 | S | S | * | * | 37.8 | 127.1 | 128.1 | -80.1 | -13.2 | 0 | 0 | 0 | 116.7 | |||||
| 1388 | C | 28.4 | Very low | 32.1 | Very low | 109.4 Ų | 109.4 | 135 Ų | 135 | 74% | 0.739 | 73% | 0.727 | S | S | * | * | -34.7 | 139 | 88 | -78 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1389 | N | 33.3 | Very low | 32.7 | Very low | 153.6 Ų | 153.6 | 138.7 Ų | 138.7 | 82% | 0.821 | 73% | 0.725 | S | S | * | * | trans | 177.6 | 156.9 | 130.7 | -90.6 | -40.9 | 0 | 0 | 0 | 113.5 | K1391 | N1389-K1391 VanDerWaalsContact OD1-CE 3.25Å; N1389-K1391 WeakPolarHBondContact OD1-CE 3.2Å; N1389-K1391 PolarHBondContact OD1-NZ 3.09Å | ||
| 1390 | A | 32.6 | Very low | 33.3 | Very low | 80.4 Ų | 80.4 | 139.2 Ų | 139.2 | 66% | 0.664 | 72% | 0.719 | S | S | * | * | trans | 167.8 | 125.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | M1392 R1393 C1394 | A1390-M1392 PolarHBondContact O-N 2.59Å; A1390-R1393 PolarHBondContact O-N 3.02Å; A1390-C1394 PolarHBondContact O-N 3.43Å; A1390-C1394 PolarHBondContact O-SG 2.98Å | ||
| 1391 | K | 31.1 | Very low | 34.2 | Very low | 195.2 Ų | 195.2 | 140.4 Ų | 140.4 | 85% | 0.849 | 72% | 0.715 | S | S | * | * | trans | -24.4 | 118.5 | 156.7 | -94.5 | 171.3 | -178.1 | 174.2 | 0 | 113.6 | N1389 | N1389-K1391 VanDerWaalsContact OD1-CE 3.25Å; N1389-K1391 WeakPolarHBondContact OD1-CE 3.2Å; N1389-K1391 PolarHBondContact OD1-NZ 3.09Å | ||
| 1392 | M | 28.7 | Very low | 35.1 | Very low | 167.2 Ų | 167.2 | 139.5 Ų | 139.5 | 82% | 0.824 | 70% | 0.704 | S | S | * | * | trans | 95.3 | 84.4 | 146.8 | -80.7 | -156.6 | -171.6 | 0 | 0 | 114.1 | A1390 | A1390-M1392 PolarHBondContact O-N 2.59Š| ||
| 1393 | R | 31 | Very low | 36.4 | Very low | 216.4 Ų | 216.4 | 132 Ų | 132 | 82% | 0.817 | 68% | 0.68 | S | S | * | * | -166.5 | 89.6 | 113.8 | -91.8 | 168.4 | -174.9 | -164.5 | 0.4 | 111.3 | A1390 I1395 T1396 N1397 | A1390-R1393 PolarHBondContact O-N 3.02Å; R1393-I1395 PolarHBondContact O-N 2.93Å; R1393-T1396 PolarHBondContact O-N 3.29Å; R1393-T1396 VanDerWaalsContact O-N 3.15Å; R1393-T1396 PolarHBondContact O-OG1 3.02Å; R1393-T1396 VanDerWaalsContact O-OG1 3.11Å; R1393-N1397 PolarHBondContact O-N 3.05Å | |||
| 1394 | C | 29 | Very low | 37.7 | Very low | 97.4 Ų | 97.4 | 132.8 Ų | 132.8 | 66% | 0.658 | 68% | 0.678 | S | S | * | * | trans | -37.9 | 123.9 | 137.7 | -68.7 | 0 | 0 | 0 | 0 | 114.1 | A1390 G1398 | A1390-C1394 PolarHBondContact O-N 3.43Å; A1390-C1394 PolarHBondContact O-SG 2.98Å; C1394-G1398 WeakPolarHBondContact O-CA 3.47Å; C1394-G1398 PolarHBondContact O-N 2.65Å | ||
| 1395 | I | 32.5 | Very low | 38.9 | Very low | 146.2 Ų | 146.2 | 129.6 Ų | 129.6 | 75% | 0.75 | 67% | 0.671 | S | S | * | * | S | Bend | trans | 44 | 67 | 142.4 | -47.5 | 173.3 | 0 | 0 | 0 | 114.4 | R1393 W1399 | R1393-I1395 PolarHBondContact O-N 2.93Å; I1395-W1399 VanDerWaalsContact O-CD1 3.26Å |
| 1396 | T | 34.9 | Very low | 39.9 | Very low | 109.8 Ų | 109.8 | 128.9 Ų | 128.9 | 67% | 0.674 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -149.5 | 121.7 | 151.1 | 48.6 | 0 | 0 | 0 | 0 | 112.2 | R1393 G1398 | R1393-T1396 PolarHBondContact O-N 3.29Å; R1393-T1396 VanDerWaalsContact O-N 3.15Å; R1393-T1396 PolarHBondContact O-OG1 3.02Å; R1393-T1396 VanDerWaalsContact O-OG1 3.11Å; T1396-G1398 PolarHBondContact O-N 3.07Å |
| 1397 | N | 40.5 | Very low | 41 | Very low | 117.6 Ų | 117.6 | 126.1 Ų | 126.1 | 63% | 0.629 | 66% | 0.655 | S | S | * | * | S | Bend | trans | 135.4 | -14.2 | 160.6 | -74.4 | 0.8 | 0 | 0 | 0 | 115.8 | R1393 W1399 L1400 Q1401 | R1393-N1397 PolarHBondContact O-N 3.05Å; N1397-W1399 PolarHBondContact O-N 3.03Å; N1397-W1399 VanDerWaalsContact O-N 3.15Å; N1397-L1400 CarbonylContact O-C 3.5Å; N1397-L1400 WeakPolarHBondContact O-CA 3.46Å; N1397-L1400 PolarHBondContact O-N 3.13Å; N1397-Q1401 WeakPolarHBondContact O-CB 3.47Å; N1397-Q1401 PolarHBondContact O-N 3.12Å; N1397-Q1401 VanDerWaalsContact O-N 3.13Å |
| 1398 | G | 38.8 | Very low | 42.1 | Very low | 49.6 Ų | 49.6 | 122.5 Ų | 122.5 | 51% | 0.511 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -46.6 | -28.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | C1394 T1396 L1400 Q1401 S1402 | C1394-G1398 WeakPolarHBondContact O-CA 3.47Å; C1394-G1398 PolarHBondContact O-N 2.65Å; T1396-G1398 PolarHBondContact O-N 3.07Å; G1398-L1400 VanDerWaalsContact C-N 3.33Å; G1398-L1400 PolarHBondContact O-N 3.1Å; G1398-Q1401 PolarHBondContact O-N 3.01Å; G1398-Q1401 VanDerWaalsContact O-N 3.15Å; G1398-S1402 VanDerWaalsContact O-CB 3.25Å; G1398-S1402 WeakPolarHBondContact O-CB 3.16Å; G1398-S1402 PolarHBondContact O-N 3.03Å; G1398-S1402 PolarHBondContact O-OG 3.11Å; G1398-S1402 VanDerWaalsContact O-OG 3.11Å |
| 1399 | W | 41.9 | Very low | 43.1 | Very low | 182.6 Ų | 182.6 | 121.8 Ų | 121.8 | 69% | 0.692 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -77.1 | -31.7 | 170 | -100.7 | 67.1 | 0 | 0 | 0 | 112.9 | L1302 L1306 F1309 I1395 N1397 S1402 I1403 | L1302-W1399 HydrophobicContact CD1-CH2 4.47Å; L1302-W1399 HydrophobicContact CD1-CZ3 3.99Å; L1302-W1399 HydrophobicContact CG-CZ3 4.25Å; L1306-W1399 HydrophobicContact CD1-CH2 4Å; L1306-W1399 HydrophobicContact CD1-CZ2 4.47Å; L1306-W1399 HydrophobicContact CD1-CZ3 4.04Å; L1306-W1399 HydrophobicContact CD2-CH2 4.19Å; L1306-W1399 HydrophobicContact CD2-CZ2 3.83Å; L1306-W1399 HydrophobicContact CG-CH2 3.54Å; L1306-W1399 HydrophobicContact CG-CZ2 3.69Å; L1306-W1399 HydrophobicContact CG-CZ3 4.1Å; F1309-W1399 HydrophobicContact CD2-CH2 4.28Å; F1309-W1399 AromaticContact CE2-CH2 3.63Å; F1309-W1399 HydrophobicContact CE2-CH2 3.63Å; F1309-W1399 AromaticContact CE2-CZ3 3.95Å; F1309-W1399 HydrophobicContact CE2-CZ3 3.95Å; I1395-W1399 VanDerWaalsContact O-CD1 3.26Å; N1397-W1399 PolarHBondContact O-N 3.03Å; N1397-W1399 VanDerWaalsContact O-N 3.15Å; W1399-S1402 PolarHBondContact O-N 3.5Å; W1399-I1403 HydrophobicContact CE3-CD1 3.98Å; W1399-I1403 HydrophobicContact CE3-CG1 4.38Å; W1399-I1403 HydrophobicContact CZ3-CD1 3.97Å; W1399-I1403 VanDerWaalsContact O-CB 3.3Å; W1399-I1403 WeakPolarHBondContact O-CB 3.34Å; W1399-I1403 WeakPolarHBondContact O-CD1 3.25Å; W1399-I1403 VanDerWaalsContact O-CG1 3.23Å; W1399-I1403 WeakPolarHBondContact O-CG1 3.3Å; W1399-I1403 PolarHBondContact O-N 3.06Å |
| 1400 | L | 44.4 | Very low | 43.7 | Very low | 113 Ų | 113 | 121.4 Ų | 121.4 | 59% | 0.592 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -75.9 | -28.7 | 178.3 | -81.3 | 168.1 | 0 | 0 | 0 | 113.6 | N1397 G1398 I1403 F1404 | N1397-L1400 CarbonylContact O-C 3.5Å; N1397-L1400 WeakPolarHBondContact O-CA 3.46Å; N1397-L1400 PolarHBondContact O-N 3.13Å; G1398-L1400 VanDerWaalsContact C-N 3.33Å; G1398-L1400 PolarHBondContact O-N 3.1Å; L1400-I1403 CarbonylContact O-C 3.53Å; L1400-F1404 VanDerWaalsContact O-CB 3.32Å; L1400-F1404 WeakPolarHBondContact O-CB 3.34Å; L1400-F1404 PolarHBondContact O-N 2.97Å |
| 1401 | Q | 51.1 | Low | 44.4 | Very low | 152.8 Ų | 152.8 | 122.5 Ų | 122.5 | 71% | 0.714 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -78.8 | -34.6 | 172.2 | -81.9 | -167.2 | -34.4 | 0 | 0 | 113.2 | N1397 G1398 I1403 F1404 F1405 | N1397-Q1401 WeakPolarHBondContact O-CB 3.47Å; N1397-Q1401 PolarHBondContact O-N 3.12Å; N1397-Q1401 VanDerWaalsContact O-N 3.13Å; G1398-Q1401 PolarHBondContact O-N 3.01Å; G1398-Q1401 VanDerWaalsContact O-N 3.15Å; Q1401-I1403 VanDerWaalsContact C-N 3.3Å; Q1401-I1403 PolarHBondContact O-N 2.84Å; Q1401-F1404 CarbonylContact O-C 3.52Å; Q1401-F1404 PolarHBondContact O-N 3.03Å; Q1401-F1404 VanDerWaalsContact O-N 3.12Å; Q1401-F1405 WeakPolarHBondContact O-CA 3.16Å; Q1401-F1405 WeakPolarHBondContact O-CB 3.3Å; Q1401-F1405 PolarHBondContact O-N 3.2Å |
| 1402 | S | 48.4 | Very low | 45 | Very low | 73 Ų | 73 | 117.6 Ų | 117.6 | 51% | 0.51 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66 | -34.6 | 168.6 | -63.8 | 0 | 0 | 0 | 0 | 111.7 | G1398 W1399 F1405 L1406 | G1398-S1402 VanDerWaalsContact O-CB 3.25Å; G1398-S1402 WeakPolarHBondContact O-CB 3.16Å; G1398-S1402 PolarHBondContact O-N 3.03Å; G1398-S1402 PolarHBondContact O-OG 3.11Å; G1398-S1402 VanDerWaalsContact O-OG 3.11Å; W1399-S1402 PolarHBondContact O-N 3.5Å; S1402-F1405 PolarHBondContact O-N 2.94Å; S1402-L1406 VanDerWaalsContact O-CB 3.27Å; S1402-L1406 WeakPolarHBondContact O-CB 3.14Å; S1402-L1406 WeakPolarHBondContact O-CD1 3.38Å; S1402-L1406 VanDerWaalsContact O-CG 3.28Å; S1402-L1406 WeakPolarHBondContact O-CG 3.31Å; S1402-L1406 PolarHBondContact O-N 3.17Å |
| 1403 | I | 56.6 | Low | 45.7 | Very low | 65.8 Ų | 65.8 | 113.8 Ų | 113.8 | 34% | 0.337 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -69.2 | -39.3 | 169.2 | -74.1 | 168.1 | 0 | 0 | 0 | 110.9 | W1399 L1400 Q1401 F1405 L1406 I1407 | W1399-I1403 HydrophobicContact CE3-CD1 3.98Å; W1399-I1403 HydrophobicContact CE3-CG1 4.38Å; W1399-I1403 HydrophobicContact CZ3-CD1 3.97Å; W1399-I1403 VanDerWaalsContact O-CB 3.3Å; W1399-I1403 WeakPolarHBondContact O-CB 3.34Å; W1399-I1403 WeakPolarHBondContact O-CD1 3.25Å; W1399-I1403 VanDerWaalsContact O-CG1 3.23Å; W1399-I1403 WeakPolarHBondContact O-CG1 3.3Å; W1399-I1403 PolarHBondContact O-N 3.06Å; L1400-I1403 CarbonylContact O-C 3.53Å; Q1401-I1403 VanDerWaalsContact C-N 3.3Å; Q1401-I1403 PolarHBondContact O-N 2.84Å; I1403-F1405 VanDerWaalsContact C-N 3.31Å; I1403-F1405 PolarHBondContact O-N 3.17Å; I1403-L1406 CarbonylContact O-C 3.54Å; I1403-L1406 PolarHBondContact O-N 3.01Å; I1403-I1407 HydrophobicContact CG2-CD1 3.56Å; I1403-I1407 VanDerWaalsContact CG2-CD1 3.42Å; I1403-I1407 HydrophobicContact CG2-CG1 4.17Å; I1403-I1407 WeakPolarHBondContact O-CA 3.27Å; I1403-I1407 VanDerWaalsContact O-CB 3.24Å; I1403-I1407 WeakPolarHBondContact O-CB 3.29Å; I1403-I1407 WeakPolarHBondContact O-CD1 3.35Å; I1403-I1407 WeakPolarHBondContact O-CG1 3.37Å; I1403-I1407 PolarHBondContact O-N 3.09Å |
| 1404 | F | 59 | Low | 46 | Very low | 152.4 Ų | 152.4 | 110.1 Ų | 110.1 | 67% | 0.668 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.9 | -31.3 | 175.2 | -129 | -87.9 | 0 | 0 | 0 | 112.5 | L1400 Q1401 S1408 | L1400-F1404 VanDerWaalsContact O-CB 3.32Å; L1400-F1404 WeakPolarHBondContact O-CB 3.34Å; L1400-F1404 PolarHBondContact O-N 2.97Å; Q1401-F1404 CarbonylContact O-C 3.52Å; Q1401-F1404 PolarHBondContact O-N 3.03Å; Q1401-F1404 VanDerWaalsContact O-N 3.12Å; F1404-S1408 WeakPolarHBondContact O-CB 3.22Å; F1404-S1408 PolarHBondContact O-N 3.17Å |
| 1405 | F | 56.1 | Low | 46.4 | Very low | 156 Ų | 156 | 111.1 Ų | 111.1 | 68% | 0.684 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -78.4 | -34.5 | 174.9 | -152.4 | -88.6 | 0 | 0 | 0 | 111.7 | Q1401 S1402 I1403 S1408 L1409 | Q1401-F1405 WeakPolarHBondContact O-CA 3.16Å; Q1401-F1405 WeakPolarHBondContact O-CB 3.3Å; Q1401-F1405 PolarHBondContact O-N 3.2Å; S1402-F1405 PolarHBondContact O-N 2.94Å; I1403-F1405 VanDerWaalsContact C-N 3.31Å; I1403-F1405 PolarHBondContact O-N 3.17Å; F1405-S1408 PolarHBondContact O-N 2.98Å; F1405-L1409 HydrophobicContact CE1-CD1 4.43Å; F1405-L1409 VanDerWaalsContact O-CB 3.28Å; F1405-L1409 WeakPolarHBondContact O-CB 3.32Å; F1405-L1409 PolarHBondContact O-N 3.11Å |
| 1406 | L | 52.2 | Low | 46.7 | Very low | 101.4 Ų | 101.4 | 108.4 Ų | 108.4 | 53% | 0.531 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -70.9 | -32.1 | 168.9 | -82 | 163.3 | 0 | 0 | 0 | 112.5 | S1402 I1403 L1409 M1410 | S1402-L1406 VanDerWaalsContact O-CB 3.27Å; S1402-L1406 WeakPolarHBondContact O-CB 3.14Å; S1402-L1406 WeakPolarHBondContact O-CD1 3.38Å; S1402-L1406 VanDerWaalsContact O-CG 3.28Å; S1402-L1406 WeakPolarHBondContact O-CG 3.31Å; S1402-L1406 PolarHBondContact O-N 3.17Å; I1403-L1406 CarbonylContact O-C 3.54Å; I1403-L1406 PolarHBondContact O-N 3.01Å; L1406-L1409 HydrophobicContact CD2-CD2 4.49Å; L1406-L1409 PolarHBondContact O-N 3.19Å; L1406-M1410 VanDerWaalsContact O-CB 3.25Å; L1406-M1410 WeakPolarHBondContact O-CB 3.4Å; L1406-M1410 VanDerWaalsContact O-CG 3.27Å; L1406-M1410 WeakPolarHBondContact O-CG 3.39Å; L1406-M1410 PolarHBondContact O-N 2.86Å |
| 1407 | I | 58.4 | Low | 47.1 | Very low | 79 Ų | 79 | 108.2 Ų | 108.2 | 41% | 0.405 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -73.9 | -39.6 | 172.1 | -72.6 | 171.7 | 0 | 0 | 0 | 110 | I1403 M1410 M1411 | I1403-I1407 HydrophobicContact CG2-CD1 3.56Å; I1403-I1407 VanDerWaalsContact CG2-CD1 3.42Å; I1403-I1407 HydrophobicContact CG2-CG1 4.17Å; I1403-I1407 WeakPolarHBondContact O-CA 3.27Å; I1403-I1407 VanDerWaalsContact O-CB 3.24Å; I1403-I1407 WeakPolarHBondContact O-CB 3.29Å; I1403-I1407 WeakPolarHBondContact O-CD1 3.35Å; I1403-I1407 WeakPolarHBondContact O-CG1 3.37Å; I1403-I1407 PolarHBondContact O-N 3.09Å; I1407-M1410 CarbonylContact O-C 3.33Å; I1407-M1410 PolarHBondContact O-N 3.05Å; I1407-M1410 VanDerWaalsContact O-N 3.13Å; I1407-M1411 HydrophobicContact CG2-CE 4.34Å; I1407-M1411 HydrophobicContact CG2-CG 4.07Å; I1407-M1411 VanDerWaalsContact O-CB 3.29Å; I1407-M1411 WeakPolarHBondContact O-CB 3.21Å; I1407-M1411 WeakPolarHBondContact O-CG 3.4Å; I1407-M1411 PolarHBondContact O-N 3.05Å |
| 1408 | S | 55.5 | Low | 47.5 | Very low | 53 Ų | 53 | 104.8 Ų | 104.8 | 37% | 0.371 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.6 | -52 | 169.4 | -159.1 | 0 | 0 | 0 | 0 | 109.4 | F1404 F1405 M1410 M1411 D1412 | F1404-S1408 WeakPolarHBondContact O-CB 3.22Å; F1404-S1408 PolarHBondContact O-N 3.17Å; F1405-S1408 PolarHBondContact O-N 2.98Å; S1408-M1410 VanDerWaalsContact C-N 3.26Å; S1408-M1410 PolarHBondContact O-N 3.01Å; S1408-M1410 VanDerWaalsContact O-N 3.13Å; S1408-M1411 CarbonylContact O-C 3.53Å; S1408-M1411 VanDerWaalsContact O-CA 3.31Å; S1408-M1411 WeakPolarHBondContact O-CA 3.32Å; S1408-M1411 WeakPolarHBondContact O-CB 3.34Å; S1408-M1411 PolarHBondContact O-N 3.32Å; S1408-D1412 VanDerWaalsContact C-OD2 3.25Å; S1408-D1412 WeakPolarHBondContact CB-OD2 3.48Å; S1408-D1412 VanDerWaalsContact O-CB 3.29Å; S1408-D1412 WeakPolarHBondContact O-CB 3.27Å; S1408-D1412 VanDerWaalsContact O-CG 3.27Å; S1408-D1412 PolarHBondContact O-N 3.13Å; S1408-D1412 PolarHBondContact OG-OD2 3.1Å; S1408-D1412 VanDerWaalsContact OG-OD2 3.07Å |
| 1409 | L | 50 | Low | 48.3 | Very low | 95.8 Ų | 95.8 | 108.4 Ų | 108.4 | 50% | 0.502 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.9 | -28.8 | 176.9 | -155.3 | 78.7 | 0 | 0 | 0 | 113 | F1405 L1406 V1413 | F1405-L1409 HydrophobicContact CE1-CD1 4.43Å; F1405-L1409 VanDerWaalsContact O-CB 3.28Å; F1405-L1409 WeakPolarHBondContact O-CB 3.32Å; F1405-L1409 PolarHBondContact O-N 3.11Å; L1406-L1409 HydrophobicContact CD2-CD2 4.49Å; L1406-L1409 PolarHBondContact O-N 3.19Å; L1409-V1413 HydrophobicContact CD1-CG2 4.25Å; L1409-V1413 HydrophobicContact CG-CG2 4.06Å; L1409-V1413 WeakPolarHBondContact O-CA 3.39Å; L1409-V1413 VanDerWaalsContact O-CB 3.32Å; L1409-V1413 WeakPolarHBondContact O-CB 3.35Å; L1409-V1413 WeakPolarHBondContact O-CG2 3.35Å; L1409-V1413 PolarHBondContact O-N 2.96Å |
| 1410 | M | 44.9 | Very low | 49.5 | Very low | 144 Ų | 144 | 101.2 Ų | 101.2 | 71% | 0.709 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -89.3 | -3.9 | 172.4 | -74 | -168.6 | 160.1 | 0 | 0 | 114.7 | L1406 I1407 S1408 R1414 | L1406-M1410 VanDerWaalsContact O-CB 3.25Å; L1406-M1410 WeakPolarHBondContact O-CB 3.4Å; L1406-M1410 VanDerWaalsContact O-CG 3.27Å; L1406-M1410 WeakPolarHBondContact O-CG 3.39Å; L1406-M1410 PolarHBondContact O-N 2.86Å; I1407-M1410 CarbonylContact O-C 3.33Å; I1407-M1410 PolarHBondContact O-N 3.05Å; I1407-M1410 VanDerWaalsContact O-N 3.13Å; S1408-M1410 VanDerWaalsContact C-N 3.26Å; S1408-M1410 PolarHBondContact O-N 3.01Å; S1408-M1410 VanDerWaalsContact O-N 3.13Å; M1410-R1414 VanDerWaalsContact O-CB 3.28Å; M1410-R1414 WeakPolarHBondContact O-CB 3.46Å; M1410-R1414 WeakPolarHBondContact O-CD 3.38Å; M1410-R1414 WeakPolarHBondContact O-CG 3.32Å |
| 1411 | M | 47.3 | Very low | 50.6 | Low | 104 Ų | 104 | 96.4 Ų | 96.4 | 51% | 0.512 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -97.5 | -32.9 | 167.1 | -68.2 | -77.5 | -159.1 | 0 | 0 | 110.7 | Q676 I1407 S1408 R1414 N1415 | Q676-M1411 PolarHBondContact OE1-O 3.4Å; I1407-M1411 HydrophobicContact CG2-CE 4.34Å; I1407-M1411 HydrophobicContact CG2-CG 4.07Å; I1407-M1411 VanDerWaalsContact O-CB 3.29Å; I1407-M1411 WeakPolarHBondContact O-CB 3.21Å; I1407-M1411 WeakPolarHBondContact O-CG 3.4Å; I1407-M1411 PolarHBondContact O-N 3.05Å; S1408-M1411 CarbonylContact O-C 3.53Å; S1408-M1411 VanDerWaalsContact O-CA 3.31Å; S1408-M1411 WeakPolarHBondContact O-CA 3.32Å; S1408-M1411 WeakPolarHBondContact O-CB 3.34Å; S1408-M1411 PolarHBondContact O-N 3.32Å; M1411-R1414 CarbonylContact O-C 3.51Å; M1411-R1414 VanDerWaalsContact O-CA 3.28Å; M1411-R1414 WeakPolarHBondContact O-CA 3.16Å; M1411-R1414 WeakPolarHBondContact O-CB 3.3Å; M1411-R1414 WeakPolarHBondContact O-CD 3.16Å; M1411-R1414 PolarHBondContact O-N 2.92Å; M1411-R1414 VanDerWaalsContact O-N 3.09Å; M1411-R1414 PolarHBondContact SD-NH1 3.36Å; M1411-N1415 PolarHBondContact O-N 2.96Å |
| 1412 | D | 44.1 | Very low | 51.3 | Low | 93.4 Ų | 93.4 | 95.3 Ų | 95.3 | 50% | 0.499 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -78 | -35.3 | 179 | -65.9 | -48.3 | 0 | 0 | 0 | 111.8 | S1408 R1414 N1415 S1416 | S1408-D1412 VanDerWaalsContact C-OD2 3.25Å; S1408-D1412 WeakPolarHBondContact CB-OD2 3.48Å; S1408-D1412 VanDerWaalsContact O-CB 3.29Å; S1408-D1412 WeakPolarHBondContact O-CB 3.27Å; S1408-D1412 VanDerWaalsContact O-CG 3.27Å; S1408-D1412 PolarHBondContact O-N 3.13Å; S1408-D1412 PolarHBondContact OG-OD2 3.1Å; S1408-D1412 VanDerWaalsContact OG-OD2 3.07Å; D1412-R1414 PolarHBondContact O-N 3.05Å; D1412-R1414 VanDerWaalsContact O-N 3.14Å; D1412-N1415 WeakPolarHBondContact O-CB 3.5Å; D1412-N1415 PolarHBondContact O-N 2.79Å; D1412-S1416 PolarHBondContact O-OG 2.99Å |
| 1413 | V | 42.7 | Very low | 52.5 | Low | 87 Ų | 87 | 93.4 Ų | 93.4 | 53% | 0.527 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -67.4 | -6.6 | 171.8 | 171.9 | 0 | 0 | 0 | 0 | 112.5 | P700 L1409 N1415 S1416 | P700-V1413 HydrophobicContact CB-CG1 4.4Å; P700-V1413 HydrophobicContact CG-CG1 4.23Å; L1409-V1413 HydrophobicContact CD1-CG2 4.25Å; L1409-V1413 HydrophobicContact CG-CG2 4.06Å; L1409-V1413 WeakPolarHBondContact O-CA 3.39Å; L1409-V1413 VanDerWaalsContact O-CB 3.32Å; L1409-V1413 WeakPolarHBondContact O-CB 3.35Å; L1409-V1413 WeakPolarHBondContact O-CG2 3.35Å; L1409-V1413 PolarHBondContact O-N 2.96Å; V1413-N1415 VanDerWaalsContact C-N 3.32Å; V1413-N1415 PolarHBondContact O-N 2.72Å; V1413-S1416 PolarHBondContact O-N 3.07Å |
| 1414 | R | 38 | Very low | 53.2 | Low | 138.6 Ų | 138.6 | 95.9 Ų | 95.9 | 52% | 0.523 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -88.3 | -7.1 | 179.5 | -125.9 | 173 | 169.6 | -177 | -2.4 | 114 | Q676 N677 P700 M1410 M1411 D1412 S1416 F1417 | Q676-R1414 WeakPolarHBondContact CA-O 3.23Å; Q676-R1414 HydrophobicContact CB-CB 3.67Å; Q676-R1414 HydrophobicContact CB-CG 4.12Å; Q676-R1414 HydrophobicContact CG-CB 3.62Å; Q676-R1414 WeakPolarHBondContact CG-O 3.44Å; Q676-R1414 PolarHBondContact O-NE 3.31Å; Q676-R1414 PolarHBondContact O-NH2 3Å; Q676-R1414 VanDerWaalsContact OE1-CB 3.29Å; N677-R1414 PolarHBondContact OD1-NH1 2.81Å; N677-R1414 PolarHBondContact OD1-NH2 3.42Å; N677-R1414 VanDerWaalsContact OD1-NH2 3.12Å; P700-R1414 HydrophobicContact CG-CB 4.39Å; P700-R1414 HydrophobicContact CG-CG 3.38Å; M1410-R1414 VanDerWaalsContact O-CB 3.28Å; M1410-R1414 WeakPolarHBondContact O-CB 3.46Å; M1410-R1414 WeakPolarHBondContact O-CD 3.38Å; M1410-R1414 WeakPolarHBondContact O-CG 3.32Å; M1411-R1414 CarbonylContact O-C 3.51Å; M1411-R1414 VanDerWaalsContact O-CA 3.28Å; M1411-R1414 WeakPolarHBondContact O-CA 3.16Å; M1411-R1414 WeakPolarHBondContact O-CB 3.3Å; M1411-R1414 WeakPolarHBondContact O-CD 3.16Å; M1411-R1414 PolarHBondContact O-N 2.92Å; M1411-R1414 VanDerWaalsContact O-N 3.09Å; M1411-R1414 PolarHBondContact SD-NH1 3.36Å; D1412-R1414 PolarHBondContact O-N 3.05Å; D1412-R1414 VanDerWaalsContact O-N 3.14Å; R1414-S1416 VanDerWaalsContact C-N 3.26Å; R1414-F1417 HydrophobicContact CG-CE2 4.4Å; R1414-F1417 WeakPolarHBondContact O-CD2 3.11Å; R1414-F1417 WeakPolarHBondContact O-CE2 3.43Å |
| 1415 | N | 37.3 | Very low | 54 | Low | 117.6 Ų | 117.6 | 94.5 Ų | 94.5 | 63% | 0.629 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -113.5 | 27.4 | 174.8 | -90.3 | -9.6 | 0 | 0 | 0 | 113.8 | N652 G674 Q676 M1411 D1412 V1413 F1417 | N652-N1415 PolarHBondContact OD1-ND2 2.99Å; G674-N1415 VanDerWaalsContact CA-OD1 3.23Å; G674-N1415 WeakPolarHBondContact CA-OD1 3.09Å; G674-N1415 WeakPolarHBondContact O-CB 3.32Å; G674-N1415 PolarHBondContact O-ND2 3.29Å; G674-N1415 PolarHBondContact O-OD1 3.46Å; Q676-N1415 HydrophobicContact CG-CB 4.11Å; M1411-N1415 PolarHBondContact O-N 2.96Å; D1412-N1415 WeakPolarHBondContact O-CB 3.5Å; D1412-N1415 PolarHBondContact O-N 2.79Å; V1413-N1415 VanDerWaalsContact C-N 3.32Å; V1413-N1415 PolarHBondContact O-N 2.72Å; N1415-F1417 VanDerWaalsContact C-N 3.32Å |
| 1416 | S | 39.4 | Very low | 55.1 | Low | 89.2 Ų | 89.2 | 87.2 Ų | 87.2 | 62% | 0.624 | 45% | 0.445 | S | S | * | . | trans | -106.1 | 27.9 | 171 | -36.1 | 0 | 0 | 0 | 0 | 114.2 | N698 D1412 V1413 R1414 H1437 | N698-S1416 PolarHBondContact ND2-N 2.83Å; N698-S1416 PolarHBondContact ND2-O 3.04Å; N698-S1416 PolarHBondContact ND2-OG 3.37Å; N698-S1416 VanDerWaalsContact ND2-OG 3.11Å; D1412-S1416 PolarHBondContact O-OG 2.99Å; V1413-S1416 PolarHBondContact O-N 3.07Å; R1414-S1416 VanDerWaalsContact C-N 3.26Å; S1416-H1437 PolarHBondContact O-CE1 2.76Å; S1416-H1437 VanDerWaalsContact O-CE1 3.32Å; S1416-H1437 PolarHBondContact O-ND1 3.21Å; S1416-H1437 VanDerWaalsContact O-ND1 3.1Å | ||
| 1417 | F | 42.1 | Very low | 56.3 | Low | 107 Ų | 107 | 87 Ų | 87 | 47% | 0.469 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -99.4 | 126.3 | 177.3 | -71.5 | -84 | 0 | 0 | 0 | 111 | R673 G674 M697 N698 M699 R1414 N1415 Y1419 A1436 | R673-F1417 HydrophobicContact CB-CB 3.72Å; R673-F1417 HydrophobicContact CB-CD1 3.53Å; R673-F1417 HydrophobicContact CB-CE1 4.31Å; R673-F1417 HydrophobicContact CB-CG 4.09Å; R673-F1417 HydrophobicContact CG-CD1 4.34Å; R673-F1417 VanDerWaalsContact O-CB 3.28Å; R673-F1417 WeakPolarHBondContact O-CB 3.42Å; G674-F1417 VanDerWaalsContact C-CE2 3.4Å; G674-F1417 VanDerWaalsContact CA-CG 3.47Å; G674-F1417 VanDerWaalsContact N-CD2 3.27Å; M697-F1417 WeakPolarHBondContact O-CE1 3.41Å; M697-F1417 WeakPolarHBondContact O-CZ 3.04Å; N698-F1417 HydrophobicContact CB-CD1 3.8Å; N698-F1417 HydrophobicContact CB-CD2 3.77Å; N698-F1417 HydrophobicContact CB-CE1 3.72Å; N698-F1417 HydrophobicContact CB-CE2 3.55Å; N698-F1417 HydrophobicContact CB-CG 3.95Å; N698-F1417 HydrophobicContact CB-CZ 3.61Å; N698-F1417 WeakPolarHBondContact O-CE2 3.21Å; N698-F1417 WeakPolarHBondContact O-CZ 3.25Å; M699-F1417 HydrophobicContact CB-CZ 4.46Å; M699-F1417 HydrophobicContact CG-CE1 3.79Å; M699-F1417 HydrophobicContact CG-CZ 3.65Å; M699-F1417 HydrophobicContact SD-CE1 4.44Å; R1414-F1417 HydrophobicContact CG-CE2 4.4Å; R1414-F1417 WeakPolarHBondContact O-CD2 3.11Å; R1414-F1417 WeakPolarHBondContact O-CE2 3.43Å; N1415-F1417 VanDerWaalsContact C-N 3.32Å; F1417-Y1419 VanDerWaalsContact C-N 3.28Å; F1417-Y1419 HydrophobicContact CB-CD2 4.01Å; F1417-Y1419 HydrophobicContact CB-CE2 4.1Å; F1417-Y1419 AromaticContact CD1-CE2 3.83Å; F1417-Y1419 HydrophobicContact CD1-CE2 3.83Å; F1417-Y1419 AromaticContact CD1-CZ 3.75Å; F1417-Y1419 HydrophobicContact CD2-CE2 4.37Å; F1417-Y1419 HydrophobicContact CG-CE2 4.41Å; F1417-Y1419 WeakPolarHBondContact O-CD2 3.4Å; F1417-Y1419 PolarHBondContact O-N 3.17Å; F1417-A1436 HydrophobicContact CD1-CB 3.55Å; F1417-A1436 HydrophobicContact CE1-CB 3.98Å |
| 1418 | A | 48.6 | Very low | 57.2 | Low | 45.2 Ų | 45.2 | 87.8 Ų | 87.8 | 37% | 0.374 | 45% | 0.453 | S | S | . | . | trans | -75.9 | 99.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | R673 C1420 S1434 H1437 T1439 | R673-A1418 WeakPolarHBondContact CB-O 3.48Å; R673-A1418 WeakPolarHBondContact CD-O 3.25Å; R673-A1418 WeakPolarHBondContact CG-O 3.02Å; R673-A1418 PolarHBondContact NE-O 3.43Å; R673-A1418 PolarHBondContact NH1-O 3Å; A1418-C1420 PolarHBondContact O-N 3.29Å; A1418-S1434 VanDerWaalsContact O-CB 3.27Å; A1418-S1434 WeakPolarHBondContact O-CB 3.39Å; A1418-S1434 PolarHBondContact O-OG 3.13Å; A1418-H1437 CarbonylContact C-O 3.17Å; A1418-H1437 VanDerWaalsContact CA-O 3.28Å; A1418-H1437 WeakPolarHBondContact CA-O 3.42Å; A1418-H1437 WeakPolarHBondContact CB-O 3.27Å; A1418-H1437 PolarHBondContact N-O 3.03Å; A1418-T1439 VanDerWaalsContact CB-OG1 3.23Å; A1418-T1439 WeakPolarHBondContact CB-OG1 3.29Å; A1418-T1439 PolarHBondContact O-OG1 3.06Å | ||
| 1419 | Y | 56.5 | Low | 58.4 | Low | 125.6 Ų | 125.6 | 88 Ų | 88 | 49% | 0.493 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -89.7 | 139.7 | 178.5 | -79.9 | -73.4 | 0 | 0 | 0 | 112.6 | K651 A669 Q670 R673 F1417 S1434 T1439 | K651-Y1419 WeakPolarHBondContact CE-OH 3.31Å; K651-Y1419 VanDerWaalsContact NZ-CZ 3.32Å; K651-Y1419 PolarHBondContact NZ-OH 3.46Å; A669-Y1419 WeakPolarHBondContact O-CD1 3.48Å; A669-Y1419 WeakPolarHBondContact O-CE1 3.05Å; Q670-Y1419 VanDerWaalsContact CA-CE1 3.47Å; Q670-Y1419 HydrophobicContact CB-CD1 4.25Å; Q670-Y1419 HydrophobicContact CB-CD2 4.4Å; Q670-Y1419 HydrophobicContact CB-CG 4.04Å; Q670-Y1419 HydrophobicContact CG-CD1 4.29Å; Q670-Y1419 HydrophobicContact CG-CD2 3.58Å; Q670-Y1419 HydrophobicContact CG-CE2 3.9Å; Q670-Y1419 HydrophobicContact CG-CG 3.72Å; Q670-Y1419 VanDerWaalsContact O-CE1 3.27Å; Q670-Y1419 WeakPolarHBondContact O-CE1 3.4Å; Q670-Y1419 WeakPolarHBondContact O-CE2 3.38Å; Q670-Y1419 PolarHBondContact O-OH 3.23Å; R673-Y1419 HydrophobicContact CB-CD1 3.62Å; R673-Y1419 HydrophobicContact CB-CE1 3.62Å; R673-Y1419 HydrophobicContact CG-CD1 4.29Å; R673-Y1419 VanDerWaalsContact CZ-CA 3.41Å; R673-Y1419 VanDerWaalsContact NH2-CA 3.33Å; R673-Y1419 PolarHBondContact NH2-O 2.82Å; R673-Y1419 WeakPolarHBondContact O-CE1 3.44Å; F1417-Y1419 VanDerWaalsContact C-N 3.28Å; F1417-Y1419 HydrophobicContact CB-CD2 4.01Å; F1417-Y1419 HydrophobicContact CB-CE2 4.1Å; F1417-Y1419 AromaticContact CD1-CE2 3.83Å; F1417-Y1419 HydrophobicContact CD1-CE2 3.83Å; F1417-Y1419 AromaticContact CD1-CZ 3.75Å; F1417-Y1419 HydrophobicContact CD2-CE2 4.37Å; F1417-Y1419 HydrophobicContact CG-CE2 4.41Å; F1417-Y1419 WeakPolarHBondContact O-CD2 3.4Å; F1417-Y1419 PolarHBondContact O-N 3.17Å; Y1419-S1434 VanDerWaalsContact CB-OG 3.31Å; Y1419-S1434 WeakPolarHBondContact CB-OG 3.3Å; Y1419-T1439 VanDerWaalsContact O-CG2 3.3Å; Y1419-T1439 WeakPolarHBondContact O-CG2 3.24Å; Y1419-T1439 PolarHBondContact O-OG1 3.24Å |
| 1420 | C | 66.7 | Low | 60.1 | Low | 32 Ų | 32 | 84 Ų | 84 | 22% | 0.216 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 136.8 | 170.7 | -72.7 | 0 | 0 | 0 | 0 | 109.9 | A669 Q670 Q695 A1418 E1422 C1432 | A669-C1420 HydrophobicContact CB-CB 3.74Å; A669-C1420 WeakPolarHBondContact CB-SG 3.3Å; Q670-C1420 PolarHBondContact OE1-O 3.03Å; Q695-C1420 PolarHBondContact NE2-SG 3.37Å; A1418-C1420 PolarHBondContact O-N 3.29Å; C1420-E1422 PolarHBondContact O-N 3.11Å; C1420-C1432 VanDerWaalsContact CA-SG 3.52Å; C1420-C1432 WeakPolarHBondContact CA-SG 3.09Å; C1420-C1432 HydrophobicContact CB-CB 3.69Å; C1420-C1432 WeakPolarHBondContact CB-SG 3.32Å; C1420-C1432 VanDerWaalsContact SG-C 3.54Å; C1420-C1432 WeakPolarHBondContact SG-CB 3.39Å; C1420-C1432 PolarHBondContact SG-O 3.11Å; C1420-C1432 VanDerWaalsContact SG-O 3.37Å; C1420-C1432 CovalentContact SG-SG 2.04Å; C1420-C1432 PolarHBondContact SG-SG 2.88Å |
| 1421 | P | 66.9 | Low | 62.1 | Low | 11 Ų | 11 | 80.2 Ų | 80.2 | 7% | 0.071 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 133.6 | -172.9 | 27.7 | -37.4 | 0 | 0 | 0 | 111.6 | D1423 L1426 L1441 K1461 L1462 | P1421-D1423 PolarHBondContact O-N 3.17Å; P1421-D1423 VanDerWaalsContact O-N 3.08Å; P1421-L1426 HydrophobicContact CB-CD1 4.12Å; P1421-L1426 HydrophobicContact CB-CD2 4.22Å; P1421-L1426 HydrophobicContact CG-CB 4.37Å; P1421-L1426 HydrophobicContact CG-CD1 3.99Å; P1421-L1426 HydrophobicContact CG-CD2 3.56Å; P1421-L1426 VanDerWaalsContact CG-CD2 3.47Å; P1421-L1426 HydrophobicContact CG-CG 4.26Å; P1421-L1441 HydrophobicContact CG-CD1 4.39Å; P1421-K1461 HydrophobicContact CB-CB 4.21Å; P1421-L1462 HydrophobicContact CB-CD2 4.12Å; P1421-L1462 HydrophobicContact CB-CG 4.17Å; P1421-L1462 HydrophobicContact CG-CD2 3.78Å; P1421-L1462 VanDerWaalsContact CG-CD2 3.45Å; P1421-L1462 HydrophobicContact CG-CG 4.48Å |
| 1422 | E | 66.3 | Low | 63.8 | Low | 130 Ų | 130 | 76.4 Ų | 76.4 | 61% | 0.607 | 39% | 0.394 | S | S | * | . | trans | -80.5 | 3.9 | -176.6 | -70.5 | -155.8 | 134.6 | 0 | 0 | 114.8 | S643 S644 Q670 C1420 D1424 K1427 | S643-E1422 VanDerWaalsContact C-OE2 3.3Å; S643-E1422 WeakPolarHBondContact CA-OE2 3.43Å; S644-E1422 WeakPolarHBondContact CA-OE1 3.33Å; S644-E1422 WeakPolarHBondContact CA-OE2 3.46Å; S644-E1422 VanDerWaalsContact CB-OE2 3.3Å; S644-E1422 WeakPolarHBondContact CB-OE2 3.39Å; S644-E1422 VanDerWaalsContact N-CD 3.29Å; S644-E1422 PolarHBondContact N-OE1 3.4Å; S644-E1422 VanDerWaalsContact N-OE1 3.12Å; S644-E1422 PolarHBondContact N-OE2 3.16Å; S644-E1422 PolarHBondContact OG-OE2 2.81Å; Q670-E1422 WeakPolarHBondContact CB-OE1 3.26Å; C1420-E1422 PolarHBondContact O-N 3.11Å; E1422-D1424 PolarHBondContact O-N 3.23Å; E1422-K1427 VanDerWaalsContact C-CE 3.48Å; E1422-K1427 VanDerWaalsContact O-CE 3.31Å; E1422-K1427 WeakPolarHBondContact O-CE 3.44Å; E1422-K1427 PolarHBondContact O-NZ 3.07Å; E1422-K1427 VanDerWaalsContact O-NZ 3.09Å; E1422-K1427 IonicContact OE1-NZ 3.61Å; E1422-K1427 PolarHBondContact OE1-NZ 3.19Å | ||
| 1423 | D | 73 | Confident | 65.3 | Low | 32.6 Ų | 32.6 | 74.4 Ų | 74.4 | 17% | 0.174 | 38% | 0.382 | C | S | . | . | trans | -70.5 | 120.4 | -178.1 | -162.6 | -82.1 | 0 | 0 | 0 | 112 | P1421 R1425 L1426 K1427 N1458 K1461 | P1421-D1423 PolarHBondContact O-N 3.17Å; P1421-D1423 VanDerWaalsContact O-N 3.08Å; D1423-R1425 VanDerWaalsContact C-N 3.28Å; D1423-R1425 PolarHBondContact O-N 3.17Å; D1423-R1425 VanDerWaalsContact O-N 3.15Å; D1423-R1425 VanDerWaalsContact OD1-CB 3.24Å; D1423-R1425 WeakPolarHBondContact OD1-CB 3.4Å; D1423-R1425 WeakPolarHBondContact OD1-CG 3.31Å; D1423-R1425 IonicContact OD1-CZ 3.93Å; D1423-R1425 PolarHBondContact OD1-N 2.94Å; D1423-R1425 IonicContact OD1-NE 3.02Å; D1423-R1425 PolarHBondContact OD1-NE 3.4Å; D1423-R1425 VanDerWaalsContact OD1-NE 3.15Å; D1423-R1425 IonicContact OD1-NH2 3.49Å; D1423-R1425 IonicContact OD2-CZ 2.72Å; D1423-R1425 IonicContact OD2-NE 3.78Å; D1423-R1425 PolarHBondContact OD2-NE 2.95Å; D1423-R1425 IonicContact OD2-NH2 3.93Å; D1423-R1425 PolarHBondContact OD2-NH2 3.16Å; D1423-L1426 HydrophobicContact CB-CB 4.24Å; D1423-L1426 CarbonylContact O-C 3.51Å; D1423-L1426 WeakPolarHBondContact O-CA 3.31Å; D1423-L1426 WeakPolarHBondContact O-CB 3.17Å; D1423-L1426 PolarHBondContact O-N 3.19Å; D1423-L1426 VanDerWaalsContact O-N 3.11Å; D1423-K1427 WeakPolarHBondContact O-CG 3.35Å; D1423-K1427 PolarHBondContact O-N 3.07Å; D1423-N1458 VanDerWaalsContact CB-CG 3.46Å; D1423-N1458 VanDerWaalsContact CB-ND2 3.3Å; D1423-N1458 WeakPolarHBondContact CB-ND2 3.32Å; D1423-N1458 VanDerWaalsContact CB-OD1 3.24Å; D1423-N1458 WeakPolarHBondContact CB-OD1 3.34Å; D1423-N1458 VanDerWaalsContact CG-OD1 3.22Å; D1423-N1458 PolarHBondContact OD1-ND2 3.24Å; D1423-N1458 VanDerWaalsContact OD1-ND2 3.13Å; D1423-N1458 PolarHBondContact OD2-ND2 3.34Å; D1423-N1458 PolarHBondContact OD2-OD1 3.23Å; D1423-K1461 HydrophobicContact CB-CD 4.46Å; D1423-K1461 IonicContact OD2-NZ 2.92Å; D1423-K1461 PolarHBondContact OD2-NZ 3.24Å | ||
| 1424 | D | 71.5 | Confident | 66.3 | Low | 119.8 Ų | 119.8 | 72 Ų | 72 | 64% | 0.641 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.9 | -28.1 | -173.8 | -60 | -44 | 0 | 0 | 0 | 113.3 | E1422 L1426 K1427 S1428 | E1422-D1424 PolarHBondContact O-N 3.23Å; D1424-L1426 VanDerWaalsContact C-N 3.31Å; D1424-L1426 PolarHBondContact O-N 2.98Å; D1424-K1427 IonicContact OD1-NZ 3.29Å; D1424-K1427 PolarHBondContact OD1-NZ 3.25Å; D1424-S1428 VanDerWaalsContact O-CB 3.32Å; D1424-S1428 WeakPolarHBondContact O-CB 3.39Å; D1424-S1428 PolarHBondContact O-N 2.93Å; D1424-S1428 VanDerWaalsContact O-N 3.14Å; D1424-S1428 PolarHBondContact O-OG 2.89Å |
| 1425 | R | 76.7 | Confident | 66.9 | Low | 123 Ų | 123 | 66.8 Ų | 66.8 | 46% | 0.464 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 172 | -60.5 | 176.5 | 28.2 | -173.1 | 1.5 | 110.1 | D1423 S1428 M1429 V1454 D1457 | D1423-R1425 VanDerWaalsContact C-N 3.28Å; D1423-R1425 PolarHBondContact O-N 3.17Å; D1423-R1425 VanDerWaalsContact O-N 3.15Å; D1423-R1425 VanDerWaalsContact OD1-CB 3.24Å; D1423-R1425 WeakPolarHBondContact OD1-CB 3.4Å; D1423-R1425 WeakPolarHBondContact OD1-CG 3.31Å; D1423-R1425 IonicContact OD1-CZ 3.93Å; D1423-R1425 PolarHBondContact OD1-N 2.94Å; D1423-R1425 IonicContact OD1-NE 3.02Å; D1423-R1425 PolarHBondContact OD1-NE 3.4Å; D1423-R1425 VanDerWaalsContact OD1-NE 3.15Å; D1423-R1425 IonicContact OD1-NH2 3.49Å; D1423-R1425 IonicContact OD2-CZ 2.72Å; D1423-R1425 IonicContact OD2-NE 3.78Å; D1423-R1425 PolarHBondContact OD2-NE 2.95Å; D1423-R1425 IonicContact OD2-NH2 3.93Å; D1423-R1425 PolarHBondContact OD2-NH2 3.16Å; R1425-S1428 WeakPolarHBondContact CA-OG 3.19Å; R1425-S1428 PolarHBondContact O-N 3.27Å; R1425-S1428 PolarHBondContact O-OG 3.24Å; R1425-M1429 VanDerWaalsContact O-CG 3.29Å; R1425-M1429 WeakPolarHBondContact O-CG 3.31Å; R1425-M1429 PolarHBondContact O-N 2.98Å; R1425-V1454 HydrophobicContact CB-CG1 4.04Å; R1425-V1454 HydrophobicContact CB-CG2 4Å; R1425-V1454 VanDerWaalsContact NH2-CG2 3.32Å; R1425-D1457 IonicContact CZ-OD2 3.3Å; R1425-D1457 VanDerWaalsContact CZ-OD2 3.27Å; R1425-D1457 IonicContact NH1-OD2 3.14Å; R1425-D1457 PolarHBondContact NH1-OD2 2.89Å; R1425-D1457 IonicContact NH2-OD2 3.09Å; R1425-D1457 PolarHBondContact NH2-OD2 3.04Å |
| 1426 | L | 78 | Confident | 67.6 | Low | 2.4 Ų | 2.4 | 63.6 Ų | 63.6 | 1% | 0.013 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -72 | -40.9 | -177.7 | -157.3 | 119.8 | 0 | 0 | 0 | 111.7 | P1421 D1423 D1424 S1428 M1429 C1430 L1441 V1454 L1455 N1458 L1462 | P1421-L1426 HydrophobicContact CB-CD1 4.12Å; P1421-L1426 HydrophobicContact CB-CD2 4.22Å; P1421-L1426 HydrophobicContact CG-CB 4.37Å; P1421-L1426 HydrophobicContact CG-CD1 3.99Å; P1421-L1426 HydrophobicContact CG-CD2 3.56Å; P1421-L1426 VanDerWaalsContact CG-CD2 3.47Å; P1421-L1426 HydrophobicContact CG-CG 4.26Å; D1423-L1426 HydrophobicContact CB-CB 4.24Å; D1423-L1426 CarbonylContact O-C 3.51Å; D1423-L1426 WeakPolarHBondContact O-CA 3.31Å; D1423-L1426 WeakPolarHBondContact O-CB 3.17Å; D1423-L1426 PolarHBondContact O-N 3.19Å; D1423-L1426 VanDerWaalsContact O-N 3.11Å; D1424-L1426 VanDerWaalsContact C-N 3.31Å; D1424-L1426 PolarHBondContact O-N 2.98Å; L1426-S1428 VanDerWaalsContact C-N 3.26Å; L1426-S1428 PolarHBondContact O-N 3.02Å; L1426-M1429 PolarHBondContact O-N 3Å; L1426-M1429 VanDerWaalsContact O-N 3.12Å; L1426-C1430 HydrophobicContact CD1-CB 4.12Å; L1426-C1430 WeakPolarHBondContact CD1-SG 3.37Å; L1426-C1430 HydrophobicContact CD2-CB 4.1Å; L1426-C1430 HydrophobicContact CG-CB 4.43Å; L1426-C1430 WeakPolarHBondContact O-CB 3.45Å; L1426-C1430 PolarHBondContact O-N 2.89Å; L1426-L1441 HydrophobicContact CD2-CD1 4.01Å; L1426-L1441 HydrophobicContact CD2-CD2 4.19Å; L1426-V1454 HydrophobicContact CB-CG1 4.17Å; L1426-V1454 HydrophobicContact CD1-CG1 4.23Å; L1426-V1454 HydrophobicContact CG-CG1 4.25Å; L1426-L1455 HydrophobicContact CD1-CD2 3.86Å; L1426-L1455 HydrophobicContact CD1-CG 4.27Å; L1426-L1455 HydrophobicContact CD2-CD2 4.3Å; L1426-L1455 HydrophobicContact CG-CD2 4.1Å; L1426-N1458 HydrophobicContact CD1-CB 3.66Å; L1426-N1458 HydrophobicContact CD2-CB 4.1Å; L1426-L1462 HydrophobicContact CD1-CD1 4.39Å; L1426-L1462 HydrophobicContact CD1-CD2 4.07Å; L1426-L1462 HydrophobicContact CD1-CG 4.46Å; L1426-L1462 HydrophobicContact CD2-CD2 4.13Å |
| 1427 | K | 77.6 | Confident | 68.3 | Low | 97.4 Ų | 97.4 | 64.8 Ų | 64.8 | 42% | 0.423 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.3 | -29.4 | 170.5 | -68.9 | 170.7 | -179 | 151.7 | 0 | 113.2 | T641 E1422 D1423 D1424 M1429 | T641-K1427 WeakPolarHBondContact OG1-CE 3.36Å; T641-K1427 PolarHBondContact OG1-NZ 2.91Å; E1422-K1427 VanDerWaalsContact C-CE 3.48Å; E1422-K1427 VanDerWaalsContact O-CE 3.31Å; E1422-K1427 WeakPolarHBondContact O-CE 3.44Å; E1422-K1427 PolarHBondContact O-NZ 3.07Å; E1422-K1427 VanDerWaalsContact O-NZ 3.09Å; E1422-K1427 IonicContact OE1-NZ 3.61Å; E1422-K1427 PolarHBondContact OE1-NZ 3.19Å; D1423-K1427 WeakPolarHBondContact O-CG 3.35Å; D1423-K1427 PolarHBondContact O-N 3.07Å; D1424-K1427 IonicContact OD1-NZ 3.29Å; D1424-K1427 PolarHBondContact OD1-NZ 3.25Å; K1427-M1429 VanDerWaalsContact C-N 3.28Å; K1427-M1429 PolarHBondContact O-N 2.85Å |
| 1428 | S | 78.6 | Confident | 69.4 | Low | 96 Ų | 96 | 61.6 Ų | 61.6 | 67% | 0.671 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -8.3 | 176.9 | 75.8 | 0 | 0 | 0 | 0 | 114.4 | D1424 R1425 L1426 | D1424-S1428 VanDerWaalsContact O-CB 3.32Å; D1424-S1428 WeakPolarHBondContact O-CB 3.39Å; D1424-S1428 PolarHBondContact O-N 2.93Å; D1424-S1428 VanDerWaalsContact O-N 3.14Å; D1424-S1428 PolarHBondContact O-OG 2.89Å; R1425-S1428 WeakPolarHBondContact CA-OG 3.19Å; R1425-S1428 PolarHBondContact O-N 3.27Å; R1425-S1428 PolarHBondContact O-OG 3.24Å; L1426-S1428 VanDerWaalsContact C-N 3.26Å; L1426-S1428 PolarHBondContact O-N 3.02Å |
| 1429 | M | 79.6 | Confident | 70.6 | Confident | 56 Ų | 56 | 59.7 Ų | 59.7 | 28% | 0.276 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | -15.8 | -173.6 | -62.9 | 176.7 | 83.9 | 0 | 0 | 113.9 | R1425 L1426 K1427 P1450 T1451 V1454 | R1425-M1429 VanDerWaalsContact O-CG 3.29Å; R1425-M1429 WeakPolarHBondContact O-CG 3.31Å; R1425-M1429 PolarHBondContact O-N 2.98Å; L1426-M1429 PolarHBondContact O-N 3Å; L1426-M1429 VanDerWaalsContact O-N 3.12Å; K1427-M1429 VanDerWaalsContact C-N 3.28Å; K1427-M1429 PolarHBondContact O-N 2.85Å; M1429-P1450 HydrophobicContact CE-CB 4.07Å; M1429-T1451 HydrophobicContact CB-CG2 4.18Å; M1429-T1451 HydrophobicContact CE-CG2 4.31Å; M1429-T1451 VanDerWaalsContact CE-OG1 3.27Å; M1429-T1451 WeakPolarHBondContact CE-OG1 3.39Å; M1429-V1454 HydrophobicContact SD-CB 4.21Å; M1429-V1454 HydrophobicContact SD-CG1 4.26Å; M1429-V1454 HydrophobicContact SD-CG2 4.05Å |
| 1430 | C | 86.3 | Confident | 72 | Confident | 12.4 Ų | 12.4 | 54.3 Ų | 54.3 | 8% | 0.084 | 29% | 0.293 | C | S | . | . | trans | -144.3 | 139.8 | -177 | -50.2 | 0 | 0 | 0 | 0 | 112.1 | Q666 L1426 L1441 D1442 C1443 | Q666-C1430 PolarHBondContact NE2-O 2.8Å; L1426-C1430 HydrophobicContact CD1-CB 4.12Å; L1426-C1430 WeakPolarHBondContact CD1-SG 3.37Å; L1426-C1430 HydrophobicContact CD2-CB 4.1Å; L1426-C1430 HydrophobicContact CG-CB 4.43Å; L1426-C1430 WeakPolarHBondContact O-CB 3.45Å; L1426-C1430 PolarHBondContact O-N 2.89Å; C1430-L1441 HydrophobicContact CB-CD1 3.67Å; C1430-L1441 VanDerWaalsContact CB-CD1 3.45Å; C1430-L1441 HydrophobicContact CB-CG 4.19Å; C1430-D1442 CarbonylContact C-O 3.42Å; C1430-D1442 VanDerWaalsContact CA-O 3.3Å; C1430-D1442 WeakPolarHBondContact CA-O 3.39Å; C1430-C1443 HydrophobicContact CB-CB 3.91Å; C1430-C1443 WeakPolarHBondContact CB-SG 3.37Å; C1430-C1443 WeakPolarHBondContact SG-CB 3.36Å; C1430-C1443 CovalentContact SG-SG 2.03Å; C1430-C1443 PolarHBondContact SG-SG 2.92Å | ||
| 1431 | N | 85.7 | Confident | 73 | Confident | 64.2 Ų | 64.2 | 52.9 Ų | 52.9 | 34% | 0.343 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 139.7 | 166 | -170.3 | 34.8 | 0 | 0 | 0 | 110.7 | T665 Q666 E689 E1433 D1442 | T665-N1431 WeakPolarHBondContact CB-OD1 3.46Å; T665-N1431 VanDerWaalsContact O-CG 3.25Å; T665-N1431 PolarHBondContact O-ND2 3.08Å; T665-N1431 PolarHBondContact O-OD1 2.82Å; T665-N1431 PolarHBondContact OG1-OD1 2.8Å; Q666-N1431 WeakPolarHBondContact CG-OD1 3.48Å; E689-N1431 PolarHBondContact N-ND2 2.79Å; E689-N1431 WeakPolarHBondContact OE2-CB 3.48Å; N1431-E1433 VanDerWaalsContact ND2-CG 3.27Å; N1431-E1433 WeakPolarHBondContact ND2-CG 3.27Å; N1431-E1433 PolarHBondContact ND2-OE1 3.32Å; N1431-D1442 HydrophobicContact CB-CB 4.39Å; N1431-D1442 PolarHBondContact N-O 2.78Å; N1431-D1442 WeakPolarHBondContact O-CA 3.47Å; N1431-D1442 VanDerWaalsContact O-CB 3.27Å; N1431-D1442 WeakPolarHBondContact O-CB 3.43Å; N1431-D1442 PolarHBondContact O-N 3.05Å |
| 1432 | C | 83.6 | Confident | 74.2 | Confident | 23.2 Ų | 23.2 | 53.6 Ų | 53.6 | 16% | 0.157 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 120.1 | -179.3 | 179.1 | 0 | 0 | 0 | 0 | 111.5 | Q666 Q695 C1420 T1439 I1440 L1441 | Q666-C1432 WeakPolarHBondContact CB-O 3.42Å; Q666-C1432 HydrophobicContact CG-CB 4.31Å; Q666-C1432 VanDerWaalsContact CG-N 3.34Å; Q666-C1432 VanDerWaalsContact CG-O 3.27Å; Q666-C1432 WeakPolarHBondContact CG-O 3.22Å; Q666-C1432 VanDerWaalsContact NE2-N 3.15Å; Q695-C1432 PolarHBondContact NE2-SG 3.42Å; C1420-C1432 VanDerWaalsContact CA-SG 3.52Å; C1420-C1432 WeakPolarHBondContact CA-SG 3.09Å; C1420-C1432 HydrophobicContact CB-CB 3.69Å; C1420-C1432 WeakPolarHBondContact CB-SG 3.32Å; C1420-C1432 VanDerWaalsContact SG-C 3.54Å; C1420-C1432 WeakPolarHBondContact SG-CB 3.39Å; C1420-C1432 PolarHBondContact SG-O 3.11Å; C1420-C1432 VanDerWaalsContact SG-O 3.37Å; C1420-C1432 CovalentContact SG-SG 2.04Å; C1420-C1432 PolarHBondContact SG-SG 2.88Å; C1432-T1439 WeakPolarHBondContact SG-CG2 3.43Å; C1432-I1440 VanDerWaalsContact CA-O 3.31Å; C1432-I1440 WeakPolarHBondContact CA-O 3.36Å; C1432-I1440 PolarHBondContact SG-O 3.08Å; C1432-L1441 HydrophobicContact CB-CD1 3.78Å |
| 1433 | E | 76.4 | Confident | 75.4 | Confident | 51.8 Ų | 51.8 | 47.5 Ų | 47.5 | 24% | 0.242 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 126.2 | -178.7 | -61 | 160.6 | -173.9 | 0 | 0 | 110.4 | V667 I688 S690 P692 Q695 R1283 N1431 A1435 T1439 I1440 | V667-E1433 HydrophobicContact CG2-CB 4.45Å; I688-E1433 HydrophobicContact CG2-CB 4.09Å; I688-E1433 HydrophobicContact CG2-CG 3.93Å; S690-E1433 VanDerWaalsContact C-CD 3.41Å; S690-E1433 WeakPolarHBondContact CA-OE1 3.47Å; S690-E1433 WeakPolarHBondContact CB-OE1 3.48Å; S690-E1433 VanDerWaalsContact CB-OE2 3.31Å; S690-E1433 WeakPolarHBondContact CB-OE2 3.4Å; S690-E1433 PolarHBondContact N-OE1 3.08Å; S690-E1433 WeakPolarHBondContact O-CB 3.47Å; S690-E1433 WeakPolarHBondContact O-CG 3.41Å; S690-E1433 PolarHBondContact OG-OE1 2.78Å; S690-E1433 PolarHBondContact OG-OE2 2.74Å; P692-E1433 VanDerWaalsContact CB-OE2 3.32Å; P692-E1433 WeakPolarHBondContact CB-OE2 3.41Å; P692-E1433 WeakPolarHBondContact CD-OE2 3.2Å; P692-E1433 HydrophobicContact CG-CB 3.91Å; P692-E1433 WeakPolarHBondContact CG-OE2 3.44Å; Q695-E1433 WeakPolarHBondContact CB-O 3.42Å; Q695-E1433 VanDerWaalsContact CD-O 3.26Å; Q695-E1433 PolarHBondContact NE2-O 3.11Å; R1283-E1433 IonicContact CZ-OE1 3.23Å; R1283-E1433 IonicContact CZ-OE2 3.47Å; R1283-E1433 IonicContact NE-OE2 3.14Å; R1283-E1433 IonicContact NH1-OE1 2.65Å; R1283-E1433 PolarHBondContact NH1-OE1 2.86Å; R1283-E1433 IonicContact NH1-OE2 2.65Å; R1283-E1433 PolarHBondContact NH1-OE2 2.78Å; R1283-E1433 IonicContact NH2-OE1 3.91Å; R1283-E1433 PolarHBondContact NH2-OE1 2.63Å; R1283-E1433 IonicContact NH2-OE2 3.23Å; R1283-E1433 PolarHBondContact NH2-OE2 2.96Å; N1431-E1433 VanDerWaalsContact ND2-CG 3.27Å; N1431-E1433 WeakPolarHBondContact ND2-CG 3.27Å; N1431-E1433 PolarHBondContact ND2-OE1 3.32Å; E1433-A1435 PolarHBondContact O-N 3.39Å; E1433-T1439 WeakPolarHBondContact O-CA 3.4Å; E1433-I1440 HydrophobicContact CB-CB 4.26Å; E1433-I1440 HydrophobicContact CB-CG2 4.45Å; E1433-I1440 PolarHBondContact N-O 3.12Å; E1433-I1440 PolarHBondContact O-N 3.4Å; E1433-I1440 VanDerWaalsContact O-N 3.1Å |
| 1434 | S | 63.3 | Low | 76.1 | Confident | 36.2 Ų | 36.2 | 47.3 Ų | 47.3 | 25% | 0.253 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 112.2 | 177.8 | -150.2 | 0 | 0 | 0 | 0 | 114.5 | V667 L691 Q695 F696 A1418 Y1419 N1438 T1439 | V667-S1434 VanDerWaalsContact CB-CB 3.43Å; V667-S1434 WeakPolarHBondContact CB-OG 3.48Å; V667-S1434 WeakPolarHBondContact CG1-OG 3.48Å; L691-S1434 WeakPolarHBondContact CD2-O 3.42Å; Q695-S1434 VanDerWaalsContact C-CB 3.4Å; Q695-S1434 VanDerWaalsContact C-OG 3.31Å; Q695-S1434 PolarHBondContact O-OG 2.87Å; F696-S1434 WeakPolarHBondContact CD2-O 3.15Å; F696-S1434 VanDerWaalsContact CE2-O 3.31Å; F696-S1434 WeakPolarHBondContact CE2-O 3.38Å; F696-S1434 VanDerWaalsContact CG-CB 3.49Å; F696-S1434 VanDerWaalsContact N-C 3.29Å; A1418-S1434 VanDerWaalsContact O-CB 3.27Å; A1418-S1434 WeakPolarHBondContact O-CB 3.39Å; A1418-S1434 PolarHBondContact O-OG 3.13Å; Y1419-S1434 VanDerWaalsContact CB-OG 3.31Å; Y1419-S1434 WeakPolarHBondContact CB-OG 3.3Å; S1434-N1438 WeakPolarHBondContact CA-O 3.11Å; S1434-T1439 PolarHBondContact OG-OG1 2.73Å |
| 1435 | A | 51.4 | Low | 76.9 | Confident | 30.6 Ų | 30.6 | 46.7 Ų | 46.7 | 25% | 0.253 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 131 | 160.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | P692 L694 F696 M697 A719 F720 E1433 H1437 N1438 | P692-A1435 PolarHBondContact O-N 3.25Å; L694-A1435 VanDerWaalsContact C-C 3.43Å; F696-A1435 CarbonylContact C-O 3.48Å; F696-A1435 VanDerWaalsContact CA-C 3.42Å; F696-A1435 HydrophobicContact CD2-CB 4.07Å; F696-A1435 WeakPolarHBondContact O-CB 3.47Å; M697-A1435 WeakPolarHBondContact CA-O 3.31Å; M697-A1435 WeakPolarHBondContact CB-O 3.27Å; M697-A1435 WeakPolarHBondContact CG-O 3.14Å; M697-A1435 PolarHBondContact N-O 3.5Å; A719-A1435 HydrophobicContact CB-CB 3.93Å; A719-A1435 CarbonylContact O-C 3.03Å; A719-A1435 WeakPolarHBondContact O-CA 3.45Å; A719-A1435 WeakPolarHBondContact O-CB 3.44Å; F720-A1435 WeakPolarHBondContact CA-O 3.19Å; F720-A1435 HydrophobicContact CB-CB 4.08Å; F720-A1435 HydrophobicContact CD1-CB 3.13Å; F720-A1435 HydrophobicContact CD2-CB 4.26Å; F720-A1435 HydrophobicContact CE1-CB 3.55Å; F720-A1435 HydrophobicContact CG-CB 3.54Å; F720-A1435 HydrophobicContact CZ-CB 4.28Å; E1433-A1435 PolarHBondContact O-N 3.39Å; A1435-H1437 PolarHBondContact O-N 3.22Å; A1435-H1437 VanDerWaalsContact O-N 3.12Å; A1435-N1438 WeakPolarHBondContact CA-O 3.33Å; A1435-N1438 HydrophobicContact CB-CB 3.99Å; A1435-N1438 WeakPolarHBondContact CB-ND2 3.37Å; A1435-N1438 WeakPolarHBondContact CB-O 3.34Å; A1435-N1438 PolarHBondContact N-O 3.16Å; A1435-N1438 CarbonylContact O-C 3.23Å; A1435-N1438 PolarHBondContact O-N 2.99Å |
| 1436 | A | 51.9 | Low | 77.3 | Confident | 50 Ų | 50 | 41.7 Ų | 41.7 | 41% | 0.413 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 5.3 | 6.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | R673 L694 Q695 F696 M697 F1417 | R673-A1436 HydrophobicContact CB-CB 4.03Å; R673-A1436 HydrophobicContact CG-CB 3.47Å; R673-A1436 VanDerWaalsContact CG-CB 3.47Å; L694-A1436 CarbonylContact O-C 3.54Å; L694-A1436 WeakPolarHBondContact O-CA 3.2Å; L694-A1436 PolarHBondContact O-N 3.04Å; Q695-A1436 VanDerWaalsContact C-CA 3.49Å; Q695-A1436 VanDerWaalsContact C-CB 3.42Å; F696-A1436 VanDerWaalsContact CA-N 3.3Å; F696-A1436 HydrophobicContact CB-CB 4.42Å; M697-A1436 VanDerWaalsContact CE-C 3.4Å; M697-A1436 WeakPolarHBondContact CE-O 3.49Å; M697-A1436 WeakPolarHBondContact CG-O 3.1Å; F1417-A1436 HydrophobicContact CD1-CB 3.55Å; F1417-A1436 HydrophobicContact CE1-CB 3.98Å |
| 1437 | H | 54 | Low | 77.5 | Confident | 114.2 Ų | 114.2 | 44.2 Ų | 44.2 | 53% | 0.529 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144.7 | -21.3 | 162.6 | -62.4 | -58.4 | 0 | 0 | 0 | 114.2 | R673 L694 M697 L1291 S1416 A1418 A1435 T1439 | R673-H1437 PolarHBondContact NH1-O 3.08Å; L694-H1437 HydrophobicContact CD1-CB 4.2Å; L694-H1437 HydrophobicContact CG-CB 4.12Å; L694-H1437 VanDerWaalsContact CG-N 3.28Å; L694-H1437 CarbonylContact O-C 3.12Å; L694-H1437 WeakPolarHBondContact O-CA 3.46Å; L694-H1437 PolarHBondContact O-N 3.48Å; M697-H1437 HydrophobicContact CE-CB 4.03Å; M697-H1437 VanDerWaalsContact CE-CD2 3.4Å; M697-H1437 WeakPolarHBondContact CE-CD2 3.19Å; M697-H1437 VanDerWaalsContact CE-CG 3.44Å; L1291-H1437 HydrophobicContact CD1-CB 4.19Å; L1291-H1437 HydrophobicContact CD2-CB 3.58Å; L1291-H1437 VanDerWaalsContact CD2-CG 3.42Å; S1416-H1437 PolarHBondContact O-CE1 2.76Å; S1416-H1437 VanDerWaalsContact O-CE1 3.32Å; S1416-H1437 PolarHBondContact O-ND1 3.21Å; S1416-H1437 VanDerWaalsContact O-ND1 3.1Å; A1418-H1437 CarbonylContact C-O 3.17Å; A1418-H1437 VanDerWaalsContact CA-O 3.28Å; A1418-H1437 WeakPolarHBondContact CA-O 3.42Å; A1418-H1437 WeakPolarHBondContact CB-O 3.27Å; A1418-H1437 PolarHBondContact N-O 3.03Å; A1435-H1437 PolarHBondContact O-N 3.22Å; A1435-H1437 VanDerWaalsContact O-N 3.12Å; H1437-T1439 PolarHBondContact O-N 3.3Å |
| 1438 | N | 64.7 | Low | 77.7 | Confident | 39 Ų | 39 | 39.7 Ų | 39.7 | 21% | 0.209 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 106.1 | -170.6 | -49.4 | -25.8 | 0 | 0 | 0 | 112.6 | N693 L694 Q695 F1279 M1287 S1434 A1435 I1440 L1464 M1466 | N693-N1438 VanDerWaalsContact O-O 3.12Å; L694-N1438 CarbonylContact C-O 3.6Å; L694-N1438 WeakPolarHBondContact CA-O 3.37Å; L694-N1438 HydrophobicContact CD1-CB 3.96Å; L694-N1438 CarbonylContact O-C 3.56Å; L694-N1438 PolarHBondContact O-N 2.8Å; Q695-N1438 WeakPolarHBondContact CG-O 3.39Å; F1279-N1438 HydrophobicContact CE1-CB 3.99Å; M1287-N1438 HydrophobicContact SD-CB 3.6Å; M1287-N1438 PolarHBondContact SD-OD1 3.02Å; S1434-N1438 WeakPolarHBondContact CA-O 3.11Å; A1435-N1438 WeakPolarHBondContact CA-O 3.33Å; A1435-N1438 HydrophobicContact CB-CB 3.99Å; A1435-N1438 WeakPolarHBondContact CB-ND2 3.37Å; A1435-N1438 WeakPolarHBondContact CB-O 3.34Å; A1435-N1438 PolarHBondContact N-O 3.16Å; A1435-N1438 CarbonylContact O-C 3.23Å; A1435-N1438 PolarHBondContact O-N 2.99Å; N1438-I1440 PolarHBondContact O-N 2.99Å; N1438-I1440 VanDerWaalsContact O-N 3.09Å; N1438-L1464 CarbonylContact C-O 3.52Å; N1438-L1464 WeakPolarHBondContact CA-O 3.49Å; N1438-L1464 HydrophobicContact CB-CB 4.13Å; N1438-L1464 HydrophobicContact CB-CD2 4.06Å; N1438-L1464 HydrophobicContact CB-CG 3.88Å; N1438-L1464 VanDerWaalsContact CB-O 3.3Å; N1438-L1464 WeakPolarHBondContact CB-O 3.15Å; N1438-L1464 WeakPolarHBondContact ND2-CD2 3.06Å; N1438-M1466 VanDerWaalsContact CA-CG 3.43Å; N1438-M1466 WeakPolarHBondContact CA-SD 3.18Å; N1438-M1466 HydrophobicContact CB-CB 3.9Å; N1438-M1466 HydrophobicContact CB-CE 3.59Å; N1438-M1466 HydrophobicContact CB-CG 3.96Å; N1438-M1466 HydrophobicContact CB-SD 3.76Å; N1438-M1466 WeakPolarHBondContact CB-SD 3.16Å; N1438-M1466 VanDerWaalsContact ND2-CE 3.33Å; N1438-M1466 WeakPolarHBondContact ND2-CE 3.24Å |
| 1439 | T | 74 | Confident | 78 | Confident | 6.4 Ų | 6.4 | 37.5 Ų | 37.5 | 4% | 0.039 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 117.4 | -176.7 | -51.2 | 0 | 0 | 0 | 0 | 112.6 | R673 Q695 A1418 Y1419 C1432 E1433 S1434 H1437 L1464 L1465 M1466 E1467 | R673-T1439 PolarHBondContact NH1-OG1 2.76Å; R673-T1439 PolarHBondContact NH2-OG1 3.39Å; Q695-T1439 HydrophobicContact CG-CG2 4.34Å; A1418-T1439 VanDerWaalsContact CB-OG1 3.23Å; A1418-T1439 WeakPolarHBondContact CB-OG1 3.29Å; A1418-T1439 PolarHBondContact O-OG1 3.06Å; Y1419-T1439 VanDerWaalsContact O-CG2 3.3Å; Y1419-T1439 WeakPolarHBondContact O-CG2 3.24Å; Y1419-T1439 PolarHBondContact O-OG1 3.24Å; C1432-T1439 WeakPolarHBondContact SG-CG2 3.43Å; E1433-T1439 WeakPolarHBondContact O-CA 3.4Å; S1434-T1439 PolarHBondContact OG-OG1 2.73Å; H1437-T1439 PolarHBondContact O-N 3.3Å; T1439-L1464 PolarHBondContact N-O 3.15Å; T1439-L1464 PolarHBondContact OG1-O 3.4Å; T1439-L1464 VanDerWaalsContact OG1-O 3.09Å; T1439-L1465 HydrophobicContact CG2-CD2 3.71Å; T1439-L1465 CarbonylContact O-C 3.35Å; T1439-L1465 VanDerWaalsContact O-C 3.27Å; T1439-L1465 WeakPolarHBondContact O-CA 3.44Å; T1439-L1465 VanDerWaalsContact O-CB 3.22Å; T1439-L1465 WeakPolarHBondContact O-CB 3.18Å; T1439-L1465 WeakPolarHBondContact O-CD2 3.16Å; T1439-M1466 VanDerWaalsContact N-N 3.14Å; T1439-M1466 PolarHBondContact O-N 3.22Å; T1439-E1467 PolarHBondContact O-N 3.17Å |
| 1440 | I | 85.4 | Confident | 78.3 | Confident | 13 Ų | 13 | 38.1 Ų | 38.1 | 7% | 0.067 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 126.9 | 168.5 | -59.3 | -172.3 | 0 | 0 | 0 | 107.9 | P692 N693 Q695 L716 C1432 E1433 N1438 E1467 | P692-I1440 HydrophobicContact CB-CB 3.46Å; P692-I1440 VanDerWaalsContact CB-CB 3.46Å; P692-I1440 HydrophobicContact CB-CD1 3.46Å; P692-I1440 VanDerWaalsContact CB-CD1 3.46Å; P692-I1440 HydrophobicContact CB-CG1 3.49Å; P692-I1440 VanDerWaalsContact CB-CG1 3.49Å; P692-I1440 HydrophobicContact CB-CG2 3.63Å; P692-I1440 HydrophobicContact CG-CB 3.69Å; P692-I1440 HydrophobicContact CG-CD1 4.48Å; P692-I1440 HydrophobicContact CG-CG1 3.99Å; P692-I1440 HydrophobicContact CG-CG2 4.17Å; N693-I1440 HydrophobicContact CB-CD1 3.63Å; N693-I1440 HydrophobicContact CB-CG1 3.88Å; N693-I1440 VanDerWaalsContact O-CG1 3.27Å; N693-I1440 WeakPolarHBondContact O-CG1 2.86Å; Q695-I1440 PolarHBondContact NE2-O 3.05Å; Q695-I1440 VanDerWaalsContact OE1-CA 3.24Å; Q695-I1440 PolarHBondContact OE1-O 2.7Å; L716-I1440 HydrophobicContact CD1-CD1 3.35Å; C1432-I1440 VanDerWaalsContact CA-O 3.31Å; C1432-I1440 WeakPolarHBondContact CA-O 3.36Å; C1432-I1440 PolarHBondContact SG-O 3.08Å; E1433-I1440 HydrophobicContact CB-CB 4.26Å; E1433-I1440 HydrophobicContact CB-CG2 4.45Å; E1433-I1440 PolarHBondContact N-O 3.12Å; E1433-I1440 PolarHBondContact O-N 3.4Å; E1433-I1440 VanDerWaalsContact O-N 3.1Å; N1438-I1440 PolarHBondContact O-N 2.99Å; N1438-I1440 VanDerWaalsContact O-N 3.09Å; I1440-E1467 CarbonylContact C-O 3.27Å; I1440-E1467 VanDerWaalsContact CA-O 3.26Å; I1440-E1467 WeakPolarHBondContact CA-O 3.26Å; I1440-E1467 HydrophobicContact CB-CB 4.17Å; I1440-E1467 HydrophobicContact CD1-CB 3.07Å; I1440-E1467 HydrophobicContact CD1-CG 3.74Å; I1440-E1467 WeakPolarHBondContact CD1-OE2 3.5Å; I1440-E1467 HydrophobicContact CG1-CB 3.96Å; I1440-E1467 HydrophobicContact CG1-CG 4.37Å; I1440-E1467 HydrophobicContact CG2-CB 4.04Å; I1440-E1467 HydrophobicContact CG2-CG 4.23Å |
| 1441 | L | 88.9 | Confident | 78.4 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 112.4 | 176.5 | -173.6 | 62 | 0 | 0 | 0 | 109 | P1421 L1426 C1430 C1432 C1443 L1455 L1462 L1465 E1467 L1468 R1469 | P1421-L1441 HydrophobicContact CG-CD1 4.39Å; L1426-L1441 HydrophobicContact CD2-CD1 4.01Å; L1426-L1441 HydrophobicContact CD2-CD2 4.19Å; C1430-L1441 HydrophobicContact CB-CD1 3.67Å; C1430-L1441 VanDerWaalsContact CB-CD1 3.45Å; C1430-L1441 HydrophobicContact CB-CG 4.19Å; C1432-L1441 HydrophobicContact CB-CD1 3.78Å; L1441-C1443 PolarHBondContact O-N 2.87Å; L1441-L1455 HydrophobicContact CD2-CD2 3.5Å; L1441-L1455 VanDerWaalsContact CD2-CD2 3.47Å; L1441-L1462 HydrophobicContact CD2-CD2 3.67Å; L1441-L1462 VanDerWaalsContact CD2-CD2 3.49Å; L1441-L1465 HydrophobicContact CB-CD1 4.34Å; L1441-L1465 HydrophobicContact CB-CD2 4.21Å; L1441-L1465 HydrophobicContact CD2-CD1 3.97Å; L1441-L1465 HydrophobicContact CD2-CD2 4.37Å; L1441-E1467 PolarHBondContact N-O 3.04Å; L1441-L1468 HydrophobicContact CB-CD1 4.21Å; L1441-L1468 HydrophobicContact CD2-CD1 4.12Å; L1441-L1468 HydrophobicContact CG-CD1 4.2Å; L1441-L1468 CarbonylContact O-C 3.52Å; L1441-L1468 VanDerWaalsContact O-CA 3.29Å; L1441-L1468 WeakPolarHBondContact O-CA 3.37Å; L1441-R1469 PolarHBondContact O-N 2.87Å |
| 1442 | D | 90.9 | Very high | 78.5 | Confident | 27.4 Ų | 27.4 | 34.5 Ų | 34.5 | 15% | 0.147 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 95.1 | -176.3 | -158.7 | -23.9 | 0 | 0 | 0 | 110.4 | C1430 N1431 S1444 R1469 | C1430-D1442 CarbonylContact C-O 3.42Å; C1430-D1442 VanDerWaalsContact CA-O 3.3Å; C1430-D1442 WeakPolarHBondContact CA-O 3.39Å; N1431-D1442 HydrophobicContact CB-CB 4.39Å; N1431-D1442 PolarHBondContact N-O 2.78Å; N1431-D1442 WeakPolarHBondContact O-CA 3.47Å; N1431-D1442 VanDerWaalsContact O-CB 3.27Å; N1431-D1442 WeakPolarHBondContact O-CB 3.43Å; N1431-D1442 PolarHBondContact O-N 3.05Å; D1442-S1444 PolarHBondContact O-N 3.43Å; D1442-S1444 VanDerWaalsContact OD1-CB 3.29Å; D1442-S1444 WeakPolarHBondContact OD1-CB 3.32Å; D1442-S1444 PolarHBondContact OD1-N 3.09Å; D1442-S1444 VanDerWaalsContact OD1-N 3.17Å; D1442-S1444 PolarHBondContact OD1-OG 2.93Å; D1442-R1469 HydrophobicContact CB-CB 4.24Å; D1442-R1469 VanDerWaalsContact OD1-CB 3.3Å; D1442-R1469 WeakPolarHBondContact OD1-CB 3.39Å; D1442-R1469 WeakPolarHBondContact OD2-CD 3.28Å; D1442-R1469 IonicContact OD2-CZ 3.22Å; D1442-R1469 IonicContact OD2-NE 3.22Å; D1442-R1469 IonicContact OD2-NH1 2.98Å; D1442-R1469 PolarHBondContact OD2-NH1 3Å |
| 1443 | C | 90.8 | Very high | 78.7 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -101.2 | 36.6 | 177.3 | -55.1 | 0 | 0 | 0 | 0 | 111 | C1430 L1441 C1446 T1451 R1469 L1470 C1473 | C1430-C1443 HydrophobicContact CB-CB 3.91Å; C1430-C1443 WeakPolarHBondContact CB-SG 3.37Å; C1430-C1443 WeakPolarHBondContact SG-CB 3.36Å; C1430-C1443 CovalentContact SG-SG 2.03Å; C1430-C1443 PolarHBondContact SG-SG 2.92Å; L1441-C1443 PolarHBondContact O-N 2.87Å; C1443-C1446 VanDerWaalsContact O-CB 3.25Å; C1443-C1446 WeakPolarHBondContact O-CB 3.22Å; C1443-C1446 PolarHBondContact O-SG 2.97Å; C1443-T1451 HydrophobicContact CB-CG2 3.89Å; C1443-R1469 CarbonylContact C-O 3.45Å; C1443-R1469 WeakPolarHBondContact CA-O 3.4Å; C1443-R1469 VanDerWaalsContact CB-O 3.29Å; C1443-R1469 WeakPolarHBondContact CB-O 3.26Å; C1443-R1469 PolarHBondContact N-O 2.95Å; C1443-L1470 HydrophobicContact CB-CD2 3.6Å; C1443-L1470 VanDerWaalsContact CB-CD2 3.42Å; C1443-L1470 HydrophobicContact CB-CG 4.31Å; C1443-L1470 WeakPolarHBondContact O-CA 3.21Å; C1443-C1473 PolarHBondContact O-SG 2.88Å | ||
| 1444 | S | 88.3 | Confident | 79.1 | Confident | 28.4 Ų | 28.4 | 34.8 Ų | 34.8 | 20% | 0.199 | 21% | 0.21 | C | C | . | . | trans | -72.3 | 163.4 | -179.6 | -56.2 | 0 | 0 | 0 | 0 | 112.8 | D1442 C1446 R1471 | D1442-S1444 PolarHBondContact O-N 3.43Å; D1442-S1444 VanDerWaalsContact OD1-CB 3.29Å; D1442-S1444 WeakPolarHBondContact OD1-CB 3.32Å; D1442-S1444 PolarHBondContact OD1-N 3.09Å; D1442-S1444 VanDerWaalsContact OD1-N 3.17Å; D1442-S1444 PolarHBondContact OD1-OG 2.93Å; S1444-C1446 VanDerWaalsContact C-N 3.28Å; S1444-C1446 PolarHBondContact O-N 2.88Å; S1444-C1446 VanDerWaalsContact O-N 3.13Å; S1444-R1471 CarbonylContact C-O 3.43Å; S1444-R1471 VanDerWaalsContact CA-O 3.27Å; S1444-R1471 WeakPolarHBondContact CA-O 3.34Å; S1444-R1471 WeakPolarHBondContact CB-O 3.41Å; S1444-R1471 VanDerWaalsContact OG-CB 3.29Å; S1444-R1471 WeakPolarHBondContact OG-CB 3.44Å; S1444-R1471 PolarHBondContact OG-N 2.92Å | ||
| 1445 | D | 88.1 | Confident | 80.3 | Confident | 108.8 Ų | 108.8 | 33.1 Ų | 33.1 | 58% | 0.582 | 20% | 0.198 | S | C | * | . | S | Bend | trans | 57.3 | 32.9 | -177.5 | -60.8 | -53 | 0 | 0 | 0 | 114 | R1471 N1472 | D1445-R1471 PolarHBondContact N-O 3.19Å; D1445-N1472 WeakPolarHBondContact OD1-CB 3.19Å; D1445-N1472 PolarHBondContact OD1-ND2 2.91Å |
| 1446 | C | 84.9 | Confident | 82 | Confident | 16.4 Ų | 16.4 | 34.3 Ų | 34.3 | 11% | 0.111 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -101.8 | 166.8 | -167 | 82.3 | 0 | 0 | 0 | 0 | 115.5 | C1443 S1444 G1448 T1451 C1473 | C1443-C1446 VanDerWaalsContact O-CB 3.25Å; C1443-C1446 WeakPolarHBondContact O-CB 3.22Å; C1443-C1446 PolarHBondContact O-SG 2.97Å; S1444-C1446 VanDerWaalsContact C-N 3.28Å; S1444-C1446 PolarHBondContact O-N 2.88Å; S1444-C1446 VanDerWaalsContact O-N 3.13Å; C1446-G1448 PolarHBondContact O-N 2.67Å; C1446-G1448 VanDerWaalsContact O-N 3.14Å; C1446-T1451 HydrophobicContact CB-CG2 4.27Å; C1446-T1451 WeakPolarHBondContact CB-OG1 3.38Å; C1446-T1451 PolarHBondContact SG-OG1 2.98Å; C1446-T1451 VanDerWaalsContact SG-OG1 3.37Å; C1446-C1473 HydrophobicContact CB-CB 4.3Å; C1446-C1473 WeakPolarHBondContact CB-SG 3.23Å; C1446-C1473 PolarHBondContact N-SG 3.15Å; C1446-C1473 VanDerWaalsContact N-SG 3.41Å; C1446-C1473 CarbonylContact O-C 3.25Å; C1446-C1473 VanDerWaalsContact O-C 3.26Å; C1446-C1473 WeakPolarHBondContact O-CA 3.28Å; C1446-C1473 VanDerWaalsContact O-O 3.1Å; C1446-C1473 WeakPolarHBondContact SG-CB 3.3Å; C1446-C1473 CovalentContact SG-SG 2.05Å; C1446-C1473 PolarHBondContact SG-SG 3.14Å |
| 1447 | A | 83.1 | Confident | 83.5 | Confident | 55 Ų | 55 | 37.1 Ų | 37.1 | 46% | 0.455 | 21% | 0.206 | S | C | . | . | trans | -78.8 | 95.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109 | Q1449 P1450 T1451 | A1447-Q1449 PolarHBondContact O-N 3.01Å; A1447-P1450 HydrophobicContact CB-CB 4.37Å; A1447-P1450 HydrophobicContact CB-CG 4.14Å; A1447-P1450 VanDerWaalsContact O-CD 3.3Å; A1447-P1450 WeakPolarHBondContact O-CD 3.36Å; A1447-T1451 WeakPolarHBondContact O-CB 3.24Å; A1447-T1451 PolarHBondContact O-N 3.2Å; A1447-T1451 PolarHBondContact O-OG1 3.07Å | ||
| 1448 | G | 81.2 | Confident | 84.8 | Confident | 3 Ų | 3 | 31.8 Ų | 31.8 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -48.3 | -61.3 | -164 | 0 | 0 | 0 | 0 | 0 | 116.5 | C1446 T1451 I1452 C1473 | C1446-G1448 PolarHBondContact O-N 2.67Å; C1446-G1448 VanDerWaalsContact O-N 3.14Å; G1448-T1451 PolarHBondContact O-N 3.18Å; G1448-I1452 WeakPolarHBondContact O-CG1 3.3Å; G1448-I1452 PolarHBondContact O-N 2.97Å; G1448-C1473 VanDerWaalsContact CA-O 3.27Å; G1448-C1473 WeakPolarHBondContact CA-O 3.3Å; G1448-C1473 PolarHBondContact N-O 3.14Å |
| 1449 | Q | 85.1 | Confident | 85.5 | Confident | 50 Ų | 50 | 36.8 Ų | 36.8 | 23% | 0.234 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.2 | -51.3 | -178.6 | -177.4 | 73.5 | 62.2 | 0 | 0 | 112.6 | A1447 T1451 I1452 D1453 | A1447-Q1449 PolarHBondContact O-N 3.01Å; Q1449-T1451 PolarHBondContact O-N 2.98Å; Q1449-T1451 VanDerWaalsContact O-N 3.17Å; Q1449-I1452 PolarHBondContact O-N 2.99Å; Q1449-I1452 VanDerWaalsContact O-N 3.1Å; Q1449-D1453 PolarHBondContact NE2-OD1 3.01Å; Q1449-D1453 VanDerWaalsContact O-CG 3.26Å; Q1449-D1453 PolarHBondContact O-N 2.93Å |
| 1450 | P | 86.5 | Confident | 85.5 | Confident | 69.2 Ų | 69.2 | 41.4 Ų | 41.4 | 45% | 0.449 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -53.4 | -36.6 | 174.3 | -29.4 | 35.5 | 0 | 0 | 0 | 114.4 | M1429 A1447 D1453 V1454 | M1429-P1450 HydrophobicContact CE-CB 4.07Å; A1447-P1450 HydrophobicContact CB-CB 4.37Å; A1447-P1450 HydrophobicContact CB-CG 4.14Å; A1447-P1450 VanDerWaalsContact O-CD 3.3Å; A1447-P1450 WeakPolarHBondContact O-CD 3.36Å; P1450-D1453 PolarHBondContact O-N 3.12Å; P1450-V1454 WeakPolarHBondContact O-CB 3.2Å; P1450-V1454 WeakPolarHBondContact O-CG2 3.25Å; P1450-V1454 PolarHBondContact O-N 3.25Å; P1450-V1454 VanDerWaalsContact O-N 3.08Å |
| 1451 | T | 87.6 | Confident | 84.8 | Confident | 0.6 Ų | 0.6 | 46 Ų | 46 | 0% | 0.004 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.5 | -45.4 | 177.7 | -51.5 | 0 | 0 | 0 | 0 | 111 | M1429 C1443 C1446 A1447 G1448 Q1449 D1453 V1454 L1455 L1470 | M1429-T1451 HydrophobicContact CB-CG2 4.18Å; M1429-T1451 HydrophobicContact CE-CG2 4.31Å; M1429-T1451 VanDerWaalsContact CE-OG1 3.27Å; M1429-T1451 WeakPolarHBondContact CE-OG1 3.39Å; C1443-T1451 HydrophobicContact CB-CG2 3.89Å; C1446-T1451 HydrophobicContact CB-CG2 4.27Å; C1446-T1451 WeakPolarHBondContact CB-OG1 3.38Å; C1446-T1451 PolarHBondContact SG-OG1 2.98Å; C1446-T1451 VanDerWaalsContact SG-OG1 3.37Å; A1447-T1451 WeakPolarHBondContact O-CB 3.24Å; A1447-T1451 PolarHBondContact O-N 3.2Å; A1447-T1451 PolarHBondContact O-OG1 3.07Å; G1448-T1451 PolarHBondContact O-N 3.18Å; Q1449-T1451 PolarHBondContact O-N 2.98Å; Q1449-T1451 VanDerWaalsContact O-N 3.17Å; T1451-D1453 VanDerWaalsContact C-N 3.31Å; T1451-D1453 PolarHBondContact O-N 3.03Å; T1451-V1454 CarbonylContact O-C 3.08Å; T1451-V1454 WeakPolarHBondContact O-CA 3.39Å; T1451-V1454 WeakPolarHBondContact O-CB 3.33Å; T1451-V1454 PolarHBondContact O-N 3.12Å; T1451-V1454 VanDerWaalsContact O-N 3.1Å; T1451-L1455 HydrophobicContact CG2-CD1 4.3Å; T1451-L1455 WeakPolarHBondContact O-CB 3.41Å; T1451-L1455 VanDerWaalsContact O-CG 3.31Å; T1451-L1455 WeakPolarHBondContact O-CG 3.27Å; T1451-L1455 PolarHBondContact O-N 3.1Å; T1451-L1470 HydrophobicContact CG2-CD2 4.06Å |
| 1452 | I | 88 | Confident | 84 | Confident | 0.2 Ų | 0.2 | 46.4 Ų | 46.4 | 0% | 0.001 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.6 | -36.8 | 176 | -68.7 | 168.6 | 0 | 0 | 0 | 111.5 | G1448 Q1449 V1454 L1455 K1456 L1470 L1475 Q1482 F1483 | G1448-I1452 WeakPolarHBondContact O-CG1 3.3Å; G1448-I1452 PolarHBondContact O-N 2.97Å; Q1449-I1452 PolarHBondContact O-N 2.99Å; Q1449-I1452 VanDerWaalsContact O-N 3.1Å; I1452-V1454 PolarHBondContact O-N 2.54Å; I1452-L1455 HydrophobicContact CG1-CD1 4.38Å; I1452-L1455 WeakPolarHBondContact O-CB 3.34Å; I1452-L1455 PolarHBondContact O-N 3.26Å; I1452-K1456 HydrophobicContact CG2-CD 4.16Å; I1452-K1456 VanDerWaalsContact O-CG 3.29Å; I1452-K1456 WeakPolarHBondContact O-CG 3.37Å; I1452-K1456 PolarHBondContact O-N 3.07Å; I1452-L1470 HydrophobicContact CD1-CD1 4.25Å; I1452-L1470 HydrophobicContact CG1-CD1 4.07Å; I1452-L1470 HydrophobicContact CG1-CD2 4.16Å; I1452-L1475 HydrophobicContact CD1-CD1 4.14Å; I1452-L1475 HydrophobicContact CD1-CD2 3.94Å; I1452-Q1482 HydrophobicContact CD1-CG 4.03Å; I1452-Q1482 VanDerWaalsContact CD1-NE2 3.3Å; I1452-Q1482 HydrophobicContact CG2-CG 4.06Å; I1452-Q1482 WeakPolarHBondContact CG2-O 3.35Å; I1452-F1483 HydrophobicContact CD1-CE1 3.9Å; I1452-F1483 HydrophobicContact CD1-CZ 4.21Å; I1452-F1483 HydrophobicContact CG1-CE1 4.27Å |
| 1453 | D | 87.1 | Confident | 83.2 | Confident | 72 Ų | 72 | 47.1 Ų | 47.1 | 39% | 0.385 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 175.2 | -60.4 | -26.3 | 0 | 0 | 0 | 111 | Q1449 P1450 T1451 L1455 K1456 D1457 | Q1449-D1453 PolarHBondContact NE2-OD1 3.01Å; Q1449-D1453 VanDerWaalsContact O-CG 3.26Å; Q1449-D1453 PolarHBondContact O-N 2.93Å; P1450-D1453 PolarHBondContact O-N 3.12Å; T1451-D1453 VanDerWaalsContact C-N 3.31Å; T1451-D1453 PolarHBondContact O-N 3.03Å; D1453-L1455 VanDerWaalsContact C-N 3.35Å; D1453-L1455 PolarHBondContact O-N 3.26Å; D1453-K1456 PolarHBondContact O-N 3.01Å; D1453-D1457 PolarHBondContact O-N 3.04Å |
| 1454 | V | 86.1 | Confident | 82.6 | Confident | 9.2 Ų | 9.2 | 50.9 Ų | 50.9 | 6% | 0.056 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66 | -34.1 | 174.1 | 171.3 | 0 | 0 | 0 | 0 | 112.8 | R1425 L1426 M1429 P1450 T1451 I1452 N1458 | R1425-V1454 HydrophobicContact CB-CG1 4.04Å; R1425-V1454 HydrophobicContact CB-CG2 4Å; R1425-V1454 VanDerWaalsContact NH2-CG2 3.32Å; L1426-V1454 HydrophobicContact CB-CG1 4.17Å; L1426-V1454 HydrophobicContact CD1-CG1 4.23Å; L1426-V1454 HydrophobicContact CG-CG1 4.25Å; M1429-V1454 HydrophobicContact SD-CB 4.21Å; M1429-V1454 HydrophobicContact SD-CG1 4.26Å; M1429-V1454 HydrophobicContact SD-CG2 4.05Å; P1450-V1454 WeakPolarHBondContact O-CB 3.2Å; P1450-V1454 WeakPolarHBondContact O-CG2 3.25Å; P1450-V1454 PolarHBondContact O-N 3.25Å; P1450-V1454 VanDerWaalsContact O-N 3.08Å; T1451-V1454 CarbonylContact O-C 3.08Å; T1451-V1454 WeakPolarHBondContact O-CA 3.39Å; T1451-V1454 WeakPolarHBondContact O-CB 3.33Å; T1451-V1454 PolarHBondContact O-N 3.12Å; T1451-V1454 VanDerWaalsContact O-N 3.1Å; I1452-V1454 PolarHBondContact O-N 2.54Å; V1454-N1458 WeakPolarHBondContact O-CB 3.41Å; V1454-N1458 PolarHBondContact O-N 3.08Å; V1454-N1458 VanDerWaalsContact O-N 3.16Å; V1454-N1458 PolarHBondContact O-ND2 2.96Å |
| 1455 | L | 88.3 | Confident | 82.3 | Confident | 0.2 Ų | 0.2 | 49.6 Ų | 49.6 | 0% | 0.001 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 171.2 | -70 | 169.8 | 0 | 0 | 0 | 111 | L1426 L1441 T1451 I1452 D1453 D1457 N1458 R1459 L1462 L1468 L1470 L1486 | L1426-L1455 HydrophobicContact CD1-CD2 3.86Å; L1426-L1455 HydrophobicContact CD1-CG 4.27Å; L1426-L1455 HydrophobicContact CD2-CD2 4.3Å; L1426-L1455 HydrophobicContact CG-CD2 4.1Å; L1441-L1455 HydrophobicContact CD2-CD2 3.5Å; L1441-L1455 VanDerWaalsContact CD2-CD2 3.47Å; T1451-L1455 HydrophobicContact CG2-CD1 4.3Å; T1451-L1455 WeakPolarHBondContact O-CB 3.41Å; T1451-L1455 VanDerWaalsContact O-CG 3.31Å; T1451-L1455 WeakPolarHBondContact O-CG 3.27Å; T1451-L1455 PolarHBondContact O-N 3.1Å; I1452-L1455 HydrophobicContact CG1-CD1 4.38Å; I1452-L1455 WeakPolarHBondContact O-CB 3.34Å; I1452-L1455 PolarHBondContact O-N 3.26Å; D1453-L1455 VanDerWaalsContact C-N 3.35Å; D1453-L1455 PolarHBondContact O-N 3.26Å; L1455-D1457 PolarHBondContact O-N 2.95Å; L1455-N1458 CarbonylContact O-C 3.46Å; L1455-N1458 WeakPolarHBondContact O-CA 3.23Å; L1455-N1458 PolarHBondContact O-N 3.11Å; L1455-R1459 PolarHBondContact O-N 3.1Å; L1455-R1459 VanDerWaalsContact O-N 3.07Å; L1455-L1462 HydrophobicContact CB-CD1 4.34Å; L1455-L1462 HydrophobicContact CD2-CD1 4.05Å; L1455-L1462 HydrophobicContact CD2-CD2 4.47Å; L1455-L1462 VanDerWaalsContact O-CD1 3.28Å; L1455-L1462 WeakPolarHBondContact O-CD1 3.36Å; L1455-L1468 HydrophobicContact CD1-CD1 4.02Å; L1455-L1468 HydrophobicContact CD1-CD2 4.15Å; L1455-L1468 HydrophobicContact CD1-CG 4.34Å; L1455-L1468 HydrophobicContact CD2-CD1 4.36Å; L1455-L1470 HydrophobicContact CD1-CD2 4.4Å; L1455-L1486 HydrophobicContact CB-CD1 4.21Å; L1455-L1486 HydrophobicContact CB-CD2 4.43Å; L1455-L1486 HydrophobicContact CD1-CD1 4.16Å |
| 1456 | K | 86.3 | Confident | 82.2 | Confident | 56 Ų | 56 | 45.6 Ų | 45.6 | 24% | 0.243 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.1 | -38.4 | 178.8 | -73 | 174.5 | 124.8 | 165.9 | 0 | 112.9 | I1452 D1453 N1458 R1459 K1481 Q1482 | I1452-K1456 HydrophobicContact CG2-CD 4.16Å; I1452-K1456 VanDerWaalsContact O-CG 3.29Å; I1452-K1456 WeakPolarHBondContact O-CG 3.37Å; I1452-K1456 PolarHBondContact O-N 3.07Å; D1453-K1456 PolarHBondContact O-N 3.01Å; K1456-N1458 PolarHBondContact O-N 3.13Å; K1456-R1459 WeakPolarHBondContact O-CB 3.34Å; K1456-R1459 VanDerWaalsContact O-CD 3.27Å; K1456-R1459 WeakPolarHBondContact O-CD 3.26Å; K1456-R1459 WeakPolarHBondContact O-CG 3.33Å; K1456-R1459 PolarHBondContact O-N 3.13Å; K1456-K1481 VanDerWaalsContact CE-O 3.23Å; K1456-K1481 WeakPolarHBondContact CE-O 3.42Å; K1456-K1481 PolarHBondContact NZ-O 2.92Å; K1456-Q1482 VanDerWaalsContact CD-O 3.27Å; K1456-Q1482 WeakPolarHBondContact CD-O 3.29Å; K1456-Q1482 VanDerWaalsContact CE-O 3.29Å; K1456-Q1482 WeakPolarHBondContact CE-O 3.13Å; K1456-Q1482 PolarHBondContact NZ-O 3.16Å |
| 1457 | D | 84.9 | Confident | 82.5 | Confident | 108.2 Ų | 108.2 | 45 Ų | 45 | 58% | 0.579 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -55.1 | -38.2 | 169.1 | -83.6 | -7.1 | 0 | 0 | 0 | 111.3 | R1425 D1453 L1455 | R1425-D1457 IonicContact CZ-OD2 3.3Å; R1425-D1457 VanDerWaalsContact CZ-OD2 3.27Å; R1425-D1457 IonicContact NH1-OD2 3.14Å; R1425-D1457 PolarHBondContact NH1-OD2 2.89Å; R1425-D1457 IonicContact NH2-OD2 3.09Å; R1425-D1457 PolarHBondContact NH2-OD2 3.04Å; D1453-D1457 PolarHBondContact O-N 3.04Å; L1455-D1457 PolarHBondContact O-N 2.95Å |
| 1458 | N | 79.4 | Confident | 83 | Confident | 3.8 Ų | 3.8 | 42.4 Ų | 42.4 | 2% | 0.02 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 7.3 | -176 | -76.9 | -73.4 | 0 | 0 | 0 | 115.2 | D1423 L1426 V1454 L1455 K1456 A1460 K1461 L1462 | D1423-N1458 VanDerWaalsContact CB-CG 3.46Å; D1423-N1458 VanDerWaalsContact CB-ND2 3.3Å; D1423-N1458 WeakPolarHBondContact CB-ND2 3.32Å; D1423-N1458 VanDerWaalsContact CB-OD1 3.24Å; D1423-N1458 WeakPolarHBondContact CB-OD1 3.34Å; D1423-N1458 VanDerWaalsContact CG-OD1 3.22Å; D1423-N1458 PolarHBondContact OD1-ND2 3.24Å; D1423-N1458 VanDerWaalsContact OD1-ND2 3.13Å; D1423-N1458 PolarHBondContact OD2-ND2 3.34Å; D1423-N1458 PolarHBondContact OD2-OD1 3.23Å; L1426-N1458 HydrophobicContact CD1-CB 3.66Å; L1426-N1458 HydrophobicContact CD2-CB 4.1Å; V1454-N1458 WeakPolarHBondContact O-CB 3.41Å; V1454-N1458 PolarHBondContact O-N 3.08Å; V1454-N1458 VanDerWaalsContact O-N 3.16Å; V1454-N1458 PolarHBondContact O-ND2 2.96Å; L1455-N1458 CarbonylContact O-C 3.46Å; L1455-N1458 WeakPolarHBondContact O-CA 3.23Å; L1455-N1458 PolarHBondContact O-N 3.11Å; K1456-N1458 PolarHBondContact O-N 3.13Å; N1458-A1460 PolarHBondContact O-N 3.02Å; N1458-K1461 WeakPolarHBondContact O-CA 3.12Å; N1458-K1461 WeakPolarHBondContact O-CB 3.23Å; N1458-K1461 PolarHBondContact O-N 3.19Å; N1458-K1461 WeakPolarHBondContact OD1-CD 3.28Å; N1458-K1461 VanDerWaalsContact OD1-CE 3.32Å; N1458-K1461 WeakPolarHBondContact OD1-CE 3.19Å; N1458-K1461 PolarHBondContact OD1-NZ 2.92Å; N1458-L1462 HydrophobicContact CB-CD1 4.29Å; N1458-L1462 HydrophobicContact CB-CG 4.38Å; N1458-L1462 WeakPolarHBondContact O-CG 2.97Å; N1458-L1462 PolarHBondContact O-N 3.26Å |
| 1459 | R | 79.9 | Confident | 83.6 | Confident | 144.8 Ų | 144.8 | 43.2 Ų | 43.2 | 55% | 0.546 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -49.6 | -34.7 | -177.9 | 66.2 | -169.4 | 169.6 | 165.6 | -1.7 | 115 | L1455 K1456 K1461 L1462 G1485 L1486 | L1455-R1459 PolarHBondContact O-N 3.1Å; L1455-R1459 VanDerWaalsContact O-N 3.07Å; K1456-R1459 WeakPolarHBondContact O-CB 3.34Å; K1456-R1459 VanDerWaalsContact O-CD 3.27Å; K1456-R1459 WeakPolarHBondContact O-CD 3.26Å; K1456-R1459 WeakPolarHBondContact O-CG 3.33Å; K1456-R1459 PolarHBondContact O-N 3.13Å; R1459-K1461 VanDerWaalsContact C-N 3.29Å; R1459-K1461 PolarHBondContact O-N 3.06Å; R1459-L1462 PolarHBondContact O-N 3.12Å; R1459-G1485 WeakPolarHBondContact CB-O 3.22Å; R1459-L1486 HydrophobicContact CB-CD2 4.21Å |
| 1460 | A | 74.2 | Confident | 84 | Confident | 101.8 Ų | 101.8 | 40.8 Ų | 40.8 | 84% | 0.841 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -72 | -16.4 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | N1458 | N1458-A1460 PolarHBondContact O-N 3.02Å |
| 1461 | K | 70.3 | Confident | 84.3 | Confident | 110.4 Ų | 110.4 | 40.8 Ų | 40.8 | 48% | 0.48 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -101.9 | -23.7 | 177.7 | -53.9 | 179.7 | -164.9 | 156.3 | 0 | 113 | P1421 D1423 N1458 R1459 G1463 | P1421-K1461 HydrophobicContact CB-CB 4.21Å; D1423-K1461 HydrophobicContact CB-CD 4.46Å; D1423-K1461 IonicContact OD2-NZ 2.92Å; D1423-K1461 PolarHBondContact OD2-NZ 3.24Å; N1458-K1461 WeakPolarHBondContact O-CA 3.12Å; N1458-K1461 WeakPolarHBondContact O-CB 3.23Å; N1458-K1461 PolarHBondContact O-N 3.19Å; N1458-K1461 WeakPolarHBondContact OD1-CD 3.28Å; N1458-K1461 VanDerWaalsContact OD1-CE 3.32Å; N1458-K1461 WeakPolarHBondContact OD1-CE 3.19Å; N1458-K1461 PolarHBondContact OD1-NZ 2.92Å; R1459-K1461 VanDerWaalsContact C-N 3.29Å; R1459-K1461 PolarHBondContact O-N 3.06Å; K1461-G1463 VanDerWaalsContact C-N 3.33Å; K1461-G1463 PolarHBondContact O-N 3.22Å |
| 1462 | L | 72.1 | Confident | 84.5 | Confident | 9.4 Ų | 9.4 | 44.5 Ų | 44.5 | 5% | 0.049 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -74.7 | -29.2 | -170.9 | -77.5 | 167.2 | 0 | 0 | 0 | 114.3 | P1421 L1426 L1441 L1455 N1458 R1459 L1465 L1486 | P1421-L1462 HydrophobicContact CB-CD2 4.12Å; P1421-L1462 HydrophobicContact CB-CG 4.17Å; P1421-L1462 HydrophobicContact CG-CD2 3.78Å; P1421-L1462 VanDerWaalsContact CG-CD2 3.45Å; P1421-L1462 HydrophobicContact CG-CG 4.48Å; L1426-L1462 HydrophobicContact CD1-CD1 4.39Å; L1426-L1462 HydrophobicContact CD1-CD2 4.07Å; L1426-L1462 HydrophobicContact CD1-CG 4.46Å; L1426-L1462 HydrophobicContact CD2-CD2 4.13Å; L1441-L1462 HydrophobicContact CD2-CD2 3.67Å; L1441-L1462 VanDerWaalsContact CD2-CD2 3.49Å; L1455-L1462 HydrophobicContact CB-CD1 4.34Å; L1455-L1462 HydrophobicContact CD2-CD1 4.05Å; L1455-L1462 HydrophobicContact CD2-CD2 4.47Å; L1455-L1462 VanDerWaalsContact O-CD1 3.28Å; L1455-L1462 WeakPolarHBondContact O-CD1 3.36Å; N1458-L1462 HydrophobicContact CB-CD1 4.29Å; N1458-L1462 HydrophobicContact CB-CG 4.38Å; N1458-L1462 WeakPolarHBondContact O-CG 2.97Å; N1458-L1462 PolarHBondContact O-N 3.26Å; R1459-L1462 PolarHBondContact O-N 3.12Å; L1462-L1465 HydrophobicContact CB-CD2 4.28Å; L1462-L1465 HydrophobicContact CB-CG 4.38Å; L1462-L1465 HydrophobicContact CD2-CD1 4.39Å; L1462-L1465 HydrophobicContact CD2-CD2 4.26Å; L1462-L1486 HydrophobicContact CD1-CD2 3.74Å; L1462-L1486 VanDerWaalsContact CD1-CD2 3.47Å |
| 1463 | G | 74.5 | Confident | 84.6 | Confident | 42.6 Ų | 42.6 | 44.5 Ų | 44.5 | 44% | 0.439 | 24% | 0.236 | S | C | . | . | trans | 63.6 | -143.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | K1461 L1465 | K1461-G1463 VanDerWaalsContact C-N 3.33Å; K1461-G1463 PolarHBondContact O-N 3.22Å; G1463-L1465 PolarHBondContact O-N 3.39Å; G1463-L1465 VanDerWaalsContact O-N 3.17Å | ||
| 1464 | L | 78.8 | Confident | 84.7 | Confident | 78.6 Ų | 78.6 | 45.1 Ų | 45.1 | 41% | 0.412 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 109 | 173.7 | -178.6 | 66.7 | 0 | 0 | 0 | 109.3 | N1438 T1439 M1466 F1487 K1489 I1512 | N1438-L1464 CarbonylContact C-O 3.52Å; N1438-L1464 WeakPolarHBondContact CA-O 3.49Å; N1438-L1464 HydrophobicContact CB-CB 4.13Å; N1438-L1464 HydrophobicContact CB-CD2 4.06Å; N1438-L1464 HydrophobicContact CB-CG 3.88Å; N1438-L1464 VanDerWaalsContact CB-O 3.3Å; N1438-L1464 WeakPolarHBondContact CB-O 3.15Å; N1438-L1464 WeakPolarHBondContact ND2-CD2 3.06Å; T1439-L1464 PolarHBondContact N-O 3.15Å; T1439-L1464 PolarHBondContact OG1-O 3.4Å; T1439-L1464 VanDerWaalsContact OG1-O 3.09Å; L1464-M1466 HydrophobicContact CD2-SD 4.28Å; L1464-M1466 HydrophobicContact CG-SD 4.35Å; L1464-F1487 CarbonylContact C-O 3.5Å; L1464-F1487 HydrophobicContact CD1-CB 3.85Å; L1464-F1487 WeakPolarHBondContact CD1-O 3.43Å; L1464-K1489 HydrophobicContact CD1-CD 4.31Å; L1464-K1489 HydrophobicContact CD1-CG 4.1Å; L1464-K1489 HydrophobicContact CD2-CD 4.41Å; L1464-I1512 HydrophobicContact CD1-CG2 4.12Å |
| 1465 | L | 82.3 | Confident | 85 | Confident | 2.2 Ų | 2.2 | 45.1 Ų | 45.1 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 131.6 | 169.4 | -61.1 | -179.1 | 0 | 0 | 0 | 109.5 | T1439 L1441 L1462 G1463 E1467 L1468 F1487 V1488 K1489 | T1439-L1465 HydrophobicContact CG2-CD2 3.71Å; T1439-L1465 CarbonylContact O-C 3.35Å; T1439-L1465 VanDerWaalsContact O-C 3.27Å; T1439-L1465 WeakPolarHBondContact O-CA 3.44Å; T1439-L1465 VanDerWaalsContact O-CB 3.22Å; T1439-L1465 WeakPolarHBondContact O-CB 3.18Å; T1439-L1465 WeakPolarHBondContact O-CD2 3.16Å; L1441-L1465 HydrophobicContact CB-CD1 4.34Å; L1441-L1465 HydrophobicContact CB-CD2 4.21Å; L1441-L1465 HydrophobicContact CD2-CD1 3.97Å; L1441-L1465 HydrophobicContact CD2-CD2 4.37Å; L1462-L1465 HydrophobicContact CB-CD2 4.28Å; L1462-L1465 HydrophobicContact CB-CG 4.38Å; L1462-L1465 HydrophobicContact CD2-CD1 4.39Å; L1462-L1465 HydrophobicContact CD2-CD2 4.26Å; G1463-L1465 PolarHBondContact O-N 3.39Å; G1463-L1465 VanDerWaalsContact O-N 3.17Å; L1465-E1467 VanDerWaalsContact C-N 3.34Å; L1465-L1468 HydrophobicContact CD1-CB 4.33Å; L1465-L1468 HydrophobicContact CD1-CD1 4.37Å; L1465-L1468 HydrophobicContact CD1-CD2 4.49Å; L1465-F1487 CarbonylContact C-O 3.48Å; L1465-F1487 VanDerWaalsContact CA-O 3.29Å; L1465-F1487 WeakPolarHBondContact CA-O 3.45Å; L1465-F1487 WeakPolarHBondContact CB-O 3.49Å; L1465-F1487 PolarHBondContact N-O 3.13Å; L1465-F1487 VanDerWaalsContact O-O 3.09Å; L1465-V1488 HydrophobicContact CB-CB 4.36Å; L1465-V1488 HydrophobicContact CB-CG2 4.21Å; L1465-V1488 HydrophobicContact CD1-CG2 4.22Å; L1465-V1488 HydrophobicContact CG-CG2 4.43Å; L1465-V1488 CarbonylContact O-C 3.42Å; L1465-V1488 WeakPolarHBondContact O-CA 3.22Å; L1465-K1489 PolarHBondContact O-N 3.07Å; L1465-K1489 VanDerWaalsContact O-N 3.11Å |
| 1466 | M | 86.3 | Confident | 85.2 | Confident | 24 Ų | 24 | 48.8 Ų | 48.8 | 12% | 0.118 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -23.5 | 172.4 | -76.4 | -95.6 | -20.4 | 0 | 0 | 112 | N693 L694 F1279 M1287 N1288 N1438 T1439 L1464 K1489 K1490 | N693-M1466 HydrophobicContact CB-CB 4.47Å; L694-M1466 HydrophobicContact CD1-CB 4.29Å; L694-M1466 HydrophobicContact CD1-CE 4.04Å; L694-M1466 HydrophobicContact CD1-CG 4.02Å; L694-M1466 HydrophobicContact CD1-SD 3.14Å; L694-M1466 WeakPolarHBondContact CD1-SD 3.05Å; F1279-M1466 HydrophobicContact CE1-CE 4.16Å; F1279-M1466 HydrophobicContact CZ-CE 3.68Å; M1287-M1466 HydrophobicContact CE-CB 3.57Å; M1287-M1466 HydrophobicContact CE-CE 3.54Å; M1287-M1466 HydrophobicContact CE-CG 4.37Å; M1287-M1466 HydrophobicContact CG-CE 3.75Å; M1287-M1466 HydrophobicContact SD-CB 3.62Å; M1287-M1466 HydrophobicContact SD-CE 3.6Å; M1287-M1466 VanDerWaalsContact SD-CE 3.6Å; M1287-M1466 HydrophobicContact SD-CG 3.89Å; N1288-M1466 WeakPolarHBondContact ND2-CE 3.28Å; N1288-M1466 PolarHBondContact ND2-SD 3.15Å; N1438-M1466 VanDerWaalsContact CA-CG 3.43Å; N1438-M1466 WeakPolarHBondContact CA-SD 3.18Å; N1438-M1466 HydrophobicContact CB-CB 3.9Å; N1438-M1466 HydrophobicContact CB-CE 3.59Å; N1438-M1466 HydrophobicContact CB-CG 3.96Å; N1438-M1466 HydrophobicContact CB-SD 3.76Å; N1438-M1466 WeakPolarHBondContact CB-SD 3.16Å; N1438-M1466 VanDerWaalsContact ND2-CE 3.33Å; N1438-M1466 WeakPolarHBondContact ND2-CE 3.24Å; T1439-M1466 VanDerWaalsContact N-N 3.14Å; T1439-M1466 PolarHBondContact O-N 3.22Å; L1464-M1466 HydrophobicContact CD2-SD 4.28Å; L1464-M1466 HydrophobicContact CG-SD 4.35Å; M1466-K1489 HydrophobicContact CB-CB 4.36Å; M1466-K1489 HydrophobicContact CE-CB 4.05Å; M1466-K1489 HydrophobicContact CE-CD 3.83Å; M1466-K1489 HydrophobicContact CE-CG 4.29Å; M1466-K1489 HydrophobicContact CG-CB 3.81Å; M1466-K1489 HydrophobicContact CG-CD 3.43Å; M1466-K1489 VanDerWaalsContact CG-CD 3.43Å; M1466-K1489 HydrophobicContact CG-CG 3.75Å; M1466-K1489 HydrophobicContact SD-CB 4.33Å; M1466-K1489 HydrophobicContact SD-CD 3.56Å; M1466-K1489 WeakPolarHBondContact SD-CD 3.47Å; M1466-K1489 WeakPolarHBondContact SD-CE 3.32Å; M1466-K1489 HydrophobicContact SD-CG 4.09Å; M1466-K1489 PolarHBondContact SD-NZ 2.84Å; M1466-K1490 VanDerWaalsContact O-CB 3.31Å; M1466-K1490 WeakPolarHBondContact O-CB 3.39Å; M1466-K1490 PolarHBondContact O-N 3.05Å; M1466-K1490 VanDerWaalsContact O-N 3.11Å |
| 1467 | E | 91.3 | Very high | 85.5 | Confident | 4.8 Ų | 4.8 | 50.2 Ų | 50.2 | 2% | 0.022 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 142.3 | 163.9 | -171.5 | 167.4 | 176.5 | 0 | 0 | 110.8 | L716 M1278 T1439 I1440 L1441 L1465 R1469 K1490 D1492 | L716-E1467 VanDerWaalsContact CD1-OE2 3.29Å; L716-E1467 WeakPolarHBondContact CD1-OE2 3.26Å; M1278-E1467 WeakPolarHBondContact CE-OE2 3.48Å; T1439-E1467 PolarHBondContact O-N 3.17Å; I1440-E1467 CarbonylContact C-O 3.27Å; I1440-E1467 VanDerWaalsContact CA-O 3.26Å; I1440-E1467 WeakPolarHBondContact CA-O 3.26Å; I1440-E1467 HydrophobicContact CB-CB 4.17Å; I1440-E1467 HydrophobicContact CD1-CB 3.07Å; I1440-E1467 HydrophobicContact CD1-CG 3.74Å; I1440-E1467 WeakPolarHBondContact CD1-OE2 3.5Å; I1440-E1467 HydrophobicContact CG1-CB 3.96Å; I1440-E1467 HydrophobicContact CG1-CG 4.37Å; I1440-E1467 HydrophobicContact CG2-CB 4.04Å; I1440-E1467 HydrophobicContact CG2-CG 4.23Å; L1441-E1467 PolarHBondContact N-O 3.04Å; L1465-E1467 VanDerWaalsContact C-N 3.34Å; E1467-R1469 VanDerWaalsContact CD-NE 3.3Å; E1467-R1469 HydrophobicContact CG-CG 3.97Å; E1467-R1469 WeakPolarHBondContact OE1-CG 3.47Å; E1467-R1469 IonicContact OE1-CZ 2.7Å; E1467-R1469 IonicContact OE1-NE 3.08Å; E1467-R1469 PolarHBondContact OE1-NE 3.29Å; E1467-R1469 IonicContact OE1-NH2 3.09Å; E1467-R1469 PolarHBondContact OE1-NH2 3Å; E1467-R1469 IonicContact OE2-CZ 3.24Å; E1467-R1469 IonicContact OE2-NE 3.32Å; E1467-R1469 PolarHBondContact OE2-NE 3.1Å; E1467-R1469 IonicContact OE2-NH2 3.05Å; E1467-R1469 PolarHBondContact OE2-NH2 2.99Å; E1467-K1490 CarbonylContact C-O 3.51Å; E1467-K1490 VanDerWaalsContact C-O 3.27Å; E1467-K1490 WeakPolarHBondContact CA-O 3.42Å; E1467-K1490 HydrophobicContact CB-CB 4.15Å; E1467-K1490 HydrophobicContact CB-CD 4.35Å; E1467-K1490 HydrophobicContact CB-CG 4.29Å; E1467-K1490 WeakPolarHBondContact CB-O 3.2Å; E1467-K1490 VanDerWaalsContact CD-NZ 3.33Å; E1467-K1490 HydrophobicContact CG-CB 4.17Å; E1467-K1490 HydrophobicContact CG-CD 4.04Å; E1467-K1490 HydrophobicContact CG-CG 3.99Å; E1467-K1490 VanDerWaalsContact CG-O 3.24Å; E1467-K1490 WeakPolarHBondContact CG-O 3.42Å; E1467-K1490 VanDerWaalsContact OE1-CE 3.24Å; E1467-K1490 WeakPolarHBondContact OE1-CE 3.41Å; E1467-K1490 IonicContact OE1-NZ 2.8Å; E1467-K1490 PolarHBondContact OE1-NZ 3.22Å; E1467-K1490 WeakPolarHBondContact OE2-CD 3.24Å; E1467-K1490 WeakPolarHBondContact OE2-CE 3.44Å; E1467-K1490 VanDerWaalsContact OE2-CG 3.28Å; E1467-K1490 WeakPolarHBondContact OE2-CG 3.16Å; E1467-K1490 IonicContact OE2-NZ 3.38Å; E1467-K1490 PolarHBondContact OE2-NZ 3.21Å; E1467-D1492 HydrophobicContact CG-CB 4.48Å |
| 1468 | L | 92.3 | Very high | 86 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 112.8 | 165.8 | 174.9 | 58.8 | 0 | 0 | 0 | 107.8 | L1441 L1455 L1465 L1470 F1483 L1486 V1488 K1490 L1491 D1492 | L1441-L1468 HydrophobicContact CB-CD1 4.21Å; L1441-L1468 HydrophobicContact CD2-CD1 4.12Å; L1441-L1468 HydrophobicContact CG-CD1 4.2Å; L1441-L1468 CarbonylContact O-C 3.52Å; L1441-L1468 VanDerWaalsContact O-CA 3.29Å; L1441-L1468 WeakPolarHBondContact O-CA 3.37Å; L1455-L1468 HydrophobicContact CD1-CD1 4.02Å; L1455-L1468 HydrophobicContact CD1-CD2 4.15Å; L1455-L1468 HydrophobicContact CD1-CG 4.34Å; L1455-L1468 HydrophobicContact CD2-CD1 4.36Å; L1465-L1468 HydrophobicContact CD1-CB 4.33Å; L1465-L1468 HydrophobicContact CD1-CD1 4.37Å; L1465-L1468 HydrophobicContact CD1-CD2 4.49Å; L1468-L1470 HydrophobicContact CD1-CD1 4.3Å; L1468-L1470 HydrophobicContact CD1-CG 4.32Å; L1468-L1470 HydrophobicContact CD2-CD1 4.02Å; L1468-L1470 HydrophobicContact CG-CD1 4.06Å; L1468-L1470 HydrophobicContact CG-CG 4.3Å; L1468-F1483 HydrophobicContact CD2-CD1 4Å; L1468-F1483 HydrophobicContact CD2-CE1 4.2Å; L1468-L1486 HydrophobicContact CD2-CD1 4.25Å; L1468-V1488 HydrophobicContact CB-CG1 3.87Å; L1468-V1488 HydrophobicContact CB-CG2 4.12Å; L1468-V1488 HydrophobicContact CD2-CG2 4.14Å; L1468-K1490 PolarHBondContact N-O 2.91Å; L1468-L1491 HydrophobicContact CB-CD1 4.19Å; L1468-L1491 HydrophobicContact CD2-CD1 4.03Å; L1468-L1491 HydrophobicContact CG-CD1 4.12Å; L1468-D1492 PolarHBondContact O-N 3.03Å |
| 1469 | R | 94.2 | Very high | 86.6 | Confident | 19.8 Ų | 19.8 | 48.8 Ų | 48.8 | 8% | 0.075 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 134.3 | 172.6 | -50.8 | 179.1 | -173.9 | 134.3 | 7.5 | 109.6 | S690 E714 L716 L1441 D1442 C1443 E1467 R1471 D1492 | S690-R1469 VanDerWaalsContact CB-NH1 3.29Å; S690-R1469 PolarHBondContact OG-NH1 3.32Å; E714-R1469 IonicContact OE2-CZ 2.69Å; E714-R1469 IonicContact OE2-NH2 3.64Å; E714-R1469 PolarHBondContact OE2-NH2 3.05Å; L716-R1469 VanDerWaalsContact CD1-NH2 3.29Å; L1441-R1469 PolarHBondContact O-N 2.87Å; D1442-R1469 HydrophobicContact CB-CB 4.24Å; D1442-R1469 VanDerWaalsContact OD1-CB 3.3Å; D1442-R1469 WeakPolarHBondContact OD1-CB 3.39Å; D1442-R1469 WeakPolarHBondContact OD2-CD 3.28Å; D1442-R1469 IonicContact OD2-CZ 3.22Å; D1442-R1469 IonicContact OD2-NE 3.22Å; D1442-R1469 IonicContact OD2-NH1 2.98Å; D1442-R1469 PolarHBondContact OD2-NH1 3Å; C1443-R1469 CarbonylContact C-O 3.45Å; C1443-R1469 WeakPolarHBondContact CA-O 3.4Å; C1443-R1469 VanDerWaalsContact CB-O 3.29Å; C1443-R1469 WeakPolarHBondContact CB-O 3.26Å; C1443-R1469 PolarHBondContact N-O 2.95Å; E1467-R1469 VanDerWaalsContact CD-NE 3.3Å; E1467-R1469 HydrophobicContact CG-CG 3.97Å; E1467-R1469 WeakPolarHBondContact OE1-CG 3.47Å; E1467-R1469 IonicContact OE1-CZ 2.7Å; E1467-R1469 IonicContact OE1-NE 3.08Å; E1467-R1469 PolarHBondContact OE1-NE 3.29Å; E1467-R1469 IonicContact OE1-NH2 3.09Å; E1467-R1469 PolarHBondContact OE1-NH2 3Å; E1467-R1469 IonicContact OE2-CZ 3.24Å; E1467-R1469 IonicContact OE2-NE 3.32Å; E1467-R1469 PolarHBondContact OE2-NE 3.1Å; E1467-R1469 IonicContact OE2-NH2 3.05Å; E1467-R1469 PolarHBondContact OE2-NH2 2.99Å; R1469-R1471 HydrophobicContact CB-CG 4.41Å; R1469-D1492 CarbonylContact C-O 3.26Å; R1469-D1492 WeakPolarHBondContact CA-O 3.49Å; R1469-D1492 HydrophobicContact CB-CB 4.32Å; R1469-D1492 HydrophobicContact CG-CB 4.06Å |
| 1470 | L | 93.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -139 | 45.1 | 178 | -76.6 | 161.1 | 0 | 0 | 0 | 108 | C1443 T1451 I1452 L1455 L1468 C1473 L1475 F1483 L1491 D1492 L1493 N1496 | C1443-L1470 HydrophobicContact CB-CD2 3.6Å; C1443-L1470 VanDerWaalsContact CB-CD2 3.42Å; C1443-L1470 HydrophobicContact CB-CG 4.31Å; C1443-L1470 WeakPolarHBondContact O-CA 3.21Å; T1451-L1470 HydrophobicContact CG2-CD2 4.06Å; I1452-L1470 HydrophobicContact CD1-CD1 4.25Å; I1452-L1470 HydrophobicContact CG1-CD1 4.07Å; I1452-L1470 HydrophobicContact CG1-CD2 4.16Å; L1455-L1470 HydrophobicContact CD1-CD2 4.4Å; L1468-L1470 HydrophobicContact CD1-CD1 4.3Å; L1468-L1470 HydrophobicContact CD1-CG 4.32Å; L1468-L1470 HydrophobicContact CD2-CD1 4.02Å; L1468-L1470 HydrophobicContact CG-CD1 4.06Å; L1468-L1470 HydrophobicContact CG-CG 4.3Å; L1470-C1473 VanDerWaalsContact C-SG 3.53Å; L1470-C1473 WeakPolarHBondContact O-CB 3.35Å; L1470-C1473 PolarHBondContact O-SG 3.09Å; L1470-L1475 HydrophobicContact CB-CD1 4.38Å; L1470-F1483 HydrophobicContact CD1-CE1 3.88Å; L1470-F1483 HydrophobicContact CD1-CZ 4.4Å; L1470-L1491 HydrophobicContact CD1-CD1 4.48Å; L1470-D1492 CarbonylContact C-O 3.2Å; L1470-D1492 PolarHBondContact N-O 2.95Å; L1470-L1493 HydrophobicContact CB-CD2 3.88Å; L1470-L1493 HydrophobicContact CD1-CD2 4.11Å; L1470-L1493 HydrophobicContact CG-CD2 4.44Å; L1470-N1496 PolarHBondContact O-ND2 3.05Å | ||
| 1471 | R | 92.6 | Very high | 87.8 | Confident | 68.2 Ų | 68.2 | 44.8 Ų | 44.8 | 26% | 0.257 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 148.3 | -175.9 | -60.1 | -175.2 | 179.8 | 174 | 3.1 | 111.2 | E714 S1444 D1445 R1469 C1473 D1492 T1494 | E714-R1471 IonicContact OE2-NH2 3.27Å; S1444-R1471 CarbonylContact C-O 3.43Å; S1444-R1471 VanDerWaalsContact CA-O 3.27Å; S1444-R1471 WeakPolarHBondContact CA-O 3.34Å; S1444-R1471 WeakPolarHBondContact CB-O 3.41Å; S1444-R1471 VanDerWaalsContact OG-CB 3.29Å; S1444-R1471 WeakPolarHBondContact OG-CB 3.44Å; S1444-R1471 PolarHBondContact OG-N 2.92Å; D1445-R1471 PolarHBondContact N-O 3.19Å; R1469-R1471 HydrophobicContact CB-CG 4.41Å; R1471-C1473 PolarHBondContact O-N 3.2Å; R1471-C1473 PolarHBondContact O-SG 2.84Å; R1471-D1492 VanDerWaalsContact CG-OD1 3.23Å; R1471-D1492 WeakPolarHBondContact CG-OD1 3.34Å; R1471-D1492 IonicContact CZ-OD1 3.5Å; R1471-D1492 IonicContact CZ-OD2 3.16Å; R1471-D1492 VanDerWaalsContact CZ-OD2 3.31Å; R1471-D1492 VanDerWaalsContact NE-CG 3.32Å; R1471-D1492 IonicContact NE-OD1 2.72Å; R1471-D1492 PolarHBondContact NE-OD1 2.96Å; R1471-D1492 IonicContact NE-OD2 3.19Å; R1471-D1492 PolarHBondContact NE-OD2 3.21Å; R1471-D1492 IonicContact NH2-OD1 3.33Å; R1471-D1492 PolarHBondContact NH2-OD1 3.05Å; R1471-D1492 IonicContact NH2-OD2 3.03Å; R1471-D1492 PolarHBondContact NH2-OD2 3.18Å; R1471-T1494 CarbonylContact C-O 3.51Å; R1471-T1494 VanDerWaalsContact CA-O 3.26Å; R1471-T1494 WeakPolarHBondContact CA-O 3.33Å; R1471-T1494 VanDerWaalsContact CB-O 3.28Å; R1471-T1494 WeakPolarHBondContact CB-O 3.26Å |
| 1472 | N | 91.3 | Very high | 88.7 | Confident | 78.8 Ų | 78.8 | 39.7 Ų | 39.7 | 42% | 0.421 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 29.4 | 178 | -166.1 | 32.1 | 0 | 0 | 0 | 114.3 | D1445 T1474 T1494 E1495 N1496 | D1445-N1472 WeakPolarHBondContact OD1-CB 3.19Å; D1445-N1472 PolarHBondContact OD1-ND2 2.91Å; N1472-T1474 VanDerWaalsContact C-N 3.3Å; N1472-T1474 PolarHBondContact O-N 2.95Å; N1472-T1494 PolarHBondContact N-O 3.06Å; N1472-T1494 VanDerWaalsContact N-O 3.12Å; N1472-E1495 VanDerWaalsContact CA-O 3.28Å; N1472-E1495 WeakPolarHBondContact CA-O 3.38Å; N1472-E1495 PolarHBondContact N-O 3.22Å; N1472-E1495 VanDerWaalsContact N-O 3.13Å; N1472-N1496 PolarHBondContact N-ND2 3.04Å |
| 1473 | C | 90.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -85.5 | 12.4 | -176.8 | -80.4 | 0 | 0 | 0 | 0 | 114.1 | C1443 C1446 G1448 L1470 R1471 L1475 N1496 | C1443-C1473 PolarHBondContact O-SG 2.88Å; C1446-C1473 HydrophobicContact CB-CB 4.3Å; C1446-C1473 WeakPolarHBondContact CB-SG 3.23Å; C1446-C1473 PolarHBondContact N-SG 3.15Å; C1446-C1473 VanDerWaalsContact N-SG 3.41Å; C1446-C1473 CarbonylContact O-C 3.25Å; C1446-C1473 VanDerWaalsContact O-C 3.26Å; C1446-C1473 WeakPolarHBondContact O-CA 3.28Å; C1446-C1473 VanDerWaalsContact O-O 3.1Å; C1446-C1473 WeakPolarHBondContact SG-CB 3.3Å; C1446-C1473 CovalentContact SG-SG 2.05Å; C1446-C1473 PolarHBondContact SG-SG 3.14Å; G1448-C1473 VanDerWaalsContact CA-O 3.27Å; G1448-C1473 WeakPolarHBondContact CA-O 3.3Å; G1448-C1473 PolarHBondContact N-O 3.14Å; L1470-C1473 VanDerWaalsContact C-SG 3.53Å; L1470-C1473 WeakPolarHBondContact O-CB 3.35Å; L1470-C1473 PolarHBondContact O-SG 3.09Å; R1471-C1473 PolarHBondContact O-N 3.2Å; R1471-C1473 PolarHBondContact O-SG 2.84Å; C1473-L1475 HydrophobicContact CB-CD1 4.41Å; C1473-L1475 HydrophobicContact CB-CG 4.25Å; C1473-L1475 PolarHBondContact O-N 3.12Å; C1473-L1475 VanDerWaalsContact O-N 3.12Å; C1473-N1496 VanDerWaalsContact C-OD1 3.3Å; C1473-N1496 VanDerWaalsContact CA-OD1 3.28Å; C1473-N1496 WeakPolarHBondContact CA-OD1 3.3Å; C1473-N1496 VanDerWaalsContact CB-OD1 3.31Å; C1473-N1496 WeakPolarHBondContact CB-OD1 3.38Å; C1473-N1496 PolarHBondContact N-OD1 3.19Å | ||
| 1474 | T | 89.3 | Confident | 90.3 | Very high | 85.2 Ų | 85.2 | 40.3 Ų | 40.3 | 52% | 0.523 | 20% | 0.201 | S | C | . | . | trans | 53.9 | 23.3 | -176.2 | 64.7 | 0 | 0 | 0 | 0 | 115.2 | N1472 T1476 N1496 L1497 | N1472-T1474 VanDerWaalsContact C-N 3.3Å; N1472-T1474 PolarHBondContact O-N 2.95Å; T1474-T1476 PolarHBondContact O-N 3Å; T1474-N1496 PolarHBondContact N-OD1 3.06Å; T1474-L1497 HydrophobicContact CG2-CD1 4.49Å | ||
| 1475 | L | 92.3 | Very high | 90.5 | Very high | 8.4 Ų | 8.4 | 37.5 Ų | 37.5 | 4% | 0.044 | 19% | 0.191 | C | C | . | . | trans | -64.8 | 122.6 | 176.6 | -68.6 | 168 | 0 | 0 | 0 | 110.1 | I1452 L1470 C1473 L1478 L1493 N1496 L1497 I1498 | I1452-L1475 HydrophobicContact CD1-CD1 4.14Å; I1452-L1475 HydrophobicContact CD1-CD2 3.94Å; L1470-L1475 HydrophobicContact CB-CD1 4.38Å; C1473-L1475 HydrophobicContact CB-CD1 4.41Å; C1473-L1475 HydrophobicContact CB-CG 4.25Å; C1473-L1475 PolarHBondContact O-N 3.12Å; C1473-L1475 VanDerWaalsContact O-N 3.12Å; L1475-L1478 HydrophobicContact CD1-CD2 4.37Å; L1475-L1493 HydrophobicContact CD1-CD2 3.82Å; L1475-N1496 HydrophobicContact CB-CB 4.25Å; L1475-N1496 WeakPolarHBondContact CB-OD1 3.36Å; L1475-N1496 PolarHBondContact N-OD1 3.03Å; L1475-N1496 VanDerWaalsContact N-OD1 3.1Å; L1475-L1497 CarbonylContact O-C 3.38Å; L1475-L1497 VanDerWaalsContact O-CA 3.29Å; L1475-L1497 WeakPolarHBondContact O-CA 3.4Å; L1475-L1497 PolarHBondContact O-N 3.14Å; L1475-I1498 HydrophobicContact CB-CD1 4.39Å; L1475-I1498 HydrophobicContact CB-CG1 3.99Å; L1475-I1498 WeakPolarHBondContact O-CA 3.34Å; L1475-I1498 VanDerWaalsContact O-CG1 3.29Å; L1475-I1498 WeakPolarHBondContact O-CG1 3.36Å; L1475-I1498 PolarHBondContact O-N 3.09Å; L1475-I1498 VanDerWaalsContact O-N 3.08Å | ||
| 1476 | T | 91.9 | Very high | 90.7 | Very high | 78.2 Ų | 78.2 | 37.6 Ų | 37.6 | 48% | 0.48 | 19% | 0.191 | S | C | . | . | trans | -97.7 | -23.6 | 179.5 | 55.1 | 0 | 0 | 0 | 0 | 113.8 | T1474 L1497 I1498 E1499 | T1474-T1476 PolarHBondContact O-N 3Å; T1476-L1497 WeakPolarHBondContact CA-O 3.32Å; T1476-L1497 HydrophobicContact CG2-CB 4.19Å; T1476-I1498 WeakPolarHBondContact O-CA 3.17Å; T1476-E1499 PolarHBondContact O-N 3.11Å | ||
| 1477 | E | 93.7 | Very high | 90.7 | Very high | 84.2 Ų | 84.2 | 41.3 Ų | 41.3 | 39% | 0.393 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 151.1 | -178.3 | 60.1 | 177.6 | -174.2 | 0 | 0 | 110.5 | K1479 T1500 | E1477-K1479 HydrophobicContact CG-CG 4.33Å; E1477-K1479 WeakPolarHBondContact OE1-CE 3.3Å; E1477-K1479 IonicContact OE1-NZ 2.95Å; E1477-T1500 WeakPolarHBondContact CA-O 3.36Å; E1477-T1500 VanDerWaalsContact CB-OG1 3.29Å; E1477-T1500 WeakPolarHBondContact CB-OG1 3.31Å |
| 1478 | L | 94.3 | Very high | 90.7 | Very high | 2.2 Ų | 2.2 | 41.1 Ų | 41.1 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 117 | 167.7 | -58.1 | -180 | 0 | 0 | 0 | 109.9 | L1475 Q1482 F1483 L1493 I1498 T1500 V1501 D1502 A1505 F1506 L1518 | L1475-L1478 HydrophobicContact CD1-CD2 4.37Å; L1478-Q1482 HydrophobicContact CB-CG 4.49Å; L1478-Q1482 HydrophobicContact CD2-CG 4.21Å; L1478-F1483 HydrophobicContact CD1-CE2 4.41Å; L1478-F1483 HydrophobicContact CD2-CE2 4.23Å; L1478-F1483 HydrophobicContact CD2-CZ 4.2Å; L1478-L1493 HydrophobicContact CD1-CD1 3.89Å; L1478-L1493 HydrophobicContact CD2-CD1 4.29Å; L1478-L1493 HydrophobicContact CG-CD1 4.44Å; L1478-I1498 HydrophobicContact CD1-CD1 4.19Å; L1478-I1498 HydrophobicContact CD2-CD1 3.94Å; L1478-I1498 HydrophobicContact CD2-CG1 4.49Å; L1478-I1498 HydrophobicContact CG-CD1 4.03Å; L1478-I1498 HydrophobicContact CG-CG1 4.47Å; L1478-I1498 HydrophobicContact CG-CG2 4.14Å; L1478-T1500 PolarHBondContact N-O 2.98Å; L1478-V1501 HydrophobicContact CB-CB 4.49Å; L1478-V1501 HydrophobicContact CB-CG1 4.21Å; L1478-V1501 HydrophobicContact CB-CG2 4.44Å; L1478-V1501 HydrophobicContact CD1-CG1 4.17Å; L1478-V1501 HydrophobicContact CD1-CG2 4.07Å; L1478-V1501 HydrophobicContact CG-CG2 4.42Å; L1478-D1502 VanDerWaalsContact O-CB 3.26Å; L1478-D1502 WeakPolarHBondContact O-CB 3.23Å; L1478-D1502 PolarHBondContact O-N 3.06Å; L1478-A1505 HydrophobicContact CB-CB 3.83Å; L1478-F1506 HydrophobicContact CD1-CE1 4.08Å; L1478-F1506 HydrophobicContact CD1-CZ 3.8Å; L1478-L1518 HydrophobicContact CD1-CD2 4.4Å |
| 1479 | K | 92.3 | Very high | 90.6 | Very high | 81.8 Ų | 81.8 | 42.8 Ų | 42.8 | 36% | 0.356 | 21% | 0.214 | S | C | . | . | trans | -88.4 | 165.4 | -171.7 | -63.2 | 162.9 | -176.2 | 161.5 | 0 | 112.9 | E1477 K1481 Q1482 A1505 | E1477-K1479 HydrophobicContact CG-CG 4.33Å; E1477-K1479 WeakPolarHBondContact OE1-CE 3.3Å; E1477-K1479 IonicContact OE1-NZ 2.95Å; K1479-K1481 PolarHBondContact O-N 3.14Å; K1479-K1481 VanDerWaalsContact O-N 3.15Å; K1479-Q1482 WeakPolarHBondContact O-CB 3.26Å; K1479-Q1482 PolarHBondContact O-N 3Å; K1479-Q1482 VanDerWaalsContact O-N 3.13Å; K1479-A1505 WeakPolarHBondContact O-CA 3.27Å | ||
| 1480 | E | 91.7 | Very high | 90.7 | Very high | 86.6 Ų | 86.6 | 43.1 Ų | 43.1 | 41% | 0.405 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.2 | 125.9 | 171.6 | 167.3 | 163 | -172.9 | 0 | 0 | 110.4 | Q1482 D1502 K1504 | E1480-Q1482 PolarHBondContact O-N 3.13Å; E1480-Q1482 VanDerWaalsContact O-N 3.16Å; E1480-D1502 VanDerWaalsContact CA-OD1 3.24Å; E1480-D1502 WeakPolarHBondContact CA-OD1 3.36Å; E1480-D1502 WeakPolarHBondContact CB-OD1 3.31Å; E1480-D1502 PolarHBondContact N-OD1 3.18Å; E1480-K1504 HydrophobicContact CB-CB 4.34Å; E1480-K1504 HydrophobicContact CB-CD 4.41Å; E1480-K1504 HydrophobicContact CG-CB 3.98Å; E1480-K1504 HydrophobicContact CG-CD 3.68Å; E1480-K1504 WeakPolarHBondContact OE1-CD 3.22Å; E1480-K1504 IonicContact OE1-NZ 3.22Å; E1480-K1504 PolarHBondContact OE1-NZ 2.91Å; E1480-K1504 WeakPolarHBondContact OE2-CD 3.33Å; E1480-K1504 IonicContact OE2-NZ 3.17Å; E1480-K1504 PolarHBondContact OE2-NZ 3.17Å |
| 1481 | K | 88.8 | Confident | 90.7 | Very high | 74.6 Ų | 74.6 | 43.1 Ų | 43.1 | 32% | 0.324 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 34.9 | 174.7 | -72.2 | 166.1 | -176.5 | 158.3 | 0 | 113.4 | K1456 K1479 F1483 D1484 K1504 D1507 | K1456-K1481 VanDerWaalsContact CE-O 3.23Å; K1456-K1481 WeakPolarHBondContact CE-O 3.42Å; K1456-K1481 PolarHBondContact NZ-O 2.92Å; K1479-K1481 PolarHBondContact O-N 3.14Å; K1479-K1481 VanDerWaalsContact O-N 3.15Å; K1481-F1483 VanDerWaalsContact C-N 3.27Å; K1481-F1483 PolarHBondContact O-N 3.11Å; K1481-F1483 VanDerWaalsContact O-N 3.13Å; K1481-D1484 HydrophobicContact CB-CB 3.65Å; K1481-D1484 HydrophobicContact CD-CB 4.42Å; K1481-D1484 WeakPolarHBondContact CD-OD2 3.26Å; K1481-D1484 HydrophobicContact CG-CB 4.06Å; K1481-D1484 IonicContact NZ-OD2 3.83Å; K1481-D1484 PolarHBondContact NZ-OD2 3.25Å; K1481-D1484 WeakPolarHBondContact O-CB 3.29Å; K1481-D1484 PolarHBondContact O-N 3.16Å; K1481-D1484 VanDerWaalsContact O-N 3.14Å; K1481-K1504 WeakPolarHBondContact CA-O 3.17Å; K1481-K1504 PolarHBondContact N-O 3.25Å; K1481-D1507 WeakPolarHBondContact CE-OD2 2.95Å; K1481-D1507 HydrophobicContact CG-CB 3.69Å |
| 1482 | Q | 89 | Confident | 90.9 | Very high | 4.4 Ų | 4.4 | 39.9 Ų | 39.9 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -36.4 | -179.7 | -170.5 | 82.9 | -9.9 | 0 | 0 | 112.1 | I1452 K1456 L1478 K1479 E1480 A1505 | I1452-Q1482 HydrophobicContact CD1-CG 4.03Å; I1452-Q1482 VanDerWaalsContact CD1-NE2 3.3Å; I1452-Q1482 HydrophobicContact CG2-CG 4.06Å; I1452-Q1482 WeakPolarHBondContact CG2-O 3.35Å; K1456-Q1482 VanDerWaalsContact CD-O 3.27Å; K1456-Q1482 WeakPolarHBondContact CD-O 3.29Å; K1456-Q1482 VanDerWaalsContact CE-O 3.29Å; K1456-Q1482 WeakPolarHBondContact CE-O 3.13Å; K1456-Q1482 PolarHBondContact NZ-O 3.16Å; L1478-Q1482 HydrophobicContact CB-CG 4.49Å; L1478-Q1482 HydrophobicContact CD2-CG 4.21Å; K1479-Q1482 WeakPolarHBondContact O-CB 3.26Å; K1479-Q1482 PolarHBondContact O-N 3Å; K1479-Q1482 VanDerWaalsContact O-N 3.13Å; E1480-Q1482 PolarHBondContact O-N 3.13Å; E1480-Q1482 VanDerWaalsContact O-N 3.16Å; Q1482-A1505 PolarHBondContact N-O 2.86Å |
| 1483 | F | 90.7 | Very high | 91.1 | Very high | 0.4 Ų | 0.4 | 36.1 Ų | 36.1 | 0% | 0.002 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 13.8 | -179.9 | -51.6 | -75.6 | 0 | 0 | 0 | 114.5 | I1452 L1468 L1470 L1478 K1481 G1485 L1486 L1491 L1493 F1506 L1509 | I1452-F1483 HydrophobicContact CD1-CE1 3.9Å; I1452-F1483 HydrophobicContact CD1-CZ 4.21Å; I1452-F1483 HydrophobicContact CG1-CE1 4.27Å; L1468-F1483 HydrophobicContact CD2-CD1 4Å; L1468-F1483 HydrophobicContact CD2-CE1 4.2Å; L1470-F1483 HydrophobicContact CD1-CE1 3.88Å; L1470-F1483 HydrophobicContact CD1-CZ 4.4Å; L1478-F1483 HydrophobicContact CD1-CE2 4.41Å; L1478-F1483 HydrophobicContact CD2-CE2 4.23Å; L1478-F1483 HydrophobicContact CD2-CZ 4.2Å; K1481-F1483 VanDerWaalsContact C-N 3.27Å; K1481-F1483 PolarHBondContact O-N 3.11Å; K1481-F1483 VanDerWaalsContact O-N 3.13Å; F1483-G1485 PolarHBondContact O-N 2.86Å; F1483-L1486 HydrophobicContact CB-CD1 4.41Å; F1483-L1486 HydrophobicContact CD1-CD1 4.31Å; F1483-L1486 VanDerWaalsContact O-CB 3.27Å; F1483-L1486 WeakPolarHBondContact O-CB 3.35Å; F1483-L1486 WeakPolarHBondContact O-CG 3.32Å; F1483-L1486 PolarHBondContact O-N 2.99Å; F1483-L1486 VanDerWaalsContact O-N 3.09Å; F1483-L1491 HydrophobicContact CD1-CD1 4.39Å; F1483-L1491 HydrophobicContact CD2-CD2 3.99Å; F1483-L1491 HydrophobicContact CE1-CD1 4.27Å; F1483-L1491 HydrophobicContact CE1-CD2 4.47Å; F1483-L1491 HydrophobicContact CE2-CD2 3.87Å; F1483-L1491 HydrophobicContact CG-CD2 4.36Å; F1483-L1491 HydrophobicContact CZ-CD1 4.32Å; F1483-L1491 HydrophobicContact CZ-CD2 4.13Å; F1483-L1493 HydrophobicContact CE2-CD1 4.4Å; F1483-L1493 HydrophobicContact CZ-CD1 4.19Å; F1483-L1493 HydrophobicContact CZ-CD2 4.16Å; F1483-F1506 HydrophobicContact CD2-CD1 4.23Å; F1483-F1506 HydrophobicContact CD2-CE1 4.38Å; F1483-F1506 HydrophobicContact CE2-CD1 4.28Å; F1483-F1506 HydrophobicContact CE2-CE1 4.22Å; F1483-L1509 HydrophobicContact CB-CD1 3.62Å; F1483-L1509 HydrophobicContact CB-CG 4.2Å; F1483-L1509 HydrophobicContact CD2-CD1 4.31Å; F1483-L1509 HydrophobicContact CG-CD1 4.13Å |
| 1484 | D | 88.4 | Confident | 91.4 | Very high | 64.8 Ų | 64.8 | 36.9 Ų | 36.9 | 35% | 0.347 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 136.2 | -178 | -179 | 29.7 | 0 | 0 | 0 | 112.6 | K1481 L1486 D1507 | K1481-D1484 HydrophobicContact CB-CB 3.65Å; K1481-D1484 HydrophobicContact CD-CB 4.42Å; K1481-D1484 WeakPolarHBondContact CD-OD2 3.26Å; K1481-D1484 HydrophobicContact CG-CB 4.06Å; K1481-D1484 IonicContact NZ-OD2 3.83Å; K1481-D1484 PolarHBondContact NZ-OD2 3.25Å; K1481-D1484 WeakPolarHBondContact O-CB 3.29Å; K1481-D1484 PolarHBondContact O-N 3.16Å; K1481-D1484 VanDerWaalsContact O-N 3.14Å; D1484-L1486 VanDerWaalsContact C-N 3.29Å; D1484-L1486 PolarHBondContact O-N 2.97Å; D1484-D1507 WeakPolarHBondContact CA-O 2.98Å |
| 1485 | G | 82.5 | Confident | 91.6 | Very high | 19.6 Ų | 19.6 | 37.9 Ų | 37.9 | 20% | 0.202 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | -2.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | R1459 F1483 | R1459-G1485 WeakPolarHBondContact CB-O 3.22Å; F1483-G1485 PolarHBondContact O-N 2.86Å |
| 1486 | L | 87.1 | Confident | 91.6 | Very high | 3.8 Ų | 3.8 | 37.7 Ų | 37.7 | 2% | 0.02 | 19% | 0.186 | C | C | . | . | trans | -92.9 | 140.8 | 166.9 | -54.4 | 179.2 | 0 | 0 | 0 | 109.4 | L1455 R1459 L1462 L1468 F1483 D1484 V1488 L1509 | L1455-L1486 HydrophobicContact CB-CD1 4.21Å; L1455-L1486 HydrophobicContact CB-CD2 4.43Å; L1455-L1486 HydrophobicContact CD1-CD1 4.16Å; R1459-L1486 HydrophobicContact CB-CD2 4.21Å; L1462-L1486 HydrophobicContact CD1-CD2 3.74Å; L1462-L1486 VanDerWaalsContact CD1-CD2 3.47Å; L1468-L1486 HydrophobicContact CD2-CD1 4.25Å; F1483-L1486 HydrophobicContact CB-CD1 4.41Å; F1483-L1486 HydrophobicContact CD1-CD1 4.31Å; F1483-L1486 VanDerWaalsContact O-CB 3.27Å; F1483-L1486 WeakPolarHBondContact O-CB 3.35Å; F1483-L1486 WeakPolarHBondContact O-CG 3.32Å; F1483-L1486 PolarHBondContact O-N 2.99Å; F1483-L1486 VanDerWaalsContact O-N 3.09Å; D1484-L1486 VanDerWaalsContact C-N 3.29Å; D1484-L1486 PolarHBondContact O-N 2.97Å; L1486-V1488 HydrophobicContact CB-CG2 4.16Å; L1486-L1509 VanDerWaalsContact O-CD2 3.26Å; L1486-L1509 WeakPolarHBondContact O-CD2 3.29Å | ||
| 1487 | F | 87.6 | Confident | 91.7 | Very high | 102.4 Ų | 102.4 | 37.5 Ų | 37.5 | 45% | 0.449 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 95.3 | 178.5 | -58.4 | -84.3 | 0 | 0 | 0 | 108.4 | L1464 L1465 I1512 | L1464-F1487 CarbonylContact C-O 3.5Å; L1464-F1487 HydrophobicContact CD1-CB 3.85Å; L1464-F1487 WeakPolarHBondContact CD1-O 3.43Å; L1465-F1487 CarbonylContact C-O 3.48Å; L1465-F1487 VanDerWaalsContact CA-O 3.29Å; L1465-F1487 WeakPolarHBondContact CA-O 3.45Å; L1465-F1487 WeakPolarHBondContact CB-O 3.49Å; L1465-F1487 PolarHBondContact N-O 3.13Å; L1465-F1487 VanDerWaalsContact O-O 3.09Å; F1487-I1512 HydrophobicContact CB-CD1 4.26Å; F1487-I1512 HydrophobicContact CD1-CD1 3.59Å; F1487-I1512 VanDerWaalsContact CD1-CD1 3.47Å; F1487-I1512 HydrophobicContact CE1-CD1 4.35Å; F1487-I1512 HydrophobicContact CG-CD1 4.29Å |
| 1488 | V | 90.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 130.7 | -172.1 | -177.1 | 0 | 0 | 0 | 0 | 110.3 | L1465 L1468 L1486 K1490 L1491 L1509 I1512 L1513 | L1465-V1488 HydrophobicContact CB-CB 4.36Å; L1465-V1488 HydrophobicContact CB-CG2 4.21Å; L1465-V1488 HydrophobicContact CD1-CG2 4.22Å; L1465-V1488 HydrophobicContact CG-CG2 4.43Å; L1465-V1488 CarbonylContact O-C 3.42Å; L1465-V1488 WeakPolarHBondContact O-CA 3.22Å; L1468-V1488 HydrophobicContact CB-CG1 3.87Å; L1468-V1488 HydrophobicContact CB-CG2 4.12Å; L1468-V1488 HydrophobicContact CD2-CG2 4.14Å; L1486-V1488 HydrophobicContact CB-CG2 4.16Å; V1488-K1490 VanDerWaalsContact CG1-C 3.48Å; V1488-K1490 VanDerWaalsContact CG1-O 3.24Å; V1488-K1490 WeakPolarHBondContact CG1-O 3.41Å; V1488-L1491 HydrophobicContact CG1-CB 4.19Å; V1488-L1509 HydrophobicContact CB-CD1 4.33Å; V1488-L1509 HydrophobicContact CB-CD2 3.85Å; V1488-L1509 HydrophobicContact CG2-CD2 4.22Å; V1488-I1512 WeakPolarHBondContact O-CG2 3.5Å; V1488-L1513 HydrophobicContact CB-CD1 4.07Å; V1488-L1513 HydrophobicContact CG1-CD1 4.19Å; V1488-L1513 VanDerWaalsContact O-CA 3.28Å; V1488-L1513 WeakPolarHBondContact O-CA 3.37Å; V1488-L1513 WeakPolarHBondContact O-CD1 3.32Å; V1488-L1513 PolarHBondContact O-N 3.29Å |
| 1489 | K | 91.3 | Very high | 91.8 | Very high | 36.4 Ų | 36.4 | 37.5 Ų | 37.5 | 16% | 0.158 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -30.6 | 172.1 | -55 | -171.5 | 177.9 | 169.6 | 0 | 115.2 | N1288 E1290 L1464 L1465 M1466 I1512 L1513 Q1514 T1515 | N1288-K1489 PolarHBondContact OD1-NZ 3.29Å; E1290-K1489 IonicContact OE1-NZ 3.47Å; E1290-K1489 PolarHBondContact OE1-NZ 3.26Å; E1290-K1489 WeakPolarHBondContact OE2-CE 3.09Å; E1290-K1489 IonicContact OE2-NZ 3.19Å; E1290-K1489 PolarHBondContact OE2-NZ 3.12Å; L1464-K1489 HydrophobicContact CD1-CD 4.31Å; L1464-K1489 HydrophobicContact CD1-CG 4.1Å; L1464-K1489 HydrophobicContact CD2-CD 4.41Å; L1465-K1489 PolarHBondContact O-N 3.07Å; L1465-K1489 VanDerWaalsContact O-N 3.11Å; M1466-K1489 HydrophobicContact CB-CB 4.36Å; M1466-K1489 HydrophobicContact CE-CB 4.05Å; M1466-K1489 HydrophobicContact CE-CD 3.83Å; M1466-K1489 HydrophobicContact CE-CG 4.29Å; M1466-K1489 HydrophobicContact CG-CB 3.81Å; M1466-K1489 HydrophobicContact CG-CD 3.43Å; M1466-K1489 VanDerWaalsContact CG-CD 3.43Å; M1466-K1489 HydrophobicContact CG-CG 3.75Å; M1466-K1489 HydrophobicContact SD-CB 4.33Å; M1466-K1489 HydrophobicContact SD-CD 3.56Å; M1466-K1489 WeakPolarHBondContact SD-CD 3.47Å; M1466-K1489 WeakPolarHBondContact SD-CE 3.32Å; M1466-K1489 HydrophobicContact SD-CG 4.09Å; M1466-K1489 PolarHBondContact SD-NZ 2.84Å; K1489-I1512 HydrophobicContact CB-CG2 4.15Å; K1489-I1512 HydrophobicContact CD-CG2 4.45Å; K1489-I1512 HydrophobicContact CG-CG2 3.98Å; K1489-I1512 WeakPolarHBondContact CG-O 3.36Å; K1489-L1513 WeakPolarHBondContact O-CD1 3.2Å; K1489-Q1514 HydrophobicContact CB-CB 4.4Å; K1489-Q1514 HydrophobicContact CB-CG 4.12Å; K1489-Q1514 VanDerWaalsContact CE-OE1 3.27Å; K1489-Q1514 VanDerWaalsContact NZ-CD 3.27Å; K1489-Q1514 CarbonylContact O-C 3.48Å; K1489-Q1514 VanDerWaalsContact O-CA 3.31Å; K1489-Q1514 WeakPolarHBondContact O-CA 3.28Å; K1489-Q1514 WeakPolarHBondContact O-CB 3.23Å; K1489-Q1514 PolarHBondContact O-N 2.9Å; K1489-T1515 PolarHBondContact O-N 3.02Å; K1489-T1515 VanDerWaalsContact O-N 3.1Å |
| 1490 | K | 94.6 | Very high | 91.8 | Very high | 25.8 Ų | 25.8 | 37.3 Ų | 37.3 | 11% | 0.112 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 117.9 | 168.4 | 176.9 | 173.2 | 174.8 | -134.3 | 0 | 110.4 | M1278 M1466 E1467 L1468 V1488 D1492 T1515 | M1278-K1490 HydrophobicContact CE-CD 4.44Å; M1278-K1490 HydrophobicContact SD-CD 3.82Å; M1278-K1490 PolarHBondContact SD-NZ 3Å; M1466-K1490 VanDerWaalsContact O-CB 3.31Å; M1466-K1490 WeakPolarHBondContact O-CB 3.39Å; M1466-K1490 PolarHBondContact O-N 3.05Å; M1466-K1490 VanDerWaalsContact O-N 3.11Å; E1467-K1490 CarbonylContact C-O 3.51Å; E1467-K1490 VanDerWaalsContact C-O 3.27Å; E1467-K1490 WeakPolarHBondContact CA-O 3.42Å; E1467-K1490 HydrophobicContact CB-CB 4.15Å; E1467-K1490 HydrophobicContact CB-CD 4.35Å; E1467-K1490 HydrophobicContact CB-CG 4.29Å; E1467-K1490 WeakPolarHBondContact CB-O 3.2Å; E1467-K1490 VanDerWaalsContact CD-NZ 3.33Å; E1467-K1490 HydrophobicContact CG-CB 4.17Å; E1467-K1490 HydrophobicContact CG-CD 4.04Å; E1467-K1490 HydrophobicContact CG-CG 3.99Å; E1467-K1490 VanDerWaalsContact CG-O 3.24Å; E1467-K1490 WeakPolarHBondContact CG-O 3.42Å; E1467-K1490 VanDerWaalsContact OE1-CE 3.24Å; E1467-K1490 WeakPolarHBondContact OE1-CE 3.41Å; E1467-K1490 IonicContact OE1-NZ 2.8Å; E1467-K1490 PolarHBondContact OE1-NZ 3.22Å; E1467-K1490 WeakPolarHBondContact OE2-CD 3.24Å; E1467-K1490 WeakPolarHBondContact OE2-CE 3.44Å; E1467-K1490 VanDerWaalsContact OE2-CG 3.28Å; E1467-K1490 WeakPolarHBondContact OE2-CG 3.16Å; E1467-K1490 IonicContact OE2-NZ 3.38Å; E1467-K1490 PolarHBondContact OE2-NZ 3.21Å; L1468-K1490 PolarHBondContact N-O 2.91Å; V1488-K1490 VanDerWaalsContact CG1-C 3.48Å; V1488-K1490 VanDerWaalsContact CG1-O 3.24Å; V1488-K1490 WeakPolarHBondContact CG1-O 3.41Å; K1490-D1492 IonicContact NZ-OD2 2.69Å; K1490-D1492 PolarHBondContact NZ-OD2 3.25Å; K1490-T1515 CarbonylContact C-O 3.54Å; K1490-T1515 VanDerWaalsContact CA-O 3.24Å; K1490-T1515 WeakPolarHBondContact CA-O 3.24Å; K1490-T1515 HydrophobicContact CB-CG2 4.44Å; K1490-T1515 HydrophobicContact CD-CG2 4.09Å; K1490-T1515 HydrophobicContact CG-CG2 3.84Å |
| 1491 | L | 95.6 | Very high | 92 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 123.3 | 176.9 | 179.8 | 58.7 | 0 | 0 | 0 | 108.6 | L1468 L1470 F1483 V1488 L1493 F1506 L1509 L1513 T1515 L1516 L1517 | L1468-L1491 HydrophobicContact CB-CD1 4.19Å; L1468-L1491 HydrophobicContact CD2-CD1 4.03Å; L1468-L1491 HydrophobicContact CG-CD1 4.12Å; L1470-L1491 HydrophobicContact CD1-CD1 4.48Å; F1483-L1491 HydrophobicContact CD1-CD1 4.39Å; F1483-L1491 HydrophobicContact CD2-CD2 3.99Å; F1483-L1491 HydrophobicContact CE1-CD1 4.27Å; F1483-L1491 HydrophobicContact CE1-CD2 4.47Å; F1483-L1491 HydrophobicContact CE2-CD2 3.87Å; F1483-L1491 HydrophobicContact CG-CD2 4.36Å; F1483-L1491 HydrophobicContact CZ-CD1 4.32Å; F1483-L1491 HydrophobicContact CZ-CD2 4.13Å; V1488-L1491 HydrophobicContact CG1-CB 4.19Å; L1491-L1493 HydrophobicContact CD1-CD1 4.48Å; L1491-L1493 HydrophobicContact CD1-CD2 3.83Å; L1491-L1493 HydrophobicContact CD1-CG 4.27Å; L1491-L1493 HydrophobicContact CD2-CD1 3.99Å; L1491-L1493 HydrophobicContact CG-CD1 4.01Å; L1491-L1493 HydrophobicContact CG-CD2 4.21Å; L1491-L1493 HydrophobicContact CG-CG 4.09Å; L1491-F1506 HydrophobicContact CD2-CD1 4.22Å; L1491-F1506 HydrophobicContact CD2-CE1 3.96Å; L1491-L1509 HydrophobicContact CD2-CD1 4.06Å; L1491-L1513 HydrophobicContact CB-CD1 3.63Å; L1491-L1513 HydrophobicContact CB-CD2 4.28Å; L1491-T1515 PolarHBondContact N-O 3.29Å; L1491-L1516 HydrophobicContact CB-CD1 4.13Å; L1491-L1516 HydrophobicContact CD2-CD1 4.09Å; L1491-L1516 HydrophobicContact CG-CD1 4.13Å; L1491-L1516 CarbonylContact O-C 3.36Å; L1491-L1516 VanDerWaalsContact O-CA 3.3Å; L1491-L1516 WeakPolarHBondContact O-CA 3.39Å; L1491-L1517 PolarHBondContact O-N 3.16Å |
| 1492 | D | 96 | Very high | 92.2 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 106 | -174.6 | -173.5 | -22.9 | 0 | 0 | 0 | 109.7 | E1467 L1468 R1469 L1470 R1471 K1490 T1494 L1517 | E1467-D1492 HydrophobicContact CG-CB 4.48Å; L1468-D1492 PolarHBondContact O-N 3.03Å; R1469-D1492 CarbonylContact C-O 3.26Å; R1469-D1492 WeakPolarHBondContact CA-O 3.49Å; R1469-D1492 HydrophobicContact CB-CB 4.32Å; R1469-D1492 HydrophobicContact CG-CB 4.06Å; L1470-D1492 CarbonylContact C-O 3.2Å; L1470-D1492 PolarHBondContact N-O 2.95Å; R1471-D1492 VanDerWaalsContact CG-OD1 3.23Å; R1471-D1492 WeakPolarHBondContact CG-OD1 3.34Å; R1471-D1492 IonicContact CZ-OD1 3.5Å; R1471-D1492 IonicContact CZ-OD2 3.16Å; R1471-D1492 VanDerWaalsContact CZ-OD2 3.31Å; R1471-D1492 VanDerWaalsContact NE-CG 3.32Å; R1471-D1492 IonicContact NE-OD1 2.72Å; R1471-D1492 PolarHBondContact NE-OD1 2.96Å; R1471-D1492 IonicContact NE-OD2 3.19Å; R1471-D1492 PolarHBondContact NE-OD2 3.21Å; R1471-D1492 IonicContact NH2-OD1 3.33Å; R1471-D1492 PolarHBondContact NH2-OD1 3.05Å; R1471-D1492 IonicContact NH2-OD2 3.03Å; R1471-D1492 PolarHBondContact NH2-OD2 3.18Å; K1490-D1492 IonicContact NZ-OD2 2.69Å; K1490-D1492 PolarHBondContact NZ-OD2 3.25Å; D1492-T1494 WeakPolarHBondContact OD1-CB 3.3Å; D1492-T1494 PolarHBondContact OD1-N 3.19Å; D1492-T1494 VanDerWaalsContact OD1-N 3.11Å; D1492-T1494 PolarHBondContact OD1-OG1 3.11Å; D1492-L1517 WeakPolarHBondContact CA-O 3.45Å; D1492-L1517 HydrophobicContact CB-CB 4.3Å; D1492-L1517 HydrophobicContact CB-CD1 4.3Å; D1492-L1517 HydrophobicContact CB-CG 4.35Å; D1492-L1517 WeakPolarHBondContact OD2-CD1 3.35Å |
| 1493 | L | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -115.1 | 22.8 | -177.3 | -65.7 | 166.1 | 0 | 0 | 0 | 110.8 | L1470 L1475 L1478 F1483 L1491 N1496 I1498 F1506 L1516 L1517 L1518 N1521 | L1470-L1493 HydrophobicContact CB-CD2 3.88Å; L1470-L1493 HydrophobicContact CD1-CD2 4.11Å; L1470-L1493 HydrophobicContact CG-CD2 4.44Å; L1475-L1493 HydrophobicContact CD1-CD2 3.82Å; L1478-L1493 HydrophobicContact CD1-CD1 3.89Å; L1478-L1493 HydrophobicContact CD2-CD1 4.29Å; L1478-L1493 HydrophobicContact CG-CD1 4.44Å; F1483-L1493 HydrophobicContact CE2-CD1 4.4Å; F1483-L1493 HydrophobicContact CZ-CD1 4.19Å; F1483-L1493 HydrophobicContact CZ-CD2 4.16Å; L1491-L1493 HydrophobicContact CD1-CD1 4.48Å; L1491-L1493 HydrophobicContact CD1-CD2 3.83Å; L1491-L1493 HydrophobicContact CD1-CG 4.27Å; L1491-L1493 HydrophobicContact CD2-CD1 3.99Å; L1491-L1493 HydrophobicContact CG-CD1 4.01Å; L1491-L1493 HydrophobicContact CG-CD2 4.21Å; L1491-L1493 HydrophobicContact CG-CG 4.09Å; L1493-N1496 PolarHBondContact O-ND2 3.13Å; L1493-I1498 HydrophobicContact CB-CD1 4.17Å; L1493-I1498 HydrophobicContact CD1-CD1 4.17Å; L1493-F1506 HydrophobicContact CD1-CE1 4.41Å; L1493-L1516 HydrophobicContact CD1-CD1 4.43Å; L1493-L1517 CarbonylContact C-O 3.2Å; L1493-L1517 WeakPolarHBondContact CA-O 3.35Å; L1493-L1517 PolarHBondContact N-O 3.09Å; L1493-L1518 HydrophobicContact CB-CD2 3.89Å; L1493-L1518 HydrophobicContact CB-CG 4.44Å; L1493-L1518 HydrophobicContact CD1-CD2 3.92Å; L1493-L1518 HydrophobicContact CD1-CG 4.32Å; L1493-L1518 HydrophobicContact CG-CD2 4.4Å; L1493-N1521 PolarHBondContact O-ND2 3.1Å | ||
| 1494 | T | 95.2 | Very high | 92.5 | Very high | 16.8 Ų | 16.8 | 41.1 Ų | 41.1 | 10% | 0.103 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 146.5 | -176 | -63.1 | 0 | 0 | 0 | 0 | 112.3 | R1471 N1472 D1492 N1496 L1517 X1519 | R1471-T1494 CarbonylContact C-O 3.51Å; R1471-T1494 VanDerWaalsContact CA-O 3.26Å; R1471-T1494 WeakPolarHBondContact CA-O 3.33Å; R1471-T1494 VanDerWaalsContact CB-O 3.28Å; R1471-T1494 WeakPolarHBondContact CB-O 3.26Å; N1472-T1494 PolarHBondContact N-O 3.06Å; N1472-T1494 VanDerWaalsContact N-O 3.12Å; D1492-T1494 WeakPolarHBondContact OD1-CB 3.3Å; D1492-T1494 PolarHBondContact OD1-N 3.19Å; D1492-T1494 VanDerWaalsContact OD1-N 3.11Å; D1492-T1494 PolarHBondContact OD1-OG1 3.11Å; T1494-N1496 VanDerWaalsContact C-N 3.33Å; T1494-N1496 PolarHBondContact O-N 3.09Å; T1494-N1496 PolarHBondContact O-ND2 3.18Å; T1494-L1517 WeakPolarHBondContact OG1-CB 3.16Å; T1494-A1519 CarbonylContact C-O 3.5Å; T1494-A1519 VanDerWaalsContact CA-O 3.29Å; T1494-A1519 WeakPolarHBondContact CA-O 3.39Å; T1494-A1519 HydrophobicContact CG2-CB 4.19Å |
| 1495 | E | 93.4 | Very high | 92.7 | Very high | 105.2 Ų | 105.2 | 38 Ų | 38 | 49% | 0.492 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 41.6 | 178.3 | -67.7 | 165 | -145.9 | 0 | 0 | 113.2 | K1273 N1472 X1519 G1520 | K1273-E1495 IonicContact NZ-OE1 3.97Å; K1273-E1495 PolarHBondContact NZ-OE1 3.29Å; N1472-E1495 VanDerWaalsContact CA-O 3.28Å; N1472-E1495 WeakPolarHBondContact CA-O 3.38Å; N1472-E1495 PolarHBondContact N-O 3.22Å; N1472-E1495 VanDerWaalsContact N-O 3.13Å; E1495-A1519 PolarHBondContact N-O 2.86Å; E1495-G1520 VanDerWaalsContact CA-O 3.29Å; E1495-G1520 WeakPolarHBondContact CA-O 3.39Å |
| 1496 | N | 93.3 | Very high | 93.2 | Very high | 4.2 Ų | 4.2 | 37 Ų | 37 | 2% | 0.022 | 19% | 0.187 | C | C | . | . | trans | -100.5 | -173.8 | 168.1 | -81.8 | -91.6 | 0 | 0 | 0 | 111 | L1470 N1472 C1473 T1474 L1475 L1493 T1494 I1498 G1520 N1521 | L1470-N1496 PolarHBondContact O-ND2 3.05Å; N1472-N1496 PolarHBondContact N-ND2 3.04Å; C1473-N1496 VanDerWaalsContact C-OD1 3.3Å; C1473-N1496 VanDerWaalsContact CA-OD1 3.28Å; C1473-N1496 WeakPolarHBondContact CA-OD1 3.3Å; C1473-N1496 VanDerWaalsContact CB-OD1 3.31Å; C1473-N1496 WeakPolarHBondContact CB-OD1 3.38Å; C1473-N1496 PolarHBondContact N-OD1 3.19Å; T1474-N1496 PolarHBondContact N-OD1 3.06Å; L1475-N1496 HydrophobicContact CB-CB 4.25Å; L1475-N1496 WeakPolarHBondContact CB-OD1 3.36Å; L1475-N1496 PolarHBondContact N-OD1 3.03Å; L1475-N1496 VanDerWaalsContact N-OD1 3.1Å; L1493-N1496 PolarHBondContact O-ND2 3.13Å; T1494-N1496 VanDerWaalsContact C-N 3.33Å; T1494-N1496 PolarHBondContact O-N 3.09Å; T1494-N1496 PolarHBondContact O-ND2 3.18Å; N1496-I1498 HydrophobicContact CB-CD1 4.11Å; N1496-I1498 HydrophobicContact CB-CG1 3.94Å; N1496-G1520 PolarHBondContact N-O 3.13Å; N1496-N1521 VanDerWaalsContact CA-OD1 3.31Å; N1496-N1521 WeakPolarHBondContact CA-OD1 3.3Å; N1496-N1521 WeakPolarHBondContact CB-OD1 3.32Å; N1496-N1521 PolarHBondContact N-OD1 3.04Å; N1496-N1521 WeakPolarHBondContact O-CA 3.46Å; N1496-N1521 PolarHBondContact O-OD1 2.83Å | ||
| 1497 | L | 93.9 | Very high | 93.4 | Very high | 74.2 Ų | 74.2 | 38.7 Ų | 38.7 | 39% | 0.388 | 20% | 0.196 | S | C | . | . | trans | -105.4 | 24.1 | -179.3 | -54.9 | 177.1 | 0 | 0 | 0 | 111.7 | T1474 L1475 T1476 E1499 | T1474-L1497 HydrophobicContact CG2-CD1 4.49Å; L1475-L1497 CarbonylContact O-C 3.38Å; L1475-L1497 VanDerWaalsContact O-CA 3.29Å; L1475-L1497 WeakPolarHBondContact O-CA 3.4Å; L1475-L1497 PolarHBondContact O-N 3.14Å; T1476-L1497 WeakPolarHBondContact CA-O 3.32Å; T1476-L1497 HydrophobicContact CG2-CB 4.19Å; L1497-E1499 PolarHBondContact O-N 3.22Å; L1497-E1499 VanDerWaalsContact O-N 3.09Å | ||
| 1498 | I | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -69.2 | 109.7 | -166.7 | -57.7 | 166.6 | 0 | 0 | 0 | 109.4 | L1475 T1476 L1478 L1493 N1496 T1500 V1501 L1518 N1521 Q1522 L1523 | L1475-I1498 HydrophobicContact CB-CD1 4.39Å; L1475-I1498 HydrophobicContact CB-CG1 3.99Å; L1475-I1498 WeakPolarHBondContact O-CA 3.34Å; L1475-I1498 VanDerWaalsContact O-CG1 3.29Å; L1475-I1498 WeakPolarHBondContact O-CG1 3.36Å; L1475-I1498 PolarHBondContact O-N 3.09Å; L1475-I1498 VanDerWaalsContact O-N 3.08Å; T1476-I1498 WeakPolarHBondContact O-CA 3.17Å; L1478-I1498 HydrophobicContact CD1-CD1 4.19Å; L1478-I1498 HydrophobicContact CD2-CD1 3.94Å; L1478-I1498 HydrophobicContact CD2-CG1 4.49Å; L1478-I1498 HydrophobicContact CG-CD1 4.03Å; L1478-I1498 HydrophobicContact CG-CG1 4.47Å; L1478-I1498 HydrophobicContact CG-CG2 4.14Å; L1493-I1498 HydrophobicContact CB-CD1 4.17Å; L1493-I1498 HydrophobicContact CD1-CD1 4.17Å; N1496-I1498 HydrophobicContact CB-CD1 4.11Å; N1496-I1498 HydrophobicContact CB-CG1 3.94Å; I1498-T1500 VanDerWaalsContact CG2-O 3.23Å; I1498-T1500 WeakPolarHBondContact CG2-O 3.35Å; I1498-V1501 HydrophobicContact CG2-CG2 4.03Å; I1498-L1518 HydrophobicContact CD1-CD2 3.9Å; I1498-N1521 HydrophobicContact CB-CB 4.32Å; I1498-N1521 VanDerWaalsContact CB-OD1 3.24Å; I1498-N1521 WeakPolarHBondContact CB-OD1 3.35Å; I1498-N1521 WeakPolarHBondContact CD1-OD1 3.22Å; I1498-N1521 VanDerWaalsContact CG1-OD1 3.24Å; I1498-N1521 WeakPolarHBondContact CG1-OD1 3.26Å; I1498-N1521 PolarHBondContact N-OD1 2.95Å; I1498-Q1522 CarbonylContact O-C 3.39Å; I1498-Q1522 VanDerWaalsContact O-C 3.26Å; I1498-Q1522 WeakPolarHBondContact O-CA 3.28Å; I1498-Q1522 PolarHBondContact O-N 2.99Å; I1498-L1523 HydrophobicContact CB-CD2 4.49Å; I1498-L1523 HydrophobicContact CG2-CD2 3.95Å; I1498-L1523 WeakPolarHBondContact O-CD2 3.4Å; I1498-L1523 PolarHBondContact O-N 3.27Å | ||
| 1499 | E | 94.3 | Very high | 93.3 | Very high | 86.2 Ų | 86.2 | 35.8 Ų | 35.8 | 40% | 0.403 | 20% | 0.195 | S | C | . | . | trans | -89.2 | -30.6 | 172.9 | -71.1 | -167.4 | -118.8 | 0 | 0 | 112.1 | T1476 L1497 Q1522 K1524 | T1476-E1499 PolarHBondContact O-N 3.11Å; L1497-E1499 PolarHBondContact O-N 3.22Å; L1497-E1499 VanDerWaalsContact O-N 3.09Å; E1499-Q1522 HydrophobicContact CG-CB 3.75Å; E1499-K1524 IonicContact OE2-NZ 3.43Å; E1499-K1524 PolarHBondContact OE2-NZ 3.05Å | ||
| 1500 | T | 93.2 | Very high | 93.2 | Very high | 78 Ų | 78 | 35.8 Ų | 35.8 | 48% | 0.479 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 148.4 | -171.2 | 60.8 | 0 | 0 | 0 | 0 | 113.1 | E1477 L1478 I1498 | E1477-T1500 WeakPolarHBondContact CA-O 3.36Å; E1477-T1500 VanDerWaalsContact CB-OG1 3.29Å; E1477-T1500 WeakPolarHBondContact CB-OG1 3.31Å; L1478-T1500 PolarHBondContact N-O 2.98Å; I1498-T1500 VanDerWaalsContact CG2-O 3.23Å; I1498-T1500 WeakPolarHBondContact CG2-O 3.35Å |
| 1501 | V | 94.6 | Very high | 92.9 | Very high | 28.8 Ų | 28.8 | 39.1 Ų | 39.1 | 18% | 0.175 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 118.8 | 177.9 | -176.8 | 0 | 0 | 0 | 0 | 109 | L1478 I1498 A1505 F1506 L1523 P1527 A1530 | L1478-V1501 HydrophobicContact CB-CB 4.49Å; L1478-V1501 HydrophobicContact CB-CG1 4.21Å; L1478-V1501 HydrophobicContact CB-CG2 4.44Å; L1478-V1501 HydrophobicContact CD1-CG1 4.17Å; L1478-V1501 HydrophobicContact CD1-CG2 4.07Å; L1478-V1501 HydrophobicContact CG-CG2 4.42Å; I1498-V1501 HydrophobicContact CG2-CG2 4.03Å; V1501-A1505 HydrophobicContact CG1-CB 3.72Å; V1501-F1506 HydrophobicContact CG1-CE2 3.89Å; V1501-F1506 HydrophobicContact CG1-CZ 4.24Å; V1501-L1523 HydrophobicContact CG2-CD2 3.84Å; V1501-P1527 HydrophobicContact CB-CB 3.98Å; V1501-P1527 HydrophobicContact CG1-CB 4.34Å; V1501-P1527 HydrophobicContact CG2-CB 4.07Å; V1501-A1530 HydrophobicContact CB-CB 4.45Å; V1501-A1530 HydrophobicContact CG1-CB 3.57Å |
| 1502 | D | 94.8 | Very high | 92.7 | Very high | 58.4 Ų | 58.4 | 40.9 Ų | 40.9 | 31% | 0.312 | 22% | 0.223 | S | C | . | . | trans | -64.3 | 147 | 175.5 | 178.7 | -100 | 0 | 0 | 0 | 111.9 | L1478 E1480 K1504 A1505 A1530 | L1478-D1502 VanDerWaalsContact O-CB 3.26Å; L1478-D1502 WeakPolarHBondContact O-CB 3.23Å; L1478-D1502 PolarHBondContact O-N 3.06Å; E1480-D1502 VanDerWaalsContact CA-OD1 3.24Å; E1480-D1502 WeakPolarHBondContact CA-OD1 3.36Å; E1480-D1502 WeakPolarHBondContact CB-OD1 3.31Å; E1480-D1502 PolarHBondContact N-OD1 3.18Å; D1502-K1504 PolarHBondContact O-N 3.18Å; D1502-K1504 WeakPolarHBondContact OD1-CA 3.24Å; D1502-K1504 WeakPolarHBondContact OD1-CB 3.34Å; D1502-K1504 PolarHBondContact OD1-N 3.12Å; D1502-A1505 HydrophobicContact CB-CB 4.46Å; D1502-A1505 VanDerWaalsContact O-CB 3.27Å; D1502-A1505 WeakPolarHBondContact O-CB 3.32Å; D1502-A1505 PolarHBondContact O-N 3.01Å; D1502-A1530 VanDerWaalsContact O-CB 3.23Å; D1502-A1530 WeakPolarHBondContact O-CB 3.36Å | ||
| 1503 | V | 92.6 | Very high | 92.6 | Very high | 77.6 Ų | 77.6 | 40.9 Ų | 40.9 | 47% | 0.47 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -20.8 | -178.7 | -176.7 | 0 | 0 | 0 | 0 | 113.1 | K1529 A1530 | V1503-K1529 HydrophobicContact CB-CB 4.45Å; V1503-K1529 HydrophobicContact CG1-CB 4.23Å; V1503-K1529 HydrophobicContact CG2-CB 4Å; V1503-A1530 WeakPolarHBondContact O-CA 3.3Å |
| 1504 | K | 92.8 | Very high | 92.5 | Very high | 80.2 Ų | 80.2 | 42.7 Ų | 42.7 | 35% | 0.349 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | 17 | 178.7 | -55.5 | 167.1 | -175 | 167.8 | 0 | 112.8 | E1480 K1481 D1502 F1506 D1507 | E1480-K1504 HydrophobicContact CB-CB 4.34Å; E1480-K1504 HydrophobicContact CB-CD 4.41Å; E1480-K1504 HydrophobicContact CG-CB 3.98Å; E1480-K1504 HydrophobicContact CG-CD 3.68Å; E1480-K1504 WeakPolarHBondContact OE1-CD 3.22Å; E1480-K1504 IonicContact OE1-NZ 3.22Å; E1480-K1504 PolarHBondContact OE1-NZ 2.91Å; E1480-K1504 WeakPolarHBondContact OE2-CD 3.33Å; E1480-K1504 IonicContact OE2-NZ 3.17Å; E1480-K1504 PolarHBondContact OE2-NZ 3.17Å; K1481-K1504 WeakPolarHBondContact CA-O 3.17Å; K1481-K1504 PolarHBondContact N-O 3.25Å; D1502-K1504 PolarHBondContact O-N 3.18Å; D1502-K1504 WeakPolarHBondContact OD1-CA 3.24Å; D1502-K1504 WeakPolarHBondContact OD1-CB 3.34Å; D1502-K1504 PolarHBondContact OD1-N 3.12Å; K1504-F1506 PolarHBondContact O-N 3.02Å; K1504-F1506 VanDerWaalsContact O-N 3.16Å; K1504-D1507 HydrophobicContact CB-CB 4.25Å; K1504-D1507 WeakPolarHBondContact CB-OD2 3.33Å; K1504-D1507 WeakPolarHBondContact O-CB 3.4Å; K1504-D1507 PolarHBondContact O-N 3.08Å; K1504-D1507 VanDerWaalsContact O-N 3.07Å |
| 1505 | A | 93.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -36.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1478 K1479 Q1482 V1501 D1502 | L1478-A1505 HydrophobicContact CB-CB 3.83Å; K1479-A1505 WeakPolarHBondContact O-CA 3.27Å; Q1482-A1505 PolarHBondContact N-O 2.86Å; V1501-A1505 HydrophobicContact CG1-CB 3.72Å; D1502-A1505 HydrophobicContact CB-CB 4.46Å; D1502-A1505 VanDerWaalsContact O-CB 3.27Å; D1502-A1505 WeakPolarHBondContact O-CB 3.32Å; D1502-A1505 PolarHBondContact O-N 3.01Å |
| 1506 | F | 93.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 15.1 | 179.3 | -48.5 | -63.7 | 0 | 0 | 0 | 113.9 | L1478 F1483 L1491 L1493 V1501 K1504 G1508 L1509 K1510 L1516 L1518 A1530 L1531 M1534 | L1478-F1506 HydrophobicContact CD1-CE1 4.08Å; L1478-F1506 HydrophobicContact CD1-CZ 3.8Å; F1483-F1506 HydrophobicContact CD2-CD1 4.23Å; F1483-F1506 HydrophobicContact CD2-CE1 4.38Å; F1483-F1506 HydrophobicContact CE2-CD1 4.28Å; F1483-F1506 HydrophobicContact CE2-CE1 4.22Å; L1491-F1506 HydrophobicContact CD2-CD1 4.22Å; L1491-F1506 HydrophobicContact CD2-CE1 3.96Å; L1493-F1506 HydrophobicContact CD1-CE1 4.41Å; V1501-F1506 HydrophobicContact CG1-CE2 3.89Å; V1501-F1506 HydrophobicContact CG1-CZ 4.24Å; K1504-F1506 PolarHBondContact O-N 3.02Å; K1504-F1506 VanDerWaalsContact O-N 3.16Å; F1506-G1508 PolarHBondContact O-N 3.11Å; F1506-L1509 HydrophobicContact CB-CB 4.35Å; F1506-L1509 HydrophobicContact CD1-CD1 4.37Å; F1506-L1509 WeakPolarHBondContact O-CB 3.1Å; F1506-L1509 PolarHBondContact O-N 3.08Å; F1506-K1510 PolarHBondContact O-N 3.01Å; F1506-L1516 HydrophobicContact CE1-CD1 4.11Å; F1506-L1516 HydrophobicContact CE1-CD2 4.26Å; F1506-L1516 HydrophobicContact CE2-CD2 3.98Å; F1506-L1516 HydrophobicContact CZ-CD1 4.22Å; F1506-L1516 HydrophobicContact CZ-CD2 3.76Å; F1506-L1518 HydrophobicContact CZ-CD1 4.45Å; F1506-A1530 HydrophobicContact CD2-CB 4.25Å; F1506-A1530 HydrophobicContact CE2-CB 4.28Å; F1506-L1531 HydrophobicContact CD2-CD2 4.15Å; F1506-L1531 HydrophobicContact CE2-CD2 3.93Å; F1506-M1534 HydrophobicContact CB-CE 4.15Å; F1506-M1534 HydrophobicContact CB-SD 3.88Å; F1506-M1534 HydrophobicContact CD2-CE 4.31Å; F1506-M1534 HydrophobicContact CG-CE 4.3Å; F1506-M1534 HydrophobicContact CG-SD 4.48Å |
| 1507 | D | 90.2 | Very high | 92.9 | Very high | 37.6 Ų | 37.6 | 38.8 Ų | 38.8 | 20% | 0.201 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 131.5 | 168.2 | -86.7 | 9.7 | 0 | 0 | 0 | 109.5 | K1481 D1484 K1504 K1510 | K1481-D1507 WeakPolarHBondContact CE-OD2 2.95Å; K1481-D1507 HydrophobicContact CG-CB 3.69Å; D1484-D1507 WeakPolarHBondContact CA-O 2.98Å; K1504-D1507 HydrophobicContact CB-CB 4.25Å; K1504-D1507 WeakPolarHBondContact CB-OD2 3.33Å; K1504-D1507 WeakPolarHBondContact O-CB 3.4Å; K1504-D1507 PolarHBondContact O-N 3.08Å; K1504-D1507 VanDerWaalsContact O-N 3.07Å; D1507-K1510 WeakPolarHBondContact OD1-CE 3.18Å; D1507-K1510 IonicContact OD1-NZ 3.33Å; D1507-K1510 PolarHBondContact OD1-NZ 3.09Å |
| 1508 | G | 85.3 | Confident | 93.1 | Very high | 42.4 Ų | 42.4 | 35.3 Ų | 35.3 | 44% | 0.437 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.3 | -28.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | F1506 | F1506-G1508 PolarHBondContact O-N 3.11Š|
| 1509 | L | 91.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -16 | -178.9 | -69.7 | -179.5 | 0 | 0 | 0 | 114.8 | F1483 L1486 V1488 L1491 F1506 N1511 I1512 L1513 | F1483-L1509 HydrophobicContact CB-CD1 3.62Å; F1483-L1509 HydrophobicContact CB-CG 4.2Å; F1483-L1509 HydrophobicContact CD2-CD1 4.31Å; F1483-L1509 HydrophobicContact CG-CD1 4.13Å; L1486-L1509 VanDerWaalsContact O-CD2 3.26Å; L1486-L1509 WeakPolarHBondContact O-CD2 3.29Å; V1488-L1509 HydrophobicContact CB-CD1 4.33Å; V1488-L1509 HydrophobicContact CB-CD2 3.85Å; V1488-L1509 HydrophobicContact CG2-CD2 4.22Å; L1491-L1509 HydrophobicContact CD2-CD1 4.06Å; F1506-L1509 HydrophobicContact CB-CB 4.35Å; F1506-L1509 HydrophobicContact CD1-CD1 4.37Å; F1506-L1509 WeakPolarHBondContact O-CB 3.1Å; F1506-L1509 PolarHBondContact O-N 3.08Å; L1509-N1511 VanDerWaalsContact C-N 3.3Å; L1509-N1511 PolarHBondContact O-N 3.08Å; L1509-N1511 VanDerWaalsContact O-N 3.1Å; L1509-I1512 PolarHBondContact O-N 2.9Å; L1509-L1513 HydrophobicContact CB-CB 4.32Å; L1509-L1513 PolarHBondContact O-N 3.08Å |
| 1510 | K | 88.1 | Confident | 93.1 | Very high | 35.8 Ų | 35.8 | 33 Ų | 33 | 16% | 0.156 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | -39.6 | -170.9 | -83.5 | 166.2 | 177 | 166.9 | 0 | 116.1 | F1506 D1507 I1512 N1532 N1533 M1534 E1535 | F1506-K1510 PolarHBondContact O-N 3.01Å; D1507-K1510 WeakPolarHBondContact OD1-CE 3.18Å; D1507-K1510 IonicContact OD1-NZ 3.33Å; D1507-K1510 PolarHBondContact OD1-NZ 3.09Å; K1510-I1512 PolarHBondContact O-N 3.26Å; K1510-N1532 VanDerWaalsContact CE-O 3.24Å; K1510-N1532 WeakPolarHBondContact CE-O 3.4Å; K1510-N1533 WeakPolarHBondContact CB-O 3.49Å; K1510-M1534 HydrophobicContact CB-SD 4.18Å; K1510-M1534 HydrophobicContact CD-SD 4.49Å; K1510-M1534 HydrophobicContact CG-CG 4.29Å; K1510-M1534 HydrophobicContact CG-SD 3.43Å; K1510-M1534 WeakPolarHBondContact CG-SD 3.25Å; K1510-M1534 CarbonylContact O-C 3.5Å; K1510-M1534 WeakPolarHBondContact O-CA 3.34Å; K1510-E1535 PolarHBondContact O-N 3.11Å |
| 1511 | N | 88.5 | Confident | 93.3 | Very high | 95.8 Ų | 95.8 | 29.7 Ų | 29.7 | 51% | 0.512 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 16.7 | -177 | -51.1 | 62.5 | 0 | 0 | 0 | 112.8 | L1509 E1535 E1536 | L1509-N1511 VanDerWaalsContact C-N 3.3Å; L1509-N1511 PolarHBondContact O-N 3.08Å; L1509-N1511 VanDerWaalsContact O-N 3.1Å; N1511-E1535 PolarHBondContact ND2-OE1 3.41Å; N1511-E1535 PolarHBondContact ND2-OE2 3.08Å; N1511-E1536 VanDerWaalsContact O-CG 3.28Å; N1511-E1536 WeakPolarHBondContact O-CG 3.31Å |
| 1512 | I | 91.1 | Very high | 93.3 | Very high | 37.8 Ų | 37.8 | 32.4 Ų | 32.4 | 19% | 0.194 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -136.7 | -40.9 | -173 | -54.4 | 174.3 | 0 | 0 | 0 | 111.6 | L1464 F1487 V1488 K1489 L1509 K1510 Q1514 | L1464-I1512 HydrophobicContact CD1-CG2 4.12Å; F1487-I1512 HydrophobicContact CB-CD1 4.26Å; F1487-I1512 HydrophobicContact CD1-CD1 3.59Å; F1487-I1512 VanDerWaalsContact CD1-CD1 3.47Å; F1487-I1512 HydrophobicContact CE1-CD1 4.35Å; F1487-I1512 HydrophobicContact CG-CD1 4.29Å; V1488-I1512 WeakPolarHBondContact O-CG2 3.5Å; K1489-I1512 HydrophobicContact CB-CG2 4.15Å; K1489-I1512 HydrophobicContact CD-CG2 4.45Å; K1489-I1512 HydrophobicContact CG-CG2 3.98Å; K1489-I1512 WeakPolarHBondContact CG-O 3.36Å; L1509-I1512 PolarHBondContact O-N 2.9Å; K1510-I1512 PolarHBondContact O-N 3.26Å; I1512-Q1514 WeakPolarHBondContact O-CG 3.14Å; I1512-Q1514 PolarHBondContact O-N 3.04Å |
| 1513 | L | 93.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -69.3 | 119.2 | -173 | -163.8 | 72.9 | 0 | 0 | 0 | 111.7 | V1488 K1489 L1491 L1509 T1515 L1516 M1534 E1536 L1537 | V1488-L1513 HydrophobicContact CB-CD1 4.07Å; V1488-L1513 HydrophobicContact CG1-CD1 4.19Å; V1488-L1513 VanDerWaalsContact O-CA 3.28Å; V1488-L1513 WeakPolarHBondContact O-CA 3.37Å; V1488-L1513 WeakPolarHBondContact O-CD1 3.32Å; V1488-L1513 PolarHBondContact O-N 3.29Å; K1489-L1513 WeakPolarHBondContact O-CD1 3.2Å; L1491-L1513 HydrophobicContact CB-CD1 3.63Å; L1491-L1513 HydrophobicContact CB-CD2 4.28Å; L1509-L1513 HydrophobicContact CB-CB 4.32Å; L1509-L1513 PolarHBondContact O-N 3.08Å; L1513-T1515 VanDerWaalsContact CD1-O 3.3Å; L1513-T1515 WeakPolarHBondContact CD1-O 3.44Å; L1513-T1515 VanDerWaalsContact CG-O 3.29Å; L1513-T1515 WeakPolarHBondContact CG-O 3.15Å; L1513-L1516 HydrophobicContact CD2-CB 3.93Å; L1513-L1516 HydrophobicContact CD2-CD1 4.25Å; L1513-L1516 HydrophobicContact CD2-CD2 4.43Å; L1513-L1516 HydrophobicContact CD2-CG 4.45Å; L1513-M1534 HydrophobicContact CB-CE 3.84Å; L1513-M1534 HydrophobicContact CD2-CE 3.45Å; L1513-M1534 VanDerWaalsContact CD2-CE 3.43Å; L1513-M1534 HydrophobicContact CG-CE 4.21Å; L1513-E1536 CarbonylContact O-C 3.46Å; L1513-L1537 HydrophobicContact CD2-CD1 4.35Å; L1513-L1537 HydrophobicContact CG-CD1 4.33Å; L1513-L1537 VanDerWaalsContact O-CA 3.29Å; L1513-L1537 WeakPolarHBondContact O-CA 3.26Å; L1513-L1537 PolarHBondContact O-N 3.08Å; L1513-L1537 VanDerWaalsContact O-N 3.13Å | ||
| 1514 | Q | 94.7 | Very high | 93.4 | Very high | 38.6 Ų | 38.6 | 32.1 Ų | 32.1 | 18% | 0.18 | 17% | 0.174 | C | C | . | . | trans | -101.7 | -26.3 | -179.2 | -63.8 | -176.8 | -28.3 | 0 | 0 | 112.6 | E1290 K1489 I1512 E1536 Q1538 H1539 | E1290-Q1514 PolarHBondContact OE1-NE2 2.79Å; K1489-Q1514 HydrophobicContact CB-CB 4.4Å; K1489-Q1514 HydrophobicContact CB-CG 4.12Å; K1489-Q1514 VanDerWaalsContact CE-OE1 3.27Å; K1489-Q1514 VanDerWaalsContact NZ-CD 3.27Å; K1489-Q1514 CarbonylContact O-C 3.48Å; K1489-Q1514 VanDerWaalsContact O-CA 3.31Å; K1489-Q1514 WeakPolarHBondContact O-CA 3.28Å; K1489-Q1514 WeakPolarHBondContact O-CB 3.23Å; K1489-Q1514 PolarHBondContact O-N 2.9Å; I1512-Q1514 WeakPolarHBondContact O-CG 3.14Å; I1512-Q1514 PolarHBondContact O-N 3.04Å; Q1514-E1536 WeakPolarHBondContact CA-O 3.41Å; Q1514-E1536 HydrophobicContact CG-CB 4.1Å; Q1514-E1536 PolarHBondContact NE2-OE2 2.65Å; Q1514-E1536 VanDerWaalsContact NE2-OE2 3.16Å; Q1514-Q1538 WeakPolarHBondContact O-CA 3.37Å; Q1514-Q1538 WeakPolarHBondContact O-CB 3.32Å; Q1514-Q1538 PolarHBondContact O-N 3.02Å; Q1514-H1539 PolarHBondContact O-N 3.15Å; Q1514-H1539 VanDerWaalsContact O-N 3.13Å | ||
| 1515 | T | 96.3 | Very high | 93.4 | Very high | 16.8 Ų | 16.8 | 32.8 Ų | 32.8 | 10% | 0.103 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 130.3 | 179.6 | -58.6 | 0 | 0 | 0 | 0 | 110.4 | K1489 K1490 L1491 L1513 L1517 H1539 | K1489-T1515 PolarHBondContact O-N 3.02Å; K1489-T1515 VanDerWaalsContact O-N 3.1Å; K1490-T1515 CarbonylContact C-O 3.54Å; K1490-T1515 VanDerWaalsContact CA-O 3.24Å; K1490-T1515 WeakPolarHBondContact CA-O 3.24Å; K1490-T1515 HydrophobicContact CB-CG2 4.44Å; K1490-T1515 HydrophobicContact CD-CG2 4.09Å; K1490-T1515 HydrophobicContact CG-CG2 3.84Å; L1491-T1515 PolarHBondContact N-O 3.29Å; L1513-T1515 VanDerWaalsContact CD1-O 3.3Å; L1513-T1515 WeakPolarHBondContact CD1-O 3.44Å; L1513-T1515 VanDerWaalsContact CG-O 3.29Å; L1513-T1515 WeakPolarHBondContact CG-O 3.15Å; T1515-L1517 HydrophobicContact CG2-CD2 3.86Å; T1515-L1517 HydrophobicContact CG2-CG 4.09Å; T1515-H1539 CarbonylContact C-O 3.54Å; T1515-H1539 WeakPolarHBondContact CA-O 3.29Å; T1515-H1539 HydrophobicContact CG2-CB 4.09Å; T1515-H1539 PolarHBondContact OG1-CD2 2.95Å |
| 1516 | L | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 118.7 | 172.8 | 178.2 | 59.5 | 0 | 0 | 0 | 109.2 | L1491 L1493 F1506 L1513 L1518 L1531 L1537 H1539 L1540 D1541 | L1491-L1516 HydrophobicContact CB-CD1 4.13Å; L1491-L1516 HydrophobicContact CD2-CD1 4.09Å; L1491-L1516 HydrophobicContact CG-CD1 4.13Å; L1491-L1516 CarbonylContact O-C 3.36Å; L1491-L1516 VanDerWaalsContact O-CA 3.3Å; L1491-L1516 WeakPolarHBondContact O-CA 3.39Å; L1493-L1516 HydrophobicContact CD1-CD1 4.43Å; F1506-L1516 HydrophobicContact CE1-CD1 4.11Å; F1506-L1516 HydrophobicContact CE1-CD2 4.26Å; F1506-L1516 HydrophobicContact CE2-CD2 3.98Å; F1506-L1516 HydrophobicContact CZ-CD1 4.22Å; F1506-L1516 HydrophobicContact CZ-CD2 3.76Å; L1513-L1516 HydrophobicContact CD2-CB 3.93Å; L1513-L1516 HydrophobicContact CD2-CD1 4.25Å; L1513-L1516 HydrophobicContact CD2-CD2 4.43Å; L1513-L1516 HydrophobicContact CD2-CG 4.45Å; L1516-L1518 HydrophobicContact CD1-CD1 4.3Å; L1516-L1518 HydrophobicContact CD1-CG 4.18Å; L1516-L1518 HydrophobicContact CD2-CD1 3.83Å; L1516-L1518 HydrophobicContact CG-CD1 3.98Å; L1516-L1518 HydrophobicContact CG-CG 4.17Å; L1516-L1531 HydrophobicContact CD2-CD2 3.52Å; L1516-L1531 VanDerWaalsContact CD2-CD2 3.43Å; L1516-L1537 HydrophobicContact CB-CD1 4.01Å; L1516-H1539 PolarHBondContact N-O 2.92Å; L1516-H1539 VanDerWaalsContact N-O 3.11Å; L1516-L1540 HydrophobicContact CB-CD1 4.11Å; L1516-L1540 HydrophobicContact CD2-CD1 4.02Å; L1516-L1540 HydrophobicContact CG-CD1 4.17Å; L1516-L1540 CarbonylContact O-C 3.33Å; L1516-L1540 WeakPolarHBondContact O-CA 3.13Å; L1516-D1541 PolarHBondContact O-N 3.14Å |
| 1517 | L | 97.4 | Very high | 93.4 | Very high | 26.6 Ų | 26.6 | 33.3 Ų | 33.3 | 14% | 0.139 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 118.5 | 174.7 | -49 | 179.5 | 0 | 0 | 0 | 109 | L1491 D1492 L1493 T1494 T1515 D1541 | L1491-L1517 PolarHBondContact O-N 3.16Å; D1492-L1517 WeakPolarHBondContact CA-O 3.45Å; D1492-L1517 HydrophobicContact CB-CB 4.3Å; D1492-L1517 HydrophobicContact CB-CD1 4.3Å; D1492-L1517 HydrophobicContact CB-CG 4.35Å; D1492-L1517 WeakPolarHBondContact OD2-CD1 3.35Å; L1493-L1517 CarbonylContact C-O 3.2Å; L1493-L1517 WeakPolarHBondContact CA-O 3.35Å; L1493-L1517 PolarHBondContact N-O 3.09Å; T1494-L1517 WeakPolarHBondContact OG1-CB 3.16Å; T1515-L1517 HydrophobicContact CG2-CD2 3.86Å; T1515-L1517 HydrophobicContact CG2-CG 4.09Å; L1517-D1541 CarbonylContact C-O 3.35Å; L1517-D1541 HydrophobicContact CB-CB 4.32Å; L1517-D1541 HydrophobicContact CD2-CB 3.59Å; L1517-D1541 VanDerWaalsContact CD2-CB 3.41Å; L1517-D1541 HydrophobicContact CG-CB 4.44Å |
| 1518 | L | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -125.2 | 18.8 | 177.8 | -79.1 | 164.4 | 0 | 0 | 0 | 110.7 | L1478 L1493 I1498 F1506 L1516 N1521 L1523 P1527 D1541 L1542 N1545 | L1478-L1518 HydrophobicContact CD1-CD2 4.4Å; L1493-L1518 HydrophobicContact CB-CD2 3.89Å; L1493-L1518 HydrophobicContact CB-CG 4.44Å; L1493-L1518 HydrophobicContact CD1-CD2 3.92Å; L1493-L1518 HydrophobicContact CD1-CG 4.32Å; L1493-L1518 HydrophobicContact CG-CD2 4.4Å; I1498-L1518 HydrophobicContact CD1-CD2 3.9Å; F1506-L1518 HydrophobicContact CZ-CD1 4.45Å; L1516-L1518 HydrophobicContact CD1-CD1 4.3Å; L1516-L1518 HydrophobicContact CD1-CG 4.18Å; L1516-L1518 HydrophobicContact CD2-CD1 3.83Å; L1516-L1518 HydrophobicContact CG-CD1 3.98Å; L1516-L1518 HydrophobicContact CG-CG 4.17Å; L1518-N1521 WeakPolarHBondContact O-CB 3.32Å; L1518-N1521 PolarHBondContact O-ND2 3.02Å; L1518-L1523 HydrophobicContact CB-CD1 4.39Å; L1518-L1523 HydrophobicContact CD1-CD1 4.41Å; L1518-L1523 HydrophobicContact CD2-CD1 4.36Å; L1518-P1527 HydrophobicContact CD1-CG 4.42Å; L1518-D1541 CarbonylContact C-O 3.41Å; L1518-D1541 WeakPolarHBondContact CA-O 3.28Å; L1518-D1541 WeakPolarHBondContact CB-O 3.38Å; L1518-D1541 PolarHBondContact N-O 3Å; L1518-L1542 HydrophobicContact CB-CD2 3.88Å; L1518-L1542 HydrophobicContact CD1-CD2 3.91Å; L1518-L1542 HydrophobicContact CG-CD2 4.4Å; L1518-N1545 PolarHBondContact O-ND2 2.82Å | ||
| 1519 | X | 96.3 | Very high | 93.6 | Very high | 12.2 Ų | 12.2 | 34.9 Ų | 34.9 | 10% | 0.101 | 18% | 0.175 | C | C | . | . | trans | -62.1 | 151.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T1494 E1495 N1521 D1541 S1543 | T1494-A1519 CarbonylContact C-O 3.5Å; T1494-A1519 VanDerWaalsContact CA-O 3.29Å; T1494-A1519 WeakPolarHBondContact CA-O 3.39Å; T1494-A1519 HydrophobicContact CG2-CB 4.19Å; E1495-A1519 PolarHBondContact N-O 2.86Å; A1519-N1521 VanDerWaalsContact C-N 3.26Å; A1519-N1521 PolarHBondContact O-N 3.03Å; A1519-N1521 PolarHBondContact O-ND2 3.11Å; A1519-D1541 PolarHBondContact N-O 3.22Å; A1519-S1543 CarbonylContact C-O 3.45Å; A1519-S1543 WeakPolarHBondContact CA-O 3.37Å | ||
| 1520 | G | 95 | Very high | 93.6 | Very high | 25.6 Ų | 25.6 | 34.9 Ų | 34.9 | 26% | 0.264 | 18% | 0.176 | S | C | . | . | S | Bend | trans | 68.5 | 30.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | E1495 N1496 S1543 S1544 | E1495-G1520 VanDerWaalsContact CA-O 3.29Å; E1495-G1520 WeakPolarHBondContact CA-O 3.39Å; N1496-G1520 PolarHBondContact N-O 3.13Å; G1520-S1543 PolarHBondContact N-O 3.21Å; G1520-S1544 CarbonylContact C-O 3.52Å; G1520-S1544 WeakPolarHBondContact CA-O 3.26Å; G1520-S1544 PolarHBondContact N-O 3.02Å |
| 1521 | N | 96 | Very high | 93.9 | Very high | 9.2 Ų | 9.2 | 33.3 Ų | 33.3 | 5% | 0.049 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -109.3 | -170.9 | -179.8 | -84.2 | -87 | 0 | 0 | 0 | 111.5 | L1493 N1496 I1498 L1518 X1519 L1523 S1544 N1545 | L1493-N1521 PolarHBondContact O-ND2 3.1Å; N1496-N1521 VanDerWaalsContact CA-OD1 3.31Å; N1496-N1521 WeakPolarHBondContact CA-OD1 3.3Å; N1496-N1521 WeakPolarHBondContact CB-OD1 3.32Å; N1496-N1521 PolarHBondContact N-OD1 3.04Å; N1496-N1521 WeakPolarHBondContact O-CA 3.46Å; N1496-N1521 PolarHBondContact O-OD1 2.83Å; I1498-N1521 HydrophobicContact CB-CB 4.32Å; I1498-N1521 VanDerWaalsContact CB-OD1 3.24Å; I1498-N1521 WeakPolarHBondContact CB-OD1 3.35Å; I1498-N1521 WeakPolarHBondContact CD1-OD1 3.22Å; I1498-N1521 VanDerWaalsContact CG1-OD1 3.24Å; I1498-N1521 WeakPolarHBondContact CG1-OD1 3.26Å; I1498-N1521 PolarHBondContact N-OD1 2.95Å; L1518-N1521 WeakPolarHBondContact O-CB 3.32Å; L1518-N1521 PolarHBondContact O-ND2 3.02Å; A1519-N1521 VanDerWaalsContact C-N 3.26Å; A1519-N1521 PolarHBondContact O-N 3.03Å; A1519-N1521 PolarHBondContact O-ND2 3.11Å; N1521-L1523 HydrophobicContact CB-CG 4.45Å; N1521-S1544 PolarHBondContact N-O 3.06Å; N1521-N1545 WeakPolarHBondContact CA-OD1 3.29Å; N1521-N1545 VanDerWaalsContact CB-OD1 3.25Å; N1521-N1545 WeakPolarHBondContact CB-OD1 3.32Å; N1521-N1545 PolarHBondContact N-ND2 3.13Å; N1521-N1545 WeakPolarHBondContact O-CA 3.23Å; N1521-N1545 PolarHBondContact O-OD1 3.08Å |
| 1522 | Q | 95.8 | Very high | 93.9 | Very high | 86.4 Ų | 86.4 | 31.2 Ų | 31.2 | 40% | 0.404 | 16% | 0.157 | S | C | . | . | trans | -112.4 | 23.1 | -176.2 | -58.5 | -164.8 | 26 | 0 | 0 | 113.5 | I1498 E1499 K1524 N1545 | I1498-Q1522 CarbonylContact O-C 3.39Å; I1498-Q1522 VanDerWaalsContact O-C 3.26Å; I1498-Q1522 WeakPolarHBondContact O-CA 3.28Å; I1498-Q1522 PolarHBondContact O-N 2.99Å; E1499-Q1522 HydrophobicContact CG-CB 3.75Å; Q1522-K1524 PolarHBondContact O-N 3.05Å; Q1522-N1545 PolarHBondContact N-OD1 3.14Å | ||
| 1523 | L | 95.5 | Very high | 93.6 | Very high | 3.8 Ų | 3.8 | 32.9 Ų | 32.9 | 2% | 0.02 | 17% | 0.167 | C | C | . | . | trans | -62.8 | 137.5 | 179.7 | -58.4 | 173.5 | 0 | 0 | 0 | 110.5 | I1498 V1501 L1518 N1521 P1527 L1542 N1545 G1546 I1547 | I1498-L1523 HydrophobicContact CB-CD2 4.49Å; I1498-L1523 HydrophobicContact CG2-CD2 3.95Å; I1498-L1523 WeakPolarHBondContact O-CD2 3.4Å; I1498-L1523 PolarHBondContact O-N 3.27Å; V1501-L1523 HydrophobicContact CG2-CD2 3.84Å; L1518-L1523 HydrophobicContact CB-CD1 4.39Å; L1518-L1523 HydrophobicContact CD1-CD1 4.41Å; L1518-L1523 HydrophobicContact CD2-CD1 4.36Å; N1521-L1523 HydrophobicContact CB-CG 4.45Å; L1523-P1527 HydrophobicContact CD1-CG 4.42Å; L1523-L1542 HydrophobicContact CD1-CD2 3.59Å; L1523-N1545 HydrophobicContact CB-CB 4.46Å; L1523-N1545 VanDerWaalsContact CB-OD1 3.26Å; L1523-N1545 WeakPolarHBondContact CB-OD1 3.23Å; L1523-N1545 VanDerWaalsContact CG-OD1 3.27Å; L1523-N1545 WeakPolarHBondContact CG-OD1 3.21Å; L1523-N1545 PolarHBondContact N-OD1 3.18Å; L1523-N1545 VanDerWaalsContact N-OD1 3.08Å; L1523-G1546 CarbonylContact O-C 3.47Å; L1523-G1546 WeakPolarHBondContact O-CA 3.29Å; L1523-G1546 PolarHBondContact O-N 2.98Å; L1523-I1547 HydrophobicContact CB-CD1 4.37Å; L1523-I1547 HydrophobicContact CB-CG1 4.24Å; L1523-I1547 PolarHBondContact O-N 3.11Å; L1523-I1547 VanDerWaalsContact O-N 3.12Å | ||
| 1524 | K | 93 | Very high | 93.5 | Very high | 124.6 Ų | 124.6 | 32.9 Ų | 32.9 | 54% | 0.542 | 17% | 0.167 | S | C | . | . | trans | -111.4 | -22.8 | -176.2 | -66.9 | 157 | -170.6 | 167.4 | 0 | 113.6 | E1499 Q1522 I1547 G1548 | E1499-K1524 IonicContact OE2-NZ 3.43Å; E1499-K1524 PolarHBondContact OE2-NZ 3.05Å; Q1522-K1524 PolarHBondContact O-N 3.05Å; K1524-I1547 WeakPolarHBondContact O-CA 3.33Å; K1524-G1548 PolarHBondContact O-N 3.14Å | ||
| 1525 | E | 93.2 | Very high | 93.3 | Very high | 94.6 Ų | 94.6 | 35.2 Ų | 35.2 | 44% | 0.442 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -127.4 | 157.9 | 174.7 | 61.2 | 178.8 | -116.5 | 0 | 0 | 108.6 | K1529 E1554 | E1525-K1529 IonicContact OE1-NZ 3.26Å; E1525-K1529 PolarHBondContact OE1-NZ 3.13Å; E1525-E1554 HydrophobicContact CB-CG 4.46Å; E1525-E1554 VanDerWaalsContact CB-OE1 3.28Å; E1525-E1554 WeakPolarHBondContact CB-OE1 3.33Å |
| 1526 | L | 93 | Very high | 93.1 | Very high | 0.6 Ų | 0.6 | 36.5 Ų | 36.5 | 0% | 0.003 | 18% | 0.182 | C | C | . | . | trans | -62.9 | 130.5 | 168.1 | -68.3 | -179.8 | 0 | 0 | 0 | 110 | N1528 L1542 I1547 I1550 E1554 L1556 L1567 | L1526-N1528 HydrophobicContact CB-CB 4.37Å; L1526-N1528 PolarHBondContact O-N 3.07Å; L1526-L1542 HydrophobicContact CD2-CD1 3.85Å; L1526-I1547 HydrophobicContact CD2-CD1 4.17Å; L1526-I1547 HydrophobicContact CD2-CG2 4.27Å; L1526-I1547 HydrophobicContact CG-CG2 4.39Å; L1526-I1550 HydrophobicContact CD1-CB 4.42Å; L1526-I1550 HydrophobicContact CD1-CD1 4.06Å; L1526-I1550 HydrophobicContact CD1-CG1 4.04Å; L1526-I1550 HydrophobicContact CD1-CG2 3.76Å; L1526-I1550 HydrophobicContact CG-CD1 4.4Å; L1526-I1550 HydrophobicContact CG-CG1 4.34Å; L1526-E1554 HydrophobicContact CB-CB 4.24Å; L1526-E1554 HydrophobicContact CB-CG 4.44Å; L1526-E1554 WeakPolarHBondContact CB-OE2 3.23Å; L1526-E1554 HydrophobicContact CD1-CB 4.29Å; L1526-E1554 WeakPolarHBondContact CD1-O 3.15Å; L1526-E1554 HydrophobicContact CG-CB 4.44Å; L1526-E1554 WeakPolarHBondContact CG-OE2 3.28Å; L1526-E1554 PolarHBondContact N-OE2 2.97Å; L1526-L1556 HydrophobicContact CD1-CD2 4.46Å; L1526-L1556 HydrophobicContact CD1-CG 4.41Å; L1526-L1567 HydrophobicContact CD2-CD2 3.6Å; L1526-L1567 VanDerWaalsContact CD2-CD2 3.5Å | ||
| 1527 | P | 92.6 | Very high | 93 | Very high | 10.4 Ų | 10.4 | 36.5 Ų | 36.5 | 7% | 0.068 | 18% | 0.182 | C | C | . | . | trans | -76.1 | 40.3 | 179.2 | 32.1 | -36 | 0 | 0 | 0 | 112.7 | V1501 L1518 L1523 K1529 A1530 L1531 L1542 | V1501-P1527 HydrophobicContact CB-CB 3.98Å; V1501-P1527 HydrophobicContact CG1-CB 4.34Å; V1501-P1527 HydrophobicContact CG2-CB 4.07Å; L1518-P1527 HydrophobicContact CD1-CG 4.42Å; L1523-P1527 HydrophobicContact CD1-CG 4.42Å; P1527-K1529 VanDerWaalsContact C-N 3.31Å; P1527-K1529 PolarHBondContact O-N 3Å; P1527-A1530 WeakPolarHBondContact O-CA 3.36Å; P1527-A1530 WeakPolarHBondContact O-CB 3.41Å; P1527-A1530 PolarHBondContact O-N 2.96Å; P1527-L1531 HydrophobicContact CG-CD1 4Å; P1527-L1531 HydrophobicContact CG-CG 4.4Å; P1527-L1531 WeakPolarHBondContact O-CG 3.26Å; P1527-L1531 PolarHBondContact O-N 3.03Å; P1527-L1531 VanDerWaalsContact O-N 3.13Å; P1527-L1542 HydrophobicContact CG-CD2 4.14Å | ||
| 1528 | N | 90.3 | Very high | 92.9 | Very high | 7 Ų | 7 | 37.5 Ų | 37.5 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.7 | -35.8 | -168.4 | 74.3 | -30.6 | 0 | 0 | 0 | 113.6 | L1526 A1530 L1531 N1532 N1553 E1554 Q1555 L1556 | L1526-N1528 HydrophobicContact CB-CB 4.37Å; L1526-N1528 PolarHBondContact O-N 3.07Å; N1528-A1530 VanDerWaalsContact C-N 3.28Å; N1528-A1530 PolarHBondContact O-N 3.16Å; N1528-L1531 CarbonylContact O-C 3.33Å; N1528-L1531 PolarHBondContact O-N 3.04Å; N1528-N1532 PolarHBondContact O-N 3.22Å; N1528-N1553 PolarHBondContact ND2-O 3.12Å; N1528-E1554 WeakPolarHBondContact CB-O 3.25Å; N1528-E1554 VanDerWaalsContact ND2-C 3.26Å; N1528-E1554 WeakPolarHBondContact ND2-CA 3.29Å; N1528-E1554 PolarHBondContact ND2-O 2.76Å; N1528-Q1555 VanDerWaalsContact CB-O 3.3Å; N1528-Q1555 WeakPolarHBondContact CB-O 3.25Å; N1528-Q1555 PolarHBondContact ND2-N 3.08Å; N1528-Q1555 PolarHBondContact ND2-O 3.08Å; N1528-L1556 HydrophobicContact CB-CD2 4.23Å |
| 1529 | K | 91 | Very high | 92.9 | Very high | 106.6 Ų | 106.6 | 40.3 Ų | 40.3 | 46% | 0.463 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.6 | -37.9 | 175.7 | -61.8 | 146.6 | -159.8 | 153 | 0 | 111.6 | V1503 E1525 P1527 | V1503-K1529 HydrophobicContact CB-CB 4.45Å; V1503-K1529 HydrophobicContact CG1-CB 4.23Å; V1503-K1529 HydrophobicContact CG2-CB 4Å; E1525-K1529 IonicContact OE1-NZ 3.26Å; E1525-K1529 PolarHBondContact OE1-NZ 3.13Å; P1527-K1529 VanDerWaalsContact C-N 3.31Å; P1527-K1529 PolarHBondContact O-N 3Å |
| 1530 | A | 92 | Very high | 92.9 | Very high | 1.2 Ų | 1.2 | 39.9 Ų | 39.9 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -79.8 | -32.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1501 D1502 V1503 F1506 P1527 N1528 N1532 | V1501-A1530 HydrophobicContact CB-CB 4.45Å; V1501-A1530 HydrophobicContact CG1-CB 3.57Å; D1502-A1530 VanDerWaalsContact O-CB 3.23Å; D1502-A1530 WeakPolarHBondContact O-CB 3.36Å; V1503-A1530 WeakPolarHBondContact O-CA 3.3Å; F1506-A1530 HydrophobicContact CD2-CB 4.25Å; F1506-A1530 HydrophobicContact CE2-CB 4.28Å; P1527-A1530 WeakPolarHBondContact O-CA 3.36Å; P1527-A1530 WeakPolarHBondContact O-CB 3.41Å; P1527-A1530 PolarHBondContact O-N 2.96Å; N1528-A1530 VanDerWaalsContact C-N 3.28Å; N1528-A1530 PolarHBondContact O-N 3.16Å; A1530-N1532 VanDerWaalsContact C-N 3.32Å; A1530-N1532 PolarHBondContact O-N 2.79Å |
| 1531 | L | 92.4 | Very high | 93 | Very high | 1.4 Ų | 1.4 | 40.3 Ų | 40.3 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -81.7 | -6.1 | 177.4 | -60.8 | 176.5 | 0 | 0 | 0 | 113.8 | F1506 L1516 P1527 N1528 N1533 M1534 L1540 L1556 L1559 | F1506-L1531 HydrophobicContact CD2-CD2 4.15Å; F1506-L1531 HydrophobicContact CE2-CD2 3.93Å; L1516-L1531 HydrophobicContact CD2-CD2 3.52Å; L1516-L1531 VanDerWaalsContact CD2-CD2 3.43Å; P1527-L1531 HydrophobicContact CG-CD1 4Å; P1527-L1531 HydrophobicContact CG-CG 4.4Å; P1527-L1531 WeakPolarHBondContact O-CG 3.26Å; P1527-L1531 PolarHBondContact O-N 3.03Å; P1527-L1531 VanDerWaalsContact O-N 3.13Å; N1528-L1531 CarbonylContact O-C 3.33Å; N1528-L1531 PolarHBondContact O-N 3.04Å; L1531-N1533 PolarHBondContact O-N 3.08Å; L1531-M1534 HydrophobicContact CB-CG 4.49Å; L1531-M1534 WeakPolarHBondContact O-CG 3.29Å; L1531-M1534 PolarHBondContact O-N 3.08Å; L1531-L1540 HydrophobicContact CD1-CD1 4.22Å; L1531-L1540 HydrophobicContact CD1-CD2 3.61Å; L1531-L1540 HydrophobicContact CD1-CG 4.48Å; L1531-L1556 HydrophobicContact CD1-CD2 4.25Å; L1531-L1559 VanDerWaalsContact O-CD2 3.24Å; L1531-L1559 WeakPolarHBondContact O-CD2 3.45Å |
| 1532 | N | 89.4 | Confident | 93 | Very high | 51.4 Ų | 51.4 | 39.8 Ų | 39.8 | 28% | 0.275 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 132.6 | -179.3 | -170.6 | 13.4 | 0 | 0 | 0 | 111.7 | K1510 N1528 A1530 I1557 | K1510-N1532 VanDerWaalsContact CE-O 3.24Å; K1510-N1532 WeakPolarHBondContact CE-O 3.4Å; N1528-N1532 PolarHBondContact O-N 3.22Å; A1530-N1532 VanDerWaalsContact C-N 3.32Å; A1530-N1532 PolarHBondContact O-N 2.79Å; N1532-I1557 WeakPolarHBondContact OD1-CG2 3.39Å; N1532-I1557 PolarHBondContact OD1-O 3.14Å |
| 1533 | N | 85.6 | Confident | 93.1 | Very high | 73.2 Ų | 73.2 | 36.4 Ų | 36.4 | 39% | 0.391 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 33.4 | -175.9 | -51.4 | -30.1 | 0 | 0 | 0 | 115.3 | K1510 L1531 E1535 N1558 | K1510-N1533 WeakPolarHBondContact CB-O 3.49Å; L1531-N1533 PolarHBondContact O-N 3.08Å; N1533-E1535 VanDerWaalsContact C-N 3.34Å; N1533-E1535 PolarHBondContact O-N 3.15Å; N1533-E1535 VanDerWaalsContact O-N 3.12Å; N1533-N1558 WeakPolarHBondContact CA-O 3.36Å; N1533-N1558 PolarHBondContact N-O 3.09Å; N1533-N1558 WeakPolarHBondContact OD1-CB 3.03Å; N1533-N1558 PolarHBondContact OD1-ND2 2.92Å |
| 1534 | M | 91.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -81 | 83 | 169 | -56.1 | -85 | -70.8 | 0 | 0 | 109.5 | F1506 K1510 L1513 L1531 E1536 L1537 L1559 | F1506-M1534 HydrophobicContact CB-CE 4.15Å; F1506-M1534 HydrophobicContact CB-SD 3.88Å; F1506-M1534 HydrophobicContact CD2-CE 4.31Å; F1506-M1534 HydrophobicContact CG-CE 4.3Å; F1506-M1534 HydrophobicContact CG-SD 4.48Å; K1510-M1534 HydrophobicContact CB-SD 4.18Å; K1510-M1534 HydrophobicContact CD-SD 4.49Å; K1510-M1534 HydrophobicContact CG-CG 4.29Å; K1510-M1534 HydrophobicContact CG-SD 3.43Å; K1510-M1534 WeakPolarHBondContact CG-SD 3.25Å; K1510-M1534 CarbonylContact O-C 3.5Å; K1510-M1534 WeakPolarHBondContact O-CA 3.34Å; L1513-M1534 HydrophobicContact CB-CE 3.84Å; L1513-M1534 HydrophobicContact CD2-CE 3.45Å; L1513-M1534 VanDerWaalsContact CD2-CE 3.43Å; L1513-M1534 HydrophobicContact CG-CE 4.21Å; L1531-M1534 HydrophobicContact CB-CG 4.49Å; L1531-M1534 WeakPolarHBondContact O-CG 3.29Å; L1531-M1534 PolarHBondContact O-N 3.08Å; M1534-E1536 VanDerWaalsContact C-N 3.28Å; M1534-E1536 PolarHBondContact O-N 3.07Å; M1534-E1536 VanDerWaalsContact O-N 3.1Å; M1534-L1537 HydrophobicContact CB-CB 3.84Å; M1534-L1537 HydrophobicContact CB-CD2 4.23Å; M1534-L1537 PolarHBondContact O-N 3.13Å; M1534-L1537 VanDerWaalsContact O-N 3.16Å; M1534-L1559 HydrophobicContact CB-CD2 3.65Å; M1534-L1559 HydrophobicContact CG-CD2 4.23Å | ||
| 1535 | E | 88.8 | Confident | 93.3 | Very high | 87.6 Ų | 87.6 | 33.4 Ų | 33.4 | 41% | 0.409 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -24.8 | -169.7 | -65.2 | -179.3 | 179 | 0 | 0 | 115 | K1510 N1511 N1533 K1561 | K1510-E1535 PolarHBondContact O-N 3.11Å; N1511-E1535 PolarHBondContact ND2-OE1 3.41Å; N1511-E1535 PolarHBondContact ND2-OE2 3.08Å; N1533-E1535 VanDerWaalsContact C-N 3.34Å; N1533-E1535 PolarHBondContact O-N 3.15Å; N1533-E1535 VanDerWaalsContact O-N 3.12Å; E1535-K1561 WeakPolarHBondContact O-CD 3.43Å; E1535-K1561 VanDerWaalsContact O-CE 3.31Å; E1535-K1561 WeakPolarHBondContact O-CE 3.33Å; E1535-K1561 WeakPolarHBondContact O-CG 3.3Å |
| 1536 | E | 92.6 | Very high | 93.4 | Very high | 43.8 Ų | 43.8 | 29.7 Ų | 29.7 | 21% | 0.205 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -5.6 | -174.6 | -72.3 | -57 | 146.6 | 0 | 0 | 114.5 | N1511 L1513 Q1514 M1534 Q1538 K1561 | N1511-E1536 VanDerWaalsContact O-CG 3.28Å; N1511-E1536 WeakPolarHBondContact O-CG 3.31Å; L1513-E1536 CarbonylContact O-C 3.46Å; Q1514-E1536 WeakPolarHBondContact CA-O 3.41Å; Q1514-E1536 HydrophobicContact CG-CB 4.1Å; Q1514-E1536 PolarHBondContact NE2-OE2 2.65Å; Q1514-E1536 VanDerWaalsContact NE2-OE2 3.16Å; M1534-E1536 VanDerWaalsContact C-N 3.28Å; M1534-E1536 PolarHBondContact O-N 3.07Å; M1534-E1536 VanDerWaalsContact O-N 3.1Å; E1536-Q1538 PolarHBondContact O-N 3.08Å; E1536-Q1538 PolarHBondContact O-NE2 3.22Å; E1536-K1561 WeakPolarHBondContact OE1-CE 3.25Å; E1536-K1561 IonicContact OE1-NZ 2.9Å; E1536-K1561 PolarHBondContact OE1-NZ 2.94Å; E1536-K1561 VanDerWaalsContact OE2-CD 3.27Å; E1536-K1561 WeakPolarHBondContact OE2-CD 3.43Å; E1536-K1561 WeakPolarHBondContact OE2-CE 3.27Å; E1536-K1561 IonicContact OE2-NZ 3.22Å; E1536-K1561 PolarHBondContact OE2-NZ 3.08Å |
| 1537 | L | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -70.9 | 121.8 | -171.8 | -171 | 69.1 | 0 | 0 | 0 | 111.3 | L1513 L1516 M1534 L1540 L1559 K1561 L1562 | L1513-L1537 HydrophobicContact CD2-CD1 4.35Å; L1513-L1537 HydrophobicContact CG-CD1 4.33Å; L1513-L1537 VanDerWaalsContact O-CA 3.29Å; L1513-L1537 WeakPolarHBondContact O-CA 3.26Å; L1513-L1537 PolarHBondContact O-N 3.08Å; L1513-L1537 VanDerWaalsContact O-N 3.13Å; L1516-L1537 HydrophobicContact CB-CD1 4.01Å; M1534-L1537 HydrophobicContact CB-CB 3.84Å; M1534-L1537 HydrophobicContact CB-CD2 4.23Å; M1534-L1537 PolarHBondContact O-N 3.13Å; M1534-L1537 VanDerWaalsContact O-N 3.16Å; L1537-L1540 HydrophobicContact CD2-CB 4.46Å; L1537-L1559 HydrophobicContact CB-CD2 4.33Å; L1537-L1559 HydrophobicContact CD2-CD1 4.33Å; L1537-L1559 HydrophobicContact CD2-CD2 4.05Å; L1537-K1561 CarbonylContact O-C 3.38Å; L1537-L1562 HydrophobicContact CD2-CD1 4.35Å; L1537-L1562 HydrophobicContact CG-CD1 4.3Å; L1537-L1562 VanDerWaalsContact O-CA 3.28Å; L1537-L1562 WeakPolarHBondContact O-CA 3.23Å; L1537-L1562 PolarHBondContact O-N 3.03Å; L1537-L1562 VanDerWaalsContact O-N 3.13Å | ||
| 1538 | Q | 94.7 | Very high | 93.5 | Very high | 48.2 Ų | 48.2 | 30.2 Ų | 30.2 | 23% | 0.225 | 16% | 0.164 | C | C | . | . | trans | -110.7 | -42.1 | -178.5 | -77.2 | 148.2 | 86.9 | 0 | 0 | 112.1 | Q1514 E1536 K1561 L1562 T1563 D1564 | Q1514-Q1538 WeakPolarHBondContact O-CA 3.37Å; Q1514-Q1538 WeakPolarHBondContact O-CB 3.32Å; Q1514-Q1538 PolarHBondContact O-N 3.02Å; E1536-Q1538 PolarHBondContact O-N 3.08Å; E1536-Q1538 PolarHBondContact O-NE2 3.22Å; Q1538-K1561 WeakPolarHBondContact CA-O 3.46Å; Q1538-K1561 HydrophobicContact CG-CB 4.02Å; Q1538-K1561 WeakPolarHBondContact CG-O 3.28Å; Q1538-L1562 CarbonylContact O-C 3.39Å; Q1538-L1562 WeakPolarHBondContact O-CD1 3.39Å; Q1538-T1563 PolarHBondContact O-N 2.95Å; Q1538-T1563 PolarHBondContact O-OG1 3Å; Q1538-T1563 VanDerWaalsContact O-OG1 3.08Å; Q1538-D1564 PolarHBondContact O-N 3.19Å | ||
| 1539 | H | 96.4 | Very high | 93.7 | Very high | 59 Ų | 59 | 33.9 Ų | 33.9 | 27% | 0.273 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 126.1 | -178.1 | -47.4 | -46.8 | 0 | 0 | 0 | 110.9 | Q1514 T1515 L1516 T1563 D1564 Y1957 | Q1514-H1539 PolarHBondContact O-N 3.15Å; Q1514-H1539 VanDerWaalsContact O-N 3.13Å; T1515-H1539 CarbonylContact C-O 3.54Å; T1515-H1539 WeakPolarHBondContact CA-O 3.29Å; T1515-H1539 HydrophobicContact CG2-CB 4.09Å; T1515-H1539 PolarHBondContact OG1-CD2 2.95Å; L1516-H1539 PolarHBondContact N-O 2.92Å; L1516-H1539 VanDerWaalsContact N-O 3.11Å; H1539-T1563 PolarHBondContact CE1-OG1 3.05Å; H1539-T1563 PolarHBondContact ND1-OG1 2.79Å; H1539-D1564 CarbonylContact C-O 3.58Å; H1539-D1564 WeakPolarHBondContact CA-O 3Å; H1539-D1564 HydrophobicContact CB-CB 4.43Å; H1539-D1564 IonicContact CE1-OD2 2.92Å; H1539-D1564 PolarHBondContact CE1-OD2 3.02Å; H1539-D1564 VanDerWaalsContact CE1-OD2 3.23Å; H1539-D1564 IonicContact CG-OD2 2.69Å; H1539-D1564 IonicContact ND1-OD2 3.16Å; H1539-D1564 PolarHBondContact ND1-OD2 3.22Å; H1539-D1564 VanDerWaalsContact ND1-OD2 3.14Å; H1539-Y1957 AromaticContact CE1-CZ 3.95Å |
| 1540 | L | 96.5 | Very high | 93.8 | Very high | 3.6 Ų | 3.6 | 29 Ų | 29 | 2% | 0.019 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 117.8 | 176.9 | 177.1 | 59.2 | 0 | 0 | 0 | 110.1 | L1516 L1531 L1537 L1542 L1556 L1562 D1564 L1565 N1566 | L1516-L1540 HydrophobicContact CB-CD1 4.11Å; L1516-L1540 HydrophobicContact CD2-CD1 4.02Å; L1516-L1540 HydrophobicContact CG-CD1 4.17Å; L1516-L1540 CarbonylContact O-C 3.33Å; L1516-L1540 WeakPolarHBondContact O-CA 3.13Å; L1531-L1540 HydrophobicContact CD1-CD1 4.22Å; L1531-L1540 HydrophobicContact CD1-CD2 3.61Å; L1531-L1540 HydrophobicContact CD1-CG 4.48Å; L1537-L1540 HydrophobicContact CD2-CB 4.46Å; L1540-L1542 HydrophobicContact CD1-CD1 4.23Å; L1540-L1542 HydrophobicContact CD1-CG 4.11Å; L1540-L1542 HydrophobicContact CD2-CD1 3.92Å; L1540-L1542 HydrophobicContact CG-CD1 3.98Å; L1540-L1542 HydrophobicContact CG-CG 4.18Å; L1540-L1556 HydrophobicContact CD2-CD1 4.28Å; L1540-L1556 HydrophobicContact CD2-CD2 4.33Å; L1540-L1562 HydrophobicContact CB-CD1 3.78Å; L1540-D1564 PolarHBondContact N-O 2.88Å; L1540-L1565 HydrophobicContact CB-CD1 4.25Å; L1540-L1565 HydrophobicContact CD2-CD1 3.93Å; L1540-L1565 HydrophobicContact CG-CD1 4.09Å; L1540-L1565 CarbonylContact O-C 3.24Å; L1540-L1565 WeakPolarHBondContact O-CA 3.25Å; L1540-N1566 PolarHBondContact O-N 3.2Å |
| 1541 | D | 97.3 | Very high | 93.7 | Very high | 33 Ų | 33 | 31.9 Ų | 31.9 | 18% | 0.176 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 119.3 | 174.7 | -156.6 | -38.8 | 0 | 0 | 0 | 111.3 | L1516 L1517 L1518 X1519 S1543 N1566 | L1516-D1541 PolarHBondContact O-N 3.14Å; L1517-D1541 CarbonylContact C-O 3.35Å; L1517-D1541 HydrophobicContact CB-CB 4.32Å; L1517-D1541 HydrophobicContact CD2-CB 3.59Å; L1517-D1541 VanDerWaalsContact CD2-CB 3.41Å; L1517-D1541 HydrophobicContact CG-CB 4.44Å; L1518-D1541 CarbonylContact C-O 3.41Å; L1518-D1541 WeakPolarHBondContact CA-O 3.28Å; L1518-D1541 WeakPolarHBondContact CB-O 3.38Å; L1518-D1541 PolarHBondContact N-O 3Å; A1519-D1541 PolarHBondContact N-O 3.22Å; D1541-S1543 VanDerWaalsContact OD1-CB 3.28Å; D1541-S1543 WeakPolarHBondContact OD1-CB 3.26Å; D1541-S1543 PolarHBondContact OD1-N 3.16Å; D1541-S1543 PolarHBondContact OD1-OG 3.04Å; D1541-N1566 HydrophobicContact CB-CB 4.34Å; D1541-N1566 VanDerWaalsContact CG-ND2 3.27Å; D1541-N1566 PolarHBondContact OD1-ND2 3.09Å; D1541-N1566 VanDerWaalsContact OD1-ND2 3.11Å; D1541-N1566 PolarHBondContact OD2-ND2 3.02Å |
| 1542 | L | 96.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -126.5 | 21.8 | 178.6 | -72.5 | 165.5 | 0 | 0 | 0 | 110.3 | L1518 L1523 L1526 P1527 L1540 N1545 I1547 N1566 L1567 N1570 | L1518-L1542 HydrophobicContact CB-CD2 3.88Å; L1518-L1542 HydrophobicContact CD1-CD2 3.91Å; L1518-L1542 HydrophobicContact CG-CD2 4.4Å; L1523-L1542 HydrophobicContact CD1-CD2 3.59Å; L1526-L1542 HydrophobicContact CD2-CD1 3.85Å; P1527-L1542 HydrophobicContact CG-CD2 4.14Å; L1540-L1542 HydrophobicContact CD1-CD1 4.23Å; L1540-L1542 HydrophobicContact CD1-CG 4.11Å; L1540-L1542 HydrophobicContact CD2-CD1 3.92Å; L1540-L1542 HydrophobicContact CG-CD1 3.98Å; L1540-L1542 HydrophobicContact CG-CG 4.18Å; L1542-N1545 WeakPolarHBondContact O-CB 3.48Å; L1542-N1545 PolarHBondContact O-ND2 3.18Å; L1542-I1547 HydrophobicContact CB-CD1 4.02Å; L1542-I1547 HydrophobicContact CD2-CD1 4.38Å; L1542-N1566 CarbonylContact C-O 3.42Å; L1542-N1566 WeakPolarHBondContact CA-O 2.77Å; L1542-N1566 PolarHBondContact N-O 3.23Å; L1542-L1567 HydrophobicContact CB-CD2 3.84Å; L1542-L1567 HydrophobicContact CD1-CD2 4.08Å; L1542-N1570 PolarHBondContact O-ND2 3.23Å | ||
| 1543 | S | 96.8 | Very high | 93.1 | Very high | 14.2 Ų | 14.2 | 40.2 Ų | 40.2 | 10% | 0.099 | 22% | 0.218 | C | C | . | . | trans | -72.4 | 164.1 | -177.3 | 60.4 | 0 | 0 | 0 | 0 | 113.6 | X1519 G1520 D1541 N1545 N1566 A1568 | A1519-S1543 CarbonylContact C-O 3.45Å; A1519-S1543 WeakPolarHBondContact CA-O 3.37Å; G1520-S1543 PolarHBondContact N-O 3.21Å; D1541-S1543 VanDerWaalsContact OD1-CB 3.28Å; D1541-S1543 WeakPolarHBondContact OD1-CB 3.26Å; D1541-S1543 PolarHBondContact OD1-N 3.16Å; D1541-S1543 PolarHBondContact OD1-OG 3.04Å; S1543-N1545 PolarHBondContact O-N 2.98Å; S1543-N1545 VanDerWaalsContact O-N 3.15Å; S1543-N1545 PolarHBondContact O-ND2 3.23Å; S1543-N1566 WeakPolarHBondContact CB-ND2 3.26Å; S1543-N1566 PolarHBondContact N-O 3.27Å; S1543-N1566 PolarHBondContact OG-ND2 3.12Å; S1543-N1566 VanDerWaalsContact OG-ND2 3.14Å; S1543-A1568 CarbonylContact C-O 3.44Å; S1543-A1568 WeakPolarHBondContact CA-O 3.22Å; S1543-A1568 WeakPolarHBondContact CB-O 3.24Å | ||
| 1544 | S | 96.6 | Very high | 92.9 | Very high | 51.8 Ų | 51.8 | 37.9 Ų | 37.9 | 36% | 0.362 | 21% | 0.205 | S | C | . | . | S | Bend | trans | 52.2 | 48.1 | 180 | -58.4 | 0 | 0 | 0 | 0 | 112.5 | G1520 N1521 A1568 D1569 | G1520-S1544 CarbonylContact C-O 3.52Å; G1520-S1544 WeakPolarHBondContact CA-O 3.26Å; G1520-S1544 PolarHBondContact N-O 3.02Å; N1521-S1544 PolarHBondContact N-O 3.06Å; S1544-A1568 PolarHBondContact N-O 3.13Å; S1544-D1569 CarbonylContact C-O 3.51Å; S1544-D1569 WeakPolarHBondContact CA-O 3.35Å; S1544-D1569 WeakPolarHBondContact CB-OD2 3.33Å; S1544-D1569 PolarHBondContact N-O 2.95Å; S1544-D1569 VanDerWaalsContact N-O 3.08Å; S1544-D1569 WeakPolarHBondContact OG-CB 3.31Å; S1544-D1569 PolarHBondContact OG-OD2 3.23Å |
| 1545 | N | 96.3 | Very high | 92.4 | Very high | 13.6 Ų | 13.6 | 40.1 Ų | 40.1 | 7% | 0.073 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -121.5 | -173.6 | -179.5 | -92.2 | -95 | 0 | 0 | 0 | 110.5 | L1518 N1521 Q1522 L1523 L1542 S1543 I1547 D1569 N1570 | L1518-N1545 PolarHBondContact O-ND2 2.82Å; N1521-N1545 WeakPolarHBondContact CA-OD1 3.29Å; N1521-N1545 VanDerWaalsContact CB-OD1 3.25Å; N1521-N1545 WeakPolarHBondContact CB-OD1 3.32Å; N1521-N1545 PolarHBondContact N-ND2 3.13Å; N1521-N1545 WeakPolarHBondContact O-CA 3.23Å; N1521-N1545 PolarHBondContact O-OD1 3.08Å; Q1522-N1545 PolarHBondContact N-OD1 3.14Å; L1523-N1545 HydrophobicContact CB-CB 4.46Å; L1523-N1545 VanDerWaalsContact CB-OD1 3.26Å; L1523-N1545 WeakPolarHBondContact CB-OD1 3.23Å; L1523-N1545 VanDerWaalsContact CG-OD1 3.27Å; L1523-N1545 WeakPolarHBondContact CG-OD1 3.21Å; L1523-N1545 PolarHBondContact N-OD1 3.18Å; L1523-N1545 VanDerWaalsContact N-OD1 3.08Å; L1542-N1545 WeakPolarHBondContact O-CB 3.48Å; L1542-N1545 PolarHBondContact O-ND2 3.18Å; S1543-N1545 PolarHBondContact O-N 2.98Å; S1543-N1545 VanDerWaalsContact O-N 3.15Å; S1543-N1545 PolarHBondContact O-ND2 3.23Å; N1545-I1547 HydrophobicContact CB-CD1 4.05Å; N1545-I1547 HydrophobicContact CB-CG1 4.13Å; N1545-D1569 PolarHBondContact N-O 3.06Å; N1545-D1569 VanDerWaalsContact N-O 3.08Å; N1545-N1570 VanDerWaalsContact CA-OD1 3.25Å; N1545-N1570 WeakPolarHBondContact CA-OD1 3.29Å; N1545-N1570 WeakPolarHBondContact CB-OD1 3.35Å; N1545-N1570 PolarHBondContact N-OD1 2.87Å; N1545-N1570 PolarHBondContact O-OD1 2.95Å |
| 1546 | G | 95.3 | Very high | 92.1 | Very high | 17 Ų | 17 | 36.1 Ų | 36.1 | 18% | 0.175 | 20% | 0.196 | C | C | . | . | trans | -97.4 | 12.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L1523 G1548 N1570 | L1523-G1546 CarbonylContact O-C 3.47Å; L1523-G1546 WeakPolarHBondContact O-CA 3.29Å; L1523-G1546 PolarHBondContact O-N 2.98Å; G1546-G1548 PolarHBondContact O-N 3.26Å; G1546-N1570 PolarHBondContact N-OD1 2.78Å | ||
| 1547 | I | 95.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -64.5 | 128.8 | -165.5 | -59.9 | 159.4 | 0 | 0 | 0 | 110.7 | L1523 K1524 L1526 L1542 N1545 L1567 N1570 K1571 I1572 | L1523-I1547 HydrophobicContact CB-CD1 4.37Å; L1523-I1547 HydrophobicContact CB-CG1 4.24Å; L1523-I1547 PolarHBondContact O-N 3.11Å; L1523-I1547 VanDerWaalsContact O-N 3.12Å; K1524-I1547 WeakPolarHBondContact O-CA 3.33Å; L1526-I1547 HydrophobicContact CD2-CD1 4.17Å; L1526-I1547 HydrophobicContact CD2-CG2 4.27Å; L1526-I1547 HydrophobicContact CG-CG2 4.39Å; L1542-I1547 HydrophobicContact CB-CD1 4.02Å; L1542-I1547 HydrophobicContact CD2-CD1 4.38Å; N1545-I1547 HydrophobicContact CB-CD1 4.05Å; N1545-I1547 HydrophobicContact CB-CG1 4.13Å; I1547-L1567 HydrophobicContact CD1-CD2 4.32Å; I1547-N1570 HydrophobicContact CB-CB 4.33Å; I1547-N1570 VanDerWaalsContact CB-OD1 3.29Å; I1547-N1570 WeakPolarHBondContact CB-OD1 3.32Å; I1547-N1570 WeakPolarHBondContact CG1-OD1 3.48Å; I1547-N1570 PolarHBondContact N-OD1 3.15Å; I1547-K1571 CarbonylContact O-C 3.31Å; I1547-K1571 VanDerWaalsContact O-C 3.26Å; I1547-K1571 VanDerWaalsContact O-CA 3.26Å; I1547-K1571 WeakPolarHBondContact O-CA 3.3Å; I1547-K1571 WeakPolarHBondContact O-CB 3.36Å; I1547-K1571 PolarHBondContact O-N 2.95Å; I1547-I1572 HydrophobicContact CG2-CG1 4.39Å; I1547-I1572 PolarHBondContact O-N 3.26Å | ||
| 1548 | G | 93.5 | Very high | 90.9 | Very high | 22.6 Ų | 22.6 | 40.8 Ų | 40.8 | 23% | 0.233 | 22% | 0.222 | C | C | . | . | trans | -85 | -151.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | K1524 G1546 I1550 I1572 | K1524-G1548 PolarHBondContact O-N 3.14Å; G1546-G1548 PolarHBondContact O-N 3.26Å; G1548-I1550 PolarHBondContact O-N 3.09Å; G1548-I1572 WeakPolarHBondContact O-CA 3.17Å; G1548-I1572 VanDerWaalsContact O-CG1 3.3Å; G1548-I1572 WeakPolarHBondContact O-CG1 3.22Å | ||
| 1549 | D | 93.8 | Very high | 90.7 | Very high | 84 Ų | 84 | 38.6 Ų | 38.6 | 45% | 0.449 | 21% | 0.212 | S | C | . | . | trans | -68.4 | 126.7 | 176.1 | -69.9 | -18.6 | 0 | 0 | 0 | 111.4 | D1551 C1573 A1574 | D1549-D1551 PolarHBondContact O-N 3Å; D1549-C1573 VanDerWaalsContact OD1-CA 3.26Å; D1549-C1573 WeakPolarHBondContact OD1-CA 3.37Å; D1549-C1573 VanDerWaalsContact OD1-CB 3.28Å; D1549-C1573 WeakPolarHBondContact OD1-CB 3.32Å; D1549-C1573 PolarHBondContact OD1-N 2.97Å; D1549-A1574 WeakPolarHBondContact CA-O 3.33Å; D1549-A1574 HydrophobicContact CB-CB 4.29Å; D1549-A1574 PolarHBondContact OD1-N 3.03Å | ||
| 1550 | I | 93.3 | Very high | 90.3 | Very high | 3.2 Ų | 3.2 | 38.8 Ų | 38.8 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -79.7 | 111 | -177.3 | -57.9 | 167.1 | 0 | 0 | 0 | 109.1 | L1526 G1548 E1554 L1567 I1572 A1574 V1575 H1576 A1579 F1580 | L1526-I1550 HydrophobicContact CD1-CB 4.42Å; L1526-I1550 HydrophobicContact CD1-CD1 4.06Å; L1526-I1550 HydrophobicContact CD1-CG1 4.04Å; L1526-I1550 HydrophobicContact CD1-CG2 3.76Å; L1526-I1550 HydrophobicContact CG-CD1 4.4Å; L1526-I1550 HydrophobicContact CG-CG1 4.34Å; G1548-I1550 PolarHBondContact O-N 3.09Å; I1550-E1554 HydrophobicContact CG2-CB 4.06Å; I1550-L1567 HydrophobicContact CD1-CD1 4.06Å; I1550-I1572 HydrophobicContact CD1-CD1 4.02Å; I1550-I1572 HydrophobicContact CD1-CG1 4.39Å; I1550-I1572 HydrophobicContact CD1-CG2 4.33Å; I1550-I1572 HydrophobicContact CG1-CG1 4.44Å; I1550-I1572 HydrophobicContact CG1-CG2 4.39Å; I1550-A1574 PolarHBondContact N-O 3.15Å; I1550-A1574 VanDerWaalsContact N-O 3.11Å; I1550-V1575 HydrophobicContact CB-CG1 4.35Å; I1550-V1575 HydrophobicContact CD1-CG1 4.42Å; I1550-V1575 HydrophobicContact CD1-CG2 4.39Å; I1550-V1575 HydrophobicContact CG2-CG1 4.44Å; I1550-H1576 WeakPolarHBondContact O-CB 3.27Å; I1550-H1576 PolarHBondContact O-N 3Å; I1550-A1579 HydrophobicContact CG2-CB 3.72Å; I1550-F1580 HydrophobicContact CD1-CZ 4.39Å |
| 1551 | D | 90.2 | Very high | 90.1 | Very high | 61.8 Ų | 61.8 | 42.6 Ų | 42.6 | 33% | 0.33 | 24% | 0.235 | S | C | . | . | trans | -89 | -165.2 | -173.7 | 91 | -26.8 | 0 | 0 | 0 | 114 | D1549 N1553 E1554 H1576 | D1549-D1551 PolarHBondContact O-N 3Å; D1551-N1553 VanDerWaalsContact C-N 3.31Å; D1551-N1553 VanDerWaalsContact CG-N 3.34Å; D1551-N1553 VanDerWaalsContact OD1-CA 3.31Å; D1551-N1553 WeakPolarHBondContact OD1-CA 3.28Å; D1551-N1553 WeakPolarHBondContact OD1-CB 3.15Å; D1551-N1553 PolarHBondContact OD1-N 3.15Å; D1551-N1553 PolarHBondContact OD2-N 3.19Å; D1551-N1553 PolarHBondContact OD2-ND2 3.31Å; D1551-E1554 PolarHBondContact OD1-N 2.89Å; D1551-H1576 VanDerWaalsContact C-CB 3.49Å; D1551-H1576 WeakPolarHBondContact O-CB 3.35Å | ||
| 1552 | E | 85 | Confident | 90 | Very high | 117.8 Ų | 117.8 | 41 Ų | 41 | 55% | 0.55 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -79.1 | -15.3 | 176.3 | 71 | -178 | 166.9 | 0 | 0 | 114.6 | Q1555 H1576 | E1552-Q1555 WeakPolarHBondContact O-CG 3.45Å; E1552-Q1555 PolarHBondContact O-NE2 3.22Å; E1552-H1576 WeakPolarHBondContact CA-ND1 3.37Å; E1552-H1576 VanDerWaalsContact CB-CE1 3.45Å; E1552-H1576 WeakPolarHBondContact CB-CE1 3.48Å; E1552-H1576 WeakPolarHBondContact CB-ND1 3.25Å |
| 1553 | N | 83.5 | Confident | 89.9 | Confident | 109 Ų | 109 | 41.9 Ų | 41.9 | 58% | 0.583 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -95 | -24.6 | -179 | -59.3 | -78.8 | 0 | 0 | 0 | 112.4 | N1528 D1551 Q1555 | N1528-N1553 PolarHBondContact ND2-O 3.12Å; D1551-N1553 VanDerWaalsContact C-N 3.31Å; D1551-N1553 VanDerWaalsContact CG-N 3.34Å; D1551-N1553 VanDerWaalsContact OD1-CA 3.31Å; D1551-N1553 WeakPolarHBondContact OD1-CA 3.28Å; D1551-N1553 WeakPolarHBondContact OD1-CB 3.15Å; D1551-N1553 PolarHBondContact OD1-N 3.15Å; D1551-N1553 PolarHBondContact OD2-N 3.19Å; D1551-N1553 PolarHBondContact OD2-ND2 3.31Å; N1553-Q1555 VanDerWaalsContact C-N 3.26Å; N1553-Q1555 PolarHBondContact O-N 3.01Å |
| 1554 | E | 81.4 | Confident | 89.8 | Confident | 26.4 Ų | 26.4 | 42.8 Ų | 42.8 | 12% | 0.123 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -80.4 | 8 | 178.7 | -75.7 | -168.2 | -148.8 | 0 | 0 | 114.8 | E1525 L1526 N1528 I1550 D1551 L1556 | E1525-E1554 HydrophobicContact CB-CG 4.46Å; E1525-E1554 VanDerWaalsContact CB-OE1 3.28Å; E1525-E1554 WeakPolarHBondContact CB-OE1 3.33Å; L1526-E1554 HydrophobicContact CB-CB 4.24Å; L1526-E1554 HydrophobicContact CB-CG 4.44Å; L1526-E1554 WeakPolarHBondContact CB-OE2 3.23Å; L1526-E1554 HydrophobicContact CD1-CB 4.29Å; L1526-E1554 WeakPolarHBondContact CD1-O 3.15Å; L1526-E1554 HydrophobicContact CG-CB 4.44Å; L1526-E1554 WeakPolarHBondContact CG-OE2 3.28Å; L1526-E1554 PolarHBondContact N-OE2 2.97Å; N1528-E1554 WeakPolarHBondContact CB-O 3.25Å; N1528-E1554 VanDerWaalsContact ND2-C 3.26Å; N1528-E1554 WeakPolarHBondContact ND2-CA 3.29Å; N1528-E1554 PolarHBondContact ND2-O 2.76Å; I1550-E1554 HydrophobicContact CG2-CB 4.06Å; D1551-E1554 PolarHBondContact OD1-N 2.89Å; E1554-L1556 PolarHBondContact O-N 3.12Å |
| 1555 | Q | 81.4 | Confident | 89.8 | Confident | 46 Ų | 46 | 40.4 Ų | 40.4 | 22% | 0.215 | 22% | 0.219 | C | C | . | . | trans | -49.7 | 133.7 | 177.6 | -70.2 | 178.4 | 47 | 0 | 0 | 113.1 | N1528 E1552 N1553 I1557 A1579 | N1528-Q1555 VanDerWaalsContact CB-O 3.3Å; N1528-Q1555 WeakPolarHBondContact CB-O 3.25Å; N1528-Q1555 PolarHBondContact ND2-N 3.08Å; N1528-Q1555 PolarHBondContact ND2-O 3.08Å; E1552-Q1555 WeakPolarHBondContact O-CG 3.45Å; E1552-Q1555 PolarHBondContact O-NE2 3.22Å; N1553-Q1555 VanDerWaalsContact C-N 3.26Å; N1553-Q1555 PolarHBondContact O-N 3.01Å; Q1555-I1557 HydrophobicContact CB-CD1 4.49Å; Q1555-I1557 HydrophobicContact CB-CG1 4.2Å; Q1555-I1557 WeakPolarHBondContact O-CG1 3.31Å; Q1555-I1557 PolarHBondContact O-N 3.05Å; Q1555-I1557 VanDerWaalsContact O-N 3.13Å; Q1555-A1579 WeakPolarHBondContact CA-O 3.33Å | ||
| 1556 | L | 82.4 | Confident | 89.8 | Confident | 2.2 Ų | 2.2 | 41.4 Ų | 41.4 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | trans | -77.4 | 93.6 | 174 | -69.4 | 177.9 | 0 | 0 | 0 | 110.7 | L1526 N1528 L1531 L1540 E1554 L1559 L1562 L1565 A1579 V1583 | L1526-L1556 HydrophobicContact CD1-CD2 4.46Å; L1526-L1556 HydrophobicContact CD1-CG 4.41Å; N1528-L1556 HydrophobicContact CB-CD2 4.23Å; L1531-L1556 HydrophobicContact CD1-CD2 4.25Å; L1540-L1556 HydrophobicContact CD2-CD1 4.28Å; L1540-L1556 HydrophobicContact CD2-CD2 4.33Å; E1554-L1556 PolarHBondContact O-N 3.12Å; L1556-L1559 HydrophobicContact CB-CD1 4.13Å; L1556-L1559 HydrophobicContact CD2-CD1 4.38Å; L1556-L1562 HydrophobicContact CD1-CD2 4.4Å; L1556-L1565 HydrophobicContact CD1-CD1 4.12Å; L1556-L1565 HydrophobicContact CD1-CD2 3.57Å; L1556-L1565 VanDerWaalsContact CD1-CD2 3.5Å; L1556-L1565 HydrophobicContact CD1-CG 4.42Å; L1556-A1579 PolarHBondContact N-O 3.06Å; L1556-A1579 VanDerWaalsContact N-O 3.09Å; L1556-V1583 HydrophobicContact CB-CG1 4.44Å | ||
| 1557 | I | 81.2 | Confident | 89.9 | Confident | 72.8 Ų | 72.8 | 40.6 Ų | 40.6 | 37% | 0.373 | 22% | 0.215 | S | C | . | . | trans | -87.6 | 134.6 | -172.9 | -63.1 | 163.8 | 0 | 0 | 0 | 111.7 | N1532 Q1555 L1559 | N1532-I1557 WeakPolarHBondContact OD1-CG2 3.39Å; N1532-I1557 PolarHBondContact OD1-O 3.14Å; Q1555-I1557 HydrophobicContact CB-CD1 4.49Å; Q1555-I1557 HydrophobicContact CB-CG1 4.2Å; Q1555-I1557 WeakPolarHBondContact O-CG1 3.31Å; Q1555-I1557 PolarHBondContact O-N 3.05Å; Q1555-I1557 VanDerWaalsContact O-N 3.13Å; I1557-L1559 PolarHBondContact O-N 3.32Å | ||
| 1558 | N | 80.2 | Confident | 90 | Very high | 70.6 Ų | 70.6 | 41.1 Ų | 41.1 | 38% | 0.378 | 22% | 0.22 | S | C | . | . | trans | 49.2 | 60.3 | 171.7 | -162.1 | 29.3 | 0 | 0 | 0 | 115.3 | N1533 P1560 | N1533-N1558 WeakPolarHBondContact CA-O 3.36Å; N1533-N1558 PolarHBondContact N-O 3.09Å; N1533-N1558 WeakPolarHBondContact OD1-CB 3.03Å; N1533-N1558 PolarHBondContact OD1-ND2 2.92Å; N1558-P1560 VanDerWaalsContact C-CD 3.45Å; N1558-P1560 VanDerWaalsContact O-CD 3.28Å; N1558-P1560 WeakPolarHBondContact O-CD 3.38Å | ||
| 1559 | L | 90.5 | Very high | 90.1 | Very high | 1.4 Ų | 1.4 | 42.4 Ų | 42.4 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | trans | -112.1 | 71.8 | 169.5 | -62.7 | 179.7 | 0 | 0 | 0 | 110.1 | L1531 M1534 L1537 L1556 I1557 K1561 L1562 V1583 | L1531-L1559 VanDerWaalsContact O-CD2 3.24Å; L1531-L1559 WeakPolarHBondContact O-CD2 3.45Å; M1534-L1559 HydrophobicContact CB-CD2 3.65Å; M1534-L1559 HydrophobicContact CG-CD2 4.23Å; L1537-L1559 HydrophobicContact CB-CD2 4.33Å; L1537-L1559 HydrophobicContact CD2-CD1 4.33Å; L1537-L1559 HydrophobicContact CD2-CD2 4.05Å; L1556-L1559 HydrophobicContact CB-CD1 4.13Å; L1556-L1559 HydrophobicContact CD2-CD1 4.38Å; I1557-L1559 PolarHBondContact O-N 3.32Å; L1559-K1561 PolarHBondContact O-N 3.06Å; L1559-L1562 HydrophobicContact CB-CB 3.94Å; L1559-L1562 HydrophobicContact CD1-CD2 3.97Å; L1559-L1562 PolarHBondContact O-N 3.08Å; L1559-L1562 VanDerWaalsContact O-N 3.12Å; L1559-V1583 HydrophobicContact CB-CG1 3.98Å; L1559-V1583 HydrophobicContact CD1-CG1 4.44Å | ||
| 1560 | P | 88.5 | Confident | 90.3 | Very high | 63 Ų | 63 | 39.1 Ų | 39.1 | 41% | 0.409 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 3.8 | -163.4 | 31.7 | -39.1 | 0 | 0 | 0 | 115.4 | N1558 T1586 | N1558-P1560 VanDerWaalsContact C-CD 3.45Å; N1558-P1560 VanDerWaalsContact O-CD 3.28Å; N1558-P1560 WeakPolarHBondContact O-CD 3.38Å; P1560-T1586 WeakPolarHBondContact O-CG2 3.28Å |
| 1561 | K | 92.4 | Very high | 90.4 | Very high | 83.2 Ų | 83.2 | 45.4 Ų | 45.4 | 36% | 0.362 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -130.1 | 5.1 | 175.9 | -62 | -171.1 | -168.3 | 177.2 | 0 | 113.9 | E1535 E1536 L1537 Q1538 L1559 T1563 | E1535-K1561 WeakPolarHBondContact O-CD 3.43Å; E1535-K1561 VanDerWaalsContact O-CE 3.31Å; E1535-K1561 WeakPolarHBondContact O-CE 3.33Å; E1535-K1561 WeakPolarHBondContact O-CG 3.3Å; E1536-K1561 WeakPolarHBondContact OE1-CE 3.25Å; E1536-K1561 IonicContact OE1-NZ 2.9Å; E1536-K1561 PolarHBondContact OE1-NZ 2.94Å; E1536-K1561 VanDerWaalsContact OE2-CD 3.27Å; E1536-K1561 WeakPolarHBondContact OE2-CD 3.43Å; E1536-K1561 WeakPolarHBondContact OE2-CE 3.27Å; E1536-K1561 IonicContact OE2-NZ 3.22Å; E1536-K1561 PolarHBondContact OE2-NZ 3.08Å; L1537-K1561 CarbonylContact O-C 3.38Å; Q1538-K1561 WeakPolarHBondContact CA-O 3.46Å; Q1538-K1561 HydrophobicContact CG-CB 4.02Å; Q1538-K1561 WeakPolarHBondContact CG-O 3.28Å; L1559-K1561 PolarHBondContact O-N 3.06Å; K1561-T1563 PolarHBondContact O-N 3.04Å; K1561-T1563 VanDerWaalsContact O-N 3.12Å |
| 1562 | L | 94.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -65.7 | 114.3 | -175.9 | -170.5 | 76.9 | 0 | 0 | 0 | 110.3 | L1537 Q1538 L1540 L1556 L1559 L1565 V1583 T1586 L1587 | L1537-L1562 HydrophobicContact CD2-CD1 4.35Å; L1537-L1562 HydrophobicContact CG-CD1 4.3Å; L1537-L1562 VanDerWaalsContact O-CA 3.28Å; L1537-L1562 WeakPolarHBondContact O-CA 3.23Å; L1537-L1562 PolarHBondContact O-N 3.03Å; L1537-L1562 VanDerWaalsContact O-N 3.13Å; Q1538-L1562 CarbonylContact O-C 3.39Å; Q1538-L1562 WeakPolarHBondContact O-CD1 3.39Å; L1540-L1562 HydrophobicContact CB-CD1 3.78Å; L1556-L1562 HydrophobicContact CD1-CD2 4.4Å; L1559-L1562 HydrophobicContact CB-CB 3.94Å; L1559-L1562 HydrophobicContact CD1-CD2 3.97Å; L1559-L1562 PolarHBondContact O-N 3.08Å; L1559-L1562 VanDerWaalsContact O-N 3.12Å; L1562-L1565 HydrophobicContact CD2-CB 4.39Å; L1562-V1583 HydrophobicContact CB-CB 4.46Å; L1562-V1583 HydrophobicContact CB-CG1 4.37Å; L1562-V1583 HydrophobicContact CD2-CB 4.43Å; L1562-V1583 HydrophobicContact CD2-CG1 4.04Å; L1562-T1586 PolarHBondContact N-OG1 3.21Å; L1562-T1586 CarbonylContact O-C 3.22Å; L1562-T1586 VanDerWaalsContact O-C 3.26Å; L1562-T1586 VanDerWaalsContact O-CB 3.26Å; L1562-T1586 WeakPolarHBondContact O-CB 3.25Å; L1562-T1586 PolarHBondContact O-OG1 3.22Å; L1562-L1587 HydrophobicContact CB-CD1 4.45Å; L1562-L1587 HydrophobicContact CD2-CD1 3.88Å; L1562-L1587 HydrophobicContact CG-CD1 3.89Å; L1562-L1587 VanDerWaalsContact O-CA 3.26Å; L1562-L1587 WeakPolarHBondContact O-CA 3.37Å; L1562-L1587 PolarHBondContact O-N 2.97Å; L1562-L1587 VanDerWaalsContact O-N 3.1Å | ||
| 1563 | T | 94.6 | Very high | 91.3 | Very high | 18.8 Ų | 18.8 | 39.9 Ų | 39.9 | 12% | 0.115 | 21% | 0.21 | C | C | . | . | trans | -102.7 | -29.6 | 177.8 | 52.8 | 0 | 0 | 0 | 0 | 112.2 | Q1538 H1539 K1561 Q1588 T1589 Y1957 | Q1538-T1563 PolarHBondContact O-N 2.95Å; Q1538-T1563 PolarHBondContact O-OG1 3Å; Q1538-T1563 VanDerWaalsContact O-OG1 3.08Å; H1539-T1563 PolarHBondContact CE1-OG1 3.05Å; H1539-T1563 PolarHBondContact ND1-OG1 2.79Å; K1561-T1563 PolarHBondContact O-N 3.04Å; K1561-T1563 VanDerWaalsContact O-N 3.12Å; T1563-Q1588 HydrophobicContact CG2-CG 4.25Å; T1563-Q1588 CarbonylContact O-C 3.39Å; T1563-Q1588 WeakPolarHBondContact O-CA 3.34Å; T1563-Q1588 PolarHBondContact O-N 3.17Å; T1563-T1589 PolarHBondContact O-N 3.16Å; T1563-Y1957 VanDerWaalsContact CB-CD1 3.43Å; T1563-Y1957 HydrophobicContact CG2-CD1 3.73Å; T1563-Y1957 HydrophobicContact CG2-CE1 4.4Å; T1563-Y1957 WeakPolarHBondContact OG1-CD1 3.45Å; T1563-Y1957 WeakPolarHBondContact OG1-CE1 3.46Å | ||
| 1564 | D | 95.4 | Very high | 91.8 | Very high | 34 Ų | 34 | 37 Ų | 37 | 18% | 0.182 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 124.8 | -171.9 | -56.1 | -92.6 | 0 | 0 | 0 | 111.2 | Q1538 H1539 L1540 T1589 Y1957 | Q1538-D1564 PolarHBondContact O-N 3.19Å; H1539-D1564 CarbonylContact C-O 3.58Å; H1539-D1564 WeakPolarHBondContact CA-O 3Å; H1539-D1564 HydrophobicContact CB-CB 4.43Å; H1539-D1564 IonicContact CE1-OD2 2.92Å; H1539-D1564 PolarHBondContact CE1-OD2 3.02Å; H1539-D1564 VanDerWaalsContact CE1-OD2 3.23Å; H1539-D1564 IonicContact CG-OD2 2.69Å; H1539-D1564 IonicContact ND1-OD2 3.16Å; H1539-D1564 PolarHBondContact ND1-OD2 3.22Å; H1539-D1564 VanDerWaalsContact ND1-OD2 3.14Å; L1540-D1564 PolarHBondContact N-O 2.88Å; D1564-T1589 WeakPolarHBondContact CA-O 3.01Å; D1564-T1589 WeakPolarHBondContact CA-OG1 3.43Å; D1564-T1589 VanDerWaalsContact CB-OG1 3.27Å; D1564-T1589 WeakPolarHBondContact CB-OG1 3.25Å; D1564-T1589 WeakPolarHBondContact OD1-CB 3.34Å; D1564-T1589 WeakPolarHBondContact OD1-CG2 3.43Å; D1564-T1589 PolarHBondContact OD1-OG1 2.95Å; D1564-Y1957 VanDerWaalsContact CG-OH 3.28Å; D1564-Y1957 WeakPolarHBondContact OD1-CE1 3.37Å; D1564-Y1957 PolarHBondContact OD1-OH 3.05Å; D1564-Y1957 WeakPolarHBondContact OD2-CE1 3.3Å; D1564-Y1957 PolarHBondContact OD2-OH 3.22Å |
| 1565 | L | 96.4 | Very high | 92.4 | Very high | 1.6 Ų | 1.6 | 36.6 Ų | 36.6 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 109.1 | -180 | 178.3 | 57.4 | 0 | 0 | 0 | 110.2 | L1540 L1556 L1562 L1567 F1580 L1587 T1589 L1590 N1591 | L1540-L1565 HydrophobicContact CB-CD1 4.25Å; L1540-L1565 HydrophobicContact CD2-CD1 3.93Å; L1540-L1565 HydrophobicContact CG-CD1 4.09Å; L1540-L1565 CarbonylContact O-C 3.24Å; L1540-L1565 WeakPolarHBondContact O-CA 3.25Å; L1556-L1565 HydrophobicContact CD1-CD1 4.12Å; L1556-L1565 HydrophobicContact CD1-CD2 3.57Å; L1556-L1565 VanDerWaalsContact CD1-CD2 3.5Å; L1556-L1565 HydrophobicContact CD1-CG 4.42Å; L1562-L1565 HydrophobicContact CD2-CB 4.39Å; L1565-L1567 HydrophobicContact CD1-CD1 4.22Å; L1565-L1567 HydrophobicContact CD1-CD2 4.48Å; L1565-L1567 HydrophobicContact CD1-CG 4.05Å; L1565-L1567 HydrophobicContact CD2-CD1 3.89Å; L1565-L1567 HydrophobicContact CG-CD1 3.91Å; L1565-L1567 HydrophobicContact CG-CG 4.06Å; L1565-F1580 HydrophobicContact CD2-CD1 4.17Å; L1565-F1580 HydrophobicContact CD2-CE1 3.78Å; L1565-F1580 HydrophobicContact CD2-CZ 4.43Å; L1565-L1587 HydrophobicContact CB-CD1 3.78Å; L1565-L1587 HydrophobicContact CB-CD2 4.23Å; L1565-L1587 HydrophobicContact CB-CG 4.48Å; L1565-L1587 HydrophobicContact CD2-CD2 4.49Å; L1565-T1589 PolarHBondContact N-O 3.22Å; L1565-L1590 HydrophobicContact CB-CD1 4.27Å; L1565-L1590 HydrophobicContact CD2-CD1 3.98Å; L1565-L1590 HydrophobicContact CG-CD1 4.14Å; L1565-N1591 PolarHBondContact O-N 2.83Å |
| 1566 | N | 97.3 | Very high | 93 | Very high | 33.4 Ų | 33.4 | 36.6 Ų | 36.6 | 18% | 0.179 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 115 | 175.5 | -172.1 | 17.7 | 0 | 0 | 0 | 110.8 | L1540 D1541 L1542 S1543 A1568 N1591 | L1540-N1566 PolarHBondContact O-N 3.2Å; D1541-N1566 HydrophobicContact CB-CB 4.34Å; D1541-N1566 VanDerWaalsContact CG-ND2 3.27Å; D1541-N1566 PolarHBondContact OD1-ND2 3.09Å; D1541-N1566 VanDerWaalsContact OD1-ND2 3.11Å; D1541-N1566 PolarHBondContact OD2-ND2 3.02Å; L1542-N1566 CarbonylContact C-O 3.42Å; L1542-N1566 WeakPolarHBondContact CA-O 2.77Å; L1542-N1566 PolarHBondContact N-O 3.23Å; S1543-N1566 WeakPolarHBondContact CB-ND2 3.26Å; S1543-N1566 PolarHBondContact N-O 3.27Å; S1543-N1566 PolarHBondContact OG-ND2 3.12Å; S1543-N1566 VanDerWaalsContact OG-ND2 3.14Å; N1566-A1568 VanDerWaalsContact OD1-CB 3.23Å; N1566-A1568 WeakPolarHBondContact OD1-CB 3.28Å; N1566-A1568 PolarHBondContact OD1-N 3.01Å; N1566-N1591 HydrophobicContact CB-CB 4.44Å; N1566-N1591 WeakPolarHBondContact OD1-CB 3.15Å; N1566-N1591 PolarHBondContact OD1-ND2 3.09Å |
| 1567 | L | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -123.7 | 16.8 | 178.3 | -71.3 | 167 | 0 | 0 | 0 | 111.3 | L1526 L1542 I1547 I1550 L1565 N1570 I1572 F1580 L1590 N1591 L1592 N1595 | L1526-L1567 HydrophobicContact CD2-CD2 3.6Å; L1526-L1567 VanDerWaalsContact CD2-CD2 3.5Å; L1542-L1567 HydrophobicContact CB-CD2 3.84Å; L1542-L1567 HydrophobicContact CD1-CD2 4.08Å; I1547-L1567 HydrophobicContact CD1-CD2 4.32Å; I1550-L1567 HydrophobicContact CD1-CD1 4.06Å; L1565-L1567 HydrophobicContact CD1-CD1 4.22Å; L1565-L1567 HydrophobicContact CD1-CD2 4.48Å; L1565-L1567 HydrophobicContact CD1-CG 4.05Å; L1565-L1567 HydrophobicContact CD2-CD1 3.89Å; L1565-L1567 HydrophobicContact CG-CD1 3.91Å; L1565-L1567 HydrophobicContact CG-CG 4.06Å; L1567-N1570 PolarHBondContact O-ND2 3.16Å; L1567-N1570 VanDerWaalsContact O-ND2 3.09Å; L1567-I1572 HydrophobicContact CB-CD1 3.94Å; L1567-I1572 HydrophobicContact CD1-CD1 4.47Å; L1567-I1572 HydrophobicContact CD2-CD1 4.38Å; L1567-I1572 HydrophobicContact CG-CD1 4.5Å; L1567-F1580 HydrophobicContact CD1-CE1 4.31Å; L1567-F1580 HydrophobicContact CD1-CZ 4.34Å; L1567-L1590 HydrophobicContact CD1-CD1 4.44Å; L1567-N1591 CarbonylContact C-O 3.44Å; L1567-N1591 VanDerWaalsContact CA-O 3.23Å; L1567-N1591 WeakPolarHBondContact CA-O 3.26Å; L1567-N1591 WeakPolarHBondContact CB-O 3.33Å; L1567-N1591 PolarHBondContact N-O 3.07Å; L1567-L1592 HydrophobicContact CB-CD2 3.96Å; L1567-L1592 HydrophobicContact CD1-CD2 4.09Å; L1567-N1595 PolarHBondContact O-ND2 3.24Å; L1567-N1595 VanDerWaalsContact O-ND2 3.11Å | ||
| 1568 | A | 96.7 | Very high | 93.9 | Very high | 11.6 Ų | 11.6 | 39.9 Ų | 39.9 | 10% | 0.096 | 21% | 0.214 | C | C | . | . | trans | -65.2 | 159 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1543 S1544 N1566 N1570 N1591 G1593 | S1543-A1568 CarbonylContact C-O 3.44Å; S1543-A1568 WeakPolarHBondContact CA-O 3.22Å; S1543-A1568 WeakPolarHBondContact CB-O 3.24Å; S1544-A1568 PolarHBondContact N-O 3.13Å; N1566-A1568 VanDerWaalsContact OD1-CB 3.23Å; N1566-A1568 WeakPolarHBondContact OD1-CB 3.28Å; N1566-A1568 PolarHBondContact OD1-N 3.01Å; A1568-N1570 VanDerWaalsContact C-N 3.33Å; A1568-N1570 PolarHBondContact O-N 3.06Å; A1568-N1570 PolarHBondContact O-ND2 3.11Å; A1568-N1570 VanDerWaalsContact O-ND2 3.1Å; A1568-N1591 WeakPolarHBondContact CB-ND2 3.36Å; A1568-N1591 PolarHBondContact N-O 2.96Å; A1568-N1591 VanDerWaalsContact N-O 3.1Å; A1568-G1593 CarbonylContact C-O 3.35Å; A1568-G1593 WeakPolarHBondContact CA-O 3.37Å; A1568-G1593 VanDerWaalsContact CB-O 3.26Å; A1568-G1593 WeakPolarHBondContact CB-O 3.33Å | ||
| 1569 | D | 97.2 | Very high | 94.4 | Very high | 50.6 Ų | 50.6 | 36.6 Ų | 36.6 | 27% | 0.271 | 20% | 0.196 | S | C | . | . | S | Bend | trans | 60.2 | 49 | 174.8 | -156.6 | 31.7 | 0 | 0 | 0 | 112.5 | S1544 N1545 G1593 K1594 | S1544-D1569 CarbonylContact C-O 3.51Å; S1544-D1569 WeakPolarHBondContact CA-O 3.35Å; S1544-D1569 WeakPolarHBondContact CB-OD2 3.33Å; S1544-D1569 PolarHBondContact N-O 2.95Å; S1544-D1569 VanDerWaalsContact N-O 3.08Å; S1544-D1569 WeakPolarHBondContact OG-CB 3.31Å; S1544-D1569 PolarHBondContact OG-OD2 3.23Å; N1545-D1569 PolarHBondContact N-O 3.06Å; N1545-D1569 VanDerWaalsContact N-O 3.08Å; D1569-G1593 PolarHBondContact N-O 3.01Å; D1569-K1594 VanDerWaalsContact CA-O 3.25Å; D1569-K1594 WeakPolarHBondContact CA-O 3.29Å; D1569-K1594 HydrophobicContact CB-CB 4.2Å; D1569-K1594 HydrophobicContact CB-CD 3.87Å; D1569-K1594 HydrophobicContact CB-CG 4.26Å; D1569-K1594 VanDerWaalsContact CG-CD 3.48Å; D1569-K1594 VanDerWaalsContact CG-NZ 3.31Å; D1569-K1594 PolarHBondContact N-O 3.07Å; D1569-K1594 VanDerWaalsContact N-O 3.09Å; D1569-K1594 WeakPolarHBondContact OD1-CD 3.28Å; D1569-K1594 WeakPolarHBondContact OD1-CE 3.39Å; D1569-K1594 IonicContact OD1-NZ 2.92Å; D1569-K1594 PolarHBondContact OD1-NZ 3.02Å; D1569-K1594 IonicContact OD2-NZ 3.02Å; D1569-K1594 PolarHBondContact OD2-NZ 3.33Å |
| 1570 | N | 97 | Very high | 94.5 | Very high | 13.2 Ų | 13.2 | 36.5 Ų | 36.5 | 7% | 0.071 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -127.7 | -167.7 | 178.7 | -85.7 | -75.5 | 0 | 0 | 0 | 109.9 | L1542 N1545 G1546 I1547 L1567 A1568 I1572 K1594 N1595 | L1542-N1570 PolarHBondContact O-ND2 3.23Å; N1545-N1570 VanDerWaalsContact CA-OD1 3.25Å; N1545-N1570 WeakPolarHBondContact CA-OD1 3.29Å; N1545-N1570 WeakPolarHBondContact CB-OD1 3.35Å; N1545-N1570 PolarHBondContact N-OD1 2.87Å; N1545-N1570 PolarHBondContact O-OD1 2.95Å; G1546-N1570 PolarHBondContact N-OD1 2.78Å; I1547-N1570 HydrophobicContact CB-CB 4.33Å; I1547-N1570 VanDerWaalsContact CB-OD1 3.29Å; I1547-N1570 WeakPolarHBondContact CB-OD1 3.32Å; I1547-N1570 WeakPolarHBondContact CG1-OD1 3.48Å; I1547-N1570 PolarHBondContact N-OD1 3.15Å; L1567-N1570 PolarHBondContact O-ND2 3.16Å; L1567-N1570 VanDerWaalsContact O-ND2 3.09Å; A1568-N1570 VanDerWaalsContact C-N 3.33Å; A1568-N1570 PolarHBondContact O-N 3.06Å; A1568-N1570 PolarHBondContact O-ND2 3.11Å; A1568-N1570 VanDerWaalsContact O-ND2 3.1Å; N1570-I1572 HydrophobicContact CB-CD1 4.14Å; N1570-I1572 HydrophobicContact CB-CG1 4.08Å; N1570-K1594 PolarHBondContact N-O 3.32Å; N1570-N1595 VanDerWaalsContact CA-OD1 3.28Å; N1570-N1595 WeakPolarHBondContact CA-OD1 3.25Å; N1570-N1595 VanDerWaalsContact CB-OD1 3.28Å; N1570-N1595 WeakPolarHBondContact CB-OD1 3.44Å; N1570-N1595 PolarHBondContact N-OD1 2.89Å; N1570-N1595 PolarHBondContact O-OD1 3.29Å; N1570-N1595 VanDerWaalsContact O-OD1 3.13Å |
| 1571 | K | 96.3 | Very high | 94.6 | Very high | 136.2 Ų | 136.2 | 36.6 Ų | 36.6 | 59% | 0.592 | 19% | 0.193 | S | C | * | . | trans | -114.6 | 32.5 | -178.3 | -58.7 | 173.1 | -172.8 | 165.7 | 0 | 111.6 | I1547 C1573 N1595 C1596 | I1547-K1571 CarbonylContact O-C 3.31Å; I1547-K1571 VanDerWaalsContact O-C 3.26Å; I1547-K1571 VanDerWaalsContact O-CA 3.26Å; I1547-K1571 WeakPolarHBondContact O-CA 3.3Å; I1547-K1571 WeakPolarHBondContact O-CB 3.36Å; I1547-K1571 PolarHBondContact O-N 2.95Å; K1571-C1573 PolarHBondContact O-N 2.97Å; K1571-N1595 PolarHBondContact N-OD1 3.27Å; K1571-C1596 VanDerWaalsContact C-SG 3.52Å; K1571-C1596 PolarHBondContact O-SG 3.02Å; K1571-C1596 VanDerWaalsContact O-SG 3.37Å | ||
| 1572 | I | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -77.5 | 106.8 | 179.6 | -51.7 | 162.9 | 0 | 0 | 0 | 108.3 | I1547 G1548 I1550 L1567 N1570 A1574 V1575 L1592 N1595 C1596 L1597 | I1547-I1572 HydrophobicContact CG2-CG1 4.39Å; I1547-I1572 PolarHBondContact O-N 3.26Å; G1548-I1572 WeakPolarHBondContact O-CA 3.17Å; G1548-I1572 VanDerWaalsContact O-CG1 3.3Å; G1548-I1572 WeakPolarHBondContact O-CG1 3.22Å; I1550-I1572 HydrophobicContact CD1-CD1 4.02Å; I1550-I1572 HydrophobicContact CD1-CG1 4.39Å; I1550-I1572 HydrophobicContact CD1-CG2 4.33Å; I1550-I1572 HydrophobicContact CG1-CG1 4.44Å; I1550-I1572 HydrophobicContact CG1-CG2 4.39Å; L1567-I1572 HydrophobicContact CB-CD1 3.94Å; L1567-I1572 HydrophobicContact CD1-CD1 4.47Å; L1567-I1572 HydrophobicContact CD2-CD1 4.38Å; L1567-I1572 HydrophobicContact CG-CD1 4.5Å; N1570-I1572 HydrophobicContact CB-CD1 4.14Å; N1570-I1572 HydrophobicContact CB-CG1 4.08Å; I1572-A1574 VanDerWaalsContact CG2-O 3.25Å; I1572-A1574 WeakPolarHBondContact CG2-O 3.31Å; I1572-V1575 HydrophobicContact CG2-CG2 3.56Å; I1572-V1575 VanDerWaalsContact CG2-CG2 3.49Å; I1572-L1592 HydrophobicContact CD1-CD2 3.81Å; I1572-N1595 HydrophobicContact CB-CB 4.38Å; I1572-N1595 VanDerWaalsContact CB-OD1 3.27Å; I1572-N1595 WeakPolarHBondContact CB-OD1 3.32Å; I1572-N1595 WeakPolarHBondContact CD1-OD1 3.3Å; I1572-N1595 VanDerWaalsContact CG1-OD1 3.27Å; I1572-N1595 WeakPolarHBondContact CG1-OD1 3.21Å; I1572-N1595 PolarHBondContact N-OD1 3.13Å; I1572-N1595 WeakPolarHBondContact O-CB 3.38Å; I1572-C1596 CarbonylContact O-C 3.4Å; I1572-C1596 PolarHBondContact O-N 3.05Å; I1572-C1596 VanDerWaalsContact O-N 3.1Å; I1572-C1596 PolarHBondContact O-SG 3.18Å; I1572-C1596 VanDerWaalsContact O-SG 3.37Å; I1572-L1597 HydrophobicContact CG2-CD2 4.16Å; I1572-L1597 PolarHBondContact O-N 3.09Å | ||
| 1573 | C | 96 | Very high | 94.2 | Very high | 63.2 Ų | 63.2 | 37.6 Ų | 37.6 | 43% | 0.427 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -100.7 | -23.2 | 175 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | D1549 K1571 C1596 | D1549-C1573 VanDerWaalsContact OD1-CA 3.26Å; D1549-C1573 WeakPolarHBondContact OD1-CA 3.37Å; D1549-C1573 VanDerWaalsContact OD1-CB 3.28Å; D1549-C1573 WeakPolarHBondContact OD1-CB 3.32Å; D1549-C1573 PolarHBondContact OD1-N 2.97Å; K1571-C1573 PolarHBondContact O-N 2.97Å; C1573-C1596 WeakPolarHBondContact CA-SG 3.35Å; C1573-C1596 HydrophobicContact CB-CB 4.09Å; C1573-C1596 WeakPolarHBondContact CB-SG 3.45Å; C1573-C1596 PolarHBondContact N-SG 3.04Å; C1573-C1596 WeakPolarHBondContact SG-CB 3.39Å; C1573-C1596 CovalentContact SG-SG 2.04Å; C1573-C1596 PolarHBondContact SG-SG 3.01Å |
| 1574 | A | 94.4 | Very high | 94 | Very high | 48 Ų | 48 | 37.8 Ų | 37.8 | 40% | 0.397 | 20% | 0.199 | S | C | . | . | trans | -139.2 | 154.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1549 I1550 I1572 | D1549-A1574 WeakPolarHBondContact CA-O 3.33Å; D1549-A1574 HydrophobicContact CB-CB 4.29Å; D1549-A1574 PolarHBondContact OD1-N 3.03Å; I1550-A1574 PolarHBondContact N-O 3.15Å; I1550-A1574 VanDerWaalsContact N-O 3.11Å; I1572-A1574 VanDerWaalsContact CG2-O 3.25Å; I1572-A1574 WeakPolarHBondContact CG2-O 3.31Å | ||
| 1575 | V | 95 | Very high | 93.8 | Very high | 19.4 Ų | 19.4 | 39.9 Ų | 39.9 | 12% | 0.118 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -135.5 | 125.5 | 175.7 | -176.8 | 0 | 0 | 0 | 0 | 109 | I1550 I1572 A1579 F1580 L1592 L1597 P1601 A1604 | I1550-V1575 HydrophobicContact CB-CG1 4.35Å; I1550-V1575 HydrophobicContact CD1-CG1 4.42Å; I1550-V1575 HydrophobicContact CD1-CG2 4.39Å; I1550-V1575 HydrophobicContact CG2-CG1 4.44Å; I1572-V1575 HydrophobicContact CG2-CG2 3.56Å; I1572-V1575 VanDerWaalsContact CG2-CG2 3.49Å; V1575-A1579 HydrophobicContact CG1-CB 3.84Å; V1575-F1580 HydrophobicContact CG1-CE2 3.81Å; V1575-F1580 HydrophobicContact CG1-CZ 4.06Å; V1575-L1592 HydrophobicContact CG2-CD1 4.43Å; V1575-L1597 HydrophobicContact CG2-CD2 4.27Å; V1575-P1601 HydrophobicContact CB-CB 4.09Å; V1575-P1601 HydrophobicContact CG2-CB 4.38Å; V1575-A1604 HydrophobicContact CB-CB 4.24Å; V1575-A1604 HydrophobicContact CG1-CB 3.68Å |
| 1576 | H | 94.2 | Very high | 93.7 | Very high | 46.2 Ų | 46.2 | 41.3 Ų | 41.3 | 21% | 0.214 | 22% | 0.224 | C | C | . | . | trans | -65.3 | 145.1 | 179.2 | -173.5 | -117.8 | 0 | 0 | 0 | 112.2 | I1550 D1551 E1552 D1578 A1579 A1604 | I1550-H1576 WeakPolarHBondContact O-CB 3.27Å; I1550-H1576 PolarHBondContact O-N 3Å; D1551-H1576 VanDerWaalsContact C-CB 3.49Å; D1551-H1576 WeakPolarHBondContact O-CB 3.35Å; E1552-H1576 WeakPolarHBondContact CA-ND1 3.37Å; E1552-H1576 VanDerWaalsContact CB-CE1 3.45Å; E1552-H1576 WeakPolarHBondContact CB-CE1 3.48Å; E1552-H1576 WeakPolarHBondContact CB-ND1 3.25Å; H1576-D1578 IonicContact CE1-OD2 2.84Å; H1576-D1578 PolarHBondContact CE1-OD2 3.16Å; H1576-D1578 VanDerWaalsContact CE1-OD2 3.23Å; H1576-D1578 IonicContact ND1-OD2 3.16Å; H1576-D1578 PolarHBondContact O-N 3.2Å; H1576-D1578 VanDerWaalsContact O-N 3.09Å; H1576-A1579 HydrophobicContact CB-CB 4.48Å; H1576-A1579 VanDerWaalsContact O-CB 3.24Å; H1576-A1579 WeakPolarHBondContact O-CB 3.29Å; H1576-A1579 PolarHBondContact O-N 3.17Å; H1576-A1579 VanDerWaalsContact O-N 3.09Å; H1576-A1604 VanDerWaalsContact O-CB 3.3Å; H1576-A1604 WeakPolarHBondContact O-CB 3.34Å | ||
| 1577 | K | 92 | Very high | 93.5 | Very high | 103.4 Ų | 103.4 | 39.7 Ų | 39.7 | 45% | 0.45 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -32.7 | -176.6 | 47.5 | 164.5 | -172.7 | 82.3 | 0 | 114.6 | K1584 A1603 A1604 | K1577-K1584 PolarHBondContact O-NZ 3.45Å; K1577-A1603 HydrophobicContact CB-CB 3.81Å; K1577-A1604 WeakPolarHBondContact O-CA 3.34Å |
| 1578 | D | 90.8 | Very high | 93.5 | Very high | 39.4 Ų | 39.4 | 42.6 Ų | 42.6 | 21% | 0.211 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -2.8 | -175 | -45 | -24.2 | 0 | 0 | 0 | 112.6 | H1576 F1580 D1581 | H1576-D1578 IonicContact CE1-OD2 2.84Å; H1576-D1578 PolarHBondContact CE1-OD2 3.16Å; H1576-D1578 VanDerWaalsContact CE1-OD2 3.23Å; H1576-D1578 IonicContact ND1-OD2 3.16Å; H1576-D1578 PolarHBondContact O-N 3.2Å; H1576-D1578 VanDerWaalsContact O-N 3.09Å; D1578-F1580 PolarHBondContact O-N 3.07Å; D1578-D1581 WeakPolarHBondContact O-CB 3.32Å; D1578-D1581 PolarHBondContact O-N 3.04Å |
| 1579 | A | 90.7 | Very high | 93.4 | Very high | 1.4 Ų | 1.4 | 43.8 Ų | 43.8 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -31.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | I1550 Q1555 L1556 V1575 H1576 | I1550-A1579 HydrophobicContact CG2-CB 3.72Å; Q1555-A1579 WeakPolarHBondContact CA-O 3.33Å; L1556-A1579 PolarHBondContact N-O 3.06Å; L1556-A1579 VanDerWaalsContact N-O 3.09Å; V1575-A1579 HydrophobicContact CG1-CB 3.84Å; H1576-A1579 HydrophobicContact CB-CB 4.48Å; H1576-A1579 VanDerWaalsContact O-CB 3.24Å; H1576-A1579 WeakPolarHBondContact O-CB 3.29Å; H1576-A1579 PolarHBondContact O-N 3.17Å; H1576-A1579 VanDerWaalsContact O-N 3.09Å |
| 1580 | F | 92 | Very high | 93.4 | Very high | 0.8 Ų | 0.8 | 41.4 Ų | 41.4 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 7.5 | -177.7 | -53.1 | -51.9 | 0 | 0 | 0 | 114.2 | I1550 L1565 L1567 V1575 D1578 M1582 V1583 K1584 L1590 A1604 F1608 | I1550-F1580 HydrophobicContact CD1-CZ 4.39Å; L1565-F1580 HydrophobicContact CD2-CD1 4.17Å; L1565-F1580 HydrophobicContact CD2-CE1 3.78Å; L1565-F1580 HydrophobicContact CD2-CZ 4.43Å; L1567-F1580 HydrophobicContact CD1-CE1 4.31Å; L1567-F1580 HydrophobicContact CD1-CZ 4.34Å; V1575-F1580 HydrophobicContact CG1-CE2 3.81Å; V1575-F1580 HydrophobicContact CG1-CZ 4.06Å; D1578-F1580 PolarHBondContact O-N 3.07Å; F1580-M1582 PolarHBondContact O-N 3.09Å; F1580-M1582 VanDerWaalsContact O-N 3.09Å; F1580-V1583 HydrophobicContact CB-CG2 3.9Å; F1580-V1583 HydrophobicContact CD1-CG2 4.43Å; F1580-V1583 CarbonylContact O-C 3.37Å; F1580-V1583 VanDerWaalsContact O-CG2 3.28Å; F1580-V1583 WeakPolarHBondContact O-CG2 3.25Å; F1580-V1583 PolarHBondContact O-N 3.13Å; F1580-K1584 HydrophobicContact CB-CG 4.43Å; F1580-K1584 WeakPolarHBondContact O-CG 3.29Å; F1580-K1584 PolarHBondContact O-N 3.17Å; F1580-L1590 HydrophobicContact CD2-CD2 4.29Å; F1580-L1590 HydrophobicContact CE1-CD1 4.35Å; F1580-L1590 HydrophobicContact CE2-CD1 4.28Å; F1580-L1590 HydrophobicContact CE2-CD2 3.87Å; F1580-L1590 HydrophobicContact CZ-CD1 4.12Å; F1580-L1590 HydrophobicContact CZ-CD2 4.37Å; F1580-A1604 HydrophobicContact CD2-CB 4.33Å; F1580-A1604 HydrophobicContact CE2-CB 4.48Å; F1580-F1608 HydrophobicContact CB-CE1 4.34Å; F1580-F1608 HydrophobicContact CB-CE2 4.13Å; F1580-F1608 HydrophobicContact CB-CZ 3.51Å; F1580-F1608 AromaticContact CD2-CE2 3.91Å; F1580-F1608 HydrophobicContact CD2-CE2 4.16Å; F1580-F1608 AromaticContact CD2-CZ 3.88Å; F1580-F1608 HydrophobicContact CD2-CZ 3.91Å; F1580-F1608 HydrophobicContact CG-CE2 4.34Å; F1580-F1608 AromaticContact CG-CZ 3.85Å; F1580-F1608 HydrophobicContact CG-CZ 3.93Å |
| 1581 | D | 89.6 | Confident | 93.4 | Very high | 63.8 Ų | 63.8 | 42.2 Ų | 42.2 | 34% | 0.341 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -34.4 | -167.6 | -96.1 | 14.5 | 0 | 0 | 0 | 114.1 | D1578 K1584 | D1578-D1581 WeakPolarHBondContact O-CB 3.32Å; D1578-D1581 PolarHBondContact O-N 3.04Å; D1581-K1584 WeakPolarHBondContact OD1-CD 3.37Å; D1581-K1584 WeakPolarHBondContact OD1-CE 3.35Å; D1581-K1584 IonicContact OD1-NZ 3.12Å; D1581-K1584 PolarHBondContact OD1-NZ 3.08Å |
| 1582 | M | 87.6 | Confident | 93.5 | Very high | 104.6 Ų | 104.6 | 35.7 Ų | 35.7 | 52% | 0.515 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -21.1 | 178.3 | -58.4 | -61.1 | 99.7 | 0 | 0 | 113.8 | F1580 | F1580-M1582 PolarHBondContact O-N 3.09Å; F1580-M1582 VanDerWaalsContact O-N 3.09Å |
| 1583 | V | 91.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -8.8 | -179.8 | -60.3 | 0 | 0 | 0 | 0 | 113.7 | L1556 L1559 L1562 F1580 P1585 T1586 L1587 | L1556-V1583 HydrophobicContact CB-CG1 4.44Å; L1559-V1583 HydrophobicContact CB-CG1 3.98Å; L1559-V1583 HydrophobicContact CD1-CG1 4.44Å; L1562-V1583 HydrophobicContact CB-CB 4.46Å; L1562-V1583 HydrophobicContact CB-CG1 4.37Å; L1562-V1583 HydrophobicContact CD2-CB 4.43Å; L1562-V1583 HydrophobicContact CD2-CG1 4.04Å; F1580-V1583 HydrophobicContact CB-CG2 3.9Å; F1580-V1583 HydrophobicContact CD1-CG2 4.43Å; F1580-V1583 CarbonylContact O-C 3.37Å; F1580-V1583 VanDerWaalsContact O-CG2 3.28Å; F1580-V1583 WeakPolarHBondContact O-CG2 3.25Å; F1580-V1583 PolarHBondContact O-N 3.13Å; V1583-P1585 VanDerWaalsContact O-N 3.13Å; V1583-T1586 PolarHBondContact O-N 3.03Å; V1583-T1586 PolarHBondContact O-OG1 3.02Å; V1583-L1587 WeakPolarHBondContact O-CB 3.41Å; V1583-L1587 PolarHBondContact O-N 3.15Å |
| 1584 | K | 91.4 | Very high | 93.5 | Very high | 22.2 Ų | 22.2 | 36.9 Ų | 36.9 | 10% | 0.097 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | -30.4 | 169.2 | -79.3 | 178 | -170.1 | 176.6 | 0 | 115.7 | K1577 F1580 D1581 A1604 R1606 F1608 K1609 | K1577-K1584 PolarHBondContact O-NZ 3.45Å; F1580-K1584 HydrophobicContact CB-CG 4.43Å; F1580-K1584 WeakPolarHBondContact O-CG 3.29Å; F1580-K1584 PolarHBondContact O-N 3.17Å; D1581-K1584 WeakPolarHBondContact OD1-CD 3.37Å; D1581-K1584 WeakPolarHBondContact OD1-CE 3.35Å; D1581-K1584 IonicContact OD1-NZ 3.12Å; D1581-K1584 PolarHBondContact OD1-NZ 3.08Å; K1584-A1604 WeakPolarHBondContact CE-O 3.35Å; K1584-A1604 PolarHBondContact NZ-O 3.15Å; K1584-R1606 WeakPolarHBondContact CE-O 3.43Å; K1584-R1606 PolarHBondContact NZ-O 3.05Å; K1584-R1606 VanDerWaalsContact NZ-O 3.09Å; K1584-F1608 HydrophobicContact CB-CD1 4.29Å; K1584-F1608 HydrophobicContact CB-CE1 4.43Å; K1584-F1608 HydrophobicContact CB-CG 4.44Å; K1584-F1608 HydrophobicContact CD-CD2 4.3Å; K1584-F1608 HydrophobicContact CD-CE2 4.3Å; K1584-F1608 HydrophobicContact CG-CD1 3.97Å; K1584-F1608 HydrophobicContact CG-CD2 3.72Å; K1584-F1608 HydrophobicContact CG-CE1 3.88Å; K1584-F1608 HydrophobicContact CG-CE2 3.65Å; K1584-F1608 HydrophobicContact CG-CG 3.89Å; K1584-F1608 HydrophobicContact CG-CZ 3.76Å; K1584-K1609 PolarHBondContact O-N 2.92Å |
| 1585 | P | 91.4 | Very high | 93.7 | Very high | 79.4 Ų | 79.4 | 35.2 Ų | 35.2 | 52% | 0.516 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -15.3 | 175.6 | -17.9 | 33.3 | 0 | 0 | 0 | 115.5 | V1583 H1610 | V1583-P1585 VanDerWaalsContact O-N 3.13Å; P1585-H1610 PolarHBondContact O-CD2 3.07Å; P1585-H1610 VanDerWaalsContact O-CD2 3.26Å |
| 1586 | T | 92.8 | Very high | 93.8 | Very high | 30.6 Ų | 30.6 | 35.8 Ų | 35.8 | 19% | 0.188 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | -31.6 | -169.8 | 58.4 | 0 | 0 | 0 | 0 | 113.8 | P1560 L1562 V1583 Q1588 | P1560-T1586 WeakPolarHBondContact O-CG2 3.28Å; L1562-T1586 PolarHBondContact N-OG1 3.21Å; L1562-T1586 CarbonylContact O-C 3.22Å; L1562-T1586 VanDerWaalsContact O-C 3.26Å; L1562-T1586 VanDerWaalsContact O-CB 3.26Å; L1562-T1586 WeakPolarHBondContact O-CB 3.25Å; L1562-T1586 PolarHBondContact O-OG1 3.22Å; V1583-T1586 PolarHBondContact O-N 3.03Å; V1583-T1586 PolarHBondContact O-OG1 3.02Å; T1586-Q1588 VanDerWaalsContact O-CG 3.23Å; T1586-Q1588 WeakPolarHBondContact O-CG 3.35Å; T1586-Q1588 PolarHBondContact O-N 3.12Å |
| 1587 | L | 94.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -67.6 | 130.2 | -171.7 | -156.9 | 76.6 | 0 | 0 | 0 | 112.1 | L1562 L1565 V1583 T1589 L1590 F1608 H1610 L1611 | L1562-L1587 HydrophobicContact CB-CD1 4.45Å; L1562-L1587 HydrophobicContact CD2-CD1 3.88Å; L1562-L1587 HydrophobicContact CG-CD1 3.89Å; L1562-L1587 VanDerWaalsContact O-CA 3.26Å; L1562-L1587 WeakPolarHBondContact O-CA 3.37Å; L1562-L1587 PolarHBondContact O-N 2.97Å; L1562-L1587 VanDerWaalsContact O-N 3.1Å; L1565-L1587 HydrophobicContact CB-CD1 3.78Å; L1565-L1587 HydrophobicContact CB-CD2 4.23Å; L1565-L1587 HydrophobicContact CB-CG 4.48Å; L1565-L1587 HydrophobicContact CD2-CD2 4.49Å; V1583-L1587 WeakPolarHBondContact O-CB 3.41Å; V1583-L1587 PolarHBondContact O-N 3.15Å; L1587-T1589 WeakPolarHBondContact CD2-O 3.22Å; L1587-T1589 WeakPolarHBondContact CG-O 3.37Å; L1587-L1590 HydrophobicContact CD2-CB 3.9Å; L1587-L1590 HydrophobicContact CD2-CD1 4.21Å; L1587-L1590 HydrophobicContact CD2-CG 4.45Å; L1587-F1608 HydrophobicContact CB-CD1 4.11Å; L1587-F1608 HydrophobicContact CB-CE1 3.74Å; L1587-F1608 HydrophobicContact CD2-CD1 4.45Å; L1587-F1608 HydrophobicContact CD2-CE1 3.59Å; L1587-F1608 VanDerWaalsContact CD2-CE1 3.5Å; L1587-F1608 HydrophobicContact CD2-CZ 4.18Å; L1587-F1608 HydrophobicContact CG-CE1 4.29Å; L1587-H1610 CarbonylContact O-C 3.4Å; L1587-H1610 VanDerWaalsContact O-C 3.29Å; L1587-L1611 HydrophobicContact CD2-CD1 4.3Å; L1587-L1611 VanDerWaalsContact O-CA 3.27Å; L1587-L1611 WeakPolarHBondContact O-CA 3.35Å; L1587-L1611 PolarHBondContact O-N 3.07Å; L1587-L1611 VanDerWaalsContact O-N 3.08Å | ||
| 1588 | Q | 95.5 | Very high | 94 | Very high | 60.6 Ų | 60.6 | 31.6 Ų | 31.6 | 28% | 0.283 | 18% | 0.177 | S | C | . | . | trans | -111.3 | -32.2 | -179.3 | -58.5 | -171.1 | 35.3 | 0 | 0 | 112.1 | T1563 T1586 H1610 L1611 L1612 A1613 A1956 | T1563-Q1588 HydrophobicContact CG2-CG 4.25Å; T1563-Q1588 CarbonylContact O-C 3.39Å; T1563-Q1588 WeakPolarHBondContact O-CA 3.34Å; T1563-Q1588 PolarHBondContact O-N 3.17Å; T1586-Q1588 VanDerWaalsContact O-CG 3.23Å; T1586-Q1588 WeakPolarHBondContact O-CG 3.35Å; T1586-Q1588 PolarHBondContact O-N 3.12Å; Q1588-H1610 WeakPolarHBondContact CA-O 3.4Å; Q1588-H1610 HydrophobicContact CG-CB 4.45Å; Q1588-L1611 CarbonylContact O-C 3.45Å; Q1588-L1612 HydrophobicContact CB-CD1 4.27Å; Q1588-L1612 HydrophobicContact CB-CG 4.4Å; Q1588-L1612 HydrophobicContact CG-CD1 4.44Å; Q1588-L1612 CarbonylContact O-C 3.15Å; Q1588-L1612 WeakPolarHBondContact O-CA 3.28Å; Q1588-L1612 WeakPolarHBondContact O-CB 3.39Å; Q1588-L1612 PolarHBondContact O-N 2.9Å; Q1588-L1612 VanDerWaalsContact OE1-CD1 3.3Å; Q1588-A1613 PolarHBondContact O-N 3.1Å; Q1588-A1613 VanDerWaalsContact O-N 3.14Å; Q1588-A1956 VanDerWaalsContact CD-O 3.25Å; Q1588-A1956 PolarHBondContact OE1-O 3.16Å | ||
| 1589 | T | 95.7 | Very high | 94.2 | Very high | 36 Ų | 36 | 34.3 Ų | 34.3 | 22% | 0.221 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 135.7 | 172.4 | 62 | 0 | 0 | 0 | 0 | 111.6 | T1563 D1564 L1565 L1587 A1613 | T1563-T1589 PolarHBondContact O-N 3.16Å; D1564-T1589 WeakPolarHBondContact CA-O 3.01Å; D1564-T1589 WeakPolarHBondContact CA-OG1 3.43Å; D1564-T1589 VanDerWaalsContact CB-OG1 3.27Å; D1564-T1589 WeakPolarHBondContact CB-OG1 3.25Å; D1564-T1589 WeakPolarHBondContact OD1-CB 3.34Å; D1564-T1589 WeakPolarHBondContact OD1-CG2 3.43Å; D1564-T1589 PolarHBondContact OD1-OG1 2.95Å; L1565-T1589 PolarHBondContact N-O 3.22Å; L1587-T1589 WeakPolarHBondContact CD2-O 3.22Å; L1587-T1589 WeakPolarHBondContact CG-O 3.37Å; T1589-A1613 WeakPolarHBondContact CA-O 3.49Å; T1589-A1613 HydrophobicContact CG2-CB 4.1Å |
| 1590 | L | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 119.7 | 173.1 | 178.6 | 59.1 | 0 | 0 | 0 | 109.1 | L1565 L1567 F1580 L1587 L1592 I1605 F1608 L1611 A1613 L1614 H1615 | L1565-L1590 HydrophobicContact CB-CD1 4.27Å; L1565-L1590 HydrophobicContact CD2-CD1 3.98Å; L1565-L1590 HydrophobicContact CG-CD1 4.14Å; L1567-L1590 HydrophobicContact CD1-CD1 4.44Å; F1580-L1590 HydrophobicContact CD2-CD2 4.29Å; F1580-L1590 HydrophobicContact CE1-CD1 4.35Å; F1580-L1590 HydrophobicContact CE2-CD1 4.28Å; F1580-L1590 HydrophobicContact CE2-CD2 3.87Å; F1580-L1590 HydrophobicContact CZ-CD1 4.12Å; F1580-L1590 HydrophobicContact CZ-CD2 4.37Å; L1587-L1590 HydrophobicContact CD2-CB 3.9Å; L1587-L1590 HydrophobicContact CD2-CD1 4.21Å; L1587-L1590 HydrophobicContact CD2-CG 4.45Å; L1590-L1592 HydrophobicContact CD1-CD1 4.41Å; L1590-L1592 HydrophobicContact CD1-CG 4.32Å; L1590-L1592 HydrophobicContact CD2-CD1 4.07Å; L1590-L1592 HydrophobicContact CG-CD1 4.19Å; L1590-L1592 HydrophobicContact CG-CG 4.28Å; L1590-I1605 HydrophobicContact CD2-CG2 4.27Å; L1590-F1608 HydrophobicContact CD2-CE2 4.28Å; L1590-F1608 HydrophobicContact CD2-CZ 4.13Å; L1590-L1611 HydrophobicContact CB-CD1 3.84Å; L1590-A1613 PolarHBondContact N-O 3.05Å; L1590-A1613 VanDerWaalsContact N-O 3.14Å; L1590-L1614 HydrophobicContact CB-CD1 4.16Å; L1590-L1614 HydrophobicContact CD2-CD1 4.04Å; L1590-L1614 HydrophobicContact CG-CD1 4.17Å; L1590-L1614 WeakPolarHBondContact O-CA 3.18Å; L1590-H1615 PolarHBondContact O-N 3.02Å |
| 1591 | N | 97.5 | Very high | 94.6 | Very high | 31.6 Ų | 31.6 | 35.1 Ų | 35.1 | 17% | 0.169 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 111.2 | 178.4 | -172.2 | 14.6 | 0 | 0 | 0 | 112.2 | L1565 N1566 L1567 A1568 G1593 H1615 Q1617 | L1565-N1591 PolarHBondContact O-N 2.83Å; N1566-N1591 HydrophobicContact CB-CB 4.44Å; N1566-N1591 WeakPolarHBondContact OD1-CB 3.15Å; N1566-N1591 PolarHBondContact OD1-ND2 3.09Å; L1567-N1591 CarbonylContact C-O 3.44Å; L1567-N1591 VanDerWaalsContact CA-O 3.23Å; L1567-N1591 WeakPolarHBondContact CA-O 3.26Å; L1567-N1591 WeakPolarHBondContact CB-O 3.33Å; L1567-N1591 PolarHBondContact N-O 3.07Å; A1568-N1591 WeakPolarHBondContact CB-ND2 3.36Å; A1568-N1591 PolarHBondContact N-O 2.96Å; A1568-N1591 VanDerWaalsContact N-O 3.1Å; N1591-G1593 PolarHBondContact OD1-N 3.07Å; N1591-G1593 VanDerWaalsContact OD1-N 3.15Å; N1591-H1615 HydrophobicContact CB-CB 4.13Å; N1591-H1615 WeakPolarHBondContact OD1-CB 3.42Å; N1591-Q1617 PolarHBondContact OD1-NE2 3.12Å |
| 1592 | L | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -118.5 | 20.7 | 176.8 | -69.5 | 166.3 | 0 | 0 | 0 | 110.8 | L1567 I1572 V1575 L1590 N1595 L1597 P1601 H1615 L1616 N1619 | L1567-L1592 HydrophobicContact CB-CD2 3.96Å; L1567-L1592 HydrophobicContact CD1-CD2 4.09Å; I1572-L1592 HydrophobicContact CD1-CD2 3.81Å; V1575-L1592 HydrophobicContact CG2-CD1 4.43Å; L1590-L1592 HydrophobicContact CD1-CD1 4.41Å; L1590-L1592 HydrophobicContact CD1-CG 4.32Å; L1590-L1592 HydrophobicContact CD2-CD1 4.07Å; L1590-L1592 HydrophobicContact CG-CD1 4.19Å; L1590-L1592 HydrophobicContact CG-CG 4.28Å; L1592-N1595 WeakPolarHBondContact O-CB 3.37Å; L1592-N1595 PolarHBondContact O-ND2 3.18Å; L1592-N1595 VanDerWaalsContact O-ND2 3.14Å; L1592-L1597 HydrophobicContact CB-CD1 4.13Å; L1592-L1597 HydrophobicContact CD1-CD1 4.39Å; L1592-P1601 HydrophobicContact CD1-CG 4.41Å; L1592-H1615 CarbonylContact C-O 3.53Å; L1592-H1615 WeakPolarHBondContact CA-O 3.37Å; L1592-H1615 PolarHBondContact N-O 3.27Å; L1592-L1616 HydrophobicContact CB-CD2 4Å; L1592-L1616 HydrophobicContact CD1-CD2 4.39Å; L1592-N1619 PolarHBondContact O-ND2 3.02Å | ||
| 1593 | G | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -69.2 | 163.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A1568 D1569 N1591 N1595 H1615 Q1617 | A1568-G1593 CarbonylContact C-O 3.35Å; A1568-G1593 WeakPolarHBondContact CA-O 3.37Å; A1568-G1593 VanDerWaalsContact CB-O 3.26Å; A1568-G1593 WeakPolarHBondContact CB-O 3.33Å; D1569-G1593 PolarHBondContact N-O 3.01Å; N1591-G1593 PolarHBondContact OD1-N 3.07Å; N1591-G1593 VanDerWaalsContact OD1-N 3.15Å; G1593-N1595 VanDerWaalsContact C-N 3.29Å; G1593-N1595 PolarHBondContact O-N 3.06Å; G1593-N1595 VanDerWaalsContact O-N 3.09Å; G1593-N1595 PolarHBondContact O-ND2 3.06Å; G1593-N1595 VanDerWaalsContact O-ND2 3.08Å; G1593-H1615 PolarHBondContact N-O 3.08Å; G1593-Q1617 CarbonylContact C-O 3.35Å; G1593-Q1617 WeakPolarHBondContact CA-O 3.35Å | ||
| 1594 | K | 96.7 | Very high | 95.1 | Very high | 87.2 Ų | 87.2 | 31.4 Ų | 31.4 | 38% | 0.379 | 19% | 0.189 | S | C | . | . | S | Bend | trans | 51.2 | 50.6 | -176.7 | -125 | -176.4 | 177.3 | -160.1 | 0 | 112.1 | D1569 N1570 Q1617 R1618 E1935 | D1569-K1594 VanDerWaalsContact CA-O 3.25Å; D1569-K1594 WeakPolarHBondContact CA-O 3.29Å; D1569-K1594 HydrophobicContact CB-CB 4.2Å; D1569-K1594 HydrophobicContact CB-CD 3.87Å; D1569-K1594 HydrophobicContact CB-CG 4.26Å; D1569-K1594 VanDerWaalsContact CG-CD 3.48Å; D1569-K1594 VanDerWaalsContact CG-NZ 3.31Å; D1569-K1594 PolarHBondContact N-O 3.07Å; D1569-K1594 VanDerWaalsContact N-O 3.09Å; D1569-K1594 WeakPolarHBondContact OD1-CD 3.28Å; D1569-K1594 WeakPolarHBondContact OD1-CE 3.39Å; D1569-K1594 IonicContact OD1-NZ 2.92Å; D1569-K1594 PolarHBondContact OD1-NZ 3.02Å; D1569-K1594 IonicContact OD2-NZ 3.02Å; D1569-K1594 PolarHBondContact OD2-NZ 3.33Å; N1570-K1594 PolarHBondContact N-O 3.32Å; K1594-Q1617 PolarHBondContact N-O 3.18Å; K1594-R1618 CarbonylContact C-O 3.46Å; K1594-R1618 WeakPolarHBondContact CA-O 3.39Å; K1594-R1618 HydrophobicContact CB-CB 4.29Å; K1594-R1618 HydrophobicContact CG-CB 4.1Å; K1594-R1618 HydrophobicContact CG-CG 4.48Å; K1594-R1618 PolarHBondContact N-O 3.16Å; K1594-R1618 VanDerWaalsContact N-O 3.15Å; K1594-E1935 IonicContact NZ-OE1 3.27Å; K1594-E1935 PolarHBondContact NZ-OE1 3.39Å; K1594-E1935 IonicContact NZ-OE2 2.71Å; K1594-E1935 PolarHBondContact NZ-OE2 2.72Å |
| 1595 | N | 97.3 | Very high | 95.3 | Very high | 13.6 Ų | 13.6 | 30.4 Ų | 30.4 | 7% | 0.073 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -128.1 | -171 | 178.3 | -89.3 | -81.1 | 0 | 0 | 0 | 109.4 | L1567 N1570 K1571 I1572 L1592 G1593 L1597 R1618 N1619 | L1567-N1595 PolarHBondContact O-ND2 3.24Å; L1567-N1595 VanDerWaalsContact O-ND2 3.11Å; N1570-N1595 VanDerWaalsContact CA-OD1 3.28Å; N1570-N1595 WeakPolarHBondContact CA-OD1 3.25Å; N1570-N1595 VanDerWaalsContact CB-OD1 3.28Å; N1570-N1595 WeakPolarHBondContact CB-OD1 3.44Å; N1570-N1595 PolarHBondContact N-OD1 2.89Å; N1570-N1595 PolarHBondContact O-OD1 3.29Å; N1570-N1595 VanDerWaalsContact O-OD1 3.13Å; K1571-N1595 PolarHBondContact N-OD1 3.27Å; I1572-N1595 HydrophobicContact CB-CB 4.38Å; I1572-N1595 VanDerWaalsContact CB-OD1 3.27Å; I1572-N1595 WeakPolarHBondContact CB-OD1 3.32Å; I1572-N1595 WeakPolarHBondContact CD1-OD1 3.3Å; I1572-N1595 VanDerWaalsContact CG1-OD1 3.27Å; I1572-N1595 WeakPolarHBondContact CG1-OD1 3.21Å; I1572-N1595 PolarHBondContact N-OD1 3.13Å; I1572-N1595 WeakPolarHBondContact O-CB 3.38Å; L1592-N1595 WeakPolarHBondContact O-CB 3.37Å; L1592-N1595 PolarHBondContact O-ND2 3.18Å; L1592-N1595 VanDerWaalsContact O-ND2 3.14Å; G1593-N1595 VanDerWaalsContact C-N 3.29Å; G1593-N1595 PolarHBondContact O-N 3.06Å; G1593-N1595 VanDerWaalsContact O-N 3.09Å; G1593-N1595 PolarHBondContact O-ND2 3.06Å; G1593-N1595 VanDerWaalsContact O-ND2 3.08Å; N1595-L1597 HydrophobicContact CB-CG 4.48Å; N1595-R1618 PolarHBondContact N-O 3.09Å; N1595-R1618 VanDerWaalsContact N-O 3.11Å; N1595-N1619 WeakPolarHBondContact CA-OD1 3.33Å; N1595-N1619 WeakPolarHBondContact CB-OD1 3.28Å; N1595-N1619 PolarHBondContact N-OD1 2.92Å; N1595-N1619 PolarHBondContact O-OD1 3.18Å; N1595-N1619 VanDerWaalsContact O-OD1 3.12Å |
| 1596 | C | 96.8 | Very high | 95.3 | Very high | 31 Ų | 31 | 33.5 Ų | 33.5 | 21% | 0.209 | 19% | 0.186 | C | C | . | . | trans | -109.2 | 18 | -177.1 | 49.5 | 0 | 0 | 0 | 0 | 114.6 | K1571 I1572 C1573 A1598 N1619 | K1571-C1596 VanDerWaalsContact C-SG 3.52Å; K1571-C1596 PolarHBondContact O-SG 3.02Å; K1571-C1596 VanDerWaalsContact O-SG 3.37Å; I1572-C1596 CarbonylContact O-C 3.4Å; I1572-C1596 PolarHBondContact O-N 3.05Å; I1572-C1596 VanDerWaalsContact O-N 3.1Å; I1572-C1596 PolarHBondContact O-SG 3.18Å; I1572-C1596 VanDerWaalsContact O-SG 3.37Å; C1573-C1596 WeakPolarHBondContact CA-SG 3.35Å; C1573-C1596 HydrophobicContact CB-CB 4.09Å; C1573-C1596 WeakPolarHBondContact CB-SG 3.45Å; C1573-C1596 PolarHBondContact N-SG 3.04Å; C1573-C1596 WeakPolarHBondContact SG-CB 3.39Å; C1573-C1596 CovalentContact SG-SG 2.04Å; C1573-C1596 PolarHBondContact SG-SG 3.01Å; C1596-A1598 PolarHBondContact O-N 2.93Å; C1596-A1598 VanDerWaalsContact O-N 3.15Å; C1596-N1619 PolarHBondContact N-OD1 3.13Å | ||
| 1597 | L | 96.7 | Very high | 95 | Very high | 1.4 Ų | 1.4 | 33.6 Ų | 33.6 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | trans | -56.7 | 117.7 | -178.6 | -59.7 | 171.1 | 0 | 0 | 0 | 111.1 | I1572 V1575 L1592 N1595 P1601 L1616 N1619 N1620 I1621 | I1572-L1597 HydrophobicContact CG2-CD2 4.16Å; I1572-L1597 PolarHBondContact O-N 3.09Å; V1575-L1597 HydrophobicContact CG2-CD2 4.27Å; L1592-L1597 HydrophobicContact CB-CD1 4.13Å; L1592-L1597 HydrophobicContact CD1-CD1 4.39Å; N1595-L1597 HydrophobicContact CB-CG 4.48Å; L1597-P1601 HydrophobicContact CD1-CG 4.42Å; L1597-L1616 HydrophobicContact CD1-CD2 3.63Å; L1597-N1619 HydrophobicContact CB-CB 4.18Å; L1597-N1619 VanDerWaalsContact CB-OD1 3.28Å; L1597-N1619 WeakPolarHBondContact CB-OD1 3.27Å; L1597-N1619 WeakPolarHBondContact CG-OD1 3.23Å; L1597-N1619 PolarHBondContact N-OD1 3.09Å; L1597-N1620 CarbonylContact O-C 3.57Å; L1597-N1620 VanDerWaalsContact O-C 3.25Å; L1597-N1620 WeakPolarHBondContact O-CA 3.26Å; L1597-N1620 PolarHBondContact O-N 3.16Å; L1597-I1621 PolarHBondContact O-N 2.9Å | ||
| 1598 | A | 94.7 | Very high | 94.9 | Very high | 60.6 Ų | 60.6 | 33.6 Ų | 33.6 | 50% | 0.501 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -82.8 | -17.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | C1596 | C1596-A1598 PolarHBondContact O-N 2.93Å; C1596-A1598 VanDerWaalsContact O-N 3.15Å |
| 1599 | E | 94.9 | Very high | 94.6 | Very high | 94.6 Ų | 94.6 | 37.3 Ų | 37.3 | 44% | 0.442 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -148.2 | 164 | 170.9 | 65 | 174.7 | 178.9 | 0 | 0 | 111.5 | K1625 | E1599-K1625 IonicContact OE2-NZ 3.15Å; E1599-K1625 PolarHBondContact OE2-NZ 3.19Å |
| 1600 | V | 96.1 | Very high | 94.5 | Very high | 1.8 Ų | 1.8 | 39.1 Ų | 39.1 | 1% | 0.011 | 21% | 0.214 | C | C | . | . | trans | -60.8 | 127.7 | 173.4 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | A1602 I1605 L1616 I1621 Q1628 F1629 | V1600-A1602 PolarHBondContact O-N 3.11Å; V1600-I1605 HydrophobicContact CG1-CD1 3.71Å; V1600-L1616 HydrophobicContact CG1-CD1 4.22Å; V1600-L1616 HydrophobicContact CG2-CD1 4.45Å; V1600-I1621 HydrophobicContact CG2-CD1 4.14Å; V1600-I1621 HydrophobicContact CG2-CG2 4.35Å; V1600-Q1628 HydrophobicContact CB-CB 4.21Å; V1600-Q1628 HydrophobicContact CB-CG 4.34Å; V1600-Q1628 HydrophobicContact CG1-CB 4.26Å; V1600-Q1628 HydrophobicContact CG2-CB 4.4Å; V1600-F1629 HydrophobicContact CB-CZ 4.34Å; V1600-F1629 HydrophobicContact CG1-CD1 4.35Å; V1600-F1629 HydrophobicContact CG1-CE1 3.62Å; V1600-F1629 VanDerWaalsContact CG1-CE1 3.49Å; V1600-F1629 HydrophobicContact CG1-CE2 4.37Å; V1600-F1629 HydrophobicContact CG1-CZ 3.69Å; V1600-F1629 HydrophobicContact CG2-CE1 4.37Å; V1600-F1629 HydrophobicContact CG2-CE2 4.15Å; V1600-F1629 HydrophobicContact CG2-CZ 3.68Å | ||
| 1601 | P | 95.3 | Very high | 94.4 | Very high | 17.2 Ų | 17.2 | 39.2 Ų | 39.2 | 11% | 0.112 | 21% | 0.214 | C | C | . | . | trans | -76 | 58.8 | -179.6 | 31.7 | -36.1 | 0 | 0 | 0 | 111.9 | V1575 L1592 L1597 A1603 A1604 I1605 | V1575-P1601 HydrophobicContact CB-CB 4.09Å; V1575-P1601 HydrophobicContact CG2-CB 4.38Å; L1592-P1601 HydrophobicContact CD1-CG 4.41Å; L1597-P1601 HydrophobicContact CD1-CG 4.42Å; P1601-A1603 VanDerWaalsContact C-N 3.27Å; P1601-A1603 PolarHBondContact O-N 2.83Å; P1601-A1603 VanDerWaalsContact O-N 3.11Å; P1601-A1604 HydrophobicContact CB-CB 4.39Å; P1601-A1604 WeakPolarHBondContact O-CB 3.42Å; P1601-A1604 PolarHBondContact O-N 2.98Å; P1601-I1605 HydrophobicContact CG-CG2 4.46Å; P1601-I1605 PolarHBondContact O-N 2.91Å; P1601-I1605 VanDerWaalsContact O-N 3.1Å | ||
| 1602 | A | 93.6 | Very high | 94.3 | Very high | 27.8 Ų | 27.8 | 39.9 Ų | 39.9 | 23% | 0.23 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -31.5 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | V1600 R1606 Q1628 | V1600-A1602 PolarHBondContact O-N 3.11Å; A1602-R1606 WeakPolarHBondContact O-CB 3.28Å; A1602-R1606 PolarHBondContact O-N 3.25Å; A1602-R1606 VanDerWaalsContact O-N 3.13Å; A1602-Q1628 WeakPolarHBondContact CA-O 3.25Å; A1602-Q1628 HydrophobicContact CB-CB 4.06Å; A1602-Q1628 HydrophobicContact CB-CG 4Å; A1602-Q1628 VanDerWaalsContact CB-O 3.3Å; A1602-Q1628 WeakPolarHBondContact CB-O 3.32Å |
| 1603 | A | 92.6 | Very high | 94.1 | Very high | 62.6 Ų | 62.6 | 40.4 Ų | 40.4 | 52% | 0.517 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -42.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | K1577 P1601 R1606 | K1577-A1603 HydrophobicContact CB-CB 3.81Å; P1601-A1603 VanDerWaalsContact C-N 3.27Å; P1601-A1603 PolarHBondContact O-N 2.83Å; P1601-A1603 VanDerWaalsContact O-N 3.11Å; A1603-R1606 PolarHBondContact O-N 3.01Å |
| 1604 | A | 93.5 | Very high | 94.1 | Very high | 0.6 Ų | 0.6 | 40.4 Ų | 40.4 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -43.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1575 H1576 K1577 F1580 K1584 P1601 R1606 | V1575-A1604 HydrophobicContact CB-CB 4.24Å; V1575-A1604 HydrophobicContact CG1-CB 3.68Å; H1576-A1604 VanDerWaalsContact O-CB 3.3Å; H1576-A1604 WeakPolarHBondContact O-CB 3.34Å; K1577-A1604 WeakPolarHBondContact O-CA 3.34Å; F1580-A1604 HydrophobicContact CD2-CB 4.33Å; F1580-A1604 HydrophobicContact CE2-CB 4.48Å; K1584-A1604 WeakPolarHBondContact CE-O 3.35Å; K1584-A1604 PolarHBondContact NZ-O 3.15Å; P1601-A1604 HydrophobicContact CB-CB 4.39Å; P1601-A1604 WeakPolarHBondContact O-CB 3.42Å; P1601-A1604 PolarHBondContact O-N 2.98Å; A1604-R1606 VanDerWaalsContact C-N 3.27Å; A1604-R1606 PolarHBondContact O-N 3.06Å |
| 1605 | I | 93.9 | Very high | 94.1 | Very high | 1.8 Ų | 1.8 | 37.9 Ų | 37.9 | 1% | 0.009 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -1.7 | 178.8 | 67 | 172.9 | 0 | 0 | 0 | 114.2 | L1590 V1600 P1601 G1607 F1608 L1614 F1629 L1632 | L1590-I1605 HydrophobicContact CD2-CG2 4.27Å; V1600-I1605 HydrophobicContact CG1-CD1 3.71Å; P1601-I1605 HydrophobicContact CG-CG2 4.46Å; P1601-I1605 PolarHBondContact O-N 2.91Å; P1601-I1605 VanDerWaalsContact O-N 3.1Å; I1605-G1607 PolarHBondContact O-N 3.18Å; I1605-F1608 HydrophobicContact CB-CD2 4.46Å; I1605-F1608 WeakPolarHBondContact O-CD2 3.32Å; I1605-L1614 HydrophobicContact CB-CD2 4.46Å; I1605-L1614 HydrophobicContact CD1-CD2 3.7Å; I1605-L1614 HydrophobicContact CG2-CD1 4.29Å; I1605-L1614 HydrophobicContact CG2-CD2 4.25Å; I1605-F1629 HydrophobicContact CD1-CD1 3.77Å; I1605-F1629 HydrophobicContact CD1-CE1 3.89Å; I1605-L1632 HydrophobicContact CB-CD1 4.4Å; I1605-L1632 HydrophobicContact CD1-CD1 4.27Å; I1605-L1632 HydrophobicContact CG1-CD1 4.16Å; I1605-L1632 VanDerWaalsContact O-CD2 3.25Å; I1605-L1632 WeakPolarHBondContact O-CD2 3.29Å |
| 1606 | R | 91.1 | Very high | 94.1 | Very high | 144.2 Ų | 144.2 | 37.3 Ų | 37.3 | 54% | 0.544 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | 125.9 | -179.5 | -168.8 | 170.5 | -175.6 | 179.9 | 1 | 111.6 | K1584 A1602 A1603 A1604 I1630 | K1584-R1606 WeakPolarHBondContact CE-O 3.43Å; K1584-R1606 PolarHBondContact NZ-O 3.05Å; K1584-R1606 VanDerWaalsContact NZ-O 3.09Å; A1602-R1606 WeakPolarHBondContact O-CB 3.28Å; A1602-R1606 PolarHBondContact O-N 3.25Å; A1602-R1606 VanDerWaalsContact O-N 3.13Å; A1603-R1606 PolarHBondContact O-N 3.01Å; A1604-R1606 VanDerWaalsContact C-N 3.27Å; A1604-R1606 PolarHBondContact O-N 3.06Å; R1606-I1630 HydrophobicContact CG-CG2 4.16Å |
| 1607 | G | 86.6 | Confident | 94.1 | Very high | 32.4 Ų | 32.4 | 37.2 Ų | 37.2 | 33% | 0.334 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | 9.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | I1605 K1609 N1631 | I1605-G1607 PolarHBondContact O-N 3.18Å; G1607-K1609 PolarHBondContact O-N 3.2Å; G1607-K1609 VanDerWaalsContact O-N 3.13Å; G1607-N1631 WeakPolarHBondContact CA-O 3.08Å |
| 1608 | F | 92.9 | Very high | 94.2 | Very high | 0.8 Ų | 0.8 | 41.3 Ų | 41.3 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | trans | -60 | 117.2 | 164.2 | -80.5 | -94.7 | 0 | 0 | 0 | 109.6 | F1580 K1584 L1587 L1590 I1605 L1611 L1632 | F1580-F1608 HydrophobicContact CB-CE1 4.34Å; F1580-F1608 HydrophobicContact CB-CE2 4.13Å; F1580-F1608 HydrophobicContact CB-CZ 3.51Å; F1580-F1608 AromaticContact CD2-CE2 3.91Å; F1580-F1608 HydrophobicContact CD2-CE2 4.16Å; F1580-F1608 AromaticContact CD2-CZ 3.88Å; F1580-F1608 HydrophobicContact CD2-CZ 3.91Å; F1580-F1608 HydrophobicContact CG-CE2 4.34Å; F1580-F1608 AromaticContact CG-CZ 3.85Å; F1580-F1608 HydrophobicContact CG-CZ 3.93Å; K1584-F1608 HydrophobicContact CB-CD1 4.29Å; K1584-F1608 HydrophobicContact CB-CE1 4.43Å; K1584-F1608 HydrophobicContact CB-CG 4.44Å; K1584-F1608 HydrophobicContact CD-CD2 4.3Å; K1584-F1608 HydrophobicContact CD-CE2 4.3Å; K1584-F1608 HydrophobicContact CG-CD1 3.97Å; K1584-F1608 HydrophobicContact CG-CD2 3.72Å; K1584-F1608 HydrophobicContact CG-CE1 3.88Å; K1584-F1608 HydrophobicContact CG-CE2 3.65Å; K1584-F1608 HydrophobicContact CG-CG 3.89Å; K1584-F1608 HydrophobicContact CG-CZ 3.76Å; L1587-F1608 HydrophobicContact CB-CD1 4.11Å; L1587-F1608 HydrophobicContact CB-CE1 3.74Å; L1587-F1608 HydrophobicContact CD2-CD1 4.45Å; L1587-F1608 HydrophobicContact CD2-CE1 3.59Å; L1587-F1608 VanDerWaalsContact CD2-CE1 3.5Å; L1587-F1608 HydrophobicContact CD2-CZ 4.18Å; L1587-F1608 HydrophobicContact CG-CE1 4.29Å; L1590-F1608 HydrophobicContact CD2-CE2 4.28Å; L1590-F1608 HydrophobicContact CD2-CZ 4.13Å; I1605-F1608 HydrophobicContact CB-CD2 4.46Å; I1605-F1608 WeakPolarHBondContact O-CD2 3.32Å; F1608-L1611 HydrophobicContact CB-CB 3.68Å; F1608-L1611 HydrophobicContact CB-CD2 4.24Å; F1608-L1611 HydrophobicContact CB-CG 4.5Å; F1608-L1611 HydrophobicContact CD1-CB 4.22Å; F1608-L1611 HydrophobicContact CD1-CD1 4.36Å; F1608-L1611 HydrophobicContact CD2-CD2 4.44Å; F1608-L1611 HydrophobicContact CG-CB 4.19Å; F1608-L1611 HydrophobicContact CG-CD2 4.3Å; F1608-L1632 HydrophobicContact CB-CD2 3.79Å | ||
| 1609 | K | 90.3 | Very high | 94.3 | Very high | 137.8 Ų | 137.8 | 38.6 Ų | 38.6 | 60% | 0.599 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -88.1 | -27 | -176.8 | -67.8 | 178.6 | -175.1 | 171.7 | 0 | 113.3 | K1584 G1607 M1634 | K1584-K1609 PolarHBondContact O-N 2.92Å; G1607-K1609 PolarHBondContact O-N 3.2Å; G1607-K1609 VanDerWaalsContact O-N 3.13Å; K1609-M1634 WeakPolarHBondContact O-CB 2.99Å; K1609-M1634 VanDerWaalsContact O-CG 3.3Å; K1609-M1634 WeakPolarHBondContact O-CG 3.23Å; K1609-M1634 VanDerWaalsContact O-SD 3.38Å |
| 1610 | H | 93 | Very high | 94.4 | Very high | 74 Ų | 74 | 37.7 Ų | 37.7 | 34% | 0.343 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -115.1 | 1.6 | -171.2 | -63.2 | -73.4 | 0 | 0 | 0 | 114.1 | P1585 L1587 Q1588 L1612 M1634 | P1585-H1610 PolarHBondContact O-CD2 3.07Å; P1585-H1610 VanDerWaalsContact O-CD2 3.26Å; L1587-H1610 CarbonylContact O-C 3.4Å; L1587-H1610 VanDerWaalsContact O-C 3.29Å; Q1588-H1610 WeakPolarHBondContact CA-O 3.4Å; Q1588-H1610 HydrophobicContact CG-CB 4.45Å; H1610-L1612 PolarHBondContact O-N 3.27Å; H1610-L1612 VanDerWaalsContact O-N 3.13Å; H1610-M1634 VanDerWaalsContact CA-SD 3.59Å; H1610-M1634 HydrophobicContact CB-CE 4.29Å; H1610-M1634 HydrophobicContact CB-SD 4.39Å; H1610-M1634 PolarHBondContact ND1-SD 3.1Å; H1610-M1634 VanDerWaalsContact ND1-SD 3.36Å; H1610-M1634 VanDerWaalsContact O-CE 3.28Å; H1610-M1634 WeakPolarHBondContact O-CE 3.41Å |
| 1611 | L | 95.7 | Very high | 94.4 | Very high | 1.2 Ų | 1.2 | 37.6 Ų | 37.6 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | trans | -64.8 | 115.1 | 177.6 | -172 | 75.3 | 0 | 0 | 0 | 110 | L1587 Q1588 L1590 F1608 A1613 L1614 L1632 M1634 L1635 | L1587-L1611 HydrophobicContact CD2-CD1 4.3Å; L1587-L1611 VanDerWaalsContact O-CA 3.27Å; L1587-L1611 WeakPolarHBondContact O-CA 3.35Å; L1587-L1611 PolarHBondContact O-N 3.07Å; L1587-L1611 VanDerWaalsContact O-N 3.08Å; Q1588-L1611 CarbonylContact O-C 3.45Å; L1590-L1611 HydrophobicContact CB-CD1 3.84Å; F1608-L1611 HydrophobicContact CB-CB 3.68Å; F1608-L1611 HydrophobicContact CB-CD2 4.24Å; F1608-L1611 HydrophobicContact CB-CG 4.5Å; F1608-L1611 HydrophobicContact CD1-CB 4.22Å; F1608-L1611 HydrophobicContact CD1-CD1 4.36Å; F1608-L1611 HydrophobicContact CD2-CD2 4.44Å; F1608-L1611 HydrophobicContact CG-CB 4.19Å; F1608-L1611 HydrophobicContact CG-CD2 4.3Å; L1611-A1613 VanDerWaalsContact CD1-O 3.3Å; L1611-A1613 WeakPolarHBondContact CD1-O 3.23Å; L1611-L1614 HydrophobicContact CD2-CB 4.21Å; L1611-L1614 HydrophobicContact CD2-CD1 4.5Å; L1611-L1632 HydrophobicContact CD2-CD2 4.35Å; L1611-M1634 CarbonylContact O-C 3.45Å; L1611-M1634 VanDerWaalsContact O-C 3.26Å; L1611-M1634 WeakPolarHBondContact O-CB 3.35Å; L1611-L1635 HydrophobicContact CD2-CD1 4.2Å; L1611-L1635 HydrophobicContact CG-CD1 4.2Å; L1611-L1635 WeakPolarHBondContact O-CA 3.34Å; L1611-L1635 PolarHBondContact O-N 3.24Å; L1611-L1635 VanDerWaalsContact O-N 3.1Å | ||
| 1612 | L | 94.4 | Very high | 94.4 | Very high | 47.8 Ų | 47.8 | 40 Ų | 40 | 25% | 0.25 | 21% | 0.21 | S | C | . | . | trans | -92.8 | -33.3 | 177.3 | -64 | 176.5 | 0 | 0 | 0 | 112 | Q1588 H1610 M1634 S1636 L1637 A1956 | Q1588-L1612 HydrophobicContact CB-CD1 4.27Å; Q1588-L1612 HydrophobicContact CB-CG 4.4Å; Q1588-L1612 HydrophobicContact CG-CD1 4.44Å; Q1588-L1612 CarbonylContact O-C 3.15Å; Q1588-L1612 WeakPolarHBondContact O-CA 3.28Å; Q1588-L1612 WeakPolarHBondContact O-CB 3.39Å; Q1588-L1612 PolarHBondContact O-N 2.9Å; Q1588-L1612 VanDerWaalsContact OE1-CD1 3.3Å; H1610-L1612 PolarHBondContact O-N 3.27Å; H1610-L1612 VanDerWaalsContact O-N 3.13Å; L1612-M1634 WeakPolarHBondContact CA-O 3.29Å; L1612-M1634 HydrophobicContact CD1-CE 4.47Å; L1612-M1634 HydrophobicContact CD2-CB 4.22Å; L1612-M1634 HydrophobicContact CD2-CE 3.88Å; L1612-M1634 WeakPolarHBondContact CD2-O 3.45Å; L1612-M1634 HydrophobicContact CG-CE 3.74Å; L1612-S1636 CarbonylContact O-C 2.97Å; L1612-S1636 WeakPolarHBondContact O-CA 3.29Å; L1612-S1636 WeakPolarHBondContact O-CB 3.47Å; L1612-S1636 PolarHBondContact O-N 3.04Å; L1612-L1637 PolarHBondContact O-N 3.05Å; L1612-A1956 HydrophobicContact CD1-CB 3.52Å | ||
| 1613 | A | 93.6 | Very high | 94.5 | Very high | 10.8 Ų | 10.8 | 39.7 Ų | 39.7 | 9% | 0.089 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 132.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q1588 T1589 L1590 L1611 L1637 | Q1588-A1613 PolarHBondContact O-N 3.1Å; Q1588-A1613 VanDerWaalsContact O-N 3.14Å; T1589-A1613 WeakPolarHBondContact CA-O 3.49Å; T1589-A1613 HydrophobicContact CG2-CB 4.1Å; L1590-A1613 PolarHBondContact N-O 3.05Å; L1590-A1613 VanDerWaalsContact N-O 3.14Å; L1611-A1613 VanDerWaalsContact CD1-O 3.3Å; L1611-A1613 WeakPolarHBondContact CD1-O 3.23Å; A1613-L1637 WeakPolarHBondContact CA-O 3.3Å; A1613-L1637 HydrophobicContact CB-CB 4.07Å; A1613-L1637 HydrophobicContact CB-CD1 4.12Å; A1613-L1637 HydrophobicContact CB-CD2 4.37Å; A1613-L1637 HydrophobicContact CB-CG 4.29Å |
| 1614 | L | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 120 | 174.8 | -179.4 | 58.6 | 0 | 0 | 0 | 110.1 | L1590 I1605 L1611 L1616 F1629 L1635 L1637 L1638 N1639 | L1590-L1614 HydrophobicContact CB-CD1 4.16Å; L1590-L1614 HydrophobicContact CD2-CD1 4.04Å; L1590-L1614 HydrophobicContact CG-CD1 4.17Å; L1590-L1614 WeakPolarHBondContact O-CA 3.18Å; I1605-L1614 HydrophobicContact CB-CD2 4.46Å; I1605-L1614 HydrophobicContact CD1-CD2 3.7Å; I1605-L1614 HydrophobicContact CG2-CD1 4.29Å; I1605-L1614 HydrophobicContact CG2-CD2 4.25Å; L1611-L1614 HydrophobicContact CD2-CB 4.21Å; L1611-L1614 HydrophobicContact CD2-CD1 4.5Å; L1614-L1616 HydrophobicContact CD1-CG 4.43Å; L1614-L1616 HydrophobicContact CD2-CD1 4.11Å; L1614-L1616 HydrophobicContact CG-CD1 4.16Å; L1614-L1616 HydrophobicContact CG-CG 4.28Å; L1614-F1629 HydrophobicContact CD2-CD1 4.21Å; L1614-F1629 HydrophobicContact CD2-CE1 3.85Å; L1614-L1635 HydrophobicContact CB-CD1 3.77Å; L1614-L1635 HydrophobicContact CB-CD2 3.95Å; L1614-L1635 HydrophobicContact CB-CG 4.4Å; L1614-L1635 HydrophobicContact CD2-CD2 4.07Å; L1614-L1637 PolarHBondContact N-O 2.95Å; L1614-L1637 WeakPolarHBondContact O-CD2 3.39Å; L1614-L1638 HydrophobicContact CB-CD1 4.14Å; L1614-L1638 HydrophobicContact CD2-CD1 4.14Å; L1614-L1638 HydrophobicContact CG-CD1 4.2Å; L1614-L1638 WeakPolarHBondContact O-CA 3.43Å; L1614-N1639 PolarHBondContact O-N 3Å; L1614-N1639 VanDerWaalsContact O-N 3.14Å |
| 1615 | H | 96.9 | Very high | 94.6 | Very high | 34.4 Ų | 34.4 | 41.9 Ų | 41.9 | 16% | 0.159 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 118.6 | -177.1 | -66.3 | -98.7 | 0 | 0 | 0 | 110.5 | L1590 N1591 L1592 G1593 Q1617 L1637 Y1957 | L1590-H1615 PolarHBondContact O-N 3.02Å; N1591-H1615 HydrophobicContact CB-CB 4.13Å; N1591-H1615 WeakPolarHBondContact OD1-CB 3.42Å; L1592-H1615 CarbonylContact C-O 3.53Å; L1592-H1615 WeakPolarHBondContact CA-O 3.37Å; L1592-H1615 PolarHBondContact N-O 3.27Å; G1593-H1615 PolarHBondContact N-O 3.08Å; H1615-Q1617 VanDerWaalsContact CB-OE1 3.25Å; H1615-Q1617 PolarHBondContact ND1-OE1 3.19Å; H1615-L1637 WeakPolarHBondContact CE1-CD1 3.29Å; H1615-L1637 WeakPolarHBondContact NE2-CD1 3.25Å; H1615-Y1957 PolarHBondContact CE1-O 2.58Å; H1615-Y1957 PolarHBondContact ND1-O 3.16Å |
| 1616 | L | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -131.2 | 11.4 | -178.3 | -70.7 | 167.4 | 0 | 0 | 0 | 111.8 | L1592 L1597 V1600 L1614 N1619 I1621 F1629 L1638 N1639 L1640 N1643 | L1592-L1616 HydrophobicContact CB-CD2 4Å; L1592-L1616 HydrophobicContact CD1-CD2 4.39Å; L1597-L1616 HydrophobicContact CD1-CD2 3.63Å; V1600-L1616 HydrophobicContact CG1-CD1 4.22Å; V1600-L1616 HydrophobicContact CG2-CD1 4.45Å; L1614-L1616 HydrophobicContact CD1-CG 4.43Å; L1614-L1616 HydrophobicContact CD2-CD1 4.11Å; L1614-L1616 HydrophobicContact CG-CD1 4.16Å; L1614-L1616 HydrophobicContact CG-CG 4.28Å; L1616-N1619 PolarHBondContact O-ND2 3.07Å; L1616-I1621 HydrophobicContact CB-CD1 4.23Å; L1616-I1621 HydrophobicContact CD1-CD1 4.48Å; L1616-F1629 HydrophobicContact CD1-CE1 4.16Å; L1616-F1629 HydrophobicContact CD1-CZ 4.27Å; L1616-L1638 HydrophobicContact CD1-CD1 4.4Å; L1616-N1639 CarbonylContact C-O 3.37Å; L1616-N1639 VanDerWaalsContact C-O 3.29Å; L1616-N1639 WeakPolarHBondContact CA-O 3.39Å; L1616-N1639 WeakPolarHBondContact CB-O 3.4Å; L1616-N1639 PolarHBondContact N-O 2.99Å; L1616-L1640 HydrophobicContact CB-CD2 3.82Å; L1616-L1640 HydrophobicContact CD1-CD2 4Å; L1616-N1643 PolarHBondContact O-ND2 3.09Å | ||
| 1617 | Q | 96.7 | Very high | 94.5 | Very high | 28.8 Ų | 28.8 | 40.9 Ų | 40.9 | 14% | 0.135 | 22% | 0.216 | C | C | . | . | trans | -59.7 | 150.7 | 179.2 | 68.1 | -72.3 | -17.4 | 0 | 0 | 112.8 | N1591 G1593 K1594 H1615 N1619 N1639 A1641 | N1591-Q1617 PolarHBondContact OD1-NE2 3.12Å; G1593-Q1617 CarbonylContact C-O 3.35Å; G1593-Q1617 WeakPolarHBondContact CA-O 3.35Å; K1594-Q1617 PolarHBondContact N-O 3.18Å; H1615-Q1617 VanDerWaalsContact CB-OE1 3.25Å; H1615-Q1617 PolarHBondContact ND1-OE1 3.19Å; Q1617-N1619 PolarHBondContact O-N 3.29Å; Q1617-N1619 PolarHBondContact O-ND2 2.92Å; Q1617-N1639 PolarHBondContact N-O 3.27Å; Q1617-N1639 VanDerWaalsContact N-O 3.09Å; Q1617-N1639 PolarHBondContact OE1-ND2 2.79Å; Q1617-A1641 CarbonylContact C-O 3.41Å; Q1617-A1641 WeakPolarHBondContact CA-O 3.28Å; Q1617-A1641 HydrophobicContact CB-CB 4.21Å; Q1617-A1641 VanDerWaalsContact CB-O 3.28Å; Q1617-A1641 WeakPolarHBondContact CB-O 3.27Å | ||
| 1618 | R | 96.8 | Very high | 94.8 | Very high | 88 Ų | 88 | 39.9 Ų | 39.9 | 33% | 0.332 | 20% | 0.202 | S | C | . | . | S | Bend | trans | 57.9 | 52.4 | -179.7 | -61.7 | -180 | 174.4 | -165.4 | -1.4 | 112.5 | K1594 N1595 A1641 N1642 N1643 S1936 A1958 D1960 E1989 | K1594-R1618 CarbonylContact C-O 3.46Å; K1594-R1618 WeakPolarHBondContact CA-O 3.39Å; K1594-R1618 HydrophobicContact CB-CB 4.29Å; K1594-R1618 HydrophobicContact CG-CB 4.1Å; K1594-R1618 HydrophobicContact CG-CG 4.48Å; K1594-R1618 PolarHBondContact N-O 3.16Å; K1594-R1618 VanDerWaalsContact N-O 3.15Å; N1595-R1618 PolarHBondContact N-O 3.09Å; N1595-R1618 VanDerWaalsContact N-O 3.11Å; R1618-A1641 PolarHBondContact N-O 3.01Å; R1618-N1642 VanDerWaalsContact CA-O 3.27Å; R1618-N1642 WeakPolarHBondContact CA-O 3.36Å; R1618-N1642 HydrophobicContact CB-CB 4.32Å; R1618-N1642 HydrophobicContact CG-CB 3.63Å; R1618-N1642 VanDerWaalsContact CG-CB 3.42Å; R1618-N1642 WeakPolarHBondContact CG-ND2 3.39Å; R1618-N1642 WeakPolarHBondContact CG-OD1 3.27Å; R1618-N1642 PolarHBondContact N-O 3Å; R1618-N1642 PolarHBondContact NE-ND2 3.47Å; R1618-N1642 VanDerWaalsContact NE-ND2 3.11Å; R1618-N1642 PolarHBondContact NE-OD1 3.03Å; R1618-N1643 PolarHBondContact N-ND2 3.13Å; R1618-S1936 PolarHBondContact NH1-O 2.69Å; R1618-S1936 PolarHBondContact NH2-O 3.41Å; R1618-A1958 PolarHBondContact NH1-O 3.05Å; R1618-A1958 PolarHBondContact NH2-O 2.94Å; R1618-D1960 WeakPolarHBondContact CD-OD2 3.26Å; R1618-D1960 IonicContact CZ-OD1 2.74Å; R1618-D1960 IonicContact CZ-OD2 2.73Å; R1618-D1960 IonicContact NE-OD2 3.66Å; R1618-D1960 PolarHBondContact NE-OD2 3.28Å; R1618-D1960 PolarHBondContact NH1-O 2.86Å; R1618-D1960 IonicContact NH1-OD1 3.71Å; R1618-D1960 PolarHBondContact NH1-OD1 3.08Å; R1618-D1960 IonicContact NH1-OD2 3.17Å; R1618-D1960 PolarHBondContact NH1-OD2 3.15Å; R1618-D1960 PolarHBondContact NH2-O 2.9Å; R1618-E1989 PolarHBondContact NH2-O 3.12Å |
| 1619 | N | 97.3 | Very high | 94.8 | Very high | 4.8 Ų | 4.8 | 39.8 Ų | 39.8 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -122.4 | -176.3 | 168.7 | -82.5 | -83.5 | 0 | 0 | 0 | 109.4 | L1592 N1595 C1596 L1597 L1616 Q1617 I1621 N1643 | L1592-N1619 PolarHBondContact O-ND2 3.02Å; N1595-N1619 WeakPolarHBondContact CA-OD1 3.33Å; N1595-N1619 WeakPolarHBondContact CB-OD1 3.28Å; N1595-N1619 PolarHBondContact N-OD1 2.92Å; N1595-N1619 PolarHBondContact O-OD1 3.18Å; N1595-N1619 VanDerWaalsContact O-OD1 3.12Å; C1596-N1619 PolarHBondContact N-OD1 3.13Å; L1597-N1619 HydrophobicContact CB-CB 4.18Å; L1597-N1619 VanDerWaalsContact CB-OD1 3.28Å; L1597-N1619 WeakPolarHBondContact CB-OD1 3.27Å; L1597-N1619 WeakPolarHBondContact CG-OD1 3.23Å; L1597-N1619 PolarHBondContact N-OD1 3.09Å; L1616-N1619 PolarHBondContact O-ND2 3.07Å; Q1617-N1619 PolarHBondContact O-N 3.29Å; Q1617-N1619 PolarHBondContact O-ND2 2.92Å; N1619-I1621 HydrophobicContact CB-CD1 4.33Å; N1619-I1621 HydrophobicContact CB-CG1 4.11Å; N1619-N1643 WeakPolarHBondContact CA-OD1 3.33Å; N1619-N1643 VanDerWaalsContact CB-OD1 3.24Å; N1619-N1643 WeakPolarHBondContact CB-OD1 3.41Å; N1619-N1643 PolarHBondContact N-OD1 3.12Å; N1619-N1643 PolarHBondContact O-OD1 3.12Å; N1619-N1643 VanDerWaalsContact O-OD1 3.06Å |
| 1620 | N | 97.1 | Very high | 94.8 | Very high | 74 Ų | 74 | 34.7 Ų | 34.7 | 40% | 0.396 | 18% | 0.181 | S | C | . | . | trans | -100.9 | 29.8 | 179.7 | -67.6 | -39 | 0 | 0 | 0 | 112.4 | L1597 T1622 Q1644 | L1597-N1620 CarbonylContact O-C 3.57Å; L1597-N1620 VanDerWaalsContact O-C 3.25Å; L1597-N1620 WeakPolarHBondContact O-CA 3.26Å; L1597-N1620 PolarHBondContact O-N 3.16Å; N1620-T1622 PolarHBondContact O-N 3.06Å; N1620-Q1644 PolarHBondContact OD1-NE2 3.08Å; N1620-Q1644 VanDerWaalsContact OD1-NE2 3.16Å | ||
| 1621 | I | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -71.5 | 117.7 | -175.6 | -56.9 | 172.6 | 0 | 0 | 0 | 109.2 | L1597 V1600 L1616 N1619 L1640 N1643 Q1644 I1645 | L1597-I1621 PolarHBondContact O-N 2.9Å; V1600-I1621 HydrophobicContact CG2-CD1 4.14Å; V1600-I1621 HydrophobicContact CG2-CG2 4.35Å; L1616-I1621 HydrophobicContact CB-CD1 4.23Å; L1616-I1621 HydrophobicContact CD1-CD1 4.48Å; N1619-I1621 HydrophobicContact CB-CD1 4.33Å; N1619-I1621 HydrophobicContact CB-CG1 4.11Å; I1621-L1640 HydrophobicContact CD1-CD2 3.96Å; I1621-N1643 HydrophobicContact CB-CB 4.4Å; I1621-N1643 VanDerWaalsContact CB-OD1 3.28Å; I1621-N1643 WeakPolarHBondContact CB-OD1 3.19Å; I1621-N1643 WeakPolarHBondContact CG1-OD1 3.3Å; I1621-N1643 PolarHBondContact N-OD1 3.06Å; I1621-N1643 VanDerWaalsContact N-OD1 3.11Å; I1621-Q1644 CarbonylContact O-C 3.36Å; I1621-Q1644 VanDerWaalsContact O-C 3.24Å; I1621-Q1644 WeakPolarHBondContact O-CA 3.37Å; I1621-Q1644 PolarHBondContact O-N 3.1Å; I1621-I1645 HydrophobicContact CB-CG1 4.44Å; I1621-I1645 HydrophobicContact CG2-CD1 4.46Å; I1621-I1645 HydrophobicContact CG2-CG1 4.15Å; I1621-I1645 VanDerWaalsContact O-CG1 3.29Å; I1621-I1645 WeakPolarHBondContact O-CG1 3.42Å; I1621-I1645 PolarHBondContact O-N 3.13Å; I1621-I1645 VanDerWaalsContact O-N 3.14Å | ||
| 1622 | T | 95.3 | Very high | 94.4 | Very high | 68.8 Ų | 68.8 | 34.3 Ų | 34.3 | 42% | 0.422 | 18% | 0.181 | S | C | . | . | trans | -94.6 | -24.8 | -175.1 | 48.6 | 0 | 0 | 0 | 0 | 114.6 | N1620 Q1644 I1645 E1646 | N1620-T1622 PolarHBondContact O-N 3.06Å; T1622-Q1644 WeakPolarHBondContact CA-O 3.17Å; T1622-Q1644 HydrophobicContact CG2-CB 4.1Å; T1622-I1645 WeakPolarHBondContact O-CA 3.41Å; T1622-E1646 PolarHBondContact O-N 3.07Å | ||
| 1623 | A | 94.9 | Very high | 94.2 | Very high | 21 Ų | 21 | 34.2 Ų | 34.2 | 17% | 0.174 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 142.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T1647 | A1623-T1647 WeakPolarHBondContact CA-O 3.24Å; A1623-T1647 WeakPolarHBondContact CB-OG1 3.27Å |
| 1624 | V | 94.8 | Very high | 94.2 | Very high | 2.4 Ų | 2.4 | 36.7 Ų | 36.7 | 2% | 0.015 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 106.6 | 171.4 | -169 | 0 | 0 | 0 | 0 | 109 | F1629 L1640 I1645 T1647 I1648 H1649 S1652 | V1624-F1629 HydrophobicContact CG1-CD2 4.25Å; V1624-F1629 HydrophobicContact CG1-CE2 3.74Å; V1624-L1640 HydrophobicContact CG2-CD1 4.3Å; V1624-I1645 HydrophobicContact CG2-CD1 3.96Å; V1624-I1645 HydrophobicContact CG2-CG1 4.42Å; V1624-I1645 HydrophobicContact CG2-CG2 4.14Å; V1624-T1647 PolarHBondContact N-O 3.12Å; V1624-I1648 HydrophobicContact CB-CB 4.43Å; V1624-I1648 HydrophobicContact CB-CG1 4.19Å; V1624-I1648 HydrophobicContact CB-CG2 4.23Å; V1624-I1648 HydrophobicContact CG2-CG1 4.08Å; V1624-H1649 PolarHBondContact O-N 3.02Å; V1624-S1652 WeakPolarHBondContact CG1-OG 3.32Å; V1624-S1652 PolarHBondContact O-OG 2.97Å; V1624-S1652 VanDerWaalsContact O-OG 3.07Å |
| 1625 | K | 93.3 | Very high | 94.1 | Very high | 107 Ų | 107 | 36.7 Ų | 36.7 | 47% | 0.465 | 19% | 0.194 | S | C | . | . | trans | -82.4 | 162 | -175.8 | -56.7 | 172 | -174.7 | 169.9 | 0 | 111 | E1599 L1627 Q1628 S1652 | E1599-K1625 IonicContact OE2-NZ 3.15Å; E1599-K1625 PolarHBondContact OE2-NZ 3.19Å; K1625-L1627 PolarHBondContact O-N 2.81Å; K1625-Q1628 HydrophobicContact CB-CG 4.04Å; K1625-Q1628 WeakPolarHBondContact O-CG 3.31Å; K1625-Q1628 PolarHBondContact O-N 3.28Å; K1625-S1652 WeakPolarHBondContact O-CB 3.34Å; K1625-S1652 PolarHBondContact O-OG 2.96Å | ||
| 1626 | A | 92 | Very high | 93.9 | Very high | 44 Ų | 44 | 35.9 Ų | 35.9 | 36% | 0.364 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 140.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q1628 H1649 Q1651 | A1626-Q1628 PolarHBondContact O-N 2.87Å; A1626-Q1628 VanDerWaalsContact O-N 3.12Å; A1626-H1649 VanDerWaalsContact CB-ND1 3.32Å; A1626-H1649 WeakPolarHBondContact CB-ND1 3.43Å; A1626-Q1651 HydrophobicContact CB-CB 4.42Å |
| 1627 | L | 90.7 | Very high | 93.7 | Very high | 80.6 Ų | 80.6 | 37 Ų | 37 | 42% | 0.422 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 13.6 | 173.8 | -46.3 | 179 | 0 | 0 | 0 | 116 | K1625 F1629 I1630 Q1651 V1654 | K1625-L1627 PolarHBondContact O-N 2.81Å; L1627-F1629 VanDerWaalsContact C-N 3.29Å; L1627-F1629 PolarHBondContact O-N 2.88Å; L1627-I1630 HydrophobicContact CB-CB 4.23Å; L1627-I1630 HydrophobicContact CB-CD1 4.39Å; L1627-I1630 HydrophobicContact CB-CG2 4.47Å; L1627-I1630 HydrophobicContact CD1-CD1 4.48Å; L1627-I1630 HydrophobicContact CD2-CD1 4.31Å; L1627-I1630 VanDerWaalsContact O-CB 3.3Å; L1627-I1630 WeakPolarHBondContact O-CB 3.4Å; L1627-I1630 VanDerWaalsContact O-CG2 3.27Å; L1627-I1630 WeakPolarHBondContact O-CG2 3.37Å; L1627-I1630 PolarHBondContact O-N 3.11Å; L1627-I1630 VanDerWaalsContact O-N 3.15Å; L1627-Q1651 HydrophobicContact CD2-CB 4.46Å; L1627-Q1651 PolarHBondContact N-O 3.12Å; L1627-V1654 HydrophobicContact CD2-CB 3.94Å; L1627-V1654 HydrophobicContact CD2-CG1 4.29Å; L1627-V1654 HydrophobicContact CD2-CG2 3.69Å |
| 1628 | Q | 92.8 | Very high | 93.7 | Very high | 10.8 Ų | 10.8 | 35.7 Ų | 35.7 | 5% | 0.05 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -30.2 | -179.3 | -80.2 | -176 | -37 | 0 | 0 | 113.9 | V1600 A1602 K1625 A1626 | V1600-Q1628 HydrophobicContact CB-CB 4.21Å; V1600-Q1628 HydrophobicContact CB-CG 4.34Å; V1600-Q1628 HydrophobicContact CG1-CB 4.26Å; V1600-Q1628 HydrophobicContact CG2-CB 4.4Å; A1602-Q1628 WeakPolarHBondContact CA-O 3.25Å; A1602-Q1628 HydrophobicContact CB-CB 4.06Å; A1602-Q1628 HydrophobicContact CB-CG 4Å; A1602-Q1628 VanDerWaalsContact CB-O 3.3Å; A1602-Q1628 WeakPolarHBondContact CB-O 3.32Å; K1625-Q1628 HydrophobicContact CB-CG 4.04Å; K1625-Q1628 WeakPolarHBondContact O-CG 3.31Å; K1625-Q1628 PolarHBondContact O-N 3.28Å; A1626-Q1628 PolarHBondContact O-N 2.87Å; A1626-Q1628 VanDerWaalsContact O-N 3.12Å |
| 1629 | F | 93 | Very high | 93.7 | Very high | 0.6 Ų | 0.6 | 32.1 Ų | 32.1 | 0% | 0.003 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 45.6 | 175.6 | -59.5 | -72.2 | 0 | 0 | 0 | 111.6 | V1600 I1605 L1614 L1616 V1624 L1627 N1631 L1632 L1635 L1638 L1640 S1652 F1653 V1654 V1656 | V1600-F1629 HydrophobicContact CB-CZ 4.34Å; V1600-F1629 HydrophobicContact CG1-CD1 4.35Å; V1600-F1629 HydrophobicContact CG1-CE1 3.62Å; V1600-F1629 VanDerWaalsContact CG1-CE1 3.49Å; V1600-F1629 HydrophobicContact CG1-CE2 4.37Å; V1600-F1629 HydrophobicContact CG1-CZ 3.69Å; V1600-F1629 HydrophobicContact CG2-CE1 4.37Å; V1600-F1629 HydrophobicContact CG2-CE2 4.15Å; V1600-F1629 HydrophobicContact CG2-CZ 3.68Å; I1605-F1629 HydrophobicContact CD1-CD1 3.77Å; I1605-F1629 HydrophobicContact CD1-CE1 3.89Å; L1614-F1629 HydrophobicContact CD2-CD1 4.21Å; L1614-F1629 HydrophobicContact CD2-CE1 3.85Å; L1616-F1629 HydrophobicContact CD1-CE1 4.16Å; L1616-F1629 HydrophobicContact CD1-CZ 4.27Å; V1624-F1629 HydrophobicContact CG1-CD2 4.25Å; V1624-F1629 HydrophobicContact CG1-CE2 3.74Å; L1627-F1629 VanDerWaalsContact C-N 3.29Å; L1627-F1629 PolarHBondContact O-N 2.88Å; F1629-N1631 PolarHBondContact O-N 3.02Å; F1629-L1632 HydrophobicContact CB-CD1 4.32Å; F1629-L1632 HydrophobicContact CD1-CD1 4.29Å; F1629-L1632 WeakPolarHBondContact O-CD1 3.38Å; F1629-L1635 HydrophobicContact CD1-CD2 4.48Å; F1629-L1638 HydrophobicContact CD1-CD1 4.35Å; F1629-L1638 HydrophobicContact CD1-CD2 4.23Å; F1629-L1638 HydrophobicContact CD2-CD2 4.08Å; F1629-L1638 HydrophobicContact CE1-CD1 3.72Å; F1629-L1638 VanDerWaalsContact CE1-CD1 3.44Å; F1629-L1638 HydrophobicContact CE1-CD2 3.98Å; F1629-L1638 HydrophobicContact CE1-CG 4.32Å; F1629-L1638 HydrophobicContact CE2-CD1 4.47Å; F1629-L1638 HydrophobicContact CE2-CD2 3.81Å; F1629-L1638 HydrophobicContact CG-CD2 4.27Å; F1629-L1638 HydrophobicContact CZ-CD1 3.9Å; F1629-L1638 HydrophobicContact CZ-CD2 3.77Å; F1629-L1638 HydrophobicContact CZ-CG 4.39Å; F1629-L1640 HydrophobicContact CE2-CD1 4.24Å; F1629-L1640 HydrophobicContact CZ-CD1 4.14Å; F1629-L1640 HydrophobicContact CZ-CD2 4.43Å; F1629-S1652 CarbonylContact C-O 3.43Å; F1629-S1652 WeakPolarHBondContact CA-O 3.23Å; F1629-S1652 WeakPolarHBondContact CB-O 3.38Å; F1629-S1652 PolarHBondContact N-O 3.01Å; F1629-F1653 HydrophobicContact CB-CD1 3.97Å; F1629-F1653 HydrophobicContact CB-CE1 4.43Å; F1629-F1653 AromaticContact CD2-CD1 3.85Å; F1629-F1653 HydrophobicContact CD2-CD1 3.85Å; F1629-F1653 AromaticContact CD2-CE1 3.62Å; F1629-F1653 HydrophobicContact CD2-CE1 3.62Å; F1629-F1653 VanDerWaalsContact CD2-CE1 3.47Å; F1629-F1653 HydrophobicContact CD2-CZ 4.43Å; F1629-F1653 AromaticContact CE2-CE1 3.99Å; F1629-F1653 HydrophobicContact CE2-CE1 4Å; F1629-F1653 HydrophobicContact CG-CD1 4.18Å; F1629-F1653 HydrophobicContact CG-CE1 4.23Å; F1629-V1654 PolarHBondContact O-N 3.03Å; F1629-V1654 VanDerWaalsContact O-N 3.1Å; F1629-V1656 HydrophobicContact CB-CG1 4.46Å; F1629-V1656 HydrophobicContact CB-CG2 4.28Å; F1629-V1656 WeakPolarHBondContact O-CG1 3.49Å; F1629-V1656 VanDerWaalsContact O-CG2 3.27Å; F1629-V1656 WeakPolarHBondContact O-CG2 3.24Å |
| 1630 | I | 90.2 | Very high | 93.7 | Very high | 28.8 Ų | 28.8 | 31.8 Ų | 31.8 | 15% | 0.148 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 133.7 | -172.4 | -168.4 | 175.8 | 0 | 0 | 0 | 113.6 | R1606 L1627 V1654 | R1606-I1630 HydrophobicContact CG-CG2 4.16Å; L1627-I1630 HydrophobicContact CB-CB 4.23Å; L1627-I1630 HydrophobicContact CB-CD1 4.39Å; L1627-I1630 HydrophobicContact CB-CG2 4.47Å; L1627-I1630 HydrophobicContact CD1-CD1 4.48Å; L1627-I1630 HydrophobicContact CD2-CD1 4.31Å; L1627-I1630 VanDerWaalsContact O-CB 3.3Å; L1627-I1630 WeakPolarHBondContact O-CB 3.4Å; L1627-I1630 VanDerWaalsContact O-CG2 3.27Å; L1627-I1630 WeakPolarHBondContact O-CG2 3.37Å; L1627-I1630 PolarHBondContact O-N 3.11Å; L1627-I1630 VanDerWaalsContact O-N 3.15Å; I1630-V1654 WeakPolarHBondContact CA-O 3.37Å; I1630-V1654 HydrophobicContact CD1-CG1 4.48Å; I1630-V1654 HydrophobicContact CG1-CB 4.4Å; I1630-V1654 HydrophobicContact CG1-CG1 4.37Å |
| 1631 | N | 87.7 | Confident | 93.6 | Very high | 65.8 Ų | 65.8 | 28.6 Ų | 28.6 | 35% | 0.352 | 16% | 0.162 | S | C | . | . | S | Bend | trans | 58.6 | 55.1 | 177.9 | -61.5 | -17.8 | 0 | 0 | 0 | 113.4 | G1607 F1629 P1633 V1654 N1655 | G1607-N1631 WeakPolarHBondContact CA-O 3.08Å; F1629-N1631 PolarHBondContact O-N 3.02Å; N1631-P1633 VanDerWaalsContact C-CD 3.46Å; N1631-P1633 VanDerWaalsContact O-CD 3.29Å; N1631-P1633 WeakPolarHBondContact O-CD 3.28Å; N1631-V1654 PolarHBondContact N-O 3.04Å; N1631-V1654 VanDerWaalsContact N-O 3.11Å; N1631-N1655 WeakPolarHBondContact CA-O 3.4Å; N1631-N1655 PolarHBondContact N-O 3.24Å; N1631-N1655 WeakPolarHBondContact OD1-CB 3.32Å; N1631-N1655 PolarHBondContact OD1-ND2 2.93Å |
| 1632 | L | 92.9 | Very high | 93.6 | Very high | 1.2 Ų | 1.2 | 31.5 Ų | 31.5 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | trans | -114.4 | 70.4 | 172.9 | -71.4 | 174.4 | 0 | 0 | 0 | 109.4 | I1605 F1608 L1611 F1629 M1634 L1635 N1655 V1656 | I1605-L1632 HydrophobicContact CB-CD1 4.4Å; I1605-L1632 HydrophobicContact CD1-CD1 4.27Å; I1605-L1632 HydrophobicContact CG1-CD1 4.16Å; I1605-L1632 VanDerWaalsContact O-CD2 3.25Å; I1605-L1632 WeakPolarHBondContact O-CD2 3.29Å; F1608-L1632 HydrophobicContact CB-CD2 3.79Å; L1611-L1632 HydrophobicContact CD2-CD2 4.35Å; F1629-L1632 HydrophobicContact CB-CD1 4.32Å; F1629-L1632 HydrophobicContact CD1-CD1 4.29Å; F1629-L1632 WeakPolarHBondContact O-CD1 3.38Å; L1632-M1634 VanDerWaalsContact C-N 3.29Å; L1632-M1634 PolarHBondContact O-N 3.15Å; L1632-M1634 VanDerWaalsContact O-N 3.13Å; L1632-L1635 HydrophobicContact CB-CB 3.94Å; L1632-L1635 HydrophobicContact CB-CD2 4.36Å; L1632-L1635 HydrophobicContact CD1-CD2 3.96Å; L1632-L1635 HydrophobicContact CG-CD2 4.34Å; L1632-L1635 WeakPolarHBondContact O-CB 3.28Å; L1632-L1635 PolarHBondContact O-N 3.22Å; L1632-L1635 VanDerWaalsContact O-N 3.16Å; L1632-N1655 PolarHBondContact N-O 2.93Å; L1632-N1655 VanDerWaalsContact N-O 3.15Å; L1632-V1656 HydrophobicContact CB-CG1 3.95Å; L1632-V1656 HydrophobicContact CB-CG2 4.34Å; L1632-V1656 VanDerWaalsContact O-CG1 3.32Å; L1632-V1656 WeakPolarHBondContact O-CG1 3.31Å | ||
| 1633 | P | 91.1 | Very high | 93.7 | Very high | 46.6 Ų | 46.6 | 28.8 Ų | 28.8 | 30% | 0.303 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -16.9 | -160.6 | 29.1 | -37.6 | 0 | 0 | 0 | 114.9 | T1233 N1631 M1658 | T1233-P1633 VanDerWaalsContact CA-O 3.24Å; T1233-P1633 WeakPolarHBondContact CA-O 3.36Å; T1233-P1633 WeakPolarHBondContact CB-O 3.43Å; T1233-P1633 HydrophobicContact CG2-CB 4.17Å; T1233-P1633 VanDerWaalsContact CG2-O 3.28Å; T1233-P1633 WeakPolarHBondContact CG2-O 3.43Å; N1631-P1633 VanDerWaalsContact C-CD 3.46Å; N1631-P1633 VanDerWaalsContact O-CD 3.29Å; N1631-P1633 WeakPolarHBondContact O-CD 3.28Å; P1633-M1658 WeakPolarHBondContact O-CB 3.24Å; P1633-M1658 WeakPolarHBondContact O-CG 3.16Å |
| 1634 | M | 92.5 | Very high | 93.8 | Very high | 62.4 Ų | 62.4 | 31.8 Ų | 31.8 | 31% | 0.307 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -1.4 | 179 | -71.3 | -174.3 | 59.4 | 0 | 0 | 113.8 | P1232 T1233 K1609 H1610 L1611 L1612 L1632 S1636 | P1232-M1634 HydrophobicContact CB-CE 3.56Å; P1232-M1634 HydrophobicContact CB-SD 3.82Å; P1232-M1634 HydrophobicContact CG-CE 3.94Å; P1232-M1634 HydrophobicContact CG-SD 3.65Å; T1233-M1634 VanDerWaalsContact CA-CG 3.44Å; T1233-M1634 HydrophobicContact CG2-CG 3.75Å; T1233-M1634 HydrophobicContact CG2-SD 4.47Å; T1233-M1634 VanDerWaalsContact N-CG 3.31Å; K1609-M1634 WeakPolarHBondContact O-CB 2.99Å; K1609-M1634 VanDerWaalsContact O-CG 3.3Å; K1609-M1634 WeakPolarHBondContact O-CG 3.23Å; K1609-M1634 VanDerWaalsContact O-SD 3.38Å; H1610-M1634 VanDerWaalsContact CA-SD 3.59Å; H1610-M1634 HydrophobicContact CB-CE 4.29Å; H1610-M1634 HydrophobicContact CB-SD 4.39Å; H1610-M1634 PolarHBondContact ND1-SD 3.1Å; H1610-M1634 VanDerWaalsContact ND1-SD 3.36Å; H1610-M1634 VanDerWaalsContact O-CE 3.28Å; H1610-M1634 WeakPolarHBondContact O-CE 3.41Å; L1611-M1634 CarbonylContact O-C 3.45Å; L1611-M1634 VanDerWaalsContact O-C 3.26Å; L1611-M1634 WeakPolarHBondContact O-CB 3.35Å; L1612-M1634 WeakPolarHBondContact CA-O 3.29Å; L1612-M1634 HydrophobicContact CD1-CE 4.47Å; L1612-M1634 HydrophobicContact CD2-CB 4.22Å; L1612-M1634 HydrophobicContact CD2-CE 3.88Å; L1612-M1634 WeakPolarHBondContact CD2-O 3.45Å; L1612-M1634 HydrophobicContact CG-CE 3.74Å; L1632-M1634 VanDerWaalsContact C-N 3.29Å; L1632-M1634 PolarHBondContact O-N 3.15Å; L1632-M1634 VanDerWaalsContact O-N 3.13Å; M1634-S1636 VanDerWaalsContact C-N 3.27Å; M1634-S1636 PolarHBondContact O-N 3.27Å; M1634-S1636 VanDerWaalsContact O-N 3.14Å |
| 1635 | L | 95 | Very high | 93.8 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -66.3 | 110.9 | -173.1 | -175.6 | 69.9 | 0 | 0 | 0 | 111.1 | L1611 L1614 F1629 L1632 L1637 L1638 V1656 M1658 I1659 | L1611-L1635 HydrophobicContact CD2-CD1 4.2Å; L1611-L1635 HydrophobicContact CG-CD1 4.2Å; L1611-L1635 WeakPolarHBondContact O-CA 3.34Å; L1611-L1635 PolarHBondContact O-N 3.24Å; L1611-L1635 VanDerWaalsContact O-N 3.1Å; L1614-L1635 HydrophobicContact CB-CD1 3.77Å; L1614-L1635 HydrophobicContact CB-CD2 3.95Å; L1614-L1635 HydrophobicContact CB-CG 4.4Å; L1614-L1635 HydrophobicContact CD2-CD2 4.07Å; F1629-L1635 HydrophobicContact CD1-CD2 4.48Å; L1632-L1635 HydrophobicContact CB-CB 3.94Å; L1632-L1635 HydrophobicContact CB-CD2 4.36Å; L1632-L1635 HydrophobicContact CD1-CD2 3.96Å; L1632-L1635 HydrophobicContact CG-CD2 4.34Å; L1632-L1635 WeakPolarHBondContact O-CB 3.28Å; L1632-L1635 PolarHBondContact O-N 3.22Å; L1632-L1635 VanDerWaalsContact O-N 3.16Å; L1635-L1637 WeakPolarHBondContact CD1-O 3.38Å; L1635-L1638 HydrophobicContact CD2-CB 4.41Å; L1635-V1656 HydrophobicContact CB-CG1 3.96Å; L1635-V1656 HydrophobicContact CD2-CG1 4.07Å; L1635-M1658 CarbonylContact C-O 3.17Å; L1635-M1658 CarbonylContact O-C 3.33Å; L1635-I1659 HydrophobicContact CB-CG1 4.5Å; L1635-I1659 HydrophobicContact CD2-CD1 4.3Å; L1635-I1659 HydrophobicContact CD2-CG1 4.38Å; L1635-I1659 HydrophobicContact CG-CG1 4.41Å; L1635-I1659 VanDerWaalsContact O-CA 3.28Å; L1635-I1659 WeakPolarHBondContact O-CA 3.35Å; L1635-I1659 VanDerWaalsContact O-CG1 3.29Å; L1635-I1659 WeakPolarHBondContact O-CG1 3.23Å; L1635-I1659 PolarHBondContact O-N 3.1Å | ||
| 1636 | S | 93.3 | Very high | 93.9 | Very high | 18.6 Ų | 18.6 | 31.9 Ų | 31.9 | 13% | 0.13 | 17% | 0.173 | C | C | . | . | trans | -101.1 | -35.1 | -177.6 | -173 | 0 | 0 | 0 | 0 | 112.9 | G1236 L1612 M1634 M1658 R1660 F1661 | G1236-S1636 VanDerWaalsContact O-CA 3.29Å; G1236-S1636 WeakPolarHBondContact O-CA 2.89Å; L1612-S1636 CarbonylContact O-C 2.97Å; L1612-S1636 WeakPolarHBondContact O-CA 3.29Å; L1612-S1636 WeakPolarHBondContact O-CB 3.47Å; L1612-S1636 PolarHBondContact O-N 3.04Å; M1634-S1636 VanDerWaalsContact C-N 3.27Å; M1634-S1636 PolarHBondContact O-N 3.27Å; M1634-S1636 VanDerWaalsContact O-N 3.14Å; S1636-M1658 VanDerWaalsContact CA-O 3.3Å; S1636-M1658 WeakPolarHBondContact CA-O 3.33Å; S1636-M1658 PolarHBondContact N-O 2.92Å; S1636-M1658 PolarHBondContact OG-O 3.11Å; S1636-R1660 CarbonylContact O-C 3.53Å; S1636-R1660 WeakPolarHBondContact O-CA 2.99Å; S1636-R1660 WeakPolarHBondContact O-CB 3.45Å; S1636-R1660 PolarHBondContact O-N 3.08Å; S1636-R1660 WeakPolarHBondContact OG-CB 3.06Å; S1636-R1660 VanDerWaalsContact OG-CD 3.28Å; S1636-R1660 WeakPolarHBondContact OG-CD 3.3Å; S1636-F1661 WeakPolarHBondContact O-CD2 2.91Å; S1636-F1661 PolarHBondContact O-N 3.07Å; S1636-F1661 WeakPolarHBondContact OG-CE2 2.85Å | ||
| 1637 | L | 94.4 | Very high | 93.9 | Very high | 23.4 Ų | 23.4 | 33.7 Ų | 33.7 | 12% | 0.123 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 127.2 | 177.9 | -175 | 155.3 | 0 | 0 | 0 | 110.9 | L1612 A1613 L1614 H1615 L1635 N1639 F1661 Y1663 A1956 | L1612-L1637 PolarHBondContact O-N 3.05Å; A1613-L1637 WeakPolarHBondContact CA-O 3.3Å; A1613-L1637 HydrophobicContact CB-CB 4.07Å; A1613-L1637 HydrophobicContact CB-CD1 4.12Å; A1613-L1637 HydrophobicContact CB-CD2 4.37Å; A1613-L1637 HydrophobicContact CB-CG 4.29Å; L1614-L1637 PolarHBondContact N-O 2.95Å; L1614-L1637 WeakPolarHBondContact O-CD2 3.39Å; H1615-L1637 WeakPolarHBondContact CE1-CD1 3.29Å; H1615-L1637 WeakPolarHBondContact NE2-CD1 3.25Å; L1635-L1637 WeakPolarHBondContact CD1-O 3.38Å; L1637-N1639 HydrophobicContact CD2-CB 4.08Å; L1637-F1661 HydrophobicContact CB-CB 4.38Å; L1637-F1661 HydrophobicContact CB-CD1 3.93Å; L1637-F1661 HydrophobicContact CB-CD2 3.3Å; L1637-F1661 HydrophobicContact CB-CE1 4.02Å; L1637-F1661 HydrophobicContact CB-CE2 3.46Å; L1637-F1661 VanDerWaalsContact CB-CE2 3.46Å; L1637-F1661 HydrophobicContact CB-CG 3.6Å; L1637-F1661 HydrophobicContact CB-CZ 3.82Å; L1637-F1661 HydrophobicContact CD1-CB 4.39Å; L1637-F1661 HydrophobicContact CD1-CD1 3.51Å; L1637-F1661 HydrophobicContact CD1-CD2 4.3Å; L1637-F1661 HydrophobicContact CD1-CE1 3.16Å; L1637-F1661 HydrophobicContact CD1-CE2 4.06Å; L1637-F1661 HydrophobicContact CD1-CG 4.09Å; L1637-F1661 HydrophobicContact CD1-CZ 3.5Å; L1637-F1661 VanDerWaalsContact CD1-CZ 3.5Å; L1637-F1661 HydrophobicContact CG-CB 4.15Å; L1637-F1661 HydrophobicContact CG-CD1 3.35Å; L1637-F1661 HydrophobicContact CG-CD2 3.72Å; L1637-F1661 HydrophobicContact CG-CE1 3.55Å; L1637-F1661 HydrophobicContact CG-CE2 3.95Å; L1637-F1661 HydrophobicContact CG-CG 3.45Å; L1637-F1661 VanDerWaalsContact CG-CG 3.45Å; L1637-F1661 HydrophobicContact CG-CZ 3.88Å; L1637-Y1663 HydrophobicContact CD1-CE2 4.09Å; L1637-Y1663 HydrophobicContact CG-CE2 4.26Å; L1637-A1956 HydrophobicContact CD1-CB 3.3Å |
| 1638 | L | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 116.2 | 167.9 | 177.8 | 58.1 | 0 | 0 | 0 | 109.8 | L1614 L1616 F1629 L1635 L1640 F1653 I1659 F1661 L1662 Y1663 | L1614-L1638 HydrophobicContact CB-CD1 4.14Å; L1614-L1638 HydrophobicContact CD2-CD1 4.14Å; L1614-L1638 HydrophobicContact CG-CD1 4.2Å; L1614-L1638 WeakPolarHBondContact O-CA 3.43Å; L1616-L1638 HydrophobicContact CD1-CD1 4.4Å; F1629-L1638 HydrophobicContact CD1-CD1 4.35Å; F1629-L1638 HydrophobicContact CD1-CD2 4.23Å; F1629-L1638 HydrophobicContact CD2-CD2 4.08Å; F1629-L1638 HydrophobicContact CE1-CD1 3.72Å; F1629-L1638 VanDerWaalsContact CE1-CD1 3.44Å; F1629-L1638 HydrophobicContact CE1-CD2 3.98Å; F1629-L1638 HydrophobicContact CE1-CG 4.32Å; F1629-L1638 HydrophobicContact CE2-CD1 4.47Å; F1629-L1638 HydrophobicContact CE2-CD2 3.81Å; F1629-L1638 HydrophobicContact CG-CD2 4.27Å; F1629-L1638 HydrophobicContact CZ-CD1 3.9Å; F1629-L1638 HydrophobicContact CZ-CD2 3.77Å; F1629-L1638 HydrophobicContact CZ-CG 4.39Å; L1635-L1638 HydrophobicContact CD2-CB 4.41Å; L1638-L1640 HydrophobicContact CD1-CD1 4.41Å; L1638-L1640 HydrophobicContact CD1-CG 4.25Å; L1638-L1640 HydrophobicContact CD2-CD1 4Å; L1638-L1640 HydrophobicContact CG-CD1 4.08Å; L1638-L1640 HydrophobicContact CG-CG 4.25Å; L1638-F1653 HydrophobicContact CD2-CD1 4.38Å; L1638-F1653 HydrophobicContact CD2-CE1 3.74Å; L1638-I1659 HydrophobicContact CD2-CD1 4Å; L1638-F1661 CarbonylContact C-O 3.51Å; L1638-F1661 WeakPolarHBondContact CA-O 2.96Å; L1638-F1661 WeakPolarHBondContact CB-O 3.21Å; L1638-F1661 PolarHBondContact N-O 2.89Å; L1638-F1661 CarbonylContact O-C 3.03Å; L1638-L1662 HydrophobicContact CB-CD1 4.14Å; L1638-L1662 HydrophobicContact CD2-CD1 4.03Å; L1638-L1662 HydrophobicContact CG-CD1 4.12Å; L1638-L1662 WeakPolarHBondContact O-CA 3.35Å; L1638-Y1663 PolarHBondContact O-N 3.17Å; L1638-Y1663 VanDerWaalsContact O-N 3.09Å |
| 1639 | N | 96 | Very high | 94 | Very high | 12.6 Ų | 12.6 | 34.2 Ų | 34.2 | 7% | 0.067 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 116.2 | 176.9 | -167.8 | -12.4 | 0 | 0 | 0 | 111.2 | L1614 L1616 Q1617 L1637 A1641 Y1663 A1958 | L1614-N1639 PolarHBondContact O-N 3Å; L1614-N1639 VanDerWaalsContact O-N 3.14Å; L1616-N1639 CarbonylContact C-O 3.37Å; L1616-N1639 VanDerWaalsContact C-O 3.29Å; L1616-N1639 WeakPolarHBondContact CA-O 3.39Å; L1616-N1639 WeakPolarHBondContact CB-O 3.4Å; L1616-N1639 PolarHBondContact N-O 2.99Å; Q1617-N1639 PolarHBondContact N-O 3.27Å; Q1617-N1639 VanDerWaalsContact N-O 3.09Å; Q1617-N1639 PolarHBondContact OE1-ND2 2.79Å; L1637-N1639 HydrophobicContact CD2-CB 4.08Å; N1639-A1641 VanDerWaalsContact OD1-CB 3.25Å; N1639-A1641 WeakPolarHBondContact OD1-CB 3.24Å; N1639-A1641 PolarHBondContact OD1-N 3.12Å; N1639-Y1663 HydrophobicContact CB-CD2 4.12Å; N1639-Y1663 HydrophobicContact CB-CE2 3.86Å; N1639-Y1663 HydrophobicContact CB-CG 4.27Å; N1639-Y1663 VanDerWaalsContact CG-CD2 3.5Å; N1639-Y1663 WeakPolarHBondContact OD1-CB 3.08Å; N1639-A1958 PolarHBondContact ND2-O 2.9Å |
| 1640 | L | 97.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -122.6 | 15.3 | 177.8 | -73.4 | 164.7 | 0 | 0 | 0 | 111.7 | L1616 I1621 V1624 F1629 L1638 N1643 I1645 L1662 Y1663 L1664 N1667 | L1616-L1640 HydrophobicContact CB-CD2 3.82Å; L1616-L1640 HydrophobicContact CD1-CD2 4Å; I1621-L1640 HydrophobicContact CD1-CD2 3.96Å; V1624-L1640 HydrophobicContact CG2-CD1 4.3Å; F1629-L1640 HydrophobicContact CE2-CD1 4.24Å; F1629-L1640 HydrophobicContact CZ-CD1 4.14Å; F1629-L1640 HydrophobicContact CZ-CD2 4.43Å; L1638-L1640 HydrophobicContact CD1-CD1 4.41Å; L1638-L1640 HydrophobicContact CD1-CG 4.25Å; L1638-L1640 HydrophobicContact CD2-CD1 4Å; L1638-L1640 HydrophobicContact CG-CD1 4.08Å; L1638-L1640 HydrophobicContact CG-CG 4.25Å; L1640-N1643 PolarHBondContact O-ND2 2.96Å; L1640-N1643 VanDerWaalsContact O-ND2 3.12Å; L1640-I1645 HydrophobicContact CB-CD1 3.93Å; L1640-I1645 HydrophobicContact CD1-CD1 4.38Å; L1640-I1645 HydrophobicContact CD2-CD1 4.33Å; L1640-I1645 HydrophobicContact CG-CD1 4.46Å; L1640-L1662 HydrophobicContact CD1-CD1 4.46Å; L1640-Y1663 CarbonylContact C-O 3.49Å; L1640-Y1663 WeakPolarHBondContact CA-O 3.3Å; L1640-Y1663 WeakPolarHBondContact CB-O 3.44Å; L1640-Y1663 PolarHBondContact N-O 3.02Å; L1640-Y1663 VanDerWaalsContact N-O 3.15Å; L1640-L1664 HydrophobicContact CB-CD2 3.83Å; L1640-L1664 HydrophobicContact CD1-CD2 4.05Å; L1640-N1667 PolarHBondContact O-ND2 3.12Å; L1640-N1667 VanDerWaalsContact O-ND2 3.11Å | ||
| 1641 | A | 95.6 | Very high | 93.5 | Very high | 6 Ų | 6 | 43.5 Ų | 43.5 | 5% | 0.05 | 22% | 0.218 | C | C | . | . | trans | -59.5 | 155.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q1617 R1618 N1639 N1643 Y1663 S1665 I1939 V1959 | Q1617-A1641 CarbonylContact C-O 3.41Å; Q1617-A1641 WeakPolarHBondContact CA-O 3.28Å; Q1617-A1641 HydrophobicContact CB-CB 4.21Å; Q1617-A1641 VanDerWaalsContact CB-O 3.28Å; Q1617-A1641 WeakPolarHBondContact CB-O 3.27Å; R1618-A1641 PolarHBondContact N-O 3.01Å; N1639-A1641 VanDerWaalsContact OD1-CB 3.25Å; N1639-A1641 WeakPolarHBondContact OD1-CB 3.24Å; N1639-A1641 PolarHBondContact OD1-N 3.12Å; A1641-N1643 VanDerWaalsContact C-N 3.32Å; A1641-N1643 PolarHBondContact O-N 3.03Å; A1641-N1643 PolarHBondContact O-ND2 3.17Å; A1641-N1643 VanDerWaalsContact O-ND2 3.11Å; A1641-Y1663 PolarHBondContact N-O 2.98Å; A1641-S1665 CarbonylContact C-O 3.45Å; A1641-S1665 VanDerWaalsContact CA-O 3.29Å; A1641-S1665 WeakPolarHBondContact CA-O 3.34Å; A1641-S1665 VanDerWaalsContact CB-OG 3.29Å; A1641-S1665 WeakPolarHBondContact CB-OG 3.42Å; A1641-I1939 HydrophobicContact CB-CD1 4.2Å; A1641-V1959 HydrophobicContact CB-CG2 4.45Å | ||
| 1642 | N | 96.6 | Very high | 93.7 | Very high | 61.6 Ų | 61.6 | 40.4 Ų | 40.4 | 33% | 0.329 | 20% | 0.201 | S | C | . | . | S | Bend | trans | 54.7 | 45.1 | 175.4 | -140.9 | 120.2 | 0 | 0 | 0 | 112.5 | R1618 S1665 D1666 | R1618-N1642 VanDerWaalsContact CA-O 3.27Å; R1618-N1642 WeakPolarHBondContact CA-O 3.36Å; R1618-N1642 HydrophobicContact CB-CB 4.32Å; R1618-N1642 HydrophobicContact CG-CB 3.63Å; R1618-N1642 VanDerWaalsContact CG-CB 3.42Å; R1618-N1642 WeakPolarHBondContact CG-ND2 3.39Å; R1618-N1642 WeakPolarHBondContact CG-OD1 3.27Å; R1618-N1642 PolarHBondContact N-O 3Å; R1618-N1642 PolarHBondContact NE-ND2 3.47Å; R1618-N1642 VanDerWaalsContact NE-ND2 3.11Å; R1618-N1642 PolarHBondContact NE-OD1 3.03Å; N1642-S1665 PolarHBondContact N-O 3.23Å; N1642-D1666 CarbonylContact C-O 3.52Å; N1642-D1666 WeakPolarHBondContact CA-O 3.42Å; N1642-D1666 HydrophobicContact CB-CB 4.15Å; N1642-D1666 PolarHBondContact N-O 3.16Å; N1642-D1666 WeakPolarHBondContact ND2-CB 3.49Å; N1642-D1666 PolarHBondContact ND2-OD2 2.8Å; N1642-D1666 WeakPolarHBondContact OD1-CB 3.14Å |
| 1643 | N | 96.9 | Very high | 93.5 | Very high | 11.2 Ų | 11.2 | 40.5 Ų | 40.5 | 6% | 0.06 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -113.7 | -164.5 | 174.8 | -88.4 | -91.7 | 0 | 0 | 0 | 109.3 | L1616 R1618 N1619 I1621 L1640 A1641 I1645 D1666 N1667 | L1616-N1643 PolarHBondContact O-ND2 3.09Å; R1618-N1643 PolarHBondContact N-ND2 3.13Å; N1619-N1643 WeakPolarHBondContact CA-OD1 3.33Å; N1619-N1643 VanDerWaalsContact CB-OD1 3.24Å; N1619-N1643 WeakPolarHBondContact CB-OD1 3.41Å; N1619-N1643 PolarHBondContact N-OD1 3.12Å; N1619-N1643 PolarHBondContact O-OD1 3.12Å; N1619-N1643 VanDerWaalsContact O-OD1 3.06Å; I1621-N1643 HydrophobicContact CB-CB 4.4Å; I1621-N1643 VanDerWaalsContact CB-OD1 3.28Å; I1621-N1643 WeakPolarHBondContact CB-OD1 3.19Å; I1621-N1643 WeakPolarHBondContact CG1-OD1 3.3Å; I1621-N1643 PolarHBondContact N-OD1 3.06Å; I1621-N1643 VanDerWaalsContact N-OD1 3.11Å; L1640-N1643 PolarHBondContact O-ND2 2.96Å; L1640-N1643 VanDerWaalsContact O-ND2 3.12Å; A1641-N1643 VanDerWaalsContact C-N 3.32Å; A1641-N1643 PolarHBondContact O-N 3.03Å; A1641-N1643 PolarHBondContact O-ND2 3.17Å; A1641-N1643 VanDerWaalsContact O-ND2 3.11Å; N1643-I1645 HydrophobicContact CB-CD1 4.16Å; N1643-I1645 HydrophobicContact CB-CG1 4.02Å; N1643-D1666 PolarHBondContact N-O 3.06Å; N1643-N1667 WeakPolarHBondContact CA-OD1 3.35Å; N1643-N1667 VanDerWaalsContact CB-OD1 3.25Å; N1643-N1667 WeakPolarHBondContact CB-OD1 3.22Å; N1643-N1667 PolarHBondContact N-ND2 3.43Å; N1643-N1667 PolarHBondContact N-OD1 3.42Å; N1643-N1667 PolarHBondContact O-OD1 3.07Å |
| 1644 | Q | 96.4 | Very high | 93.3 | Very high | 84.4 Ų | 84.4 | 40.8 Ų | 40.8 | 39% | 0.394 | 20% | 0.202 | S | C | . | . | trans | -113.7 | 25.4 | -179.9 | -57.6 | -177.7 | 23.3 | 0 | 0 | 111.7 | N1620 I1621 T1622 E1646 N1667 | N1620-Q1644 PolarHBondContact OD1-NE2 3.08Å; N1620-Q1644 VanDerWaalsContact OD1-NE2 3.16Å; I1621-Q1644 CarbonylContact O-C 3.36Å; I1621-Q1644 VanDerWaalsContact O-C 3.24Å; I1621-Q1644 WeakPolarHBondContact O-CA 3.37Å; I1621-Q1644 PolarHBondContact O-N 3.1Å; T1622-Q1644 WeakPolarHBondContact CA-O 3.17Å; T1622-Q1644 HydrophobicContact CG2-CB 4.1Å; Q1644-E1646 PolarHBondContact O-N 3.05Å; Q1644-E1646 VanDerWaalsContact O-N 3.09Å; Q1644-N1667 PolarHBondContact N-OD1 3.09Å | ||
| 1645 | I | 96.3 | Very high | 93 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | trans | -68.5 | 109.1 | -167.3 | -59.9 | 168.3 | 0 | 0 | 0 | 110.5 | I1621 T1622 V1624 L1640 N1643 T1647 I1648 L1664 N1667 N1668 Y1669 | I1621-I1645 HydrophobicContact CB-CG1 4.44Å; I1621-I1645 HydrophobicContact CG2-CD1 4.46Å; I1621-I1645 HydrophobicContact CG2-CG1 4.15Å; I1621-I1645 VanDerWaalsContact O-CG1 3.29Å; I1621-I1645 WeakPolarHBondContact O-CG1 3.42Å; I1621-I1645 PolarHBondContact O-N 3.13Å; I1621-I1645 VanDerWaalsContact O-N 3.14Å; T1622-I1645 WeakPolarHBondContact O-CA 3.41Å; V1624-I1645 HydrophobicContact CG2-CD1 3.96Å; V1624-I1645 HydrophobicContact CG2-CG1 4.42Å; V1624-I1645 HydrophobicContact CG2-CG2 4.14Å; L1640-I1645 HydrophobicContact CB-CD1 3.93Å; L1640-I1645 HydrophobicContact CD1-CD1 4.38Å; L1640-I1645 HydrophobicContact CD2-CD1 4.33Å; L1640-I1645 HydrophobicContact CG-CD1 4.46Å; N1643-I1645 HydrophobicContact CB-CD1 4.16Å; N1643-I1645 HydrophobicContact CB-CG1 4.02Å; I1645-T1647 WeakPolarHBondContact CG2-O 3.26Å; I1645-I1648 HydrophobicContact CG2-CD1 4.38Å; I1645-I1648 HydrophobicContact CG2-CG1 3.83Å; I1645-L1664 HydrophobicContact CD1-CD2 4.01Å; I1645-N1667 HydrophobicContact CB-CB 4.39Å; I1645-N1667 VanDerWaalsContact CB-OD1 3.22Å; I1645-N1667 WeakPolarHBondContact CB-OD1 3.39Å; I1645-N1667 VanDerWaalsContact CG1-OD1 3.29Å; I1645-N1667 WeakPolarHBondContact CG1-OD1 3.3Å; I1645-N1667 PolarHBondContact N-OD1 3.11Å; I1645-N1668 CarbonylContact O-C 3.26Å; I1645-N1668 VanDerWaalsContact O-C 3.25Å; I1645-N1668 WeakPolarHBondContact O-CA 3.33Å; I1645-N1668 PolarHBondContact O-N 3.17Å; I1645-Y1669 WeakPolarHBondContact O-CA 3.28Å; I1645-Y1669 PolarHBondContact O-N 2.8Å; I1645-Y1669 VanDerWaalsContact O-N 3.09Å | ||
| 1646 | E | 94.3 | Very high | 92.7 | Very high | 111 Ų | 111 | 42.3 Ų | 42.3 | 52% | 0.519 | 21% | 0.211 | S | C | . | . | trans | -86.7 | -33 | 174.1 | -68.1 | 179.4 | -175.7 | 0 | 0 | 112.2 | T1622 Q1644 N1668 Y1669 | T1622-E1646 PolarHBondContact O-N 3.07Å; Q1644-E1646 PolarHBondContact O-N 3.05Å; Q1644-E1646 VanDerWaalsContact O-N 3.09Å; E1646-N1668 HydrophobicContact CG-CB 3.81Å; E1646-Y1669 WeakPolarHBondContact O-CD2 3.36Å | ||
| 1647 | T | 92.7 | Very high | 92.4 | Very high | 81 Ų | 81 | 44.1 Ų | 44.1 | 50% | 0.497 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 150 | -172.8 | 57.6 | 0 | 0 | 0 | 0 | 113.1 | A1623 V1624 I1645 | A1623-T1647 WeakPolarHBondContact CA-O 3.24Å; A1623-T1647 WeakPolarHBondContact CB-OG1 3.27Å; V1624-T1647 PolarHBondContact N-O 3.12Å; I1645-T1647 WeakPolarHBondContact CG2-O 3.26Å |
| 1648 | I | 93.7 | Very high | 92.2 | Very high | 14.4 Ų | 14.4 | 46.8 Ų | 46.8 | 7% | 0.074 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 122.3 | 177.1 | -60.4 | 176 | 0 | 0 | 0 | 107.7 | V1624 I1645 F1653 L1664 Y1669 T1676 F1677 | V1624-I1648 HydrophobicContact CB-CB 4.43Å; V1624-I1648 HydrophobicContact CB-CG1 4.19Å; V1624-I1648 HydrophobicContact CB-CG2 4.23Å; V1624-I1648 HydrophobicContact CG2-CG1 4.08Å; I1645-I1648 HydrophobicContact CG2-CD1 4.38Å; I1645-I1648 HydrophobicContact CG2-CG1 3.83Å; I1648-F1653 HydrophobicContact CG2-CE2 4.01Å; I1648-F1653 HydrophobicContact CG2-CZ 4.33Å; I1648-L1664 HydrophobicContact CD1-CD1 3.53Å; I1648-L1664 HydrophobicContact CD1-CD2 3.89Å; I1648-L1664 HydrophobicContact CD1-CG 4.37Å; I1648-Y1669 HydrophobicContact CB-CE2 4.29Å; I1648-Y1669 HydrophobicContact CD1-CD2 4.49Å; I1648-Y1669 HydrophobicContact CD1-CE2 4.26Å; I1648-Y1669 HydrophobicContact CG1-CD2 4.41Å; I1648-Y1669 HydrophobicContact CG1-CE2 4.1Å; I1648-T1676 HydrophobicContact CG2-CG2 4.41Å; I1648-F1677 HydrophobicContact CD1-CE1 4.25Å; I1648-F1677 HydrophobicContact CD1-CZ 4.16Å; I1648-F1677 HydrophobicContact CG2-CE1 4.47Å |
| 1649 | H | 91.4 | Very high | 92.1 | Very high | 87.6 Ų | 87.6 | 46.9 Ų | 46.9 | 41% | 0.406 | 24% | 0.236 | S | C | . | . | trans | -77.9 | 139.3 | 179.9 | -171 | -103.1 | 0 | 0 | 0 | 111.4 | V1624 A1626 Q1651 S1652 | V1624-H1649 PolarHBondContact O-N 3.02Å; A1626-H1649 VanDerWaalsContact CB-ND1 3.32Å; A1626-H1649 WeakPolarHBondContact CB-ND1 3.43Å; H1649-Q1651 PolarHBondContact ND1-N 2.96Å; H1649-Q1651 PolarHBondContact O-N 3.1Å; H1649-S1652 PolarHBondContact N-OG 3.17Å; H1649-S1652 VanDerWaalsContact O-CB 3.26Å; H1649-S1652 WeakPolarHBondContact O-CB 3.37Å; H1649-S1652 PolarHBondContact O-N 3.21Å; H1649-S1652 PolarHBondContact O-OG 3.16Å | ||
| 1650 | R | 84 | Confident | 91.9 | Very high | 113.2 Ų | 113.2 | 48.9 Ų | 48.9 | 43% | 0.427 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -20.1 | -178 | -53.2 | -170.8 | -171.4 | -163.8 | 3.5 | 114.6 | E1673 S1674 | R1650-E1673 IonicContact CZ-OE2 2.78Å; R1650-E1673 IonicContact NE-OE2 3.16Å; R1650-E1673 PolarHBondContact NE-OE2 3.03Å; R1650-E1673 IonicContact NH2-OE2 3.23Å; R1650-E1673 PolarHBondContact NH2-OE2 3.03Å; R1650-S1674 VanDerWaalsContact CZ-O 3.29Å; R1650-S1674 PolarHBondContact NH1-O 2.93Å; R1650-S1674 VanDerWaalsContact NH1-O 3.11Å; R1650-S1674 PolarHBondContact NH2-O 2.88Å |
| 1651 | Q | 89.4 | Confident | 91.6 | Very high | 112 Ų | 112 | 51 Ų | 51 | 52% | 0.523 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 20.7 | 175.2 | -58.2 | 179.2 | -31.6 | 0 | 0 | 113.6 | A1626 L1627 H1649 F1653 V1654 | A1626-Q1651 HydrophobicContact CB-CB 4.42Å; L1627-Q1651 HydrophobicContact CD2-CB 4.46Å; L1627-Q1651 PolarHBondContact N-O 3.12Å; H1649-Q1651 PolarHBondContact ND1-N 2.96Å; H1649-Q1651 PolarHBondContact O-N 3.1Å; Q1651-F1653 VanDerWaalsContact C-N 3.32Å; Q1651-F1653 PolarHBondContact O-N 3.34Å; Q1651-V1654 HydrophobicContact CB-CG2 4.1Å; Q1651-V1654 WeakPolarHBondContact O-CG2 3.28Å |
| 1652 | S | 91.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -33.7 | 178.4 | -63.5 | 0 | 0 | 0 | 0 | 113 | V1624 K1625 F1629 H1649 | V1624-S1652 WeakPolarHBondContact CG1-OG 3.32Å; V1624-S1652 PolarHBondContact O-OG 2.97Å; V1624-S1652 VanDerWaalsContact O-OG 3.07Å; K1625-S1652 WeakPolarHBondContact O-CB 3.34Å; K1625-S1652 PolarHBondContact O-OG 2.96Å; F1629-S1652 CarbonylContact C-O 3.43Å; F1629-S1652 WeakPolarHBondContact CA-O 3.23Å; F1629-S1652 WeakPolarHBondContact CB-O 3.38Å; F1629-S1652 PolarHBondContact N-O 3.01Å; H1649-S1652 PolarHBondContact N-OG 3.17Å; H1649-S1652 VanDerWaalsContact O-CB 3.26Å; H1649-S1652 WeakPolarHBondContact O-CB 3.37Å; H1649-S1652 PolarHBondContact O-N 3.21Å; H1649-S1652 PolarHBondContact O-OG 3.16Å |
| 1653 | F | 89.2 | Confident | 91.6 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 1% | 0.013 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 61.8 | -174.3 | -48.4 | -68.9 | 0 | 0 | 0 | 112.1 | F1629 L1638 I1648 Q1651 N1655 V1656 I1659 L1662 F1677 T1679 L1680 | F1629-F1653 HydrophobicContact CB-CD1 3.97Å; F1629-F1653 HydrophobicContact CB-CE1 4.43Å; F1629-F1653 AromaticContact CD2-CD1 3.85Å; F1629-F1653 HydrophobicContact CD2-CD1 3.85Å; F1629-F1653 AromaticContact CD2-CE1 3.62Å; F1629-F1653 HydrophobicContact CD2-CE1 3.62Å; F1629-F1653 VanDerWaalsContact CD2-CE1 3.47Å; F1629-F1653 HydrophobicContact CD2-CZ 4.43Å; F1629-F1653 AromaticContact CE2-CE1 3.99Å; F1629-F1653 HydrophobicContact CE2-CE1 4Å; F1629-F1653 HydrophobicContact CG-CD1 4.18Å; F1629-F1653 HydrophobicContact CG-CE1 4.23Å; L1638-F1653 HydrophobicContact CD2-CD1 4.38Å; L1638-F1653 HydrophobicContact CD2-CE1 3.74Å; I1648-F1653 HydrophobicContact CG2-CE2 4.01Å; I1648-F1653 HydrophobicContact CG2-CZ 4.33Å; Q1651-F1653 VanDerWaalsContact C-N 3.32Å; Q1651-F1653 PolarHBondContact O-N 3.34Å; F1653-N1655 PolarHBondContact O-N 2.96Å; F1653-V1656 HydrophobicContact CB-CG2 4.23Å; F1653-V1656 PolarHBondContact O-N 2.99Å; F1653-I1659 HydrophobicContact CB-CD1 4.31Å; F1653-I1659 HydrophobicContact CD1-CD1 4.15Å; F1653-I1659 HydrophobicContact CE1-CD1 4.3Å; F1653-I1659 HydrophobicContact CG-CD1 4.21Å; F1653-L1662 HydrophobicContact CE1-CD1 4.4Å; F1653-L1662 HydrophobicContact CE2-CD2 4.36Å; F1653-L1662 HydrophobicContact CZ-CD1 4.2Å; F1653-L1662 HydrophobicContact CZ-CD2 4.22Å; F1653-F1677 AromaticContact CE2-CD1 3.97Å; F1653-F1677 HydrophobicContact CE2-CD1 4.13Å; F1653-F1677 HydrophobicContact CE2-CE1 4.18Å; F1653-T1679 PolarHBondContact O-OG1 3.15Å; F1653-L1680 HydrophobicContact CB-CD1 4.41Å; F1653-L1680 HydrophobicContact CB-CD2 3.74Å; F1653-L1680 HydrophobicContact CB-CG 4.33Å; F1653-L1680 HydrophobicContact CD1-CD2 4.49Å; F1653-L1680 HydrophobicContact CD2-CD1 4.13Å; F1653-L1680 HydrophobicContact CD2-CD2 4.37Å; F1653-L1680 HydrophobicContact CD2-CG 4.43Å; F1653-L1680 HydrophobicContact CE2-CD1 4.4Å; F1653-L1680 HydrophobicContact CG-CD1 4.32Å; F1653-L1680 HydrophobicContact CG-CD2 4.07Å; F1653-L1680 HydrophobicContact CG-CG 4.48Å |
| 1654 | V | 87 | Confident | 91.5 | Very high | 53.2 Ų | 53.2 | 49.5 Ų | 49.5 | 32% | 0.322 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 123.8 | -179.3 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | L1627 F1629 I1630 N1631 Q1651 V1656 | L1627-V1654 HydrophobicContact CD2-CB 3.94Å; L1627-V1654 HydrophobicContact CD2-CG1 4.29Å; L1627-V1654 HydrophobicContact CD2-CG2 3.69Å; F1629-V1654 PolarHBondContact O-N 3.03Å; F1629-V1654 VanDerWaalsContact O-N 3.1Å; I1630-V1654 WeakPolarHBondContact CA-O 3.37Å; I1630-V1654 HydrophobicContact CD1-CG1 4.48Å; I1630-V1654 HydrophobicContact CG1-CB 4.4Å; I1630-V1654 HydrophobicContact CG1-CG1 4.37Å; N1631-V1654 PolarHBondContact N-O 3.04Å; N1631-V1654 VanDerWaalsContact N-O 3.11Å; Q1651-V1654 HydrophobicContact CB-CG2 4.1Å; Q1651-V1654 WeakPolarHBondContact O-CG2 3.28Å; V1654-V1656 VanDerWaalsContact C-N 3.26Å; V1654-V1656 PolarHBondContact O-N 3.3Å |
| 1655 | N | 85.1 | Confident | 91.5 | Very high | 88.4 Ų | 88.4 | 45.8 Ų | 45.8 | 47% | 0.473 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 53.8 | -175.1 | -168.3 | 28.8 | 0 | 0 | 0 | 112.9 | N1631 L1632 F1653 P1657 | N1631-N1655 WeakPolarHBondContact CA-O 3.4Å; N1631-N1655 PolarHBondContact N-O 3.24Å; N1631-N1655 WeakPolarHBondContact OD1-CB 3.32Å; N1631-N1655 PolarHBondContact OD1-ND2 2.93Å; L1632-N1655 PolarHBondContact N-O 2.93Å; L1632-N1655 VanDerWaalsContact N-O 3.15Å; F1653-N1655 PolarHBondContact O-N 2.96Å; N1655-P1657 VanDerWaalsContact C-CD 3.49Å |
| 1656 | V | 90.2 | Very high | 91.5 | Very high | 4.8 Ų | 4.8 | 47.7 Ų | 47.7 | 3% | 0.029 | 23% | 0.234 | C | C | . | . | trans | -129.9 | 59 | 170.7 | -139.7 | 0 | 0 | 0 | 0 | 110 | F1629 L1632 L1635 F1653 V1654 M1658 I1659 L1680 | F1629-V1656 HydrophobicContact CB-CG1 4.46Å; F1629-V1656 HydrophobicContact CB-CG2 4.28Å; F1629-V1656 WeakPolarHBondContact O-CG1 3.49Å; F1629-V1656 VanDerWaalsContact O-CG2 3.27Å; F1629-V1656 WeakPolarHBondContact O-CG2 3.24Å; L1632-V1656 HydrophobicContact CB-CG1 3.95Å; L1632-V1656 HydrophobicContact CB-CG2 4.34Å; L1632-V1656 VanDerWaalsContact O-CG1 3.32Å; L1632-V1656 WeakPolarHBondContact O-CG1 3.31Å; L1635-V1656 HydrophobicContact CB-CG1 3.96Å; L1635-V1656 HydrophobicContact CD2-CG1 4.07Å; F1653-V1656 HydrophobicContact CB-CG2 4.23Å; F1653-V1656 PolarHBondContact O-N 2.99Å; V1654-V1656 VanDerWaalsContact C-N 3.26Å; V1654-V1656 PolarHBondContact O-N 3.3Å; V1656-M1658 PolarHBondContact O-N 3.09Å; V1656-M1658 VanDerWaalsContact O-N 3.13Å; V1656-I1659 HydrophobicContact CB-CD1 4.02Å; V1656-I1659 HydrophobicContact CB-CG1 4.07Å; V1656-I1659 HydrophobicContact CG1-CD1 3.64Å; V1656-I1659 HydrophobicContact CG1-CG1 3.61Å; V1656-I1659 VanDerWaalsContact CG1-CG1 3.41Å; V1656-I1659 HydrophobicContact CG2-CD1 3.99Å; V1656-I1659 HydrophobicContact CG2-CG1 4.23Å; V1656-I1659 PolarHBondContact O-N 3.15Å; V1656-L1680 HydrophobicContact CG2-CD2 3.98Å | ||
| 1657 | P | 87.1 | Confident | 91.5 | Very high | 57.8 Ų | 57.8 | 42.7 Ų | 42.7 | 38% | 0.375 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | 1.1 | -166.1 | 32.7 | -37.4 | 0 | 0 | 0 | 114.6 | E1237 N1655 S1682 | E1237-P1657 VanDerWaalsContact OE1-C 3.26Å; N1655-P1657 VanDerWaalsContact C-CD 3.49Å; P1657-S1682 VanDerWaalsContact O-CB 3.27Å; P1657-S1682 WeakPolarHBondContact O-CB 3.37Å; P1657-S1682 PolarHBondContact O-OG 3.06Å |
| 1658 | M | 89.8 | Confident | 91.7 | Very high | 80 Ų | 80 | 41.6 Ų | 41.6 | 39% | 0.394 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | 6.1 | -169.4 | -68 | -59.5 | 171.3 | 0 | 0 | 113.5 | T1233 L1234 G1236 E1237 P1633 L1635 S1636 V1656 R1660 | T1233-M1658 WeakPolarHBondContact O-CG 3.26Å; L1234-M1658 WeakPolarHBondContact CA-SD 3.36Å; L1234-M1658 HydrophobicContact CB-CE 4.45Å; L1234-M1658 HydrophobicContact CD1-CE 3.57Å; L1234-M1658 HydrophobicContact CG-CE 3.92Å; G1236-M1658 VanDerWaalsContact C-C 3.48Å; G1236-M1658 CarbonylContact C-O 3.6Å; G1236-M1658 VanDerWaalsContact C-O 3.22Å; G1236-M1658 VanDerWaalsContact CA-O 3.31Å; G1236-M1658 WeakPolarHBondContact CA-O 3.15Å; G1236-M1658 CarbonylContact O-C 3.22Å; G1236-M1658 VanDerWaalsContact O-C 3.31Å; E1237-M1658 HydrophobicContact CB-SD 3.92Å; P1633-M1658 WeakPolarHBondContact O-CB 3.24Å; P1633-M1658 WeakPolarHBondContact O-CG 3.16Å; L1635-M1658 CarbonylContact C-O 3.17Å; L1635-M1658 CarbonylContact O-C 3.33Å; S1636-M1658 VanDerWaalsContact CA-O 3.3Å; S1636-M1658 WeakPolarHBondContact CA-O 3.33Å; S1636-M1658 PolarHBondContact N-O 2.92Å; S1636-M1658 PolarHBondContact OG-O 3.11Å; V1656-M1658 PolarHBondContact O-N 3.09Å; V1656-M1658 VanDerWaalsContact O-N 3.13Å; M1658-R1660 WeakPolarHBondContact O-CG 3.34Å; M1658-R1660 PolarHBondContact O-N 2.87Å |
| 1659 | I | 93.1 | Very high | 91.7 | Very high | 0.8 Ų | 0.8 | 41.3 Ų | 41.3 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | trans | -66.8 | 124.9 | 175.1 | -65.8 | 177.1 | 0 | 0 | 0 | 109 | G1236 E1237 L1635 L1638 F1653 V1656 L1662 L1680 S1682 L1683 | G1236-I1659 CarbonylContact O-C 3.29Å; G1236-I1659 VanDerWaalsContact O-C 3.27Å; E1237-I1659 WeakPolarHBondContact CG-O 3.35Å; L1635-I1659 HydrophobicContact CB-CG1 4.5Å; L1635-I1659 HydrophobicContact CD2-CD1 4.3Å; L1635-I1659 HydrophobicContact CD2-CG1 4.38Å; L1635-I1659 HydrophobicContact CG-CG1 4.41Å; L1635-I1659 VanDerWaalsContact O-CA 3.28Å; L1635-I1659 WeakPolarHBondContact O-CA 3.35Å; L1635-I1659 VanDerWaalsContact O-CG1 3.29Å; L1635-I1659 WeakPolarHBondContact O-CG1 3.23Å; L1635-I1659 PolarHBondContact O-N 3.1Å; L1638-I1659 HydrophobicContact CD2-CD1 4Å; F1653-I1659 HydrophobicContact CB-CD1 4.31Å; F1653-I1659 HydrophobicContact CD1-CD1 4.15Å; F1653-I1659 HydrophobicContact CE1-CD1 4.3Å; F1653-I1659 HydrophobicContact CG-CD1 4.21Å; V1656-I1659 HydrophobicContact CB-CD1 4.02Å; V1656-I1659 HydrophobicContact CB-CG1 4.07Å; V1656-I1659 HydrophobicContact CG1-CD1 3.64Å; V1656-I1659 HydrophobicContact CG1-CG1 3.61Å; V1656-I1659 VanDerWaalsContact CG1-CG1 3.41Å; V1656-I1659 HydrophobicContact CG2-CD1 3.99Å; V1656-I1659 HydrophobicContact CG2-CG1 4.23Å; V1656-I1659 PolarHBondContact O-N 3.15Å; I1659-L1662 HydrophobicContact CG2-CB 4.43Å; I1659-L1680 HydrophobicContact CB-CD2 4.25Å; I1659-L1680 HydrophobicContact CD1-CD2 4.05Å; I1659-L1680 HydrophobicContact CG1-CD2 4.46Å; I1659-S1682 CarbonylContact O-C 3.45Å; I1659-L1683 HydrophobicContact CB-CD1 4.33Å; I1659-L1683 HydrophobicContact CG2-CD1 3.7Å; I1659-L1683 VanDerWaalsContact O-CA 3.3Å; I1659-L1683 WeakPolarHBondContact O-CA 3.21Å; I1659-L1683 VanDerWaalsContact O-CD1 3.28Å; I1659-L1683 WeakPolarHBondContact O-CD1 3.38Å; I1659-L1683 PolarHBondContact O-N 3.01Å; I1659-L1683 VanDerWaalsContact O-N 3.09Å | ||
| 1660 | R | 92.3 | Very high | 91.6 | Very high | 56.4 Ų | 56.4 | 40.3 Ų | 40.3 | 21% | 0.213 | 20% | 0.2 | C | C | . | . | trans | -110.7 | -44.1 | 174.5 | -74 | 165.9 | 95.9 | -151.1 | -5.2 | 110.6 | F1235 G1236 E1237 L1238 V1239 S1240 K1241 S1636 M1658 L1662 S1682 L1683 E1684 L1685 A1956 | F1235-R1660 VanDerWaalsContact C-CZ 3.42Å; F1235-R1660 VanDerWaalsContact CG-NH1 3.33Å; F1235-R1660 WeakPolarHBondContact O-CD 3.26Å; F1235-R1660 PolarHBondContact O-NE 3.33Å; F1235-R1660 VanDerWaalsContact O-NE 3.13Å; F1235-R1660 PolarHBondContact O-NH1 3.35Å; F1235-R1660 PolarHBondContact O-NH2 2.95Å; G1236-R1660 VanDerWaalsContact C-CD 3.48Å; G1236-R1660 WeakPolarHBondContact O-CA 3.25Å; G1236-R1660 WeakPolarHBondContact O-CB 3.29Å; G1236-R1660 WeakPolarHBondContact O-CD 3.22Å; G1236-R1660 WeakPolarHBondContact O-CG 3.41Å; G1236-R1660 PolarHBondContact O-N 2.69Å; E1237-R1660 VanDerWaalsContact C-CG 3.47Å; L1238-R1660 VanDerWaalsContact N-NE 3.11Å; L1238-R1660 WeakPolarHBondContact O-CG 3.16Å; V1239-R1660 VanDerWaalsContact CG2-CZ 3.47Å; S1240-R1660 VanDerWaalsContact N-CG 3.28Å; K1241-R1660 VanDerWaalsContact CB-C 3.43Å; K1241-R1660 HydrophobicContact CB-CB 4.42Å; K1241-R1660 VanDerWaalsContact CB-O 3.24Å; K1241-R1660 WeakPolarHBondContact CB-O 2.97Å; K1241-R1660 WeakPolarHBondContact CD-O 3.01Å; K1241-R1660 WeakPolarHBondContact CG-O 3.2Å; S1636-R1660 CarbonylContact O-C 3.53Å; S1636-R1660 WeakPolarHBondContact O-CA 2.99Å; S1636-R1660 WeakPolarHBondContact O-CB 3.45Å; S1636-R1660 PolarHBondContact O-N 3.08Å; S1636-R1660 WeakPolarHBondContact OG-CB 3.06Å; S1636-R1660 VanDerWaalsContact OG-CD 3.28Å; S1636-R1660 WeakPolarHBondContact OG-CD 3.3Å; M1658-R1660 WeakPolarHBondContact O-CG 3.34Å; M1658-R1660 PolarHBondContact O-N 2.87Å; R1660-L1662 PolarHBondContact O-N 3.15Å; R1660-L1662 VanDerWaalsContact O-N 3.14Å; R1660-S1682 WeakPolarHBondContact CG-O 3.42Å; R1660-L1683 WeakPolarHBondContact O-CD1 2.97Å; R1660-E1684 HydrophobicContact CB-CB 4.37Å; R1660-E1684 HydrophobicContact CB-CG 4.49Å; R1660-E1684 HydrophobicContact CG-CG 4.44Å; R1660-E1684 IonicContact CZ-OE1 3.34Å; R1660-E1684 VanDerWaalsContact CZ-OE1 3.24Å; R1660-E1684 IonicContact CZ-OE2 2.84Å; R1660-E1684 VanDerWaalsContact NE-CD 3.3Å; R1660-E1684 IonicContact NE-OE1 2.94Å; R1660-E1684 PolarHBondContact NE-OE1 2.98Å; R1660-E1684 IonicContact NE-OE2 3.19Å; R1660-E1684 PolarHBondContact NE-OE2 3.03Å; R1660-E1684 VanDerWaalsContact NH2-CD 3.34Å; R1660-E1684 IonicContact NH2-OE1 3.47Å; R1660-E1684 PolarHBondContact NH2-OE1 3.32Å; R1660-E1684 IonicContact NH2-OE2 3.32Å; R1660-E1684 PolarHBondContact NH2-OE2 3.23Å; R1660-E1684 WeakPolarHBondContact O-CA 3.37Å; R1660-E1684 PolarHBondContact O-N 2.89Å; R1660-L1685 PolarHBondContact O-N 2.91Å; R1660-A1956 VanDerWaalsContact NH2-CB 3.28Å | ||
| 1661 | F | 92 | Very high | 91.8 | Very high | 43 Ų | 43 | 38.4 Ų | 38.4 | 19% | 0.189 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 121.3 | -176.7 | -49 | -94.7 | 0 | 0 | 0 | 110.1 | S1240 L1243 S1636 L1637 L1638 Y1663 L1685 | S1240-F1661 VanDerWaalsContact O-CD1 3.23Å; S1240-F1661 WeakPolarHBondContact O-CD1 3.3Å; S1240-F1661 VanDerWaalsContact O-CG 3.3Å; S1240-F1661 WeakPolarHBondContact O-CG 2.99Å; S1240-F1661 VanDerWaalsContact OG-CE2 3.31Å; S1240-F1661 WeakPolarHBondContact OG-CE2 3.45Å; S1240-F1661 VanDerWaalsContact OG-CZ 3.23Å; S1240-F1661 WeakPolarHBondContact OG-CZ 3.32Å; L1243-F1661 HydrophobicContact CD1-CD1 3.45Å; L1243-F1661 VanDerWaalsContact CD1-CD1 3.45Å; L1243-F1661 HydrophobicContact CD1-CE1 3.14Å; L1243-F1661 HydrophobicContact CD1-CZ 4.22Å; L1243-F1661 HydrophobicContact CG-CD1 4.43Å; L1243-F1661 HydrophobicContact CG-CE1 4.38Å; S1636-F1661 WeakPolarHBondContact O-CD2 2.91Å; S1636-F1661 PolarHBondContact O-N 3.07Å; S1636-F1661 WeakPolarHBondContact OG-CE2 2.85Å; L1637-F1661 HydrophobicContact CB-CB 4.38Å; L1637-F1661 HydrophobicContact CB-CD1 3.93Å; L1637-F1661 HydrophobicContact CB-CD2 3.3Å; L1637-F1661 HydrophobicContact CB-CE1 4.02Å; L1637-F1661 HydrophobicContact CB-CE2 3.46Å; L1637-F1661 VanDerWaalsContact CB-CE2 3.46Å; L1637-F1661 HydrophobicContact CB-CG 3.6Å; L1637-F1661 HydrophobicContact CB-CZ 3.82Å; L1637-F1661 HydrophobicContact CD1-CB 4.39Å; L1637-F1661 HydrophobicContact CD1-CD1 3.51Å; L1637-F1661 HydrophobicContact CD1-CD2 4.3Å; L1637-F1661 HydrophobicContact CD1-CE1 3.16Å; L1637-F1661 HydrophobicContact CD1-CE2 4.06Å; L1637-F1661 HydrophobicContact CD1-CG 4.09Å; L1637-F1661 HydrophobicContact CD1-CZ 3.5Å; L1637-F1661 VanDerWaalsContact CD1-CZ 3.5Å; L1637-F1661 HydrophobicContact CG-CB 4.15Å; L1637-F1661 HydrophobicContact CG-CD1 3.35Å; L1637-F1661 HydrophobicContact CG-CD2 3.72Å; L1637-F1661 HydrophobicContact CG-CE1 3.55Å; L1637-F1661 HydrophobicContact CG-CE2 3.95Å; L1637-F1661 HydrophobicContact CG-CG 3.45Å; L1637-F1661 VanDerWaalsContact CG-CG 3.45Å; L1637-F1661 HydrophobicContact CG-CZ 3.88Å; L1638-F1661 CarbonylContact C-O 3.51Å; L1638-F1661 WeakPolarHBondContact CA-O 2.96Å; L1638-F1661 WeakPolarHBondContact CB-O 3.21Å; L1638-F1661 PolarHBondContact N-O 2.89Å; L1638-F1661 CarbonylContact O-C 3.03Å; F1661-Y1663 HydrophobicContact CB-CD2 3.95Å; F1661-Y1663 HydrophobicContact CB-CE2 3.78Å; F1661-Y1663 VanDerWaalsContact CB-CE2 3.49Å; F1661-Y1663 AromaticContact CD1-CE2 3.63Å; F1661-Y1663 HydrophobicContact CD1-CE2 3.63Å; F1661-Y1663 AromaticContact CD1-CZ 3.88Å; F1661-Y1663 WeakPolarHBondContact CD1-OH 3.37Å; F1661-Y1663 HydrophobicContact CG-CE2 4.09Å; F1661-L1685 HydrophobicContact CD1-CB 3.92Å; F1661-L1685 HydrophobicContact CD1-CD1 4.43Å; F1661-L1685 HydrophobicContact CE1-CB 4.44Å |
| 1662 | L | 95.5 | Very high | 91.9 | Very high | 0.8 Ų | 0.8 | 33.4 Ų | 33.4 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 109.5 | 172.5 | 179.1 | 56 | 0 | 0 | 0 | 109.7 | L1638 L1640 F1653 I1659 R1660 L1664 F1677 L1680 L1683 L1685 L1686 D1687 | L1638-L1662 HydrophobicContact CB-CD1 4.14Å; L1638-L1662 HydrophobicContact CD2-CD1 4.03Å; L1638-L1662 HydrophobicContact CG-CD1 4.12Å; L1638-L1662 WeakPolarHBondContact O-CA 3.35Å; L1640-L1662 HydrophobicContact CD1-CD1 4.46Å; F1653-L1662 HydrophobicContact CE1-CD1 4.4Å; F1653-L1662 HydrophobicContact CE2-CD2 4.36Å; F1653-L1662 HydrophobicContact CZ-CD1 4.2Å; F1653-L1662 HydrophobicContact CZ-CD2 4.22Å; I1659-L1662 HydrophobicContact CG2-CB 4.43Å; R1660-L1662 PolarHBondContact O-N 3.15Å; R1660-L1662 VanDerWaalsContact O-N 3.14Å; L1662-L1664 HydrophobicContact CD1-CD1 4.31Å; L1662-L1664 HydrophobicContact CD1-CD2 4.46Å; L1662-L1664 HydrophobicContact CD1-CG 4.2Å; L1662-L1664 HydrophobicContact CD2-CD1 4.03Å; L1662-L1664 HydrophobicContact CG-CD1 3.99Å; L1662-L1664 HydrophobicContact CG-CG 4.21Å; L1662-F1677 HydrophobicContact CD2-CD1 3.99Å; L1662-F1677 HydrophobicContact CD2-CE1 3.87Å; L1662-L1680 HydrophobicContact CD2-CD1 3.95Å; L1662-L1683 HydrophobicContact CB-CD1 3.8Å; L1662-L1685 PolarHBondContact N-O 3.09Å; L1662-L1685 VanDerWaalsContact N-O 3.12Å; L1662-L1686 HydrophobicContact CB-CD1 4.24Å; L1662-L1686 HydrophobicContact CD2-CD1 4.03Å; L1662-L1686 HydrophobicContact CG-CD1 4.07Å; L1662-D1687 PolarHBondContact O-N 3.02Å; L1662-D1687 VanDerWaalsContact O-N 3.09Å |
| 1663 | Y | 95.3 | Very high | 91.8 | Very high | 43.4 Ų | 43.4 | 37.8 Ų | 37.8 | 17% | 0.17 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 120.3 | 177.6 | -57 | -91 | 0 | 0 | 0 | 110.3 | L1243 N1244 L1637 L1638 N1639 L1640 A1641 F1661 L1685 D1687 | L1243-Y1663 HydrophobicContact CB-CE1 3.99Å; L1243-Y1663 WeakPolarHBondContact CB-OH 3.44Å; L1243-Y1663 WeakPolarHBondContact CD1-OH 3.28Å; N1244-Y1663 HydrophobicContact CB-CD1 3.91Å; N1244-Y1663 HydrophobicContact CB-CE1 4.03Å; N1244-Y1663 WeakPolarHBondContact ND2-CD1 3.06Å; L1637-Y1663 HydrophobicContact CD1-CE2 4.09Å; L1637-Y1663 HydrophobicContact CG-CE2 4.26Å; L1638-Y1663 PolarHBondContact O-N 3.17Å; L1638-Y1663 VanDerWaalsContact O-N 3.09Å; N1639-Y1663 HydrophobicContact CB-CD2 4.12Å; N1639-Y1663 HydrophobicContact CB-CE2 3.86Å; N1639-Y1663 HydrophobicContact CB-CG 4.27Å; N1639-Y1663 VanDerWaalsContact CG-CD2 3.5Å; N1639-Y1663 WeakPolarHBondContact OD1-CB 3.08Å; L1640-Y1663 CarbonylContact C-O 3.49Å; L1640-Y1663 WeakPolarHBondContact CA-O 3.3Å; L1640-Y1663 WeakPolarHBondContact CB-O 3.44Å; L1640-Y1663 PolarHBondContact N-O 3.02Å; L1640-Y1663 VanDerWaalsContact N-O 3.15Å; A1641-Y1663 PolarHBondContact N-O 2.98Å; F1661-Y1663 HydrophobicContact CB-CD2 3.95Å; F1661-Y1663 HydrophobicContact CB-CE2 3.78Å; F1661-Y1663 VanDerWaalsContact CB-CE2 3.49Å; F1661-Y1663 AromaticContact CD1-CE2 3.63Å; F1661-Y1663 HydrophobicContact CD1-CE2 3.63Å; F1661-Y1663 AromaticContact CD1-CZ 3.88Å; F1661-Y1663 WeakPolarHBondContact CD1-OH 3.37Å; F1661-Y1663 HydrophobicContact CG-CE2 4.09Å; Y1663-L1685 HydrophobicContact CD1-CD2 4.35Å; Y1663-L1685 HydrophobicContact CE1-CD2 3.9Å; Y1663-D1687 HydrophobicContact CD1-CB 4.12Å |
| 1664 | L | 96.5 | Very high | 91.8 | Very high | 3.2 Ų | 3.2 | 39.4 Ų | 39.4 | 2% | 0.017 | 21% | 0.213 | C | C | . | . | trans | -130.3 | 21.1 | 177.3 | -70.4 | 164.3 | 0 | 0 | 0 | 111.1 | L1640 I1645 I1648 L1662 N1667 F1677 L1686 D1687 L1688 N1691 | L1640-L1664 HydrophobicContact CB-CD2 3.83Å; L1640-L1664 HydrophobicContact CD1-CD2 4.05Å; I1645-L1664 HydrophobicContact CD1-CD2 4.01Å; I1648-L1664 HydrophobicContact CD1-CD1 3.53Å; I1648-L1664 HydrophobicContact CD1-CD2 3.89Å; I1648-L1664 HydrophobicContact CD1-CG 4.37Å; L1662-L1664 HydrophobicContact CD1-CD1 4.31Å; L1662-L1664 HydrophobicContact CD1-CD2 4.46Å; L1662-L1664 HydrophobicContact CD1-CG 4.2Å; L1662-L1664 HydrophobicContact CD2-CD1 4.03Å; L1662-L1664 HydrophobicContact CG-CD1 3.99Å; L1662-L1664 HydrophobicContact CG-CG 4.21Å; L1664-N1667 PolarHBondContact O-ND2 3.01Å; L1664-F1677 HydrophobicContact CD1-CE1 4.04Å; L1664-F1677 HydrophobicContact CD1-CZ 3.97Å; L1664-L1686 HydrophobicContact CD1-CD1 4.38Å; L1664-D1687 CarbonylContact C-O 3.34Å; L1664-D1687 WeakPolarHBondContact CA-O 3.41Å; L1664-D1687 WeakPolarHBondContact CB-O 3.43Å; L1664-D1687 PolarHBondContact N-O 3.12Å; L1664-L1688 HydrophobicContact CB-CD2 3.76Å; L1664-L1688 HydrophobicContact CD1-CD2 3.99Å; L1664-N1691 PolarHBondContact O-ND2 3.16Å | ||
| 1665 | S | 94.6 | Very high | 91.8 | Very high | 6.6 Ų | 6.6 | 40.5 Ų | 40.5 | 5% | 0.046 | 22% | 0.215 | C | C | . | . | trans | -61.4 | 157.6 | 176.9 | 70.3 | 0 | 0 | 0 | 0 | 112 | A1641 N1642 N1667 D1687 T1689 Y1957 | A1641-S1665 CarbonylContact C-O 3.45Å; A1641-S1665 VanDerWaalsContact CA-O 3.29Å; A1641-S1665 WeakPolarHBondContact CA-O 3.34Å; A1641-S1665 VanDerWaalsContact CB-OG 3.29Å; A1641-S1665 WeakPolarHBondContact CB-OG 3.42Å; N1642-S1665 PolarHBondContact N-O 3.23Å; S1665-N1667 PolarHBondContact O-N 3.05Å; S1665-N1667 PolarHBondContact O-ND2 3.16Å; S1665-D1687 VanDerWaalsContact CB-OD2 3.28Å; S1665-D1687 WeakPolarHBondContact CB-OD2 3.27Å; S1665-D1687 PolarHBondContact N-O 3.29Å; S1665-T1689 CarbonylContact C-O 3.35Å; S1665-T1689 VanDerWaalsContact CA-O 3.32Å; S1665-T1689 WeakPolarHBondContact CA-O 3.32Å; S1665-T1689 WeakPolarHBondContact CB-O 3.36Å; S1665-Y1957 PolarHBondContact OG-OH 3.04Å | ||
| 1666 | D | 96.3 | Very high | 91.9 | Very high | 40.4 Ų | 40.4 | 36.4 Ų | 36.4 | 22% | 0.216 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 55.4 | 56.7 | 173.1 | -51.4 | -76.5 | 0 | 0 | 0 | 112.1 | N1642 N1643 T1689 N1690 Y1957 | N1642-D1666 CarbonylContact C-O 3.52Å; N1642-D1666 WeakPolarHBondContact CA-O 3.42Å; N1642-D1666 HydrophobicContact CB-CB 4.15Å; N1642-D1666 PolarHBondContact N-O 3.16Å; N1642-D1666 WeakPolarHBondContact ND2-CB 3.49Å; N1642-D1666 PolarHBondContact ND2-OD2 2.8Å; N1642-D1666 WeakPolarHBondContact OD1-CB 3.14Å; N1643-D1666 PolarHBondContact N-O 3.06Å; D1666-T1689 PolarHBondContact N-O 3.24Å; D1666-N1690 VanDerWaalsContact CA-O 3.25Å; D1666-N1690 WeakPolarHBondContact CA-O 3.32Å; D1666-N1690 PolarHBondContact N-O 3.16Å; D1666-N1690 WeakPolarHBondContact OD1-CB 3.25Å; D1666-N1690 PolarHBondContact OD1-ND2 3.11Å; D1666-Y1957 VanDerWaalsContact OD2-CE1 3.23Å; D1666-Y1957 WeakPolarHBondContact OD2-CE1 3.44Å; D1666-Y1957 VanDerWaalsContact OD2-CZ 3.29Å; D1666-Y1957 PolarHBondContact OD2-OH 3.19Å |
| 1667 | N | 96.1 | Very high | 91.9 | Very high | 7.2 Ų | 7.2 | 36.2 Ų | 36.2 | 4% | 0.039 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -137.4 | 175 | -176.8 | -89.8 | -84.4 | 0 | 0 | 0 | 110.8 | L1640 N1643 Q1644 I1645 L1664 S1665 Y1669 N1690 N1691 | L1640-N1667 PolarHBondContact O-ND2 3.12Å; L1640-N1667 VanDerWaalsContact O-ND2 3.11Å; N1643-N1667 WeakPolarHBondContact CA-OD1 3.35Å; N1643-N1667 VanDerWaalsContact CB-OD1 3.25Å; N1643-N1667 WeakPolarHBondContact CB-OD1 3.22Å; N1643-N1667 PolarHBondContact N-ND2 3.43Å; N1643-N1667 PolarHBondContact N-OD1 3.42Å; N1643-N1667 PolarHBondContact O-OD1 3.07Å; Q1644-N1667 PolarHBondContact N-OD1 3.09Å; I1645-N1667 HydrophobicContact CB-CB 4.39Å; I1645-N1667 VanDerWaalsContact CB-OD1 3.22Å; I1645-N1667 WeakPolarHBondContact CB-OD1 3.39Å; I1645-N1667 VanDerWaalsContact CG1-OD1 3.29Å; I1645-N1667 WeakPolarHBondContact CG1-OD1 3.3Å; I1645-N1667 PolarHBondContact N-OD1 3.11Å; L1664-N1667 PolarHBondContact O-ND2 3.01Å; S1665-N1667 PolarHBondContact O-N 3.05Å; S1665-N1667 PolarHBondContact O-ND2 3.16Å; N1667-Y1669 VanDerWaalsContact C-N 3.34Å; N1667-Y1669 PolarHBondContact O-N 3.2Å; N1667-N1690 PolarHBondContact N-O 3.06Å; N1667-N1691 WeakPolarHBondContact CA-OD1 3.32Å; N1667-N1691 WeakPolarHBondContact CB-OD1 3.35Å; N1667-N1691 PolarHBondContact N-ND2 3.48Å; N1667-N1691 WeakPolarHBondContact O-CA 3.26Å; N1667-N1691 PolarHBondContact O-OD1 3.07Å; N1667-N1691 VanDerWaalsContact O-OD1 3.09Å |
| 1668 | N | 95.6 | Very high | 91.8 | Very high | 57.2 Ų | 57.2 | 35.6 Ų | 35.6 | 31% | 0.306 | 19% | 0.189 | S | C | . | . | trans | -95.7 | 23.2 | -178.3 | -78.5 | -30.3 | 0 | 0 | 0 | 113.6 | I1645 E1646 T1670 Q1692 | I1645-N1668 CarbonylContact O-C 3.26Å; I1645-N1668 VanDerWaalsContact O-C 3.25Å; I1645-N1668 WeakPolarHBondContact O-CA 3.33Å; I1645-N1668 PolarHBondContact O-N 3.17Å; E1646-N1668 HydrophobicContact CG-CB 3.81Å; N1668-T1670 WeakPolarHBondContact O-CG2 3.45Å; N1668-T1670 PolarHBondContact O-N 3.13Å; N1668-T1670 VanDerWaalsContact O-N 3.13Å; N1668-Q1692 PolarHBondContact OD1-NE2 3.01Å | ||
| 1669 | Y | 94.1 | Very high | 91.5 | Very high | 7.8 Ų | 7.8 | 34.9 Ų | 34.9 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | trans | -69.7 | 114.1 | -172 | -165 | -119 | 0 | 0 | 0 | 110.5 | I1645 E1646 I1648 N1667 S1671 L1672 L1688 N1691 Q1692 I1693 | I1645-Y1669 WeakPolarHBondContact O-CA 3.28Å; I1645-Y1669 PolarHBondContact O-N 2.8Å; I1645-Y1669 VanDerWaalsContact O-N 3.09Å; E1646-Y1669 WeakPolarHBondContact O-CD2 3.36Å; I1648-Y1669 HydrophobicContact CB-CE2 4.29Å; I1648-Y1669 HydrophobicContact CD1-CD2 4.49Å; I1648-Y1669 HydrophobicContact CD1-CE2 4.26Å; I1648-Y1669 HydrophobicContact CG1-CD2 4.41Å; I1648-Y1669 HydrophobicContact CG1-CE2 4.1Å; N1667-Y1669 VanDerWaalsContact C-N 3.34Å; N1667-Y1669 PolarHBondContact O-N 3.2Å; Y1669-S1671 PolarHBondContact OH-O 3.38Å; Y1669-L1672 HydrophobicContact CE1-CB 4.16Å; Y1669-L1672 HydrophobicContact CE1-CD1 4.05Å; Y1669-L1688 HydrophobicContact CD1-CD2 4.14Å; Y1669-L1688 HydrophobicContact CE1-CD2 4.49Å; Y1669-N1691 WeakPolarHBondContact CB-OD1 3.24Å; Y1669-N1691 PolarHBondContact N-OD1 2.99Å; Y1669-Q1692 CarbonylContact O-C 3.21Å; Y1669-Q1692 VanDerWaalsContact O-C 3.25Å; Y1669-Q1692 WeakPolarHBondContact O-CA 3.33Å; Y1669-Q1692 PolarHBondContact O-N 3.02Å; Y1669-I1693 HydrophobicContact CD1-CD1 4.05Å; Y1669-I1693 HydrophobicContact CD1-CG1 4.07Å; Y1669-I1693 WeakPolarHBondContact O-CG1 3.3Å; Y1669-I1693 PolarHBondContact O-N 3.05Å; Y1669-I1693 VanDerWaalsContact O-N 3.15Å | ||
| 1670 | T | 89.6 | Confident | 91.3 | Very high | 67 Ų | 67 | 35 Ų | 35 | 41% | 0.411 | 19% | 0.189 | S | C | . | . | trans | -97 | -33.6 | -168.6 | 47.9 | 0 | 0 | 0 | 0 | 114.3 | N1668 Q1692 I1693 | N1668-T1670 WeakPolarHBondContact O-CG2 3.45Å; N1668-T1670 PolarHBondContact O-N 3.13Å; N1668-T1670 VanDerWaalsContact O-N 3.13Å; T1670-Q1692 HydrophobicContact CG2-CB 3.92Å; T1670-I1693 WeakPolarHBondContact O-CA 3.28Å | ||
| 1671 | S | 87.8 | Confident | 91.1 | Very high | 74 Ų | 74 | 38.5 Ų | 38.5 | 52% | 0.517 | 21% | 0.208 | S | C | . | . | trans | -141.6 | 110.8 | -171.9 | -177.3 | 0 | 0 | 0 | 0 | 110.7 | Y1669 | Y1669-S1671 PolarHBondContact OH-O 3.38Š| ||
| 1672 | L | 91.1 | Very high | 91.1 | Very high | 5.4 Ų | 5.4 | 37 Ų | 37 | 3% | 0.028 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -75.2 | 124 | 170 | 179 | 62.5 | 0 | 0 | 0 | 109.3 | Y1669 F1677 I1693 I1696 P1697 A1700 F1701 | Y1669-L1672 HydrophobicContact CE1-CB 4.16Å; Y1669-L1672 HydrophobicContact CE1-CD1 4.05Å; L1672-F1677 HydrophobicContact CD1-CD2 4.27Å; L1672-F1677 HydrophobicContact CD1-CE2 3.74Å; L1672-I1693 HydrophobicContact CB-CG2 4.38Å; L1672-I1696 HydrophobicContact CD2-CG2 4.37Å; L1672-P1697 WeakPolarHBondContact O-CD 3.31Å; L1672-P1697 VanDerWaalsContact O-CG 3.28Å; L1672-P1697 WeakPolarHBondContact O-CG 3.32Å; L1672-A1700 HydrophobicContact CD2-CB 3.89Å; L1672-A1700 HydrophobicContact CG-CB 4.36Å; L1672-F1701 HydrophobicContact CD2-CE1 3.94Å; L1672-F1701 HydrophobicContact CD2-CE2 4.17Å; L1672-F1701 HydrophobicContact CD2-CZ 3.5Å; L1672-F1701 VanDerWaalsContact CD2-CZ 3.5Å |
| 1673 | E | 89.5 | Confident | 91 | Very high | 93 Ų | 93 | 37 Ų | 37 | 44% | 0.435 | 20% | 0.203 | S | C | . | . | P | Polyproline II helix | trans | -94.8 | 147.8 | 173.9 | -53 | -174.1 | 166.7 | 0 | 0 | 111.9 | R1650 H1675 T1676 | R1650-E1673 IonicContact CZ-OE2 2.78Å; R1650-E1673 IonicContact NE-OE2 3.16Å; R1650-E1673 PolarHBondContact NE-OE2 3.03Å; R1650-E1673 IonicContact NH2-OE2 3.23Å; R1650-E1673 PolarHBondContact NH2-OE2 3.03Å; E1673-H1675 PolarHBondContact O-N 2.99Å; E1673-T1676 WeakPolarHBondContact CB-OG1 3.27Å; E1673-T1676 PolarHBondContact N-OG1 3.17Å; E1673-T1676 WeakPolarHBondContact O-CB 3.29Å; E1673-T1676 PolarHBondContact O-N 3.17Å; E1673-T1676 PolarHBondContact O-OG1 3.04Å |
| 1674 | S | 89.2 | Confident | 90.8 | Very high | 36.2 Ų | 36.2 | 36.9 Ų | 36.9 | 25% | 0.253 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | 134.8 | 170.8 | -48.3 | 0 | 0 | 0 | 0 | 111.8 | R1650 T1676 T1698 | R1650-S1674 VanDerWaalsContact CZ-O 3.29Å; R1650-S1674 PolarHBondContact NH1-O 2.93Å; R1650-S1674 VanDerWaalsContact NH1-O 3.11Å; R1650-S1674 PolarHBondContact NH2-O 2.88Å; S1674-T1676 VanDerWaalsContact C-N 3.28Å; S1674-T1676 PolarHBondContact O-N 3.1Å; S1674-T1698 VanDerWaalsContact CB-O 3.24Å; S1674-T1698 WeakPolarHBondContact CB-O 3.38Å; S1674-T1698 PolarHBondContact OG-O 3.21Å |
| 1675 | H | 87 | Confident | 90.6 | Very high | 77 Ų | 77 | 37.3 Ų | 37.3 | 36% | 0.356 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 14.3 | -178.8 | -46 | -2.7 | 0 | 0 | 0 | 116.6 | E1673 F1677 S1678 D1699 | E1673-H1675 PolarHBondContact O-N 2.99Å; H1675-F1677 VanDerWaalsContact C-N 3.3Å; H1675-F1677 PolarHBondContact O-N 3.13Å; H1675-F1677 VanDerWaalsContact O-N 3.15Å; H1675-S1678 VanDerWaalsContact O-CB 3.29Å; H1675-S1678 WeakPolarHBondContact O-CB 3.32Å; H1675-S1678 PolarHBondContact O-N 3.01Å; H1675-S1678 VanDerWaalsContact O-N 3.11Å; H1675-S1678 PolarHBondContact O-OG 3.01Å; H1675-D1699 VanDerWaalsContact CE1-CB 3.44Å; H1675-D1699 WeakPolarHBondContact CE1-CB 3.34Å; H1675-D1699 IonicContact CE1-OD2 2.65Å; H1675-D1699 PolarHBondContact N-O 2.89Å; H1675-D1699 VanDerWaalsContact N-O 3.13Å; H1675-D1699 PolarHBondContact ND1-O 3.29Å; H1675-D1699 VanDerWaalsContact ND1-O 3.16Å |
| 1676 | T | 87.6 | Confident | 90.7 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -41.3 | -178.2 | -61.8 | 0 | 0 | 0 | 0 | 113.3 | I1648 E1673 S1674 | I1648-T1676 HydrophobicContact CG2-CG2 4.41Å; E1673-T1676 WeakPolarHBondContact CB-OG1 3.27Å; E1673-T1676 PolarHBondContact N-OG1 3.17Å; E1673-T1676 WeakPolarHBondContact O-CB 3.29Å; E1673-T1676 PolarHBondContact O-N 3.17Å; E1673-T1676 PolarHBondContact O-OG1 3.04Å; S1674-T1676 VanDerWaalsContact C-N 3.28Å; S1674-T1676 PolarHBondContact O-N 3.1Å |
| 1677 | F | 89 | Confident | 90.6 | Very high | 0.4 Ų | 0.4 | 36 Ų | 36 | 0% | 0.002 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 12.4 | -177 | -56.5 | -71.8 | 0 | 0 | 0 | 113.4 | I1648 F1653 L1662 L1664 L1672 H1675 T1679 L1680 L1686 L1688 F1701 M1704 | I1648-F1677 HydrophobicContact CD1-CE1 4.25Å; I1648-F1677 HydrophobicContact CD1-CZ 4.16Å; I1648-F1677 HydrophobicContact CG2-CE1 4.47Å; F1653-F1677 AromaticContact CE2-CD1 3.97Å; F1653-F1677 HydrophobicContact CE2-CD1 4.13Å; F1653-F1677 HydrophobicContact CE2-CE1 4.18Å; L1662-F1677 HydrophobicContact CD2-CD1 3.99Å; L1662-F1677 HydrophobicContact CD2-CE1 3.87Å; L1664-F1677 HydrophobicContact CD1-CE1 4.04Å; L1664-F1677 HydrophobicContact CD1-CZ 3.97Å; L1672-F1677 HydrophobicContact CD1-CD2 4.27Å; L1672-F1677 HydrophobicContact CD1-CE2 3.74Å; H1675-F1677 VanDerWaalsContact C-N 3.3Å; H1675-F1677 PolarHBondContact O-N 3.13Å; H1675-F1677 VanDerWaalsContact O-N 3.15Å; F1677-T1679 PolarHBondContact O-N 2.97Å; F1677-T1679 VanDerWaalsContact O-N 3.15Å; F1677-L1680 HydrophobicContact CB-CD1 4.29Å; F1677-L1680 HydrophobicContact CD1-CD1 4.1Å; F1677-L1680 WeakPolarHBondContact O-CB 3.37Å; F1677-L1680 PolarHBondContact O-N 3.04Å; F1677-L1686 HydrophobicContact CD2-CD2 3.88Å; F1677-L1686 VanDerWaalsContact CD2-CD2 3.47Å; F1677-L1686 HydrophobicContact CE2-CD2 4Å; F1677-L1686 HydrophobicContact CG-CD2 4.1Å; F1677-L1686 HydrophobicContact CZ-CD2 4.37Å; F1677-L1688 HydrophobicContact CE2-CD1 4.37Å; F1677-F1701 HydrophobicContact CD2-CE1 4.4Å; F1677-M1704 HydrophobicContact CB-CE 3.83Å; F1677-M1704 HydrophobicContact CB-CG 4.48Å; F1677-M1704 HydrophobicContact CB-SD 3.64Å; F1677-M1704 WeakPolarHBondContact CB-SD 3.23Å; F1677-M1704 HydrophobicContact CG-SD 4.42Å; F1677-M1704 WeakPolarHBondContact O-CG 3.26Å |
| 1678 | S | 85.5 | Confident | 90.6 | Very high | 46.2 Ų | 46.2 | 35.7 Ų | 35.7 | 32% | 0.323 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -17.4 | -172.9 | 58.9 | 0 | 0 | 0 | 0 | 115.2 | H1675 L1680 S1702 | H1675-S1678 VanDerWaalsContact O-CB 3.29Å; H1675-S1678 WeakPolarHBondContact O-CB 3.32Å; H1675-S1678 PolarHBondContact O-N 3.01Å; H1675-S1678 VanDerWaalsContact O-N 3.11Å; H1675-S1678 PolarHBondContact O-OG 3.01Å; S1678-L1680 VanDerWaalsContact C-N 3.31Å; S1678-L1680 PolarHBondContact O-N 2.74Å; S1678-S1702 VanDerWaalsContact CA-O 3.32Å; S1678-S1702 WeakPolarHBondContact CA-O 3.41Å; S1678-S1702 VanDerWaalsContact CB-O 3.25Å; S1678-S1702 WeakPolarHBondContact CB-O 3.34Å |
| 1679 | T | 84.1 | Confident | 90.6 | Very high | 65 Ų | 65 | 34 Ų | 34 | 40% | 0.399 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -5.7 | 176.2 | 56.3 | 0 | 0 | 0 | 0 | 113.9 | F1653 F1677 E1681 | F1653-T1679 PolarHBondContact O-OG1 3.15Å; F1677-T1679 PolarHBondContact O-N 2.97Å; F1677-T1679 VanDerWaalsContact O-N 3.15Å; T1679-E1681 VanDerWaalsContact C-N 3.31Å; T1679-E1681 PolarHBondContact O-N 3.18Å; T1679-E1681 VanDerWaalsContact O-N 3.16Å |
| 1680 | L | 89.5 | Confident | 90.7 | Very high | 2.2 Ų | 2.2 | 36.8 Ų | 36.8 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | trans | -99.9 | 66.6 | -176.5 | -57.7 | -179 | 0 | 0 | 0 | 110.5 | F1653 V1656 I1659 L1662 F1677 S1678 S1682 L1683 M1704 | F1653-L1680 HydrophobicContact CB-CD1 4.41Å; F1653-L1680 HydrophobicContact CB-CD2 3.74Å; F1653-L1680 HydrophobicContact CB-CG 4.33Å; F1653-L1680 HydrophobicContact CD1-CD2 4.49Å; F1653-L1680 HydrophobicContact CD2-CD1 4.13Å; F1653-L1680 HydrophobicContact CD2-CD2 4.37Å; F1653-L1680 HydrophobicContact CD2-CG 4.43Å; F1653-L1680 HydrophobicContact CE2-CD1 4.4Å; F1653-L1680 HydrophobicContact CG-CD1 4.32Å; F1653-L1680 HydrophobicContact CG-CD2 4.07Å; F1653-L1680 HydrophobicContact CG-CG 4.48Å; V1656-L1680 HydrophobicContact CG2-CD2 3.98Å; I1659-L1680 HydrophobicContact CB-CD2 4.25Å; I1659-L1680 HydrophobicContact CD1-CD2 4.05Å; I1659-L1680 HydrophobicContact CG1-CD2 4.46Å; L1662-L1680 HydrophobicContact CD2-CD1 3.95Å; F1677-L1680 HydrophobicContact CB-CD1 4.29Å; F1677-L1680 HydrophobicContact CD1-CD1 4.1Å; F1677-L1680 WeakPolarHBondContact O-CB 3.37Å; F1677-L1680 PolarHBondContact O-N 3.04Å; S1678-L1680 VanDerWaalsContact C-N 3.31Å; S1678-L1680 PolarHBondContact O-N 2.74Å; L1680-S1682 PolarHBondContact O-N 3.2Å; L1680-L1683 HydrophobicContact CB-CB 3.99Å; L1680-L1683 HydrophobicContact CB-CD1 3.85Å; L1680-L1683 HydrophobicContact CB-CD2 3.91Å; L1680-L1683 HydrophobicContact CB-CG 3.8Å; L1680-L1683 HydrophobicContact CD1-CD1 4.28Å; L1680-L1683 HydrophobicContact CD1-CD2 4.13Å; L1680-L1683 HydrophobicContact CD1-CG 4.48Å; L1680-L1683 HydrophobicContact CG-CD1 4.38Å; L1680-L1683 HydrophobicContact CG-CD2 4.21Å; L1680-L1683 WeakPolarHBondContact O-CB 3.46Å; L1680-L1683 PolarHBondContact O-N 2.95Å; L1680-M1704 HydrophobicContact CB-CG 4.36Å; L1680-M1704 HydrophobicContact CB-SD 4.49Å | ||
| 1681 | E | 87.5 | Confident | 91 | Very high | 130.2 Ų | 130.2 | 34 Ų | 34 | 61% | 0.608 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -28.8 | -171.9 | -65.3 | -178.6 | -167.1 | 0 | 0 | 114.3 | E1237 T1679 L1683 S1705 K1706 | E1237-E1681 PolarHBondContact OE1-N 2.79Å; T1679-E1681 VanDerWaalsContact C-N 3.31Å; T1679-E1681 PolarHBondContact O-N 3.18Å; T1679-E1681 VanDerWaalsContact O-N 3.16Å; E1681-L1683 PolarHBondContact O-N 3.38Å; E1681-S1705 PolarHBondContact O-OG 3.2Å; E1681-K1706 WeakPolarHBondContact O-CE 3.09Å |
| 1682 | S | 90.6 | Very high | 91.3 | Very high | 12.2 Ų | 12.2 | 32.9 Ų | 32.9 | 9% | 0.085 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 0.6 | 178.3 | -62.9 | 0 | 0 | 0 | 0 | 115.3 | E1237 P1657 I1659 R1660 L1680 E1684 K1706 | E1237-S1682 CarbonylContact O-C 3.27Å; E1237-S1682 VanDerWaalsContact O-C 3.25Å; E1237-S1682 WeakPolarHBondContact OE2-CA 3.42Å; E1237-S1682 WeakPolarHBondContact OE2-CB 3.5Å; E1237-S1682 PolarHBondContact OE2-N 2.94Å; E1237-S1682 PolarHBondContact OE2-OG 3.01Å; P1657-S1682 VanDerWaalsContact O-CB 3.27Å; P1657-S1682 WeakPolarHBondContact O-CB 3.37Å; P1657-S1682 PolarHBondContact O-OG 3.06Å; I1659-S1682 CarbonylContact O-C 3.45Å; R1660-S1682 WeakPolarHBondContact CG-O 3.42Å; L1680-S1682 PolarHBondContact O-N 3.2Å; S1682-E1684 PolarHBondContact O-N 3.11Å; S1682-K1706 WeakPolarHBondContact O-CB 3.33Å; S1682-K1706 PolarHBondContact OG-NZ 3.06Å |
| 1683 | L | 93.4 | Very high | 91.6 | Very high | 0.4 Ų | 0.4 | 32.7 Ų | 32.7 | 0% | 0.002 | 17% | 0.173 | C | C | . | . | trans | -61.9 | 125.4 | -175.4 | -165 | 70.4 | 0 | 0 | 0 | 110.9 | E1237 K1241 I1659 R1660 L1662 L1680 E1681 L1685 L1686 M1704 K1706 L1707 | E1237-L1683 PolarHBondContact O-N 2.95Å; K1241-L1683 HydrophobicContact CD-CB 4.29Å; K1241-L1683 HydrophobicContact CD-CD1 3.42Å; K1241-L1683 VanDerWaalsContact CD-CD1 3.42Å; K1241-L1683 HydrophobicContact CD-CD2 4.36Å; K1241-L1683 HydrophobicContact CD-CG 3.41Å; K1241-L1683 VanDerWaalsContact CD-CG 3.41Å; K1241-L1683 VanDerWaalsContact CE-CD1 3.47Å; K1241-L1683 VanDerWaalsContact NZ-CG 3.29Å; I1659-L1683 HydrophobicContact CB-CD1 4.33Å; I1659-L1683 HydrophobicContact CG2-CD1 3.7Å; I1659-L1683 VanDerWaalsContact O-CA 3.3Å; I1659-L1683 WeakPolarHBondContact O-CA 3.21Å; I1659-L1683 VanDerWaalsContact O-CD1 3.28Å; I1659-L1683 WeakPolarHBondContact O-CD1 3.38Å; I1659-L1683 PolarHBondContact O-N 3.01Å; I1659-L1683 VanDerWaalsContact O-N 3.09Å; R1660-L1683 WeakPolarHBondContact O-CD1 2.97Å; L1662-L1683 HydrophobicContact CB-CD1 3.8Å; L1680-L1683 HydrophobicContact CB-CB 3.99Å; L1680-L1683 HydrophobicContact CB-CD1 3.85Å; L1680-L1683 HydrophobicContact CB-CD2 3.91Å; L1680-L1683 HydrophobicContact CB-CG 3.8Å; L1680-L1683 HydrophobicContact CD1-CD1 4.28Å; L1680-L1683 HydrophobicContact CD1-CD2 4.13Å; L1680-L1683 HydrophobicContact CD1-CG 4.48Å; L1680-L1683 HydrophobicContact CG-CD1 4.38Å; L1680-L1683 HydrophobicContact CG-CD2 4.21Å; L1680-L1683 WeakPolarHBondContact O-CB 3.46Å; L1680-L1683 PolarHBondContact O-N 2.95Å; E1681-L1683 PolarHBondContact O-N 3.38Å; L1683-L1685 WeakPolarHBondContact CD1-O 3.34Å; L1683-L1686 HydrophobicContact CD2-CB 3.96Å; L1683-L1686 HydrophobicContact CD2-CD1 4.42Å; L1683-L1686 HydrophobicContact CD2-CD2 4.47Å; L1683-M1704 HydrophobicContact CB-CE 4.2Å; L1683-M1704 HydrophobicContact CB-CG 4.48Å; L1683-M1704 HydrophobicContact CB-SD 4.3Å; L1683-M1704 HydrophobicContact CD2-CE 3.64Å; L1683-M1704 HydrophobicContact CD2-SD 3.57Å; L1683-M1704 VanDerWaalsContact CD2-SD 3.53Å; L1683-M1704 WeakPolarHBondContact CD2-SD 3.02Å; L1683-M1704 HydrophobicContact CG-SD 4.46Å; L1683-K1706 CarbonylContact O-C 3.43Å; L1683-K1706 WeakPolarHBondContact O-CB 3.11Å; L1683-L1707 HydrophobicContact CD2-CD1 4.09Å; L1683-L1707 HydrophobicContact CG-CD1 4.1Å; L1683-L1707 WeakPolarHBondContact O-CA 3.36Å; L1683-L1707 PolarHBondContact O-N 3.07Å | ||
| 1684 | E | 91.4 | Very high | 91.8 | Very high | 41.2 Ų | 41.2 | 31.6 Ų | 31.6 | 19% | 0.193 | 17% | 0.173 | C | C | . | . | trans | -102 | -45.6 | 178.5 | -72.2 | 174.7 | -148.9 | 0 | 0 | 112.1 | V1239 K1241 Q1242 R1660 S1682 L1686 K1706 L1707 A1708 Q1709 | V1239-E1684 WeakPolarHBondContact CA-OE1 3.34Å; V1239-E1684 PolarHBondContact N-OE1 3.44Å; K1241-E1684 HydrophobicContact CB-CB 3.98Å; K1241-E1684 PolarHBondContact NZ-O 2.87Å; K1241-E1684 WeakPolarHBondContact O-CB 3.21Å; Q1242-E1684 VanDerWaalsContact CG-OE2 3.27Å; Q1242-E1684 WeakPolarHBondContact CG-OE2 3.48Å; Q1242-E1684 PolarHBondContact NE2-OE2 3.2Å; R1660-E1684 HydrophobicContact CB-CB 4.37Å; R1660-E1684 HydrophobicContact CB-CG 4.49Å; R1660-E1684 HydrophobicContact CG-CG 4.44Å; R1660-E1684 IonicContact CZ-OE1 3.34Å; R1660-E1684 VanDerWaalsContact CZ-OE1 3.24Å; R1660-E1684 IonicContact CZ-OE2 2.84Å; R1660-E1684 VanDerWaalsContact NE-CD 3.3Å; R1660-E1684 IonicContact NE-OE1 2.94Å; R1660-E1684 PolarHBondContact NE-OE1 2.98Å; R1660-E1684 IonicContact NE-OE2 3.19Å; R1660-E1684 PolarHBondContact NE-OE2 3.03Å; R1660-E1684 VanDerWaalsContact NH2-CD 3.34Å; R1660-E1684 IonicContact NH2-OE1 3.47Å; R1660-E1684 PolarHBondContact NH2-OE1 3.32Å; R1660-E1684 IonicContact NH2-OE2 3.32Å; R1660-E1684 PolarHBondContact NH2-OE2 3.23Å; R1660-E1684 WeakPolarHBondContact O-CA 3.37Å; R1660-E1684 PolarHBondContact O-N 2.89Å; S1682-E1684 PolarHBondContact O-N 3.11Å; E1684-L1686 PolarHBondContact O-N 3.11Å; E1684-K1706 WeakPolarHBondContact CA-O 3.47Å; E1684-K1706 HydrophobicContact CG-CB 4.31Å; E1684-K1706 WeakPolarHBondContact CG-O 3.35Å; E1684-L1707 WeakPolarHBondContact O-CD1 3.44Å; E1684-A1708 PolarHBondContact O-N 3.29Å; E1684-Q1709 PolarHBondContact O-N 2.86Å | ||
| 1685 | L | 93.2 | Very high | 92.1 | Very high | 12.6 Ų | 12.6 | 33.1 Ų | 33.1 | 7% | 0.066 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 125.7 | -179.4 | -175.9 | 159.3 | 0 | 0 | 0 | 112.8 | K1241 N1244 R1660 F1661 L1662 Y1663 L1683 D1687 Q1709 Y1711 | K1241-L1685 HydrophobicContact CB-CB 4.44Å; K1241-L1685 WeakPolarHBondContact CD-O 3.04Å; K1241-L1685 WeakPolarHBondContact CE-O 3.4Å; K1241-L1685 HydrophobicContact CG-CB 4.02Å; K1241-L1685 WeakPolarHBondContact CG-O 3.46Å; K1241-L1685 PolarHBondContact NZ-O 3.38Å; K1241-L1685 WeakPolarHBondContact O-CA 3.44Å; K1241-L1685 WeakPolarHBondContact O-CB 3.3Å; K1241-L1685 PolarHBondContact O-N 2.84Å; N1244-L1685 HydrophobicContact CB-CD1 4.25Å; N1244-L1685 HydrophobicContact CB-CD2 4.09Å; R1660-L1685 PolarHBondContact O-N 2.91Å; F1661-L1685 HydrophobicContact CD1-CB 3.92Å; F1661-L1685 HydrophobicContact CD1-CD1 4.43Å; F1661-L1685 HydrophobicContact CE1-CB 4.44Å; L1662-L1685 PolarHBondContact N-O 3.09Å; L1662-L1685 VanDerWaalsContact N-O 3.12Å; Y1663-L1685 HydrophobicContact CD1-CD2 4.35Å; Y1663-L1685 HydrophobicContact CE1-CD2 3.9Å; L1683-L1685 WeakPolarHBondContact CD1-O 3.34Å; L1685-D1687 HydrophobicContact CD2-CB 4.11Å; L1685-Q1709 CarbonylContact C-O 3.55Å; L1685-Q1709 WeakPolarHBondContact CA-O 3.33Å; L1685-Q1709 HydrophobicContact CB-CB 4.27Å; L1685-Q1709 HydrophobicContact CD1-CB 4.38Å; L1685-Q1709 VanDerWaalsContact CD1-OE1 3.23Å; L1685-Q1709 HydrophobicContact CG-CB 4.11Å; L1685-Y1711 HydrophobicContact CD1-CD2 3.84Å; L1685-Y1711 HydrophobicContact CD1-CE2 3.86Å; L1685-Y1711 HydrophobicContact CD2-CD2 3.36Å; L1685-Y1711 HydrophobicContact CD2-CE2 3.8Å; L1685-Y1711 HydrophobicContact CD2-CG 4.34Å; L1685-Y1711 HydrophobicContact CG-CD2 4.13Å; L1685-Y1711 VanDerWaalsContact CG-CD2 3.48Å; L1685-Y1711 HydrophobicContact CG-CE2 4.04Å; L1685-Y1711 VanDerWaalsContact CG-CE2 3.41Å |
| 1686 | L | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 123.5 | 169.3 | -179.1 | 56.6 | 0 | 0 | 0 | 110.1 | L1662 L1664 F1677 L1683 E1684 L1688 F1701 M1704 L1707 Q1709 L1710 Y1711 | L1662-L1686 HydrophobicContact CB-CD1 4.24Å; L1662-L1686 HydrophobicContact CD2-CD1 4.03Å; L1662-L1686 HydrophobicContact CG-CD1 4.07Å; L1664-L1686 HydrophobicContact CD1-CD1 4.38Å; F1677-L1686 HydrophobicContact CD2-CD2 3.88Å; F1677-L1686 VanDerWaalsContact CD2-CD2 3.47Å; F1677-L1686 HydrophobicContact CE2-CD2 4Å; F1677-L1686 HydrophobicContact CG-CD2 4.1Å; F1677-L1686 HydrophobicContact CZ-CD2 4.37Å; L1683-L1686 HydrophobicContact CD2-CB 3.96Å; L1683-L1686 HydrophobicContact CD2-CD1 4.42Å; L1683-L1686 HydrophobicContact CD2-CD2 4.47Å; E1684-L1686 PolarHBondContact O-N 3.11Å; L1686-L1688 HydrophobicContact CD1-CD1 4.43Å; L1686-L1688 HydrophobicContact CD1-CG 4.27Å; L1686-L1688 HydrophobicContact CD2-CD1 4Å; L1686-L1688 HydrophobicContact CG-CD1 4.11Å; L1686-L1688 HydrophobicContact CG-CG 4.28Å; L1686-F1701 HydrophobicContact CD2-CD1 4.42Å; L1686-F1701 HydrophobicContact CD2-CE1 4.05Å; L1686-M1704 HydrophobicContact CD2-CE 4.43Å; L1686-L1707 HydrophobicContact CB-CD1 4.02Å; L1686-Q1709 PolarHBondContact N-O 2.99Å; L1686-Q1709 VanDerWaalsContact N-O 3.08Å; L1686-L1710 HydrophobicContact CB-CD1 4.15Å; L1686-L1710 HydrophobicContact CD2-CD1 4.1Å; L1686-L1710 HydrophobicContact CG-CD1 4.12Å; L1686-L1710 WeakPolarHBondContact O-CA 3.35Å; L1686-Y1711 PolarHBondContact O-N 3.05Å |
| 1687 | D | 94.7 | Very high | 92.9 | Very high | 19.2 Ų | 19.2 | 30.2 Ų | 30.2 | 10% | 0.103 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 122.4 | 174.5 | -174.1 | 15.5 | 0 | 0 | 0 | 111.9 | N1244 K1245 L1662 Y1663 L1664 S1665 L1685 T1689 Y1711 | N1244-D1687 HydrophobicContact CB-CB 3.79Å; N1244-D1687 VanDerWaalsContact ND2-CB 3.28Å; N1244-D1687 WeakPolarHBondContact ND2-CB 3.47Å; N1244-D1687 VanDerWaalsContact ND2-CG 3.27Å; N1244-D1687 PolarHBondContact ND2-OD2 3.28Å; N1244-D1687 WeakPolarHBondContact O-CB 3.08Å; N1244-D1687 VanDerWaalsContact O-CG 3.26Å; K1245-D1687 IonicContact NZ-OD1 3.11Å; K1245-D1687 PolarHBondContact NZ-OD1 3.47Å; L1662-D1687 PolarHBondContact O-N 3.02Å; L1662-D1687 VanDerWaalsContact O-N 3.09Å; Y1663-D1687 HydrophobicContact CD1-CB 4.12Å; L1664-D1687 CarbonylContact C-O 3.34Å; L1664-D1687 WeakPolarHBondContact CA-O 3.41Å; L1664-D1687 WeakPolarHBondContact CB-O 3.43Å; L1664-D1687 PolarHBondContact N-O 3.12Å; S1665-D1687 VanDerWaalsContact CB-OD2 3.28Å; S1665-D1687 WeakPolarHBondContact CB-OD2 3.27Å; S1665-D1687 PolarHBondContact N-O 3.29Å; L1685-D1687 HydrophobicContact CD2-CB 4.11Å; D1687-T1689 VanDerWaalsContact CG-N 3.33Å; D1687-T1689 WeakPolarHBondContact OD1-CB 3.25Å; D1687-T1689 PolarHBondContact OD1-N 3.06Å; D1687-T1689 PolarHBondContact OD1-OG1 3.08Å; D1687-T1689 WeakPolarHBondContact OD2-CB 3.5Å; D1687-T1689 PolarHBondContact OD2-N 3.36Å; D1687-T1689 PolarHBondContact OD2-OG1 3.09Å; D1687-Y1711 HydrophobicContact CB-CD2 4.5Å; D1687-Y1711 VanDerWaalsContact OD1-CB 3.3Å; D1687-Y1711 WeakPolarHBondContact OD1-CB 3.41Å |
| 1688 | L | 96.7 | Very high | 93.1 | Very high | 0.2 Ų | 0.2 | 32.5 Ų | 32.5 | 0% | 0.001 | 18% | 0.177 | C | C | . | . | trans | -127.1 | 25.6 | 178.3 | -70.6 | 162.5 | 0 | 0 | 0 | 110.4 | L1664 Y1669 F1677 L1686 N1691 I1693 Y1711 L1712 N1715 | L1664-L1688 HydrophobicContact CB-CD2 3.76Å; L1664-L1688 HydrophobicContact CD1-CD2 3.99Å; Y1669-L1688 HydrophobicContact CD1-CD2 4.14Å; Y1669-L1688 HydrophobicContact CE1-CD2 4.49Å; F1677-L1688 HydrophobicContact CE2-CD1 4.37Å; L1686-L1688 HydrophobicContact CD1-CD1 4.43Å; L1686-L1688 HydrophobicContact CD1-CG 4.27Å; L1686-L1688 HydrophobicContact CD2-CD1 4Å; L1686-L1688 HydrophobicContact CG-CD1 4.11Å; L1686-L1688 HydrophobicContact CG-CG 4.28Å; L1688-N1691 WeakPolarHBondContact O-CB 3.35Å; L1688-N1691 PolarHBondContact O-ND2 2.9Å; L1688-I1693 HydrophobicContact CB-CD1 4.04Å; L1688-I1693 HydrophobicContact CD1-CD1 4.13Å; L1688-I1693 HydrophobicContact CD2-CD1 4.46Å; L1688-I1693 HydrophobicContact CG-CD1 4.44Å; L1688-Y1711 CarbonylContact C-O 3.44Å; L1688-Y1711 WeakPolarHBondContact CA-O 3.22Å; L1688-Y1711 PolarHBondContact N-O 3.09Å; L1688-L1712 HydrophobicContact CB-CD2 3.84Å; L1688-L1712 HydrophobicContact CD1-CD2 3.95Å; L1688-L1712 HydrophobicContact CG-CD2 4.49Å; L1688-N1715 PolarHBondContact O-ND2 3.24Å | ||
| 1689 | T | 94.7 | Very high | 93.4 | Very high | 21.8 Ų | 21.8 | 32.7 Ų | 32.7 | 13% | 0.134 | 17% | 0.174 | C | C | . | . | trans | -59.3 | 147.3 | 178.6 | -54.8 | 0 | 0 | 0 | 0 | 111.5 | K1245 S1665 D1666 D1687 N1691 Y1711 G1713 Q1714 W2125 | K1245-T1689 HydrophobicContact CD-CG2 4.44Å; K1245-T1689 WeakPolarHBondContact CE-OG1 3.13Å; K1245-T1689 VanDerWaalsContact CG-OG1 3.24Å; K1245-T1689 WeakPolarHBondContact CG-OG1 3.39Å; K1245-T1689 VanDerWaalsContact NZ-CA 3.27Å; K1245-T1689 PolarHBondContact NZ-OG1 3.1Å; S1665-T1689 CarbonylContact C-O 3.35Å; S1665-T1689 VanDerWaalsContact CA-O 3.32Å; S1665-T1689 WeakPolarHBondContact CA-O 3.32Å; S1665-T1689 WeakPolarHBondContact CB-O 3.36Å; D1666-T1689 PolarHBondContact N-O 3.24Å; D1687-T1689 VanDerWaalsContact CG-N 3.33Å; D1687-T1689 WeakPolarHBondContact OD1-CB 3.25Å; D1687-T1689 PolarHBondContact OD1-N 3.06Å; D1687-T1689 PolarHBondContact OD1-OG1 3.08Å; D1687-T1689 WeakPolarHBondContact OD2-CB 3.5Å; D1687-T1689 PolarHBondContact OD2-N 3.36Å; D1687-T1689 PolarHBondContact OD2-OG1 3.09Å; T1689-N1691 PolarHBondContact O-N 3.09Å; T1689-N1691 PolarHBondContact O-ND2 3.14Å; T1689-N1691 VanDerWaalsContact O-ND2 3.12Å; T1689-Y1711 WeakPolarHBondContact OG1-CB 3.28Å; T1689-G1713 CarbonylContact C-O 3.34Å; T1689-G1713 VanDerWaalsContact CA-O 3.3Å; T1689-G1713 WeakPolarHBondContact CA-O 3.4Å; T1689-Q1714 HydrophobicContact CG2-CB 4.49Å; T1689-W2125 HydrophobicContact CG2-CZ3 4Å | ||
| 1690 | N | 96.2 | Very high | 93.7 | Very high | 66.2 Ų | 66.2 | 29.6 Ų | 29.6 | 35% | 0.354 | 16% | 0.155 | S | C | . | . | S | Bend | trans | 52.4 | 59 | 177.7 | -165.9 | 25.4 | 0 | 0 | 0 | 112.4 | D1666 N1667 G1713 Q1714 | D1666-N1690 VanDerWaalsContact CA-O 3.25Å; D1666-N1690 WeakPolarHBondContact CA-O 3.32Å; D1666-N1690 PolarHBondContact N-O 3.16Å; D1666-N1690 WeakPolarHBondContact OD1-CB 3.25Å; D1666-N1690 PolarHBondContact OD1-ND2 3.11Å; N1667-N1690 PolarHBondContact N-O 3.06Å; N1690-G1713 PolarHBondContact N-O 3.22Å; N1690-Q1714 VanDerWaalsContact CA-O 3.31Å; N1690-Q1714 WeakPolarHBondContact CA-O 3.24Å; N1690-Q1714 HydrophobicContact CB-CB 4.24Å; N1690-Q1714 PolarHBondContact N-O 2.64Å |
| 1691 | N | 95.8 | Very high | 93.8 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 4% | 0.043 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -127.6 | -176.9 | 175.8 | -88.1 | -94.1 | 0 | 0 | 0 | 109.8 | L1664 N1667 Y1669 L1688 T1689 I1693 Q1714 N1715 | L1664-N1691 PolarHBondContact O-ND2 3.16Å; N1667-N1691 WeakPolarHBondContact CA-OD1 3.32Å; N1667-N1691 WeakPolarHBondContact CB-OD1 3.35Å; N1667-N1691 PolarHBondContact N-ND2 3.48Å; N1667-N1691 WeakPolarHBondContact O-CA 3.26Å; N1667-N1691 PolarHBondContact O-OD1 3.07Å; N1667-N1691 VanDerWaalsContact O-OD1 3.09Å; Y1669-N1691 WeakPolarHBondContact CB-OD1 3.24Å; Y1669-N1691 PolarHBondContact N-OD1 2.99Å; L1688-N1691 WeakPolarHBondContact O-CB 3.35Å; L1688-N1691 PolarHBondContact O-ND2 2.9Å; T1689-N1691 PolarHBondContact O-N 3.09Å; T1689-N1691 PolarHBondContact O-ND2 3.14Å; T1689-N1691 VanDerWaalsContact O-ND2 3.12Å; N1691-I1693 HydrophobicContact CB-CD1 4.49Å; N1691-I1693 HydrophobicContact CB-CG1 4.3Å; N1691-Q1714 PolarHBondContact N-O 2.79Å; N1691-N1715 WeakPolarHBondContact CA-OD1 3.29Å; N1691-N1715 VanDerWaalsContact CB-OD1 3.26Å; N1691-N1715 WeakPolarHBondContact CB-OD1 3.39Å; N1691-N1715 PolarHBondContact N-ND2 3.13Å; N1691-N1715 WeakPolarHBondContact O-CA 3.21Å; N1691-N1715 PolarHBondContact O-OD1 3.05Å; N1691-N1715 VanDerWaalsContact O-OD1 3.12Å |
| 1692 | Q | 95.7 | Very high | 93.6 | Very high | 52.4 Ų | 52.4 | 24.9 Ų | 24.9 | 25% | 0.245 | 14% | 0.136 | C | C | . | . | trans | -104.2 | 18.8 | -175 | -56.3 | -160.8 | 49.2 | 0 | 0 | 113.3 | N1668 Y1669 T1670 T1694 N1715 R1716 | N1668-Q1692 PolarHBondContact OD1-NE2 3.01Å; Y1669-Q1692 CarbonylContact O-C 3.21Å; Y1669-Q1692 VanDerWaalsContact O-C 3.25Å; Y1669-Q1692 WeakPolarHBondContact O-CA 3.33Å; Y1669-Q1692 PolarHBondContact O-N 3.02Å; T1670-Q1692 HydrophobicContact CG2-CB 3.92Å; Q1692-T1694 PolarHBondContact O-N 3.1Å; Q1692-N1715 PolarHBondContact N-OD1 2.65Å; Q1692-R1716 VanDerWaalsContact OE1-CZ 3.28Å; Q1692-R1716 VanDerWaalsContact OE1-NH2 3.11Å | ||
| 1693 | I | 96.2 | Very high | 93 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -64.3 | 125.5 | -174.7 | -54.3 | 170.7 | 0 | 0 | 0 | 109.9 | Y1669 T1670 L1672 L1688 N1691 K1695 L1712 N1715 R1716 I1717 | Y1669-I1693 HydrophobicContact CD1-CD1 4.05Å; Y1669-I1693 HydrophobicContact CD1-CG1 4.07Å; Y1669-I1693 WeakPolarHBondContact O-CG1 3.3Å; Y1669-I1693 PolarHBondContact O-N 3.05Å; Y1669-I1693 VanDerWaalsContact O-N 3.15Å; T1670-I1693 WeakPolarHBondContact O-CA 3.28Å; L1672-I1693 HydrophobicContact CB-CG2 4.38Å; L1688-I1693 HydrophobicContact CB-CD1 4.04Å; L1688-I1693 HydrophobicContact CD1-CD1 4.13Å; L1688-I1693 HydrophobicContact CD2-CD1 4.46Å; L1688-I1693 HydrophobicContact CG-CD1 4.44Å; N1691-I1693 HydrophobicContact CB-CD1 4.49Å; N1691-I1693 HydrophobicContact CB-CG1 4.3Å; I1693-K1695 WeakPolarHBondContact CG2-O 3.3Å; I1693-L1712 HydrophobicContact CD1-CD2 3.82Å; I1693-N1715 HydrophobicContact CB-CB 4.38Å; I1693-N1715 VanDerWaalsContact CB-OD1 3.26Å; I1693-N1715 WeakPolarHBondContact CB-OD1 3.31Å; I1693-N1715 VanDerWaalsContact CG1-OD1 3.28Å; I1693-N1715 WeakPolarHBondContact CG1-OD1 3.24Å; I1693-N1715 PolarHBondContact N-OD1 3.24Å; I1693-R1716 CarbonylContact O-C 3.4Å; I1693-R1716 WeakPolarHBondContact O-CA 3.34Å; I1693-R1716 PolarHBondContact O-N 2.95Å; I1693-I1717 HydrophobicContact CB-CG1 4.38Å; I1693-I1717 HydrophobicContact CG2-CD1 4.46Å; I1693-I1717 HydrophobicContact CG2-CG1 4.16Å; I1693-I1717 WeakPolarHBondContact O-CG1 3.44Å; I1693-I1717 PolarHBondContact O-N 3.06Å; I1693-I1717 VanDerWaalsContact O-N 3.13Å | ||
| 1694 | T | 95.1 | Very high | 92.8 | Very high | 71.2 Ų | 71.2 | 26.7 Ų | 26.7 | 44% | 0.437 | 16% | 0.155 | S | C | . | . | trans | -99.5 | -20.2 | -178.4 | 51.5 | 0 | 0 | 0 | 0 | 114.1 | Q1692 R1716 I1717 S1718 | Q1692-T1694 PolarHBondContact O-N 3.1Å; T1694-R1716 HydrophobicContact CG2-CB 4.14Å; T1694-I1717 WeakPolarHBondContact O-CA 3.29Å; T1694-S1718 PolarHBondContact O-N 3Å; T1694-S1718 VanDerWaalsContact O-N 3.13Å | ||
| 1695 | K | 95.1 | Very high | 92.5 | Very high | 67.4 Ų | 67.4 | 28.2 Ų | 28.2 | 29% | 0.293 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 145.7 | -171.3 | 177.5 | 168.1 | 174.7 | 169 | 0 | 111.6 | I1693 Q1719 E1721 | I1693-K1695 WeakPolarHBondContact CG2-O 3.3Å; K1695-Q1719 VanDerWaalsContact CA-O 3.3Å; K1695-Q1719 WeakPolarHBondContact CA-O 3.3Å; K1695-Q1719 HydrophobicContact CD-CB 4.35Å; K1695-Q1719 VanDerWaalsContact CE-OE1 3.25Å; K1695-Q1719 HydrophobicContact CG-CB 4.28Å; K1695-E1721 VanDerWaalsContact CE-CD 3.41Å; K1695-E1721 WeakPolarHBondContact CE-OE1 3.41Å; K1695-E1721 IonicContact NZ-OE1 3.21Å; K1695-E1721 PolarHBondContact NZ-OE1 3.02Å |
| 1696 | I | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 116 | 167 | -48.5 | -178.6 | 0 | 0 | 0 | 108.3 | L1672 A1700 F1701 L1712 I1717 Q1719 I1720 E1721 A1724 F1725 L1735 | L1672-I1696 HydrophobicContact CD2-CG2 4.37Å; I1696-A1700 HydrophobicContact CG2-CB 3.73Å; I1696-F1701 HydrophobicContact CG2-CD2 4.36Å; I1696-F1701 HydrophobicContact CG2-CE2 3.64Å; I1696-F1701 HydrophobicContact CG2-CZ 4.3Å; I1696-L1712 HydrophobicContact CD1-CD1 3.68Å; I1696-L1712 HydrophobicContact CG1-CD1 4.27Å; I1696-I1717 HydrophobicContact CD1-CD1 4.35Å; I1696-I1717 HydrophobicContact CG1-CD1 4.22Å; I1696-I1717 HydrophobicContact CG1-CG2 4.25Å; I1696-Q1719 PolarHBondContact N-O 3.06Å; I1696-Q1719 VanDerWaalsContact N-O 3.09Å; I1696-I1720 HydrophobicContact CB-CG1 4.33Å; I1696-I1720 HydrophobicContact CB-CG2 4.37Å; I1696-I1720 HydrophobicContact CD1-CD1 4.11Å; I1696-I1720 HydrophobicContact CD1-CG1 3.95Å; I1696-I1720 HydrophobicContact CD1-CG2 4.45Å; I1696-I1720 HydrophobicContact CG1-CG1 4.27Å; I1696-E1721 PolarHBondContact O-N 3.11Å; I1696-A1724 HydrophobicContact CG2-CB 3.82Å; I1696-F1725 HydrophobicContact CD1-CE1 4.5Å; I1696-F1725 HydrophobicContact CD1-CZ 3.92Å; I1696-L1735 HydrophobicContact CD1-CD2 4.44Å |
| 1697 | P | 95 | Very high | 92.3 | Very high | 18.2 Ų | 18.2 | 31.3 Ų | 31.3 | 12% | 0.118 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -81.7 | 167.3 | 179.4 | 34.9 | -38.4 | 0 | 0 | 0 | 113.3 | L1672 D1699 A1700 E1721 A1724 | L1672-P1697 WeakPolarHBondContact O-CD 3.31Å; L1672-P1697 VanDerWaalsContact O-CG 3.28Å; L1672-P1697 WeakPolarHBondContact O-CG 3.32Å; P1697-D1699 PolarHBondContact O-N 3.35Å; P1697-A1700 HydrophobicContact CG-CB 4.06Å; P1697-A1700 VanDerWaalsContact O-CB 3.28Å; P1697-A1700 WeakPolarHBondContact O-CB 3.37Å; P1697-A1700 PolarHBondContact O-N 3.02Å; P1697-E1721 WeakPolarHBondContact CA-OE2 3.35Å; P1697-A1724 WeakPolarHBondContact O-CA 3.39Å; P1697-A1724 WeakPolarHBondContact O-CB 3.26Å |
| 1698 | T | 93.3 | Very high | 92.1 | Very high | 48.6 Ų | 48.6 | 31.5 Ų | 31.5 | 30% | 0.298 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 137.9 | 167.3 | -51.9 | 0 | 0 | 0 | 0 | 110.4 | S1674 A1700 E1721 P1722 N1723 | S1674-T1698 VanDerWaalsContact CB-O 3.24Å; S1674-T1698 WeakPolarHBondContact CB-O 3.38Å; S1674-T1698 PolarHBondContact OG-O 3.21Å; T1698-A1700 PolarHBondContact O-N 3.12Å; T1698-A1700 VanDerWaalsContact O-N 3.12Å; T1698-E1721 WeakPolarHBondContact CB-OE2 3.26Å; T1698-E1721 PolarHBondContact N-OE2 3.07Å; T1698-E1721 PolarHBondContact OG1-OE2 3.07Å; T1698-P1722 PolarHBondContact OG1-O 3.03Å; T1698-N1723 HydrophobicContact CG2-CB 4.18Å |
| 1699 | D | 91.1 | Very high | 91.8 | Very high | 49.6 Ų | 49.6 | 33.2 Ų | 33.2 | 27% | 0.265 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 24.3 | -178.4 | -64.9 | -59.8 | 0 | 0 | 0 | 116.1 | H1675 P1697 F1701 S1702 N1723 | H1675-D1699 VanDerWaalsContact CE1-CB 3.44Å; H1675-D1699 WeakPolarHBondContact CE1-CB 3.34Å; H1675-D1699 IonicContact CE1-OD2 2.65Å; H1675-D1699 PolarHBondContact N-O 2.89Å; H1675-D1699 VanDerWaalsContact N-O 3.13Å; H1675-D1699 PolarHBondContact ND1-O 3.29Å; H1675-D1699 VanDerWaalsContact ND1-O 3.16Å; P1697-D1699 PolarHBondContact O-N 3.35Å; D1699-F1701 VanDerWaalsContact C-N 3.28Å; D1699-F1701 PolarHBondContact O-N 3.11Å; D1699-S1702 WeakPolarHBondContact O-CB 3.38Å; D1699-S1702 PolarHBondContact O-N 3.12Å; D1699-S1702 WeakPolarHBondContact OD1-CB 3.3Å; D1699-S1702 PolarHBondContact OD1-OG 3.13Å; D1699-N1723 PolarHBondContact N-O 2.95Å |
| 1700 | A | 91.8 | Very high | 91.9 | Very high | 0.8 Ų | 0.8 | 32.1 Ų | 32.1 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -45.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1672 I1696 P1697 T1698 | L1672-A1700 HydrophobicContact CD2-CB 3.89Å; L1672-A1700 HydrophobicContact CG-CB 4.36Å; I1696-A1700 HydrophobicContact CG2-CB 3.73Å; P1697-A1700 HydrophobicContact CG-CB 4.06Å; P1697-A1700 VanDerWaalsContact O-CB 3.28Å; P1697-A1700 WeakPolarHBondContact O-CB 3.37Å; P1697-A1700 PolarHBondContact O-N 3.02Å; T1698-A1700 PolarHBondContact O-N 3.12Å; T1698-A1700 VanDerWaalsContact O-N 3.12Å |
| 1701 | F | 90.7 | Very high | 91.8 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | 14.7 | -173.8 | -53.2 | -68.9 | 0 | 0 | 0 | 113.4 | L1672 F1677 L1686 I1696 D1699 G1703 M1704 L1707 L1710 L1712 A1724 F1725 | L1672-F1701 HydrophobicContact CD2-CE1 3.94Å; L1672-F1701 HydrophobicContact CD2-CE2 4.17Å; L1672-F1701 HydrophobicContact CD2-CZ 3.5Å; L1672-F1701 VanDerWaalsContact CD2-CZ 3.5Å; F1677-F1701 HydrophobicContact CD2-CE1 4.4Å; L1686-F1701 HydrophobicContact CD2-CD1 4.42Å; L1686-F1701 HydrophobicContact CD2-CE1 4.05Å; I1696-F1701 HydrophobicContact CG2-CD2 4.36Å; I1696-F1701 HydrophobicContact CG2-CE2 3.64Å; I1696-F1701 HydrophobicContact CG2-CZ 4.3Å; D1699-F1701 VanDerWaalsContact C-N 3.28Å; D1699-F1701 PolarHBondContact O-N 3.11Å; F1701-G1703 PolarHBondContact O-N 3.01Å; F1701-M1704 VanDerWaalsContact CA-CE 3.48Å; F1701-M1704 HydrophobicContact CB-CE 3.87Å; F1701-M1704 HydrophobicContact CB-SD 4.16Å; F1701-M1704 HydrophobicContact CD1-CE 3.74Å; F1701-M1704 HydrophobicContact CD1-SD 4.01Å; F1701-M1704 HydrophobicContact CG-CE 4.3Å; F1701-M1704 PolarHBondContact O-N 2.98Å; F1701-L1707 HydrophobicContact CB-CD2 4.09Å; F1701-L1707 HydrophobicContact CD1-CD2 4.24Å; F1701-L1710 HydrophobicContact CD1-CD1 4.42Å; F1701-L1710 HydrophobicContact CD1-CD2 4.28Å; F1701-L1710 HydrophobicContact CD2-CD2 3.97Å; F1701-L1710 HydrophobicContact CE1-CD1 3.93Å; F1701-L1710 HydrophobicContact CE1-CD2 3.92Å; F1701-L1710 HydrophobicContact CE1-CG 4.41Å; F1701-L1710 HydrophobicContact CE2-CD1 4.44Å; F1701-L1710 HydrophobicContact CE2-CD2 3.57Å; F1701-L1710 HydrophobicContact CG-CD2 4.3Å; F1701-L1710 HydrophobicContact CZ-CD1 4.05Å; F1701-L1710 HydrophobicContact CZ-CD2 3.55Å; F1701-L1710 VanDerWaalsContact CZ-CD2 3.46Å; F1701-L1710 HydrophobicContact CZ-CG 4.42Å; F1701-L1712 HydrophobicContact CE2-CD1 4.25Å; F1701-L1712 HydrophobicContact CZ-CD1 4.23Å; F1701-A1724 PolarHBondContact N-O 3.15Å; F1701-A1724 VanDerWaalsContact N-O 3.12Å; F1701-F1725 HydrophobicContact CB-CD1 4.28Å; F1701-F1725 AromaticContact CD2-CD1 3.75Å; F1701-F1725 HydrophobicContact CD2-CD1 3.75Å; F1701-F1725 AromaticContact CD2-CE1 3.65Å; F1701-F1725 HydrophobicContact CD2-CE1 3.65Å; F1701-F1725 HydrophobicContact CE2-CD1 4.05Å; F1701-F1725 AromaticContact CE2-CE1 3.63Å; F1701-F1725 HydrophobicContact CE2-CE1 3.72Å; F1701-F1725 HydrophobicContact CE2-CZ 4.38Å; F1701-F1725 HydrophobicContact CG-CD1 4.5Å; F1701-F1725 HydrophobicContact CG-CE1 4.49Å |
| 1702 | S | 84.8 | Confident | 91.9 | Very high | 26.6 Ų | 26.6 | 30.7 Ų | 30.7 | 19% | 0.186 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 136.2 | -178 | -170 | 0 | 0 | 0 | 0 | 111.9 | S1678 D1699 M1704 V1726 | S1678-S1702 VanDerWaalsContact CA-O 3.32Å; S1678-S1702 WeakPolarHBondContact CA-O 3.41Å; S1678-S1702 VanDerWaalsContact CB-O 3.25Å; S1678-S1702 WeakPolarHBondContact CB-O 3.34Å; D1699-S1702 WeakPolarHBondContact O-CB 3.38Å; D1699-S1702 PolarHBondContact O-N 3.12Å; D1699-S1702 WeakPolarHBondContact OD1-CB 3.3Å; D1699-S1702 PolarHBondContact OD1-OG 3.13Å; S1702-M1704 VanDerWaalsContact C-N 3.31Å; S1702-M1704 PolarHBondContact O-N 3.11Å; S1702-V1726 VanDerWaalsContact CA-O 3.29Å; S1702-V1726 WeakPolarHBondContact CA-O 3.34Å |
| 1703 | G | 77.8 | Confident | 91.8 | Very high | 44.8 Ų | 44.8 | 28.3 Ų | 28.3 | 46% | 0.462 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | -16.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | F1701 S1705 V1726 | F1701-G1703 PolarHBondContact O-N 3.01Å; G1703-S1705 VanDerWaalsContact C-N 3.29Å; G1703-S1705 PolarHBondContact O-N 2.87Å; G1703-V1726 PolarHBondContact N-O 2.79Å |
| 1704 | M | 89.2 | Confident | 91.7 | Very high | 5.8 Ų | 5.8 | 31.1 Ų | 31.1 | 3% | 0.029 | 18% | 0.18 | C | C | . | . | trans | -80.1 | 73.3 | -178.3 | -65 | -173.7 | -67.1 | 0 | 0 | 112.1 | F1677 L1680 L1683 L1686 F1701 S1702 K1706 L1707 S1729 | F1677-M1704 HydrophobicContact CB-CE 3.83Å; F1677-M1704 HydrophobicContact CB-CG 4.48Å; F1677-M1704 HydrophobicContact CB-SD 3.64Å; F1677-M1704 WeakPolarHBondContact CB-SD 3.23Å; F1677-M1704 HydrophobicContact CG-SD 4.42Å; F1677-M1704 WeakPolarHBondContact O-CG 3.26Å; L1680-M1704 HydrophobicContact CB-CG 4.36Å; L1680-M1704 HydrophobicContact CB-SD 4.49Å; L1683-M1704 HydrophobicContact CB-CE 4.2Å; L1683-M1704 HydrophobicContact CB-CG 4.48Å; L1683-M1704 HydrophobicContact CB-SD 4.3Å; L1683-M1704 HydrophobicContact CD2-CE 3.64Å; L1683-M1704 HydrophobicContact CD2-SD 3.57Å; L1683-M1704 VanDerWaalsContact CD2-SD 3.53Å; L1683-M1704 WeakPolarHBondContact CD2-SD 3.02Å; L1683-M1704 HydrophobicContact CG-SD 4.46Å; L1686-M1704 HydrophobicContact CD2-CE 4.43Å; F1701-M1704 VanDerWaalsContact CA-CE 3.48Å; F1701-M1704 HydrophobicContact CB-CE 3.87Å; F1701-M1704 HydrophobicContact CB-SD 4.16Å; F1701-M1704 HydrophobicContact CD1-CE 3.74Å; F1701-M1704 HydrophobicContact CD1-SD 4.01Å; F1701-M1704 HydrophobicContact CG-CE 4.3Å; F1701-M1704 PolarHBondContact O-N 2.98Å; S1702-M1704 VanDerWaalsContact C-N 3.31Å; S1702-M1704 PolarHBondContact O-N 3.11Å; M1704-K1706 VanDerWaalsContact C-N 3.27Å; M1704-K1706 PolarHBondContact O-N 2.93Å; M1704-K1706 VanDerWaalsContact O-N 3.15Å; M1704-L1707 HydrophobicContact CB-CB 3.93Å; M1704-L1707 HydrophobicContact CB-CD2 4.29Å; M1704-L1707 HydrophobicContact CE-CD2 3.91Å; M1704-L1707 VanDerWaalsContact O-CB 3.31Å; M1704-L1707 WeakPolarHBondContact O-CB 3.39Å; M1704-L1707 PolarHBondContact O-N 3.25Å; M1704-L1707 VanDerWaalsContact O-N 3.11Å; M1704-L1707 HydrophobicContact SD-CD2 4.24Å; M1704-S1729 PolarHBondContact O-OG 2.88Å | ||
| 1705 | S | 85.4 | Confident | 91.8 | Very high | 73 Ų | 73 | 28.1 Ų | 28.1 | 51% | 0.51 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -13.7 | -168 | 68.9 | 0 | 0 | 0 | 0 | 116.7 | E1681 G1703 S1729 | E1681-S1705 PolarHBondContact O-OG 3.2Å; G1703-S1705 VanDerWaalsContact C-N 3.29Å; G1703-S1705 PolarHBondContact O-N 2.87Å; S1705-S1729 VanDerWaalsContact C-OG 3.24Å; S1705-S1729 WeakPolarHBondContact O-CB 3.38Å; S1705-S1729 PolarHBondContact O-OG 3.09Å; S1705-S1729 VanDerWaalsContact O-OG 3.11Å |
| 1706 | K | 89.8 | Confident | 91.8 | Very high | 77.6 Ų | 77.6 | 30.8 Ų | 30.8 | 34% | 0.337 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -0.5 | 178 | -55.5 | -174 | -153.8 | 160.9 | 0 | 114.4 | T1213 P1214 L1238 E1681 S1682 L1683 E1684 M1704 A1708 S1729 | T1213-K1706 PolarHBondContact OG1-NZ 2.94Å; P1214-K1706 PolarHBondContact O-NZ 2.92Å; L1238-K1706 HydrophobicContact CD2-CD 4.34Å; L1238-K1706 HydrophobicContact CG-CD 4.24Å; E1681-K1706 WeakPolarHBondContact O-CE 3.09Å; S1682-K1706 WeakPolarHBondContact O-CB 3.33Å; S1682-K1706 PolarHBondContact OG-NZ 3.06Å; L1683-K1706 CarbonylContact O-C 3.43Å; L1683-K1706 WeakPolarHBondContact O-CB 3.11Å; E1684-K1706 WeakPolarHBondContact CA-O 3.47Å; E1684-K1706 HydrophobicContact CG-CB 4.31Å; E1684-K1706 WeakPolarHBondContact CG-O 3.35Å; M1704-K1706 VanDerWaalsContact C-N 3.27Å; M1704-K1706 PolarHBondContact O-N 2.93Å; M1704-K1706 VanDerWaalsContact O-N 3.15Å; K1706-A1708 PolarHBondContact O-N 2.99Å; K1706-S1729 VanDerWaalsContact C-OG 3.27Å; K1706-S1729 WeakPolarHBondContact CA-OG 3.29Å; K1706-S1729 PolarHBondContact N-OG 2.76Å |
| 1707 | L | 93.7 | Very high | 91.9 | Very high | 0.6 Ų | 0.6 | 30.8 Ų | 30.8 | 0% | 0.003 | 17% | 0.17 | C | C | . | . | trans | -65.1 | 100.8 | -175 | -179.4 | 65.4 | 0 | 0 | 0 | 110.8 | L1683 E1684 L1686 F1701 M1704 Q1709 L1710 S1729 L1730 | L1683-L1707 HydrophobicContact CD2-CD1 4.09Å; L1683-L1707 HydrophobicContact CG-CD1 4.1Å; L1683-L1707 WeakPolarHBondContact O-CA 3.36Å; L1683-L1707 PolarHBondContact O-N 3.07Å; E1684-L1707 WeakPolarHBondContact O-CD1 3.44Å; L1686-L1707 HydrophobicContact CB-CD1 4.02Å; F1701-L1707 HydrophobicContact CB-CD2 4.09Å; F1701-L1707 HydrophobicContact CD1-CD2 4.24Å; M1704-L1707 HydrophobicContact CB-CB 3.93Å; M1704-L1707 HydrophobicContact CB-CD2 4.29Å; M1704-L1707 HydrophobicContact CE-CD2 3.91Å; M1704-L1707 VanDerWaalsContact O-CB 3.31Å; M1704-L1707 WeakPolarHBondContact O-CB 3.39Å; M1704-L1707 PolarHBondContact O-N 3.25Å; M1704-L1707 VanDerWaalsContact O-N 3.11Å; M1704-L1707 HydrophobicContact SD-CD2 4.24Å; L1707-Q1709 WeakPolarHBondContact CD1-O 3.25Å; L1707-L1710 HydrophobicContact CD1-CB 4.46Å; L1707-S1729 WeakPolarHBondContact CA-OG 3.24Å; L1707-S1729 PolarHBondContact N-OG 3.01Å; L1707-S1729 VanDerWaalsContact N-OG 3.15Å; L1707-S1729 CarbonylContact O-C 3.37Å; L1707-S1729 VanDerWaalsContact O-C 3.27Å; L1707-S1729 PolarHBondContact O-OG 3.09Å; L1707-L1730 HydrophobicContact CD1-CD2 3.78Å; L1707-L1730 HydrophobicContact CD2-CD2 4.25Å; L1707-L1730 HydrophobicContact CD2-CG 4.44Å; L1707-L1730 HydrophobicContact CG-CD2 3.85Å; L1707-L1730 HydrophobicContact CG-CG 4.36Å; L1707-L1730 VanDerWaalsContact O-CA 3.25Å; L1707-L1730 WeakPolarHBondContact O-CA 3.31Å; L1707-L1730 WeakPolarHBondContact O-CD2 3.32Å; L1707-L1730 WeakPolarHBondContact O-CG 3.33Å; L1707-L1730 PolarHBondContact O-N 3.26Å; L1707-L1730 VanDerWaalsContact O-N 3.12Å | ||
| 1708 | A | 90.6 | Very high | 91.9 | Very high | 22.2 Ų | 22.2 | 33.3 Ų | 33.3 | 18% | 0.183 | 19% | 0.188 | C | C | . | . | trans | -94.1 | -26.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V1221 E1684 K1706 V1731 I1732 | V1221-A1708 HydrophobicContact CG1-CB 3.81Å; E1684-A1708 PolarHBondContact O-N 3.29Å; K1706-A1708 PolarHBondContact O-N 2.99Å; A1708-V1731 HydrophobicContact CB-CB 4.4Å; A1708-V1731 HydrophobicContact CB-CG2 4.29Å; A1708-V1731 WeakPolarHBondContact O-CA 3.35Å; A1708-V1731 WeakPolarHBondContact O-CB 3.32Å; A1708-V1731 PolarHBondContact O-N 3.05Å; A1708-I1732 PolarHBondContact O-N 3.25Å | ||
| 1709 | Q | 91.2 | Very high | 91.9 | Very high | 36 Ų | 36 | 35.3 Ų | 35.3 | 17% | 0.168 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 128.3 | -176 | -53.4 | -177.5 | 33.8 | 0 | 0 | 111.7 | E1684 L1685 L1686 L1707 Y1711 L1730 I1732 | E1684-Q1709 PolarHBondContact O-N 2.86Å; L1685-Q1709 CarbonylContact C-O 3.55Å; L1685-Q1709 WeakPolarHBondContact CA-O 3.33Å; L1685-Q1709 HydrophobicContact CB-CB 4.27Å; L1685-Q1709 HydrophobicContact CD1-CB 4.38Å; L1685-Q1709 VanDerWaalsContact CD1-OE1 3.23Å; L1685-Q1709 HydrophobicContact CG-CB 4.11Å; L1686-Q1709 PolarHBondContact N-O 2.99Å; L1686-Q1709 VanDerWaalsContact N-O 3.08Å; L1707-Q1709 WeakPolarHBondContact CD1-O 3.25Å; Q1709-Y1711 HydrophobicContact CB-CD2 4.17Å; Q1709-Y1711 HydrophobicContact CB-CE2 3.82Å; Q1709-Y1711 HydrophobicContact CG-CE2 4.5Å; Q1709-Y1711 PolarHBondContact OE1-OH 2.93Å; Q1709-L1730 VanDerWaalsContact C-CD2 3.48Å; Q1709-I1732 HydrophobicContact CB-CB 4.16Å; Q1709-I1732 HydrophobicContact CG-CB 4.29Å; Q1709-I1732 HydrophobicContact CG-CD1 4.19Å; Q1709-I1732 HydrophobicContact CG-CG1 4.38Å |
| 1710 | L | 95.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 120.6 | 176 | 173.4 | 61.6 | 0 | 0 | 0 | 110.5 | L1686 F1701 L1707 L1712 F1725 L1730 I1732 L1733 M1734 | L1686-L1710 HydrophobicContact CB-CD1 4.15Å; L1686-L1710 HydrophobicContact CD2-CD1 4.1Å; L1686-L1710 HydrophobicContact CG-CD1 4.12Å; L1686-L1710 WeakPolarHBondContact O-CA 3.35Å; F1701-L1710 HydrophobicContact CD1-CD1 4.42Å; F1701-L1710 HydrophobicContact CD1-CD2 4.28Å; F1701-L1710 HydrophobicContact CD2-CD2 3.97Å; F1701-L1710 HydrophobicContact CE1-CD1 3.93Å; F1701-L1710 HydrophobicContact CE1-CD2 3.92Å; F1701-L1710 HydrophobicContact CE1-CG 4.41Å; F1701-L1710 HydrophobicContact CE2-CD1 4.44Å; F1701-L1710 HydrophobicContact CE2-CD2 3.57Å; F1701-L1710 HydrophobicContact CG-CD2 4.3Å; F1701-L1710 HydrophobicContact CZ-CD1 4.05Å; F1701-L1710 HydrophobicContact CZ-CD2 3.55Å; F1701-L1710 VanDerWaalsContact CZ-CD2 3.46Å; F1701-L1710 HydrophobicContact CZ-CG 4.42Å; L1707-L1710 HydrophobicContact CD1-CB 4.46Å; L1710-L1712 HydrophobicContact CD1-CD1 4.11Å; L1710-L1712 HydrophobicContact CD1-CG 4Å; L1710-L1712 HydrophobicContact CD2-CD1 3.81Å; L1710-L1712 HydrophobicContact CG-CD1 3.86Å; L1710-L1712 HydrophobicContact CG-CG 4.09Å; L1710-F1725 HydrophobicContact CD2-CD1 4.46Å; L1710-F1725 HydrophobicContact CD2-CE1 3.97Å; L1710-L1730 HydrophobicContact CB-CD1 4.03Å; L1710-L1730 HydrophobicContact CB-CD2 3.54Å; L1710-L1730 VanDerWaalsContact CB-CD2 3.5Å; L1710-L1730 HydrophobicContact CB-CG 4.44Å; L1710-L1730 HydrophobicContact CD2-CD1 3.86Å; L1710-L1730 VanDerWaalsContact N-CD2 3.34Å; L1710-I1732 PolarHBondContact N-O 3.15Å; L1710-I1732 VanDerWaalsContact N-O 3.09Å; L1710-L1733 HydrophobicContact CB-CD1 4.29Å; L1710-L1733 HydrophobicContact CD2-CD1 3.92Å; L1710-L1733 HydrophobicContact CG-CD1 4.1Å; L1710-L1733 WeakPolarHBondContact O-CA 3.39Å; L1710-M1734 PolarHBondContact O-N 3.08Å |
| 1711 | Y | 94.9 | Very high | 92.2 | Very high | 43.8 Ų | 43.8 | 35.4 Ų | 35.4 | 17% | 0.172 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 119.3 | 179.8 | -61.9 | -96.6 | 0 | 0 | 0 | 110.2 | K1245 L1685 L1686 D1687 L1688 T1689 Q1709 I1732 M1734 | K1245-Y1711 HydrophobicContact CB-CD1 3.42Å; K1245-Y1711 VanDerWaalsContact CB-CD1 3.42Å; K1245-Y1711 HydrophobicContact CB-CE1 3.59Å; K1245-Y1711 HydrophobicContact CB-CG 4.27Å; K1245-Y1711 HydrophobicContact CD-CD1 3.84Å; K1245-Y1711 HydrophobicContact CD-CG 4.46Å; K1245-Y1711 HydrophobicContact CG-CD1 3.64Å; K1245-Y1711 HydrophobicContact CG-CE1 4.32Å; K1245-Y1711 HydrophobicContact CG-CG 4.13Å; K1245-Y1711 VanDerWaalsContact NZ-C 3.25Å; K1245-Y1711 PolarHBondContact NZ-O 2.94Å; K1245-Y1711 WeakPolarHBondContact O-CE1 3.4Å; L1685-Y1711 HydrophobicContact CD1-CD2 3.84Å; L1685-Y1711 HydrophobicContact CD1-CE2 3.86Å; L1685-Y1711 HydrophobicContact CD2-CD2 3.36Å; L1685-Y1711 HydrophobicContact CD2-CE2 3.8Å; L1685-Y1711 HydrophobicContact CD2-CG 4.34Å; L1685-Y1711 HydrophobicContact CG-CD2 4.13Å; L1685-Y1711 VanDerWaalsContact CG-CD2 3.48Å; L1685-Y1711 HydrophobicContact CG-CE2 4.04Å; L1685-Y1711 VanDerWaalsContact CG-CE2 3.41Å; L1686-Y1711 PolarHBondContact O-N 3.05Å; D1687-Y1711 HydrophobicContact CB-CD2 4.5Å; D1687-Y1711 VanDerWaalsContact OD1-CB 3.3Å; D1687-Y1711 WeakPolarHBondContact OD1-CB 3.41Å; L1688-Y1711 CarbonylContact C-O 3.44Å; L1688-Y1711 WeakPolarHBondContact CA-O 3.22Å; L1688-Y1711 PolarHBondContact N-O 3.09Å; T1689-Y1711 WeakPolarHBondContact OG1-CB 3.28Å; Q1709-Y1711 HydrophobicContact CB-CD2 4.17Å; Q1709-Y1711 HydrophobicContact CB-CE2 3.82Å; Q1709-Y1711 HydrophobicContact CG-CE2 4.5Å; Q1709-Y1711 PolarHBondContact OE1-OH 2.93Å; Y1711-I1732 HydrophobicContact CE1-CG2 4.37Å; Y1711-M1734 HydrophobicContact CD1-CB 3.77Å; Y1711-M1734 HydrophobicContact CD1-CG 3.56Å; Y1711-M1734 HydrophobicContact CE1-CB 4.38Å; Y1711-M1734 HydrophobicContact CE1-CE 4.27Å; Y1711-M1734 HydrophobicContact CE1-CG 3.64Å; Y1711-M1734 HydrophobicContact CG-CB 4.42Å; Y1711-M1734 HydrophobicContact CG-CG 4.38Å |
| 1712 | L | 96.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -134 | 21.3 | -176.5 | -75.4 | 166.9 | 0 | 0 | 0 | 111.2 | L1688 I1693 I1696 F1701 L1710 N1715 I1717 M1734 L1735 N1738 | L1688-L1712 HydrophobicContact CB-CD2 3.84Å; L1688-L1712 HydrophobicContact CD1-CD2 3.95Å; L1688-L1712 HydrophobicContact CG-CD2 4.49Å; I1693-L1712 HydrophobicContact CD1-CD2 3.82Å; I1696-L1712 HydrophobicContact CD1-CD1 3.68Å; I1696-L1712 HydrophobicContact CG1-CD1 4.27Å; F1701-L1712 HydrophobicContact CE2-CD1 4.25Å; F1701-L1712 HydrophobicContact CZ-CD1 4.23Å; L1710-L1712 HydrophobicContact CD1-CD1 4.11Å; L1710-L1712 HydrophobicContact CD1-CG 4Å; L1710-L1712 HydrophobicContact CD2-CD1 3.81Å; L1710-L1712 HydrophobicContact CG-CD1 3.86Å; L1710-L1712 HydrophobicContact CG-CG 4.09Å; L1712-N1715 PolarHBondContact O-ND2 3.04Å; L1712-I1717 HydrophobicContact CB-CD1 4.02Å; L1712-I1717 HydrophobicContact CD1-CD1 4.35Å; L1712-I1717 HydrophobicContact CD2-CD1 4.27Å; L1712-I1717 HydrophobicContact CG-CD1 4.47Å; L1712-M1734 CarbonylContact C-O 3.32Å; L1712-M1734 WeakPolarHBondContact CA-O 3.38Å; L1712-M1734 PolarHBondContact N-O 3.08Å; L1712-L1735 HydrophobicContact CB-CD2 3.64Å; L1712-L1735 HydrophobicContact CB-CG 4.48Å; L1712-L1735 HydrophobicContact CD1-CD2 4.03Å; L1712-L1735 HydrophobicContact CG-CD2 4.49Å; L1712-N1738 PolarHBondContact O-ND2 3.06Å | ||
| 1713 | G | 93.3 | Very high | 92.5 | Very high | 2.4 Ų | 2.4 | 38.9 Ų | 38.9 | 3% | 0.025 | 21% | 0.213 | C | C | . | . | trans | -66 | 158.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K1245 T1689 N1690 N1715 M1734 P1736 | K1245-G1713 VanDerWaalsContact CE-O 3.3Å; K1245-G1713 WeakPolarHBondContact CE-O 3.18Å; K1245-G1713 PolarHBondContact NZ-O 2.68Å; T1689-G1713 CarbonylContact C-O 3.34Å; T1689-G1713 VanDerWaalsContact CA-O 3.3Å; T1689-G1713 WeakPolarHBondContact CA-O 3.4Å; N1690-G1713 PolarHBondContact N-O 3.22Å; G1713-N1715 VanDerWaalsContact C-N 3.28Å; G1713-N1715 PolarHBondContact O-N 3.05Å; G1713-N1715 VanDerWaalsContact O-N 3.08Å; G1713-N1715 PolarHBondContact O-ND2 3.1Å; G1713-M1734 PolarHBondContact N-O 2.97Å; G1713-P1736 CarbonylContact C-O 3.46Å; G1713-P1736 WeakPolarHBondContact CA-O 3.25Å | ||
| 1714 | Q | 95.3 | Very high | 93.3 | Very high | 57.6 Ų | 57.6 | 36.8 Ų | 36.8 | 27% | 0.269 | 19% | 0.191 | S | C | . | . | S | Bend | trans | 53.8 | 45.7 | 178.8 | -63.6 | 176.1 | -7.4 | 0 | 0 | 113 | T1689 N1690 N1691 P1736 M1737 | T1689-Q1714 HydrophobicContact CG2-CB 4.49Å; N1690-Q1714 VanDerWaalsContact CA-O 3.31Å; N1690-Q1714 WeakPolarHBondContact CA-O 3.24Å; N1690-Q1714 HydrophobicContact CB-CB 4.24Å; N1690-Q1714 PolarHBondContact N-O 2.64Å; N1691-Q1714 PolarHBondContact N-O 2.79Å; Q1714-P1736 PolarHBondContact N-O 3.07Å; Q1714-M1737 CarbonylContact C-O 3.15Å; Q1714-M1737 VanDerWaalsContact CA-O 3.26Å; Q1714-M1737 WeakPolarHBondContact CA-O 3.29Å; Q1714-M1737 HydrophobicContact CB-CB 4.46Å; Q1714-M1737 HydrophobicContact CG-CB 3.9Å; Q1714-M1737 HydrophobicContact CG-CE 4.15Å; Q1714-M1737 HydrophobicContact CG-CG 4.35Å; Q1714-M1737 HydrophobicContact CG-SD 3.66Å; Q1714-M1737 VanDerWaalsContact CG-SD 3.59Å; Q1714-M1737 PolarHBondContact N-O 3.06Å; Q1714-M1737 PolarHBondContact NE2-SD 2.92Å |
| 1715 | N | 96.2 | Very high | 93.4 | Very high | 9.8 Ų | 9.8 | 36.6 Ų | 36.6 | 5% | 0.052 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -116.7 | -171.6 | 174.5 | -87.8 | -95.5 | 0 | 0 | 0 | 109.4 | L1688 N1691 Q1692 I1693 L1712 G1713 I1717 M1737 N1738 | L1688-N1715 PolarHBondContact O-ND2 3.24Å; N1691-N1715 WeakPolarHBondContact CA-OD1 3.29Å; N1691-N1715 VanDerWaalsContact CB-OD1 3.26Å; N1691-N1715 WeakPolarHBondContact CB-OD1 3.39Å; N1691-N1715 PolarHBondContact N-ND2 3.13Å; N1691-N1715 WeakPolarHBondContact O-CA 3.21Å; N1691-N1715 PolarHBondContact O-OD1 3.05Å; N1691-N1715 VanDerWaalsContact O-OD1 3.12Å; Q1692-N1715 PolarHBondContact N-OD1 2.65Å; I1693-N1715 HydrophobicContact CB-CB 4.38Å; I1693-N1715 VanDerWaalsContact CB-OD1 3.26Å; I1693-N1715 WeakPolarHBondContact CB-OD1 3.31Å; I1693-N1715 VanDerWaalsContact CG1-OD1 3.28Å; I1693-N1715 WeakPolarHBondContact CG1-OD1 3.24Å; I1693-N1715 PolarHBondContact N-OD1 3.24Å; L1712-N1715 PolarHBondContact O-ND2 3.04Å; G1713-N1715 VanDerWaalsContact C-N 3.28Å; G1713-N1715 PolarHBondContact O-N 3.05Å; G1713-N1715 VanDerWaalsContact O-N 3.08Å; G1713-N1715 PolarHBondContact O-ND2 3.1Å; N1715-I1717 HydrophobicContact CB-CD1 4.16Å; N1715-I1717 HydrophobicContact CB-CG1 4.01Å; N1715-M1737 PolarHBondContact N-O 2.9Å; N1715-N1738 WeakPolarHBondContact CA-OD1 3.39Å; N1715-N1738 WeakPolarHBondContact CB-OD1 3.35Å; N1715-N1738 PolarHBondContact N-OD1 3.24Å; N1715-N1738 PolarHBondContact O-OD1 3.12Å |
| 1716 | R | 96.2 | Very high | 93.5 | Very high | 124 Ų | 124 | 34.9 Ų | 34.9 | 47% | 0.468 | 18% | 0.176 | S | C | . | . | trans | -108.3 | 21.6 | 179.7 | -60.2 | -175.5 | -173.2 | 138.9 | 7.7 | 112.3 | Q1692 I1693 T1694 S1718 N1739 | Q1692-R1716 VanDerWaalsContact OE1-CZ 3.28Å; Q1692-R1716 VanDerWaalsContact OE1-NH2 3.11Å; I1693-R1716 CarbonylContact O-C 3.4Å; I1693-R1716 WeakPolarHBondContact O-CA 3.34Å; I1693-R1716 PolarHBondContact O-N 2.95Å; T1694-R1716 HydrophobicContact CG2-CB 4.14Å; R1716-S1718 PolarHBondContact O-N 3.16Å; R1716-S1718 VanDerWaalsContact O-N 3.13Å; R1716-N1739 PolarHBondContact O-ND2 2.95Å | ||
| 1717 | I | 96.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -64.4 | 115.1 | -168.6 | -58.6 | 168.6 | 0 | 0 | 0 | 109.8 | I1693 T1694 I1696 L1712 N1715 I1720 L1735 N1738 N1739 L1740 | I1693-I1717 HydrophobicContact CB-CG1 4.38Å; I1693-I1717 HydrophobicContact CG2-CD1 4.46Å; I1693-I1717 HydrophobicContact CG2-CG1 4.16Å; I1693-I1717 WeakPolarHBondContact O-CG1 3.44Å; I1693-I1717 PolarHBondContact O-N 3.06Å; I1693-I1717 VanDerWaalsContact O-N 3.13Å; T1694-I1717 WeakPolarHBondContact O-CA 3.29Å; I1696-I1717 HydrophobicContact CD1-CD1 4.35Å; I1696-I1717 HydrophobicContact CG1-CD1 4.22Å; I1696-I1717 HydrophobicContact CG1-CG2 4.25Å; L1712-I1717 HydrophobicContact CB-CD1 4.02Å; L1712-I1717 HydrophobicContact CD1-CD1 4.35Å; L1712-I1717 HydrophobicContact CD2-CD1 4.27Å; L1712-I1717 HydrophobicContact CG-CD1 4.47Å; N1715-I1717 HydrophobicContact CB-CD1 4.16Å; N1715-I1717 HydrophobicContact CB-CG1 4.01Å; I1717-I1720 HydrophobicContact CG2-CG1 4.3Å; I1717-L1735 HydrophobicContact CD1-CD2 3.76Å; I1717-N1738 HydrophobicContact CB-CB 4.4Å; I1717-N1738 VanDerWaalsContact CB-OD1 3.27Å; I1717-N1738 WeakPolarHBondContact CB-OD1 3.28Å; I1717-N1738 WeakPolarHBondContact CG1-OD1 3.32Å; I1717-N1738 PolarHBondContact N-OD1 2.98Å; I1717-N1739 CarbonylContact O-C 3.21Å; I1717-N1739 VanDerWaalsContact O-CA 3.31Å; I1717-N1739 WeakPolarHBondContact O-CA 3.34Å; I1717-N1739 PolarHBondContact O-N 3Å; I1717-L1740 HydrophobicContact CG2-CD2 4.23Å; I1717-L1740 PolarHBondContact O-N 3.2Å; I1717-L1740 VanDerWaalsContact O-N 3.15Å | ||
| 1718 | S | 95 | Very high | 92.8 | Very high | 71 Ų | 71 | 38.3 Ų | 38.3 | 50% | 0.497 | 20% | 0.199 | S | C | . | . | trans | -112.8 | -15.2 | 176.6 | 62.1 | 0 | 0 | 0 | 0 | 113.2 | T1694 R1716 | T1694-S1718 PolarHBondContact O-N 3Å; T1694-S1718 VanDerWaalsContact O-N 3.13Å; R1716-S1718 PolarHBondContact O-N 3.16Å; R1716-S1718 VanDerWaalsContact O-N 3.13Å | ||
| 1719 | Q | 93.5 | Very high | 92.7 | Very high | 88.8 Ų | 88.8 | 38.4 Ų | 38.4 | 42% | 0.415 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 138.3 | 176 | -172.2 | 178.6 | 30.9 | 0 | 0 | 111.4 | K1695 I1696 | K1695-Q1719 VanDerWaalsContact CA-O 3.3Å; K1695-Q1719 WeakPolarHBondContact CA-O 3.3Å; K1695-Q1719 HydrophobicContact CD-CB 4.35Å; K1695-Q1719 VanDerWaalsContact CE-OE1 3.25Å; K1695-Q1719 HydrophobicContact CG-CB 4.28Å; I1696-Q1719 PolarHBondContact N-O 3.06Å; I1696-Q1719 VanDerWaalsContact N-O 3.09Å |
| 1720 | I | 95.4 | Very high | 92.8 | Very high | 5.8 Ų | 5.8 | 36.7 Ų | 36.7 | 3% | 0.03 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 129.5 | 162.4 | -58.5 | -179.4 | 0 | 0 | 0 | 105.9 | I1696 I1717 A1724 F1725 L1735 L1740 M1747 F1748 | I1696-I1720 HydrophobicContact CB-CG1 4.33Å; I1696-I1720 HydrophobicContact CB-CG2 4.37Å; I1696-I1720 HydrophobicContact CD1-CD1 4.11Å; I1696-I1720 HydrophobicContact CD1-CG1 3.95Å; I1696-I1720 HydrophobicContact CD1-CG2 4.45Å; I1696-I1720 HydrophobicContact CG1-CG1 4.27Å; I1717-I1720 HydrophobicContact CG2-CG1 4.3Å; I1720-A1724 HydrophobicContact CG2-CB 3.96Å; I1720-F1725 HydrophobicContact CD1-CE2 4.49Å; I1720-F1725 HydrophobicContact CG2-CD2 4.5Å; I1720-F1725 HydrophobicContact CG2-CE2 3.8Å; I1720-F1725 HydrophobicContact CG2-CZ 4.32Å; I1720-L1735 HydrophobicContact CD1-CD1 3.98Å; I1720-L1740 HydrophobicContact CD1-CD1 4.47Å; I1720-L1740 HydrophobicContact CD1-CD2 4.47Å; I1720-L1740 HydrophobicContact CG1-CD2 4.34Å; I1720-M1747 HydrophobicContact CB-CB 4.26Å; I1720-M1747 HydrophobicContact CB-CE 4.39Å; I1720-M1747 HydrophobicContact CB-CG 4.13Å; I1720-M1747 HydrophobicContact CD1-CG 4.08Å; I1720-M1747 HydrophobicContact CD1-SD 4.23Å; I1720-M1747 HydrophobicContact CG2-CB 4.32Å; I1720-M1747 HydrophobicContact CG2-CG 4.06Å; I1720-M1747 WeakPolarHBondContact CG2-O 3.46Å; I1720-F1748 HydrophobicContact CD1-CE1 4.4Å |
| 1721 | E | 94.2 | Very high | 92.5 | Very high | 46.8 Ų | 46.8 | 38 Ų | 38 | 22% | 0.219 | 20% | 0.198 | C | C | . | . | trans | -78 | 152.6 | 176.4 | -68.6 | -164.5 | 150.8 | 0 | 0 | 112.4 | K1695 I1696 P1697 T1698 N1723 A1724 | K1695-E1721 VanDerWaalsContact CE-CD 3.41Å; K1695-E1721 WeakPolarHBondContact CE-OE1 3.41Å; K1695-E1721 IonicContact NZ-OE1 3.21Å; K1695-E1721 PolarHBondContact NZ-OE1 3.02Å; I1696-E1721 PolarHBondContact O-N 3.11Å; P1697-E1721 WeakPolarHBondContact CA-OE2 3.35Å; T1698-E1721 WeakPolarHBondContact CB-OE2 3.26Å; T1698-E1721 PolarHBondContact N-OE2 3.07Å; T1698-E1721 PolarHBondContact OG1-OE2 3.07Å; E1721-N1723 PolarHBondContact O-N 2.93Å; E1721-A1724 VanDerWaalsContact O-CB 3.28Å; E1721-A1724 WeakPolarHBondContact O-CB 3.31Å; E1721-A1724 PolarHBondContact O-N 3.08Å | ||
| 1722 | P | 91.3 | Very high | 92.2 | Very high | 51.2 Ų | 51.2 | 36.8 Ų | 36.8 | 33% | 0.332 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 142.3 | 166.6 | -22.8 | 33.8 | 0 | 0 | 0 | 110.3 | T1698 A1724 D1746 | T1698-P1722 PolarHBondContact OG1-O 3.03Å; P1722-A1724 PolarHBondContact O-N 3.05Å; P1722-D1746 HydrophobicContact CB-CB 4.16Å; P1722-D1746 HydrophobicContact CG-CB 4.33Å; P1722-D1746 WeakPolarHBondContact CG-OD2 3.4Å |
| 1723 | N | 91.1 | Very high | 92.2 | Very high | 55.6 Ų | 55.6 | 36.8 Ų | 36.8 | 30% | 0.297 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 14.4 | -179.9 | -59.9 | -57.7 | 0 | 0 | 0 | 116.3 | T1698 D1699 E1721 F1725 V1726 Q1749 | T1698-N1723 HydrophobicContact CG2-CB 4.18Å; D1699-N1723 PolarHBondContact N-O 2.95Å; E1721-N1723 PolarHBondContact O-N 2.93Å; N1723-F1725 PolarHBondContact O-N 3.23Å; N1723-F1725 VanDerWaalsContact O-N 3.11Å; N1723-V1726 HydrophobicContact CB-CG2 3.5Å; N1723-V1726 VanDerWaalsContact CB-CG2 3.49Å; N1723-V1726 PolarHBondContact O-N 2.95Å; N1723-V1726 VanDerWaalsContact OD1-CG2 3.26Å; N1723-V1726 WeakPolarHBondContact OD1-CG2 3.28Å; N1723-Q1749 PolarHBondContact OD1-NE2 3.13Å |
| 1724 | A | 93.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -26.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I1696 P1697 F1701 I1720 E1721 P1722 | I1696-A1724 HydrophobicContact CG2-CB 3.82Å; P1697-A1724 WeakPolarHBondContact O-CA 3.39Å; P1697-A1724 WeakPolarHBondContact O-CB 3.26Å; F1701-A1724 PolarHBondContact N-O 3.15Å; F1701-A1724 VanDerWaalsContact N-O 3.12Å; I1720-A1724 HydrophobicContact CG2-CB 3.96Å; E1721-A1724 VanDerWaalsContact O-CB 3.28Å; E1721-A1724 WeakPolarHBondContact O-CB 3.31Å; E1721-A1724 PolarHBondContact O-N 3.08Å; P1722-A1724 PolarHBondContact O-N 3.05Å |
| 1725 | F | 92.4 | Very high | 92.3 | Very high | 0.8 Ų | 0.8 | 34.9 Ų | 34.9 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | 25.9 | -175.9 | -53 | -74.6 | 0 | 0 | 0 | 114.1 | I1696 F1701 L1710 I1720 N1723 N1727 S1728 L1730 L1733 M1747 Q1749 G1750 L1751 | I1696-F1725 HydrophobicContact CD1-CE1 4.5Å; I1696-F1725 HydrophobicContact CD1-CZ 3.92Å; F1701-F1725 HydrophobicContact CB-CD1 4.28Å; F1701-F1725 AromaticContact CD2-CD1 3.75Å; F1701-F1725 HydrophobicContact CD2-CD1 3.75Å; F1701-F1725 AromaticContact CD2-CE1 3.65Å; F1701-F1725 HydrophobicContact CD2-CE1 3.65Å; F1701-F1725 HydrophobicContact CE2-CD1 4.05Å; F1701-F1725 AromaticContact CE2-CE1 3.63Å; F1701-F1725 HydrophobicContact CE2-CE1 3.72Å; F1701-F1725 HydrophobicContact CE2-CZ 4.38Å; F1701-F1725 HydrophobicContact CG-CD1 4.5Å; F1701-F1725 HydrophobicContact CG-CE1 4.49Å; L1710-F1725 HydrophobicContact CD2-CD1 4.46Å; L1710-F1725 HydrophobicContact CD2-CE1 3.97Å; I1720-F1725 HydrophobicContact CD1-CE2 4.49Å; I1720-F1725 HydrophobicContact CG2-CD2 4.5Å; I1720-F1725 HydrophobicContact CG2-CE2 3.8Å; I1720-F1725 HydrophobicContact CG2-CZ 4.32Å; N1723-F1725 PolarHBondContact O-N 3.23Å; N1723-F1725 VanDerWaalsContact O-N 3.11Å; F1725-N1727 PolarHBondContact O-N 2.99Å; F1725-S1728 WeakPolarHBondContact O-CB 3.27Å; F1725-S1728 PolarHBondContact O-N 2.76Å; F1725-S1728 VanDerWaalsContact O-N 3.11Å; F1725-L1730 HydrophobicContact CD1-CD1 4.04Å; F1725-L1730 HydrophobicContact CE1-CD1 4.29Å; F1725-L1733 HydrophobicContact CE1-CD1 4.45Å; F1725-L1733 HydrophobicContact CE2-CD2 4.41Å; F1725-L1733 HydrophobicContact CZ-CD1 4.48Å; F1725-L1733 HydrophobicContact CZ-CD2 4.2Å; F1725-M1747 WeakPolarHBondContact CD2-O 3.36Å; F1725-Q1749 CarbonylContact C-O 3.41Å; F1725-G1750 CarbonylContact O-C 3.49Å; F1725-G1750 WeakPolarHBondContact O-CA 3.3Å; F1725-L1751 HydrophobicContact CB-CD1 4.29Å; F1725-L1751 HydrophobicContact CB-CD2 3.63Å; F1725-L1751 HydrophobicContact CB-CG 3.65Å; F1725-L1751 HydrophobicContact CD1-CD1 4.39Å; F1725-L1751 HydrophobicContact CD1-CD2 3.96Å; F1725-L1751 HydrophobicContact CD1-CG 4.44Å; F1725-L1751 HydrophobicContact CD2-CD1 3.71Å; F1725-L1751 HydrophobicContact CD2-CD2 4.36Å; F1725-L1751 HydrophobicContact CD2-CG 4.03Å; F1725-L1751 HydrophobicContact CE2-CD1 4.08Å; F1725-L1751 HydrophobicContact CG-CD1 3.94Å; F1725-L1751 HydrophobicContact CG-CD2 3.76Å; F1725-L1751 HydrophobicContact CG-CG 3.83Å |
| 1726 | V | 87.2 | Confident | 92.2 | Very high | 37.2 Ų | 37.2 | 35.2 Ų | 35.2 | 23% | 0.225 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 135 | 177.3 | 158.8 | 0 | 0 | 0 | 0 | 111.7 | S1702 G1703 N1723 S1728 | S1702-V1726 VanDerWaalsContact CA-O 3.29Å; S1702-V1726 WeakPolarHBondContact CA-O 3.34Å; G1703-V1726 PolarHBondContact N-O 2.79Å; N1723-V1726 HydrophobicContact CB-CG2 3.5Å; N1723-V1726 VanDerWaalsContact CB-CG2 3.49Å; N1723-V1726 PolarHBondContact O-N 2.95Å; N1723-V1726 VanDerWaalsContact OD1-CG2 3.26Å; N1723-V1726 WeakPolarHBondContact OD1-CG2 3.28Å; V1726-S1728 PolarHBondContact O-N 3.08Å; V1726-S1728 VanDerWaalsContact O-N 3.13Å |
| 1727 | N | 82.8 | Confident | 92.2 | Very high | 142 Ų | 142 | 32.5 Ų | 32.5 | 76% | 0.759 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 26.1 | -178.8 | -57.9 | -26.2 | 0 | 0 | 0 | 114.5 | F1725 | F1725-N1727 PolarHBondContact O-N 2.99Š|
| 1728 | S | 86.3 | Confident | 92.1 | Very high | 8.8 Ų | 8.8 | 32.7 Ų | 32.7 | 6% | 0.062 | 18% | 0.183 | C | C | . | . | trans | -75.2 | 142.6 | 178.7 | -175 | 0 | 0 | 0 | 0 | 112.8 | F1725 V1726 L1730 | F1725-S1728 WeakPolarHBondContact O-CB 3.27Å; F1725-S1728 PolarHBondContact O-N 2.76Å; F1725-S1728 VanDerWaalsContact O-N 3.11Å; V1726-S1728 PolarHBondContact O-N 3.08Å; V1726-S1728 VanDerWaalsContact O-N 3.13Å; S1728-L1730 PolarHBondContact O-N 2.88Å; S1728-L1730 WeakPolarHBondContact OG-CB 3.35Å; S1728-L1730 WeakPolarHBondContact OG-CD1 3.33Å; S1728-L1730 VanDerWaalsContact OG-CG 3.26Å; S1728-L1730 WeakPolarHBondContact OG-CG 3.21Å; S1728-L1730 PolarHBondContact OG-N 3.11Å | ||
| 1729 | S | 88.9 | Confident | 92.2 | Very high | 23.8 Ų | 23.8 | 33.1 Ų | 33.1 | 17% | 0.166 | 18% | 0.179 | C | C | . | . | trans | -95.8 | 10.3 | 173.5 | 52.1 | 0 | 0 | 0 | 0 | 113.7 | M1704 S1705 K1706 L1707 V1731 | M1704-S1729 PolarHBondContact O-OG 2.88Å; S1705-S1729 VanDerWaalsContact C-OG 3.24Å; S1705-S1729 WeakPolarHBondContact O-CB 3.38Å; S1705-S1729 PolarHBondContact O-OG 3.09Å; S1705-S1729 VanDerWaalsContact O-OG 3.11Å; K1706-S1729 VanDerWaalsContact C-OG 3.27Å; K1706-S1729 WeakPolarHBondContact CA-OG 3.29Å; K1706-S1729 PolarHBondContact N-OG 2.76Å; L1707-S1729 WeakPolarHBondContact CA-OG 3.24Å; L1707-S1729 PolarHBondContact N-OG 3.01Å; L1707-S1729 VanDerWaalsContact N-OG 3.15Å; L1707-S1729 CarbonylContact O-C 3.37Å; L1707-S1729 VanDerWaalsContact O-C 3.27Å; L1707-S1729 PolarHBondContact O-OG 3.09Å; S1729-V1731 PolarHBondContact O-N 2.9Å | ||
| 1730 | L | 92.5 | Very high | 92.3 | Very high | 0.2 Ų | 0.2 | 28.9 Ų | 28.9 | 0% | 0.001 | 16% | 0.159 | C | C | . | . | trans | -57.9 | 132.2 | -173.8 | -81.3 | 170.3 | 0 | 0 | 0 | 113.4 | L1707 Q1709 L1710 F1725 S1728 L1751 Y1753 L1754 | L1707-L1730 HydrophobicContact CD1-CD2 3.78Å; L1707-L1730 HydrophobicContact CD2-CD2 4.25Å; L1707-L1730 HydrophobicContact CD2-CG 4.44Å; L1707-L1730 HydrophobicContact CG-CD2 3.85Å; L1707-L1730 HydrophobicContact CG-CG 4.36Å; L1707-L1730 VanDerWaalsContact O-CA 3.25Å; L1707-L1730 WeakPolarHBondContact O-CA 3.31Å; L1707-L1730 WeakPolarHBondContact O-CD2 3.32Å; L1707-L1730 WeakPolarHBondContact O-CG 3.33Å; L1707-L1730 PolarHBondContact O-N 3.26Å; L1707-L1730 VanDerWaalsContact O-N 3.12Å; Q1709-L1730 VanDerWaalsContact C-CD2 3.48Å; L1710-L1730 HydrophobicContact CB-CD1 4.03Å; L1710-L1730 HydrophobicContact CB-CD2 3.54Å; L1710-L1730 VanDerWaalsContact CB-CD2 3.5Å; L1710-L1730 HydrophobicContact CB-CG 4.44Å; L1710-L1730 HydrophobicContact CD2-CD1 3.86Å; L1710-L1730 VanDerWaalsContact N-CD2 3.34Å; F1725-L1730 HydrophobicContact CD1-CD1 4.04Å; F1725-L1730 HydrophobicContact CE1-CD1 4.29Å; S1728-L1730 PolarHBondContact O-N 2.88Å; S1728-L1730 WeakPolarHBondContact OG-CB 3.35Å; S1728-L1730 WeakPolarHBondContact OG-CD1 3.33Å; S1728-L1730 VanDerWaalsContact OG-CG 3.26Å; S1728-L1730 WeakPolarHBondContact OG-CG 3.21Å; S1728-L1730 PolarHBondContact OG-N 3.11Å; L1730-L1751 HydrophobicContact CB-CD2 3.77Å; L1730-L1751 HydrophobicContact CD1-CD2 3.81Å; L1730-L1751 HydrophobicContact CG-CD2 4.39Å; L1730-Y1753 CarbonylContact O-C 3.33Å; L1730-Y1753 VanDerWaalsContact O-C 3.27Å; L1730-L1754 HydrophobicContact CB-CD1 4.4Å; L1730-L1754 VanDerWaalsContact O-CA 3.31Å; L1730-L1754 WeakPolarHBondContact O-CA 3.28Å; L1730-L1754 PolarHBondContact O-N 2.78Å; L1730-L1754 VanDerWaalsContact O-N 3.13Å | ||
| 1731 | V | 90.4 | Very high | 92.3 | Very high | 26.8 Ų | 26.8 | 31.6 Ų | 31.6 | 16% | 0.162 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -108.4 | -36.5 | 177.4 | -177.8 | 0 | 0 | 0 | 0 | 110.5 | M1228 A1708 S1729 Q1755 Q1756 L1947 | M1228-V1731 HydrophobicContact CE-CG1 3.33Å; M1228-V1731 HydrophobicContact SD-CG1 3.54Å; M1228-V1731 VanDerWaalsContact SD-CG1 3.54Å; A1708-V1731 HydrophobicContact CB-CB 4.4Å; A1708-V1731 HydrophobicContact CB-CG2 4.29Å; A1708-V1731 WeakPolarHBondContact O-CA 3.35Å; A1708-V1731 WeakPolarHBondContact O-CB 3.32Å; A1708-V1731 PolarHBondContact O-N 3.05Å; S1729-V1731 PolarHBondContact O-N 2.9Å; V1731-Q1755 HydrophobicContact CG1-CB 3.96Å; V1731-Q1755 HydrophobicContact CG1-CG 4.09Å; V1731-Q1755 PolarHBondContact O-N 3.03Å; V1731-Q1756 PolarHBondContact O-N 2.96Å; V1731-Q1756 VanDerWaalsContact O-N 3.16Å; V1731-L1947 HydrophobicContact CG1-CD2 3.9Å |
| 1732 | I | 87.9 | Confident | 92.3 | Very high | 19.6 Ų | 19.6 | 36.2 Ų | 36.2 | 10% | 0.101 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 127.3 | 179.2 | -54.3 | -176.4 | 0 | 0 | 0 | 109.9 | A1708 Q1709 L1710 Y1711 M1734 Q1756 | A1708-I1732 PolarHBondContact O-N 3.25Å; Q1709-I1732 HydrophobicContact CB-CB 4.16Å; Q1709-I1732 HydrophobicContact CG-CB 4.29Å; Q1709-I1732 HydrophobicContact CG-CD1 4.19Å; Q1709-I1732 HydrophobicContact CG-CG1 4.38Å; L1710-I1732 PolarHBondContact N-O 3.15Å; L1710-I1732 VanDerWaalsContact N-O 3.09Å; Y1711-I1732 HydrophobicContact CE1-CG2 4.37Å; I1732-M1734 HydrophobicContact CG2-CE 3.74Å; I1732-M1734 HydrophobicContact CG2-CG 4.08Å; I1732-M1734 HydrophobicContact CG2-SD 4.17Å; I1732-Q1756 WeakPolarHBondContact CA-O 3.37Å; I1732-Q1756 HydrophobicContact CG1-CB 4.36Å; I1732-Q1756 HydrophobicContact CG2-CB 4.38Å; I1732-Q1756 HydrophobicContact CG2-CG 4.48Å |
| 1733 | L | 95.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 115.5 | 173.5 | 177.7 | 60.8 | 0 | 0 | 0 | 110.2 | L1710 F1725 L1735 F1748 L1751 L1754 Q1756 C1757 S1758 | L1710-L1733 HydrophobicContact CB-CD1 4.29Å; L1710-L1733 HydrophobicContact CD2-CD1 3.92Å; L1710-L1733 HydrophobicContact CG-CD1 4.1Å; L1710-L1733 WeakPolarHBondContact O-CA 3.39Å; F1725-L1733 HydrophobicContact CE1-CD1 4.45Å; F1725-L1733 HydrophobicContact CE2-CD2 4.41Å; F1725-L1733 HydrophobicContact CZ-CD1 4.48Å; F1725-L1733 HydrophobicContact CZ-CD2 4.2Å; L1733-L1735 HydrophobicContact CD1-CD1 4.2Å; L1733-L1735 HydrophobicContact CD1-CG 4.23Å; L1733-L1735 HydrophobicContact CD2-CD1 3.92Å; L1733-L1735 HydrophobicContact CG-CD1 3.97Å; L1733-L1735 HydrophobicContact CG-CG 4.28Å; L1733-F1748 HydrophobicContact CD2-CD1 4.41Å; L1733-F1748 HydrophobicContact CD2-CE1 4.28Å; L1733-L1751 HydrophobicContact CD2-CD1 3.94Å; L1733-L1754 HydrophobicContact CB-CD1 3.68Å; L1733-Q1756 PolarHBondContact N-O 3.03Å; L1733-C1757 WeakPolarHBondContact O-CA 3.28Å; L1733-S1758 PolarHBondContact O-N 3Å; L1733-S1758 VanDerWaalsContact O-N 3.15Å |
| 1734 | M | 95.3 | Very high | 92.5 | Very high | 19.2 Ų | 19.2 | 34.5 Ų | 34.5 | 10% | 0.095 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 110.7 | 178.7 | -60.2 | -60.5 | -155.2 | 0 | 0 | 110.7 | L1710 Y1711 L1712 G1713 I1732 Q1756 P1941 | L1710-M1734 PolarHBondContact O-N 3.08Å; Y1711-M1734 HydrophobicContact CD1-CB 3.77Å; Y1711-M1734 HydrophobicContact CD1-CG 3.56Å; Y1711-M1734 HydrophobicContact CE1-CB 4.38Å; Y1711-M1734 HydrophobicContact CE1-CE 4.27Å; Y1711-M1734 HydrophobicContact CE1-CG 3.64Å; Y1711-M1734 HydrophobicContact CG-CB 4.42Å; Y1711-M1734 HydrophobicContact CG-CG 4.38Å; L1712-M1734 CarbonylContact C-O 3.32Å; L1712-M1734 WeakPolarHBondContact CA-O 3.38Å; L1712-M1734 PolarHBondContact N-O 3.08Å; G1713-M1734 PolarHBondContact N-O 2.97Å; I1732-M1734 HydrophobicContact CG2-CE 3.74Å; I1732-M1734 HydrophobicContact CG2-CG 4.08Å; I1732-M1734 HydrophobicContact CG2-SD 4.17Å; M1734-Q1756 HydrophobicContact CE-CG 4.24Å; M1734-P1941 HydrophobicContact CE-CB 4.11Å |
| 1735 | L | 96.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -117.3 | 27.2 | 174.7 | -73.4 | 161.4 | 0 | 0 | 0 | 114.4 | I1696 L1712 I1717 I1720 L1733 N1738 L1740 S1758 L1759 N1762 | I1696-L1735 HydrophobicContact CD1-CD2 4.44Å; L1712-L1735 HydrophobicContact CB-CD2 3.64Å; L1712-L1735 HydrophobicContact CB-CG 4.48Å; L1712-L1735 HydrophobicContact CD1-CD2 4.03Å; L1712-L1735 HydrophobicContact CG-CD2 4.49Å; I1717-L1735 HydrophobicContact CD1-CD2 3.76Å; I1720-L1735 HydrophobicContact CD1-CD1 3.98Å; L1733-L1735 HydrophobicContact CD1-CD1 4.2Å; L1733-L1735 HydrophobicContact CD1-CG 4.23Å; L1733-L1735 HydrophobicContact CD2-CD1 3.92Å; L1733-L1735 HydrophobicContact CG-CD1 3.97Å; L1733-L1735 HydrophobicContact CG-CG 4.28Å; L1735-N1738 PolarHBondContact O-ND2 3.15Å; L1735-N1738 VanDerWaalsContact O-ND2 3.12Å; L1735-L1740 HydrophobicContact CD1-CD1 4.48Å; L1735-S1758 CarbonylContact C-O 3.32Å; L1735-S1758 WeakPolarHBondContact CA-O 3.41Å; L1735-S1758 PolarHBondContact N-O 3.14Å; L1735-L1759 HydrophobicContact CB-CD2 3.97Å; L1735-L1759 HydrophobicContact CD1-CD2 4.05Å; L1735-N1762 PolarHBondContact O-ND2 3.1Å; L1735-N1762 VanDerWaalsContact O-ND2 3.14Å | ||
| 1736 | P | 93.6 | Very high | 92 | Very high | 16.2 Ų | 16.2 | 39.9 Ų | 39.9 | 11% | 0.105 | 21% | 0.214 | C | C | . | . | trans | -67.3 | 152.6 | -176.7 | 32.4 | -37.8 | 0 | 0 | 0 | 112 | G1713 Q1714 N1738 K1760 I1939 | G1713-P1736 CarbonylContact C-O 3.46Å; G1713-P1736 WeakPolarHBondContact CA-O 3.25Å; Q1714-P1736 PolarHBondContact N-O 3.07Å; P1736-N1738 PolarHBondContact O-ND2 3.06Å; P1736-K1760 CarbonylContact C-O 3.46Å; P1736-K1760 VanDerWaalsContact CA-O 3.25Å; P1736-K1760 WeakPolarHBondContact CA-O 3.27Å; P1736-K1760 HydrophobicContact CB-CB 4.1Å; P1736-K1760 HydrophobicContact CB-CG 4.29Å; P1736-I1939 HydrophobicContact CB-CD1 3.71Å; P1736-I1939 VanDerWaalsContact CB-CD1 3.43Å; P1736-I1939 HydrophobicContact CB-CG1 4.48Å; P1736-I1939 HydrophobicContact CG-CD1 3.66Å; P1736-I1939 VanDerWaalsContact CG-CD1 3.5Å; P1736-I1939 HydrophobicContact CG-CG1 4.38Å | ||
| 1737 | M | 95.8 | Very high | 92.2 | Very high | 68.6 Ų | 68.6 | 38.5 Ų | 38.5 | 34% | 0.338 | 21% | 0.205 | S | C | . | . | S | Bend | trans | 56.3 | 64.5 | -179.1 | -58.3 | 177.4 | 70.7 | 0 | 0 | 112.2 | R1250 Q1714 N1715 K1760 N1761 | R1250-M1737 PolarHBondContact NH1-SD 2.98Å; Q1714-M1737 CarbonylContact C-O 3.15Å; Q1714-M1737 VanDerWaalsContact CA-O 3.26Å; Q1714-M1737 WeakPolarHBondContact CA-O 3.29Å; Q1714-M1737 HydrophobicContact CB-CB 4.46Å; Q1714-M1737 HydrophobicContact CG-CB 3.9Å; Q1714-M1737 HydrophobicContact CG-CE 4.15Å; Q1714-M1737 HydrophobicContact CG-CG 4.35Å; Q1714-M1737 HydrophobicContact CG-SD 3.66Å; Q1714-M1737 VanDerWaalsContact CG-SD 3.59Å; Q1714-M1737 PolarHBondContact N-O 3.06Å; Q1714-M1737 PolarHBondContact NE2-SD 2.92Å; N1715-M1737 PolarHBondContact N-O 2.9Å; M1737-K1760 PolarHBondContact N-O 3.23Å; M1737-N1761 VanDerWaalsContact CA-O 3.29Å; M1737-N1761 WeakPolarHBondContact CA-O 3.38Å; M1737-N1761 HydrophobicContact CG-CB 3.91Å |
| 1738 | N | 96.2 | Very high | 92.7 | Very high | 3.8 Ų | 3.8 | 31.8 Ų | 31.8 | 2% | 0.02 | 17% | 0.17 | C | C | . | . | trans | -135.9 | -178.4 | 176.9 | -88.2 | -77.4 | 0 | 0 | 0 | 110.8 | L1712 N1715 I1717 L1735 P1736 N1761 N1762 | L1712-N1738 PolarHBondContact O-ND2 3.06Å; N1715-N1738 WeakPolarHBondContact CA-OD1 3.39Å; N1715-N1738 WeakPolarHBondContact CB-OD1 3.35Å; N1715-N1738 PolarHBondContact N-OD1 3.24Å; N1715-N1738 PolarHBondContact O-OD1 3.12Å; I1717-N1738 HydrophobicContact CB-CB 4.4Å; I1717-N1738 VanDerWaalsContact CB-OD1 3.27Å; I1717-N1738 WeakPolarHBondContact CB-OD1 3.28Å; I1717-N1738 WeakPolarHBondContact CG1-OD1 3.32Å; I1717-N1738 PolarHBondContact N-OD1 2.98Å; L1735-N1738 PolarHBondContact O-ND2 3.15Å; L1735-N1738 VanDerWaalsContact O-ND2 3.12Å; P1736-N1738 PolarHBondContact O-ND2 3.06Å; N1738-N1761 PolarHBondContact N-O 3.31Å; N1738-N1762 WeakPolarHBondContact CA-OD1 3.25Å; N1738-N1762 WeakPolarHBondContact CB-OD1 3.33Å; N1738-N1762 WeakPolarHBondContact O-CA 3.35Å; N1738-N1762 PolarHBondContact O-OD1 3.02Å; N1738-N1762 VanDerWaalsContact O-OD1 3.11Å | ||
| 1739 | N | 96.7 | Very high | 92.9 | Very high | 78.2 Ų | 78.2 | 35.5 Ų | 35.5 | 42% | 0.418 | 19% | 0.186 | S | C | . | . | trans | -104.5 | 21.4 | -173.3 | -71.8 | -33.7 | 0 | 0 | 0 | 113.9 | R1716 I1717 S1741 | R1716-N1739 PolarHBondContact O-ND2 2.95Å; I1717-N1739 CarbonylContact O-C 3.21Å; I1717-N1739 VanDerWaalsContact O-CA 3.31Å; I1717-N1739 WeakPolarHBondContact O-CA 3.34Å; I1717-N1739 PolarHBondContact O-N 3Å; N1739-S1741 PolarHBondContact O-N 3.19Å | ||
| 1740 | L | 96 | Very high | 92.8 | Very high | 1.2 Ų | 1.2 | 35.3 Ų | 35.3 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | trans | -66.8 | 128.6 | 177.8 | -61.9 | 172.5 | 0 | 0 | 0 | 110.1 | I1717 I1720 L1735 L1759 N1762 N1763 I1764 | I1717-L1740 HydrophobicContact CG2-CD2 4.23Å; I1717-L1740 PolarHBondContact O-N 3.2Å; I1717-L1740 VanDerWaalsContact O-N 3.15Å; I1720-L1740 HydrophobicContact CD1-CD1 4.47Å; I1720-L1740 HydrophobicContact CD1-CD2 4.47Å; I1720-L1740 HydrophobicContact CG1-CD2 4.34Å; L1735-L1740 HydrophobicContact CD1-CD1 4.48Å; L1740-L1759 HydrophobicContact CD1-CD2 3.71Å; L1740-N1762 HydrophobicContact CB-CB 4.41Å; L1740-N1762 WeakPolarHBondContact CB-OD1 3.4Å; L1740-N1762 PolarHBondContact N-OD1 3.1Å; L1740-N1762 VanDerWaalsContact N-OD1 3.14Å; L1740-N1763 CarbonylContact O-C 3.4Å; L1740-N1763 VanDerWaalsContact O-C 3.24Å; L1740-N1763 VanDerWaalsContact O-CA 3.26Å; L1740-N1763 WeakPolarHBondContact O-CA 3.43Å; L1740-N1763 WeakPolarHBondContact O-CB 3.22Å; L1740-N1763 PolarHBondContact O-N 3.08Å; L1740-I1764 HydrophobicContact CB-CG1 4.24Å; L1740-I1764 WeakPolarHBondContact O-CG1 3.26Å; L1740-I1764 PolarHBondContact O-N 2.88Å; L1740-I1764 VanDerWaalsContact O-N 3.14Å | ||
| 1741 | S | 94.4 | Very high | 92.8 | Very high | 63.2 Ų | 63.2 | 35.3 Ų | 35.3 | 44% | 0.442 | 19% | 0.187 | S | C | . | . | trans | -111.5 | -17.6 | -175.4 | 58.8 | 0 | 0 | 0 | 0 | 114.6 | N1739 N1763 I1764 V1765 | N1739-S1741 PolarHBondContact O-N 3.19Å; S1741-N1763 WeakPolarHBondContact CA-O 3.23Å; S1741-I1764 WeakPolarHBondContact O-CA 3.26Å; S1741-V1765 PolarHBondContact O-N 2.93Å | ||
| 1742 | R | 93.7 | Very high | 92.8 | Very high | 142 Ų | 142 | 37.3 Ų | 37.3 | 54% | 0.536 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 155.8 | 177.5 | 67.8 | -169.4 | -163.8 | -162.9 | 9.3 | 110 | E1744 M1747 N1766 | R1742-E1744 HydrophobicContact CG-CG 4.43Å; R1742-E1744 IonicContact CZ-OE1 3.02Å; R1742-E1744 VanDerWaalsContact CZ-OE1 3.23Å; R1742-E1744 IonicContact CZ-OE2 2.76Å; R1742-E1744 IonicContact NE-OE1 2.72Å; R1742-E1744 PolarHBondContact NE-OE1 3.09Å; R1742-E1744 VanDerWaalsContact NE-OE1 3.13Å; R1742-E1744 IonicContact NE-OE2 3.76Å; R1742-E1744 PolarHBondContact NE-OE2 2.98Å; R1742-E1744 VanDerWaalsContact NH2-CD 3.32Å; R1742-E1744 IonicContact NH2-OE1 2.98Å; R1742-E1744 PolarHBondContact NH2-OE1 3.1Å; R1742-E1744 IonicContact NH2-OE2 3.04Å; R1742-E1744 PolarHBondContact NH2-OE2 2.87Å; R1742-E1744 VanDerWaalsContact NH2-OE2 3.11Å; R1742-M1747 WeakPolarHBondContact O-CE 3.43Å; R1742-N1766 VanDerWaalsContact CA-O 3.31Å; R1742-N1766 WeakPolarHBondContact CA-O 3.32Å |
| 1743 | L | 94.5 | Very high | 92.9 | Very high | 2.8 Ų | 2.8 | 42.7 Ų | 42.7 | 2% | 0.015 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 128.9 | 173.5 | -57.2 | -178.5 | 0 | 0 | 0 | 111 | M1747 F1748 L1759 I1764 N1766 I1767 A1768 A1771 F1772 L1783 | L1743-M1747 HydrophobicContact CD2-SD 4.04Å; L1743-F1748 HydrophobicContact CD1-CE2 4.42Å; L1743-F1748 HydrophobicContact CD2-CE2 4.32Å; L1743-F1748 HydrophobicContact CD2-CZ 4.28Å; L1743-L1759 HydrophobicContact CD1-CD1 3.87Å; L1743-L1759 HydrophobicContact CD2-CD1 4.3Å; L1743-I1764 HydrophobicContact CD1-CD1 4.22Å; L1743-I1764 HydrophobicContact CD2-CD1 3.97Å; L1743-I1764 HydrophobicContact CD2-CG1 4.43Å; L1743-I1764 HydrophobicContact CG-CD1 4.13Å; L1743-I1764 HydrophobicContact CG-CG2 4.12Å; L1743-N1766 PolarHBondContact N-O 3.05Å; L1743-N1766 VanDerWaalsContact N-O 3.12Å; L1743-I1767 HydrophobicContact CB-CG1 4.45Å; L1743-I1767 HydrophobicContact CB-CG2 4.24Å; L1743-I1767 HydrophobicContact CD1-CD1 4.17Å; L1743-I1767 HydrophobicContact CD1-CG1 4Å; L1743-I1767 HydrophobicContact CD1-CG2 4.27Å; L1743-I1767 HydrophobicContact CG-CG1 4.36Å; L1743-A1768 VanDerWaalsContact O-CB 3.28Å; L1743-A1768 WeakPolarHBondContact O-CB 3.31Å; L1743-A1768 PolarHBondContact O-N 3.23Å; L1743-A1768 VanDerWaalsContact O-N 3.1Å; L1743-A1771 HydrophobicContact CB-CB 4.04Å; L1743-F1772 HydrophobicContact CD1-CE1 4.3Å; L1743-F1772 HydrophobicContact CD1-CE2 4.06Å; L1743-F1772 HydrophobicContact CD1-CZ 3.51Å; L1743-F1772 VanDerWaalsContact CD1-CZ 3.48Å; L1743-L1783 HydrophobicContact CD1-CD2 4.3Å |
| 1744 | E | 91.7 | Very high | 92.8 | Very high | 69 Ų | 69 | 42.7 Ų | 42.7 | 32% | 0.322 | 22% | 0.22 | S | C | . | . | trans | -112.1 | 162.8 | -176.3 | -65 | 173.7 | -173 | 0 | 0 | 111.3 | R1742 D1746 M1747 | R1742-E1744 HydrophobicContact CG-CG 4.43Å; R1742-E1744 IonicContact CZ-OE1 3.02Å; R1742-E1744 VanDerWaalsContact CZ-OE1 3.23Å; R1742-E1744 IonicContact CZ-OE2 2.76Å; R1742-E1744 IonicContact NE-OE1 2.72Å; R1742-E1744 PolarHBondContact NE-OE1 3.09Å; R1742-E1744 VanDerWaalsContact NE-OE1 3.13Å; R1742-E1744 IonicContact NE-OE2 3.76Å; R1742-E1744 PolarHBondContact NE-OE2 2.98Å; R1742-E1744 VanDerWaalsContact NH2-CD 3.32Å; R1742-E1744 IonicContact NH2-OE1 2.98Å; R1742-E1744 PolarHBondContact NH2-OE1 3.1Å; R1742-E1744 IonicContact NH2-OE2 3.04Å; R1742-E1744 PolarHBondContact NH2-OE2 2.87Å; R1742-E1744 VanDerWaalsContact NH2-OE2 3.11Å; E1744-D1746 VanDerWaalsContact C-N 3.3Å; E1744-D1746 PolarHBondContact O-N 3.03Å; E1744-M1747 HydrophobicContact CB-CE 3.9Å; E1744-M1747 HydrophobicContact CB-CG 4.19Å; E1744-M1747 HydrophobicContact CB-SD 4.34Å; E1744-M1747 HydrophobicContact CG-CE 3.92Å; E1744-M1747 PolarHBondContact N-SD 3.04Å; E1744-M1747 VanDerWaalsContact N-SD 3.4Å; E1744-M1747 WeakPolarHBondContact O-CB 3.33Å; E1744-M1747 VanDerWaalsContact OE2-CE 3.31Å; E1744-M1747 WeakPolarHBondContact OE2-CE 3.28Å | ||
| 1745 | S | 87.3 | Confident | 92.6 | Very high | 64.2 Ų | 64.2 | 44.4 Ų | 44.4 | 45% | 0.449 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -71.1 | -16.3 | -168.1 | 48.6 | 0 | 0 | 0 | 0 | 116.5 | N1770 | S1745-N1770 VanDerWaalsContact CB-ND2 3.28Å; S1745-N1770 WeakPolarHBondContact CB-ND2 3.39Å; S1745-N1770 WeakPolarHBondContact CB-OD1 3.02Å |
| 1746 | D | 88.1 | Confident | 92.2 | Very high | 51 Ų | 51 | 45.5 Ų | 45.5 | 27% | 0.273 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -110.3 | -12.7 | -174.5 | 50.1 | 4 | 0 | 0 | 0 | 113.5 | P1722 E1744 F1748 Q1749 | P1722-D1746 HydrophobicContact CB-CB 4.16Å; P1722-D1746 HydrophobicContact CG-CB 4.33Å; P1722-D1746 WeakPolarHBondContact CG-OD2 3.4Å; E1744-D1746 VanDerWaalsContact C-N 3.3Å; E1744-D1746 PolarHBondContact O-N 3.03Å; D1746-F1748 VanDerWaalsContact C-N 3.28Å; D1746-F1748 PolarHBondContact O-N 2.94Å; D1746-F1748 VanDerWaalsContact O-N 3.14Å; D1746-Q1749 VanDerWaalsContact O-CB 3.27Å; D1746-Q1749 WeakPolarHBondContact O-CB 3.25Å; D1746-Q1749 PolarHBondContact O-N 3.01Å; D1746-Q1749 VanDerWaalsContact O-N 3.1Å |
| 1747 | M | 92.6 | Very high | 92.2 | Very high | 8.8 Ų | 8.8 | 44.9 Ų | 44.9 | 4% | 0.043 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -37.8 | -179.9 | -106.6 | 176.7 | -147 | 0 | 0 | 113.7 | I1720 F1725 R1742 L1743 E1744 | I1720-M1747 HydrophobicContact CB-CB 4.26Å; I1720-M1747 HydrophobicContact CB-CE 4.39Å; I1720-M1747 HydrophobicContact CB-CG 4.13Å; I1720-M1747 HydrophobicContact CD1-CG 4.08Å; I1720-M1747 HydrophobicContact CD1-SD 4.23Å; I1720-M1747 HydrophobicContact CG2-CB 4.32Å; I1720-M1747 HydrophobicContact CG2-CG 4.06Å; I1720-M1747 WeakPolarHBondContact CG2-O 3.46Å; F1725-M1747 WeakPolarHBondContact CD2-O 3.36Å; R1742-M1747 WeakPolarHBondContact O-CE 3.43Å; L1743-M1747 HydrophobicContact CD2-SD 4.04Å; E1744-M1747 HydrophobicContact CB-CE 3.9Å; E1744-M1747 HydrophobicContact CB-CG 4.19Å; E1744-M1747 HydrophobicContact CB-SD 4.34Å; E1744-M1747 HydrophobicContact CG-CE 3.92Å; E1744-M1747 PolarHBondContact N-SD 3.04Å; E1744-M1747 VanDerWaalsContact N-SD 3.4Å; E1744-M1747 WeakPolarHBondContact O-CB 3.33Å; E1744-M1747 VanDerWaalsContact OE2-CE 3.31Å; E1744-M1747 WeakPolarHBondContact OE2-CE 3.28Å |
| 1748 | F | 92.5 | Very high | 92.1 | Very high | 1.4 Ų | 1.4 | 41.8 Ų | 41.8 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 15.5 | -178.3 | -57.6 | -62.5 | 0 | 0 | 0 | 113 | I1720 L1733 L1743 D1746 G1750 L1751 L1759 F1772 S1774 V1775 | I1720-F1748 HydrophobicContact CD1-CE1 4.4Å; L1733-F1748 HydrophobicContact CD2-CD1 4.41Å; L1733-F1748 HydrophobicContact CD2-CE1 4.28Å; L1743-F1748 HydrophobicContact CD1-CE2 4.42Å; L1743-F1748 HydrophobicContact CD2-CE2 4.32Å; L1743-F1748 HydrophobicContact CD2-CZ 4.28Å; D1746-F1748 VanDerWaalsContact C-N 3.28Å; D1746-F1748 PolarHBondContact O-N 2.94Å; D1746-F1748 VanDerWaalsContact O-N 3.14Å; F1748-G1750 PolarHBondContact O-N 3.05Å; F1748-L1751 HydrophobicContact CB-CD1 4.05Å; F1748-L1751 HydrophobicContact CD1-CD1 3.84Å; F1748-L1751 HydrophobicContact CG-CD1 4.43Å; F1748-L1751 WeakPolarHBondContact O-CB 3.24Å; F1748-L1751 PolarHBondContact O-N 3.1Å; F1748-L1759 HydrophobicContact CZ-CD1 4.14Å; F1748-L1759 HydrophobicContact CZ-CD2 4.46Å; F1748-F1772 HydrophobicContact CD2-CD1 4.11Å; F1748-F1772 HydrophobicContact CD2-CE1 4.19Å; F1748-F1772 HydrophobicContact CE2-CD1 4.15Å; F1748-F1772 AromaticContact CE2-CE1 3.75Å; F1748-F1772 HydrophobicContact CE2-CE1 3.75Å; F1748-F1772 HydrophobicContact CE2-CZ 4.36Å; F1748-F1772 HydrophobicContact CZ-CE1 4.4Å; F1748-S1774 WeakPolarHBondContact O-CB 3.14Å; F1748-S1774 PolarHBondContact O-OG 3.15Å; F1748-V1775 HydrophobicContact CB-CG1 4.04Å |
| 1749 | Q | 90.7 | Very high | 92.1 | Very high | 86.4 Ų | 86.4 | 41.7 Ų | 41.7 | 40% | 0.404 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 124.3 | -179 | -178.5 | 164.8 | -31.4 | 0 | 0 | 111.9 | N1723 F1725 D1746 | N1723-Q1749 PolarHBondContact OD1-NE2 3.13Å; F1725-Q1749 CarbonylContact C-O 3.41Å; D1746-Q1749 VanDerWaalsContact O-CB 3.27Å; D1746-Q1749 WeakPolarHBondContact O-CB 3.25Å; D1746-Q1749 PolarHBondContact O-N 3.01Å; D1746-Q1749 VanDerWaalsContact O-N 3.1Å |
| 1750 | G | 86.9 | Confident | 92 | Very high | 19.6 Ų | 19.6 | 39.5 Ų | 39.5 | 20% | 0.202 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 105.2 | -18.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | F1725 F1748 T1752 | F1725-G1750 CarbonylContact O-C 3.49Å; F1725-G1750 WeakPolarHBondContact O-CA 3.3Å; F1748-G1750 PolarHBondContact O-N 3.05Å; G1750-T1752 PolarHBondContact O-N 3.12Å; G1750-T1752 PolarHBondContact O-OG1 3.27Å |
| 1751 | L | 92.1 | Very high | 92 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -76 | 42.9 | -176.2 | -68.1 | 174.9 | 0 | 0 | 0 | 114.4 | F1725 L1730 L1733 F1748 Y1753 L1754 V1775 | F1725-L1751 HydrophobicContact CB-CD1 4.29Å; F1725-L1751 HydrophobicContact CB-CD2 3.63Å; F1725-L1751 HydrophobicContact CB-CG 3.65Å; F1725-L1751 HydrophobicContact CD1-CD1 4.39Å; F1725-L1751 HydrophobicContact CD1-CD2 3.96Å; F1725-L1751 HydrophobicContact CD1-CG 4.44Å; F1725-L1751 HydrophobicContact CD2-CD1 3.71Å; F1725-L1751 HydrophobicContact CD2-CD2 4.36Å; F1725-L1751 HydrophobicContact CD2-CG 4.03Å; F1725-L1751 HydrophobicContact CE2-CD1 4.08Å; F1725-L1751 HydrophobicContact CG-CD1 3.94Å; F1725-L1751 HydrophobicContact CG-CD2 3.76Å; F1725-L1751 HydrophobicContact CG-CG 3.83Å; L1730-L1751 HydrophobicContact CB-CD2 3.77Å; L1730-L1751 HydrophobicContact CD1-CD2 3.81Å; L1730-L1751 HydrophobicContact CG-CD2 4.39Å; L1733-L1751 HydrophobicContact CD2-CD1 3.94Å; F1748-L1751 HydrophobicContact CB-CD1 4.05Å; F1748-L1751 HydrophobicContact CD1-CD1 3.84Å; F1748-L1751 HydrophobicContact CG-CD1 4.43Å; F1748-L1751 WeakPolarHBondContact O-CB 3.24Å; F1748-L1751 PolarHBondContact O-N 3.1Å; L1751-Y1753 PolarHBondContact O-N 3.04Å; L1751-Y1753 VanDerWaalsContact O-N 3.1Å; L1751-L1754 HydrophobicContact CB-CB 4.14Å; L1751-L1754 HydrophobicContact CB-CD2 4.46Å; L1751-L1754 HydrophobicContact CD1-CD2 4.24Å; L1751-L1754 VanDerWaalsContact O-CB 3.27Å; L1751-L1754 WeakPolarHBondContact O-CB 3.28Å; L1751-L1754 PolarHBondContact O-N 3.25Å; L1751-L1754 VanDerWaalsContact O-N 3.14Å; L1751-V1775 HydrophobicContact CB-CG1 3.63Å | ||
| 1752 | T | 89.6 | Confident | 92 | Very high | 68.2 Ų | 68.2 | 39.9 Ų | 39.9 | 42% | 0.418 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -27.6 | -171.6 | -35.8 | 0 | 0 | 0 | 0 | 114 | G1750 N1777 | G1750-T1752 PolarHBondContact O-N 3.12Å; G1750-T1752 PolarHBondContact O-OG1 3.27Å; T1752-N1777 PolarHBondContact O-ND2 3.2Å |
| 1753 | Y | 90.8 | Very high | 92.1 | Very high | 132 Ų | 132 | 35.8 Ų | 35.8 | 52% | 0.518 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -1.9 | -178.3 | -63.2 | -74.9 | 0 | 0 | 0 | 114.7 | L1730 L1751 Q1755 | L1730-Y1753 CarbonylContact O-C 3.33Å; L1730-Y1753 VanDerWaalsContact O-C 3.27Å; L1751-Y1753 PolarHBondContact O-N 3.04Å; L1751-Y1753 VanDerWaalsContact O-N 3.1Å; Y1753-Q1755 VanDerWaalsContact O-CG 3.23Å; Y1753-Q1755 WeakPolarHBondContact O-CG 3.37Å; Y1753-Q1755 PolarHBondContact O-N 3.23Å |
| 1754 | L | 93.8 | Very high | 92.2 | Very high | 1.8 Ų | 1.8 | 35.7 Ų | 35.7 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | trans | -64.5 | 129.3 | -173.3 | -167.7 | 75.4 | 0 | 0 | 0 | 111.5 | L1730 L1733 L1751 C1757 V1775 N1777 L1778 | L1730-L1754 HydrophobicContact CB-CD1 4.4Å; L1730-L1754 VanDerWaalsContact O-CA 3.31Å; L1730-L1754 WeakPolarHBondContact O-CA 3.28Å; L1730-L1754 PolarHBondContact O-N 2.78Å; L1730-L1754 VanDerWaalsContact O-N 3.13Å; L1733-L1754 HydrophobicContact CB-CD1 3.68Å; L1751-L1754 HydrophobicContact CB-CB 4.14Å; L1751-L1754 HydrophobicContact CB-CD2 4.46Å; L1751-L1754 HydrophobicContact CD1-CD2 4.24Å; L1751-L1754 VanDerWaalsContact O-CB 3.27Å; L1751-L1754 WeakPolarHBondContact O-CB 3.28Å; L1751-L1754 PolarHBondContact O-N 3.25Å; L1751-L1754 VanDerWaalsContact O-N 3.14Å; L1754-C1757 HydrophobicContact CD2-CB 4.07Å; L1754-V1775 HydrophobicContact CB-CB 4.47Å; L1754-V1775 HydrophobicContact CB-CG1 4.17Å; L1754-V1775 HydrophobicContact CD2-CB 4.44Å; L1754-V1775 HydrophobicContact CD2-CG1 3.89Å; L1754-N1777 CarbonylContact O-C 3.39Å; L1754-L1778 HydrophobicContact CD2-CD1 4.21Å; L1754-L1778 HydrophobicContact CG-CD1 4.35Å; L1754-L1778 WeakPolarHBondContact O-CA 3.21Å; L1754-L1778 PolarHBondContact O-N 3.02Å; L1754-L1778 VanDerWaalsContact O-N 3.08Å | ||
| 1755 | Q | 90 | Very high | 92.4 | Very high | 53.8 Ų | 53.8 | 34.6 Ų | 34.6 | 25% | 0.251 | 18% | 0.183 | S | C | . | . | trans | -117.7 | -28.7 | 179.8 | -62.9 | -176 | 36 | 0 | 0 | 112.6 | M1228 V1731 Y1753 N1777 V1779 V1780 L1947 | M1228-Q1755 VanDerWaalsContact CB-OE1 3.25Å; M1228-Q1755 HydrophobicContact CE-CB 3.71Å; M1228-Q1755 HydrophobicContact CE-CG 4.05Å; M1228-Q1755 VanDerWaalsContact CG-OE1 3.28Å; M1228-Q1755 HydrophobicContact SD-CB 4.44Å; M1228-Q1755 HydrophobicContact SD-CG 4.14Å; M1228-Q1755 PolarHBondContact SD-NE2 3.45Å; M1228-Q1755 VanDerWaalsContact SD-NE2 3.38Å; M1228-Q1755 PolarHBondContact SD-OE1 3.37Å; V1731-Q1755 HydrophobicContact CG1-CB 3.96Å; V1731-Q1755 HydrophobicContact CG1-CG 4.09Å; V1731-Q1755 PolarHBondContact O-N 3.03Å; Y1753-Q1755 VanDerWaalsContact O-CG 3.23Å; Y1753-Q1755 WeakPolarHBondContact O-CG 3.37Å; Y1753-Q1755 PolarHBondContact O-N 3.23Å; Q1755-N1777 HydrophobicContact CG-CB 4.37Å; Q1755-V1779 HydrophobicContact CB-CG2 4.15Å; Q1755-V1779 HydrophobicContact CG-CG2 4.33Å; Q1755-V1779 WeakPolarHBondContact O-CA 3.28Å; Q1755-V1779 WeakPolarHBondContact O-CB 3.49Å; Q1755-V1779 PolarHBondContact O-N 3.33Å; Q1755-V1780 PolarHBondContact O-N 3.1Å; Q1755-L1947 VanDerWaalsContact OE1-CD2 3.3Å | ||
| 1756 | Q | 88.3 | Confident | 92.5 | Very high | 24 Ų | 24 | 36.1 Ų | 36.1 | 11% | 0.112 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 128.1 | 178.5 | -176 | 168.6 | 6.6 | 0 | 0 | 111.2 | V1731 I1732 L1733 M1734 V1780 I1944 | V1731-Q1756 PolarHBondContact O-N 2.96Å; V1731-Q1756 VanDerWaalsContact O-N 3.16Å; I1732-Q1756 WeakPolarHBondContact CA-O 3.37Å; I1732-Q1756 HydrophobicContact CG1-CB 4.36Å; I1732-Q1756 HydrophobicContact CG2-CB 4.38Å; I1732-Q1756 HydrophobicContact CG2-CG 4.48Å; L1733-Q1756 PolarHBondContact N-O 3.03Å; M1734-Q1756 HydrophobicContact CE-CG 4.24Å; Q1756-V1780 WeakPolarHBondContact CA-O 3.29Å; Q1756-V1780 HydrophobicContact CB-CB 4.41Å; Q1756-V1780 HydrophobicContact CG-CB 4.17Å; Q1756-V1780 HydrophobicContact CG-CG1 4.3Å; Q1756-I1944 HydrophobicContact CB-CD1 4.09Å; Q1756-I1944 HydrophobicContact CG-CD1 4.45Å |
| 1757 | C | 94.1 | Very high | 92.8 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.014 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 129.6 | 173.7 | -167 | 0 | 0 | 0 | 0 | 110.3 | L1733 L1754 L1778 V1780 L1781 D1782 | L1733-C1757 WeakPolarHBondContact O-CA 3.28Å; L1754-C1757 HydrophobicContact CD2-CB 4.07Å; C1757-L1778 HydrophobicContact CB-CD1 3.92Å; C1757-V1780 PolarHBondContact N-O 3.15Å; C1757-L1781 HydrophobicContact CB-CD1 4.02Å; C1757-L1781 WeakPolarHBondContact O-CA 3.4Å; C1757-D1782 PolarHBondContact O-N 2.99Å |
| 1758 | S | 94.6 | Very high | 92.7 | Very high | 5.2 Ų | 5.2 | 35.6 Ų | 35.6 | 4% | 0.036 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 122.5 | 169.7 | 175 | 0 | 0 | 0 | 0 | 110.7 | L1733 L1735 K1760 D1782 I1939 | L1733-S1758 PolarHBondContact O-N 3Å; L1733-S1758 VanDerWaalsContact O-N 3.15Å; L1735-S1758 CarbonylContact C-O 3.32Å; L1735-S1758 WeakPolarHBondContact CA-O 3.41Å; L1735-S1758 PolarHBondContact N-O 3.14Å; S1758-K1760 WeakPolarHBondContact OG-CB 3.48Å; S1758-K1760 PolarHBondContact OG-N 3.05Å; S1758-D1782 WeakPolarHBondContact CB-OD2 3.4Å; S1758-D1782 PolarHBondContact OG-OD2 3.03Å; S1758-I1939 VanDerWaalsContact OG-CD1 3.27Å; S1758-I1939 WeakPolarHBondContact OG-CD1 3.37Å |
| 1759 | L | 96.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -117.6 | 18.5 | 175.5 | -67.3 | 163.6 | 0 | 0 | 0 | 110.6 | L1735 L1740 L1743 F1748 N1762 I1764 F1772 L1781 D1782 L1783 N1786 | L1735-L1759 HydrophobicContact CB-CD2 3.97Å; L1735-L1759 HydrophobicContact CD1-CD2 4.05Å; L1740-L1759 HydrophobicContact CD1-CD2 3.71Å; L1743-L1759 HydrophobicContact CD1-CD1 3.87Å; L1743-L1759 HydrophobicContact CD2-CD1 4.3Å; F1748-L1759 HydrophobicContact CZ-CD1 4.14Å; F1748-L1759 HydrophobicContact CZ-CD2 4.46Å; L1759-N1762 WeakPolarHBondContact O-CB 3.34Å; L1759-N1762 PolarHBondContact O-ND2 3.12Å; L1759-I1764 HydrophobicContact CB-CD1 4.03Å; L1759-I1764 HydrophobicContact CD1-CD1 4.43Å; L1759-F1772 HydrophobicContact CD1-CE1 4.36Å; L1759-F1772 HydrophobicContact CD1-CZ 4.29Å; L1759-L1781 HydrophobicContact CD1-CD1 4.44Å; L1759-D1782 CarbonylContact C-O 3.26Å; L1759-D1782 WeakPolarHBondContact CA-O 3.27Å; L1759-D1782 WeakPolarHBondContact CB-O 3.22Å; L1759-D1782 PolarHBondContact N-O 2.96Å; L1759-L1783 HydrophobicContact CB-CD2 3.99Å; L1759-L1783 HydrophobicContact CD1-CD2 3.9Å; L1759-N1786 PolarHBondContact O-ND2 3.02Å | ||
| 1760 | K | 93.5 | Very high | 92.1 | Very high | 33 Ų | 33 | 37.9 Ų | 37.9 | 14% | 0.143 | 21% | 0.209 | C | C | . | . | trans | -50.7 | 144.3 | 178.6 | 173.3 | 168.9 | -167.1 | 112.8 | 0 | 113.5 | P1736 M1737 S1758 N1762 D1782 S1784 H1785 I1939 N2096 Y2097 | P1736-K1760 CarbonylContact C-O 3.46Å; P1736-K1760 VanDerWaalsContact CA-O 3.25Å; P1736-K1760 WeakPolarHBondContact CA-O 3.27Å; P1736-K1760 HydrophobicContact CB-CB 4.1Å; P1736-K1760 HydrophobicContact CB-CG 4.29Å; M1737-K1760 PolarHBondContact N-O 3.23Å; S1758-K1760 WeakPolarHBondContact OG-CB 3.48Å; S1758-K1760 PolarHBondContact OG-N 3.05Å; K1760-N1762 VanDerWaalsContact C-N 3.29Å; K1760-N1762 PolarHBondContact O-N 3.27Å; K1760-N1762 PolarHBondContact O-ND2 3.01Å; K1760-N1762 VanDerWaalsContact O-ND2 3.1Å; K1760-D1782 WeakPolarHBondContact CA-OD1 3.34Å; K1760-D1782 WeakPolarHBondContact CB-OD1 3.38Å; K1760-D1782 VanDerWaalsContact CB-OD2 3.28Å; K1760-D1782 WeakPolarHBondContact CB-OD2 3.37Å; K1760-D1782 PolarHBondContact N-O 3.27Å; K1760-D1782 PolarHBondContact N-OD1 2.81Å; K1760-S1784 CarbonylContact C-O 3.32Å; K1760-S1784 VanDerWaalsContact CA-O 3.24Å; K1760-S1784 WeakPolarHBondContact CA-O 3.37Å; K1760-S1784 VanDerWaalsContact CD-OG 3.3Å; K1760-S1784 WeakPolarHBondContact CD-OG 3.42Å; K1760-S1784 VanDerWaalsContact CG-OG 3.27Å; K1760-S1784 WeakPolarHBondContact CG-OG 3.26Å; K1760-S1784 PolarHBondContact NZ-OG 2.96Å; K1760-H1785 VanDerWaalsContact CE-CD2 3.44Å; K1760-H1785 WeakPolarHBondContact CE-CD2 3.4Å; K1760-H1785 PolarHBondContact NZ-CD2 3.03Å; K1760-H1785 VanDerWaalsContact NZ-CD2 3.31Å; K1760-H1785 PolarHBondContact NZ-NE2 3.13Å; K1760-I1939 HydrophobicContact CB-CD1 3.75Å; K1760-I1939 HydrophobicContact CD-CD1 3.54Å; K1760-I1939 HydrophobicContact CD-CG1 4.04Å; K1760-I1939 HydrophobicContact CG-CD1 4.03Å; K1760-N2096 PolarHBondContact NZ-O 2.83Å; K1760-N2096 PolarHBondContact NZ-OD1 2.87Å; K1760-Y2097 VanDerWaalsContact CB-OH 3.22Å; K1760-Y2097 WeakPolarHBondContact CB-OH 3.49Å; K1760-Y2097 HydrophobicContact CD-CE1 4.5Å; K1760-Y2097 HydrophobicContact CD-CE2 4.25Å; K1760-Y2097 WeakPolarHBondContact CD-OH 3.49Å; K1760-Y2097 WeakPolarHBondContact CG-OH 3.48Å | ||
| 1761 | N | 95.8 | Very high | 92.3 | Very high | 66 Ų | 66 | 37 Ų | 37 | 35% | 0.353 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 53.1 | 45.4 | 175.7 | -105.3 | 63.3 | 0 | 0 | 0 | 112.6 | M1737 N1738 S1784 H1785 | M1737-N1761 VanDerWaalsContact CA-O 3.29Å; M1737-N1761 WeakPolarHBondContact CA-O 3.38Å; M1737-N1761 HydrophobicContact CG-CB 3.91Å; N1738-N1761 PolarHBondContact N-O 3.31Å; N1761-S1784 PolarHBondContact N-O 3.23Å; N1761-S1784 VanDerWaalsContact N-O 3.11Å; N1761-H1785 VanDerWaalsContact CA-O 3.27Å; N1761-H1785 WeakPolarHBondContact CA-O 3.32Å; N1761-H1785 HydrophobicContact CB-CB 4.33Å; N1761-H1785 PolarHBondContact N-O 2.85Å; N1761-H1785 VanDerWaalsContact ND2-CB 3.27Å; N1761-H1785 WeakPolarHBondContact ND2-CB 3.41Å; N1761-H1785 PolarHBondContact OD1-CD2 2.76Å; N1761-H1785 VanDerWaalsContact OD1-CD2 3.28Å |
| 1762 | N | 95.8 | Very high | 92.2 | Very high | 6.4 Ų | 6.4 | 37.1 Ų | 37.1 | 3% | 0.034 | 20% | 0.199 | C | C | . | . | trans | -103.5 | -168.7 | 168.8 | -86 | -98.6 | 0 | 0 | 0 | 109.6 | L1735 N1738 L1740 L1759 K1760 I1764 N1786 | L1735-N1762 PolarHBondContact O-ND2 3.1Å; L1735-N1762 VanDerWaalsContact O-ND2 3.14Å; N1738-N1762 WeakPolarHBondContact CA-OD1 3.25Å; N1738-N1762 WeakPolarHBondContact CB-OD1 3.33Å; N1738-N1762 WeakPolarHBondContact O-CA 3.35Å; N1738-N1762 PolarHBondContact O-OD1 3.02Å; N1738-N1762 VanDerWaalsContact O-OD1 3.11Å; L1740-N1762 HydrophobicContact CB-CB 4.41Å; L1740-N1762 WeakPolarHBondContact CB-OD1 3.4Å; L1740-N1762 PolarHBondContact N-OD1 3.1Å; L1740-N1762 VanDerWaalsContact N-OD1 3.14Å; L1759-N1762 WeakPolarHBondContact O-CB 3.34Å; L1759-N1762 PolarHBondContact O-ND2 3.12Å; K1760-N1762 VanDerWaalsContact C-N 3.29Å; K1760-N1762 PolarHBondContact O-N 3.27Å; K1760-N1762 PolarHBondContact O-ND2 3.01Å; K1760-N1762 VanDerWaalsContact O-ND2 3.1Å; N1762-I1764 HydrophobicContact CB-CD1 4.12Å; N1762-I1764 HydrophobicContact CB-CG1 3.95Å; N1762-N1786 VanDerWaalsContact CA-OD1 3.31Å; N1762-N1786 WeakPolarHBondContact CA-OD1 3.3Å; N1762-N1786 VanDerWaalsContact CB-OD1 3.28Å; N1762-N1786 WeakPolarHBondContact CB-OD1 3.36Å; N1762-N1786 PolarHBondContact N-OD1 3.22Å; N1762-N1786 PolarHBondContact O-OD1 3.28Å | ||
| 1763 | N | 96.1 | Very high | 92.3 | Very high | 56.4 Ų | 56.4 | 42 Ų | 42 | 30% | 0.302 | 21% | 0.211 | S | C | . | . | trans | -108.2 | 21.5 | 179.4 | -76.3 | -87.8 | 0 | 0 | 0 | 112.3 | L1740 S1741 V1765 N1786 K1787 | L1740-N1763 CarbonylContact O-C 3.4Å; L1740-N1763 VanDerWaalsContact O-C 3.24Å; L1740-N1763 VanDerWaalsContact O-CA 3.26Å; L1740-N1763 WeakPolarHBondContact O-CA 3.43Å; L1740-N1763 WeakPolarHBondContact O-CB 3.22Å; L1740-N1763 PolarHBondContact O-N 3.08Å; S1741-N1763 WeakPolarHBondContact CA-O 3.23Å; N1763-V1765 PolarHBondContact O-N 3.2Å; N1763-N1786 PolarHBondContact N-OD1 3.06Å; N1763-K1787 PolarHBondContact OD1-NZ 2.86Å | ||
| 1764 | I | 96.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -68.5 | 117.6 | -167.3 | -54.6 | 166.8 | 0 | 0 | 0 | 110 | L1740 S1741 L1743 L1759 N1762 I1767 L1783 N1786 K1787 L1788 | L1740-I1764 HydrophobicContact CB-CG1 4.24Å; L1740-I1764 WeakPolarHBondContact O-CG1 3.26Å; L1740-I1764 PolarHBondContact O-N 2.88Å; L1740-I1764 VanDerWaalsContact O-N 3.14Å; S1741-I1764 WeakPolarHBondContact O-CA 3.26Å; L1743-I1764 HydrophobicContact CD1-CD1 4.22Å; L1743-I1764 HydrophobicContact CD2-CD1 3.97Å; L1743-I1764 HydrophobicContact CD2-CG1 4.43Å; L1743-I1764 HydrophobicContact CG-CD1 4.13Å; L1743-I1764 HydrophobicContact CG-CG2 4.12Å; L1759-I1764 HydrophobicContact CB-CD1 4.03Å; L1759-I1764 HydrophobicContact CD1-CD1 4.43Å; N1762-I1764 HydrophobicContact CB-CD1 4.12Å; N1762-I1764 HydrophobicContact CB-CG1 3.95Å; I1764-I1767 HydrophobicContact CG2-CG1 4.06Å; I1764-L1783 HydrophobicContact CD1-CD2 4.07Å; I1764-N1786 HydrophobicContact CB-CB 4.36Å; I1764-N1786 VanDerWaalsContact CB-OD1 3.31Å; I1764-N1786 WeakPolarHBondContact CB-OD1 3.31Å; I1764-N1786 WeakPolarHBondContact CG1-OD1 3.28Å; I1764-N1786 PolarHBondContact N-OD1 3.06Å; I1764-K1787 CarbonylContact O-C 3.22Å; I1764-K1787 VanDerWaalsContact O-C 3.31Å; I1764-K1787 WeakPolarHBondContact O-CA 3.22Å; I1764-K1787 PolarHBondContact O-N 3.27Å; I1764-L1788 HydrophobicContact CB-CD2 4.33Å; I1764-L1788 HydrophobicContact CG2-CD2 3.75Å; I1764-L1788 PolarHBondContact O-N 2.96Å | ||
| 1765 | V | 94.5 | Very high | 92.1 | Very high | 46.6 Ų | 46.6 | 36.9 Ų | 36.9 | 28% | 0.282 | 20% | 0.195 | S | C | . | . | trans | -96.4 | -43.5 | 174.6 | -174.1 | 0 | 0 | 0 | 0 | 111 | S1741 N1763 K1787 L1788 E1789 | S1741-V1765 PolarHBondContact O-N 2.93Å; N1763-V1765 PolarHBondContact O-N 3.2Å; V1765-K1787 WeakPolarHBondContact CA-O 3.36Å; V1765-K1787 HydrophobicContact CG2-CB 3.98Å; V1765-L1788 WeakPolarHBondContact O-CA 3.37Å; V1765-E1789 HydrophobicContact CG1-CG 4.34Å | ||
| 1766 | N | 90.4 | Very high | 92.1 | Very high | 95.6 Ų | 95.6 | 36.6 Ų | 36.6 | 51% | 0.511 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 142.2 | -172.1 | -69.8 | -36.6 | 0 | 0 | 0 | 112.1 | R1742 L1743 | R1742-N1766 VanDerWaalsContact CA-O 3.31Å; R1742-N1766 WeakPolarHBondContact CA-O 3.32Å; L1743-N1766 PolarHBondContact N-O 3.05Å; L1743-N1766 VanDerWaalsContact N-O 3.12Å |
| 1767 | I | 93.4 | Very high | 92.1 | Very high | 13.4 Ų | 13.4 | 37.2 Ų | 37.2 | 7% | 0.069 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 123 | 175.8 | -57.4 | 178.6 | 0 | 0 | 0 | 108.4 | L1743 I1764 A1771 F1772 L1783 L1788 L1791 T1795 | L1743-I1767 HydrophobicContact CB-CG1 4.45Å; L1743-I1767 HydrophobicContact CB-CG2 4.24Å; L1743-I1767 HydrophobicContact CD1-CD1 4.17Å; L1743-I1767 HydrophobicContact CD1-CG1 4Å; L1743-I1767 HydrophobicContact CD1-CG2 4.27Å; L1743-I1767 HydrophobicContact CG-CG1 4.36Å; I1764-I1767 HydrophobicContact CG2-CG1 4.06Å; I1767-A1771 HydrophobicContact CG2-CB 3.68Å; I1767-F1772 HydrophobicContact CD1-CE2 4.47Å; I1767-F1772 HydrophobicContact CG2-CD2 4.43Å; I1767-F1772 HydrophobicContact CG2-CE2 3.92Å; I1767-L1783 HydrophobicContact CD1-CD1 3.82Å; I1767-L1783 HydrophobicContact CD1-CD2 4.21Å; I1767-L1788 HydrophobicContact CD1-CD1 4.08Å; I1767-L1788 HydrophobicContact CD1-CD2 3.74Å; I1767-L1788 HydrophobicContact CG1-CD2 3.75Å; I1767-L1791 HydrophobicContact CD1-CD2 4.17Å; I1767-T1795 HydrophobicContact CB-CG2 4.29Å; I1767-T1795 HydrophobicContact CG2-CG2 3.62Å |
| 1768 | A | 90.5 | Very high | 92 | Very high | 36 Ų | 36 | 37.1 Ų | 37.1 | 30% | 0.298 | 20% | 0.201 | S | C | . | . | trans | -62.4 | 144.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1743 N1770 A1771 | L1743-A1768 VanDerWaalsContact O-CB 3.28Å; L1743-A1768 WeakPolarHBondContact O-CB 3.31Å; L1743-A1768 PolarHBondContact O-N 3.23Å; L1743-A1768 VanDerWaalsContact O-N 3.1Å; A1768-N1770 PolarHBondContact O-N 3.04Å; A1768-A1771 HydrophobicContact CB-CB 4.33Å; A1768-A1771 VanDerWaalsContact O-CB 3.27Å; A1768-A1771 WeakPolarHBondContact O-CB 3.37Å; A1768-A1771 PolarHBondContact O-N 3.18Å | ||
| 1769 | S | 84.6 | Confident | 91.6 | Very high | 58 Ų | 58 | 37.7 Ų | 37.7 | 41% | 0.406 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -23.9 | -176.3 | 50.9 | 0 | 0 | 0 | 0 | 114.9 | S1794 T1795 | S1769-S1794 WeakPolarHBondContact CA-OG 3.41Å; S1769-S1794 VanDerWaalsContact CB-OG 3.28Å; S1769-S1794 WeakPolarHBondContact CB-OG 3.32Å; S1769-S1794 CarbonylContact O-C 3.41Å; S1769-S1794 PolarHBondContact O-OG 2.96Å; S1769-T1795 WeakPolarHBondContact O-CA 3.26Å |
| 1770 | N | 86.5 | Confident | 91 | Very high | 78.6 Ų | 78.6 | 38.3 Ų | 38.3 | 42% | 0.42 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | 14.1 | 177.4 | -26.2 | -30.3 | 0 | 0 | 0 | 113.7 | S1745 A1768 F1772 Y1773 | S1745-N1770 VanDerWaalsContact CB-ND2 3.28Å; S1745-N1770 WeakPolarHBondContact CB-ND2 3.39Å; S1745-N1770 WeakPolarHBondContact CB-OD1 3.02Å; A1768-N1770 PolarHBondContact O-N 3.04Å; N1770-F1772 VanDerWaalsContact C-N 3.26Å; N1770-F1772 PolarHBondContact O-N 3.09Å; N1770-F1772 VanDerWaalsContact O-N 3.11Å; N1770-Y1773 VanDerWaalsContact O-CB 3.26Å; N1770-Y1773 WeakPolarHBondContact O-CB 3.37Å; N1770-Y1773 PolarHBondContact O-N 3.15Å |
| 1771 | A | 90.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -40.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1743 I1767 A1768 | L1743-A1771 HydrophobicContact CB-CB 4.04Å; I1767-A1771 HydrophobicContact CG2-CB 3.68Å; A1768-A1771 HydrophobicContact CB-CB 4.33Å; A1768-A1771 VanDerWaalsContact O-CB 3.27Å; A1768-A1771 WeakPolarHBondContact O-CB 3.37Å; A1768-A1771 PolarHBondContact O-N 3.18Å |
| 1772 | F | 91.6 | Very high | 90.7 | Very high | 1.8 Ų | 1.8 | 34.5 Ų | 34.5 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 4.4 | -178.4 | -62 | -71.3 | 0 | 0 | 0 | 114 | L1743 F1748 L1759 I1767 N1770 S1774 V1775 L1778 L1781 L1783 T1795 F1796 Q1799 | L1743-F1772 HydrophobicContact CD1-CE1 4.3Å; L1743-F1772 HydrophobicContact CD1-CE2 4.06Å; L1743-F1772 HydrophobicContact CD1-CZ 3.51Å; L1743-F1772 VanDerWaalsContact CD1-CZ 3.48Å; F1748-F1772 HydrophobicContact CD2-CD1 4.11Å; F1748-F1772 HydrophobicContact CD2-CE1 4.19Å; F1748-F1772 HydrophobicContact CE2-CD1 4.15Å; F1748-F1772 AromaticContact CE2-CE1 3.75Å; F1748-F1772 HydrophobicContact CE2-CE1 3.75Å; F1748-F1772 HydrophobicContact CE2-CZ 4.36Å; F1748-F1772 HydrophobicContact CZ-CE1 4.4Å; L1759-F1772 HydrophobicContact CD1-CE1 4.36Å; L1759-F1772 HydrophobicContact CD1-CZ 4.29Å; I1767-F1772 HydrophobicContact CD1-CE2 4.47Å; I1767-F1772 HydrophobicContact CG2-CD2 4.43Å; I1767-F1772 HydrophobicContact CG2-CE2 3.92Å; N1770-F1772 VanDerWaalsContact C-N 3.26Å; N1770-F1772 PolarHBondContact O-N 3.09Å; N1770-F1772 VanDerWaalsContact O-N 3.11Å; F1772-S1774 PolarHBondContact O-N 3.02Å; F1772-S1774 VanDerWaalsContact O-N 3.13Å; F1772-V1775 HydrophobicContact CB-CG2 3.83Å; F1772-V1775 HydrophobicContact CD1-CG2 4Å; F1772-V1775 HydrophobicContact CG-CG2 4.42Å; F1772-V1775 WeakPolarHBondContact O-CG2 3.38Å; F1772-V1775 PolarHBondContact O-N 3.12Å; F1772-L1778 HydrophobicContact CD1-CD2 4.38Å; F1772-L1781 HydrophobicContact CD1-CD2 4.47Å; F1772-L1781 HydrophobicContact CD2-CD2 4.41Å; F1772-L1781 HydrophobicContact CE1-CD1 4.14Å; F1772-L1781 HydrophobicContact CE1-CD2 4.1Å; F1772-L1781 HydrophobicContact CE2-CD2 3.93Å; F1772-L1781 HydrophobicContact CZ-CD1 4.19Å; F1772-L1781 HydrophobicContact CZ-CD2 3.75Å; F1772-L1781 HydrophobicContact CZ-CG 4.46Å; F1772-L1783 HydrophobicContact CE2-CD1 4.25Å; F1772-L1783 HydrophobicContact CZ-CD1 4.25Å; F1772-T1795 HydrophobicContact CD2-CG2 4.37Å; F1772-T1795 HydrophobicContact CE2-CG2 4.46Å; F1772-F1796 AromaticContact CD2-CD1 3.93Å; F1772-F1796 HydrophobicContact CD2-CD1 4.01Å; F1772-F1796 AromaticContact CD2-CE1 3.74Å; F1772-F1796 HydrophobicContact CD2-CE1 3.74Å; F1772-F1796 HydrophobicContact CE2-CD1 4.32Å; F1772-F1796 AromaticContact CE2-CE1 3.65Å; F1772-F1796 HydrophobicContact CE2-CE1 3.65Å; F1772-F1796 HydrophobicContact CE2-CZ 4.47Å; F1772-Q1799 HydrophobicContact CB-CG 4.42Å; F1772-Q1799 VanDerWaalsContact CB-NE2 3.3Å; F1772-Q1799 PolarHBondContact O-NE2 3.05Å |
| 1773 | Y | 89.9 | Confident | 90.6 | Very high | 170.8 Ų | 170.8 | 34.2 Ų | 34.2 | 67% | 0.67 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -27.5 | -172.4 | -175.5 | -95.2 | 0 | 0 | 0 | 113.7 | N1770 V1775 | N1770-Y1773 VanDerWaalsContact O-CB 3.26Å; N1770-Y1773 WeakPolarHBondContact O-CB 3.37Å; N1770-Y1773 PolarHBondContact O-N 3.15Å; Y1773-V1775 VanDerWaalsContact C-N 3.33Å; Y1773-V1775 PolarHBondContact O-N 3.19Å |
| 1774 | S | 88.2 | Confident | 90.4 | Very high | 26.6 Ų | 26.6 | 31.5 Ų | 31.5 | 19% | 0.186 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -7.9 | 176.8 | 33.9 | 0 | 0 | 0 | 0 | 115.7 | F1748 F1772 P1776 | F1748-S1774 WeakPolarHBondContact O-CB 3.14Å; F1748-S1774 PolarHBondContact O-OG 3.15Å; F1772-S1774 PolarHBondContact O-N 3.02Å; F1772-S1774 VanDerWaalsContact O-N 3.13Å; S1774-P1776 VanDerWaalsContact O-CD 3.29Å; S1774-P1776 WeakPolarHBondContact O-CD 3.43Å |
| 1775 | V | 92.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | trans | -116.6 | 61.9 | -177.7 | -64.1 | 0 | 0 | 0 | 0 | 113.1 | F1748 L1751 L1754 F1772 Y1773 N1777 L1778 Q1799 | F1748-V1775 HydrophobicContact CB-CG1 4.04Å; L1751-V1775 HydrophobicContact CB-CG1 3.63Å; L1754-V1775 HydrophobicContact CB-CB 4.47Å; L1754-V1775 HydrophobicContact CB-CG1 4.17Å; L1754-V1775 HydrophobicContact CD2-CB 4.44Å; L1754-V1775 HydrophobicContact CD2-CG1 3.89Å; F1772-V1775 HydrophobicContact CB-CG2 3.83Å; F1772-V1775 HydrophobicContact CD1-CG2 4Å; F1772-V1775 HydrophobicContact CG-CG2 4.42Å; F1772-V1775 WeakPolarHBondContact O-CG2 3.38Å; F1772-V1775 PolarHBondContact O-N 3.12Å; Y1773-V1775 VanDerWaalsContact C-N 3.33Å; Y1773-V1775 PolarHBondContact O-N 3.19Å; V1775-N1777 VanDerWaalsContact C-N 3.29Å; V1775-N1777 PolarHBondContact O-N 3.06Å; V1775-N1777 VanDerWaalsContact O-N 3.14Å; V1775-L1778 HydrophobicContact CG2-CB 4.38Å; V1775-L1778 HydrophobicContact CG2-CD2 4.15Å; V1775-L1778 WeakPolarHBondContact O-CB 3.36Å; V1775-L1778 PolarHBondContact O-N 3.03Å; V1775-L1778 VanDerWaalsContact O-N 3.16Å; V1775-Q1799 PolarHBondContact O-NE2 2.88Å | ||
| 1776 | P | 90.5 | Very high | 90.4 | Very high | 48.2 Ų | 48.2 | 32.5 Ų | 32.5 | 31% | 0.313 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -11.6 | -172.6 | 30.6 | -38.1 | 0 | 0 | 0 | 114.7 | S1774 | S1774-P1776 VanDerWaalsContact O-CD 3.29Å; S1774-P1776 WeakPolarHBondContact O-CD 3.43Å |
| 1777 | N | 89.3 | Confident | 90.6 | Very high | 35.8 Ų | 35.8 | 31.7 Ų | 31.7 | 19% | 0.191 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 0.9 | 178.4 | -76.4 | -64.6 | 0 | 0 | 0 | 114.3 | T1752 L1754 Q1755 V1775 V1779 K1801 | T1752-N1777 PolarHBondContact O-ND2 3.2Å; L1754-N1777 CarbonylContact O-C 3.39Å; Q1755-N1777 HydrophobicContact CG-CB 4.37Å; V1775-N1777 VanDerWaalsContact C-N 3.29Å; V1775-N1777 PolarHBondContact O-N 3.06Å; V1775-N1777 VanDerWaalsContact O-N 3.14Å; N1777-V1779 WeakPolarHBondContact O-CG2 3.3Å; N1777-V1779 PolarHBondContact O-N 3.24Å; N1777-K1801 WeakPolarHBondContact OD1-CE 3.3Å; N1777-K1801 PolarHBondContact OD1-NZ 2.89Å |
| 1778 | L | 90.9 | Very high | 90.6 | Very high | 0.4 Ų | 0.4 | 31.1 Ų | 31.1 | 0% | 0.002 | 16% | 0.164 | C | C | . | . | trans | -58.7 | 128.2 | -176.7 | -166.7 | 66.3 | 0 | 0 | 0 | 111.4 | L1754 C1757 F1772 V1775 V1780 L1781 Q1799 K1801 L1802 | L1754-L1778 HydrophobicContact CD2-CD1 4.21Å; L1754-L1778 HydrophobicContact CG-CD1 4.35Å; L1754-L1778 WeakPolarHBondContact O-CA 3.21Å; L1754-L1778 PolarHBondContact O-N 3.02Å; L1754-L1778 VanDerWaalsContact O-N 3.08Å; C1757-L1778 HydrophobicContact CB-CD1 3.92Å; F1772-L1778 HydrophobicContact CD1-CD2 4.38Å; V1775-L1778 HydrophobicContact CG2-CB 4.38Å; V1775-L1778 HydrophobicContact CG2-CD2 4.15Å; V1775-L1778 WeakPolarHBondContact O-CB 3.36Å; V1775-L1778 PolarHBondContact O-N 3.03Å; V1775-L1778 VanDerWaalsContact O-N 3.16Å; L1778-V1780 WeakPolarHBondContact CD1-O 3.21Å; L1778-L1781 HydrophobicContact CD2-CB 4Å; L1778-L1781 HydrophobicContact CD2-CD1 4.37Å; L1778-L1781 HydrophobicContact CD2-CD2 4.07Å; L1778-L1781 HydrophobicContact CD2-CG 4.38Å; L1778-L1781 HydrophobicContact CG-CB 4.48Å; L1778-Q1799 HydrophobicContact CB-CB 4.44Å; L1778-Q1799 HydrophobicContact CB-CG 4.1Å; L1778-Q1799 HydrophobicContact CD2-CG 4.36Å; L1778-K1801 CarbonylContact O-C 3.43Å; L1778-L1802 HydrophobicContact CD2-CD1 4.43Å; L1778-L1802 HydrophobicContact CG-CD1 4.4Å; L1778-L1802 VanDerWaalsContact O-CA 3.3Å; L1778-L1802 WeakPolarHBondContact O-CA 3.42Å; L1778-L1802 PolarHBondContact O-N 3.12Å | ||
| 1779 | V | 85.6 | Confident | 90.6 | Very high | 16.8 Ų | 16.8 | 33.6 Ų | 33.6 | 10% | 0.102 | 17% | 0.17 | C | C | . | . | trans | -112.9 | -38.8 | -178.2 | -174.5 | 0 | 0 | 0 | 0 | 111.2 | P1232 F1235 Q1755 N1777 K1801 F1803 L1804 I1944 | P1232-V1779 HydrophobicContact CB-CG2 4.26Å; F1235-V1779 HydrophobicContact CD1-CB 4.36Å; F1235-V1779 HydrophobicContact CD1-CG1 4.2Å; Q1755-V1779 HydrophobicContact CB-CG2 4.15Å; Q1755-V1779 HydrophobicContact CG-CG2 4.33Å; Q1755-V1779 WeakPolarHBondContact O-CA 3.28Å; Q1755-V1779 WeakPolarHBondContact O-CB 3.49Å; Q1755-V1779 PolarHBondContact O-N 3.33Å; N1777-V1779 WeakPolarHBondContact O-CG2 3.3Å; N1777-V1779 PolarHBondContact O-N 3.24Å; V1779-K1801 WeakPolarHBondContact CA-O 2.99Å; V1779-K1801 HydrophobicContact CG2-CB 4.33Å; V1779-F1803 HydrophobicContact CG1-CB 3.8Å; V1779-F1803 PolarHBondContact O-N 3.06Å; V1779-L1804 PolarHBondContact O-N 3.16Å; V1779-L1804 VanDerWaalsContact O-N 3.13Å; V1779-I1944 HydrophobicContact CG1-CG2 4.2Å | ||
| 1780 | V | 83.7 | Confident | 90.7 | Very high | 13.4 Ų | 13.4 | 34.7 Ų | 34.7 | 8% | 0.081 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 123.2 | -179.5 | 179.3 | 0 | 0 | 0 | 0 | 109.4 | V1239 L1243 Q1755 Q1756 C1757 L1778 L1804 I1944 | V1239-V1780 HydrophobicContact CB-CG2 4.12Å; V1239-V1780 HydrophobicContact CG1-CB 4.31Å; V1239-V1780 HydrophobicContact CG1-CG1 4.02Å; V1239-V1780 HydrophobicContact CG1-CG2 3.9Å; L1243-V1780 HydrophobicContact CD1-CG1 4.13Å; Q1755-V1780 PolarHBondContact O-N 3.1Å; Q1756-V1780 WeakPolarHBondContact CA-O 3.29Å; Q1756-V1780 HydrophobicContact CB-CB 4.41Å; Q1756-V1780 HydrophobicContact CG-CB 4.17Å; Q1756-V1780 HydrophobicContact CG-CG1 4.3Å; C1757-V1780 PolarHBondContact N-O 3.15Å; L1778-V1780 WeakPolarHBondContact CD1-O 3.21Å; V1780-L1804 WeakPolarHBondContact CA-O 3.27Å; V1780-L1804 HydrophobicContact CG1-CB 4.44Å; V1780-L1804 HydrophobicContact CG1-CD2 4.27Å; V1780-L1804 HydrophobicContact CG2-CB 4.33Å; V1780-I1944 HydrophobicContact CB-CD1 4.09Å; V1780-I1944 HydrophobicContact CG2-CD1 3.52Å; V1780-I1944 HydrophobicContact CG2-CG1 3.81Å |
| 1781 | L | 92.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 121.8 | 173.1 | -179.9 | 56.7 | 0 | 0 | 0 | 110.1 | C1757 L1759 F1772 L1778 L1783 F1796 L1802 L1804 L1805 D1806 | C1757-L1781 HydrophobicContact CB-CD1 4.02Å; C1757-L1781 WeakPolarHBondContact O-CA 3.4Å; L1759-L1781 HydrophobicContact CD1-CD1 4.44Å; F1772-L1781 HydrophobicContact CD1-CD2 4.47Å; F1772-L1781 HydrophobicContact CD2-CD2 4.41Å; F1772-L1781 HydrophobicContact CE1-CD1 4.14Å; F1772-L1781 HydrophobicContact CE1-CD2 4.1Å; F1772-L1781 HydrophobicContact CE2-CD2 3.93Å; F1772-L1781 HydrophobicContact CZ-CD1 4.19Å; F1772-L1781 HydrophobicContact CZ-CD2 3.75Å; F1772-L1781 HydrophobicContact CZ-CG 4.46Å; L1778-L1781 HydrophobicContact CD2-CB 4Å; L1778-L1781 HydrophobicContact CD2-CD1 4.37Å; L1778-L1781 HydrophobicContact CD2-CD2 4.07Å; L1778-L1781 HydrophobicContact CD2-CG 4.38Å; L1778-L1781 HydrophobicContact CG-CB 4.48Å; L1781-L1783 HydrophobicContact CD1-CD1 4.43Å; L1781-L1783 HydrophobicContact CD1-CG 4.25Å; L1781-L1783 HydrophobicContact CD2-CD1 3.83Å; L1781-L1783 HydrophobicContact CD2-CG 4.4Å; L1781-L1783 HydrophobicContact CG-CD1 4.06Å; L1781-L1783 HydrophobicContact CG-CG 4.12Å; L1781-F1796 HydrophobicContact CD2-CD1 4.1Å; L1781-F1796 HydrophobicContact CD2-CE1 3.45Å; L1781-F1796 VanDerWaalsContact CD2-CE1 3.44Å; L1781-F1796 HydrophobicContact CD2-CZ 4.26Å; L1781-L1802 HydrophobicContact CB-CD1 3.94Å; L1781-L1804 PolarHBondContact N-O 2.94Å; L1781-L1805 HydrophobicContact CB-CD1 4.05Å; L1781-L1805 HydrophobicContact CD2-CD1 3.96Å; L1781-L1805 HydrophobicContact CG-CD1 4.02Å; L1781-L1805 CarbonylContact O-C 3.19Å; L1781-L1805 WeakPolarHBondContact O-CA 3.35Å; L1781-D1806 PolarHBondContact O-N 2.98Å |
| 1782 | D | 90.4 | Very high | 90.5 | Very high | 19 Ų | 19 | 35.3 Ų | 35.3 | 10% | 0.102 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 114.3 | 175.4 | 165.7 | 15.7 | 0 | 0 | 0 | 109.5 | C1757 S1758 L1759 K1760 S1784 D1806 Y2097 | C1757-D1782 PolarHBondContact O-N 2.99Å; S1758-D1782 WeakPolarHBondContact CB-OD2 3.4Å; S1758-D1782 PolarHBondContact OG-OD2 3.03Å; L1759-D1782 CarbonylContact C-O 3.26Å; L1759-D1782 WeakPolarHBondContact CA-O 3.27Å; L1759-D1782 WeakPolarHBondContact CB-O 3.22Å; L1759-D1782 PolarHBondContact N-O 2.96Å; K1760-D1782 WeakPolarHBondContact CA-OD1 3.34Å; K1760-D1782 WeakPolarHBondContact CB-OD1 3.38Å; K1760-D1782 VanDerWaalsContact CB-OD2 3.28Å; K1760-D1782 WeakPolarHBondContact CB-OD2 3.37Å; K1760-D1782 PolarHBondContact N-O 3.27Å; K1760-D1782 PolarHBondContact N-OD1 2.81Å; D1782-S1784 WeakPolarHBondContact OD1-CB 3.37Å; D1782-S1784 PolarHBondContact OD1-N 2.9Å; D1782-S1784 PolarHBondContact OD1-OG 3.07Å; D1782-D1806 HydrophobicContact CB-CB 4.42Å; D1782-Y2097 PolarHBondContact OD1-OH 3.38Å; D1782-Y2097 PolarHBondContact OD2-OH 2.69Å |
| 1783 | L | 95.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -118.4 | 17.6 | 177.7 | -78.6 | 164.5 | 0 | 0 | 0 | 111.1 | L1743 L1759 I1764 I1767 F1772 L1781 N1786 L1788 F1796 L1805 D1806 L1807 N1810 | L1743-L1783 HydrophobicContact CD1-CD2 4.3Å; L1759-L1783 HydrophobicContact CB-CD2 3.99Å; L1759-L1783 HydrophobicContact CD1-CD2 3.9Å; I1764-L1783 HydrophobicContact CD1-CD2 4.07Å; I1767-L1783 HydrophobicContact CD1-CD1 3.82Å; I1767-L1783 HydrophobicContact CD1-CD2 4.21Å; F1772-L1783 HydrophobicContact CE2-CD1 4.25Å; F1772-L1783 HydrophobicContact CZ-CD1 4.25Å; L1781-L1783 HydrophobicContact CD1-CD1 4.43Å; L1781-L1783 HydrophobicContact CD1-CG 4.25Å; L1781-L1783 HydrophobicContact CD2-CD1 3.83Å; L1781-L1783 HydrophobicContact CD2-CG 4.4Å; L1781-L1783 HydrophobicContact CG-CD1 4.06Å; L1781-L1783 HydrophobicContact CG-CG 4.12Å; L1783-N1786 WeakPolarHBondContact O-CB 3.43Å; L1783-N1786 PolarHBondContact O-ND2 3Å; L1783-L1788 HydrophobicContact CB-CD1 4.26Å; L1783-L1788 HydrophobicContact CD1-CD1 4.43Å; L1783-F1796 HydrophobicContact CD1-CE1 4.26Å; L1783-F1796 HydrophobicContact CD1-CZ 3.99Å; L1783-L1805 HydrophobicContact CD1-CD1 4.39Å; L1783-D1806 CarbonylContact C-O 3.23Å; L1783-D1806 WeakPolarHBondContact CA-O 3.25Å; L1783-D1806 WeakPolarHBondContact CB-O 3.42Å; L1783-D1806 PolarHBondContact N-O 3.12Å; L1783-L1807 HydrophobicContact CB-CD2 4.02Å; L1783-L1807 HydrophobicContact CD1-CD2 4.01Å; L1783-N1810 PolarHBondContact O-ND2 3.19Å; L1783-N1810 VanDerWaalsContact O-ND2 3.14Å | ||
| 1784 | S | 90.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -71.6 | 156 | -172.3 | 54.4 | 0 | 0 | 0 | 0 | 113.4 | K1760 N1761 D1782 N1786 D1806 S1808 Y2097 | K1760-S1784 CarbonylContact C-O 3.32Å; K1760-S1784 VanDerWaalsContact CA-O 3.24Å; K1760-S1784 WeakPolarHBondContact CA-O 3.37Å; K1760-S1784 VanDerWaalsContact CD-OG 3.3Å; K1760-S1784 WeakPolarHBondContact CD-OG 3.42Å; K1760-S1784 VanDerWaalsContact CG-OG 3.27Å; K1760-S1784 WeakPolarHBondContact CG-OG 3.26Å; K1760-S1784 PolarHBondContact NZ-OG 2.96Å; N1761-S1784 PolarHBondContact N-O 3.23Å; N1761-S1784 VanDerWaalsContact N-O 3.11Å; D1782-S1784 WeakPolarHBondContact OD1-CB 3.37Å; D1782-S1784 PolarHBondContact OD1-N 2.9Å; D1782-S1784 PolarHBondContact OD1-OG 3.07Å; S1784-N1786 VanDerWaalsContact C-N 3.33Å; S1784-N1786 PolarHBondContact O-N 3.09Å; S1784-N1786 PolarHBondContact O-ND2 3.09Å; S1784-N1786 VanDerWaalsContact O-ND2 3.17Å; S1784-D1806 WeakPolarHBondContact CB-OD1 3.46Å; S1784-D1806 WeakPolarHBondContact OG-CB 3.19Å; S1784-D1806 PolarHBondContact OG-OD1 2.82Å; S1784-D1806 VanDerWaalsContact OG-OD1 3.05Å; S1784-D1806 PolarHBondContact OG-OD2 3.33Å; S1784-S1808 CarbonylContact C-O 3.53Å; S1784-S1808 WeakPolarHBondContact CA-O 3.36Å; S1784-S1808 WeakPolarHBondContact CB-O 3.38Å; S1784-S1808 VanDerWaalsContact CB-OG 3.26Å; S1784-S1808 WeakPolarHBondContact CB-OG 3.38Å; S1784-Y2097 VanDerWaalsContact C-OH 3.24Å; S1784-Y2097 WeakPolarHBondContact CB-OH 3.43Å; S1784-Y2097 PolarHBondContact O-OH 2.81Å; S1784-Y2097 WeakPolarHBondContact OG-CE2 3.43Å; S1784-Y2097 PolarHBondContact OG-OH 3.13Å; S1784-Y2097 VanDerWaalsContact OG-OH 3.06Å | ||
| 1785 | H | 95 | Very high | 89.4 | Confident | 55.8 Ų | 55.8 | 30.3 Ų | 30.3 | 26% | 0.258 | 16% | 0.158 | S | C | . | . | S | Bend | trans | 54 | 49.1 | -173.6 | -53.9 | -88.2 | 0 | 0 | 0 | 112.9 | K1760 N1761 S1808 Y1809 Y2097 P2098 | K1760-H1785 VanDerWaalsContact CE-CD2 3.44Å; K1760-H1785 WeakPolarHBondContact CE-CD2 3.4Å; K1760-H1785 PolarHBondContact NZ-CD2 3.03Å; K1760-H1785 VanDerWaalsContact NZ-CD2 3.31Å; K1760-H1785 PolarHBondContact NZ-NE2 3.13Å; N1761-H1785 VanDerWaalsContact CA-O 3.27Å; N1761-H1785 WeakPolarHBondContact CA-O 3.32Å; N1761-H1785 HydrophobicContact CB-CB 4.33Å; N1761-H1785 PolarHBondContact N-O 2.85Å; N1761-H1785 VanDerWaalsContact ND2-CB 3.27Å; N1761-H1785 WeakPolarHBondContact ND2-CB 3.41Å; N1761-H1785 PolarHBondContact OD1-CD2 2.76Å; N1761-H1785 VanDerWaalsContact OD1-CD2 3.28Å; H1785-S1808 PolarHBondContact N-O 3.25Å; H1785-Y1809 CarbonylContact C-O 3.38Å; H1785-Y1809 VanDerWaalsContact CA-O 3.26Å; H1785-Y1809 WeakPolarHBondContact CA-O 3.23Å; H1785-Y1809 AromaticContact CD2-CD2 3.95Å; H1785-Y1809 AromaticContact CE1-CD1 3.75Å; H1785-Y1809 VanDerWaalsContact CE1-CD1 3.47Å; H1785-Y1809 WeakPolarHBondContact CE1-CD1 3.41Å; H1785-Y1809 AromaticContact CE1-CD2 3.44Å; H1785-Y1809 VanDerWaalsContact CE1-CD2 3.5Å; H1785-Y1809 WeakPolarHBondContact CE1-CD2 3.35Å; H1785-Y1809 AromaticContact CE1-CE2 3.73Å; H1785-Y1809 AromaticContact CE1-CG 3.43Å; H1785-Y1809 PolarHBondContact N-O 2.95Å; H1785-Y1809 WeakPolarHBondContact ND1-CB 3.2Å; H1785-Y1809 AromaticContact ND1-CD1 3.76Å; H1785-Y1809 WeakPolarHBondContact ND1-CD1 3.48Å; H1785-Y1809 AromaticContact ND1-CD2 3.77Å; H1785-Y1809 AromaticContact ND1-CG 3.42Å; H1785-Y1809 VanDerWaalsContact ND1-CG 3.31Å; H1785-Y1809 AromaticContact NE2-CD2 3.57Å; H1785-Y1809 WeakPolarHBondContact NE2-CD2 3.48Å; H1785-Y1809 AromaticContact NE2-CE2 3.95Å; H1785-Y1809 AromaticContact NE2-CG 3.93Å; H1785-Y2097 HydrophobicContact CB-CE1 3.88Å; H1785-Y2097 AromaticContact CD2-CD1 3.62Å; H1785-Y2097 AromaticContact CD2-CE1 3.26Å; H1785-Y2097 WeakPolarHBondContact CD2-CE1 3.4Å; H1785-Y2097 AromaticContact CE1-CD1 3.95Å; H1785-Y2097 AromaticContact CG-CD1 3.92Å; H1785-Y2097 AromaticContact CG-CE1 3.47Å; H1785-Y2097 VanDerWaalsContact CG-CE1 3.47Å; H1785-Y2097 AromaticContact NE2-CD1 3.66Å; H1785-Y2097 AromaticContact NE2-CE1 3.83Å; H1785-P2098 WeakPolarHBondContact NE2-CD 3.49Å |
| 1786 | N | 95.4 | Very high | 89.2 | Confident | 11 Ų | 11 | 30.3 Ų | 30.3 | 6% | 0.059 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -115.8 | -160.8 | 173.8 | -86.2 | -81.4 | 0 | 0 | 0 | 110 | L1759 N1762 N1763 I1764 L1783 S1784 L1788 Y1809 N1810 | L1759-N1786 PolarHBondContact O-ND2 3.02Å; N1762-N1786 VanDerWaalsContact CA-OD1 3.31Å; N1762-N1786 WeakPolarHBondContact CA-OD1 3.3Å; N1762-N1786 VanDerWaalsContact CB-OD1 3.28Å; N1762-N1786 WeakPolarHBondContact CB-OD1 3.36Å; N1762-N1786 PolarHBondContact N-OD1 3.22Å; N1762-N1786 PolarHBondContact O-OD1 3.28Å; N1763-N1786 PolarHBondContact N-OD1 3.06Å; I1764-N1786 HydrophobicContact CB-CB 4.36Å; I1764-N1786 VanDerWaalsContact CB-OD1 3.31Å; I1764-N1786 WeakPolarHBondContact CB-OD1 3.31Å; I1764-N1786 WeakPolarHBondContact CG1-OD1 3.28Å; I1764-N1786 PolarHBondContact N-OD1 3.06Å; L1783-N1786 WeakPolarHBondContact O-CB 3.43Å; L1783-N1786 PolarHBondContact O-ND2 3Å; S1784-N1786 VanDerWaalsContact C-N 3.33Å; S1784-N1786 PolarHBondContact O-N 3.09Å; S1784-N1786 PolarHBondContact O-ND2 3.09Å; S1784-N1786 VanDerWaalsContact O-ND2 3.17Å; N1786-L1788 HydrophobicContact CB-CG 4.34Å; N1786-Y1809 PolarHBondContact N-O 3.09Å; N1786-N1810 VanDerWaalsContact CA-OD1 3.31Å; N1786-N1810 WeakPolarHBondContact CA-OD1 3.33Å; N1786-N1810 WeakPolarHBondContact CB-OD1 3.45Å; N1786-N1810 PolarHBondContact N-OD1 3.04Å; N1786-N1810 PolarHBondContact O-OD1 2.86Å |
| 1787 | K | 95.4 | Very high | 88.7 | Confident | 79.2 Ų | 79.2 | 32.8 Ų | 32.8 | 34% | 0.344 | 17% | 0.168 | S | C | . | . | trans | -125.3 | 27.9 | -175.5 | -65.6 | 171.7 | 180 | 170.7 | 0 | 111.3 | N1763 I1764 V1765 E1789 N1810 | N1763-K1787 PolarHBondContact OD1-NZ 2.86Å; I1764-K1787 CarbonylContact O-C 3.22Å; I1764-K1787 VanDerWaalsContact O-C 3.31Å; I1764-K1787 WeakPolarHBondContact O-CA 3.22Å; I1764-K1787 PolarHBondContact O-N 3.27Å; V1765-K1787 WeakPolarHBondContact CA-O 3.36Å; V1765-K1787 HydrophobicContact CG2-CB 3.98Å; K1787-E1789 WeakPolarHBondContact O-CG 3.4Å; K1787-E1789 PolarHBondContact O-N 3.2Å; K1787-N1810 PolarHBondContact N-OD1 3Å; K1787-N1810 VanDerWaalsContact N-OD1 3.14Å | ||
| 1788 | L | 93.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -67 | 115 | -175.9 | -59.6 | 173.4 | 0 | 0 | 0 | 110.6 | I1764 V1765 I1767 L1783 N1786 L1791 L1807 N1810 R1811 L1812 | I1764-L1788 HydrophobicContact CB-CD2 4.33Å; I1764-L1788 HydrophobicContact CG2-CD2 3.75Å; I1764-L1788 PolarHBondContact O-N 2.96Å; V1765-L1788 WeakPolarHBondContact O-CA 3.37Å; I1767-L1788 HydrophobicContact CD1-CD1 4.08Å; I1767-L1788 HydrophobicContact CD1-CD2 3.74Å; I1767-L1788 HydrophobicContact CG1-CD2 3.75Å; L1783-L1788 HydrophobicContact CB-CD1 4.26Å; L1783-L1788 HydrophobicContact CD1-CD1 4.43Å; N1786-L1788 HydrophobicContact CB-CG 4.34Å; L1788-L1791 HydrophobicContact CD1-CD2 4.45Å; L1788-L1807 HydrophobicContact CD1-CD2 3.86Å; L1788-N1810 HydrophobicContact CB-CB 4.28Å; L1788-N1810 VanDerWaalsContact CB-OD1 3.3Å; L1788-N1810 WeakPolarHBondContact CB-OD1 3.37Å; L1788-N1810 VanDerWaalsContact CG-OD1 3.29Å; L1788-N1810 WeakPolarHBondContact CG-OD1 3.31Å; L1788-N1810 PolarHBondContact N-OD1 3.04Å; L1788-R1811 CarbonylContact O-C 3.35Å; L1788-R1811 VanDerWaalsContact O-CA 3.25Å; L1788-R1811 WeakPolarHBondContact O-CA 3.31Å; L1788-R1811 WeakPolarHBondContact O-CB 3.41Å; L1788-R1811 PolarHBondContact O-N 3.03Å; L1788-L1812 HydrophobicContact CB-CD2 3.91Å; L1788-L1812 HydrophobicContact CB-CG 4.4Å; L1788-L1812 WeakPolarHBondContact O-CD2 3.31Å; L1788-L1812 PolarHBondContact O-N 3.26Å; L1788-L1812 VanDerWaalsContact O-N 3.12Å | ||
| 1789 | E | 89.3 | Confident | 88.3 | Confident | 89.4 Ų | 89.4 | 32.1 Ų | 32.1 | 42% | 0.418 | 17% | 0.168 | S | C | . | . | trans | -94.9 | -30.3 | -178 | -65.5 | 179.8 | 173 | 0 | 0 | 112.2 | V1765 K1787 R1811 S1813 | V1765-E1789 HydrophobicContact CG1-CG 4.34Å; K1787-E1789 WeakPolarHBondContact O-CG 3.4Å; K1787-E1789 PolarHBondContact O-N 3.2Å; E1789-R1811 HydrophobicContact CB-CB 4.45Å; E1789-R1811 HydrophobicContact CG-CB 3.73Å; E1789-R1811 HydrophobicContact CG-CG 4.36Å; E1789-R1811 VanDerWaalsContact OE1-CD 3.27Å; E1789-R1811 WeakPolarHBondContact OE1-CD 3.37Å; E1789-R1811 IonicContact OE1-CZ 3.36Å; E1789-R1811 IonicContact OE1-NE 2.79Å; E1789-R1811 IonicContact OE1-NH1 3.14Å; E1789-R1811 PolarHBondContact OE1-NH1 3.03Å; E1789-S1813 PolarHBondContact O-N 3.11Å | ||
| 1790 | E | 86.8 | Confident | 88.2 | Confident | 81.4 Ų | 81.4 | 33.9 Ų | 33.9 | 38% | 0.38 | 18% | 0.18 | S | C | . | . | trans | -145 | 166.2 | 167.3 | 62.7 | 165 | -148 | 0 | 0 | 112.1 | Q1792 R1814 | E1790-Q1792 PolarHBondContact OE1-NE2 3.02Å; E1790-R1814 IonicContact OE2-CZ 3.75Å; E1790-R1814 IonicContact OE2-NE 2.66Å; E1790-R1814 IonicContact OE2-NH2 3.01Å; E1790-R1814 PolarHBondContact OE2-NH2 3.06Å | ||
| 1791 | L | 87.4 | Confident | 88.3 | Confident | 9 Ų | 9 | 37.1 Ų | 37.1 | 5% | 0.047 | 19% | 0.193 | C | C | . | . | trans | -118.5 | 144.1 | 167 | -69.3 | 170.4 | 0 | 0 | 0 | 108.8 | I1767 L1788 F1796 L1807 L1812 P1816 A1819 | I1767-L1791 HydrophobicContact CD1-CD2 4.17Å; L1788-L1791 HydrophobicContact CD1-CD2 4.45Å; L1791-F1796 HydrophobicContact CD1-CE2 4.18Å; L1791-F1796 HydrophobicContact CD2-CE2 4.25Å; L1791-F1796 HydrophobicContact CD2-CZ 4.39Å; L1791-L1807 HydrophobicContact CD1-CD1 3.79Å; L1791-L1807 HydrophobicContact CD1-CD2 4.26Å; L1791-L1812 HydrophobicContact CD1-CD1 4.17Å; L1791-L1812 HydrophobicContact CD1-CD2 4.37Å; L1791-L1812 HydrophobicContact CG-CD1 4.36Å; L1791-L1812 HydrophobicContact CG-CD2 3.95Å; L1791-P1816 HydrophobicContact CB-CG 4.19Å; L1791-P1816 VanDerWaalsContact O-CG 3.23Å; L1791-P1816 WeakPolarHBondContact O-CG 3.27Å; L1791-A1819 HydrophobicContact CB-CB 4.23Å | ||
| 1792 | Q | 85.6 | Confident | 87.9 | Confident | 81.4 Ų | 81.4 | 37.1 Ų | 37.1 | 38% | 0.38 | 19% | 0.193 | S | C | . | . | trans | -85.4 | 144 | 178.7 | -72.5 | -69.8 | -39.7 | 0 | 0 | 110.7 | E1790 S1794 T1795 A1819 | E1790-Q1792 PolarHBondContact OE1-NE2 3.02Å; Q1792-S1794 PolarHBondContact O-N 3.07Å; Q1792-T1795 PolarHBondContact N-OG1 2.96Å; Q1792-T1795 WeakPolarHBondContact O-CB 3.25Å; Q1792-T1795 PolarHBondContact O-N 2.99Å; Q1792-T1795 PolarHBondContact O-OG1 3.08Å; Q1792-T1795 VanDerWaalsContact O-OG1 3.07Å; Q1792-A1819 VanDerWaalsContact O-CB 3.32Å; Q1792-A1819 WeakPolarHBondContact O-CB 3.3Å | ||
| 1793 | P | 80.1 | Confident | 87.4 | Confident | 53.6 Ų | 53.6 | 39.3 Ų | 39.3 | 35% | 0.348 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 28.6 | 176.2 | -30.2 | 37.2 | 0 | 0 | 0 | 115 | T1795 P1816 E1818 A1819 L2288 Y2290 | P1793-T1795 VanDerWaalsContact C-N 3.32Å; P1793-T1795 PolarHBondContact O-N 2.9Å; P1793-P1816 HydrophobicContact CB-CB 4.47Å; P1793-P1816 HydrophobicContact CG-CB 4.16Å; P1793-P1816 HydrophobicContact CG-CG 4.41Å; P1793-E1818 HydrophobicContact CB-CB 4.01Å; P1793-E1818 HydrophobicContact CB-CG 4.48Å; P1793-E1818 CarbonylContact O-C 3.55Å; P1793-E1818 VanDerWaalsContact O-C 3.26Å; P1793-A1819 WeakPolarHBondContact O-CA 3.25Å; P1793-A1819 PolarHBondContact O-N 3.25Å; P1793-L2288 HydrophobicContact CG-CD1 4.41Å; P1793-Y2290 WeakPolarHBondContact CB-OH 3.38Å |
| 1794 | S | 81.1 | Confident | 86.6 | Confident | 39 Ų | 39 | 40.4 Ų | 40.4 | 27% | 0.273 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | -2.6 | 179.5 | 15.6 | 0 | 0 | 0 | 0 | 115.7 | S1769 Q1792 F1796 I1797 E1818 | S1769-S1794 WeakPolarHBondContact CA-OG 3.41Å; S1769-S1794 VanDerWaalsContact CB-OG 3.28Å; S1769-S1794 WeakPolarHBondContact CB-OG 3.32Å; S1769-S1794 CarbonylContact O-C 3.41Å; S1769-S1794 PolarHBondContact O-OG 2.96Å; Q1792-S1794 PolarHBondContact O-N 3.07Å; S1794-F1796 VanDerWaalsContact C-N 3.3Å; S1794-F1796 PolarHBondContact O-N 3.18Å; S1794-F1796 VanDerWaalsContact O-N 3.1Å; S1794-I1797 VanDerWaalsContact O-CB 3.31Å; S1794-I1797 WeakPolarHBondContact O-CB 3.37Å; S1794-I1797 VanDerWaalsContact O-CG2 3.3Å; S1794-I1797 WeakPolarHBondContact O-CG2 3.37Å; S1794-I1797 PolarHBondContact O-N 3.01Å; S1794-E1818 VanDerWaalsContact CA-O 3.23Å; S1794-E1818 WeakPolarHBondContact CA-O 3.4Å; S1794-E1818 PolarHBondContact N-O 3.45Å |
| 1795 | T | 86.4 | Confident | 86.5 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.012 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -38.1 | -170.1 | -65 | 0 | 0 | 0 | 0 | 114.4 | I1767 S1769 F1772 Q1792 P1793 | I1767-T1795 HydrophobicContact CB-CG2 4.29Å; I1767-T1795 HydrophobicContact CG2-CG2 3.62Å; S1769-T1795 WeakPolarHBondContact O-CA 3.26Å; F1772-T1795 HydrophobicContact CD2-CG2 4.37Å; F1772-T1795 HydrophobicContact CE2-CG2 4.46Å; Q1792-T1795 PolarHBondContact N-OG1 2.96Å; Q1792-T1795 WeakPolarHBondContact O-CB 3.25Å; Q1792-T1795 PolarHBondContact O-N 2.99Å; Q1792-T1795 PolarHBondContact O-OG1 3.08Å; Q1792-T1795 VanDerWaalsContact O-OG1 3.07Å; P1793-T1795 VanDerWaalsContact C-N 3.32Å; P1793-T1795 PolarHBondContact O-N 2.9Å |
| 1796 | F | 86.9 | Confident | 86 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 18.9 | 177.9 | -48.2 | -68 | 0 | 0 | 0 | 114.4 | F1772 L1781 L1783 L1791 S1794 G1798 Q1799 L1802 L1805 A1819 L1820 | F1772-F1796 AromaticContact CD2-CD1 3.93Å; F1772-F1796 HydrophobicContact CD2-CD1 4.01Å; F1772-F1796 AromaticContact CD2-CE1 3.74Å; F1772-F1796 HydrophobicContact CD2-CE1 3.74Å; F1772-F1796 HydrophobicContact CE2-CD1 4.32Å; F1772-F1796 AromaticContact CE2-CE1 3.65Å; F1772-F1796 HydrophobicContact CE2-CE1 3.65Å; F1772-F1796 HydrophobicContact CE2-CZ 4.47Å; L1781-F1796 HydrophobicContact CD2-CD1 4.1Å; L1781-F1796 HydrophobicContact CD2-CE1 3.45Å; L1781-F1796 VanDerWaalsContact CD2-CE1 3.44Å; L1781-F1796 HydrophobicContact CD2-CZ 4.26Å; L1783-F1796 HydrophobicContact CD1-CE1 4.26Å; L1783-F1796 HydrophobicContact CD1-CZ 3.99Å; L1791-F1796 HydrophobicContact CD1-CE2 4.18Å; L1791-F1796 HydrophobicContact CD2-CE2 4.25Å; L1791-F1796 HydrophobicContact CD2-CZ 4.39Å; S1794-F1796 VanDerWaalsContact C-N 3.3Å; S1794-F1796 PolarHBondContact O-N 3.18Å; S1794-F1796 VanDerWaalsContact O-N 3.1Å; F1796-G1798 VanDerWaalsContact C-N 3.31Å; F1796-G1798 PolarHBondContact O-N 2.94Å; F1796-G1798 VanDerWaalsContact O-N 3.15Å; F1796-Q1799 PolarHBondContact O-N 3.1Å; F1796-Q1799 VanDerWaalsContact O-N 3.17Å; F1796-Q1799 PolarHBondContact O-OE1 3.06Å; F1796-Q1799 VanDerWaalsContact O-OE1 3.07Å; F1796-L1802 HydrophobicContact CB-CD2 4.1Å; F1796-L1802 HydrophobicContact CD1-CD2 4.38Å; F1796-L1802 HydrophobicContact CG-CD2 4.24Å; F1796-L1805 HydrophobicContact CD2-CD2 3.9Å; F1796-L1805 HydrophobicContact CE1-CD1 4.35Å; F1796-L1805 HydrophobicContact CE2-CD1 4.4Å; F1796-L1805 HydrophobicContact CE2-CD2 3.68Å; F1796-L1805 HydrophobicContact CG-CD2 4.24Å; F1796-L1805 HydrophobicContact CZ-CD1 4.04Å; F1796-L1805 HydrophobicContact CZ-CD2 4.16Å; F1796-A1819 WeakPolarHBondContact CA-O 3.38Å; F1796-A1819 VanDerWaalsContact CB-O 3.27Å; F1796-A1819 WeakPolarHBondContact CB-O 3.32Å; F1796-A1819 WeakPolarHBondContact CD2-O 3.37Å; F1796-A1819 PolarHBondContact N-O 3.25Å; F1796-L1820 HydrophobicContact CD2-CD2 4.32Å |
| 1797 | I | 81.2 | Confident | 85.8 | Confident | 102.6 Ų | 102.6 | 38.1 Ų | 38.1 | 53% | 0.526 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -25.9 | -178 | -154.9 | 170.4 | 0 | 0 | 0 | 112.6 | S1794 Q1799 N1821 | S1794-I1797 VanDerWaalsContact O-CB 3.31Å; S1794-I1797 WeakPolarHBondContact O-CB 3.37Å; S1794-I1797 VanDerWaalsContact O-CG2 3.3Å; S1794-I1797 WeakPolarHBondContact O-CG2 3.37Å; S1794-I1797 PolarHBondContact O-N 3.01Å; I1797-Q1799 VanDerWaalsContact C-N 3.32Å; I1797-Q1799 PolarHBondContact O-N 3.33Å; I1797-N1821 PolarHBondContact O-ND2 2.98Å |
| 1798 | G | 82 | Confident | 85.3 | Confident | 18.8 Ų | 18.8 | 34.5 Ų | 34.5 | 19% | 0.194 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -3.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | F1796 P1800 | F1796-G1798 VanDerWaalsContact C-N 3.31Å; F1796-G1798 PolarHBondContact O-N 2.94Å; F1796-G1798 VanDerWaalsContact O-N 3.15Å; G1798-P1800 VanDerWaalsContact C-CD 3.41Å; G1798-P1800 WeakPolarHBondContact O-CD 3.36Å |
| 1799 | Q | 89.4 | Confident | 85.2 | Confident | 1.6 Ų | 1.6 | 39 Ų | 39 | 1% | 0.007 | 20% | 0.2 | C | C | . | . | trans | -115.2 | 72.8 | -170.4 | -62.4 | 66.6 | 42.2 | 0 | 0 | 110.9 | F1772 V1775 L1778 F1796 I1797 K1801 L1802 N1821 | F1772-Q1799 HydrophobicContact CB-CG 4.42Å; F1772-Q1799 VanDerWaalsContact CB-NE2 3.3Å; F1772-Q1799 PolarHBondContact O-NE2 3.05Å; V1775-Q1799 PolarHBondContact O-NE2 2.88Å; L1778-Q1799 HydrophobicContact CB-CB 4.44Å; L1778-Q1799 HydrophobicContact CB-CG 4.1Å; L1778-Q1799 HydrophobicContact CD2-CG 4.36Å; F1796-Q1799 PolarHBondContact O-N 3.1Å; F1796-Q1799 VanDerWaalsContact O-N 3.17Å; F1796-Q1799 PolarHBondContact O-OE1 3.06Å; F1796-Q1799 VanDerWaalsContact O-OE1 3.07Å; I1797-Q1799 VanDerWaalsContact C-N 3.32Å; I1797-Q1799 PolarHBondContact O-N 3.33Å; Q1799-K1801 PolarHBondContact O-N 3.18Å; Q1799-L1802 HydrophobicContact CB-CB 4.01Å; Q1799-L1802 WeakPolarHBondContact O-CB 3.32Å; Q1799-L1802 PolarHBondContact O-N 3.08Å; Q1799-L1802 VanDerWaalsContact O-N 3.08Å; Q1799-N1821 PolarHBondContact O-ND2 2.96Å | ||
| 1800 | P | 84.4 | Confident | 85.3 | Confident | 55.2 Ų | 55.2 | 35.3 Ų | 35.3 | 36% | 0.358 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | 7.9 | -176.6 | 32.9 | -39.6 | 0 | 0 | 0 | 114.6 | G1798 R1823 | G1798-P1800 VanDerWaalsContact C-CD 3.41Å; G1798-P1800 WeakPolarHBondContact O-CD 3.36Å; P1800-R1823 WeakPolarHBondContact O-CD 3.35Å; P1800-R1823 PolarHBondContact O-NH1 3.1Å; P1800-R1823 VanDerWaalsContact O-NH1 3.15Å |
| 1801 | K | 84.5 | Confident | 85.5 | Confident | 79.4 Ų | 79.4 | 37.7 Ų | 37.7 | 35% | 0.345 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119 | -2.6 | 174.6 | -64.8 | -170.3 | -179.2 | 175.8 | 0 | 113.5 | N1777 L1778 V1779 Q1799 F1803 E2080 R2347 | N1777-K1801 WeakPolarHBondContact OD1-CE 3.3Å; N1777-K1801 PolarHBondContact OD1-NZ 2.89Å; L1778-K1801 CarbonylContact O-C 3.43Å; V1779-K1801 WeakPolarHBondContact CA-O 2.99Å; V1779-K1801 HydrophobicContact CG2-CB 4.33Å; Q1799-K1801 PolarHBondContact O-N 3.18Å; K1801-F1803 PolarHBondContact O-N 3.06Å; K1801-F1803 VanDerWaalsContact O-N 3.12Å; K1801-E2080 WeakPolarHBondContact CE-OE1 3.46Å; K1801-E2080 IonicContact NZ-OE1 3.14Å; K1801-E2080 PolarHBondContact NZ-OE1 3.11Å; K1801-R2347 VanDerWaalsContact NZ-NH1 3.13Å |
| 1802 | L | 84.8 | Confident | 85.5 | Confident | 0.6 Ų | 0.6 | 37.3 Ų | 37.3 | 0% | 0.003 | 19% | 0.186 | C | C | . | . | trans | -59.7 | 122.2 | -179.9 | -172 | 63.9 | 0 | 0 | 0 | 108.6 | L1778 L1781 F1796 Q1799 L1805 R1823 T1824 | L1778-L1802 HydrophobicContact CD2-CD1 4.43Å; L1778-L1802 HydrophobicContact CG-CD1 4.4Å; L1778-L1802 VanDerWaalsContact O-CA 3.3Å; L1778-L1802 WeakPolarHBondContact O-CA 3.42Å; L1778-L1802 PolarHBondContact O-N 3.12Å; L1781-L1802 HydrophobicContact CB-CD1 3.94Å; F1796-L1802 HydrophobicContact CB-CD2 4.1Å; F1796-L1802 HydrophobicContact CD1-CD2 4.38Å; F1796-L1802 HydrophobicContact CG-CD2 4.24Å; Q1799-L1802 HydrophobicContact CB-CB 4.01Å; Q1799-L1802 WeakPolarHBondContact O-CB 3.32Å; Q1799-L1802 PolarHBondContact O-N 3.08Å; Q1799-L1802 VanDerWaalsContact O-N 3.08Å; L1802-L1805 HydrophobicContact CD2-CB 4.35Å; L1802-L1805 HydrophobicContact CD2-CD2 4.38Å; L1802-R1823 CarbonylContact O-C 3.33Å; L1802-R1823 VanDerWaalsContact O-C 3.26Å; L1802-R1823 VanDerWaalsContact O-O 3.11Å; L1802-T1824 HydrophobicContact CD2-CG2 4.34Å; L1802-T1824 HydrophobicContact CG-CG2 4.34Å; L1802-T1824 VanDerWaalsContact O-CA 3.27Å; L1802-T1824 WeakPolarHBondContact O-CA 3.4Å; L1802-T1824 PolarHBondContact O-N 3.15Å; L1802-T1824 PolarHBondContact O-OG1 2.99Å | ||
| 1803 | F | 78.9 | Confident | 85.3 | Confident | 65 Ų | 65 | 35.8 Ų | 35.8 | 29% | 0.285 | 19% | 0.185 | S | C | . | . | trans | -114.8 | -48.1 | -174.4 | 177.3 | -92.1 | 0 | 0 | 0 | 110.3 | T1233 E1237 V1779 K1801 T1824 A1825 T1826 F1946 | T1233-F1803 HydrophobicContact CG2-CD2 3.92Å; T1233-F1803 HydrophobicContact CG2-CE2 3.93Å; E1237-F1803 HydrophobicContact CG-CE1 4.09Å; E1237-F1803 HydrophobicContact CG-CZ 3.64Å; V1779-F1803 HydrophobicContact CG1-CB 3.8Å; V1779-F1803 PolarHBondContact O-N 3.06Å; K1801-F1803 PolarHBondContact O-N 3.06Å; K1801-F1803 VanDerWaalsContact O-N 3.12Å; F1803-T1824 CarbonylContact O-C 3.41Å; F1803-A1825 HydrophobicContact CD1-CB 4.49Å; F1803-A1825 HydrophobicContact CD2-CB 3.54Å; F1803-A1825 VanDerWaalsContact CD2-CB 3.41Å; F1803-A1825 HydrophobicContact CE1-CB 4.35Å; F1803-A1825 HydrophobicContact CE2-CB 3.41Å; F1803-A1825 VanDerWaalsContact CE2-CB 3.45Å; F1803-A1825 HydrophobicContact CG-CB 4.2Å; F1803-A1825 HydrophobicContact CZ-CB 3.97Å; F1803-A1825 CarbonylContact O-C 3.43Å; F1803-A1825 WeakPolarHBondContact O-CA 3.42Å; F1803-A1825 WeakPolarHBondContact O-CB 3.18Å; F1803-A1825 PolarHBondContact O-N 3.13Å; F1803-T1826 PolarHBondContact O-N 3.17Å; F1803-F1946 HydrophobicContact CE2-CE2 4.44Å; F1803-F1946 HydrophobicContact CZ-CE2 4.45Å | ||
| 1804 | L | 78.8 | Confident | 85.1 | Confident | 23.4 Ų | 23.4 | 40 Ų | 40 | 12% | 0.123 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 129 | 176.1 | -170.1 | 153.4 | 0 | 0 | 0 | 110.3 | S1240 V1779 V1780 L1781 D1806 T1826 M1828 V1942 | S1240-L1804 VanDerWaalsContact CB-CD1 3.43Å; V1779-L1804 PolarHBondContact O-N 3.16Å; V1779-L1804 VanDerWaalsContact O-N 3.13Å; V1780-L1804 WeakPolarHBondContact CA-O 3.27Å; V1780-L1804 HydrophobicContact CG1-CB 4.44Å; V1780-L1804 HydrophobicContact CG1-CD2 4.27Å; V1780-L1804 HydrophobicContact CG2-CB 4.33Å; L1781-L1804 PolarHBondContact N-O 2.94Å; L1804-D1806 HydrophobicContact CD2-CB 4.3Å; L1804-T1826 CarbonylContact C-O 3.33Å; L1804-T1826 WeakPolarHBondContact CA-O 3.34Å; L1804-T1826 HydrophobicContact CD1-CG2 4.26Å; L1804-T1826 HydrophobicContact CG-CG2 4.36Å; L1804-M1828 HydrophobicContact CD1-CE 4.07Å; L1804-M1828 HydrophobicContact CD2-CE 4.1Å; L1804-M1828 HydrophobicContact CG-CE 4.34Å; L1804-V1942 HydrophobicContact CD1-CG1 4.45Å |
| 1805 | L | 88.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 113.1 | 174.4 | 174.7 | 60.4 | 0 | 0 | 0 | 109.3 | L1781 L1783 F1796 L1802 L1807 L1820 T1824 T1826 V1827 M1828 | L1781-L1805 HydrophobicContact CB-CD1 4.05Å; L1781-L1805 HydrophobicContact CD2-CD1 3.96Å; L1781-L1805 HydrophobicContact CG-CD1 4.02Å; L1781-L1805 CarbonylContact O-C 3.19Å; L1781-L1805 WeakPolarHBondContact O-CA 3.35Å; L1783-L1805 HydrophobicContact CD1-CD1 4.39Å; F1796-L1805 HydrophobicContact CD2-CD2 3.9Å; F1796-L1805 HydrophobicContact CE1-CD1 4.35Å; F1796-L1805 HydrophobicContact CE2-CD1 4.4Å; F1796-L1805 HydrophobicContact CE2-CD2 3.68Å; F1796-L1805 HydrophobicContact CG-CD2 4.24Å; F1796-L1805 HydrophobicContact CZ-CD1 4.04Å; F1796-L1805 HydrophobicContact CZ-CD2 4.16Å; L1802-L1805 HydrophobicContact CD2-CB 4.35Å; L1802-L1805 HydrophobicContact CD2-CD2 4.38Å; L1805-L1807 HydrophobicContact CD1-CD1 4.48Å; L1805-L1807 HydrophobicContact CD1-CD2 4.42Å; L1805-L1807 HydrophobicContact CD1-CG 4.23Å; L1805-L1807 HydrophobicContact CD2-CD1 3.88Å; L1805-L1807 HydrophobicContact CD2-CG 4.36Å; L1805-L1807 HydrophobicContact CG-CD1 4.04Å; L1805-L1807 HydrophobicContact CG-CG 4Å; L1805-L1820 HydrophobicContact CD2-CD2 3.59Å; L1805-L1820 VanDerWaalsContact CD2-CD2 3.47Å; L1805-T1824 HydrophobicContact CB-CG2 4.07Å; L1805-T1826 PolarHBondContact N-O 3.13Å; L1805-V1827 HydrophobicContact CB-CG1 4.4Å; L1805-V1827 HydrophobicContact CB-CG2 4.4Å; L1805-V1827 HydrophobicContact CD2-CG1 4.37Å; L1805-V1827 HydrophobicContact CD2-CG2 4.44Å; L1805-V1827 HydrophobicContact CG-CG1 4.33Å; L1805-V1827 CarbonylContact O-C 3.36Å; L1805-V1827 VanDerWaalsContact O-CA 3.28Å; L1805-V1827 WeakPolarHBondContact O-CA 3.38Å; L1805-M1828 PolarHBondContact O-N 3Å |
| 1806 | D | 86 | Confident | 84.2 | Confident | 18.6 Ų | 18.6 | 39.8 Ų | 39.8 | 10% | 0.099 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 118.7 | 174.6 | -167.1 | -11.3 | 0 | 0 | 0 | 110.4 | L1781 D1782 L1783 S1784 L1804 S1808 M1828 Y2097 | L1781-D1806 PolarHBondContact O-N 2.98Å; D1782-D1806 HydrophobicContact CB-CB 4.42Å; L1783-D1806 CarbonylContact C-O 3.23Å; L1783-D1806 WeakPolarHBondContact CA-O 3.25Å; L1783-D1806 WeakPolarHBondContact CB-O 3.42Å; L1783-D1806 PolarHBondContact N-O 3.12Å; S1784-D1806 WeakPolarHBondContact CB-OD1 3.46Å; S1784-D1806 WeakPolarHBondContact OG-CB 3.19Å; S1784-D1806 PolarHBondContact OG-OD1 2.82Å; S1784-D1806 VanDerWaalsContact OG-OD1 3.05Å; S1784-D1806 PolarHBondContact OG-OD2 3.33Å; L1804-D1806 HydrophobicContact CD2-CB 4.3Å; D1806-S1808 VanDerWaalsContact OD1-CB 3.25Å; D1806-S1808 WeakPolarHBondContact OD1-CB 3.26Å; D1806-S1808 PolarHBondContact OD1-N 2.99Å; D1806-S1808 PolarHBondContact OD1-OG 3.02Å; D1806-S1808 PolarHBondContact OD2-OG 3.39Å; D1806-M1828 HydrophobicContact CB-CB 4.36Å; D1806-M1828 HydrophobicContact CB-SD 4.47Å; D1806-M1828 WeakPolarHBondContact OD1-CB 3.32Å; D1806-Y2097 WeakPolarHBondContact OD2-CD2 3.48Å; D1806-Y2097 WeakPolarHBondContact OD2-CE2 3.38Å |
| 1807 | L | 90.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -122 | 13.3 | 176.8 | -68.1 | 165.3 | 0 | 0 | 0 | 111.3 | L1783 L1788 L1791 L1805 N1810 L1812 P1816 V1827 M1828 L1829 N1832 | L1783-L1807 HydrophobicContact CB-CD2 4.02Å; L1783-L1807 HydrophobicContact CD1-CD2 4.01Å; L1788-L1807 HydrophobicContact CD1-CD2 3.86Å; L1791-L1807 HydrophobicContact CD1-CD1 3.79Å; L1791-L1807 HydrophobicContact CD1-CD2 4.26Å; L1805-L1807 HydrophobicContact CD1-CD1 4.48Å; L1805-L1807 HydrophobicContact CD1-CD2 4.42Å; L1805-L1807 HydrophobicContact CD1-CG 4.23Å; L1805-L1807 HydrophobicContact CD2-CD1 3.88Å; L1805-L1807 HydrophobicContact CD2-CG 4.36Å; L1805-L1807 HydrophobicContact CG-CD1 4.04Å; L1805-L1807 HydrophobicContact CG-CG 4Å; L1807-N1810 WeakPolarHBondContact O-CB 3.43Å; L1807-N1810 PolarHBondContact O-ND2 3.1Å; L1807-N1810 VanDerWaalsContact O-ND2 3.08Å; L1807-L1812 HydrophobicContact CB-CD1 4.1Å; L1807-L1812 HydrophobicContact CD1-CD1 4.13Å; L1807-L1812 HydrophobicContact CD2-CD1 4.43Å; L1807-L1812 HydrophobicContact CG-CD1 4.46Å; L1807-P1816 HydrophobicContact CD1-CG 4.3Å; L1807-V1827 HydrophobicContact CD1-CG1 4.14Å; L1807-V1827 HydrophobicContact CG-CG1 4.44Å; L1807-M1828 CarbonylContact C-O 3.36Å; L1807-M1828 WeakPolarHBondContact CA-O 3.39Å; L1807-M1828 WeakPolarHBondContact CB-O 3.44Å; L1807-M1828 PolarHBondContact N-O 3.05Å; L1807-L1829 HydrophobicContact CB-CD2 4.07Å; L1807-L1829 HydrophobicContact CD1-CD2 4.12Å; L1807-N1832 PolarHBondContact O-ND2 3.17Å | ||
| 1808 | S | 85.2 | Confident | 82.7 | Confident | 3.2 Ų | 3.2 | 43.8 Ų | 43.8 | 2% | 0.022 | 20% | 0.204 | C | C | . | . | trans | -60.3 | 154.9 | -179.6 | 60.7 | 0 | 0 | 0 | 0 | 113 | S1784 H1785 D1806 N1810 M1828 Q1830 Y2097 | S1784-S1808 CarbonylContact C-O 3.53Å; S1784-S1808 WeakPolarHBondContact CA-O 3.36Å; S1784-S1808 WeakPolarHBondContact CB-O 3.38Å; S1784-S1808 VanDerWaalsContact CB-OG 3.26Å; S1784-S1808 WeakPolarHBondContact CB-OG 3.38Å; H1785-S1808 PolarHBondContact N-O 3.25Å; D1806-S1808 VanDerWaalsContact OD1-CB 3.25Å; D1806-S1808 WeakPolarHBondContact OD1-CB 3.26Å; D1806-S1808 PolarHBondContact OD1-N 2.99Å; D1806-S1808 PolarHBondContact OD1-OG 3.02Å; D1806-S1808 PolarHBondContact OD2-OG 3.39Å; S1808-N1810 PolarHBondContact O-N 3.16Å; S1808-N1810 PolarHBondContact O-ND2 3.04Å; S1808-N1810 VanDerWaalsContact O-ND2 3.16Å; S1808-M1828 PolarHBondContact N-O 3.14Å; S1808-Q1830 CarbonylContact C-O 3.45Å; S1808-Q1830 WeakPolarHBondContact CA-O 3.38Å; S1808-Q1830 VanDerWaalsContact CB-O 3.27Å; S1808-Q1830 WeakPolarHBondContact CB-O 3.29Å; S1808-Q1830 PolarHBondContact OG-NE2 2.96Å; S1808-Y2097 WeakPolarHBondContact OG-CD1 3.47Å | ||
| 1809 | Y | 91 | Very high | 82.3 | Confident | 94.6 Ų | 94.6 | 42.9 Ų | 42.9 | 37% | 0.371 | 20% | 0.195 | S | C | . | . | S | Bend | trans | 53.3 | 59.3 | -178.4 | -60.3 | -95.1 | 0 | 0 | 0 | 112.3 | H1785 N1786 Q1830 E1831 Y2097 P2098 S2099 L2100 | H1785-Y1809 CarbonylContact C-O 3.38Å; H1785-Y1809 VanDerWaalsContact CA-O 3.26Å; H1785-Y1809 WeakPolarHBondContact CA-O 3.23Å; H1785-Y1809 AromaticContact CD2-CD2 3.95Å; H1785-Y1809 AromaticContact CE1-CD1 3.75Å; H1785-Y1809 VanDerWaalsContact CE1-CD1 3.47Å; H1785-Y1809 WeakPolarHBondContact CE1-CD1 3.41Å; H1785-Y1809 AromaticContact CE1-CD2 3.44Å; H1785-Y1809 VanDerWaalsContact CE1-CD2 3.5Å; H1785-Y1809 WeakPolarHBondContact CE1-CD2 3.35Å; H1785-Y1809 AromaticContact CE1-CE2 3.73Å; H1785-Y1809 AromaticContact CE1-CG 3.43Å; H1785-Y1809 PolarHBondContact N-O 2.95Å; H1785-Y1809 WeakPolarHBondContact ND1-CB 3.2Å; H1785-Y1809 AromaticContact ND1-CD1 3.76Å; H1785-Y1809 WeakPolarHBondContact ND1-CD1 3.48Å; H1785-Y1809 AromaticContact ND1-CD2 3.77Å; H1785-Y1809 AromaticContact ND1-CG 3.42Å; H1785-Y1809 VanDerWaalsContact ND1-CG 3.31Å; H1785-Y1809 AromaticContact NE2-CD2 3.57Å; H1785-Y1809 WeakPolarHBondContact NE2-CD2 3.48Å; H1785-Y1809 AromaticContact NE2-CE2 3.95Å; H1785-Y1809 AromaticContact NE2-CG 3.93Å; N1786-Y1809 PolarHBondContact N-O 3.09Å; Y1809-Q1830 HydrophobicContact CE2-CG 4.36Å; Y1809-Q1830 PolarHBondContact N-O 3.08Å; Y1809-E1831 CarbonylContact C-O 3.2Å; Y1809-E1831 VanDerWaalsContact CA-O 3.31Å; Y1809-E1831 WeakPolarHBondContact CA-O 3.36Å; Y1809-E1831 HydrophobicContact CD1-CB 3.67Å; Y1809-E1831 HydrophobicContact CD1-CG 3.83Å; Y1809-E1831 HydrophobicContact CD2-CB 4.25Å; Y1809-E1831 HydrophobicContact CD2-CG 4.41Å; Y1809-E1831 HydrophobicContact CE1-CB 3.89Å; Y1809-E1831 HydrophobicContact CE1-CG 3.48Å; Y1809-E1831 VanDerWaalsContact CE1-CG 3.49Å; Y1809-E1831 HydrophobicContact CE2-CB 4.2Å; Y1809-E1831 HydrophobicContact CE2-CG 4.32Å; Y1809-E1831 HydrophobicContact CG-CB 3.92Å; Y1809-E1831 HydrophobicContact CG-CG 4.39Å; Y1809-E1831 PolarHBondContact N-O 3.19Å; Y1809-Y2097 AromaticContact CD2-CD1 3.92Å; Y1809-Y2097 HydrophobicContact CD2-CD1 3.92Å; Y1809-P2098 HydrophobicContact CE1-CG 3.9Å; Y1809-P2098 HydrophobicContact CE2-CG 3.94Å; Y1809-P2098 WeakPolarHBondContact CE2-O 3.19Å; Y1809-P2098 PolarHBondContact OH-O 3.46Å; Y1809-S2099 VanDerWaalsContact OH-C 3.29Å; Y1809-S2099 WeakPolarHBondContact OH-CA 3.37Å; Y1809-S2099 PolarHBondContact OH-N 3.26Å; Y1809-S2099 VanDerWaalsContact OH-N 3.09Å; Y1809-L2100 PolarHBondContact OH-N 3.05Å; Y1809-L2100 VanDerWaalsContact OH-N 3.11Å |
| 1810 | N | 90.9 | Very high | 81.5 | Confident | 11.6 Ų | 11.6 | 43.6 Ų | 43.6 | 6% | 0.062 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -131.1 | -162.9 | 176.6 | -88.3 | -78.3 | 0 | 0 | 0 | 109.6 | L1783 N1786 K1787 L1788 L1807 S1808 L1812 E1831 N1832 | L1783-N1810 PolarHBondContact O-ND2 3.19Å; L1783-N1810 VanDerWaalsContact O-ND2 3.14Å; N1786-N1810 VanDerWaalsContact CA-OD1 3.31Å; N1786-N1810 WeakPolarHBondContact CA-OD1 3.33Å; N1786-N1810 WeakPolarHBondContact CB-OD1 3.45Å; N1786-N1810 PolarHBondContact N-OD1 3.04Å; N1786-N1810 PolarHBondContact O-OD1 2.86Å; K1787-N1810 PolarHBondContact N-OD1 3Å; K1787-N1810 VanDerWaalsContact N-OD1 3.14Å; L1788-N1810 HydrophobicContact CB-CB 4.28Å; L1788-N1810 VanDerWaalsContact CB-OD1 3.3Å; L1788-N1810 WeakPolarHBondContact CB-OD1 3.37Å; L1788-N1810 VanDerWaalsContact CG-OD1 3.29Å; L1788-N1810 WeakPolarHBondContact CG-OD1 3.31Å; L1788-N1810 PolarHBondContact N-OD1 3.04Å; L1807-N1810 WeakPolarHBondContact O-CB 3.43Å; L1807-N1810 PolarHBondContact O-ND2 3.1Å; L1807-N1810 VanDerWaalsContact O-ND2 3.08Å; S1808-N1810 PolarHBondContact O-N 3.16Å; S1808-N1810 PolarHBondContact O-ND2 3.04Å; S1808-N1810 VanDerWaalsContact O-ND2 3.16Å; N1810-L1812 HydrophobicContact CB-CG 4.38Å; N1810-E1831 PolarHBondContact N-O 3.14Å; N1810-E1831 VanDerWaalsContact N-O 3.11Å; N1810-N1832 VanDerWaalsContact C-OD1 3.29Å; N1810-N1832 WeakPolarHBondContact CA-OD1 3.27Å; N1810-N1832 WeakPolarHBondContact CB-OD1 3.44Å; N1810-N1832 PolarHBondContact O-OD1 3.02Å |
| 1811 | R | 91.4 | Very high | 80.8 | Confident | 131.8 Ų | 131.8 | 42.4 Ų | 42.4 | 50% | 0.497 | 19% | 0.19 | S | C | . | . | trans | -121.6 | 21 | -177 | -64.2 | 178.9 | 168.9 | -160.6 | -7.5 | 112.3 | L1788 E1789 S1813 N1832 P1833 | L1788-R1811 CarbonylContact O-C 3.35Å; L1788-R1811 VanDerWaalsContact O-CA 3.25Å; L1788-R1811 WeakPolarHBondContact O-CA 3.31Å; L1788-R1811 WeakPolarHBondContact O-CB 3.41Å; L1788-R1811 PolarHBondContact O-N 3.03Å; E1789-R1811 HydrophobicContact CB-CB 4.45Å; E1789-R1811 HydrophobicContact CG-CB 3.73Å; E1789-R1811 HydrophobicContact CG-CG 4.36Å; E1789-R1811 VanDerWaalsContact OE1-CD 3.27Å; E1789-R1811 WeakPolarHBondContact OE1-CD 3.37Å; E1789-R1811 IonicContact OE1-CZ 3.36Å; E1789-R1811 IonicContact OE1-NE 2.79Å; E1789-R1811 IonicContact OE1-NH1 3.14Å; E1789-R1811 PolarHBondContact OE1-NH1 3.03Å; R1811-S1813 PolarHBondContact O-N 3.13Å; R1811-S1813 VanDerWaalsContact O-N 3.11Å; R1811-N1832 PolarHBondContact N-OD1 3.09Å; R1811-P1833 VanDerWaalsContact C-CD 3.48Å; R1811-P1833 WeakPolarHBondContact O-CG 3.23Å | ||
| 1812 | L | 87.9 | Confident | 79.9 | Confident | 0.4 Ų | 0.4 | 47.5 Ų | 47.5 | 0% | 0.002 | 21% | 0.206 | C | C | . | . | trans | -66 | 116.1 | -174.2 | -61.4 | 173.2 | 0 | 0 | 0 | 109.9 | L1788 L1791 L1807 N1810 R1814 I1815 L1829 N1832 P1833 L1834 | L1788-L1812 HydrophobicContact CB-CD2 3.91Å; L1788-L1812 HydrophobicContact CB-CG 4.4Å; L1788-L1812 WeakPolarHBondContact O-CD2 3.31Å; L1788-L1812 PolarHBondContact O-N 3.26Å; L1788-L1812 VanDerWaalsContact O-N 3.12Å; L1791-L1812 HydrophobicContact CD1-CD1 4.17Å; L1791-L1812 HydrophobicContact CD1-CD2 4.37Å; L1791-L1812 HydrophobicContact CG-CD1 4.36Å; L1791-L1812 HydrophobicContact CG-CD2 3.95Å; L1807-L1812 HydrophobicContact CB-CD1 4.1Å; L1807-L1812 HydrophobicContact CD1-CD1 4.13Å; L1807-L1812 HydrophobicContact CD2-CD1 4.43Å; L1807-L1812 HydrophobicContact CG-CD1 4.46Å; N1810-L1812 HydrophobicContact CB-CG 4.38Å; L1812-R1814 VanDerWaalsContact C-N 3.32Å; L1812-I1815 HydrophobicContact CD1-CG1 4.42Å; L1812-L1829 HydrophobicContact CD1-CD2 4.23Å; L1812-N1832 HydrophobicContact CB-CB 4.34Å; L1812-N1832 VanDerWaalsContact CB-OD1 3.28Å; L1812-N1832 WeakPolarHBondContact CB-OD1 3.36Å; L1812-N1832 WeakPolarHBondContact CG-OD1 3.37Å; L1812-N1832 PolarHBondContact N-OD1 3.2Å; L1812-P1833 CarbonylContact O-C 3.22Å; L1812-P1833 WeakPolarHBondContact O-CD 3.28Å; L1812-L1834 HydrophobicContact CB-CD2 4.22Å; L1812-L1834 WeakPolarHBondContact O-CB 3.09Å; L1812-L1834 WeakPolarHBondContact O-CD2 3.32Å; L1812-L1834 PolarHBondContact O-N 3.49Å | ||
| 1813 | S | 81 | Confident | 79 | Confident | 51.2 Ų | 51.2 | 54.2 Ų | 54.2 | 36% | 0.358 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -82.1 | -20.4 | 175.4 | 55.5 | 0 | 0 | 0 | 0 | 113.2 | E1789 R1811 P1833 L1834 V1835 | E1789-S1813 PolarHBondContact O-N 3.11Å; R1811-S1813 PolarHBondContact O-N 3.13Å; R1811-S1813 VanDerWaalsContact O-N 3.11Å; S1813-P1833 WeakPolarHBondContact CA-O 3.34Å; S1813-L1834 WeakPolarHBondContact O-CA 3.43Å; S1813-V1835 PolarHBondContact O-N 2.85Å |
| 1814 | R | 76.8 | Confident | 78.6 | Confident | 141.2 Ų | 141.2 | 51.2 Ų | 51.2 | 53% | 0.533 | 22% | 0.219 | S | C | . | . | trans | -157.9 | 159.1 | -176.7 | 42.3 | -175.1 | 174 | 173.1 | -1.5 | 110.3 | E1790 L1812 E1838 E2319 | E1790-R1814 IonicContact OE2-CZ 3.75Å; E1790-R1814 IonicContact OE2-NE 2.66Å; E1790-R1814 IonicContact OE2-NH2 3.01Å; E1790-R1814 PolarHBondContact OE2-NH2 3.06Å; L1812-R1814 VanDerWaalsContact C-N 3.32Å; R1814-E1838 VanDerWaalsContact CA-OE1 3.25Å; R1814-E1838 WeakPolarHBondContact CA-OE1 3.48Å; R1814-E1838 WeakPolarHBondContact CA-OE2 3.44Å; R1814-E1838 VanDerWaalsContact CB-OE1 3.23Å; R1814-E1838 WeakPolarHBondContact CB-OE1 3.15Å; R1814-E1838 WeakPolarHBondContact CD-OE1 3.21Å; R1814-E1838 WeakPolarHBondContact CG-OE1 3.5Å; R1814-E1838 IonicContact NE-OE1 3.96Å; R1814-E2319 IonicContact NH2-OE2 3.97Å | ||
| 1815 | I | 76.8 | Confident | 77.9 | Confident | 14.4 Ų | 14.4 | 51 Ų | 51 | 7% | 0.074 | 22% | 0.22 | C | C | . | . | trans | -117.2 | 120.2 | 175.9 | -60.7 | 168.7 | 0 | 0 | 0 | 109.2 | L1812 Y1817 L1820 L1829 L1834 E1838 I1840 M1842 I1843 | L1812-I1815 HydrophobicContact CD1-CG1 4.42Å; I1815-Y1817 HydrophobicContact CB-CD2 3.91Å; I1815-Y1817 HydrophobicContact CB-CE2 3.65Å; I1815-Y1817 HydrophobicContact CD1-CE2 4.22Å; I1815-Y1817 HydrophobicContact CG2-CD1 3.75Å; I1815-Y1817 HydrophobicContact CG2-CD2 3.5Å; I1815-Y1817 HydrophobicContact CG2-CE1 3.68Å; I1815-Y1817 HydrophobicContact CG2-CE2 3.43Å; I1815-Y1817 VanDerWaalsContact CG2-CE2 3.43Å; I1815-Y1817 HydrophobicContact CG2-CG 3.66Å; I1815-Y1817 PolarHBondContact O-N 3.09Å; I1815-L1820 HydrophobicContact CG2-CD1 4.15Å; I1815-L1820 HydrophobicContact CG2-CG 4.42Å; I1815-L1829 HydrophobicContact CD1-CD1 3.57Å; I1815-L1829 HydrophobicContact CD1-CD2 3.44Å; I1815-L1829 VanDerWaalsContact CD1-CD2 3.45Å; I1815-L1829 HydrophobicContact CD1-CG 4.03Å; I1815-L1829 HydrophobicContact CG1-CD1 3.97Å; I1815-L1829 HydrophobicContact CG1-CD2 4.45Å; I1815-L1834 HydrophobicContact CD1-CD1 4.07Å; I1815-L1834 HydrophobicContact CD1-CD2 3.96Å; I1815-L1834 HydrophobicContact CG1-CD1 4.11Å; I1815-L1834 HydrophobicContact CG1-CD2 4.14Å; I1815-E1838 WeakPolarHBondContact CD1-OE2 3.05Å; I1815-E1838 WeakPolarHBondContact CG1-OE2 3.15Å; I1815-E1838 PolarHBondContact N-OE1 2.91Å; I1815-E1838 PolarHBondContact N-OE2 2.99Å; I1815-I1840 HydrophobicContact CD1-CB 3.99Å; I1815-I1840 HydrophobicContact CD1-CD1 3.33Å; I1815-I1840 HydrophobicContact CD1-CG1 4.22Å; I1815-I1840 HydrophobicContact CD1-CG2 3.84Å; I1815-M1842 HydrophobicContact CB-CE 4.01Å; I1815-M1842 HydrophobicContact CB-SD 4.11Å; I1815-M1842 HydrophobicContact CD1-CE 4.44Å; I1815-M1842 HydrophobicContact CD1-SD 4.09Å; I1815-M1842 HydrophobicContact CG1-CE 4.19Å; I1815-M1842 HydrophobicContact CG2-CE 3.79Å; I1815-M1842 HydrophobicContact CG2-SD 4.29Å; I1815-I1843 HydrophobicContact CD1-CD1 4.09Å; I1815-I1843 HydrophobicContact CG1-CD1 4.24Å; I1815-I1843 HydrophobicContact CG2-CD1 3.52Å | ||
| 1816 | P | 70.1 | Confident | 77 | Confident | 21.6 Ų | 21.6 | 52.2 Ų | 52.2 | 14% | 0.14 | 23% | 0.227 | C | C | . | . | trans | -70.8 | 109.1 | 174.3 | 9.6 | -3 | 0 | 0 | 0 | 109.9 | L1791 P1793 L1807 E1818 A1819 L1820 | L1791-P1816 HydrophobicContact CB-CG 4.19Å; L1791-P1816 VanDerWaalsContact O-CG 3.23Å; L1791-P1816 WeakPolarHBondContact O-CG 3.27Å; P1793-P1816 HydrophobicContact CB-CB 4.47Å; P1793-P1816 HydrophobicContact CG-CB 4.16Å; P1793-P1816 HydrophobicContact CG-CG 4.41Å; L1807-P1816 HydrophobicContact CD1-CG 4.3Å; P1816-E1818 PolarHBondContact O-N 3.22Å; P1816-E1818 VanDerWaalsContact O-N 3.13Å; P1816-A1819 HydrophobicContact CB-CB 4.17Å; P1816-A1819 HydrophobicContact CG-CB 4.02Å; P1816-A1819 VanDerWaalsContact O-CB 3.25Å; P1816-A1819 WeakPolarHBondContact O-CB 3.2Å; P1816-A1819 PolarHBondContact O-N 3.06Å; P1816-A1819 VanDerWaalsContact O-N 3.16Å; P1816-L1820 WeakPolarHBondContact O-CG 3.43Å; P1816-L1820 PolarHBondContact O-N 2.94Å | ||
| 1817 | Y | 68.5 | Low | 76.6 | Confident | 80.8 Ų | 80.8 | 51.3 Ų | 51.3 | 32% | 0.317 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -56.5 | -34.4 | 176.5 | -173.7 | -97.2 | 0 | 0 | 0 | 111.9 | I1815 A1819 L1820 N1845 V1847 | I1815-Y1817 HydrophobicContact CB-CD2 3.91Å; I1815-Y1817 HydrophobicContact CB-CE2 3.65Å; I1815-Y1817 HydrophobicContact CD1-CE2 4.22Å; I1815-Y1817 HydrophobicContact CG2-CD1 3.75Å; I1815-Y1817 HydrophobicContact CG2-CD2 3.5Å; I1815-Y1817 HydrophobicContact CG2-CE1 3.68Å; I1815-Y1817 HydrophobicContact CG2-CE2 3.43Å; I1815-Y1817 VanDerWaalsContact CG2-CE2 3.43Å; I1815-Y1817 HydrophobicContact CG2-CG 3.66Å; I1815-Y1817 PolarHBondContact O-N 3.09Å; Y1817-A1819 VanDerWaalsContact C-N 3.29Å; Y1817-A1819 PolarHBondContact O-N 2.91Å; Y1817-L1820 WeakPolarHBondContact O-CB 3.49Å; Y1817-L1820 PolarHBondContact O-N 3.03Å; Y1817-L1820 VanDerWaalsContact O-N 3.11Å; Y1817-N1845 HydrophobicContact CD2-CB 4.29Å; Y1817-N1845 HydrophobicContact CE1-CB 4.29Å; Y1817-N1845 HydrophobicContact CE2-CB 3.62Å; Y1817-N1845 VanDerWaalsContact CE2-CB 3.42Å; Y1817-N1845 WeakPolarHBondContact OH-CB 3.41Å; Y1817-N1845 PolarHBondContact OH-OD1 2.96Å; Y1817-V1847 HydrophobicContact CE2-CG2 3.93Å |
| 1818 | E | 69.1 | Low | 76 | Confident | 106 Ų | 106 | 52.7 Ų | 52.7 | 50% | 0.495 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -64 | -26.1 | 176.4 | -59 | 111.9 | 164.5 | 0 | 0 | 113.6 | P1793 S1794 P1816 L1820 R2297 | P1793-E1818 HydrophobicContact CB-CB 4.01Å; P1793-E1818 HydrophobicContact CB-CG 4.48Å; P1793-E1818 CarbonylContact O-C 3.55Å; P1793-E1818 VanDerWaalsContact O-C 3.26Å; S1794-E1818 VanDerWaalsContact CA-O 3.23Å; S1794-E1818 WeakPolarHBondContact CA-O 3.4Å; S1794-E1818 PolarHBondContact N-O 3.45Å; P1816-E1818 PolarHBondContact O-N 3.22Å; P1816-E1818 VanDerWaalsContact O-N 3.13Å; E1818-L1820 VanDerWaalsContact C-N 3.26Å; E1818-L1820 PolarHBondContact O-N 2.98Å; E1818-R2297 IonicContact OE1-CZ 3.98Å; E1818-R2297 IonicContact OE1-NH1 3.32Å; E1818-R2297 PolarHBondContact OE1-NH1 3.32Å; E1818-R2297 VanDerWaalsContact OE1-NH1 3.14Å; E1818-R2297 IonicContact OE1-NH2 2.77Å; E1818-R2297 PolarHBondContact OE1-NH2 3.05Å; E1818-R2297 IonicContact OE2-CZ 2.63Å; E1818-R2297 IonicContact OE2-NH1 3.33Å; E1818-R2297 PolarHBondContact OE2-NH1 3.01Å; E1818-R2297 IonicContact OE2-NH2 2.97Å; E1818-R2297 PolarHBondContact OE2-NH2 2.95Å |
| 1819 | A | 72.6 | Confident | 75.7 | Confident | 0.6 Ų | 0.6 | 52.8 Ų | 52.8 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -74.6 | -23.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1791 Q1792 P1793 F1796 P1816 Y1817 | L1791-A1819 HydrophobicContact CB-CB 4.23Å; Q1792-A1819 VanDerWaalsContact O-CB 3.32Å; Q1792-A1819 WeakPolarHBondContact O-CB 3.3Å; P1793-A1819 WeakPolarHBondContact O-CA 3.25Å; P1793-A1819 PolarHBondContact O-N 3.25Å; F1796-A1819 WeakPolarHBondContact CA-O 3.38Å; F1796-A1819 VanDerWaalsContact CB-O 3.27Å; F1796-A1819 WeakPolarHBondContact CB-O 3.32Å; F1796-A1819 WeakPolarHBondContact CD2-O 3.37Å; F1796-A1819 PolarHBondContact N-O 3.25Å; P1816-A1819 HydrophobicContact CB-CB 4.17Å; P1816-A1819 HydrophobicContact CG-CB 4.02Å; P1816-A1819 VanDerWaalsContact O-CB 3.25Å; P1816-A1819 WeakPolarHBondContact O-CB 3.2Å; P1816-A1819 PolarHBondContact O-N 3.06Å; P1816-A1819 VanDerWaalsContact O-N 3.16Å; Y1817-A1819 VanDerWaalsContact C-N 3.29Å; Y1817-A1819 PolarHBondContact O-N 2.91Å |
| 1820 | L | 74.6 | Confident | 74.9 | Confident | 15.4 Ų | 15.4 | 49.7 Ų | 49.7 | 8% | 0.081 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -91.8 | 136.3 | -177.9 | -60.9 | 176 | 0 | 0 | 0 | 111 | F1796 L1805 I1815 P1816 Y1817 E1818 V1827 M1842 I1843 V1847 | F1796-L1820 HydrophobicContact CD2-CD2 4.32Å; L1805-L1820 HydrophobicContact CD2-CD2 3.59Å; L1805-L1820 VanDerWaalsContact CD2-CD2 3.47Å; I1815-L1820 HydrophobicContact CG2-CD1 4.15Å; I1815-L1820 HydrophobicContact CG2-CG 4.42Å; P1816-L1820 WeakPolarHBondContact O-CG 3.43Å; P1816-L1820 PolarHBondContact O-N 2.94Å; Y1817-L1820 WeakPolarHBondContact O-CB 3.49Å; Y1817-L1820 PolarHBondContact O-N 3.03Å; Y1817-L1820 VanDerWaalsContact O-N 3.11Å; E1818-L1820 VanDerWaalsContact C-N 3.26Å; E1818-L1820 PolarHBondContact O-N 2.98Å; L1820-V1827 HydrophobicContact CD1-CG2 4.26Å; L1820-V1827 HydrophobicContact CD2-CG1 4.48Å; L1820-V1827 HydrophobicContact CD2-CG2 4.24Å; L1820-M1842 HydrophobicContact CD1-CE 3.93Å; L1820-I1843 HydrophobicContact CD1-CD1 3.89Å; L1820-V1847 HydrophobicContact CD1-CG1 4.23Å |
| 1821 | N | 67.7 | Low | 74.4 | Confident | 31.2 Ų | 31.2 | 51.8 Ų | 51.8 | 17% | 0.167 | 23% | 0.228 | C | C | . | . | trans | -75.8 | 144 | 171.2 | -171.9 | -52.4 | 0 | 0 | 0 | 109.9 | I1797 Q1799 R1823 T1824 | I1797-N1821 PolarHBondContact O-ND2 2.98Å; Q1799-N1821 PolarHBondContact O-ND2 2.96Å; N1821-R1823 PolarHBondContact O-N 3.12Å; N1821-R1823 WeakPolarHBondContact OD1-CA 3.35Å; N1821-R1823 WeakPolarHBondContact OD1-CB 3.46Å; N1821-R1823 PolarHBondContact OD1-N 3.01Å; N1821-R1823 VanDerWaalsContact OD1-N 3.08Å; N1821-T1824 WeakPolarHBondContact O-CB 3.34Å; N1821-T1824 PolarHBondContact O-N 3.16Å; N1821-T1824 VanDerWaalsContact O-N 3.12Å; N1821-T1824 PolarHBondContact O-OG1 3.12Å; N1821-T1824 PolarHBondContact OD1-N 3.29Å; N1821-T1824 VanDerWaalsContact OD1-N 3.16Å; N1821-T1824 PolarHBondContact OD1-OG1 3.27Å | ||
| 1822 | R | 65.9 | Low | 73.8 | Confident | 185.2 Ų | 185.2 | 45.9 Ų | 45.9 | 70% | 0.699 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -0.9 | 176.1 | -64.2 | -173.7 | -179.8 | -169.8 | -0.8 | 114.9 | N1846 S2367 | R1822-N1846 PolarHBondContact O-ND2 2.89Å; R1822-S2367 PolarHBondContact NH1-OG 3.46Å; R1822-S2367 PolarHBondContact NH2-OG 3.15Å |
| 1823 | R | 67.2 | Low | 73.5 | Confident | 143 Ų | 143 | 49.3 Ų | 49.3 | 54% | 0.54 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | -8.4 | 177.4 | -69.4 | -178.9 | 168 | -164.9 | -3.5 | 114 | P1800 L1802 N1821 A1825 T2083 H2372 | P1800-R1823 WeakPolarHBondContact O-CD 3.35Å; P1800-R1823 PolarHBondContact O-NH1 3.1Å; P1800-R1823 VanDerWaalsContact O-NH1 3.15Å; L1802-R1823 CarbonylContact O-C 3.33Å; L1802-R1823 VanDerWaalsContact O-C 3.26Å; L1802-R1823 VanDerWaalsContact O-O 3.11Å; N1821-R1823 PolarHBondContact O-N 3.12Å; N1821-R1823 WeakPolarHBondContact OD1-CA 3.35Å; N1821-R1823 WeakPolarHBondContact OD1-CB 3.46Å; N1821-R1823 PolarHBondContact OD1-N 3.01Å; N1821-R1823 VanDerWaalsContact OD1-N 3.08Å; R1823-A1825 PolarHBondContact O-N 3.22Å; R1823-A1825 VanDerWaalsContact O-N 3.16Å; R1823-T2083 HydrophobicContact CB-CG2 3.89Å; R1823-T2083 HydrophobicContact CG-CG2 3.99Å; R1823-H2372 PolarHBondContact NH1-ND1 2.82Å; R1823-H2372 PolarHBondContact NH2-ND1 3.36Å |
| 1824 | T | 69.1 | Low | 73.2 | Confident | 1.6 Ų | 1.6 | 47.9 Ų | 47.9 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | trans | -67.9 | 102.9 | 176.7 | -51.1 | 0 | 0 | 0 | 0 | 109 | L1802 F1803 L1805 N1821 T1826 V1827 V1847 Y2086 | L1802-T1824 HydrophobicContact CD2-CG2 4.34Å; L1802-T1824 HydrophobicContact CG-CG2 4.34Å; L1802-T1824 VanDerWaalsContact O-CA 3.27Å; L1802-T1824 WeakPolarHBondContact O-CA 3.4Å; L1802-T1824 PolarHBondContact O-N 3.15Å; L1802-T1824 PolarHBondContact O-OG1 2.99Å; F1803-T1824 CarbonylContact O-C 3.41Å; L1805-T1824 HydrophobicContact CB-CG2 4.07Å; N1821-T1824 WeakPolarHBondContact O-CB 3.34Å; N1821-T1824 PolarHBondContact O-N 3.16Å; N1821-T1824 VanDerWaalsContact O-N 3.12Å; N1821-T1824 PolarHBondContact O-OG1 3.12Å; N1821-T1824 PolarHBondContact OD1-N 3.29Å; N1821-T1824 VanDerWaalsContact OD1-N 3.16Å; N1821-T1824 PolarHBondContact OD1-OG1 3.27Å; T1824-T1826 VanDerWaalsContact C-N 3.3Å; T1824-T1826 PolarHBondContact O-N 2.96Å; T1824-V1827 HydrophobicContact CG2-CG2 3.67Å; T1824-V1847 WeakPolarHBondContact O-CB 3.19Å; T1824-V1847 WeakPolarHBondContact O-CG1 3.4Å; T1824-V1847 WeakPolarHBondContact O-CG2 3.34Å; T1824-Y2086 PolarHBondContact O-OH 3.2Å | ||
| 1825 | A | 64.8 | Low | 72.8 | Confident | 18.6 Ų | 18.6 | 44.3 Ų | 44.3 | 15% | 0.154 | 21% | 0.21 | C | C | . | . | trans | -80.6 | -26.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | F1803 R1823 E1844 N1845 G1848 Y2086 | F1803-A1825 HydrophobicContact CD1-CB 4.49Å; F1803-A1825 HydrophobicContact CD2-CB 3.54Å; F1803-A1825 VanDerWaalsContact CD2-CB 3.41Å; F1803-A1825 HydrophobicContact CE1-CB 4.35Å; F1803-A1825 HydrophobicContact CE2-CB 3.41Å; F1803-A1825 VanDerWaalsContact CE2-CB 3.45Å; F1803-A1825 HydrophobicContact CG-CB 4.2Å; F1803-A1825 HydrophobicContact CZ-CB 3.97Å; F1803-A1825 CarbonylContact O-C 3.43Å; F1803-A1825 WeakPolarHBondContact O-CA 3.42Å; F1803-A1825 WeakPolarHBondContact O-CB 3.18Å; F1803-A1825 PolarHBondContact O-N 3.13Å; R1823-A1825 PolarHBondContact O-N 3.22Å; R1823-A1825 VanDerWaalsContact O-N 3.16Å; A1825-E1844 CarbonylContact O-C 3.51Å; A1825-E1844 WeakPolarHBondContact O-CA 3.48Å; A1825-N1845 PolarHBondContact O-N 2.85Å; A1825-G1848 VanDerWaalsContact O-CA 3.26Å; A1825-G1848 WeakPolarHBondContact O-CA 3.43Å; A1825-G1848 PolarHBondContact O-N 3.19Å; A1825-Y2086 WeakPolarHBondContact CA-OH 3.27Å; A1825-Y2086 PolarHBondContact O-OH 3.3Å; A1825-Y2086 VanDerWaalsContact O-OH 3.09Å | ||
| 1826 | T | 69.3 | Low | 71.8 | Confident | 24.6 Ų | 24.6 | 46.1 Ų | 46.1 | 15% | 0.151 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 124.2 | 179.9 | -53.4 | 0 | 0 | 0 | 0 | 110 | F1803 L1804 L1805 T1824 M1828 M1842 I1843 E1844 G1848 H1850 | F1803-T1826 PolarHBondContact O-N 3.17Å; L1804-T1826 CarbonylContact C-O 3.33Å; L1804-T1826 WeakPolarHBondContact CA-O 3.34Å; L1804-T1826 HydrophobicContact CD1-CG2 4.26Å; L1804-T1826 HydrophobicContact CG-CG2 4.36Å; L1805-T1826 PolarHBondContact N-O 3.13Å; T1824-T1826 VanDerWaalsContact C-N 3.3Å; T1824-T1826 PolarHBondContact O-N 2.96Å; T1826-M1828 HydrophobicContact CG2-CE 4.11Å; T1826-M1828 HydrophobicContact CG2-CG 4.34Å; T1826-M1842 HydrophobicContact CG2-CG 4.11Å; T1826-M1842 HydrophobicContact CG2-SD 3.61Å; T1826-I1843 CarbonylContact C-O 3.55Å; T1826-I1843 WeakPolarHBondContact CA-O 3.17Å; T1826-E1844 HydrophobicContact CG2-CG 4.17Å; T1826-G1848 CarbonylContact C-O 3.37Å; T1826-G1848 WeakPolarHBondContact CA-O 3.32Å; T1826-H1850 HydrophobicContact CG2-CB 4.06Å |
| 1827 | V | 78.4 | Confident | 71.1 | Confident | 0.6 Ų | 0.6 | 49.9 Ų | 49.9 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 120 | 170 | -168.9 | 0 | 0 | 0 | 0 | 109 | L1805 L1807 L1820 T1824 L1829 M1842 I1843 V1847 G1848 I1849 H1850 | L1805-V1827 HydrophobicContact CB-CG1 4.4Å; L1805-V1827 HydrophobicContact CB-CG2 4.4Å; L1805-V1827 HydrophobicContact CD2-CG1 4.37Å; L1805-V1827 HydrophobicContact CD2-CG2 4.44Å; L1805-V1827 HydrophobicContact CG-CG1 4.33Å; L1805-V1827 CarbonylContact O-C 3.36Å; L1805-V1827 VanDerWaalsContact O-CA 3.28Å; L1805-V1827 WeakPolarHBondContact O-CA 3.38Å; L1807-V1827 HydrophobicContact CD1-CG1 4.14Å; L1807-V1827 HydrophobicContact CG-CG1 4.44Å; L1820-V1827 HydrophobicContact CD1-CG2 4.26Å; L1820-V1827 HydrophobicContact CD2-CG1 4.48Å; L1820-V1827 HydrophobicContact CD2-CG2 4.24Å; T1824-V1827 HydrophobicContact CG2-CG2 3.67Å; V1827-L1829 HydrophobicContact CG1-CD1 4.42Å; V1827-L1829 HydrophobicContact CG1-CD2 3.7Å; V1827-L1829 HydrophobicContact CG1-CG 4Å; V1827-M1842 CarbonylContact O-C 3.27Å; V1827-M1842 WeakPolarHBondContact O-CA 3.37Å; V1827-M1842 WeakPolarHBondContact O-CG 3.49Å; V1827-I1843 HydrophobicContact CB-CB 3.94Å; V1827-I1843 HydrophobicContact CB-CD1 4.46Å; V1827-I1843 HydrophobicContact CB-CG1 4.39Å; V1827-I1843 HydrophobicContact CG2-CB 4.16Å; V1827-I1843 PolarHBondContact N-O 2.71Å; V1827-I1843 PolarHBondContact O-N 2.87Å; V1827-V1847 HydrophobicContact CG2-CG1 4.01Å; V1827-G1848 PolarHBondContact N-O 3.15Å; V1827-I1849 HydrophobicContact CB-CG1 4.24Å; V1827-I1849 CarbonylContact O-C 3.52Å; V1827-I1849 WeakPolarHBondContact O-CA 3.44Å; V1827-I1849 WeakPolarHBondContact O-CG2 3.09Å; V1827-H1850 PolarHBondContact O-N 2.99Å; V1827-H1850 VanDerWaalsContact O-N 3.1Å |
| 1828 | M | 77.1 | Confident | 70 | Confident | 29.8 Ų | 29.8 | 51.3 Ų | 51.3 | 15% | 0.147 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 126.2 | 176.7 | -58.6 | -158.7 | -174 | 0 | 0 | 109.7 | L1804 L1805 D1806 L1807 S1808 T1826 Q1830 M1842 H1850 H2094 | L1804-M1828 HydrophobicContact CD1-CE 4.07Å; L1804-M1828 HydrophobicContact CD2-CE 4.1Å; L1804-M1828 HydrophobicContact CG-CE 4.34Å; L1805-M1828 PolarHBondContact O-N 3Å; D1806-M1828 HydrophobicContact CB-CB 4.36Å; D1806-M1828 HydrophobicContact CB-SD 4.47Å; D1806-M1828 WeakPolarHBondContact OD1-CB 3.32Å; L1807-M1828 CarbonylContact C-O 3.36Å; L1807-M1828 WeakPolarHBondContact CA-O 3.39Å; L1807-M1828 WeakPolarHBondContact CB-O 3.44Å; L1807-M1828 PolarHBondContact N-O 3.05Å; S1808-M1828 PolarHBondContact N-O 3.14Å; T1826-M1828 HydrophobicContact CG2-CE 4.11Å; T1826-M1828 HydrophobicContact CG2-CG 4.34Å; M1828-Q1830 PolarHBondContact SD-NE2 3.04Å; M1828-M1842 HydrophobicContact CE-SD 3.43Å; M1828-M1842 WeakPolarHBondContact CE-SD 3.49Å; M1828-M1842 HydrophobicContact SD-CB 4.3Å; M1828-M1842 HydrophobicContact SD-CG 3.93Å; M1828-M1842 HydrophobicContact SD-SD 3.41Å; M1828-H1850 WeakPolarHBondContact CA-O 3.39Å; M1828-H1850 HydrophobicContact CG-CB 4.27Å; M1828-H2094 WeakPolarHBondContact CE-CE1 3.22Å; M1828-H2094 WeakPolarHBondContact CE-NE2 3.45Å |
| 1829 | L | 80.1 | Confident | 69 | Low | 3.8 Ų | 3.8 | 51.3 Ų | 51.3 | 2% | 0.02 | 26% | 0.256 | C | S | . | . | trans | -129.5 | 5.6 | -169.4 | -63.4 | 179.5 | 0 | 0 | 0 | 114.4 | L1807 L1812 I1815 V1827 N1832 L1834 V1835 I1840 H1841 M1842 I1843 I1849 H1850 V1851 | L1807-L1829 HydrophobicContact CB-CD2 4.07Å; L1807-L1829 HydrophobicContact CD1-CD2 4.12Å; L1812-L1829 HydrophobicContact CD1-CD2 4.23Å; I1815-L1829 HydrophobicContact CD1-CD1 3.57Å; I1815-L1829 HydrophobicContact CD1-CD2 3.44Å; I1815-L1829 VanDerWaalsContact CD1-CD2 3.45Å; I1815-L1829 HydrophobicContact CD1-CG 4.03Å; I1815-L1829 HydrophobicContact CG1-CD1 3.97Å; I1815-L1829 HydrophobicContact CG1-CD2 4.45Å; V1827-L1829 HydrophobicContact CG1-CD1 4.42Å; V1827-L1829 HydrophobicContact CG1-CD2 3.7Å; V1827-L1829 HydrophobicContact CG1-CG 4Å; L1829-N1832 WeakPolarHBondContact O-CB 3.34Å; L1829-N1832 PolarHBondContact O-ND2 3.16Å; L1829-L1834 HydrophobicContact CB-CD1 4.37Å; L1829-L1834 HydrophobicContact CD1-CD1 4.23Å; L1829-L1834 HydrophobicContact CD1-CD2 4.4Å; L1829-L1834 HydrophobicContact CD2-CD2 4.22Å; L1829-V1835 WeakPolarHBondContact O-CG2 3.22Å; L1829-I1840 HydrophobicContact CD1-CG2 4.14Å; L1829-H1841 CarbonylContact C-O 3.57Å; L1829-H1841 WeakPolarHBondContact CA-O 3.47Å; L1829-H1841 PolarHBondContact N-O 2.89Å; L1829-M1842 HydrophobicContact CD1-SD 4.47Å; L1829-I1843 HydrophobicContact CD1-CD1 3.7Å; L1829-I1843 HydrophobicContact CD1-CG1 3.71Å; L1829-I1849 HydrophobicContact CB-CG2 4.36Å; L1829-I1849 HydrophobicContact CD1-CB 4.36Å; L1829-I1849 HydrophobicContact CD1-CD1 4.09Å; L1829-I1849 HydrophobicContact CD1-CG1 3.94Å; L1829-I1849 HydrophobicContact CD1-CG2 3.79Å; L1829-I1849 VanDerWaalsContact CD1-CG2 3.46Å; L1829-I1849 HydrophobicContact CG-CG1 4.36Å; L1829-I1849 HydrophobicContact CG-CG2 4.05Å; L1829-H1850 PolarHBondContact N-O 3.3Å; L1829-V1851 HydrophobicContact CB-CG2 4.04Å | ||
| 1830 | Q | 73.4 | Confident | 67.9 | Low | 30.6 Ų | 30.6 | 54.9 Ų | 54.9 | 14% | 0.143 | 28% | 0.275 | C | S | . | . | trans | -50.4 | 146.4 | 178.9 | -46 | 161.4 | -24.1 | 0 | 0 | 111.6 | S1808 Y1809 M1828 N1832 H1841 H1850 T1852 P2098 | S1808-Q1830 CarbonylContact C-O 3.45Å; S1808-Q1830 WeakPolarHBondContact CA-O 3.38Å; S1808-Q1830 VanDerWaalsContact CB-O 3.27Å; S1808-Q1830 WeakPolarHBondContact CB-O 3.29Å; S1808-Q1830 PolarHBondContact OG-NE2 2.96Å; Y1809-Q1830 HydrophobicContact CE2-CG 4.36Å; Y1809-Q1830 PolarHBondContact N-O 3.08Å; M1828-Q1830 PolarHBondContact SD-NE2 3.04Å; Q1830-N1832 VanDerWaalsContact C-N 3.3Å; Q1830-N1832 PolarHBondContact O-N 3.06Å; Q1830-N1832 PolarHBondContact O-ND2 3.06Å; Q1830-N1832 VanDerWaalsContact O-ND2 3.1Å; Q1830-H1841 HydrophobicContact CG-CB 4.16Å; Q1830-H1841 PolarHBondContact N-O 2.89Å; Q1830-H1841 VanDerWaalsContact N-O 3.13Å; Q1830-H1841 PolarHBondContact NE2-O 3.24Å; Q1830-H1841 PolarHBondContact OE1-O 3.19Å; Q1830-H1850 PolarHBondContact OE1-O 3.28Å; Q1830-T1852 WeakPolarHBondContact CG-O 3.47Å; Q1830-T1852 VanDerWaalsContact NE2-CB 3.33Å; Q1830-T1852 PolarHBondContact NE2-O 3.08Å; Q1830-T1852 PolarHBondContact NE2-OG1 3.06Å; Q1830-P2098 PolarHBondContact OE1-O 2.86Å | ||
| 1831 | E | 81.6 | Confident | 66.7 | Low | 55.6 Ų | 55.6 | 58.4 Ų | 58.4 | 26% | 0.26 | 29% | 0.291 | S | S | . | . | S | Bend | trans | 53.1 | 57.8 | 179.9 | -59.9 | -59.5 | 141 | 0 | 0 | 113.7 | Y1809 N1810 A1854 D1856 Q1857 I1858 L2100 | Y1809-E1831 CarbonylContact C-O 3.2Å; Y1809-E1831 VanDerWaalsContact CA-O 3.31Å; Y1809-E1831 WeakPolarHBondContact CA-O 3.36Å; Y1809-E1831 HydrophobicContact CD1-CB 3.67Å; Y1809-E1831 HydrophobicContact CD1-CG 3.83Å; Y1809-E1831 HydrophobicContact CD2-CB 4.25Å; Y1809-E1831 HydrophobicContact CD2-CG 4.41Å; Y1809-E1831 HydrophobicContact CE1-CB 3.89Å; Y1809-E1831 HydrophobicContact CE1-CG 3.48Å; Y1809-E1831 VanDerWaalsContact CE1-CG 3.49Å; Y1809-E1831 HydrophobicContact CE2-CB 4.2Å; Y1809-E1831 HydrophobicContact CE2-CG 4.32Å; Y1809-E1831 HydrophobicContact CG-CB 3.92Å; Y1809-E1831 HydrophobicContact CG-CG 4.39Å; Y1809-E1831 PolarHBondContact N-O 3.19Å; N1810-E1831 PolarHBondContact N-O 3.14Å; N1810-E1831 VanDerWaalsContact N-O 3.11Å; E1831-A1854 HydrophobicContact CG-CB 4.12Å; E1831-A1854 VanDerWaalsContact OE1-CA 3.25Å; E1831-A1854 WeakPolarHBondContact OE1-CA 3.49Å; E1831-A1854 WeakPolarHBondContact OE1-CB 3.3Å; E1831-D1856 PolarHBondContact N-OD1 3.41Å; E1831-D1856 PolarHBondContact N-OD2 3.22Å; E1831-Q1857 VanDerWaalsContact CD-N 3.28Å; E1831-Q1857 WeakPolarHBondContact OE1-CB 3.39Å; E1831-Q1857 WeakPolarHBondContact OE1-CG 3.14Å; E1831-Q1857 PolarHBondContact OE1-N 3.45Å; E1831-Q1857 PolarHBondContact OE2-N 3.43Å; E1831-Q1857 VanDerWaalsContact OE2-N 3.17Å; E1831-I1858 WeakPolarHBondContact OE2-CB 2.84Å; E1831-I1858 VanDerWaalsContact OE2-CG2 3.31Å; E1831-I1858 WeakPolarHBondContact OE2-CG2 3.02Å; E1831-I1858 PolarHBondContact OE2-N 2.94Å; E1831-L2100 HydrophobicContact CG-CB 3.49Å; E1831-L2100 VanDerWaalsContact CG-CB 3.49Å; E1831-L2100 WeakPolarHBondContact OE1-CB 3.24Å; E1831-L2100 WeakPolarHBondContact OE2-CB 3.39Å |
| 1832 | N | 78.3 | Confident | 66 | Low | 7.6 Ų | 7.6 | 58.5 Ų | 58.5 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | trans | -132.9 | 141.5 | 167.1 | -80.2 | -88.6 | 0 | 0 | 0 | 109.9 | L1807 N1810 R1811 L1812 L1829 Q1830 L1834 V1835 | L1807-N1832 PolarHBondContact O-ND2 3.17Å; N1810-N1832 VanDerWaalsContact C-OD1 3.29Å; N1810-N1832 WeakPolarHBondContact CA-OD1 3.27Å; N1810-N1832 WeakPolarHBondContact CB-OD1 3.44Å; N1810-N1832 PolarHBondContact O-OD1 3.02Å; R1811-N1832 PolarHBondContact N-OD1 3.09Å; L1812-N1832 HydrophobicContact CB-CB 4.34Å; L1812-N1832 VanDerWaalsContact CB-OD1 3.28Å; L1812-N1832 WeakPolarHBondContact CB-OD1 3.36Å; L1812-N1832 WeakPolarHBondContact CG-OD1 3.37Å; L1812-N1832 PolarHBondContact N-OD1 3.2Å; L1829-N1832 WeakPolarHBondContact O-CB 3.34Å; L1829-N1832 PolarHBondContact O-ND2 3.16Å; Q1830-N1832 VanDerWaalsContact C-N 3.3Å; Q1830-N1832 PolarHBondContact O-N 3.06Å; Q1830-N1832 PolarHBondContact O-ND2 3.06Å; Q1830-N1832 VanDerWaalsContact O-ND2 3.1Å; N1832-L1834 HydrophobicContact CB-CD1 4.4Å; N1832-L1834 HydrophobicContact CB-CD2 4.38Å; N1832-L1834 HydrophobicContact CB-CG 4Å; N1832-L1834 PolarHBondContact O-N 3.2Å; N1832-L1834 VanDerWaalsContact O-N 3.08Å; N1832-V1835 HydrophobicContact CB-CG2 4.3Å; N1832-V1835 WeakPolarHBondContact O-CB 3.28Å; N1832-V1835 WeakPolarHBondContact O-CG2 3.14Å; N1832-V1835 PolarHBondContact O-N 2.8Å | ||
| 1833 | P | 80.4 | Confident | 65.4 | Low | 71.6 Ų | 71.6 | 53.7 Ų | 53.7 | 47% | 0.465 | 28% | 0.278 | S | S | . | . | trans | -73.5 | 42 | -179 | 24.1 | -26.1 | 0 | 0 | 0 | 113.1 | R1811 L1812 S1813 V1835 C1836 T1837 I1858 | R1811-P1833 VanDerWaalsContact C-CD 3.48Å; R1811-P1833 WeakPolarHBondContact O-CG 3.23Å; L1812-P1833 CarbonylContact O-C 3.22Å; L1812-P1833 WeakPolarHBondContact O-CD 3.28Å; S1813-P1833 WeakPolarHBondContact CA-O 3.34Å; P1833-V1835 PolarHBondContact O-N 3.17Å; P1833-C1836 PolarHBondContact O-N 2.92Å; P1833-T1837 PolarHBondContact O-N 2.88Å; P1833-T1837 PolarHBondContact O-OG1 3.17Å; P1833-I1858 HydrophobicContact CG-CD1 3.85Å | ||
| 1834 | L | 76.4 | Confident | 64.3 | Low | 22.2 Ų | 22.2 | 51.4 Ų | 51.4 | 12% | 0.116 | 27% | 0.273 | C | S | . | . | trans | -66.4 | 119.1 | -176.1 | -55.6 | 155.3 | 0 | 0 | 0 | 112.3 | L1812 S1813 I1815 L1829 N1832 C1836 T1837 E1838 I1840 I1858 | L1812-L1834 HydrophobicContact CB-CD2 4.22Å; L1812-L1834 WeakPolarHBondContact O-CB 3.09Å; L1812-L1834 WeakPolarHBondContact O-CD2 3.32Å; L1812-L1834 PolarHBondContact O-N 3.49Å; S1813-L1834 WeakPolarHBondContact O-CA 3.43Å; I1815-L1834 HydrophobicContact CD1-CD1 4.07Å; I1815-L1834 HydrophobicContact CD1-CD2 3.96Å; I1815-L1834 HydrophobicContact CG1-CD1 4.11Å; I1815-L1834 HydrophobicContact CG1-CD2 4.14Å; L1829-L1834 HydrophobicContact CB-CD1 4.37Å; L1829-L1834 HydrophobicContact CD1-CD1 4.23Å; L1829-L1834 HydrophobicContact CD1-CD2 4.4Å; L1829-L1834 HydrophobicContact CD2-CD2 4.22Å; N1832-L1834 HydrophobicContact CB-CD1 4.4Å; N1832-L1834 HydrophobicContact CB-CD2 4.38Å; N1832-L1834 HydrophobicContact CB-CG 4Å; N1832-L1834 PolarHBondContact O-N 3.2Å; N1832-L1834 VanDerWaalsContact O-N 3.08Å; L1834-C1836 VanDerWaalsContact C-N 3.29Å; L1834-C1836 PolarHBondContact O-N 3.19Å; L1834-T1837 WeakPolarHBondContact CA-OG1 3.33Å; L1834-T1837 PolarHBondContact O-N 2.99Å; L1834-T1837 PolarHBondContact O-OG1 3.24Å; L1834-E1838 WeakPolarHBondContact O-CA 3.39Å; L1834-E1838 WeakPolarHBondContact O-CB 3.34Å; L1834-E1838 PolarHBondContact O-N 3.09Å; L1834-I1840 WeakPolarHBondContact CD1-O 3.24Å; L1834-I1858 HydrophobicContact CB-CD1 4.35Å; L1834-I1858 HydrophobicContact CB-CG1 4.49Å; L1834-I1858 HydrophobicContact CB-CG2 4.45Å; L1834-I1858 HydrophobicContact CD1-CD1 4.04Å | ||
| 1835 | V | 66.5 | Low | 63.3 | Low | 64.6 Ų | 64.6 | 54.9 Ų | 54.9 | 39% | 0.392 | 29% | 0.292 | S | S | . | . | trans | -76.1 | 109.3 | -178.4 | -175.3 | 0 | 0 | 0 | 0 | 110.4 | S1813 L1829 N1832 P1833 T1837 E1838 Q1839 H1841 D1856 | S1813-V1835 PolarHBondContact O-N 2.85Å; L1829-V1835 WeakPolarHBondContact O-CG2 3.22Å; N1832-V1835 HydrophobicContact CB-CG2 4.3Å; N1832-V1835 WeakPolarHBondContact O-CB 3.28Å; N1832-V1835 WeakPolarHBondContact O-CG2 3.14Å; N1832-V1835 PolarHBondContact O-N 2.8Å; P1833-V1835 PolarHBondContact O-N 3.17Å; V1835-T1837 VanDerWaalsContact C-N 3.32Å; V1835-T1837 HydrophobicContact CG1-CG2 4.17Å; V1835-T1837 WeakPolarHBondContact CG1-OG1 3.36Å; V1835-T1837 PolarHBondContact O-N 3.2Å; V1835-E1838 PolarHBondContact O-N 3.13Å; V1835-Q1839 WeakPolarHBondContact O-CA 3.19Å; V1835-Q1839 PolarHBondContact O-N 3.09Å; V1835-H1841 VanDerWaalsContact CG1-CE1 3.47Å; V1835-H1841 WeakPolarHBondContact CG1-CE1 3.35Å; V1835-H1841 WeakPolarHBondContact CG1-NE2 3.24Å; V1835-D1856 WeakPolarHBondContact CB-OD2 3.36Å; V1835-D1856 WeakPolarHBondContact CG1-OD2 3.32Å; V1835-D1856 WeakPolarHBondContact CG2-OD2 3.47Å | ||
| 1836 | C | 57.6 | Low | 62.3 | Low | 53.6 Ų | 53.6 | 58.4 Ų | 58.4 | 36% | 0.362 | 31% | 0.308 | S | S | . | . | trans | -69.9 | 11.9 | -176.8 | -64.7 | 0 | 0 | 0 | 0 | 115 | P1833 L1834 E1838 Q1839 I1840 I1858 C1859 | P1833-C1836 PolarHBondContact O-N 2.92Å; L1834-C1836 VanDerWaalsContact C-N 3.29Å; L1834-C1836 PolarHBondContact O-N 3.19Å; C1836-E1838 VanDerWaalsContact C-N 3.3Å; C1836-E1838 PolarHBondContact O-N 2.96Å; C1836-Q1839 WeakPolarHBondContact O-CG 3.46Å; C1836-I1840 HydrophobicContact CB-CD1 4.16Å; C1836-I1858 VanDerWaalsContact SG-CA 3.6Å; C1836-C1859 VanDerWaalsContact CA-SG 3.51Å; C1836-C1859 WeakPolarHBondContact CA-SG 3.47Å; C1836-C1859 HydrophobicContact CB-CB 3.98Å; C1836-C1859 WeakPolarHBondContact CB-SG 3.39Å; C1836-C1859 PolarHBondContact N-SG 3.33Å; C1836-C1859 WeakPolarHBondContact SG-CA 3.33Å; C1836-C1859 WeakPolarHBondContact SG-CB 3.23Å; C1836-C1859 PolarHBondContact SG-N 2.99Å; C1836-C1859 CovalentContact SG-SG 2.04Å; C1836-C1859 PolarHBondContact SG-SG 3.14Å | ||
| 1837 | T | 53.7 | Low | 61.3 | Low | 101.2 Ų | 101.2 | 57.8 Ų | 57.8 | 62% | 0.621 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -87.8 | 1.7 | 178 | 52.3 | 0 | 0 | 0 | 0 | 113.2 | P1833 L1834 V1835 Q1839 I1840 K2395 | P1833-T1837 PolarHBondContact O-N 2.88Å; P1833-T1837 PolarHBondContact O-OG1 3.17Å; L1834-T1837 WeakPolarHBondContact CA-OG1 3.33Å; L1834-T1837 PolarHBondContact O-N 2.99Å; L1834-T1837 PolarHBondContact O-OG1 3.24Å; V1835-T1837 VanDerWaalsContact C-N 3.32Å; V1835-T1837 HydrophobicContact CG1-CG2 4.17Å; V1835-T1837 WeakPolarHBondContact CG1-OG1 3.36Å; V1835-T1837 PolarHBondContact O-N 3.2Å; T1837-Q1839 PolarHBondContact O-N 3.5Å; T1837-I1840 PolarHBondContact O-N 3.49Å; T1837-K2395 PolarHBondContact O-NZ 3.02Å |
| 1838 | E | 46.7 | Very low | 59.8 | Low | 110 Ų | 110 | 58.4 Ų | 58.4 | 51% | 0.514 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -86 | 9.7 | -175.1 | -61.7 | -175.6 | 175.6 | 0 | 0 | 114.5 | R1814 I1815 L1834 V1835 C1836 I1840 H1841 K2299 R2490 | R1814-E1838 VanDerWaalsContact CA-OE1 3.25Å; R1814-E1838 WeakPolarHBondContact CA-OE1 3.48Å; R1814-E1838 WeakPolarHBondContact CA-OE2 3.44Å; R1814-E1838 VanDerWaalsContact CB-OE1 3.23Å; R1814-E1838 WeakPolarHBondContact CB-OE1 3.15Å; R1814-E1838 WeakPolarHBondContact CD-OE1 3.21Å; R1814-E1838 WeakPolarHBondContact CG-OE1 3.5Å; R1814-E1838 IonicContact NE-OE1 3.96Å; I1815-E1838 WeakPolarHBondContact CD1-OE2 3.05Å; I1815-E1838 WeakPolarHBondContact CG1-OE2 3.15Å; I1815-E1838 PolarHBondContact N-OE1 2.91Å; I1815-E1838 PolarHBondContact N-OE2 2.99Å; L1834-E1838 WeakPolarHBondContact O-CA 3.39Å; L1834-E1838 WeakPolarHBondContact O-CB 3.34Å; L1834-E1838 PolarHBondContact O-N 3.09Å; V1835-E1838 PolarHBondContact O-N 3.13Å; C1836-E1838 VanDerWaalsContact C-N 3.3Å; C1836-E1838 PolarHBondContact O-N 2.96Å; E1838-I1840 VanDerWaalsContact C-N 3.27Å; E1838-I1840 PolarHBondContact O-N 3.13Å; E1838-I1840 VanDerWaalsContact O-N 3.15Å; E1838-H1841 PolarHBondContact O-N 2.9Å; E1838-K2299 IonicContact OE2-NZ 2.66Å; E1838-K2299 PolarHBondContact OE2-NZ 3.2Å; E1838-R2490 PolarHBondContact O-NH1 3.3Å |
| 1839 | Q | 47.6 | Very low | 58.6 | Low | 106.4 Ų | 106.4 | 59.1 Ų | 59.1 | 50% | 0.497 | 31% | 0.314 | S | S | . | . | trans | -33.9 | 33.9 | 178 | -66.9 | -177.4 | -2.9 | 0 | 0 | 114.7 | V1835 C1836 T1837 H1841 I1843 H1850 C1859 | V1835-Q1839 WeakPolarHBondContact O-CA 3.19Å; V1835-Q1839 PolarHBondContact O-N 3.09Å; C1836-Q1839 WeakPolarHBondContact O-CG 3.46Å; T1837-Q1839 PolarHBondContact O-N 3.5Å; Q1839-H1841 PolarHBondContact O-N 2.92Å; Q1839-H1841 PolarHBondContact OE1-NE2 3.19Å; Q1839-I1843 WeakPolarHBondContact O-CD1 3.22Å; Q1839-I1843 WeakPolarHBondContact O-CG1 3.4Å; Q1839-H1850 VanDerWaalsContact O-CB 3.27Å; Q1839-H1850 WeakPolarHBondContact O-CB 3.34Å; Q1839-H1850 PolarHBondContact O-CD2 2.91Å; Q1839-C1859 PolarHBondContact NE2-SG 2.99Å; Q1839-C1859 PolarHBondContact OE1-SG 3.09Å | ||
| 1840 | I | 49.7 | Very low | 56.9 | Low | 76.4 Ų | 76.4 | 61 Ų | 61 | 39% | 0.392 | 32% | 0.323 | S | S | . | . | trans | -86.2 | 43.5 | 172.9 | -63.5 | 176.7 | 0 | 0 | 0 | 109.8 | I1815 L1829 L1834 C1836 T1837 E1838 M1842 I1843 E1844 G1848 R2490 | I1815-I1840 HydrophobicContact CD1-CB 3.99Å; I1815-I1840 HydrophobicContact CD1-CD1 3.33Å; I1815-I1840 HydrophobicContact CD1-CG1 4.22Å; I1815-I1840 HydrophobicContact CD1-CG2 3.84Å; L1829-I1840 HydrophobicContact CD1-CG2 4.14Å; L1834-I1840 WeakPolarHBondContact CD1-O 3.24Å; C1836-I1840 HydrophobicContact CB-CD1 4.16Å; T1837-I1840 PolarHBondContact O-N 3.49Å; E1838-I1840 VanDerWaalsContact C-N 3.27Å; E1838-I1840 PolarHBondContact O-N 3.13Å; E1838-I1840 VanDerWaalsContact O-N 3.15Å; I1840-M1842 VanDerWaalsContact C-N 3.34Å; I1840-M1842 HydrophobicContact CD1-CE 3.81Å; I1840-M1842 HydrophobicContact CG1-CE 4.09Å; I1840-M1842 HydrophobicContact CG2-CB 3.93Å; I1840-M1842 HydrophobicContact CG2-CE 4.12Å; I1840-M1842 HydrophobicContact CG2-CG 3.95Å; I1840-M1842 WeakPolarHBondContact CG2-O 3.46Å; I1840-M1842 HydrophobicContact CG2-SD 4.41Å; I1840-M1842 PolarHBondContact O-N 3.04Å; I1840-M1842 VanDerWaalsContact O-N 3.1Å; I1840-I1843 HydrophobicContact CG2-CG1 4.09Å; I1840-I1843 PolarHBondContact O-N 3.45Å; I1840-E1844 HydrophobicContact CG2-CG 4.28Å; I1840-E1844 PolarHBondContact O-N 2.86Å; I1840-G1848 VanDerWaalsContact CG2-CA 3.45Å; I1840-R2490 VanDerWaalsContact CG1-NH2 3.3Å | ||
| 1841 | H | 48.9 | Very low | 55.8 | Low | 88.4 Ų | 88.4 | 62.2 Ų | 62.2 | 41% | 0.409 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -74 | -8.4 | 179.2 | -84.5 | -44.1 | 0 | 0 | 0 | 113.6 | L1829 Q1830 V1835 E1838 Q1839 I1843 E1844 N1845 I1849 H1850 V1851 A1854 D1856 R2347 | L1829-H1841 CarbonylContact C-O 3.57Å; L1829-H1841 WeakPolarHBondContact CA-O 3.47Å; L1829-H1841 PolarHBondContact N-O 2.89Å; Q1830-H1841 HydrophobicContact CG-CB 4.16Å; Q1830-H1841 PolarHBondContact N-O 2.89Å; Q1830-H1841 VanDerWaalsContact N-O 3.13Å; Q1830-H1841 PolarHBondContact NE2-O 3.24Å; Q1830-H1841 PolarHBondContact OE1-O 3.19Å; V1835-H1841 VanDerWaalsContact CG1-CE1 3.47Å; V1835-H1841 WeakPolarHBondContact CG1-CE1 3.35Å; V1835-H1841 WeakPolarHBondContact CG1-NE2 3.24Å; E1838-H1841 PolarHBondContact O-N 2.9Å; Q1839-H1841 PolarHBondContact O-N 2.92Å; Q1839-H1841 PolarHBondContact OE1-NE2 3.19Å; H1841-I1843 VanDerWaalsContact C-N 3.31Å; H1841-I1843 PolarHBondContact O-N 3.08Å; H1841-E1844 IonicContact CE1-OE2 3.45Å; H1841-E1844 PolarHBondContact CE1-OE2 2.86Å; H1841-E1844 IonicContact CG-OE2 2.7Å; H1841-E1844 IonicContact ND1-OE2 3.24Å; H1841-E1844 PolarHBondContact ND1-OE2 3.13Å; H1841-E1844 PolarHBondContact O-N 3.32Å; H1841-N1845 PolarHBondContact O-ND2 2.98Å; H1841-I1849 PolarHBondContact N-O 3.3Å; H1841-H1850 AromaticContact CE1-CD2 3.53Å; H1841-H1850 AromaticContact CE1-NE2 3.5Å; H1841-H1850 PolarHBondContact CE1-NE2 2.86Å; H1841-H1850 AromaticContact ND1-CD2 3.25Å; H1841-H1850 PolarHBondContact ND1-CD2 3.31Å; H1841-H1850 VanDerWaalsContact ND1-CD2 3.25Å; H1841-H1850 AromaticContact ND1-NE2 3.75Å; H1841-V1851 HydrophobicContact CB-CG2 4.32Å; H1841-V1851 PolarHBondContact CE1-O 2.77Å; H1841-V1851 VanDerWaalsContact CE1-O 3.29Å; H1841-V1851 PolarHBondContact ND1-N 3.2Å; H1841-A1854 WeakPolarHBondContact NE2-CB 3.28Å; H1841-D1856 IonicContact CD2-OD1 3.16Å; H1841-D1856 IonicContact CD2-OD2 2.7Å; H1841-D1856 IonicContact NE2-OD1 2.84Å; H1841-D1856 IonicContact NE2-OD2 3.65Å; H1841-R2347 PolarHBondContact CE1-NH1 2.92Å; H1841-R2347 WeakPolarHBondContact NE2-CD 3.17Å; H1841-R2347 VanDerWaalsContact NE2-CZ 3.29Å; H1841-R2347 PolarHBondContact NE2-NE 2.95Å; H1841-R2347 PolarHBondContact NE2-NH1 2.89Å |
| 1842 | M | 54.1 | Low | 53.8 | Low | 32.4 Ų | 32.4 | 60.8 Ų | 60.8 | 16% | 0.16 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -88.3 | 9 | -179.7 | -73.2 | -170.3 | 88.1 | 0 | 0 | 111.7 | I1815 L1820 T1826 V1827 M1828 L1829 I1840 E1844 G1848 I1849 | I1815-M1842 HydrophobicContact CB-CE 4.01Å; I1815-M1842 HydrophobicContact CB-SD 4.11Å; I1815-M1842 HydrophobicContact CD1-CE 4.44Å; I1815-M1842 HydrophobicContact CD1-SD 4.09Å; I1815-M1842 HydrophobicContact CG1-CE 4.19Å; I1815-M1842 HydrophobicContact CG2-CE 3.79Å; I1815-M1842 HydrophobicContact CG2-SD 4.29Å; L1820-M1842 HydrophobicContact CD1-CE 3.93Å; T1826-M1842 HydrophobicContact CG2-CG 4.11Å; T1826-M1842 HydrophobicContact CG2-SD 3.61Å; V1827-M1842 CarbonylContact O-C 3.27Å; V1827-M1842 WeakPolarHBondContact O-CA 3.37Å; V1827-M1842 WeakPolarHBondContact O-CG 3.49Å; M1828-M1842 HydrophobicContact CE-SD 3.43Å; M1828-M1842 WeakPolarHBondContact CE-SD 3.49Å; M1828-M1842 HydrophobicContact SD-CB 4.3Å; M1828-M1842 HydrophobicContact SD-CG 3.93Å; M1828-M1842 HydrophobicContact SD-SD 3.41Å; L1829-M1842 HydrophobicContact CD1-SD 4.47Å; I1840-M1842 VanDerWaalsContact C-N 3.34Å; I1840-M1842 HydrophobicContact CD1-CE 3.81Å; I1840-M1842 HydrophobicContact CG1-CE 4.09Å; I1840-M1842 HydrophobicContact CG2-CB 3.93Å; I1840-M1842 HydrophobicContact CG2-CE 4.12Å; I1840-M1842 HydrophobicContact CG2-CG 3.95Å; I1840-M1842 WeakPolarHBondContact CG2-O 3.46Å; I1840-M1842 HydrophobicContact CG2-SD 4.41Å; I1840-M1842 PolarHBondContact O-N 3.04Å; I1840-M1842 VanDerWaalsContact O-N 3.1Å; M1842-E1844 VanDerWaalsContact C-N 3.32Å; M1842-E1844 HydrophobicContact CE-CG 3.83Å; M1842-E1844 HydrophobicContact CG-CG 4.18Å; M1842-E1844 HydrophobicContact SD-CG 3.94Å; M1842-G1848 CarbonylContact O-C 3.5Å; M1842-G1848 VanDerWaalsContact O-CA 3.28Å; M1842-G1848 WeakPolarHBondContact O-CA 3.36Å; M1842-I1849 HydrophobicContact CB-CD1 3.46Å; M1842-I1849 VanDerWaalsContact CB-CD1 3.45Å; M1842-I1849 HydrophobicContact CE-CD1 3.93Å; M1842-I1849 HydrophobicContact CG-CD1 4.06Å; M1842-I1849 PolarHBondContact N-O 2.84Å; M1842-I1849 PolarHBondContact O-N 2.71Å; M1842-I1849 HydrophobicContact SD-CD1 3.78Å; M1842-I1849 VanDerWaalsContact SD-CD1 3.58Å |
| 1843 | I | 51.9 | Low | 51.9 | Low | 85.2 Ų | 85.2 | 63.5 Ų | 63.5 | 44% | 0.437 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -83.9 | 4.2 | 173.3 | -55.3 | -179.9 | 0 | 0 | 0 | 111.6 | I1815 L1820 T1826 V1827 L1829 Q1839 I1840 H1841 N1845 N1846 V1847 I1849 | I1815-I1843 HydrophobicContact CD1-CD1 4.09Å; I1815-I1843 HydrophobicContact CG1-CD1 4.24Å; I1815-I1843 HydrophobicContact CG2-CD1 3.52Å; L1820-I1843 HydrophobicContact CD1-CD1 3.89Å; T1826-I1843 CarbonylContact C-O 3.55Å; T1826-I1843 WeakPolarHBondContact CA-O 3.17Å; V1827-I1843 HydrophobicContact CB-CB 3.94Å; V1827-I1843 HydrophobicContact CB-CD1 4.46Å; V1827-I1843 HydrophobicContact CB-CG1 4.39Å; V1827-I1843 HydrophobicContact CG2-CB 4.16Å; V1827-I1843 PolarHBondContact N-O 2.71Å; V1827-I1843 PolarHBondContact O-N 2.87Å; L1829-I1843 HydrophobicContact CD1-CD1 3.7Å; L1829-I1843 HydrophobicContact CD1-CG1 3.71Å; Q1839-I1843 WeakPolarHBondContact O-CD1 3.22Å; Q1839-I1843 WeakPolarHBondContact O-CG1 3.4Å; I1840-I1843 HydrophobicContact CG2-CG1 4.09Å; I1840-I1843 PolarHBondContact O-N 3.45Å; H1841-I1843 VanDerWaalsContact C-N 3.31Å; H1841-I1843 PolarHBondContact O-N 3.08Å; I1843-N1845 PolarHBondContact O-N 3.04Å; I1843-N1845 VanDerWaalsContact O-N 3.13Å; I1843-N1846 PolarHBondContact O-N 2.92Å; I1843-V1847 CarbonylContact C-O 3.43Å; I1843-V1847 WeakPolarHBondContact CA-O 3.41Å; I1843-V1847 HydrophobicContact CD1-CB 4.49Å; I1843-V1847 HydrophobicContact CD1-CG1 3.84Å; I1843-V1847 HydrophobicContact CG2-CB 3.42Å; I1843-V1847 VanDerWaalsContact CG2-CB 3.42Å; I1843-V1847 HydrophobicContact CG2-CG1 3.86Å; I1843-V1847 VanDerWaalsContact CG2-O 3.25Å; I1843-V1847 WeakPolarHBondContact CG2-O 3.37Å; I1843-I1849 HydrophobicContact CB-CD1 4.48Å; I1843-I1849 HydrophobicContact CD1-CD1 3.76Å; I1843-I1849 HydrophobicContact CD1-CG1 4.02Å; I1843-I1849 HydrophobicContact CG1-CD1 4.1Å |
| 1844 | E | 45.1 | Very low | 49.9 | Very low | 94.4 Ų | 94.4 | 61.5 Ų | 61.5 | 44% | 0.441 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 15.9 | 174.7 | -67.9 | -166.1 | 127.5 | 0 | 0 | 112.9 | A1825 T1826 I1840 H1841 M1842 N1846 V1847 I1849 H2372 K2395 Q2560 | A1825-E1844 CarbonylContact O-C 3.51Å; A1825-E1844 WeakPolarHBondContact O-CA 3.48Å; T1826-E1844 HydrophobicContact CG2-CG 4.17Å; I1840-E1844 HydrophobicContact CG2-CG 4.28Å; I1840-E1844 PolarHBondContact O-N 2.86Å; H1841-E1844 IonicContact CE1-OE2 3.45Å; H1841-E1844 PolarHBondContact CE1-OE2 2.86Å; H1841-E1844 IonicContact CG-OE2 2.7Å; H1841-E1844 IonicContact ND1-OE2 3.24Å; H1841-E1844 PolarHBondContact ND1-OE2 3.13Å; H1841-E1844 PolarHBondContact O-N 3.32Å; M1842-E1844 VanDerWaalsContact C-N 3.32Å; M1842-E1844 HydrophobicContact CE-CG 3.83Å; M1842-E1844 HydrophobicContact CG-CG 4.18Å; M1842-E1844 HydrophobicContact SD-CG 3.94Å; E1844-N1846 VanDerWaalsContact C-N 3.28Å; E1844-N1846 PolarHBondContact O-N 2.84Å; E1844-V1847 PolarHBondContact N-O 3.12Å; E1844-V1847 WeakPolarHBondContact O-CA 3.46Å; E1844-V1847 WeakPolarHBondContact O-CB 3.48Å; E1844-V1847 PolarHBondContact O-N 3.31Å; E1844-I1849 HydrophobicContact CB-CD1 3.72Å; E1844-I1849 HydrophobicContact CG-CD1 3.71Å; E1844-I1849 WeakPolarHBondContact OE2-CD1 3.34Å; E1844-H2372 IonicContact OE1-CE1 2.72Å; E1844-H2372 IonicContact OE1-NE2 2.73Å; E1844-H2372 PolarHBondContact OE1-NE2 2.67Å; E1844-H2372 IonicContact OE2-CD2 2.88Å; E1844-H2372 PolarHBondContact OE2-CD2 2.83Å; E1844-H2372 IonicContact OE2-CE1 2.76Å; E1844-H2372 IonicContact OE2-NE2 3.44Å; E1844-H2372 PolarHBondContact OE2-NE2 2.96Å; E1844-K2395 WeakPolarHBondContact OE1-CE 3.34Å; E1844-K2395 IonicContact OE1-NZ 2.95Å; E1844-K2395 PolarHBondContact OE1-NZ 3.3Å; E1844-K2395 IonicContact OE2-NZ 3.28Å; E1844-Q2560 PolarHBondContact OE2-NE2 3.16Å; E1844-Q2560 VanDerWaalsContact OE2-NE2 3.11Å |
| 1845 | N | 48 | Very low | 48.3 | Very low | 75 Ų | 75 | 66.8 Ų | 66.8 | 40% | 0.401 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.7 | 33.9 | -176.8 | -77.6 | -62.9 | 0 | 0 | 0 | 114.3 | Y1817 A1825 H1841 I1843 V1847 | Y1817-N1845 HydrophobicContact CD2-CB 4.29Å; Y1817-N1845 HydrophobicContact CE1-CB 4.29Å; Y1817-N1845 HydrophobicContact CE2-CB 3.62Å; Y1817-N1845 VanDerWaalsContact CE2-CB 3.42Å; Y1817-N1845 WeakPolarHBondContact OH-CB 3.41Å; Y1817-N1845 PolarHBondContact OH-OD1 2.96Å; A1825-N1845 PolarHBondContact O-N 2.85Å; H1841-N1845 PolarHBondContact O-ND2 2.98Å; I1843-N1845 PolarHBondContact O-N 3.04Å; I1843-N1845 VanDerWaalsContact O-N 3.13Å; N1845-V1847 VanDerWaalsContact C-N 3.31Å; N1845-V1847 PolarHBondContact O-N 2.88Å |
| 1846 | N | 44.4 | Very low | 47 | Very low | 91.6 Ų | 91.6 | 67.8 Ų | 67.8 | 49% | 0.49 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 32.2 | 175.8 | -70.2 | -39 | 0 | 0 | 0 | 115.4 | R1225 R1822 I1843 E1844 S2084 Y2086 I2442 H2466 R2490 | R1225-N1846 WeakPolarHBondContact CB-OD1 3.38Å; R1225-N1846 VanDerWaalsContact CD-OD1 3.23Å; R1225-N1846 WeakPolarHBondContact CD-OD1 3.37Å; R1225-N1846 VanDerWaalsContact CG-OD1 3.25Å; R1225-N1846 WeakPolarHBondContact CG-OD1 3.16Å; R1225-N1846 VanDerWaalsContact NE-CG 3.34Å; R1225-N1846 PolarHBondContact NE-O 2.95Å; R1225-N1846 PolarHBondContact NH2-O 3.28Å; R1822-N1846 PolarHBondContact O-ND2 2.89Å; I1843-N1846 PolarHBondContact O-N 2.92Å; E1844-N1846 VanDerWaalsContact C-N 3.28Å; E1844-N1846 PolarHBondContact O-N 2.84Å; N1846-S2084 PolarHBondContact ND2-OG 2.62Å; N1846-Y2086 HydrophobicContact CB-CD2 4.36Å; N1846-Y2086 HydrophobicContact CB-CE2 3.76Å; N1846-Y2086 PolarHBondContact O-OH 3.02Å; N1846-I2442 WeakPolarHBondContact ND2-CD1 3.5Å; N1846-H2466 PolarHBondContact OD1-CE1 3.48Å; N1846-R2490 PolarHBondContact OD1-NH2 3.03Å |
| 1847 | V | 47.5 | Very low | 46.4 | Very low | 13.8 Ų | 13.8 | 72.3 Ų | 72.3 | 8% | 0.084 | 38% | 0.377 | C | S | . | . | trans | -108.8 | 127.2 | 171 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | Y1817 L1820 T1824 V1827 I1843 E1844 N1845 I1849 Y2086 M2488 Y2512 | Y1817-V1847 HydrophobicContact CE2-CG2 3.93Å; L1820-V1847 HydrophobicContact CD1-CG1 4.23Å; T1824-V1847 WeakPolarHBondContact O-CB 3.19Å; T1824-V1847 WeakPolarHBondContact O-CG1 3.4Å; T1824-V1847 WeakPolarHBondContact O-CG2 3.34Å; V1827-V1847 HydrophobicContact CG2-CG1 4.01Å; I1843-V1847 CarbonylContact C-O 3.43Å; I1843-V1847 WeakPolarHBondContact CA-O 3.41Å; I1843-V1847 HydrophobicContact CD1-CB 4.49Å; I1843-V1847 HydrophobicContact CD1-CG1 3.84Å; I1843-V1847 HydrophobicContact CG2-CB 3.42Å; I1843-V1847 VanDerWaalsContact CG2-CB 3.42Å; I1843-V1847 HydrophobicContact CG2-CG1 3.86Å; I1843-V1847 VanDerWaalsContact CG2-O 3.25Å; I1843-V1847 WeakPolarHBondContact CG2-O 3.37Å; E1844-V1847 PolarHBondContact N-O 3.12Å; E1844-V1847 WeakPolarHBondContact O-CA 3.46Å; E1844-V1847 WeakPolarHBondContact O-CB 3.48Å; E1844-V1847 PolarHBondContact O-N 3.31Å; N1845-V1847 VanDerWaalsContact C-N 3.31Å; N1845-V1847 PolarHBondContact O-N 2.88Å; V1847-I1849 PolarHBondContact O-N 3.07Å; V1847-Y2086 VanDerWaalsContact C-CE1 3.42Å; V1847-Y2086 WeakPolarHBondContact CA-OH 3.4Å; V1847-Y2086 PolarHBondContact N-OH 3.38Å; V1847-M2488 HydrophobicContact CB-CE 4.44Å; V1847-M2488 HydrophobicContact CG1-CE 3.29Å; V1847-Y2512 HydrophobicContact CB-CD1 4.21Å; V1847-Y2512 HydrophobicContact CB-CD2 3.99Å; V1847-Y2512 HydrophobicContact CB-CE1 3.78Å; V1847-Y2512 HydrophobicContact CB-CE2 3.57Å; V1847-Y2512 HydrophobicContact CB-CG 4.32Å; V1847-Y2512 VanDerWaalsContact CB-CZ 3.46Å; V1847-Y2512 HydrophobicContact CG1-CD1 3.35Å; V1847-Y2512 HydrophobicContact CG1-CD2 3.55Å; V1847-Y2512 HydrophobicContact CG1-CE1 3.41Å; V1847-Y2512 VanDerWaalsContact CG1-CE1 3.41Å; V1847-Y2512 HydrophobicContact CG1-CE2 3.64Å; V1847-Y2512 HydrophobicContact CG1-CG 3.43Å; V1847-Y2512 VanDerWaalsContact CG1-CG 3.43Å; V1847-Y2512 HydrophobicContact CG2-CD2 3.72Å; V1847-Y2512 HydrophobicContact CG2-CE1 4.45Å; V1847-Y2512 HydrophobicContact CG2-CE2 3.29Å; V1847-Y2512 HydrophobicContact CG2-CG 4.49Å | ||
| 1848 | G | 46.8 | Very low | 46.2 | Very low | 12.4 Ų | 12.4 | 70.6 Ų | 70.6 | 13% | 0.128 | 36% | 0.363 | C | S | . | . | trans | -81.3 | 99.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A1825 T1826 V1827 I1840 M1842 H1850 Y2086 R2490 | A1825-G1848 VanDerWaalsContact O-CA 3.26Å; A1825-G1848 WeakPolarHBondContact O-CA 3.43Å; A1825-G1848 PolarHBondContact O-N 3.19Å; T1826-G1848 CarbonylContact C-O 3.37Å; T1826-G1848 WeakPolarHBondContact CA-O 3.32Å; V1827-G1848 PolarHBondContact N-O 3.15Å; I1840-G1848 VanDerWaalsContact CG2-CA 3.45Å; M1842-G1848 CarbonylContact O-C 3.5Å; M1842-G1848 VanDerWaalsContact O-CA 3.28Å; M1842-G1848 WeakPolarHBondContact O-CA 3.36Å; G1848-H1850 PolarHBondContact O-N 3.44Å; G1848-Y2086 WeakPolarHBondContact CA-OH 3.34Å; G1848-Y2086 PolarHBondContact N-OH 3.46Å; G1848-R2490 PolarHBondContact O-NH2 3.41Å | ||
| 1849 | I | 52 | Low | 46.2 | Very low | 44.6 Ų | 44.6 | 68.5 Ų | 68.5 | 23% | 0.229 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 119.7 | 175.8 | -66.2 | 172 | 0 | 0 | 0 | 110.1 | V1827 L1829 H1841 M1842 I1843 E1844 V1847 V1851 I2536 | V1827-I1849 HydrophobicContact CB-CG1 4.24Å; V1827-I1849 CarbonylContact O-C 3.52Å; V1827-I1849 WeakPolarHBondContact O-CA 3.44Å; V1827-I1849 WeakPolarHBondContact O-CG2 3.09Å; L1829-I1849 HydrophobicContact CB-CG2 4.36Å; L1829-I1849 HydrophobicContact CD1-CB 4.36Å; L1829-I1849 HydrophobicContact CD1-CD1 4.09Å; L1829-I1849 HydrophobicContact CD1-CG1 3.94Å; L1829-I1849 HydrophobicContact CD1-CG2 3.79Å; L1829-I1849 VanDerWaalsContact CD1-CG2 3.46Å; L1829-I1849 HydrophobicContact CG-CG1 4.36Å; L1829-I1849 HydrophobicContact CG-CG2 4.05Å; H1841-I1849 PolarHBondContact N-O 3.3Å; M1842-I1849 HydrophobicContact CB-CD1 3.46Å; M1842-I1849 VanDerWaalsContact CB-CD1 3.45Å; M1842-I1849 HydrophobicContact CE-CD1 3.93Å; M1842-I1849 HydrophobicContact CG-CD1 4.06Å; M1842-I1849 PolarHBondContact N-O 2.84Å; M1842-I1849 PolarHBondContact O-N 2.71Å; M1842-I1849 HydrophobicContact SD-CD1 3.78Å; M1842-I1849 VanDerWaalsContact SD-CD1 3.58Å; I1843-I1849 HydrophobicContact CB-CD1 4.48Å; I1843-I1849 HydrophobicContact CD1-CD1 3.76Å; I1843-I1849 HydrophobicContact CD1-CG1 4.02Å; I1843-I1849 HydrophobicContact CG1-CD1 4.1Å; E1844-I1849 HydrophobicContact CB-CD1 3.72Å; E1844-I1849 HydrophobicContact CG-CD1 3.71Å; E1844-I1849 WeakPolarHBondContact OE2-CD1 3.34Å; V1847-I1849 PolarHBondContact O-N 3.07Å; I1849-V1851 HydrophobicContact CB-CG2 4.41Å; I1849-V1851 HydrophobicContact CG2-CG2 3.87Å; I1849-V1851 VanDerWaalsContact CG2-CG2 3.44Å; I1849-V1851 PolarHBondContact O-N 3.28Å; I1849-I2536 HydrophobicContact CD1-CD1 3.55Å; I1849-I2536 HydrophobicContact CG1-CD1 3.65Å |
| 1850 | H | 45.5 | Very low | 45.6 | Very low | 43.6 Ų | 43.6 | 65.9 Ų | 65.9 | 20% | 0.202 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 103.3 | 174.3 | -161 | -97.6 | 0 | 0 | 0 | 109.1 | F1235 T1826 V1827 M1828 L1829 Q1830 Q1839 H1841 G1848 T1852 H2094 | F1235-H1850 AromaticContact CD1-CD2 3.87Å; F1235-H1850 AromaticContact CE1-CD2 3.79Å; T1826-H1850 HydrophobicContact CG2-CB 4.06Å; V1827-H1850 PolarHBondContact O-N 2.99Å; V1827-H1850 VanDerWaalsContact O-N 3.1Å; M1828-H1850 WeakPolarHBondContact CA-O 3.39Å; M1828-H1850 HydrophobicContact CG-CB 4.27Å; L1829-H1850 PolarHBondContact N-O 3.3Å; Q1830-H1850 PolarHBondContact OE1-O 3.28Å; Q1839-H1850 VanDerWaalsContact O-CB 3.27Å; Q1839-H1850 WeakPolarHBondContact O-CB 3.34Å; Q1839-H1850 PolarHBondContact O-CD2 2.91Å; H1841-H1850 AromaticContact CE1-CD2 3.53Å; H1841-H1850 AromaticContact CE1-NE2 3.5Å; H1841-H1850 PolarHBondContact CE1-NE2 2.86Å; H1841-H1850 AromaticContact ND1-CD2 3.25Å; H1841-H1850 PolarHBondContact ND1-CD2 3.31Å; H1841-H1850 VanDerWaalsContact ND1-CD2 3.25Å; H1841-H1850 AromaticContact ND1-NE2 3.75Å; G1848-H1850 PolarHBondContact O-N 3.44Å; H1850-T1852 WeakPolarHBondContact CE1-CG2 3.37Å; H1850-T1852 PolarHBondContact CE1-OG1 3.39Å; H1850-T1852 WeakPolarHBondContact ND1-CG2 3.29Å; H1850-T1852 PolarHBondContact ND1-OG1 3.15Å; H1850-T1852 WeakPolarHBondContact NE2-CG2 3.39Å; H1850-H2094 AromaticContact CD2-CE1 3.21Å; H1850-H2094 PolarHBondContact CD2-CE1 3.3Å; H1850-H2094 AromaticContact CD2-NE2 3.79Å; H1850-H2094 AromaticContact CE1-CE1 3.69Å; H1850-H2094 AromaticContact CE1-ND1 3.94Å; H1850-H2094 AromaticContact CG-CE1 3.6Å; H1850-H2094 AromaticContact ND1-CE1 3.79Å; H1850-H2094 AromaticContact NE2-CE1 3.32Å; H1850-H2094 PolarHBondContact NE2-CE1 3.26Å; H1850-H2094 VanDerWaalsContact NE2-CE1 3.32Å; H1850-H2094 AromaticContact NE2-ND1 3.87Å; H1850-H2094 AromaticContact NE2-NE2 3.98Å |
| 1851 | V | 48.4 | Very low | 44.7 | Very low | 55.2 Ų | 55.2 | 66.1 Ų | 66.1 | 34% | 0.335 | 38% | 0.382 | S | S | . | . | trans | -107.8 | 95.9 | 171.1 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | L1829 H1841 I1849 T1853 A1854 I1858 | L1829-V1851 HydrophobicContact CB-CG2 4.04Å; H1841-V1851 HydrophobicContact CB-CG2 4.32Å; H1841-V1851 PolarHBondContact CE1-O 2.77Å; H1841-V1851 VanDerWaalsContact CE1-O 3.29Å; H1841-V1851 PolarHBondContact ND1-N 3.2Å; I1849-V1851 HydrophobicContact CB-CG2 4.41Å; I1849-V1851 HydrophobicContact CG2-CG2 3.87Å; I1849-V1851 VanDerWaalsContact CG2-CG2 3.44Å; I1849-V1851 PolarHBondContact O-N 3.28Å; V1851-T1853 WeakPolarHBondContact CG1-OG1 3.08Å; V1851-T1853 CarbonylContact O-C 3.27Å; V1851-T1853 PolarHBondContact O-N 3.28Å; V1851-A1854 HydrophobicContact CB-CB 4.03Å; V1851-A1854 HydrophobicContact CG1-CB 4.05Å; V1851-A1854 PolarHBondContact O-N 2.8Å; V1851-I1858 HydrophobicContact CG1-CD1 4.05Å | ||
| 1852 | T | 39.7 | Very low | 43.9 | Very low | 26.2 Ų | 26.2 | 66.7 Ų | 66.7 | 16% | 0.161 | 40% | 0.397 | C | S | . | . | trans | -96.6 | 93.9 | -178.8 | 42.1 | 0 | 0 | 0 | 0 | 111.6 | Q1830 H1850 A1854 S2091 | Q1830-T1852 WeakPolarHBondContact CG-O 3.47Å; Q1830-T1852 VanDerWaalsContact NE2-CB 3.33Å; Q1830-T1852 PolarHBondContact NE2-O 3.08Å; Q1830-T1852 PolarHBondContact NE2-OG1 3.06Å; H1850-T1852 WeakPolarHBondContact CE1-CG2 3.37Å; H1850-T1852 PolarHBondContact CE1-OG1 3.39Å; H1850-T1852 WeakPolarHBondContact ND1-CG2 3.29Å; H1850-T1852 PolarHBondContact ND1-OG1 3.15Å; H1850-T1852 WeakPolarHBondContact NE2-CG2 3.39Å; T1852-A1854 PolarHBondContact O-N 3.04Å; T1852-S2091 VanDerWaalsContact CB-OG 3.29Å; T1852-S2091 WeakPolarHBondContact CB-OG 3.43Å; T1852-S2091 WeakPolarHBondContact CG2-OG 3.4Å | ||
| 1853 | T | 39.6 | Very low | 42.8 | Very low | 65 Ų | 65 | 70.2 Ų | 70.2 | 40% | 0.399 | 42% | 0.424 | S | S | . | . | trans | 34.9 | 70.2 | 165 | 65.4 | 0 | 0 | 0 | 0 | 114.2 | V1851 E1855 S2099 L2100 A2101 E2564 | V1851-T1853 WeakPolarHBondContact CG1-OG1 3.08Å; V1851-T1853 CarbonylContact O-C 3.27Å; V1851-T1853 PolarHBondContact O-N 3.28Å; T1853-E1855 PolarHBondContact O-N 2.04Å; T1853-S2099 VanDerWaalsContact CG2-C 3.49Å; T1853-S2099 WeakPolarHBondContact CG2-OG 3.38Å; T1853-S2099 WeakPolarHBondContact OG1-CA 3.41Å; T1853-S2099 WeakPolarHBondContact OG1-CB 3.32Å; T1853-L2100 WeakPolarHBondContact CB-O 3.23Å; T1853-L2100 PolarHBondContact OG1-N 3.16Å; T1853-L2100 PolarHBondContact OG1-O 3.07Å; T1853-A2101 HydrophobicContact CG2-CB 3.93Å; T1853-E2564 WeakPolarHBondContact CG2-OE2 3.24Å | ||
| 1854 | A | 38.9 | Very low | 41.7 | Very low | 29.6 Ų | 29.6 | 75.9 Ų | 75.9 | 25% | 0.245 | 45% | 0.446 | C | S | . | . | trans | -125.1 | 107 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108 | E1831 H1841 V1851 T1852 D1856 I1858 | E1831-A1854 HydrophobicContact CG-CB 4.12Å; E1831-A1854 VanDerWaalsContact OE1-CA 3.25Å; E1831-A1854 WeakPolarHBondContact OE1-CA 3.49Å; E1831-A1854 WeakPolarHBondContact OE1-CB 3.3Å; H1841-A1854 WeakPolarHBondContact NE2-CB 3.28Å; V1851-A1854 HydrophobicContact CB-CB 4.03Å; V1851-A1854 HydrophobicContact CG1-CB 4.05Å; V1851-A1854 PolarHBondContact O-N 2.8Å; T1852-A1854 PolarHBondContact O-N 3.04Å; A1854-D1856 VanDerWaalsContact C-N 3.33Å; A1854-D1856 PolarHBondContact O-N 3.49Å; A1854-D1856 VanDerWaalsContact O-N 3.13Å; A1854-I1858 HydrophobicContact CB-CD1 4Å; A1854-I1858 HydrophobicContact CB-CG1 4.31Å | ||
| 1855 | E | 41 | Very low | 40.9 | Very low | 132.4 Ų | 132.4 | 80.2 Ų | 80.2 | 62% | 0.619 | 46% | 0.464 | S | S | * | . | trans | -80.5 | 74.7 | 162.2 | -60.6 | -168.7 | 134.6 | 0 | 0 | 109.7 | T1853 Q1857 H2095 N2096 Y2097 A2101 R2102 P2103 | T1853-E1855 PolarHBondContact O-N 2.04Å; E1855-Q1857 PolarHBondContact O-N 3.23Å; E1855-H2095 WeakPolarHBondContact OE1-CA 3.11Å; E1855-H2095 PolarHBondContact OE1-N 2.9Å; E1855-N2096 WeakPolarHBondContact OE1-CA 3.24Å; E1855-N2096 PolarHBondContact OE1-OD1 3.03Å; E1855-N2096 VanDerWaalsContact OE2-CA 3.26Å; E1855-N2096 WeakPolarHBondContact OE2-CA 3.24Å; E1855-Y2097 HydrophobicContact CB-CD2 3.53Å; E1855-Y2097 HydrophobicContact CB-CE2 3.63Å; E1855-Y2097 PolarHBondContact OE2-N 2.85Å; E1855-A2101 HydrophobicContact CB-CB 3.64Å; E1855-A2101 HydrophobicContact CG-CB 3.98Å; E1855-A2101 VanDerWaalsContact O-CA 3.31Å; E1855-A2101 WeakPolarHBondContact O-CA 3.38Å; E1855-R2102 CarbonylContact C-O 3.49Å; E1855-R2102 VanDerWaalsContact CB-C 3.42Å; E1855-R2102 PolarHBondContact O-N 2.94Å; E1855-P2103 HydrophobicContact CB-CB 4.05Å; E1855-P2103 HydrophobicContact CG-CB 4.28Å; E1855-P2103 WeakPolarHBondContact OE2-CD 3.39Å | ||
| 1856 | D | 41 | Very low | 39.9 | Very low | 87 Ų | 87 | 85 Ų | 85 | 47% | 0.465 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -58.2 | 86.7 | -175.2 | -79.6 | -64.4 | 0 | 0 | 0 | 113.2 | E1831 V1835 H1841 A1854 I1858 C1859 Y2097 R2102 | E1831-D1856 PolarHBondContact N-OD1 3.41Å; E1831-D1856 PolarHBondContact N-OD2 3.22Å; V1835-D1856 WeakPolarHBondContact CB-OD2 3.36Å; V1835-D1856 WeakPolarHBondContact CG1-OD2 3.32Å; V1835-D1856 WeakPolarHBondContact CG2-OD2 3.47Å; H1841-D1856 IonicContact CD2-OD1 3.16Å; H1841-D1856 IonicContact CD2-OD2 2.7Å; H1841-D1856 IonicContact NE2-OD1 2.84Å; H1841-D1856 IonicContact NE2-OD2 3.65Å; A1854-D1856 VanDerWaalsContact C-N 3.33Å; A1854-D1856 PolarHBondContact O-N 3.49Å; A1854-D1856 VanDerWaalsContact O-N 3.13Å; D1856-I1858 VanDerWaalsContact C-N 3.27Å; D1856-I1858 HydrophobicContact CB-CG2 4.34Å; D1856-I1858 PolarHBondContact O-N 3.22Å; D1856-C1859 PolarHBondContact O-N 3.34Å; D1856-Y2097 WeakPolarHBondContact CA-OH 3.19Å; D1856-Y2097 PolarHBondContact OD1-OH 3.01Å; D1856-Y2097 VanDerWaalsContact OD2-CE2 3.26Å; D1856-Y2097 WeakPolarHBondContact OD2-CE2 3.13Å; D1856-Y2097 PolarHBondContact OD2-OH 2.82Å; D1856-R2102 WeakPolarHBondContact CA-O 3.43Å; D1856-R2102 PolarHBondContact N-O 2.99Å; D1856-R2102 WeakPolarHBondContact OD2-CB 3.24Å; D1856-R2102 PolarHBondContact OD2-N 2.96Å |
| 1857 | Q | 44.5 | Very low | 39.2 | Very low | 147 Ų | 147 | 89.4 Ų | 89.4 | 69% | 0.687 | 50% | 0.501 | S | S | * | . | trans | 18.7 | 8.7 | 158.2 | -70.8 | -169.3 | 3.5 | 0 | 0 | 117.2 | E1831 E1855 C1859 G1860 P2103 G2105 | E1831-Q1857 VanDerWaalsContact CD-N 3.28Å; E1831-Q1857 WeakPolarHBondContact OE1-CB 3.39Å; E1831-Q1857 WeakPolarHBondContact OE1-CG 3.14Å; E1831-Q1857 PolarHBondContact OE1-N 3.45Å; E1831-Q1857 PolarHBondContact OE2-N 3.43Å; E1831-Q1857 VanDerWaalsContact OE2-N 3.17Å; E1855-Q1857 PolarHBondContact O-N 3.23Å; Q1857-C1859 PolarHBondContact O-N 3.14Å; Q1857-C1859 VanDerWaalsContact O-N 3.16Å; Q1857-G1860 VanDerWaalsContact C-N 3.35Å; Q1857-G1860 PolarHBondContact O-N 3.17Å; Q1857-G1860 VanDerWaalsContact O-N 3.12Å; Q1857-P2103 PolarHBondContact NE2-O 3.14Å; Q1857-G2105 PolarHBondContact NE2-O 3.16Å | ||
| 1858 | I | 49.3 | Very low | 38.1 | Very low | 65 Ų | 65 | 99.7 Ų | 99.7 | 33% | 0.333 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -64.2 | 60.3 | 173.1 | -75 | 174 | 0 | 0 | 0 | 109.8 | E1831 P1833 L1834 C1836 V1851 A1854 D1856 G1860 | E1831-I1858 WeakPolarHBondContact OE2-CB 2.84Å; E1831-I1858 VanDerWaalsContact OE2-CG2 3.31Å; E1831-I1858 WeakPolarHBondContact OE2-CG2 3.02Å; E1831-I1858 PolarHBondContact OE2-N 2.94Å; P1833-I1858 HydrophobicContact CG-CD1 3.85Å; L1834-I1858 HydrophobicContact CB-CD1 4.35Å; L1834-I1858 HydrophobicContact CB-CG1 4.49Å; L1834-I1858 HydrophobicContact CB-CG2 4.45Å; L1834-I1858 HydrophobicContact CD1-CD1 4.04Å; C1836-I1858 VanDerWaalsContact SG-CA 3.6Å; V1851-I1858 HydrophobicContact CG1-CD1 4.05Å; A1854-I1858 HydrophobicContact CB-CD1 4Å; A1854-I1858 HydrophobicContact CB-CG1 4.31Å; D1856-I1858 VanDerWaalsContact C-N 3.27Å; D1856-I1858 HydrophobicContact CB-CG2 4.34Å; D1856-I1858 PolarHBondContact O-N 3.22Å; I1858-G1860 VanDerWaalsContact C-N 3.33Å; I1858-G1860 PolarHBondContact O-N 2.79Å |
| 1859 | C | 45.4 | Very low | 37.2 | Very low | 66.6 Ų | 66.6 | 104.8 Ų | 104.8 | 45% | 0.45 | 57% | 0.567 | S | S | . | * | S | Bend | trans | 45.7 | 41.3 | -178.5 | -50.6 | 0 | 0 | 0 | 0 | 113.9 | C1836 Q1839 D1856 Q1857 G1861 | C1836-C1859 VanDerWaalsContact CA-SG 3.51Å; C1836-C1859 WeakPolarHBondContact CA-SG 3.47Å; C1836-C1859 HydrophobicContact CB-CB 3.98Å; C1836-C1859 WeakPolarHBondContact CB-SG 3.39Å; C1836-C1859 PolarHBondContact N-SG 3.33Å; C1836-C1859 WeakPolarHBondContact SG-CA 3.33Å; C1836-C1859 WeakPolarHBondContact SG-CB 3.23Å; C1836-C1859 PolarHBondContact SG-N 2.99Å; C1836-C1859 CovalentContact SG-SG 2.04Å; C1836-C1859 PolarHBondContact SG-SG 3.14Å; Q1839-C1859 PolarHBondContact NE2-SG 2.99Å; Q1839-C1859 PolarHBondContact OE1-SG 3.09Å; D1856-C1859 PolarHBondContact O-N 3.34Å; Q1857-C1859 PolarHBondContact O-N 3.14Å; Q1857-C1859 VanDerWaalsContact O-N 3.16Å; C1859-G1861 PolarHBondContact O-N 3.09Å |
| 1860 | G | 36.7 | Very low | 36 | Very low | 51.4 Ų | 51.4 | 108.6 Ų | 108.6 | 53% | 0.53 | 59% | 0.588 | S | S | . | * | trans | -51.7 | 112.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q1857 I1858 S1862 | Q1857-G1860 VanDerWaalsContact C-N 3.35Å; Q1857-G1860 PolarHBondContact O-N 3.17Å; Q1857-G1860 VanDerWaalsContact O-N 3.12Å; I1858-G1860 VanDerWaalsContact C-N 3.33Å; I1858-G1860 PolarHBondContact O-N 2.79Å; G1860-S1862 VanDerWaalsContact C-N 3.27Å; G1860-S1862 PolarHBondContact O-N 3.05Å | ||
| 1861 | G | 29.4 | Very low | 35.2 | Very low | 80.4 Ų | 80.4 | 111.3 Ų | 111.3 | 83% | 0.829 | 61% | 0.612 | S | S | * | * | trans | -74.9 | 82.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | C1859 S1863 | C1859-G1861 PolarHBondContact O-N 3.09Å; G1861-S1863 PolarHBondContact O-N 3.01Å; G1861-S1863 VanDerWaalsContact O-N 3.12Å | ||
| 1862 | S | 33.3 | Very low | 34.3 | Very low | 102.2 Ų | 102.2 | 114.1 Ų | 114.1 | 72% | 0.715 | 63% | 0.629 | S | S | * | * | trans | -118.9 | 107.6 | 168 | 64.9 | 0 | 0 | 0 | 0 | 111.9 | G1860 F1864 | G1860-S1862 VanDerWaalsContact C-N 3.27Å; G1860-S1862 PolarHBondContact O-N 3.05Å; S1862-F1864 PolarHBondContact O-N 2.89Å | ||
| 1863 | S | 30.3 | Very low | 33.8 | Very low | 104.6 Ų | 104.6 | 117.4 Ų | 117.4 | 73% | 0.731 | 65% | 0.653 | S | S | * | * | trans | -32.4 | 84 | 174.7 | -45.6 | 0 | 0 | 0 | 0 | 114.2 | G1861 K1865 | G1861-S1863 PolarHBondContact O-N 3.01Å; G1861-S1863 VanDerWaalsContact O-N 3.12Å; S1863-K1865 PolarHBondContact O-N 3.01Å | ||
| 1864 | F | 28.8 | Very low | 33.4 | Very low | 205 Ų | 205 | 120.5 Ų | 120.5 | 90% | 0.899 | 67% | 0.667 | S | S | * | * | trans | -81.9 | 65.6 | 165.5 | -136.2 | -79.5 | 0 | 0 | 0 | 110.7 | S1862 Q1866 | S1862-F1864 PolarHBondContact O-N 2.89Å; F1864-Q1866 VanDerWaalsContact C-N 3.31Å; F1864-Q1866 HydrophobicContact CD1-CG 4.43Å; F1864-Q1866 PolarHBondContact O-N 2.93Å | ||
| 1865 | K | 28.9 | Very low | 33.1 | Very low | 185.8 Ų | 185.8 | 125.4 Ų | 125.4 | 81% | 0.808 | 69% | 0.69 | S | S | * | * | trans | -77.9 | 112.3 | 172.6 | -79.3 | -174.4 | 177 | 176.5 | 0 | 109.2 | S1863 Q1867 | S1863-K1865 PolarHBondContact O-N 3.01Å; K1865-Q1867 VanDerWaalsContact C-N 3.35Å; K1865-Q1867 PolarHBondContact O-N 3.04Å | ||
| 1866 | Q | 27 | Very low | 32.6 | Very low | 175.6 Ų | 175.6 | 126.4 Ų | 126.4 | 82% | 0.821 | 70% | 0.698 | S | S | * | * | trans | -62.1 | 104.3 | 170.4 | -65.9 | 174 | -17.6 | 0 | 0 | 109.8 | F1864 R1868 | F1864-Q1866 VanDerWaalsContact C-N 3.31Å; F1864-Q1866 HydrophobicContact CD1-CG 4.43Å; F1864-Q1866 PolarHBondContact O-N 2.93Å; Q1866-R1868 VanDerWaalsContact C-N 3.31Å; Q1866-R1868 PolarHBondContact O-N 3.2Å; Q1866-R1868 VanDerWaalsContact O-N 3.08Å | ||
| 1867 | Q | 28 | Very low | 32.1 | Very low | 184.4 Ų | 184.4 | 126.9 Ų | 126.9 | 86% | 0.862 | 71% | 0.709 | S | S | * | * | trans | -84.4 | 111.5 | 156 | -83.6 | -176.1 | -28.3 | 0 | 0 | 109.2 | K1865 V1869 | K1865-Q1867 VanDerWaalsContact C-N 3.35Å; K1865-Q1867 PolarHBondContact O-N 3.04Å; Q1867-V1869 HydrophobicContact CB-CG2 4.43Å; Q1867-V1869 PolarHBondContact O-N 3.24Å | ||
| 1868 | R | 25 | Very low | 31.5 | Very low | 229.2 Ų | 229.2 | 127.8 Ų | 127.8 | 87% | 0.865 | 72% | 0.718 | S | S | * | * | trans | -76.4 | 127.6 | 168.6 | -74 | 179.1 | 172.6 | 168.5 | -3.5 | 108.3 | Q1866 N1870 | Q1866-R1868 VanDerWaalsContact C-N 3.31Å; Q1866-R1868 PolarHBondContact O-N 3.2Å; Q1866-R1868 VanDerWaalsContact O-N 3.08Å; R1868-N1870 PolarHBondContact O-N 3.16Å; R1868-N1870 VanDerWaalsContact O-N 3.16Å | ||
| 1869 | V | 27.7 | Very low | 30.5 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | -121.3 | 131.5 | 126.7 | 161.7 | 0 | 0 | 0 | 0 | 108.2 | Q1867 S1871 | Q1867-V1869 HydrophobicContact CB-CG2 4.43Å; Q1867-V1869 PolarHBondContact O-N 3.24Å; V1869-S1871 PolarHBondContact O-N 3.09Å | |||
| 1870 | N | 28.4 | Very low | 29.8 | Very low | 124.4 Ų | 124.4 | 130.6 Ų | 130.6 | 67% | 0.665 | 75% | 0.747 | S | S | * | * | trans | -75.4 | 136.6 | 153.9 | -76.4 | -15.1 | 0 | 0 | 0 | 113.6 | R1868 T1872 T1893 T1894 | R1868-N1870 PolarHBondContact O-N 3.16Å; R1868-N1870 VanDerWaalsContact O-N 3.16Å; N1870-T1872 VanDerWaalsContact C-N 3.29Å; N1870-T1872 PolarHBondContact O-N 3.15Å; N1870-T1893 WeakPolarHBondContact OD1-CG2 3.25Å; N1870-T1894 PolarHBondContact OD1-N 3.38Å | ||
| 1871 | S | 27.8 | Very low | 29.4 | Very low | 100.2 Ų | 100.2 | 137 Ų | 137 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | 165.5 | 139.1 | 108.2 | 22.2 | 0 | 0 | 0 | 0 | 116.3 | V1869 | V1869-S1871 PolarHBondContact O-N 3.09Š| |||
| 1872 | T | 29.9 | Very low | 29.4 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | trans | -13.5 | 133.4 | 137.2 | 39.7 | 0 | 0 | 0 | 0 | 114.7 | N1870 E1891 T1892 T1893 | N1870-T1872 VanDerWaalsContact C-N 3.29Å; N1870-T1872 PolarHBondContact O-N 3.15Å; T1872-E1891 PolarHBondContact OG1-O 2.75Å; T1872-T1892 WeakPolarHBondContact CG2-O 3.24Å; T1872-T1892 PolarHBondContact OG1-O 3.46Å; T1872-T1893 VanDerWaalsContact CG2-N 3.28Å; T1872-T1893 PolarHBondContact N-O 3.49Å; T1872-T1893 PolarHBondContact OG1-N 3.37Å | ||
| 1873 | S | 29.6 | Very low | 29.3 | Very low | 96 Ų | 96 | 143.9 Ų | 143.9 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | 154.6 | 150.8 | 97.7 | 54.3 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1874 | D | 30.7 | Very low | 29.6 | Very low | 129.8 Ų | 129.8 | 143.9 Ų | 143.9 | 69% | 0.694 | 76% | 0.761 | S | S | * | * | 168.5 | 139.8 | 50.8 | -93.8 | -13.4 | 0 | 0 | 0 | 112.2 | |||||
| 1875 | N | 31.4 | Very low | 29.7 | Very low | 132.6 Ų | 132.6 | 145.8 Ų | 145.8 | 71% | 0.709 | 76% | 0.762 | S | S | * | * | trans | 63.5 | 143.7 | 142.7 | -58.6 | -38.8 | 0 | 0 | 0 | 120.5 | ||||
| 1876 | L | 31.8 | Very low | 29.7 | Very low | 153.6 Ų | 153.6 | 144.9 Ų | 144.9 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | 174.4 | 141.7 | 67.5 | -115.8 | 72.7 | 0 | 0 | 0 | 113.6 | |||||
| 1877 | S | 30.3 | Very low | 29.9 | Very low | 97.2 Ų | 97.2 | 142.7 Ų | 142.7 | 68% | 0.68 | 76% | 0.755 | S | S | * | * | 66.6 | 140.6 | 72.4 | 48.7 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1878 | D | 30.9 | Very low | 30 | Very low | 166.8 Ų | 166.8 | 141.9 Ų | 141.9 | 89% | 0.892 | 75% | 0.748 | S | S | * | * | 119.5 | 152.5 | 119.3 | -154.1 | 11.5 | 0 | 0 | 0 | 115.7 | |||||
| 1879 | G | 29.6 | Very low | 30.1 | Very low | 54 Ų | 54 | 137.7 Ų | 137.7 | 56% | 0.557 | 74% | 0.742 | S | S | * | * | trans | 92.1 | 132.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1880 | T | 31.3 | Very low | 30.2 | Very low | 135 Ų | 135 | 137.8 Ų | 137.8 | 83% | 0.828 | 74% | 0.743 | S | S | * | * | -176.8 | 136.6 | 91.9 | 9.8 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1881 | K | 27.8 | Very low | 30.2 | Very low | 186.8 Ų | 186.8 | 139.5 Ų | 139.5 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | trans | -38.2 | 149.3 | 162.7 | -76.8 | -179.3 | 177.6 | -175 | 0 | 114.1 | ||||
| 1882 | I | 29.9 | Very low | 30.3 | Very low | 158.2 Ų | 158.2 | 140.2 Ų | 140.2 | 81% | 0.811 | 75% | 0.747 | S | S | * | * | trans | 171.6 | 124.9 | 134.2 | -67.4 | 166.6 | 0 | 0 | 0 | 113 | ||||
| 1883 | E | 29.7 | Very low | 30.2 | Very low | 168 Ų | 168 | 140 Ų | 140 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | -70.7 | 166.9 | 165.7 | -79.9 | 167.7 | -176.2 | 0 | 0 | 116.3 | ||||
| 1884 | P | 36.8 | Very low | 30.1 | Very low | 105.2 Ų | 105.2 | 140.7 Ų | 140.7 | 68% | 0.683 | 75% | 0.746 | S | S | * | * | trans | -114.6 | -179.8 | -145.4 | 40 | -28.9 | 0 | 0 | 0 | 115.5 | ||||
| 1885 | W | 30.8 | Very low | 30.1 | Very low | 244.4 Ų | 244.4 | 141.3 Ų | 141.3 | 93% | 0.926 | 75% | 0.749 | S | S | * | * | trans | -162.7 | 135.7 | 157.4 | -111.5 | -66.4 | 0 | 0 | 0 | 113.1 | ||||
| 1886 | E | 29.8 | Very low | 30 | Very low | 166.8 Ų | 166.8 | 140.2 Ų | 140.2 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | trans | -105.8 | 158.1 | 172.4 | -75.6 | 173 | 149.2 | 0 | 0 | 114.9 | ||||
| 1887 | D | 31 | Very low | 29.9 | Very low | 129.8 Ų | 129.8 | 140.6 Ų | 140.6 | 69% | 0.694 | 75% | 0.746 | S | S | * | * | 85.2 | 136.4 | 129.9 | -116.7 | 15.1 | 0 | 0 | 0 | 121.4 | |||||
| 1888 | K | 29.5 | Very low | 29.8 | Very low | 168 Ų | 168 | 140.9 Ų | 140.9 | 73% | 0.73 | 74% | 0.743 | S | S | * | * | trans | 123.2 | 138.4 | 148.1 | -81.2 | -176.6 | -172.7 | 142.6 | 0 | 119.7 | ||||
| 1889 | L | 28.5 | Very low | 29.7 | Very low | 141.8 Ų | 141.8 | 139.8 Ų | 139.8 | 74% | 0.742 | 74% | 0.736 | S | S | * | * | trans | 87.1 | 117.2 | 147.4 | -70.9 | 166.1 | 0 | 0 | 0 | 116.8 | E1891 | L1889-E1891 VanDerWaalsContact C-N 3.29Å; L1889-E1891 HydrophobicContact CD2-CB 4.15Å; L1889-E1891 PolarHBondContact O-N 2.81Å; L1889-E1891 VanDerWaalsContact O-N 3.17Å | ||
| 1890 | T | 27.9 | Very low | 29.6 | Very low | 120.2 Ų | 120.2 | 143.7 Ų | 143.7 | 74% | 0.737 | 74% | 0.743 | S | S | * | * | 58.1 | 129.9 | 109.7 | 55.7 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 1891 | E | 29.5 | Very low | 29.5 | Very low | 161.4 Ų | 161.4 | 144.1 Ų | 144.1 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | 159.3 | 137.4 | 102.7 | -87.3 | 174.7 | 176.7 | 0 | 0 | 117.9 | T1872 L1889 | T1872-E1891 PolarHBondContact OG1-O 2.75Å; L1889-E1891 VanDerWaalsContact C-N 3.29Å; L1889-E1891 HydrophobicContact CD2-CB 4.15Å; L1889-E1891 PolarHBondContact O-N 2.81Å; L1889-E1891 VanDerWaalsContact O-N 3.17Å | |||
| 1892 | T | 29.2 | Very low | 29.6 | Very low | 114.2 Ų | 114.2 | 141.6 Ų | 141.6 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | trans | 83.8 | 141.8 | 139 | 44.1 | 0 | 0 | 0 | 0 | 117.8 | T1872 | T1872-T1892 WeakPolarHBondContact CG2-O 3.24Å; T1872-T1892 PolarHBondContact OG1-O 3.46Å | ||
| 1893 | T | 28.7 | Very low | 29.5 | Very low | 109.2 Ų | 109.2 | 138.2 Ų | 138.2 | 67% | 0.67 | 73% | 0.725 | S | S | * | * | -144.3 | 153.8 | 75.9 | 27.8 | 0 | 0 | 0 | 0 | 113.7 | N1870 T1872 | N1870-T1893 WeakPolarHBondContact OD1-CG2 3.25Å; T1872-T1893 VanDerWaalsContact CG2-N 3.28Å; T1872-T1893 PolarHBondContact N-O 3.49Å; T1872-T1893 PolarHBondContact OG1-N 3.37Å | |||
| 1894 | T | 28.2 | Very low | 29.5 | Very low | 111.2 Ų | 111.2 | 138.9 Ų | 138.9 | 68% | 0.682 | 73% | 0.726 | S | S | * | * | 78 | 147.5 | 125.3 | 38.1 | 0 | 0 | 0 | 0 | 116.8 | N1870 | N1870-T1894 PolarHBondContact OD1-N 3.38Š| |||
| 1895 | D | 30.2 | Very low | 29.2 | Very low | 142.2 Ų | 142.2 | 141.6 Ų | 141.6 | 76% | 0.76 | 73% | 0.729 | S | S | * | * | trans | 128.9 | 138.2 | 130.4 | -92.8 | -22.4 | 0 | 0 | 0 | 120.5 | ||||
| 1896 | T | 28.1 | Very low | 29.1 | Very low | 109.6 Ų | 109.6 | 136.6 Ų | 136.6 | 67% | 0.672 | 72% | 0.72 | S | S | * | * | trans | -174.3 | 138.6 | 169.7 | 54 | 0 | 0 | 0 | 0 | 116.2 | R2120 | T1896-R2120 HydrophobicContact CG2-CB 4.5Š| ||
| 1897 | Q | 30.7 | Very low | 29 | Very low | 163.4 Ų | 163.4 | 134.8 Ų | 134.8 | 76% | 0.764 | 71% | 0.714 | S | S | * | * | trans | 179.8 | 134.2 | 134.3 | -85.4 | -176.4 | 23.4 | 0 | 0 | 115.6 | I1899 R2120 | Q1897-I1899 PolarHBondContact O-N 3.44Å; Q1897-R2120 HydrophobicContact CG-CB 4.48Å; Q1897-R2120 PolarHBondContact N-O 2.99Å | ||
| 1898 | T | 28 | Very low | 28.9 | Very low | 102.6 Ų | 102.6 | 135.2 Ų | 135.2 | 63% | 0.629 | 71% | 0.712 | S | S | * | * | trans | -100 | 155.1 | 143.4 | 24.1 | 0 | 0 | 0 | 0 | 111.5 | I1900 N2121 P2122 | T1898-I1900 HydrophobicContact CG2-CD1 3.99Å; T1898-I1900 HydrophobicContact CG2-CG1 3.78Å; T1898-I1900 PolarHBondContact OG1-N 3.43Å; T1898-N2121 HydrophobicContact CG2-CB 3.54Å; T1898-N2121 VanDerWaalsContact N-C 3.34Å; T1898-N2121 VanDerWaalsContact N-CA 3.29Å; T1898-N2121 PolarHBondContact N-O 2.76Å; T1898-N2121 VanDerWaalsContact N-O 3.09Å; T1898-N2121 WeakPolarHBondContact OG1-CB 3.06Å; T1898-N2121 VanDerWaalsContact OG1-CG 3.24Å; T1898-N2121 PolarHBondContact OG1-ND2 2.8Å; T1898-P2122 VanDerWaalsContact CG2-CD 3.45Å; T1898-P2122 HydrophobicContact CG2-CG 3.87Å; T1898-P2122 VanDerWaalsContact CG2-N 3.27Å; T1898-P2122 WeakPolarHBondContact CG2-O 3.35Å | ||
| 1899 | I | 28.9 | Very low | 28.9 | Very low | 144.6 Ų | 144.6 | 134.1 Ų | 134.1 | 74% | 0.742 | 71% | 0.714 | S | S | * | * | trans | -148.8 | 133.7 | 153.2 | -80.3 | 170.5 | 0 | 0 | 0 | 113.1 | Q1897 L1901 | Q1897-I1899 PolarHBondContact O-N 3.44Å; I1899-L1901 HydrophobicContact CG2-CD1 4.29Å; I1899-L1901 HydrophobicContact CG2-CG 4.26Å | ||
| 1900 | I | 28.4 | Very low | 28.8 | Very low | 134.6 Ų | 134.6 | 134.8 Ų | 134.8 | 69% | 0.69 | 71% | 0.711 | S | S | * | * | trans | -81.8 | 129.9 | 167.5 | -55.8 | 170.8 | 0 | 0 | 0 | 113.4 | T1898 D1902 P2122 | T1898-I1900 HydrophobicContact CG2-CD1 3.99Å; T1898-I1900 HydrophobicContact CG2-CG1 3.78Å; T1898-I1900 PolarHBondContact OG1-N 3.43Å; I1900-D1902 HydrophobicContact CG2-CB 4.34Å; I1900-P2122 HydrophobicContact CD1-CG 4.38Å | ||
| 1901 | L | 28 | Very low | 28.9 | Very low | 143.2 Ų | 143.2 | 135.2 Ų | 135.2 | 75% | 0.75 | 71% | 0.713 | S | S | * | * | trans | 121.6 | 133.3 | 139.3 | -74.1 | 169.6 | 0 | 0 | 0 | 113.2 | I1899 | I1899-L1901 HydrophobicContact CG2-CD1 4.29Å; I1899-L1901 HydrophobicContact CG2-CG 4.26Å | ||
| 1902 | D | 29.3 | Very low | 28.9 | Very low | 135.2 Ų | 135.2 | 133.2 Ų | 133.2 | 72% | 0.723 | 71% | 0.712 | S | S | * | * | cis | 171.1 | 152.8 | 40.7 | -140.7 | -5.7 | 0 | 0 | 0 | 114.1 | I1900 | I1900-D1902 HydrophobicContact CG2-CB 4.34Š| ||
| 1903 | S | 29.4 | Very low | 29 | Very low | 87.6 Ų | 87.6 | 135 Ų | 135 | 61% | 0.613 | 72% | 0.717 | S | S | * | * | trans | 67.7 | 120.1 | 149.4 | 52.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1904 | K | 28.9 | Very low | 29 | Very low | 182.6 Ų | 182.6 | 134.8 Ų | 134.8 | 79% | 0.794 | 72% | 0.717 | S | S | * | * | 69.3 | 135.7 | 115.6 | -82.4 | 177.5 | 177.9 | -164 | 0 | 119.5 | |||||
| 1905 | E | 30.1 | Very low | 29.1 | Very low | 161.6 Ų | 161.6 | 135.5 Ų | 135.5 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | 149.9 | 154.2 | 125.7 | -100.1 | 178.6 | -178.4 | 0 | 0 | 111.7 | L1907 | E1905-L1907 HydrophobicContact CG-CD1 4.45Š| |||
| 1906 | L | 28.1 | Very low | 28.9 | Very low | 139.4 Ų | 139.4 | 131.9 Ų | 131.9 | 73% | 0.73 | 72% | 0.721 | S | S | * | * | cis | -153 | 153.9 | -3.8 | -97.8 | 135.5 | 0 | 0 | 0 | 112 | ||||
| 1907 | L | 28.7 | Very low | 28.8 | Very low | 127.4 Ų | 127.4 | 133.9 Ų | 133.9 | 67% | 0.667 | 73% | 0.726 | S | S | * | * | trans | 90.3 | 148.4 | 148.4 | -91.5 | 128.4 | 0 | 0 | 0 | 114.7 | E1905 D1909 | E1905-L1907 HydrophobicContact CG-CD1 4.45Å; L1907-D1909 PolarHBondContact O-N 3Å | ||
| 1908 | E | 27.9 | Very low | 28.6 | Very low | 138.8 Ų | 138.8 | 132.3 Ų | 132.3 | 65% | 0.649 | 73% | 0.727 | S | S | * | * | 26.7 | 118.4 | 125.3 | -76.6 | 176.4 | -167.1 | 0 | 0 | 117.1 | K1910 | E1908-K1910 PolarHBondContact O-N 2.71Å; E1908-K1910 WeakPolarHBondContact OE2-CE 3.09Å; E1908-K1910 IonicContact OE2-NZ 2.84Å; E1908-K1910 PolarHBondContact OE2-NZ 3.18Å | |||
| 1909 | D | 30.6 | Very low | 28.5 | Very low | 144.8 Ų | 144.8 | 132.5 Ų | 132.5 | 77% | 0.774 | 73% | 0.728 | S | S | * | * | trans | -130 | 149.8 | 133.2 | -122.5 | -22.1 | 0 | 0 | 0 | 114.4 | L1907 V1911 | L1907-D1909 PolarHBondContact O-N 3Å; D1909-V1911 PolarHBondContact O-N 3.11Å | ||
| 1910 | K | 26.8 | Very low | 28.4 | Very low | 156.6 Ų | 156.6 | 135 Ų | 135 | 68% | 0.681 | 73% | 0.733 | S | S | * | * | trans | -111.8 | 156.5 | -167.9 | -78.7 | 170 | -177.7 | 115.9 | 0 | 112.3 | E1908 T1912 | E1908-K1910 PolarHBondContact O-N 2.71Å; E1908-K1910 WeakPolarHBondContact OE2-CE 3.09Å; E1908-K1910 IonicContact OE2-NZ 2.84Å; E1908-K1910 PolarHBondContact OE2-NZ 3.18Å; K1910-T1912 VanDerWaalsContact C-N 3.33Å; K1910-T1912 PolarHBondContact O-N 3.01Å | ||
| 1911 | V | 29.8 | Very low | 28.4 | Very low | 128.4 Ų | 128.4 | 137 Ų | 137 | 78% | 0.778 | 74% | 0.739 | S | S | * | * | trans | 148.9 | 122.1 | 147.1 | 171.2 | 0 | 0 | 0 | 0 | 114.1 | D1909 L1913 | D1909-V1911 PolarHBondContact O-N 3.11Å; V1911-L1913 PolarHBondContact O-N 2.75Å | ||
| 1912 | T | 29.1 | Very low | 28.5 | Very low | 120.2 Ų | 120.2 | 135.3 Ų | 135.3 | 74% | 0.737 | 74% | 0.737 | S | S | * | * | trans | 30.4 | 120.5 | 172.1 | 54.5 | 0 | 0 | 0 | 0 | 119.1 | K1910 | K1910-T1912 VanDerWaalsContact C-N 3.33Å; K1910-T1912 PolarHBondContact O-N 3.01Å | ||
| 1913 | L | 30.1 | Very low | 28.5 | Very low | 150.8 Ų | 150.8 | 135 Ų | 135 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | trans | -37.9 | 141.2 | 140.9 | -73.3 | 160.5 | 0 | 0 | 0 | 114.4 | V1911 P1915 | V1911-L1913 PolarHBondContact O-N 2.75Å; L1913-P1915 HydrophobicContact CD2-CB 4.45Å | ||
| 1914 | P | 30.3 | Very low | 28.3 | Very low | 105.8 Ų | 105.8 | 138.2 Ų | 138.2 | 69% | 0.687 | 75% | 0.745 | S | S | * | * | trans | -109.6 | 166.8 | 146 | 18.6 | -4.1 | 0 | 0 | 0 | 113.5 | G1916 F2139 | P1914-G1916 PolarHBondContact O-N 3.14Å; P1914-F2139 VanDerWaalsContact CA-CE1 3.44Å; P1914-F2139 HydrophobicContact CB-CE1 3.63Å; P1914-F2139 HydrophobicContact CB-CZ 3.83Å | ||
| 1915 | P | 29.5 | Very low | 28.3 | Very low | 126.2 Ų | 126.2 | 135.4 Ų | 135.4 | 82% | 0.819 | 74% | 0.743 | S | S | * | * | trans | -107.2 | 158.2 | -146.7 | 37.2 | -31.2 | 0 | 0 | 0 | 115.1 | L1913 F2139 | L1913-P1915 HydrophobicContact CD2-CB 4.45Å; P1915-F2139 HydrophobicContact CB-CD1 4.36Å; P1915-F2139 HydrophobicContact CB-CD2 3.89Å; P1915-F2139 HydrophobicContact CB-CE1 3.97Å; P1915-F2139 HydrophobicContact CB-CE2 3.4Å; P1915-F2139 VanDerWaalsContact CB-CE2 3.4Å; P1915-F2139 HydrophobicContact CB-CG 4.35Å; P1915-F2139 HydrophobicContact CB-CZ 3.46Å; P1915-F2139 VanDerWaalsContact CB-CZ 3.46Å | ||
| 1916 | G | 26.4 | Very low | 28.2 | Very low | 67.2 Ų | 67.2 | 132 Ų | 132 | 69% | 0.693 | 74% | 0.738 | S | S | * | * | trans | 156.3 | 50.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | P1914 A2138 F2139 | P1914-G1916 PolarHBondContact O-N 3.14Å; G1916-A2138 CarbonylContact O-C 3.12Å; G1916-A2138 WeakPolarHBondContact O-CA 3.42Å; G1916-F2139 PolarHBondContact O-N 3.27Å | ||
| 1917 | I | 26.2 | Very low | 28.2 | Very low | 150.4 Ų | 150.4 | 134.3 Ų | 134.3 | 77% | 0.771 | 74% | 0.742 | S | S | * | * | trans | -99.4 | 122 | 176.1 | -61.9 | 177.8 | 0 | 0 | 0 | 113.3 | V1919 A2138 | I1917-V1919 HydrophobicContact CG2-CG2 3.82Å; I1917-A2138 VanDerWaalsContact N-CB 3.35Å | ||
| 1918 | V | 26.9 | Very low | 28 | Very low | 129.8 Ų | 129.8 | 135.7 Ų | 135.7 | 79% | 0.787 | 75% | 0.745 | S | S | * | * | trans | -143.2 | 137.2 | 150.6 | 175.1 | 0 | 0 | 0 | 0 | 112.1 | Q2112 S2137 | V1918-Q2112 PolarHBondContact O-NE2 2.67Å; V1918-S2137 PolarHBondContact N-O 3.21Å | ||
| 1919 | V | 25.6 | Very low | 28 | Very low | 107.2 Ų | 107.2 | 134.6 Ų | 134.6 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | trans | -141 | 142.6 | 177.5 | 167.5 | 0 | 0 | 0 | 0 | 110.6 | I1917 E1921 | I1917-V1919 HydrophobicContact CG2-CG2 3.82Å; V1919-E1921 HydrophobicContact CG1-CG 4.31Å | ||
| 1920 | K | 27.2 | Very low | 27.8 | Very low | 196.6 Ų | 196.6 | 132.2 Ų | 132.2 | 86% | 0.855 | 75% | 0.75 | S | S | * | * | trans | -159.1 | 144 | 155.5 | -94.5 | 178.6 | -179.7 | -179.9 | 0 | 114.1 | ||||
| 1921 | E | 28 | Very low | 27.7 | Very low | 176.8 Ų | 176.8 | 132 Ų | 132 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | trans | -97.4 | 166 | -178.5 | -62.5 | 169.8 | 151.2 | 0 | 0 | 112.6 | V1919 D2114 | V1919-E1921 HydrophobicContact CG1-CG 4.31Å; E1921-D2114 WeakPolarHBondContact CA-OD2 3.49Å; E1921-D2114 PolarHBondContact N-OD2 2.95Å | ||
| 1922 | P | 28.6 | Very low | 27.5 | Very low | 108.2 Ų | 108.2 | 133.7 Ų | 133.7 | 70% | 0.703 | 75% | 0.754 | S | S | * | * | trans | -113.6 | 173.2 | -178 | 35.8 | -25.5 | 0 | 0 | 0 | 114.3 | V2115 | P1922-V2115 VanDerWaalsContact CD-CG2 3.47Å; P1922-V2115 HydrophobicContact CG-CB 4.49Å; P1922-V2115 HydrophobicContact CG-CG1 3.92Å; P1922-V2115 HydrophobicContact CG-CG2 4.21Å | ||
| 1923 | V | 29.9 | Very low | 27.4 | Very low | 128.2 Ų | 128.2 | 133.4 Ų | 133.4 | 78% | 0.777 | 75% | 0.752 | S | S | * | * | trans | -159.7 | 138.5 | 165.9 | 170.1 | 0 | 0 | 0 | 0 | 112.4 | T1925 T2116 T2117 Y2118 | V1923-T1925 PolarHBondContact O-N 3Å; V1923-T2116 WeakPolarHBondContact O-CB 3.37Å; V1923-T2117 VanDerWaalsContact C-N 3.34Å; V1923-Y2118 HydrophobicContact CB-CE2 4.3Å; V1923-Y2118 HydrophobicContact CG1-CD2 3.84Å; V1923-Y2118 HydrophobicContact CG1-CE2 3.58Å; V1923-Y2118 HydrophobicContact CG2-CD2 4.46Å; V1923-Y2118 HydrophobicContact CG2-CE2 3.91Å | ||
| 1924 | E | 26.1 | Very low | 27.3 | Very low | 155 Ų | 155 | 132.6 Ų | 132.6 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | trans | -66.9 | 144.5 | 178.6 | -60 | -169.8 | 117.1 | 0 | 0 | 115.1 | S1926 T2116 T2117 Y2118 | E1924-S1926 PolarHBondContact O-N 2.79Å; E1924-T2116 WeakPolarHBondContact O-CB 3.21Å; E1924-T2117 CarbonylContact C-O 3.23Å; E1924-T2117 WeakPolarHBondContact CA-O 3.27Å; E1924-Y2118 HydrophobicContact CG-CD2 4.46Å; E1924-Y2118 HydrophobicContact CG-CG 4.31Å; E1924-Y2118 WeakPolarHBondContact OE1-CD1 3.2Å | ||
| 1925 | T | 28.3 | Very low | 27.1 | Very low | 123 Ų | 123 | 135.1 Ų | 135.1 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | -165.7 | 140.1 | 115.8 | 25.5 | 0 | 0 | 0 | 0 | 113.3 | V1923 K1927 T2117 Y2118 | V1923-T1925 PolarHBondContact O-N 3Å; T1925-K1927 PolarHBondContact O-N 3.41Å; T1925-T2117 VanDerWaalsContact CA-O 3.26Å; T1925-T2117 WeakPolarHBondContact CA-O 3.44Å; T1925-T2117 PolarHBondContact N-O 2.86Å; T1925-Y2118 CarbonylContact C-O 3.58Å | |||
| 1926 | S | 27.3 | Very low | 27 | Very low | 91.4 Ų | 91.4 | 134.2 Ų | 134.2 | 64% | 0.639 | 75% | 0.753 | S | S | * | * | trans | 21.9 | 121.7 | 157.5 | 78.3 | 0 | 0 | 0 | 0 | 116.8 | E1924 Q1928 L2100 A2101 R2102 Y2118 | E1924-S1926 PolarHBondContact O-N 2.79Å; S1926-Q1928 PolarHBondContact O-N 3.39Å; S1926-L2100 CarbonylContact C-O 3.21Å; S1926-L2100 WeakPolarHBondContact CA-O 3.27Å; S1926-A2101 CarbonylContact C-O 3.19Å; S1926-A2101 CarbonylContact O-C 3.51Å; S1926-R2102 CarbonylContact C-O 3.44Å; S1926-R2102 CarbonylContact O-C 3.56Å; S1926-R2102 WeakPolarHBondContact O-CA 3.46Å; S1926-R2102 PolarHBondContact O-N 3.19Å; S1926-Y2118 PolarHBondContact N-O 3.23Å | ||
| 1927 | K | 28.3 | Very low | 27.1 | Very low | 188.4 Ų | 188.4 | 132.8 Ų | 132.8 | 82% | 0.819 | 74% | 0.738 | S | S | * | * | trans | 54.2 | 120 | 140.4 | -77.6 | 176 | -179.8 | 176.8 | 0 | 119.7 | T1925 L2100 R2102 P2103 | T1925-K1927 PolarHBondContact O-N 3.41Å; K1927-L2100 PolarHBondContact N-O 2.61Å; K1927-R2102 VanDerWaalsContact C-CA 3.46Å; K1927-R2102 CarbonylContact C-O 3.48Å; K1927-R2102 VanDerWaalsContact CA-N 3.35Å; K1927-R2102 WeakPolarHBondContact CA-O 3.49Å; K1927-R2102 WeakPolarHBondContact CB-O 3.26Å; K1927-R2102 VanDerWaalsContact N-N 3.2Å; K1927-R2102 PolarHBondContact N-O 3.21Å; K1927-R2102 CarbonylContact O-C 3.46Å; K1927-R2102 VanDerWaalsContact O-CA 3.28Å; K1927-R2102 WeakPolarHBondContact O-CA 3.2Å; K1927-R2102 WeakPolarHBondContact O-CB 3.25Å; K1927-R2102 PolarHBondContact O-N 2.85Å; K1927-P2103 WeakPolarHBondContact O-CD 3.07Å | ||
| 1928 | Q | 26 | Very low | 27.1 | Very low | 156.4 Ų | 156.4 | 130 Ų | 130 | 73% | 0.731 | 73% | 0.728 | S | S | * | * | trans | -99.5 | 157.2 | 160.5 | -71.8 | 176.9 | -60.1 | 0 | 0 | 111.9 | S1926 A1930 R2102 R2120 N2121 | S1926-Q1928 PolarHBondContact O-N 3.39Å; Q1928-A1930 PolarHBondContact O-N 2.02Å; Q1928-R2102 WeakPolarHBondContact O-CB 3.31Å; Q1928-R2102 VanDerWaalsContact O-CD 3.26Å; Q1928-R2102 WeakPolarHBondContact O-CD 3.41Å; Q1928-R2102 WeakPolarHBondContact O-CG 3.27Å; Q1928-R2120 PolarHBondContact OE1-O 3.04Å; Q1928-N2121 PolarHBondContact OE1-O 3.49Å | ||
| 1929 | P | 27.8 | Very low | 27.1 | Very low | 115.2 Ų | 115.2 | 127.6 Ų | 127.6 | 75% | 0.748 | 71% | 0.71 | S | S | * | * | trans | -102 | 161.3 | 166.1 | 36.1 | -27.7 | 0 | 0 | 0 | 113.8 | I1931 R2102 | P1929-I1931 PolarHBondContact O-N 3.47Å; P1929-R2102 PolarHBondContact O-NH1 3.29Å; P1929-R2102 PolarHBondContact O-NH2 3.47Å | ||
| 1930 | A | 24.5 | Very low | 27.2 | Very low | 94.2 Ų | 94.2 | 130.3 Ų | 130.3 | 78% | 0.779 | 71% | 0.71 | S | S | * | * | trans | -59.8 | 142.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q1928 E1932 | Q1928-A1930 PolarHBondContact O-N 2.02Å; A1930-E1932 PolarHBondContact O-N 2.95Å; A1930-E1932 VanDerWaalsContact O-N 3.1Å | ||
| 1931 | I | 26.5 | Very low | 27.1 | Very low | 151.8 Ų | 151.8 | 124.7 Ų | 124.7 | 78% | 0.778 | 69% | 0.694 | S | S | * | * | trans | -123.2 | 130.4 | 154.2 | -69.8 | 174.9 | 0 | 0 | 0 | 108 | P1929 T1933 | P1929-I1931 PolarHBondContact O-N 3.47Å; I1931-T1933 PolarHBondContact O-N 3.35Å | ||
| 1932 | E | 25.1 | Very low | 27.1 | Very low | 165.6 Ų | 165.6 | 120.8 Ų | 120.8 | 77% | 0.774 | 68% | 0.682 | S | S | * | * | trans | -58.1 | 131.6 | 173.3 | -66 | 165.1 | 154.5 | 0 | 0 | 113.5 | A1930 T1934 | A1930-E1932 PolarHBondContact O-N 2.95Å; A1930-E1932 VanDerWaalsContact O-N 3.1Å; E1932-T1934 PolarHBondContact O-N 3.06Å | ||
| 1933 | T | 27 | Very low | 27 | Very low | 112.4 Ų | 112.4 | 120.2 Ų | 120.2 | 69% | 0.69 | 68% | 0.678 | S | S | * | * | trans | -86.9 | 124.6 | 160.7 | 36 | 0 | 0 | 0 | 0 | 113.5 | I1931 E1935 N2124 | I1931-T1933 PolarHBondContact O-N 3.35Å; T1933-E1935 VanDerWaalsContact C-N 3.35Å; T1933-E1935 PolarHBondContact O-N 3.46Å; T1933-N2124 WeakPolarHBondContact CB-OD1 3.36Å; T1933-N2124 WeakPolarHBondContact CG2-ND2 3.44Å; T1933-N2124 VanDerWaalsContact CG2-OD1 3.24Å; T1933-N2124 WeakPolarHBondContact CG2-OD1 3.34Å; T1933-N2124 VanDerWaalsContact OG1-CG 3.25Å; T1933-N2124 PolarHBondContact OG1-ND2 2.81Å; T1933-N2124 PolarHBondContact OG1-OD1 3.28Å | ||
| 1934 | T | 26.9 | Very low | 26.9 | Very low | 133.8 Ų | 133.8 | 116.1 Ų | 116.1 | 82% | 0.821 | 65% | 0.651 | S | S | * | * | trans | -79.6 | 117.7 | 159.8 | 42.3 | 0 | 0 | 0 | 0 | 113.4 | E1932 S1936 | E1932-T1934 PolarHBondContact O-N 3.06Å; T1934-S1936 PolarHBondContact O-N 3.34Å | ||
| 1935 | E | 27.2 | Very low | 27 | Very low | 160.2 Ų | 160.2 | 111.9 Ų | 111.9 | 75% | 0.749 | 64% | 0.637 | S | S | * | * | trans | -64.8 | 115.4 | 169.4 | -67.8 | -165.3 | 143.8 | 0 | 0 | 113.3 | K1594 T1933 G1937 V1938 | K1594-E1935 IonicContact NZ-OE1 3.27Å; K1594-E1935 PolarHBondContact NZ-OE1 3.39Å; K1594-E1935 IonicContact NZ-OE2 2.71Å; K1594-E1935 PolarHBondContact NZ-OE2 2.72Å; T1933-E1935 VanDerWaalsContact C-N 3.35Å; T1933-E1935 PolarHBondContact O-N 3.46Å; E1935-G1937 PolarHBondContact O-N 2.91Å; E1935-V1938 HydrophobicContact CB-CG2 4.15Å; E1935-V1938 PolarHBondContact O-N 3.47Å | ||
| 1936 | S | 27.3 | Very low | 27.1 | Very low | 107 Ų | 107 | 111 Ų | 111 | 75% | 0.748 | 62% | 0.623 | S | S | * | * | trans | -95.4 | 96.5 | 168.3 | 49.9 | 0 | 0 | 0 | 0 | 111.2 | R1618 T1934 V1938 N2124 | R1618-S1936 PolarHBondContact NH1-O 2.69Å; R1618-S1936 PolarHBondContact NH2-O 3.41Å; T1934-S1936 PolarHBondContact O-N 3.34Å; S1936-V1938 PolarHBondContact O-N 3.1Å; S1936-N2124 PolarHBondContact O-ND2 3.42Å | ||
| 1937 | G | 28 | Very low | 27.1 | Very low | 37.2 Ų | 37.2 | 110.1 Ų | 110.1 | 38% | 0.384 | 61% | 0.61 | S | S | . | * | trans | -114.5 | 38.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | E1935 I1939 | E1935-G1937 PolarHBondContact O-N 2.91Å; G1937-I1939 PolarHBondContact O-N 3.18Å | ||
| 1938 | V | 25.8 | Very low | 27.2 | Very low | 90.8 Ų | 90.8 | 105.5 Ų | 105.5 | 55% | 0.55 | 60% | 0.602 | S | S | * | * | trans | -81.4 | 112.1 | 173.5 | -179.9 | 0 | 0 | 0 | 0 | 110.1 | E1935 S1936 Y1940 N2124 | E1935-V1938 HydrophobicContact CB-CG2 4.15Å; E1935-V1938 PolarHBondContact O-N 3.47Å; S1936-V1938 PolarHBondContact O-N 3.1Å; V1938-Y1940 HydrophobicContact CB-CD2 4.16Å; V1938-Y1940 HydrophobicContact CB-CE2 4Å; V1938-Y1940 HydrophobicContact CG1-CD1 4.44Å; V1938-Y1940 HydrophobicContact CG1-CD2 3.95Å; V1938-Y1940 HydrophobicContact CG1-CE1 4.28Å; V1938-Y1940 HydrophobicContact CG1-CE2 3.95Å; V1938-Y1940 HydrophobicContact CG1-CG 4.24Å; V1938-Y1940 WeakPolarHBondContact O-CD2 3.43Å; V1938-Y1940 PolarHBondContact O-N 3.25Å; V1938-N2124 WeakPolarHBondContact CG2-ND2 3.3Å; V1938-N2124 WeakPolarHBondContact CG2-OD1 3.48Å | ||
| 1939 | I | 28 | Very low | 27.3 | Very low | 79.8 Ų | 79.8 | 105.6 Ų | 105.6 | 41% | 0.409 | 60% | 0.6 | S | S | . | * | trans | -94.6 | 101.9 | 168.2 | -57.9 | 171.8 | 0 | 0 | 0 | 108.2 | A1641 P1736 S1758 K1760 G1937 P1941 W2125 | A1641-I1939 HydrophobicContact CB-CD1 4.2Å; P1736-I1939 HydrophobicContact CB-CD1 3.71Å; P1736-I1939 VanDerWaalsContact CB-CD1 3.43Å; P1736-I1939 HydrophobicContact CB-CG1 4.48Å; P1736-I1939 HydrophobicContact CG-CD1 3.66Å; P1736-I1939 VanDerWaalsContact CG-CD1 3.5Å; P1736-I1939 HydrophobicContact CG-CG1 4.38Å; S1758-I1939 VanDerWaalsContact OG-CD1 3.27Å; S1758-I1939 WeakPolarHBondContact OG-CD1 3.37Å; K1760-I1939 HydrophobicContact CB-CD1 3.75Å; K1760-I1939 HydrophobicContact CD-CD1 3.54Å; K1760-I1939 HydrophobicContact CD-CG1 4.04Å; K1760-I1939 HydrophobicContact CG-CD1 4.03Å; G1937-I1939 PolarHBondContact O-N 3.18Å; I1939-P1941 VanDerWaalsContact O-CD 3.27Å; I1939-P1941 WeakPolarHBondContact O-CD 3.31Å; I1939-W2125 HydrophobicContact CB-CZ2 4.3Å; I1939-W2125 HydrophobicContact CD1-CH2 3.96Å; I1939-W2125 HydrophobicContact CD1-CZ2 4.09Å; I1939-W2125 HydrophobicContact CG1-CZ2 4.43Å | ||
| 1940 | Y | 26.5 | Very low | 27.3 | Very low | 164 Ų | 164 | 103.5 Ų | 103.5 | 64% | 0.643 | 59% | 0.592 | S | S | * | * | trans | -72.4 | 130.7 | 169.3 | -70.5 | -82.5 | 0 | 0 | 0 | 109.9 | V1938 V1942 | V1938-Y1940 HydrophobicContact CB-CD2 4.16Å; V1938-Y1940 HydrophobicContact CB-CE2 4Å; V1938-Y1940 HydrophobicContact CG1-CD1 4.44Å; V1938-Y1940 HydrophobicContact CG1-CD2 3.95Å; V1938-Y1940 HydrophobicContact CG1-CE1 4.28Å; V1938-Y1940 HydrophobicContact CG1-CE2 3.95Å; V1938-Y1940 HydrophobicContact CG1-CG 4.24Å; V1938-Y1940 WeakPolarHBondContact O-CD2 3.43Å; V1938-Y1940 PolarHBondContact O-N 3.25Å; Y1940-V1942 PolarHBondContact O-N 3.17Å; Y1940-V1942 VanDerWaalsContact O-N 3.16Å | ||
| 1941 | P | 26.6 | Very low | 27.4 | Very low | 80 Ų | 80 | 103.2 Ų | 103.2 | 52% | 0.519 | 58% | 0.583 | S | S | . | * | trans | -68.7 | 110.5 | 167.7 | 28.6 | -32.1 | 0 | 0 | 0 | 108.8 | M1734 I1939 P1943 | M1734-P1941 HydrophobicContact CE-CB 4.11Å; I1939-P1941 VanDerWaalsContact O-CD 3.27Å; I1939-P1941 WeakPolarHBondContact O-CD 3.31Å; P1941-P1943 VanDerWaalsContact O-CD 3.3Å; P1941-P1943 WeakPolarHBondContact O-CD 3.38Å; P1941-P1943 VanDerWaalsContact O-N 3.12Å | ||
| 1942 | V | 27.6 | Very low | 27.4 | Very low | 95 Ų | 95 | 100.2 Ų | 100.2 | 58% | 0.576 | 57% | 0.573 | S | S | * | * | trans | -65.4 | 114.3 | 175.1 | -179.6 | 0 | 0 | 0 | 0 | 108.7 | L1804 Y1940 I1944 | L1804-V1942 HydrophobicContact CD1-CG1 4.45Å; Y1940-V1942 PolarHBondContact O-N 3.17Å; Y1940-V1942 VanDerWaalsContact O-N 3.16Å; V1942-I1944 VanDerWaalsContact C-N 3.26Å; V1942-I1944 WeakPolarHBondContact O-CG1 3.45Å; V1942-I1944 PolarHBondContact O-N 3.14Å | ||
| 1943 | P | 25.4 | Very low | 27.6 | Very low | 95 Ų | 95 | 99.5 Ų | 99.5 | 62% | 0.617 | 57% | 0.574 | S | S | * | * | trans | -74.4 | 108 | -176.5 | -16.6 | 31.2 | 0 | 0 | 0 | 111.2 | K1273 P1941 P1945 L2582 | K1273-P1943 WeakPolarHBondContact CE-O 3.34Å; K1273-P1943 PolarHBondContact NZ-O 2.89Å; P1941-P1943 VanDerWaalsContact O-CD 3.3Å; P1941-P1943 WeakPolarHBondContact O-CD 3.38Å; P1941-P1943 VanDerWaalsContact O-N 3.12Å; P1943-P1945 VanDerWaalsContact O-CD 3.3Å; P1943-P1945 WeakPolarHBondContact O-CD 3.43Å; P1943-L2582 HydrophobicContact CB-CD1 3.93Å; P1943-L2582 HydrophobicContact CG-CD1 4.48Å | ||
| 1944 | I | 29.3 | Very low | 27.6 | Very low | 41.4 Ų | 41.4 | 98.8 Ų | 98.8 | 21% | 0.212 | 57% | 0.569 | C | S | . | * | trans | -65.7 | 124.6 | 168.7 | -53.3 | 173.8 | 0 | 0 | 0 | 109.8 | R1272 K1273 Q1756 V1779 V1780 V1942 F1946 L1947 | R1272-I1944 HydrophobicContact CB-CD1 3.54Å; K1273-I1944 HydrophobicContact CB-CG2 3.71Å; K1273-I1944 HydrophobicContact CD-CB 3.85Å; K1273-I1944 HydrophobicContact CD-CG2 3.78Å; K1273-I1944 WeakPolarHBondContact CE-O 3.16Å; K1273-I1944 HydrophobicContact CG-CB 3.99Å; K1273-I1944 HydrophobicContact CG-CG2 3.65Å; K1273-I1944 PolarHBondContact NZ-O 2.84Å; Q1756-I1944 HydrophobicContact CB-CD1 4.09Å; Q1756-I1944 HydrophobicContact CG-CD1 4.45Å; V1779-I1944 HydrophobicContact CG1-CG2 4.2Å; V1780-I1944 HydrophobicContact CB-CD1 4.09Å; V1780-I1944 HydrophobicContact CG2-CD1 3.52Å; V1780-I1944 HydrophobicContact CG2-CG1 3.81Å; V1942-I1944 VanDerWaalsContact C-N 3.26Å; V1942-I1944 WeakPolarHBondContact O-CG1 3.45Å; V1942-I1944 PolarHBondContact O-N 3.14Å; I1944-F1946 HydrophobicContact CG2-CB 4.24Å; I1944-F1946 HydrophobicContact CG2-CD2 4.19Å; I1944-F1946 PolarHBondContact O-N 2.97Å; I1944-L1947 HydrophobicContact CB-CD1 4.23Å; I1944-L1947 HydrophobicContact CB-CG 4.22Å; I1944-L1947 PolarHBondContact O-N 3.39Å | ||
| 1945 | P | 27.3 | Very low | 27.7 | Very low | 67.2 Ų | 67.2 | 98.9 Ų | 98.9 | 44% | 0.436 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.8 | 0.3 | -167.3 | 8.5 | -0.5 | 0 | 0 | 0 | 113.3 | G1211 T1217 K1273 P1943 A2085 N2088 A2089 E2535 L2559 | G1211-P1945 VanDerWaalsContact O-CD 3.22Å; G1211-P1945 WeakPolarHBondContact O-CD 2.98Å; G1211-P1945 WeakPolarHBondContact O-CG 3.29Å; T1217-P1945 HydrophobicContact CG2-CB 3.68Å; T1217-P1945 HydrophobicContact CG2-CG 3.65Å; K1273-P1945 HydrophobicContact CB-CG 4.07Å; K1273-P1945 HydrophobicContact CD-CG 3.98Å; P1943-P1945 VanDerWaalsContact O-CD 3.3Å; P1943-P1945 WeakPolarHBondContact O-CD 3.43Å; P1945-A2085 CarbonylContact C-O 3.31Å; P1945-N2088 HydrophobicContact CB-CB 3.73Å; P1945-N2088 HydrophobicContact CG-CB 3.9Å; P1945-A2089 WeakPolarHBondContact O-CA 3.34Å; P1945-A2089 WeakPolarHBondContact O-CB 3.4Å; P1945-E2535 WeakPolarHBondContact CB-OE2 3.24Å; P1945-L2559 HydrophobicContact CB-CD1 3.59Å; P1945-L2559 HydrophobicContact CG-CD1 3.64Å |
| 1946 | F | 30.5 | Very low | 27.7 | Very low | 104.4 Ų | 104.4 | 93.7 Ų | 93.7 | 46% | 0.458 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.6 | -4.2 | -170.4 | -78.2 | -87.6 | 0 | 0 | 0 | 113.6 | K1212 T1213 P1214 T1217 L1238 D1271 F1803 I1944 S1948 A2089 | K1212-F1946 WeakPolarHBondContact O-CB 3.24Å; T1213-F1946 HydrophobicContact CG2-CB 3.37Å; T1213-F1946 HydrophobicContact CG2-CD1 3.44Å; T1213-F1946 VanDerWaalsContact CG2-CD1 3.44Å; T1213-F1946 HydrophobicContact CG2-CD2 3.9Å; T1213-F1946 HydrophobicContact CG2-CE1 4.22Å; T1213-F1946 HydrophobicContact CG2-CG 3.26Å; P1214-F1946 WeakPolarHBondContact CD-O 3.22Å; T1217-F1946 HydrophobicContact CG2-CE1 4.32Å; T1217-F1946 HydrophobicContact CG2-CE2 4.36Å; T1217-F1946 HydrophobicContact CG2-CZ 3.75Å; L1238-F1946 WeakPolarHBondContact CD2-O 3.26Å; D1271-F1946 HydrophobicContact CB-CE2 4.45Å; D1271-F1946 HydrophobicContact CB-CZ 4.23Å; D1271-F1946 VanDerWaalsContact OD2-CE2 3.31Å; D1271-F1946 WeakPolarHBondContact OD2-CE2 3.18Å; F1803-F1946 HydrophobicContact CE2-CE2 4.44Å; F1803-F1946 HydrophobicContact CZ-CE2 4.45Å; I1944-F1946 HydrophobicContact CG2-CB 4.24Å; I1944-F1946 HydrophobicContact CG2-CD2 4.19Å; I1944-F1946 PolarHBondContact O-N 2.97Å; F1946-S1948 VanDerWaalsContact C-N 3.26Å; F1946-S1948 PolarHBondContact O-N 3.03Å; F1946-S1948 VanDerWaalsContact O-N 3.1Å; F1946-A2089 HydrophobicContact CD1-CB 4Å; F1946-A2089 HydrophobicContact CD2-CB 4.2Å; F1946-A2089 HydrophobicContact CE1-CB 3.69Å; F1946-A2089 HydrophobicContact CE2-CB 3.89Å; F1946-A2089 WeakPolarHBondContact CE2-O 3.33Å; F1946-A2089 HydrophobicContact CG-CB 4.26Å; F1946-A2089 HydrophobicContact CZ-CB 3.64Å; F1946-A2089 WeakPolarHBondContact CZ-O 3.18Å |
| 1947 | L | 28.3 | Very low | 27.7 | Very low | 72.2 Ų | 72.2 | 94.1 Ų | 94.1 | 38% | 0.378 | 53% | 0.53 | S | S | . | . | trans | -89.9 | 86.7 | 172 | -82.3 | 166.9 | 0 | 0 | 0 | 112 | T1213 P1214 F1216 L1238 Q1242 K1245 V1731 Q1755 I1944 K1949 A1950 | T1213-L1947 VanDerWaalsContact CB-O 3.31Å; T1213-L1947 WeakPolarHBondContact CB-O 3.16Å; T1213-L1947 WeakPolarHBondContact CG2-O 3.22Å; T1213-L1947 CarbonylContact O-C 3.2Å; P1214-L1947 WeakPolarHBondContact O-CA 3.47Å; P1214-L1947 WeakPolarHBondContact O-CD2 3.44Å; P1214-L1947 VanDerWaalsContact O-CG 3.29Å; P1214-L1947 WeakPolarHBondContact O-CG 3.26Å; F1216-L1947 HydrophobicContact CB-CD2 4.11Å; F1216-L1947 HydrophobicContact CD2-CD1 3.71Å; F1216-L1947 HydrophobicContact CD2-CD2 3.69Å; F1216-L1947 HydrophobicContact CD2-CG 4.14Å; F1216-L1947 HydrophobicContact CE2-CD1 3.74Å; F1216-L1947 HydrophobicContact CE2-CD2 4.42Å; F1216-L1947 HydrophobicContact CE2-CG 4.39Å; F1216-L1947 HydrophobicContact CG-CD2 4Å; L1238-L1947 HydrophobicContact CB-CD1 3.59Å; L1238-L1947 HydrophobicContact CD2-CD1 4.26Å; L1238-L1947 HydrophobicContact CG-CD1 4.46Å; L1238-L1947 WeakPolarHBondContact O-CD1 3.42Å; Q1242-L1947 HydrophobicContact CG-CB 3.82Å; Q1242-L1947 HydrophobicContact CG-CD1 3.8Å; Q1242-L1947 HydrophobicContact CG-CD2 3.75Å; Q1242-L1947 HydrophobicContact CG-CG 4Å; K1245-L1947 PolarHBondContact NZ-O 2.91Å; V1731-L1947 HydrophobicContact CG1-CD2 3.9Å; Q1755-L1947 VanDerWaalsContact OE1-CD2 3.3Å; I1944-L1947 HydrophobicContact CB-CD1 4.23Å; I1944-L1947 HydrophobicContact CB-CG 4.22Å; I1944-L1947 PolarHBondContact O-N 3.39Å; L1947-K1949 CarbonylContact O-C 3.03Å; L1947-K1949 PolarHBondContact O-N 3.13Å; L1947-A1950 PolarHBondContact O-N 3.04Å | ||
| 1948 | S | 29.1 | Very low | 27.6 | Very low | 92 Ų | 92 | 95.7 Ų | 95.7 | 64% | 0.643 | 54% | 0.54 | S | S | * | . | trans | -53.1 | 87.9 | 171.7 | 67 | 0 | 0 | 0 | 0 | 113 | T1213 P1214 D1215 K1245 F1946 A1950 | T1213-S1948 WeakPolarHBondContact CB-O 3.4Å; T1213-S1948 CarbonylContact O-C 3.5Å; T1213-S1948 WeakPolarHBondContact O-CA 3.13Å; T1213-S1948 PolarHBondContact O-N 3.3Å; T1213-S1948 PolarHBondContact OG1-O 2.8Å; P1214-S1948 PolarHBondContact O-N 2.97Å; D1215-S1948 WeakPolarHBondContact OD2-CA 3.44Å; K1245-S1948 PolarHBondContact NZ-OG 3.24Å; F1946-S1948 VanDerWaalsContact C-N 3.26Å; F1946-S1948 PolarHBondContact O-N 3.03Å; F1946-S1948 VanDerWaalsContact O-N 3.1Å; S1948-A1950 PolarHBondContact O-N 3.26Å | ||
| 1949 | K | 28.7 | Very low | 27.7 | Very low | 158.6 Ų | 158.6 | 95.7 Ų | 95.7 | 69% | 0.69 | 54% | 0.54 | S | S | * | . | trans | -107.2 | 94.1 | 164.5 | -103.2 | -178.3 | -179.4 | -178.5 | 0 | 112.3 | D1207 T1213 Q1218 L1947 P1951 | D1207-K1949 WeakPolarHBondContact OD2-CB 3.47Å; T1213-K1949 PolarHBondContact O-N 2.81Å; Q1218-K1949 PolarHBondContact NE2-O 2.99Å; L1947-K1949 CarbonylContact O-C 3.03Å; L1947-K1949 PolarHBondContact O-N 3.13Å; K1949-P1951 VanDerWaalsContact O-CD 3.24Å; K1949-P1951 WeakPolarHBondContact O-CD 3.21Å | ||
| 1950 | A | 28.6 | Very low | 27.7 | Very low | 70.6 Ų | 70.6 | 97 Ų | 97 | 58% | 0.583 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 139.9 | 154.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | D1215 L1947 S1948 | D1215-A1950 HydrophobicContact CB-CB 3.79Å; D1215-A1950 VanDerWaalsContact CG-CB 3.47Å; D1215-A1950 WeakPolarHBondContact OD2-CB 3.17Å; L1947-A1950 PolarHBondContact O-N 3.04Å; S1948-A1950 PolarHBondContact O-N 3.26Å |
| 1951 | P | 26.3 | Very low | 27.7 | Very low | 89.2 Ų | 89.2 | 94.5 Ų | 94.5 | 58% | 0.579 | 55% | 0.55 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 142.5 | 173.7 | -12.5 | 21 | 0 | 0 | 0 | 109.5 | K1949 L1953 E1955 | K1949-P1951 VanDerWaalsContact O-CD 3.24Å; K1949-P1951 WeakPolarHBondContact O-CD 3.21Å; P1951-L1953 PolarHBondContact O-N 3.14Å; P1951-L1953 VanDerWaalsContact O-N 3.09Å; P1951-E1955 HydrophobicContact CB-CB 4.05Å |
| 1952 | P | 25.6 | Very low | 27.8 | Very low | 86.8 Ų | 86.8 | 96 Ų | 96 | 56% | 0.564 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 135.3 | 174.4 | 26.3 | -33.4 | 0 | 0 | 0 | 109.1 | V1954 E1955 | P1952-V1954 VanDerWaalsContact C-N 3.34Å; P1952-V1954 HydrophobicContact CB-CB 4.5Å; P1952-V1954 HydrophobicContact CB-CG2 4.24Å; P1952-V1954 HydrophobicContact CG-CG2 4.1Å; P1952-V1954 PolarHBondContact O-N 3.19Å; P1952-E1955 VanDerWaalsContact CD-CD 3.47Å; P1952-E1955 WeakPolarHBondContact CD-OE2 3.48Å; P1952-E1955 HydrophobicContact CG-CB 4.15Å; P1952-E1955 VanDerWaalsContact CG-CD 3.48Å; P1952-E1955 HydrophobicContact CG-CG 3.89Å; P1952-E1955 VanDerWaalsContact CG-OE1 3.27Å; P1952-E1955 WeakPolarHBondContact CG-OE1 3.33Å; P1952-E1955 PolarHBondContact O-N 3.19Å; P1952-E1955 VanDerWaalsContact O-N 3.07Å |
| 1953 | L | 28.6 | Very low | 27.8 | Very low | 152.8 Ų | 152.8 | 95.7 Ų | 95.7 | 80% | 0.8 | 56% | 0.56 | S | S | * | * | trans | -75.6 | 63.4 | 171.6 | -84.7 | 156.2 | 0 | 0 | 0 | 110.6 | P1951 E1955 Y1957 | P1951-L1953 PolarHBondContact O-N 3.14Å; P1951-L1953 VanDerWaalsContact O-N 3.09Å; L1953-E1955 PolarHBondContact O-N 2.98Å; L1953-Y1957 WeakPolarHBondContact O-CD2 3.45Å | ||
| 1954 | V | 28.7 | Very low | 28 | Very low | 96.2 Ų | 96.2 | 98 Ų | 98 | 58% | 0.583 | 57% | 0.565 | S | S | * | * | trans | -95.9 | 65.6 | 171.3 | -178 | 0 | 0 | 0 | 0 | 108 | P1952 A1956 Y1957 P2129 V2130 | P1952-V1954 VanDerWaalsContact C-N 3.34Å; P1952-V1954 HydrophobicContact CB-CB 4.5Å; P1952-V1954 HydrophobicContact CB-CG2 4.24Å; P1952-V1954 HydrophobicContact CG-CG2 4.1Å; P1952-V1954 PolarHBondContact O-N 3.19Å; V1954-A1956 VanDerWaalsContact C-N 3.32Å; V1954-A1956 PolarHBondContact O-N 3.07Å; V1954-Y1957 CarbonylContact O-C 3.39Å; V1954-Y1957 WeakPolarHBondContact O-CA 3.23Å; V1954-Y1957 PolarHBondContact O-N 3.12Å; V1954-Y1957 VanDerWaalsContact O-O 3.14Å; V1954-P2129 HydrophobicContact CB-CB 4.03Å; V1954-P2129 HydrophobicContact CG1-CB 3.36Å; V1954-V2130 VanDerWaalsContact CG1-O 3.27Å; V1954-V2130 WeakPolarHBondContact CG1-O 3.34Å | ||
| 1955 | E | 28 | Very low | 28 | Very low | 136 Ų | 136 | 101.1 Ų | 101.1 | 64% | 0.636 | 59% | 0.588 | S | S | * | * | trans | -79.4 | 80.2 | 178.4 | -81.6 | 172.8 | 163.5 | 0 | 0 | 112.2 | P1951 P1952 L1953 Y1957 A1958 P2129 C2131 | P1951-E1955 HydrophobicContact CB-CB 4.05Å; P1952-E1955 VanDerWaalsContact CD-CD 3.47Å; P1952-E1955 WeakPolarHBondContact CD-OE2 3.48Å; P1952-E1955 HydrophobicContact CG-CB 4.15Å; P1952-E1955 VanDerWaalsContact CG-CD 3.48Å; P1952-E1955 HydrophobicContact CG-CG 3.89Å; P1952-E1955 VanDerWaalsContact CG-OE1 3.27Å; P1952-E1955 WeakPolarHBondContact CG-OE1 3.33Å; P1952-E1955 PolarHBondContact O-N 3.19Å; P1952-E1955 VanDerWaalsContact O-N 3.07Å; L1953-E1955 PolarHBondContact O-N 2.98Å; E1955-Y1957 VanDerWaalsContact C-N 3.27Å; E1955-Y1957 HydrophobicContact CB-CE2 4.19Å; E1955-Y1957 WeakPolarHBondContact O-CD2 3.48Å; E1955-Y1957 PolarHBondContact O-N 3.05Å; E1955-Y1957 VanDerWaalsContact O-N 3.12Å; E1955-Y1957 PolarHBondContact OE2-OH 2.99Å; E1955-Y1957 VanDerWaalsContact OE2-OH 3.07Å; E1955-A1958 VanDerWaalsContact O-CB 3.28Å; E1955-A1958 WeakPolarHBondContact O-CB 3.44Å; E1955-A1958 PolarHBondContact O-N 3.36Å; E1955-P2129 WeakPolarHBondContact CG-O 3.48Å; E1955-C2131 HydrophobicContact CG-CB 4.37Å; E1955-C2131 WeakPolarHBondContact OE1-CB 3.25Å; E1955-C2131 WeakPolarHBondContact OE2-CA 3.19Å; E1955-C2131 WeakPolarHBondContact OE2-CB 3.44Å; E1955-C2131 PolarHBondContact OE2-SG 3.2Å | ||
| 1956 | A | 26.6 | Very low | 27.9 | Very low | 50.6 Ų | 50.6 | 106.4 Ų | 106.4 | 42% | 0.418 | 61% | 0.605 | S | S | . | * | trans | -89 | 44 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q1588 L1612 L1637 R1660 V1954 A1958 D2128 P2129 | Q1588-A1956 VanDerWaalsContact CD-O 3.25Å; Q1588-A1956 PolarHBondContact OE1-O 3.16Å; L1612-A1956 HydrophobicContact CD1-CB 3.52Å; L1637-A1956 HydrophobicContact CD1-CB 3.3Å; R1660-A1956 VanDerWaalsContact NH2-CB 3.28Å; V1954-A1956 VanDerWaalsContact C-N 3.32Å; V1954-A1956 PolarHBondContact O-N 3.07Å; A1956-A1958 PolarHBondContact O-N 2.76Å; A1956-D2128 WeakPolarHBondContact O-CB 3.22Å; A1956-P2129 VanDerWaalsContact N-CD 3.28Å; A1956-P2129 WeakPolarHBondContact O-CD 3.25Å | ||
| 1957 | Y | 27.8 | Very low | 27.9 | Very low | 115.4 Ų | 115.4 | 108 Ų | 108 | 45% | 0.453 | 61% | 0.614 | S | S | . | * | trans | -105.7 | 99.8 | 177 | -72.3 | -77.2 | 0 | 0 | 0 | 112.2 | H1539 T1563 D1564 H1615 S1665 D1666 L1953 V1954 E1955 V1959 D2128 | H1539-Y1957 AromaticContact CE1-CZ 3.95Å; T1563-Y1957 VanDerWaalsContact CB-CD1 3.43Å; T1563-Y1957 HydrophobicContact CG2-CD1 3.73Å; T1563-Y1957 HydrophobicContact CG2-CE1 4.4Å; T1563-Y1957 WeakPolarHBondContact OG1-CD1 3.45Å; T1563-Y1957 WeakPolarHBondContact OG1-CE1 3.46Å; D1564-Y1957 VanDerWaalsContact CG-OH 3.28Å; D1564-Y1957 WeakPolarHBondContact OD1-CE1 3.37Å; D1564-Y1957 PolarHBondContact OD1-OH 3.05Å; D1564-Y1957 WeakPolarHBondContact OD2-CE1 3.3Å; D1564-Y1957 PolarHBondContact OD2-OH 3.22Å; H1615-Y1957 PolarHBondContact CE1-O 2.58Å; H1615-Y1957 PolarHBondContact ND1-O 3.16Å; S1665-Y1957 PolarHBondContact OG-OH 3.04Å; D1666-Y1957 VanDerWaalsContact OD2-CE1 3.23Å; D1666-Y1957 WeakPolarHBondContact OD2-CE1 3.44Å; D1666-Y1957 VanDerWaalsContact OD2-CZ 3.29Å; D1666-Y1957 PolarHBondContact OD2-OH 3.19Å; L1953-Y1957 WeakPolarHBondContact O-CD2 3.45Å; V1954-Y1957 CarbonylContact O-C 3.39Å; V1954-Y1957 WeakPolarHBondContact O-CA 3.23Å; V1954-Y1957 PolarHBondContact O-N 3.12Å; V1954-Y1957 VanDerWaalsContact O-O 3.14Å; E1955-Y1957 VanDerWaalsContact C-N 3.27Å; E1955-Y1957 HydrophobicContact CB-CE2 4.19Å; E1955-Y1957 WeakPolarHBondContact O-CD2 3.48Å; E1955-Y1957 PolarHBondContact O-N 3.05Å; E1955-Y1957 VanDerWaalsContact O-N 3.12Å; E1955-Y1957 PolarHBondContact OE2-OH 2.99Å; E1955-Y1957 VanDerWaalsContact OE2-OH 3.07Å; Y1957-V1959 VanDerWaalsContact C-N 3.3Å; Y1957-V1959 PolarHBondContact O-N 2.52Å; Y1957-D2128 HydrophobicContact CD1-CB 3.5Å; Y1957-D2128 VanDerWaalsContact CD1-CB 3.5Å; Y1957-D2128 VanDerWaalsContact CD1-OD1 3.26Å; Y1957-D2128 WeakPolarHBondContact CD1-OD1 3.37Å; Y1957-D2128 HydrophobicContact CD2-CB 4.45Å; Y1957-D2128 HydrophobicContact CE1-CB 3.8Å; Y1957-D2128 HydrophobicContact CG-CB 3.87Å | ||
| 1958 | A | 26 | Very low | 27.9 | Very low | 70.8 Ų | 70.8 | 112.3 Ų | 112.3 | 59% | 0.585 | 63% | 0.632 | S | S | * | * | trans | -36 | 98.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R1618 N1639 E1955 A1956 D1960 D2128 | R1618-A1958 PolarHBondContact NH1-O 3.05Å; R1618-A1958 PolarHBondContact NH2-O 2.94Å; N1639-A1958 PolarHBondContact ND2-O 2.9Å; E1955-A1958 VanDerWaalsContact O-CB 3.28Å; E1955-A1958 WeakPolarHBondContact O-CB 3.44Å; E1955-A1958 PolarHBondContact O-N 3.36Å; A1956-A1958 PolarHBondContact O-N 2.76Å; A1958-D1960 PolarHBondContact O-N 3.04Å; A1958-D2128 VanDerWaalsContact CA-OD1 3.26Å; A1958-D2128 WeakPolarHBondContact CA-OD1 3.15Å; A1958-D2128 PolarHBondContact N-OD1 3.13Å; A1958-D2128 PolarHBondContact N-OD2 2.96Å | ||
| 1959 | V | 27.6 | Very low | 27.8 | Very low | 91.8 Ų | 91.8 | 114.6 Ų | 114.6 | 56% | 0.556 | 64% | 0.635 | S | S | * | * | trans | -90.3 | 121.3 | 157.3 | 179.6 | 0 | 0 | 0 | 0 | 107.3 | A1641 Y1957 T1961 | A1641-V1959 HydrophobicContact CB-CG2 4.45Å; Y1957-V1959 VanDerWaalsContact C-N 3.3Å; Y1957-V1959 PolarHBondContact O-N 2.52Å; V1959-T1961 HydrophobicContact CG1-CG2 4.12Å; V1959-T1961 PolarHBondContact O-N 2.96Å | ||
| 1960 | D | 27.5 | Very low | 27.8 | Very low | 106 Ų | 106 | 112.7 Ų | 112.7 | 57% | 0.567 | 64% | 0.636 | S | S | * | * | trans | -90.9 | 125.1 | 176.2 | 179.6 | -0.4 | 0 | 0 | 0 | 110.4 | R1618 A1958 T1962 | R1618-D1960 WeakPolarHBondContact CD-OD2 3.26Å; R1618-D1960 IonicContact CZ-OD1 2.74Å; R1618-D1960 IonicContact CZ-OD2 2.73Å; R1618-D1960 IonicContact NE-OD2 3.66Å; R1618-D1960 PolarHBondContact NE-OD2 3.28Å; R1618-D1960 PolarHBondContact NH1-O 2.86Å; R1618-D1960 IonicContact NH1-OD1 3.71Å; R1618-D1960 PolarHBondContact NH1-OD1 3.08Å; R1618-D1960 IonicContact NH1-OD2 3.17Å; R1618-D1960 PolarHBondContact NH1-OD2 3.15Å; R1618-D1960 PolarHBondContact NH2-O 2.9Å; A1958-D1960 PolarHBondContact O-N 3.04Å; D1960-T1962 PolarHBondContact O-N 3.3Å; D1960-T1962 VanDerWaalsContact O-N 3.12Å; D1960-T1962 WeakPolarHBondContact OD1-CA 3.49Å; D1960-T1962 WeakPolarHBondContact OD1-CB 3.29Å; D1960-T1962 WeakPolarHBondContact OD1-CG2 3.35Å; D1960-T1962 PolarHBondContact OD1-N 3Å; D1960-T1962 PolarHBondContact OD1-OG1 3.26Å | ||
| 1961 | T | 27.6 | Very low | 27.9 | Very low | 112.8 Ų | 112.8 | 113.9 Ų | 113.9 | 69% | 0.692 | 64% | 0.639 | S | S | * | * | trans | -112.5 | 54.9 | -178.7 | 39.7 | 0 | 0 | 0 | 0 | 112.7 | V1959 S1963 P2123 | V1959-T1961 HydrophobicContact CG1-CG2 4.12Å; V1959-T1961 PolarHBondContact O-N 2.96Å; T1961-S1963 VanDerWaalsContact C-N 3.33Å; T1961-S1963 PolarHBondContact O-N 2.95Å; T1961-P2123 WeakPolarHBondContact CG2-O 3.33Å; T1961-P2123 PolarHBondContact OG1-O 3.13Å | ||
| 1962 | T | 28.2 | Very low | 28 | Very low | 110.4 Ų | 110.4 | 117.8 Ų | 117.8 | 68% | 0.677 | 65% | 0.649 | S | S | * | * | trans | -99.9 | 77.1 | 174.2 | 43.6 | 0 | 0 | 0 | 0 | 113.7 | D1960 | D1960-T1962 PolarHBondContact O-N 3.3Å; D1960-T1962 VanDerWaalsContact O-N 3.12Å; D1960-T1962 WeakPolarHBondContact OD1-CA 3.49Å; D1960-T1962 WeakPolarHBondContact OD1-CB 3.29Å; D1960-T1962 WeakPolarHBondContact OD1-CG2 3.35Å; D1960-T1962 PolarHBondContact OD1-N 3Å; D1960-T1962 PolarHBondContact OD1-OG1 3.26Å | ||
| 1963 | S | 28.3 | Very low | 28.2 | Very low | 89.6 Ų | 89.6 | 118.3 Ų | 118.3 | 63% | 0.627 | 65% | 0.651 | S | S | * | * | trans | 162 | 99.5 | 163.3 | 59.4 | 0 | 0 | 0 | 0 | 117.2 | T1961 | T1961-S1963 VanDerWaalsContact C-N 3.33Å; T1961-S1963 PolarHBondContact O-N 2.95Å | ||
| 1964 | I | 28.9 | Very low | 28.2 | Very low | 142.8 Ų | 142.8 | 117.6 Ų | 117.6 | 73% | 0.732 | 65% | 0.648 | S | S | * | * | trans | -173.5 | 141.4 | 143.5 | -49 | 170.4 | 0 | 0 | 0 | 114 | L2265 | I1964-L2265 HydrophobicContact CB-CD2 4.46Å; I1964-L2265 HydrophobicContact CD1-CD1 3.93Å; I1964-L2265 HydrophobicContact CG1-CD1 3.68Å; I1964-L2265 HydrophobicContact CG1-CD2 3.73Å; I1964-L2265 HydrophobicContact CG1-CG 4.37Å | ||
| 1965 | P | 28.7 | Very low | 28.1 | Very low | 106.6 Ų | 106.6 | 120.5 Ų | 120.5 | 69% | 0.692 | 66% | 0.659 | S | S | * | * | trans | -97.1 | 161.3 | -157.1 | 18.4 | -6.7 | 0 | 0 | 0 | 115 | E1967 L2265 | P1965-E1967 PolarHBondContact O-N 3Å; P1965-L2265 HydrophobicContact CG-CD2 3.93Å | ||
| 1966 | F | 26.4 | Very low | 28 | Very low | 178.8 Ų | 178.8 | 120.7 Ų | 120.7 | 78% | 0.784 | 66% | 0.664 | S | S | * | * | trans | -62.9 | 139.2 | 168.6 | -95.6 | -101.6 | 0 | 0 | 0 | 115.4 | W1990 T1991 | F1966-W1990 HydrophobicContact CE1-CE3 4.19Å; F1966-W1990 HydrophobicContact CE1-CZ3 4.13Å; F1966-W1990 AromaticContact CZ-CE3 3.91Å; F1966-W1990 HydrophobicContact CZ-CE3 3.91Å; F1966-W1990 AromaticContact CZ-CZ3 3.55Å; F1966-W1990 HydrophobicContact CZ-CZ3 3.55Å; F1966-T1991 HydrophobicContact CE1-CG2 4.25Å | ||
| 1967 | E | 29.4 | Very low | 28.1 | Very low | 138.8 Ų | 138.8 | 124.5 Ų | 124.5 | 65% | 0.649 | 68% | 0.682 | S | S | * | * | trans | 170.2 | 139.9 | 143.6 | -110.1 | -179.2 | -174.5 | 0 | 0 | 115.1 | P1965 N1992 | P1965-E1967 PolarHBondContact O-N 3Å; E1967-N1992 WeakPolarHBondContact OE1-CB 3.43Å; E1967-N1992 PolarHBondContact OE1-ND2 2.91Å | ||
| 1968 | Q | 28.5 | Very low | 28.1 | Very low | 161 Ų | 161 | 122.9 Ų | 122.9 | 75% | 0.752 | 69% | 0.693 | S | S | * | * | trans | 113.9 | 116.3 | 140.3 | -78.3 | -177.4 | 16.9 | 0 | 0 | 117.4 | ||||
| 1969 | I | 26.9 | Very low | 28.2 | Very low | 141.4 Ų | 141.4 | 127 Ų | 127 | 73% | 0.725 | 70% | 0.704 | S | S | * | * | trans | 51 | 128.5 | 134.4 | -69.6 | 158.7 | 0 | 0 | 0 | 115.7 | ||||
| 1970 | V | 29.4 | Very low | 28.4 | Very low | 117.4 Ų | 117.4 | 127 Ų | 127 | 71% | 0.712 | 71% | 0.706 | S | S | * | * | -152.9 | 146.7 | 106.1 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | E1972 | V1970-E1972 HydrophobicContact CG1-CG 4.2Š| |||
| 1971 | P | 30.1 | Very low | 28.5 | Very low | 97 Ų | 97 | 126.6 Ų | 126.6 | 63% | 0.63 | 71% | 0.711 | S | S | * | * | trans | -107.6 | 148.4 | 171.5 | 27.2 | -16.2 | 0 | 0 | 0 | 114.4 | V2060 | P1971-V2060 HydrophobicContact CB-CB 4.4Å; P1971-V2060 HydrophobicContact CB-CG1 3.98Å; P1971-V2060 HydrophobicContact CB-CG2 3.43Å; P1971-V2060 VanDerWaalsContact CB-CG2 3.43Å | ||
| 1972 | E | 29.4 | Very low | 28.6 | Very low | 170.6 Ų | 170.6 | 126.8 Ų | 126.8 | 80% | 0.797 | 71% | 0.708 | S | S | * | * | trans | -134.3 | 144 | 164 | -91.7 | -176.9 | 172.7 | 0 | 0 | 114.1 | V1970 L2057 | V1970-E1972 HydrophobicContact CG1-CG 4.2Å; E1972-L2057 WeakPolarHBondContact O-CD2 3.48Å | ||
| 1973 | T | 28.9 | Very low | 28.6 | Very low | 98.4 Ų | 98.4 | 127.7 Ų | 127.7 | 60% | 0.604 | 71% | 0.708 | S | S | * | * | trans | -108 | 127.4 | 160.2 | 50.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1974 | N | 28.4 | Very low | 28.5 | Very low | 136.8 Ų | 136.8 | 129.5 Ų | 129.5 | 73% | 0.732 | 71% | 0.709 | S | S | * | * | trans | 89.8 | 112.7 | 140.2 | -66.2 | -26.5 | 0 | 0 | 0 | 120.4 | L1976 T1977 | N1974-L1976 PolarHBondContact O-N 3.47Å; N1974-T1977 PolarHBondContact O-OG1 2.97Å | ||
| 1975 | L | 26.8 | Very low | 28.5 | Very low | 156.8 Ų | 156.8 | 128.3 Ų | 128.3 | 82% | 0.821 | 71% | 0.708 | S | S | * | * | trans | 152 | 102.5 | 141.5 | -96.5 | 115.1 | 0 | 0 | 0 | 116.1 | T1977 | L1975-T1977 PolarHBondContact O-N 3.42Š| ||
| 1976 | L | 25.3 | Very low | 28.4 | Very low | 140.8 Ų | 140.8 | 126.9 Ų | 126.9 | 74% | 0.737 | 71% | 0.706 | S | S | * | * | trans | 73.6 | 85.4 | 138.8 | -86.2 | 168.2 | 0 | 0 | 0 | 114.5 | N1974 | N1974-L1976 PolarHBondContact O-N 3.47Š| ||
| 1977 | T | 28.7 | Very low | 28.4 | Very low | 129.8 Ų | 129.8 | 124.6 Ų | 124.6 | 80% | 0.796 | 70% | 0.701 | S | S | * | * | -169.7 | 119.3 | 118.8 | 24.9 | 0 | 0 | 0 | 0 | 113.4 | N1974 L1975 | N1974-T1977 PolarHBondContact O-OG1 2.97Å; L1975-T1977 PolarHBondContact O-N 3.42Å | |||
| 1978 | A | 29.8 | Very low | 28.4 | Very low | 82.4 Ų | 82.4 | 122.3 Ų | 122.3 | 68% | 0.681 | 70% | 0.698 | S | S | * | * | trans | 168.6 | 99.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1979 | L | 27.3 | Very low | 28.2 | Very low | 157.6 Ų | 157.6 | 121.7 Ų | 121.7 | 83% | 0.825 | 70% | 0.695 | S | S | * | * | trans | -130.7 | 143.5 | 133.1 | -82.3 | 167.8 | 0 | 0 | 0 | 109.8 | I1983 | L1979-I1983 HydrophobicContact CD2-CD1 3.76Š| ||
| 1980 | P | 31.4 | Very low | 28.2 | Very low | 91.2 Ų | 91.2 | 125 Ų | 125 | 59% | 0.592 | 70% | 0.699 | S | S | * | * | trans | -102.1 | 166.8 | -175.1 | 9.7 | 6.4 | 0 | 0 | 0 | 113.2 | D1982 | P1980-D1982 HydrophobicContact CB-CB 4.19Å; P1980-D1982 VanDerWaalsContact CB-OD2 3.23Å; P1980-D1982 WeakPolarHBondContact CB-OD2 3.29Å; P1980-D1982 PolarHBondContact O-N 3.09Å; P1980-D1982 VanDerWaalsContact O-N 3.11Å | ||
| 1981 | S | 28.9 | Very low | 28.2 | Very low | 97 Ų | 97 | 125 Ų | 125 | 68% | 0.678 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -53 | 83.6 | 174.1 | 22.9 | 0 | 0 | 0 | 0 | 115.3 | L1276 K1277 I1983 | L1276-S1981 WeakPolarHBondContact CD2-O 3.38Å; K1277-S1981 VanDerWaalsContact CA-OG 3.28Å; K1277-S1981 WeakPolarHBondContact CA-OG 3.35Å; K1277-S1981 PolarHBondContact N-OG 2.98Å; K1277-S1981 VanDerWaalsContact N-OG 3.07Å; S1981-I1983 PolarHBondContact O-N 3.1Å |
| 1982 | D | 29.8 | Very low | 28.1 | Very low | 118.6 Ų | 118.6 | 127.4 Ų | 127.4 | 63% | 0.634 | 71% | 0.707 | S | S | * | * | trans | -133.3 | 79.2 | 151 | -78.3 | -51.5 | 0 | 0 | 0 | 111.1 | L1276 K1277 P1980 I1984 T1985 R2075 | L1276-D1982 HydrophobicContact CB-CB 4.28Å; L1276-D1982 VanDerWaalsContact CB-OD1 3.3Å; L1276-D1982 WeakPolarHBondContact CB-OD1 3.49Å; L1276-D1982 VanDerWaalsContact O-CG 3.26Å; L1276-D1982 VanDerWaalsContact O-OD2 3.06Å; K1277-D1982 IonicContact NZ-OD1 2.65Å; K1277-D1982 IonicContact NZ-OD2 2.62Å; K1277-D1982 PolarHBondContact NZ-OD2 3.39Å; P1980-D1982 HydrophobicContact CB-CB 4.19Å; P1980-D1982 VanDerWaalsContact CB-OD2 3.23Å; P1980-D1982 WeakPolarHBondContact CB-OD2 3.29Å; P1980-D1982 PolarHBondContact O-N 3.09Å; P1980-D1982 VanDerWaalsContact O-N 3.11Å; D1982-I1984 PolarHBondContact O-N 2.76Å; D1982-T1985 PolarHBondContact O-OG1 2.77Å; D1982-R2075 PolarHBondContact O-NH1 3.2Å | ||
| 1983 | I | 28.7 | Very low | 28.2 | Very low | 128.6 Ų | 128.6 | 124.3 Ų | 124.3 | 66% | 0.659 | 70% | 0.701 | S | S | * | * | trans | -122.5 | 95.1 | -178.8 | -65.1 | 173.5 | 0 | 0 | 0 | 110.5 | L1979 S1981 | L1979-I1983 HydrophobicContact CD2-CD1 3.76Å; S1981-I1983 PolarHBondContact O-N 3.1Å | ||
| 1984 | I | 26.9 | Very low | 28.1 | Very low | 127.2 Ų | 127.2 | 124.5 Ų | 124.5 | 65% | 0.652 | 71% | 0.713 | S | S | * | * | trans | -135.5 | 96.1 | 148.6 | -59 | 174 | 0 | 0 | 0 | 112.6 | D1982 A1986 R2068 L2071 L2072 | D1982-I1984 PolarHBondContact O-N 2.76Å; I1984-A1986 PolarHBondContact O-N 3.04Å; I1984-A1986 VanDerWaalsContact O-N 3.14Å; I1984-R2068 HydrophobicContact CD1-CG 3.86Å; I1984-L2071 HydrophobicContact CG2-CB 4.32Å; I1984-L2071 HydrophobicContact CG2-CD1 3.74Å; I1984-L2071 HydrophobicContact CG2-CD2 4.24Å; I1984-L2071 HydrophobicContact CG2-CG 4.29Å; I1984-L2072 HydrophobicContact CD1-CD1 4.32Å; I1984-L2072 HydrophobicContact CD1-CD2 3.96Å; I1984-L2072 HydrophobicContact CD1-CG 3.97Å; I1984-L2072 HydrophobicContact CG1-CD2 4.29Å | ||
| 1985 | T | 28.1 | Very low | 28.1 | Very low | 117.2 Ų | 117.2 | 121.2 Ų | 121.2 | 72% | 0.719 | 71% | 0.711 | S | S | * | * | trans | -170.2 | 105.5 | 159.6 | 42.7 | 0 | 0 | 0 | 0 | 112.5 | L1276 D1982 | L1276-T1985 HydrophobicContact CD1-CG2 3.74Å; L1276-T1985 WeakPolarHBondContact CD1-OG1 3.48Å; L1276-T1985 HydrophobicContact CD2-CG2 4.35Å; D1982-T1985 PolarHBondContact O-OG1 2.77Å | ||
| 1986 | A | 27.9 | Very low | 28 | Very low | 77.2 Ų | 77.2 | 124.3 Ų | 124.3 | 64% | 0.638 | 71% | 0.713 | S | S | * | * | trans | -147 | 84.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1984 | I1984-A1986 PolarHBondContact O-N 3.04Å; I1984-A1986 VanDerWaalsContact O-N 3.14Å | ||
| 1987 | L | 25.2 | Very low | 28.1 | Very low | 130.2 Ų | 130.2 | 124.2 Ų | 124.2 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | trans | -96 | 152.2 | 168.7 | -83 | 166.6 | 0 | 0 | 0 | 110 | E1989 R2067 N2070 L2071 | L1987-E1989 PolarHBondContact O-N 3.17Å; L1987-E1989 VanDerWaalsContact O-N 3.1Å; L1987-R2067 HydrophobicContact CB-CG 3.74Å; L1987-R2067 HydrophobicContact CD1-CB 4.28Å; L1987-R2067 HydrophobicContact CD1-CG 3.66Å; L1987-R2067 WeakPolarHBondContact CD1-O 3.29Å; L1987-R2067 HydrophobicContact CG-CG 4.4Å; L1987-R2067 PolarHBondContact O-NH2 3.43Å; L1987-N2070 HydrophobicContact CD1-CB 3.62Å; L1987-L2071 HydrophobicContact CB-CD1 4.22Å; L1987-L2071 HydrophobicContact CB-CG 4.23Å; L1987-L2071 HydrophobicContact CD1-CB 4.49Å; L1987-L2071 HydrophobicContact CD1-CD1 4.2Å; L1987-L2071 HydrophobicContact CD1-CG 3.8Å; L1987-L2071 HydrophobicContact CG-CD1 4.27Å; L1987-L2071 HydrophobicContact CG-CD2 4.27Å; L1987-L2071 HydrophobicContact CG-CG 3.77Å | ||
| 1988 | P | 28.7 | Very low | 28 | Very low | 91.4 Ų | 91.4 | 123.5 Ų | 123.5 | 59% | 0.594 | 71% | 0.708 | S | S | * | * | trans | -104.8 | 144.2 | -173.1 | 29.2 | -21.1 | 0 | 0 | 0 | 113.3 | W1990 R2067 | P1988-W1990 PolarHBondContact O-N 2.85Å; P1988-R2067 PolarHBondContact O-NH1 2.97Å; P1988-R2067 PolarHBondContact O-NH2 2.84Å | ||
| 1989 | E | 26.3 | Very low | 27.8 | Very low | 148 Ų | 148 | 124.8 Ų | 124.8 | 69% | 0.692 | 71% | 0.712 | S | S | * | * | trans | 26.6 | 137.4 | 132.6 | -77.6 | -172.4 | 161.2 | 0 | 0 | 117.3 | R1618 L1987 T1991 | R1618-E1989 PolarHBondContact NH2-O 3.12Å; L1987-E1989 PolarHBondContact O-N 3.17Å; L1987-E1989 VanDerWaalsContact O-N 3.1Å; E1989-T1991 PolarHBondContact O-N 3.08Å; E1989-T1991 VanDerWaalsContact O-N 3.08Å | ||
| 1990 | W | 26.9 | Very low | 27.8 | Very low | 211.6 Ų | 211.6 | 121.6 Ų | 121.6 | 80% | 0.802 | 71% | 0.709 | S | S | * | * | trans | 45.5 | 123.7 | 166.2 | -67.3 | 38.2 | 0 | 0 | 0 | 114.8 | F1966 P1988 | F1966-W1990 HydrophobicContact CE1-CE3 4.19Å; F1966-W1990 HydrophobicContact CE1-CZ3 4.13Å; F1966-W1990 AromaticContact CZ-CE3 3.91Å; F1966-W1990 HydrophobicContact CZ-CE3 3.91Å; F1966-W1990 AromaticContact CZ-CZ3 3.55Å; F1966-W1990 HydrophobicContact CZ-CZ3 3.55Å; P1988-W1990 PolarHBondContact O-N 2.85Å | ||
| 1991 | T | 29 | Very low | 27.6 | Very low | 117.2 Ų | 117.2 | 123.9 Ų | 123.9 | 72% | 0.719 | 72% | 0.721 | S | S | * | * | 119.8 | 132.8 | 120.2 | 59.4 | 0 | 0 | 0 | 0 | 116.2 | F1966 E1989 | F1966-T1991 HydrophobicContact CE1-CG2 4.25Å; E1989-T1991 PolarHBondContact O-N 3.08Å; E1989-T1991 VanDerWaalsContact O-N 3.08Å | |||
| 1992 | N | 27.5 | Very low | 27.4 | Very low | 146.6 Ų | 146.6 | 122.8 Ų | 122.8 | 78% | 0.784 | 73% | 0.725 | S | S | * | * | trans | -53.1 | 163 | -177.1 | -109.3 | -14 | 0 | 0 | 0 | 116.7 | E1967 | E1967-N1992 WeakPolarHBondContact OE1-CB 3.43Å; E1967-N1992 PolarHBondContact OE1-ND2 2.91Å | ||
| 1993 | P | 31 | Very low | 27.2 | Very low | 106 Ų | 106 | 124.9 Ų | 124.9 | 69% | 0.688 | 74% | 0.735 | S | S | * | * | trans | -115.9 | 173.5 | -149.4 | 32.8 | -18.2 | 0 | 0 | 0 | 115.3 | ||||
| 1994 | A | 27.1 | Very low | 27 | Very low | 102.8 Ų | 102.8 | 129.1 Ų | 129.1 | 85% | 0.85 | 74% | 0.742 | S | S | * | * | trans | 89.5 | 130.1 | 148.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1995 | G | 27.9 | Very low | 27 | Very low | 67.2 Ų | 67.2 | 133.3 Ų | 133.3 | 69% | 0.693 | 75% | 0.751 | S | S | * | * | trans | 132.3 | 109 | 162.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1996 | Y | 26.4 | Very low | 27 | Very low | 221.2 Ų | 221.2 | 131 Ų | 131 | 87% | 0.867 | 75% | 0.752 | S | S | * | * | 72.6 | 139.2 | 119.6 | -90.5 | -86.1 | 0 | 0 | 0 | 116.5 | |||||
| 1997 | I | 27.2 | Very low | 27 | Very low | 139.4 Ų | 139.4 | 134.2 Ų | 134.2 | 72% | 0.715 | 76% | 0.757 | S | S | * | * | 122.2 | 118.4 | 122.1 | -72.5 | -178.4 | 0 | 0 | 0 | 116.3 | |||||
| 1998 | T | 26 | Very low | 27 | Very low | 114.2 Ų | 114.2 | 138.2 Ų | 138.2 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | 37.1 | 138.7 | 147.5 | 65.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1999 | S | 25.3 | Very low | 26.9 | Very low | 110.8 Ų | 110.8 | 141.9 Ų | 141.9 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | 82.9 | 142.2 | 119.6 | 70.3 | 0 | 0 | 0 | 0 | 120 | |||||
| 2000 | A | 27 | Very low | 26.9 | Very low | 90.2 Ų | 90.2 | 141.1 Ų | 141.1 | 75% | 0.745 | 77% | 0.767 | S | S | * | * | trans | 106.1 | 127.2 | 145.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 2001 | T | 26.8 | Very low | 26.8 | Very low | 139.8 Ų | 139.8 | 137.1 Ų | 137.1 | 86% | 0.858 | 76% | 0.757 | S | S | * | * | trans | -26.3 | 124.6 | 166.1 | 50.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 2002 | G | 25.7 | Very low | 26.8 | Very low | 74.4 Ų | 74.4 | 141 Ų | 141 | 77% | 0.767 | 76% | 0.76 | S | S | * | * | trans | -144.1 | 134.2 | 150.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 2003 | I | 26.1 | Very low | 27 | Very low | 162 Ų | 162 | 139.1 Ų | 139.1 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | trans | -125.1 | 132.2 | 162 | -72.4 | 163 | 0 | 0 | 0 | 110.5 | ||||
| 2004 | R | 24.6 | Very low | 26.8 | Very low | 217 Ų | 217 | 141.4 Ų | 141.4 | 82% | 0.819 | 76% | 0.759 | S | S | * | * | trans | -170.3 | 146.7 | 143.8 | -94.3 | 172.2 | -174 | -171.8 | 1.6 | 112.8 | ||||
| 2005 | Y | 25.6 | Very low | 26.9 | Very low | 214.8 Ų | 214.8 | 143.3 Ų | 143.3 | 84% | 0.842 | 75% | 0.75 | S | S | * | * | trans | 164.7 | 138.9 | 144.6 | -87.7 | -70.4 | 0 | 0 | 0 | 114.4 | ||||
| 2006 | G | 28.2 | Very low | 26.9 | Very low | 70 Ų | 70 | 150.2 Ų | 150.2 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | -178.5 | 127.3 | 164 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 2007 | N | 27.5 | Very low | 26.8 | Very low | 142.8 Ų | 142.8 | 143.7 Ų | 143.7 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | trans | -72.5 | 142.1 | 171.1 | -85.5 | -40.1 | 0 | 0 | 0 | 114.6 | ||||
| 2008 | R | 27 | Very low | 26.8 | Very low | 215.2 Ų | 215.2 | 146 Ų | 146 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | 139.4 | 143.2 | 91.6 | -98.9 | 173.4 | -176.1 | -171.2 | 1.1 | 112.5 | |||||
| 2009 | K | 25.6 | Very low | 26.8 | Very low | 168.2 Ų | 168.2 | 144.4 Ų | 144.4 | 73% | 0.731 | 74% | 0.741 | S | S | * | * | 94.2 | 146.7 | 117.6 | -86.1 | 175.2 | 171.8 | -133.8 | 0 | 116.1 | E2011 | K2009-E2011 WeakPolarHBondContact CE-OE1 3.16Å; K2009-E2011 IonicContact NZ-OE1 3.6Å; K2009-E2011 PolarHBondContact NZ-OE1 3.3Å | |||
| 2010 | Q | 26.3 | Very low | 26.9 | Very low | 132.6 Ų | 132.6 | 146.4 Ų | 146.4 | 62% | 0.62 | 74% | 0.738 | S | S | * | * | 112.2 | 142.1 | 65.4 | -81.3 | 178.3 | -80.1 | 0 | 0 | 115.3 | M3096 | Q2010-M3096 WeakPolarHBondContact O-CE 3.46Š| |||
| 2011 | E | 25.1 | Very low | 27 | Very low | 125.8 Ų | 125.8 | 149.6 Ų | 149.6 | 59% | 0.588 | 74% | 0.737 | S | S | * | * | 103.2 | 144.4 | 71.1 | -84.3 | 157.5 | -164.7 | 0 | 0 | 115.1 | K2009 | K2009-E2011 WeakPolarHBondContact CE-OE1 3.16Å; K2009-E2011 IonicContact NZ-OE1 3.6Å; K2009-E2011 PolarHBondContact NZ-OE1 3.3Å | |||
| 2012 | Y | 28.2 | Very low | 26.9 | Very low | 199.6 Ų | 199.6 | 149.3 Ų | 149.3 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | -128.3 | 157.6 | 88.7 | -83.7 | -66.3 | 0 | 0 | 0 | 114.4 | G3094 | Y2012-G3094 WeakPolarHBondContact OH-CA 3.46Š| |||
| 2013 | P | 32.3 | Very low | 27 | Very low | 107.8 Ų | 107.8 | 150 Ų | 150 | 70% | 0.7 | 72% | 0.723 | S | S | * | * | trans | -129 | 171.1 | 159.4 | 35.7 | -19.1 | 0 | 0 | 0 | 116.4 | ||||
| 2014 | M | 26.6 | Very low | 27.1 | Very low | 152.8 Ų | 152.8 | 148.9 Ų | 148.9 | 75% | 0.753 | 72% | 0.719 | S | S | * | * | trans | 76.7 | 150.8 | 145.4 | -76 | -149.1 | -146.6 | 0 | 0 | 116.6 | ||||
| 2015 | H | 29.6 | Very low | 27.1 | Very low | 144.2 Ų | 144.2 | 147 Ų | 147 | 67% | 0.668 | 72% | 0.717 | S | S | * | * | cis | -159.9 | 153.7 | 43.5 | -101.6 | -53.8 | 0 | 0 | 0 | 113.5 | ||||
| 2016 | R | 26.8 | Very low | 27.2 | Very low | 211 Ų | 211 | 144.8 Ų | 144.8 | 80% | 0.796 | 71% | 0.714 | S | S | * | * | 81.2 | 148.1 | 109.4 | -90.3 | -176 | -177.5 | 162.4 | -1.1 | 114.1 | |||||
| 2017 | S | 25.3 | Very low | 27.1 | Very low | 84.4 Ų | 84.4 | 149.9 Ų | 149.9 | 59% | 0.59 | 72% | 0.719 | S | S | * | * | cis | 172.5 | 167.5 | 21.5 | 52.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 2018 | F | 26.6 | Very low | 27.2 | Very low | 187.6 Ų | 187.6 | 148.6 Ų | 148.6 | 82% | 0.823 | 72% | 0.716 | S | S | * | * | trans | 73.6 | 146.7 | 156.8 | -69.4 | -84.1 | 0 | 0 | 0 | 115.6 | ||||
| 2019 | S | 25.6 | Very low | 27.2 | Very low | 81.8 Ų | 81.8 | 144.6 Ų | 144.6 | 57% | 0.572 | 71% | 0.711 | S | S | * | * | cis | 93.5 | 149.4 | 39 | 116.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 2020 | E | 27.8 | Very low | 27.4 | Very low | 152.6 Ų | 152.6 | 142.9 Ų | 142.9 | 71% | 0.713 | 71% | 0.71 | S | S | * | * | cis | -131.4 | 167.8 | 40.9 | -108.8 | 132.2 | 177.2 | 0 | 0 | 115.2 | N2022 | E2020-N2022 PolarHBondContact OE1-ND2 2.92Š| ||
| 2021 | H | 28.7 | Very low | 27.5 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | 118.3 | 141.4 | 78.2 | -104.2 | -37.3 | 0 | 0 | 0 | 115.2 | |||||
| 2022 | N | 26 | Very low | 27.7 | Very low | 133.4 Ų | 133.4 | 148.7 Ų | 148.7 | 71% | 0.713 | 73% | 0.725 | S | S | * | * | 59.2 | 133 | 123.8 | -67.4 | -15.2 | 0 | 0 | 0 | 115.6 | E2020 | E2020-N2022 PolarHBondContact OE1-ND2 2.92Š| |||
| 2023 | S | 26.7 | Very low | 27.7 | Very low | 88.4 Ų | 88.4 | 146.7 Ų | 146.7 | 62% | 0.618 | 72% | 0.723 | S | S | * | * | cis | 168.8 | 162.6 | 20.2 | 54.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 2024 | N | 28 | Very low | 27.6 | Very low | 140.6 Ų | 140.6 | 153.3 Ų | 153.3 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | trans | 85 | 134.9 | 134.4 | -69.1 | -32.5 | 0 | 0 | 0 | 118.5 | ||||
| 2025 | K | 25.4 | Very low | 27.7 | Very low | 176.8 Ų | 176.8 | 151.4 Ų | 151.4 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | trans | 65.8 | 135.6 | 130.9 | -74.4 | 176.3 | 166.9 | -144.8 | 0 | 116.9 | ||||
| 2026 | E | 27.1 | Very low | 27.8 | Very low | 168 Ų | 168 | 147.8 Ų | 147.8 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | trans | 111 | 149.9 | 132.3 | -87.1 | 170.7 | 170.4 | 0 | 0 | 115.6 | ||||
| 2027 | Q | 25.9 | Very low | 28.2 | Very low | 177.6 Ų | 177.6 | 145.9 Ų | 145.9 | 83% | 0.83 | 74% | 0.735 | S | S | * | * | trans | 100.1 | 133.3 | 177.5 | -141.5 | -168.4 | -33.9 | 0 | 0 | 113 | ||||
| 2028 | V | 29.6 | Very low | 29.1 | Very low | 116 Ų | 116 | 145.1 Ų | 145.1 | 70% | 0.703 | 73% | 0.73 | S | S | * | * | -160.8 | 150.8 | 119.2 | 140.7 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 2029 | D | 27.1 | Very low | 29.9 | Very low | 129.8 Ų | 129.8 | 142 Ų | 142 | 69% | 0.694 | 72% | 0.718 | S | S | * | * | trans | -26.2 | 149.4 | 170.8 | -67.9 | -40.3 | 0 | 0 | 0 | 116.2 | K2031 | D2029-K2031 VanDerWaalsContact CG-NZ 3.29Å; D2029-K2031 IonicContact OD1-NZ 3.32Å; D2029-K2031 PolarHBondContact OD1-NZ 2.99Å; D2029-K2031 IonicContact OD2-NZ 2.85Å; D2029-K2031 PolarHBondContact OD2-NZ 2.98Å | ||
| 2030 | D | 31.4 | Very low | 30.8 | Very low | 132.8 Ų | 132.8 | 141.9 Ų | 141.9 | 71% | 0.71 | 72% | 0.717 | S | S | * | * | -148.8 | 146.8 | 91.8 | -142.3 | -10.3 | 0 | 0 | 0 | 111.9 | R2032 | D2030-R2032 PolarHBondContact O-N 3.1Å; D2030-R2032 PolarHBondContact OD1-N 3.21Å | |||
| 2031 | K | 27.9 | Very low | 31.7 | Very low | 163.6 Ų | 163.6 | 136.6 Ų | 136.6 | 71% | 0.711 | 70% | 0.699 | S | S | * | * | trans | -66.1 | 116 | 167.3 | -76.7 | 166.4 | -169.7 | 126.5 | 0 | 113.5 | D2029 | D2029-K2031 VanDerWaalsContact CG-NZ 3.29Å; D2029-K2031 IonicContact OD1-NZ 3.32Å; D2029-K2031 PolarHBondContact OD1-NZ 2.99Å; D2029-K2031 IonicContact OD2-NZ 2.85Å; D2029-K2031 PolarHBondContact OD2-NZ 2.98Å | ||
| 2032 | R | 28.8 | Very low | 32.5 | Very low | 216.4 Ų | 216.4 | 134.3 Ų | 134.3 | 82% | 0.817 | 69% | 0.687 | S | S | * | * | -159.4 | 139.1 | 123.4 | -92.3 | 177.4 | -171.4 | 177.3 | 2.1 | 111.1 | D2030 | D2030-R2032 PolarHBondContact O-N 3.1Å; D2030-R2032 PolarHBondContact OD1-N 3.21Å | |||
| 2033 | E | 28.5 | Very low | 33.8 | Very low | 158.4 Ų | 158.4 | 134.4 Ų | 134.4 | 74% | 0.74 | 69% | 0.685 | S | S | * | * | trans | -117.2 | 143.6 | 144.6 | -87.4 | 157 | 162.4 | 0 | 0 | 111.1 | ||||
| 2034 | W | 31 | Very low | 35.1 | Very low | 245.4 Ų | 245.4 | 134.4 Ų | 134.4 | 93% | 0.93 | 68% | 0.681 | S | S | * | * | trans | -138.9 | 83.2 | 143.6 | -83.9 | 68.4 | 0 | 0 | 0 | 111.3 | G2036 F2037 | W2034-G2036 PolarHBondContact O-N 3.13Å; W2034-G2036 VanDerWaalsContact O-N 3.1Å; W2034-F2037 HydrophobicContact CZ3-CE2 4.19Å | ||
| 2035 | S | 28.2 | Very low | 36.3 | Very low | 114.2 Ų | 114.2 | 129.9 Ų | 129.9 | 80% | 0.799 | 66% | 0.664 | S | S | * | * | trans | -75 | 108.4 | 169.5 | 56.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2036 | G | 32 | Very low | 37.9 | Very low | 67.4 Ų | 67.4 | 125.1 Ų | 125.1 | 70% | 0.695 | 65% | 0.652 | S | S | * | * | trans | 174.3 | 43.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | W2034 | W2034-G2036 PolarHBondContact O-N 3.13Å; W2034-G2036 VanDerWaalsContact O-N 3.1Å | ||
| 2037 | F | 33.3 | Very low | 39.7 | Very low | 171 Ų | 171 | 121.2 Ų | 121.2 | 75% | 0.75 | 64% | 0.64 | S | S | * | * | trans | -138.8 | 143.3 | 161.4 | -103.3 | -78.1 | 0 | 0 | 0 | 112.3 | W2034 A2041 K2042 | W2034-F2037 HydrophobicContact CZ3-CE2 4.19Å; F2037-A2041 HydrophobicContact CB-CB 4.33Å; F2037-A2041 HydrophobicContact CD1-CB 3.6Å; F2037-A2041 HydrophobicContact CE1-CB 3.88Å; F2037-A2041 HydrophobicContact CG-CB 4.1Å; F2037-K2042 VanDerWaalsContact O-CE 3.27Å; F2037-K2042 WeakPolarHBondContact O-CE 3.43Å | ||
| 2038 | S | 46.1 | Very low | 41.2 | Very low | 67.6 Ų | 67.6 | 116.4 Ų | 116.4 | 47% | 0.473 | 63% | 0.625 | S | S | . | * | trans | -42.4 | 140.7 | -179 | -178.1 | 0 | 0 | 0 | 0 | 115.6 | S2040 A2041 K2042 | S2038-S2040 VanDerWaalsContact C-N 3.29Å; S2038-S2040 WeakPolarHBondContact CB-OG 3.27Å; S2038-S2040 PolarHBondContact O-N 3.17Å; S2038-S2040 VanDerWaalsContact O-N 3.14Å; S2038-S2040 WeakPolarHBondContact OG-CB 3.35Å; S2038-S2040 PolarHBondContact OG-N 3.24Å; S2038-S2040 VanDerWaalsContact OG-N 3.1Å; S2038-S2040 PolarHBondContact OG-OG 3.02Å; S2038-A2041 CarbonylContact O-C 3.51Å; S2038-A2041 WeakPolarHBondContact O-CA 3.2Å; S2038-A2041 WeakPolarHBondContact O-CB 3.22Å; S2038-A2041 PolarHBondContact O-N 3.12Å; S2038-K2042 PolarHBondContact O-N 2.93Å | ||
| 2039 | E | 42.8 | Very low | 43.1 | Very low | 123.4 Ų | 123.4 | 115.7 Ų | 115.7 | 58% | 0.577 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -54.3 | -31.5 | 170.3 | -73.5 | -59.1 | 123.5 | 0 | 0 | 113.4 | A2041 K2042 M2043 | E2039-A2041 VanDerWaalsContact C-N 3.27Å; E2039-A2041 PolarHBondContact O-N 3.19Å; E2039-K2042 WeakPolarHBondContact O-CB 3.29Å; E2039-K2042 PolarHBondContact O-N 2.9Å; E2039-K2042 VanDerWaalsContact O-N 3.1Å; E2039-K2042 WeakPolarHBondContact OE1-CD 3.26Å; E2039-K2042 VanDerWaalsContact OE1-CE 3.31Å; E2039-K2042 WeakPolarHBondContact OE1-CE 3.26Å; E2039-K2042 IonicContact OE1-NZ 3.08Å; E2039-K2042 PolarHBondContact OE1-NZ 3.16Å; E2039-M2043 WeakPolarHBondContact O-CB 3.32Å; E2039-M2043 WeakPolarHBondContact O-CG 3.42Å; E2039-M2043 PolarHBondContact O-N 3.11Å |
| 2040 | S | 45 | Very low | 45.1 | Very low | 80.4 Ų | 80.4 | 111.4 Ų | 111.4 | 56% | 0.562 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -61.8 | -34.6 | 175.3 | 61.1 | 0 | 0 | 0 | 0 | 112.9 | S2038 K2042 M2043 T2044 | S2038-S2040 VanDerWaalsContact C-N 3.29Å; S2038-S2040 WeakPolarHBondContact CB-OG 3.27Å; S2038-S2040 PolarHBondContact O-N 3.17Å; S2038-S2040 VanDerWaalsContact O-N 3.14Å; S2038-S2040 WeakPolarHBondContact OG-CB 3.35Å; S2038-S2040 PolarHBondContact OG-N 3.24Å; S2038-S2040 VanDerWaalsContact OG-N 3.1Å; S2038-S2040 PolarHBondContact OG-OG 3.02Å; S2040-K2042 VanDerWaalsContact C-N 3.33Å; S2040-K2042 PolarHBondContact O-N 3.28Å; S2040-M2043 WeakPolarHBondContact O-CB 3.45Å; S2040-M2043 PolarHBondContact O-N 3.1Å; S2040-T2044 PolarHBondContact O-N 2.97Å; S2040-T2044 VanDerWaalsContact O-N 3.08Å; S2040-T2044 PolarHBondContact O-OG1 3.16Å; S2040-T2044 VanDerWaalsContact O-OG1 3.1Å |
| 2041 | A | 46.8 | Very low | 47.1 | Very low | 39.8 Ų | 39.8 | 109.4 Ų | 109.4 | 33% | 0.329 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -74.7 | -33.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F2037 S2038 E2039 M2043 T2044 A2045 | F2037-A2041 HydrophobicContact CB-CB 4.33Å; F2037-A2041 HydrophobicContact CD1-CB 3.6Å; F2037-A2041 HydrophobicContact CE1-CB 3.88Å; F2037-A2041 HydrophobicContact CG-CB 4.1Å; S2038-A2041 CarbonylContact O-C 3.51Å; S2038-A2041 WeakPolarHBondContact O-CA 3.2Å; S2038-A2041 WeakPolarHBondContact O-CB 3.22Å; S2038-A2041 PolarHBondContact O-N 3.12Å; E2039-A2041 VanDerWaalsContact C-N 3.27Å; E2039-A2041 PolarHBondContact O-N 3.19Å; A2041-M2043 VanDerWaalsContact C-N 3.34Å; A2041-T2044 WeakPolarHBondContact CA-OG1 3.32Å; A2041-T2044 PolarHBondContact O-N 3.27Å; A2041-T2044 PolarHBondContact O-OG1 3.09Å; A2041-T2044 VanDerWaalsContact O-OG1 3.14Å; A2041-A2045 WeakPolarHBondContact O-CB 3.41Å; A2041-A2045 PolarHBondContact O-N 3.23Å |
| 2042 | K | 44.7 | Very low | 49.2 | Very low | 110.2 Ų | 110.2 | 105.8 Ų | 105.8 | 48% | 0.479 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.1 | -39.8 | 173.9 | -62.7 | -179.5 | -170.1 | 166.9 | 0 | 111.5 | F2037 S2038 E2039 S2040 A2045 S2046 | F2037-K2042 VanDerWaalsContact O-CE 3.27Å; F2037-K2042 WeakPolarHBondContact O-CE 3.43Å; S2038-K2042 PolarHBondContact O-N 2.93Å; E2039-K2042 WeakPolarHBondContact O-CB 3.29Å; E2039-K2042 PolarHBondContact O-N 2.9Å; E2039-K2042 VanDerWaalsContact O-N 3.1Å; E2039-K2042 WeakPolarHBondContact OE1-CD 3.26Å; E2039-K2042 VanDerWaalsContact OE1-CE 3.31Å; E2039-K2042 WeakPolarHBondContact OE1-CE 3.26Å; E2039-K2042 IonicContact OE1-NZ 3.08Å; E2039-K2042 PolarHBondContact OE1-NZ 3.16Å; S2040-K2042 VanDerWaalsContact C-N 3.33Å; S2040-K2042 PolarHBondContact O-N 3.28Å; K2042-A2045 PolarHBondContact O-N 3.01Å; K2042-S2046 VanDerWaalsContact O-CB 3.27Å; K2042-S2046 WeakPolarHBondContact O-CB 3.31Å; K2042-S2046 PolarHBondContact O-N 3.21Å; K2042-S2046 PolarHBondContact O-OG 3.19Å |
| 2043 | M | 52.7 | Low | 51.5 | Low | 134.2 Ų | 134.2 | 99.8 Ų | 99.8 | 66% | 0.661 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.9 | -46.4 | 175.4 | -77.6 | -86.1 | -86.5 | 0 | 0 | 112 | E2039 S2040 A2041 S2046 V2047 | E2039-M2043 WeakPolarHBondContact O-CB 3.32Å; E2039-M2043 WeakPolarHBondContact O-CG 3.42Å; E2039-M2043 PolarHBondContact O-N 3.11Å; S2040-M2043 WeakPolarHBondContact O-CB 3.45Å; S2040-M2043 PolarHBondContact O-N 3.1Å; A2041-M2043 VanDerWaalsContact C-N 3.34Å; M2043-S2046 PolarHBondContact O-N 3.16Å; M2043-S2046 PolarHBondContact O-OG 3.01Å; M2043-V2047 VanDerWaalsContact O-CG2 3.31Å; M2043-V2047 WeakPolarHBondContact O-CG2 3.4Å; M2043-V2047 PolarHBondContact O-N 3.29Å |
| 2044 | T | 54.8 | Low | 53.7 | Low | 89 Ų | 89 | 94.4 Ų | 94.4 | 55% | 0.546 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 175.5 | 45.4 | 0 | 0 | 0 | 0 | 112.5 | S2040 A2041 S2046 V2047 C2048 | S2040-T2044 PolarHBondContact O-N 2.97Å; S2040-T2044 VanDerWaalsContact O-N 3.08Å; S2040-T2044 PolarHBondContact O-OG1 3.16Å; S2040-T2044 VanDerWaalsContact O-OG1 3.1Å; A2041-T2044 WeakPolarHBondContact CA-OG1 3.32Å; A2041-T2044 PolarHBondContact O-N 3.27Å; A2041-T2044 PolarHBondContact O-OG1 3.09Å; A2041-T2044 VanDerWaalsContact O-OG1 3.14Å; T2044-S2046 VanDerWaalsContact C-N 3.34Å; T2044-S2046 PolarHBondContact O-N 2.95Å; T2044-V2047 PolarHBondContact O-N 3.07Å; T2044-C2048 WeakPolarHBondContact O-CB 3.37Å; T2044-C2048 PolarHBondContact O-N 3.4Å; T2044-C2048 PolarHBondContact O-SG 2.92Å; T2044-C2048 VanDerWaalsContact O-SG 3.41Å |
| 2045 | A | 54 | Low | 55.9 | Low | 46 Ų | 46 | 87.5 Ų | 87.5 | 38% | 0.38 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61 | -43.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | A2041 K2042 V2047 C2048 I2049 | A2041-A2045 WeakPolarHBondContact O-CB 3.41Å; A2041-A2045 PolarHBondContact O-N 3.23Å; K2042-A2045 PolarHBondContact O-N 3.01Å; A2045-V2047 VanDerWaalsContact C-N 3.33Å; A2045-V2047 PolarHBondContact O-N 3.16Å; A2045-C2048 PolarHBondContact O-N 3.02Å; A2045-I2049 HydrophobicContact CB-CD1 4.39Å; A2045-I2049 VanDerWaalsContact O-CB 3.32Å; A2045-I2049 WeakPolarHBondContact O-CB 3.32Å; A2045-I2049 WeakPolarHBondContact O-CD1 3.4Å; A2045-I2049 VanDerWaalsContact O-CG1 3.27Å; A2045-I2049 WeakPolarHBondContact O-CG1 3.28Å; A2045-I2049 PolarHBondContact O-N 3.04Å |
| 2046 | S | 57.1 | Low | 58.1 | Low | 75.8 Ų | 75.8 | 85.6 Ų | 85.6 | 53% | 0.53 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 176.1 | 178.9 | 0 | 0 | 0 | 0 | 112.4 | K2042 M2043 T2044 I2049 G2050 | K2042-S2046 VanDerWaalsContact O-CB 3.27Å; K2042-S2046 WeakPolarHBondContact O-CB 3.31Å; K2042-S2046 PolarHBondContact O-N 3.21Å; K2042-S2046 PolarHBondContact O-OG 3.19Å; M2043-S2046 PolarHBondContact O-N 3.16Å; M2043-S2046 PolarHBondContact O-OG 3.01Å; T2044-S2046 VanDerWaalsContact C-N 3.34Å; T2044-S2046 PolarHBondContact O-N 2.95Å; S2046-I2049 PolarHBondContact O-N 3.1Å; S2046-G2050 WeakPolarHBondContact O-CA 3.42Å; S2046-G2050 PolarHBondContact O-N 2.97Å |
| 2047 | V | 64.9 | Low | 60.4 | Low | 86 Ų | 86 | 87.3 Ų | 87.3 | 52% | 0.521 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.5 | -43.8 | 175.8 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | M2043 T2044 A2045 I2049 G2050 I2051 | M2043-V2047 VanDerWaalsContact O-CG2 3.31Å; M2043-V2047 WeakPolarHBondContact O-CG2 3.4Å; M2043-V2047 PolarHBondContact O-N 3.29Å; T2044-V2047 PolarHBondContact O-N 3.07Å; A2045-V2047 VanDerWaalsContact C-N 3.33Å; A2045-V2047 PolarHBondContact O-N 3.16Å; V2047-I2049 PolarHBondContact O-N 3.45Å; V2047-G2050 PolarHBondContact O-N 3Å; V2047-I2051 HydrophobicContact CG1-CD1 3.82Å; V2047-I2051 HydrophobicContact CG1-CG1 4.44Å; V2047-I2051 WeakPolarHBondContact O-CB 3.16Å; V2047-I2051 WeakPolarHBondContact O-CD1 3.24Å; V2047-I2051 VanDerWaalsContact O-CG1 3.28Å; V2047-I2051 WeakPolarHBondContact O-CG1 3.36Å; V2047-I2051 PolarHBondContact O-N 2.81Å |
| 2048 | C | 58.4 | Low | 62.5 | Low | 76.8 Ų | 76.8 | 83.8 Ų | 83.8 | 52% | 0.519 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 176.4 | -69.8 | 0 | 0 | 0 | 0 | 112.3 | T2044 A2045 G2050 I2051 V2052 | T2044-C2048 WeakPolarHBondContact O-CB 3.37Å; T2044-C2048 PolarHBondContact O-N 3.4Å; T2044-C2048 PolarHBondContact O-SG 2.92Å; T2044-C2048 VanDerWaalsContact O-SG 3.41Å; A2045-C2048 PolarHBondContact O-N 3.02Å; C2048-G2050 VanDerWaalsContact C-N 3.34Å; C2048-G2050 PolarHBondContact O-N 3.34Å; C2048-I2051 PolarHBondContact O-N 3.15Å; C2048-V2052 WeakPolarHBondContact O-CB 3.31Å; C2048-V2052 VanDerWaalsContact O-CG2 3.31Å; C2048-V2052 WeakPolarHBondContact O-CG2 3.18Å; C2048-V2052 PolarHBondContact O-N 3.21Å |
| 2049 | I | 69.9 | Low | 64 | Low | 102.2 Ų | 102.2 | 84.4 Ų | 84.4 | 52% | 0.524 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 175 | -68.8 | 164.7 | 0 | 0 | 0 | 110.3 | A2045 S2046 V2047 I2051 V2052 I2053 | A2045-I2049 HydrophobicContact CB-CD1 4.39Å; A2045-I2049 VanDerWaalsContact O-CB 3.32Å; A2045-I2049 WeakPolarHBondContact O-CB 3.32Å; A2045-I2049 WeakPolarHBondContact O-CD1 3.4Å; A2045-I2049 VanDerWaalsContact O-CG1 3.27Å; A2045-I2049 WeakPolarHBondContact O-CG1 3.28Å; A2045-I2049 PolarHBondContact O-N 3.04Å; S2046-I2049 PolarHBondContact O-N 3.1Å; V2047-I2049 PolarHBondContact O-N 3.45Å; I2049-I2051 VanDerWaalsContact C-N 3.34Å; I2049-I2051 PolarHBondContact O-N 3.04Å; I2049-V2052 PolarHBondContact O-N 3.1Å; I2049-I2053 HydrophobicContact CG2-CD1 3.71Å; I2049-I2053 HydrophobicContact CG2-CG1 4.34Å; I2049-I2053 VanDerWaalsContact O-CB 3.24Å; I2049-I2053 WeakPolarHBondContact O-CB 3.13Å; I2049-I2053 VanDerWaalsContact O-CG1 3.27Å; I2049-I2053 WeakPolarHBondContact O-CG1 3.33Å; I2049-I2053 PolarHBondContact O-N 3.06Å |
| 2050 | G | 69.5 | Low | 65.7 | Low | 38.2 Ų | 38.2 | 82.4 Ų | 82.4 | 39% | 0.394 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.7 | -40.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S2046 V2047 C2048 I2053 A2054 | S2046-G2050 WeakPolarHBondContact O-CA 3.42Å; S2046-G2050 PolarHBondContact O-N 2.97Å; V2047-G2050 PolarHBondContact O-N 3Å; C2048-G2050 VanDerWaalsContact C-N 3.34Å; C2048-G2050 PolarHBondContact O-N 3.34Å; G2050-I2053 PolarHBondContact O-N 3.32Å; G2050-A2054 VanDerWaalsContact O-CB 3.24Å; G2050-A2054 WeakPolarHBondContact O-CB 3.37Å; G2050-A2054 PolarHBondContact O-N 2.82Å |
| 2051 | I | 73.7 | Confident | 67.1 | Low | 91.4 Ų | 91.4 | 80.8 Ų | 80.8 | 47% | 0.469 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.6 | -42.7 | 175.3 | -70.1 | 165.4 | 0 | 0 | 0 | 111.1 | V2047 C2048 I2049 I2053 A2054 L2055 | V2047-I2051 HydrophobicContact CG1-CD1 3.82Å; V2047-I2051 HydrophobicContact CG1-CG1 4.44Å; V2047-I2051 WeakPolarHBondContact O-CB 3.16Å; V2047-I2051 WeakPolarHBondContact O-CD1 3.24Å; V2047-I2051 VanDerWaalsContact O-CG1 3.28Å; V2047-I2051 WeakPolarHBondContact O-CG1 3.36Å; V2047-I2051 PolarHBondContact O-N 2.81Å; C2048-I2051 PolarHBondContact O-N 3.15Å; I2049-I2051 VanDerWaalsContact C-N 3.34Å; I2049-I2051 PolarHBondContact O-N 3.04Å; I2051-I2053 VanDerWaalsContact C-N 3.35Å; I2051-I2053 PolarHBondContact O-N 3.02Å; I2051-A2054 PolarHBondContact O-N 3.09Å; I2051-L2055 HydrophobicContact CG2-CD1 3.8Å; I2051-L2055 HydrophobicContact CG2-CG 4.31Å; I2051-L2055 VanDerWaalsContact O-CB 3.29Å; I2051-L2055 WeakPolarHBondContact O-CB 3.29Å; I2051-L2055 VanDerWaalsContact O-CG 3.29Å; I2051-L2055 WeakPolarHBondContact O-CG 3.31Å; I2051-L2055 PolarHBondContact O-N 3.2Å |
| 2052 | V | 71.5 | Confident | 68.4 | Low | 87.4 Ų | 87.4 | 82.5 Ų | 82.5 | 53% | 0.53 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 176.8 | 171 | 0 | 0 | 0 | 0 | 111.3 | C2048 I2049 A2054 L2055 T2056 | C2048-V2052 WeakPolarHBondContact O-CB 3.31Å; C2048-V2052 VanDerWaalsContact O-CG2 3.31Å; C2048-V2052 WeakPolarHBondContact O-CG2 3.18Å; C2048-V2052 PolarHBondContact O-N 3.21Å; I2049-V2052 PolarHBondContact O-N 3.1Å; V2052-A2054 PolarHBondContact O-N 2.83Å; V2052-L2055 PolarHBondContact O-N 3.27Å; V2052-T2056 HydrophobicContact CG1-CG2 4.4Å; V2052-T2056 VanDerWaalsContact O-CB 3.28Å; V2052-T2056 WeakPolarHBondContact O-CB 3.37Å; V2052-T2056 VanDerWaalsContact O-CG2 3.3Å; V2052-T2056 WeakPolarHBondContact O-CG2 3.31Å; V2052-T2056 PolarHBondContact O-N 3.26Å; V2052-T2056 PolarHBondContact O-OG1 3.19Å |
| 2053 | I | 76 | Confident | 69.7 | Low | 90.2 Ų | 90.2 | 82.3 Ų | 82.3 | 46% | 0.463 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 174.3 | -68.8 | 170 | 0 | 0 | 0 | 110.7 | I2049 G2050 I2051 L2055 T2056 L2057 | I2049-I2053 HydrophobicContact CG2-CD1 3.71Å; I2049-I2053 HydrophobicContact CG2-CG1 4.34Å; I2049-I2053 VanDerWaalsContact O-CB 3.24Å; I2049-I2053 WeakPolarHBondContact O-CB 3.13Å; I2049-I2053 VanDerWaalsContact O-CG1 3.27Å; I2049-I2053 WeakPolarHBondContact O-CG1 3.33Å; I2049-I2053 PolarHBondContact O-N 3.06Å; G2050-I2053 PolarHBondContact O-N 3.32Å; I2051-I2053 VanDerWaalsContact C-N 3.35Å; I2051-I2053 PolarHBondContact O-N 3.02Å; I2053-L2055 PolarHBondContact O-N 2.9Å; I2053-T2056 WeakPolarHBondContact CA-OG1 3.39Å; I2053-T2056 PolarHBondContact O-OG1 3.14Å; I2053-T2056 VanDerWaalsContact O-OG1 3.07Å; I2053-L2057 HydrophobicContact CG2-CD1 3.85Å; I2053-L2057 HydrophobicContact CG2-CG 4.36Å; I2053-L2057 VanDerWaalsContact O-CB 3.24Å; I2053-L2057 WeakPolarHBondContact O-CB 3.33Å; I2053-L2057 VanDerWaalsContact O-CG 3.24Å; I2053-L2057 WeakPolarHBondContact O-CG 3.36Å; I2053-L2057 PolarHBondContact O-N 3.05Å |
| 2054 | A | 75.3 | Confident | 70.8 | Confident | 46.8 Ų | 46.8 | 82.5 Ų | 82.5 | 39% | 0.387 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | G2050 I2051 V2052 L2057 I2058 | G2050-A2054 VanDerWaalsContact O-CB 3.24Å; G2050-A2054 WeakPolarHBondContact O-CB 3.37Å; G2050-A2054 PolarHBondContact O-N 2.82Å; I2051-A2054 PolarHBondContact O-N 3.09Å; V2052-A2054 PolarHBondContact O-N 2.83Å; A2054-L2057 PolarHBondContact O-N 3Å; A2054-I2058 WeakPolarHBondContact O-CB 3.37Å; A2054-I2058 WeakPolarHBondContact O-CD1 3.3Å; A2054-I2058 VanDerWaalsContact O-CG1 3.24Å; A2054-I2058 WeakPolarHBondContact O-CG1 3.37Å; A2054-I2058 PolarHBondContact O-N 2.95Å |
| 2055 | L | 76.1 | Confident | 71.5 | Confident | 98.6 Ų | 98.6 | 84.9 Ų | 84.9 | 52% | 0.516 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.4 | -41.5 | 178.2 | -72.3 | 172.3 | 0 | 0 | 0 | 112.2 | I2051 V2052 I2053 L2057 I2058 V2059 | I2051-L2055 HydrophobicContact CG2-CD1 3.8Å; I2051-L2055 HydrophobicContact CG2-CG 4.31Å; I2051-L2055 VanDerWaalsContact O-CB 3.29Å; I2051-L2055 WeakPolarHBondContact O-CB 3.29Å; I2051-L2055 VanDerWaalsContact O-CG 3.29Å; I2051-L2055 WeakPolarHBondContact O-CG 3.31Å; I2051-L2055 PolarHBondContact O-N 3.2Å; V2052-L2055 PolarHBondContact O-N 3.27Å; I2053-L2055 PolarHBondContact O-N 2.9Å; L2055-L2057 PolarHBondContact O-N 3.24Å; L2055-I2058 PolarHBondContact O-N 3.11Å; L2055-V2059 VanDerWaalsContact O-CB 3.3Å; L2055-V2059 WeakPolarHBondContact O-CB 3.27Å; L2055-V2059 VanDerWaalsContact O-CG2 3.27Å; L2055-V2059 WeakPolarHBondContact O-CG2 3.21Å; L2055-V2059 PolarHBondContact O-N 2.97Å |
| 2056 | T | 74.9 | Confident | 72.2 | Confident | 74.4 Ų | 74.4 | 86.2 Ų | 86.2 | 46% | 0.456 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.9 | -37.1 | 175.3 | 51.1 | 0 | 0 | 0 | 0 | 112 | V2052 I2053 I2058 V2059 V2060 | V2052-T2056 HydrophobicContact CG1-CG2 4.4Å; V2052-T2056 VanDerWaalsContact O-CB 3.28Å; V2052-T2056 WeakPolarHBondContact O-CB 3.37Å; V2052-T2056 VanDerWaalsContact O-CG2 3.3Å; V2052-T2056 WeakPolarHBondContact O-CG2 3.31Å; V2052-T2056 PolarHBondContact O-N 3.26Å; V2052-T2056 PolarHBondContact O-OG1 3.19Å; I2053-T2056 WeakPolarHBondContact CA-OG1 3.39Å; I2053-T2056 PolarHBondContact O-OG1 3.14Å; I2053-T2056 VanDerWaalsContact O-OG1 3.07Å; T2056-I2058 PolarHBondContact O-N 3.38Å; T2056-V2059 PolarHBondContact O-N 3.04Å; T2056-V2060 WeakPolarHBondContact O-CA 3.36Å; T2056-V2060 VanDerWaalsContact O-CB 3.3Å; T2056-V2060 WeakPolarHBondContact O-CB 3.26Å; T2056-V2060 VanDerWaalsContact O-CG2 3.26Å; T2056-V2060 WeakPolarHBondContact O-CG2 3.25Å; T2056-V2060 PolarHBondContact O-N 3.1Å |
| 2057 | L | 80.2 | Confident | 72.4 | Confident | 103.4 Ų | 103.4 | 90.9 Ų | 90.9 | 54% | 0.541 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.4 | -38.2 | 171.2 | -73.6 | 172.5 | 0 | 0 | 0 | 112.2 | E1972 I2053 A2054 L2055 V2060 A2061 | E1972-L2057 WeakPolarHBondContact O-CD2 3.48Å; I2053-L2057 HydrophobicContact CG2-CD1 3.85Å; I2053-L2057 HydrophobicContact CG2-CG 4.36Å; I2053-L2057 VanDerWaalsContact O-CB 3.24Å; I2053-L2057 WeakPolarHBondContact O-CB 3.33Å; I2053-L2057 VanDerWaalsContact O-CG 3.24Å; I2053-L2057 WeakPolarHBondContact O-CG 3.36Å; I2053-L2057 PolarHBondContact O-N 3.05Å; A2054-L2057 PolarHBondContact O-N 3Å; L2055-L2057 PolarHBondContact O-N 3.24Å; L2057-V2060 PolarHBondContact O-N 3.11Å; L2057-A2061 WeakPolarHBondContact O-CA 3.44Å; L2057-A2061 VanDerWaalsContact O-CB 3.24Å; L2057-A2061 WeakPolarHBondContact O-CB 3.29Å; L2057-A2061 PolarHBondContact O-N 2.99Å |
| 2058 | I | 78.8 | Confident | 72.3 | Confident | 98.8 Ų | 98.8 | 92.4 Ų | 92.4 | 51% | 0.507 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.6 | -44.1 | 173.7 | -72.2 | 163.4 | 0 | 0 | 0 | 110.7 | A2054 L2055 T2056 A2061 T2062 | A2054-I2058 WeakPolarHBondContact O-CB 3.37Å; A2054-I2058 WeakPolarHBondContact O-CD1 3.3Å; A2054-I2058 VanDerWaalsContact O-CG1 3.24Å; A2054-I2058 WeakPolarHBondContact O-CG1 3.37Å; A2054-I2058 PolarHBondContact O-N 2.95Å; L2055-I2058 PolarHBondContact O-N 3.11Å; T2056-I2058 PolarHBondContact O-N 3.38Å; I2058-A2061 CarbonylContact O-C 3.16Å; I2058-A2061 PolarHBondContact O-N 3.03Å; I2058-T2062 HydrophobicContact CG2-CG2 4.46Å; I2058-T2062 VanDerWaalsContact O-CB 3.28Å; I2058-T2062 WeakPolarHBondContact O-CB 3.32Å; I2058-T2062 WeakPolarHBondContact O-CG2 3.44Å; I2058-T2062 PolarHBondContact O-N 2.99Å; I2058-T2062 PolarHBondContact O-OG1 2.89Å; I2058-T2062 VanDerWaalsContact O-OG1 3.04Å |
| 2059 | V | 76.5 | Confident | 72.1 | Confident | 79 Ų | 79 | 97.8 Ų | 97.8 | 48% | 0.479 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.6 | -42.4 | 177 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | L2055 T2056 A2061 T2062 L2063 | L2055-V2059 VanDerWaalsContact O-CB 3.3Å; L2055-V2059 WeakPolarHBondContact O-CB 3.27Å; L2055-V2059 VanDerWaalsContact O-CG2 3.27Å; L2055-V2059 WeakPolarHBondContact O-CG2 3.21Å; L2055-V2059 PolarHBondContact O-N 2.97Å; T2056-V2059 PolarHBondContact O-N 3.04Å; V2059-A2061 VanDerWaalsContact C-N 3.33Å; V2059-A2061 PolarHBondContact O-N 3.47Å; V2059-T2062 WeakPolarHBondContact CA-OG1 3.47Å; V2059-T2062 PolarHBondContact O-N 3.06Å; V2059-T2062 PolarHBondContact O-OG1 2.91Å; V2059-L2063 HydrophobicContact CG1-CD1 3.86Å; V2059-L2063 HydrophobicContact CG1-CG 4.32Å; V2059-L2063 WeakPolarHBondContact O-CB 3.34Å; V2059-L2063 VanDerWaalsContact O-CG 3.3Å; V2059-L2063 WeakPolarHBondContact O-CG 3.38Å; V2059-L2063 PolarHBondContact O-N 2.83Å |
| 2060 | V | 78 | Confident | 71.2 | Confident | 82.2 Ų | 82.2 | 97.2 Ų | 97.2 | 50% | 0.498 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.3 | -39.7 | 174.7 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | P1971 T2056 L2057 L2063 Y2064 | P1971-V2060 HydrophobicContact CB-CB 4.4Å; P1971-V2060 HydrophobicContact CB-CG1 3.98Å; P1971-V2060 HydrophobicContact CB-CG2 3.43Å; P1971-V2060 VanDerWaalsContact CB-CG2 3.43Å; T2056-V2060 WeakPolarHBondContact O-CA 3.36Å; T2056-V2060 VanDerWaalsContact O-CB 3.3Å; T2056-V2060 WeakPolarHBondContact O-CB 3.26Å; T2056-V2060 VanDerWaalsContact O-CG2 3.26Å; T2056-V2060 WeakPolarHBondContact O-CG2 3.25Å; T2056-V2060 PolarHBondContact O-N 3.1Å; L2057-V2060 PolarHBondContact O-N 3.11Å; V2060-L2063 PolarHBondContact O-N 2.92Å; V2060-Y2064 WeakPolarHBondContact O-CA 3.47Å; V2060-Y2064 VanDerWaalsContact O-CB 3.29Å; V2060-Y2064 WeakPolarHBondContact O-CB 3.38Å; V2060-Y2064 PolarHBondContact O-N 3.19Å |
| 2061 | A | 75.8 | Confident | 70.2 | Confident | 45.8 Ų | 45.8 | 99.7 Ų | 99.7 | 38% | 0.379 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | L2057 I2058 V2059 Y2064 F2065 | L2057-A2061 WeakPolarHBondContact O-CA 3.44Å; L2057-A2061 VanDerWaalsContact O-CB 3.24Å; L2057-A2061 WeakPolarHBondContact O-CB 3.29Å; L2057-A2061 PolarHBondContact O-N 2.99Å; I2058-A2061 CarbonylContact O-C 3.16Å; I2058-A2061 PolarHBondContact O-N 3.03Å; V2059-A2061 VanDerWaalsContact C-N 3.33Å; V2059-A2061 PolarHBondContact O-N 3.47Å; A2061-Y2064 CarbonylContact O-C 3.58Å; A2061-Y2064 PolarHBondContact O-N 3.19Å; A2061-F2065 WeakPolarHBondContact O-CB 3.41Å; A2061-F2065 VanDerWaalsContact O-CD2 3.29Å; A2061-F2065 WeakPolarHBondContact O-CD2 3.38Å; A2061-F2065 PolarHBondContact O-N 3.06Å |
| 2062 | T | 73.5 | Confident | 68.8 | Low | 76.2 Ų | 76.2 | 100.1 Ų | 100.1 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.9 | -42.8 | 176.6 | -18.2 | 0 | 0 | 0 | 0 | 111.2 | I2058 V2059 Y2064 F2065 V2066 | I2058-T2062 HydrophobicContact CG2-CG2 4.46Å; I2058-T2062 VanDerWaalsContact O-CB 3.28Å; I2058-T2062 WeakPolarHBondContact O-CB 3.32Å; I2058-T2062 WeakPolarHBondContact O-CG2 3.44Å; I2058-T2062 PolarHBondContact O-N 2.99Å; I2058-T2062 PolarHBondContact O-OG1 2.89Å; I2058-T2062 VanDerWaalsContact O-OG1 3.04Å; V2059-T2062 WeakPolarHBondContact CA-OG1 3.47Å; V2059-T2062 PolarHBondContact O-N 3.06Å; V2059-T2062 PolarHBondContact O-OG1 2.91Å; T2062-Y2064 VanDerWaalsContact C-N 3.32Å; T2062-Y2064 PolarHBondContact O-N 3.11Å; T2062-F2065 CarbonylContact O-C 3.5Å; T2062-F2065 PolarHBondContact O-N 3.08Å; T2062-V2066 HydrophobicContact CG2-CG2 4.46Å; T2062-V2066 VanDerWaalsContact O-CB 3.25Å; T2062-V2066 WeakPolarHBondContact O-CB 3.32Å; T2062-V2066 WeakPolarHBondContact O-CG2 3.31Å; T2062-V2066 PolarHBondContact O-N 3.17Å |
| 2063 | L | 72.3 | Confident | 67.3 | Low | 106.4 Ų | 106.4 | 98.6 Ų | 98.6 | 56% | 0.557 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63 | -37.7 | 171.6 | -73.2 | 171.4 | 0 | 0 | 0 | 111.7 | V2059 V2060 V2066 R2067 | V2059-L2063 HydrophobicContact CG1-CD1 3.86Å; V2059-L2063 HydrophobicContact CG1-CG 4.32Å; V2059-L2063 WeakPolarHBondContact O-CB 3.34Å; V2059-L2063 VanDerWaalsContact O-CG 3.3Å; V2059-L2063 WeakPolarHBondContact O-CG 3.38Å; V2059-L2063 PolarHBondContact O-N 2.83Å; V2060-L2063 PolarHBondContact O-N 2.92Å; L2063-V2066 PolarHBondContact O-N 2.94Å; L2063-R2067 WeakPolarHBondContact O-CA 3.08Å; L2063-R2067 VanDerWaalsContact O-CB 3.25Å; L2063-R2067 WeakPolarHBondContact O-CB 3.27Å; L2063-R2067 PolarHBondContact O-N 3.11Å |
| 2064 | Y | 76.4 | Confident | 65.4 | Low | 137.2 Ų | 137.2 | 104 Ų | 104 | 54% | 0.538 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67 | -42 | 173.2 | 179.8 | -100.8 | 0 | 0 | 0 | 111.6 | V2060 A2061 T2062 R2067 R2068 | V2060-Y2064 WeakPolarHBondContact O-CA 3.47Å; V2060-Y2064 VanDerWaalsContact O-CB 3.29Å; V2060-Y2064 WeakPolarHBondContact O-CB 3.38Å; V2060-Y2064 PolarHBondContact O-N 3.19Å; A2061-Y2064 CarbonylContact O-C 3.58Å; A2061-Y2064 PolarHBondContact O-N 3.19Å; T2062-Y2064 VanDerWaalsContact C-N 3.32Å; T2062-Y2064 PolarHBondContact O-N 3.11Å; Y2064-R2067 PolarHBondContact O-N 3.24Å; Y2064-R2068 WeakPolarHBondContact O-CA 3.3Å; Y2064-R2068 WeakPolarHBondContact O-CB 3.33Å; Y2064-R2068 PolarHBondContact O-N 2.85Å |
| 2065 | F | 69.2 | Low | 63.4 | Low | 140 Ų | 140 | 110 Ų | 110 | 61% | 0.614 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.7 | -39.5 | 175.1 | -97.8 | -78.7 | 0 | 0 | 0 | 112.5 | A2061 T2062 R2068 R2069 | A2061-F2065 WeakPolarHBondContact O-CB 3.41Å; A2061-F2065 VanDerWaalsContact O-CD2 3.29Å; A2061-F2065 WeakPolarHBondContact O-CD2 3.38Å; A2061-F2065 PolarHBondContact O-N 3.06Å; T2062-F2065 CarbonylContact O-C 3.5Å; T2062-F2065 PolarHBondContact O-N 3.08Å; F2065-R2068 PolarHBondContact O-N 3.13Å; F2065-R2069 WeakPolarHBondContact O-CA 3.33Å; F2065-R2069 VanDerWaalsContact O-CB 3.23Å; F2065-R2069 WeakPolarHBondContact O-CB 3.33Å; F2065-R2069 PolarHBondContact O-N 3.27Å |
| 2066 | V | 67.3 | Low | 61.4 | Low | 74 Ų | 74 | 109 Ų | 109 | 45% | 0.448 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67 | -45.2 | 174.3 | 169.7 | 0 | 0 | 0 | 0 | 110.4 | T2062 L2063 R2068 R2069 N2070 | T2062-V2066 HydrophobicContact CG2-CG2 4.46Å; T2062-V2066 VanDerWaalsContact O-CB 3.25Å; T2062-V2066 WeakPolarHBondContact O-CB 3.32Å; T2062-V2066 WeakPolarHBondContact O-CG2 3.31Å; T2062-V2066 PolarHBondContact O-N 3.17Å; L2063-V2066 PolarHBondContact O-N 2.94Å; V2066-R2068 VanDerWaalsContact C-N 3.33Å; V2066-R2068 PolarHBondContact O-N 3.04Å; V2066-R2069 PolarHBondContact O-N 3.29Å; V2066-N2070 VanDerWaalsContact O-CB 3.3Å; V2066-N2070 WeakPolarHBondContact O-CB 3.33Å; V2066-N2070 VanDerWaalsContact O-CG 3.27Å; V2066-N2070 PolarHBondContact O-N 3.16Å; V2066-N2070 PolarHBondContact O-ND2 2.93Å; V2066-N2070 PolarHBondContact O-OD1 2.84Å |
| 2067 | R | 61.4 | Low | 59.4 | Low | 173.2 Ų | 173.2 | 110.3 Ų | 110.3 | 65% | 0.654 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.5 | -38.2 | 175.3 | -166.7 | 171 | -176.3 | 144.5 | 0 | 111.4 | L1987 P1988 L2063 Y2064 R2069 N2070 L2071 | L1987-R2067 HydrophobicContact CB-CG 3.74Å; L1987-R2067 HydrophobicContact CD1-CB 4.28Å; L1987-R2067 HydrophobicContact CD1-CG 3.66Å; L1987-R2067 WeakPolarHBondContact CD1-O 3.29Å; L1987-R2067 HydrophobicContact CG-CG 4.4Å; L1987-R2067 PolarHBondContact O-NH2 3.43Å; P1988-R2067 PolarHBondContact O-NH1 2.97Å; P1988-R2067 PolarHBondContact O-NH2 2.84Å; L2063-R2067 WeakPolarHBondContact O-CA 3.08Å; L2063-R2067 VanDerWaalsContact O-CB 3.25Å; L2063-R2067 WeakPolarHBondContact O-CB 3.27Å; L2063-R2067 PolarHBondContact O-N 3.11Å; Y2064-R2067 PolarHBondContact O-N 3.24Å; R2067-R2069 PolarHBondContact O-N 3.4Å; R2067-N2070 CarbonylContact O-C 3.11Å; R2067-N2070 PolarHBondContact O-N 3.25Å; R2067-L2071 HydrophobicContact CG-CD1 4.25Å; R2067-L2071 WeakPolarHBondContact O-CB 3.36Å; R2067-L2071 WeakPolarHBondContact O-CD1 3.39Å; R2067-L2071 VanDerWaalsContact O-CG 3.24Å; R2067-L2071 WeakPolarHBondContact O-CG 3.25Å; R2067-L2071 PolarHBondContact O-N 3.05Å |
| 2068 | R | 62.7 | Low | 57.2 | Low | 117.8 Ų | 117.8 | 108.7 Ų | 108.7 | 45% | 0.445 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -71.1 | -37.4 | 174.9 | -171 | 173.2 | -179 | 179.2 | -0.6 | 112.2 | I1984 Y2064 F2065 V2066 N2070 L2071 L2072 | I1984-R2068 HydrophobicContact CD1-CG 3.86Å; Y2064-R2068 WeakPolarHBondContact O-CA 3.3Å; Y2064-R2068 WeakPolarHBondContact O-CB 3.33Å; Y2064-R2068 PolarHBondContact O-N 2.85Å; F2065-R2068 PolarHBondContact O-N 3.13Å; V2066-R2068 VanDerWaalsContact C-N 3.33Å; V2066-R2068 PolarHBondContact O-N 3.04Å; R2068-N2070 VanDerWaalsContact C-N 3.29Å; R2068-L2071 CarbonylContact O-C 3.51Å; R2068-L2071 WeakPolarHBondContact O-CB 3.07Å; R2068-L2071 PolarHBondContact O-N 3.11Å; R2068-L2072 HydrophobicContact CG-CD1 4.05Å; R2068-L2072 HydrophobicContact CG-CG 4.37Å; R2068-L2072 VanDerWaalsContact O-CB 3.29Å; R2068-L2072 WeakPolarHBondContact O-CB 3.33Å; R2068-L2072 WeakPolarHBondContact O-CD1 3.28Å; R2068-L2072 VanDerWaalsContact O-CG 3.29Å; R2068-L2072 WeakPolarHBondContact O-CG 3.31Å; R2068-L2072 PolarHBondContact O-N 3.07Å |
| 2069 | R | 54.8 | Low | 55 | Low | 191.6 Ų | 191.6 | 108.9 Ų | 108.9 | 72% | 0.723 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.9 | -38.3 | 173.7 | -167.7 | 170.6 | -174.5 | 164.3 | 0 | 111.1 | F2065 V2066 R2067 L2071 L2072 S2073 | F2065-R2069 WeakPolarHBondContact O-CA 3.33Å; F2065-R2069 VanDerWaalsContact O-CB 3.23Å; F2065-R2069 WeakPolarHBondContact O-CB 3.33Å; F2065-R2069 PolarHBondContact O-N 3.27Å; V2066-R2069 PolarHBondContact O-N 3.29Å; R2067-R2069 PolarHBondContact O-N 3.4Å; R2069-L2071 VanDerWaalsContact C-N 3.25Å; R2069-L2071 PolarHBondContact O-N 3.26Å; R2069-L2072 CarbonylContact O-C 3.16Å; R2069-L2072 PolarHBondContact O-N 3.11Å; R2069-L2072 VanDerWaalsContact O-N 3.16Å; R2069-S2073 WeakPolarHBondContact O-CB 3.39Å; R2069-S2073 PolarHBondContact O-N 3.07Å; R2069-S2073 PolarHBondContact O-OG 3.03Å; R2069-S2073 VanDerWaalsContact O-OG 3.11Å |
| 2070 | N | 50.6 | Low | 52.8 | Low | 87.8 Ų | 87.8 | 110.2 Ų | 110.2 | 47% | 0.47 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -72.9 | -23.9 | 173.2 | -68.8 | -8.8 | 0 | 0 | 0 | 113.2 | L1987 V2066 R2067 R2068 L2072 S2073 R2074 | L1987-N2070 HydrophobicContact CD1-CB 3.62Å; V2066-N2070 VanDerWaalsContact O-CB 3.3Å; V2066-N2070 WeakPolarHBondContact O-CB 3.33Å; V2066-N2070 VanDerWaalsContact O-CG 3.27Å; V2066-N2070 PolarHBondContact O-N 3.16Å; V2066-N2070 PolarHBondContact O-ND2 2.93Å; V2066-N2070 PolarHBondContact O-OD1 2.84Å; R2067-N2070 CarbonylContact O-C 3.11Å; R2067-N2070 PolarHBondContact O-N 3.25Å; R2068-N2070 VanDerWaalsContact C-N 3.29Å; N2070-L2072 VanDerWaalsContact C-N 3.33Å; N2070-S2073 VanDerWaalsContact CA-OG 3.32Å; N2070-S2073 WeakPolarHBondContact CA-OG 3.07Å; N2070-S2073 PolarHBondContact O-OG 3.16Å; N2070-R2074 VanDerWaalsContact O-CB 3.29Å; N2070-R2074 WeakPolarHBondContact O-CB 3.35Å; N2070-R2074 VanDerWaalsContact O-CD 3.24Å; N2070-R2074 WeakPolarHBondContact O-CD 3.39Å; N2070-R2074 VanDerWaalsContact O-CG 3.29Å; N2070-R2074 WeakPolarHBondContact O-CG 3.32Å; N2070-R2074 PolarHBondContact O-N 3.34Å; N2070-R2074 VanDerWaalsContact O-N 3.12Å |
| 2071 | L | 48.9 | Very low | 50.5 | Low | 91.4 Ų | 91.4 | 109.9 Ų | 109.9 | 48% | 0.479 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -82.1 | -27.9 | 170.6 | -80.2 | 164 | 0 | 0 | 0 | 113 | I1984 L1987 R2067 R2068 R2069 R2074 R2075 | I1984-L2071 HydrophobicContact CG2-CB 4.32Å; I1984-L2071 HydrophobicContact CG2-CD1 3.74Å; I1984-L2071 HydrophobicContact CG2-CD2 4.24Å; I1984-L2071 HydrophobicContact CG2-CG 4.29Å; L1987-L2071 HydrophobicContact CB-CD1 4.22Å; L1987-L2071 HydrophobicContact CB-CG 4.23Å; L1987-L2071 HydrophobicContact CD1-CB 4.49Å; L1987-L2071 HydrophobicContact CD1-CD1 4.2Å; L1987-L2071 HydrophobicContact CD1-CG 3.8Å; L1987-L2071 HydrophobicContact CG-CD1 4.27Å; L1987-L2071 HydrophobicContact CG-CD2 4.27Å; L1987-L2071 HydrophobicContact CG-CG 3.77Å; R2067-L2071 HydrophobicContact CG-CD1 4.25Å; R2067-L2071 WeakPolarHBondContact O-CB 3.36Å; R2067-L2071 WeakPolarHBondContact O-CD1 3.39Å; R2067-L2071 VanDerWaalsContact O-CG 3.24Å; R2067-L2071 WeakPolarHBondContact O-CG 3.25Å; R2067-L2071 PolarHBondContact O-N 3.05Å; R2068-L2071 CarbonylContact O-C 3.51Å; R2068-L2071 WeakPolarHBondContact O-CB 3.07Å; R2068-L2071 PolarHBondContact O-N 3.11Å; R2069-L2071 VanDerWaalsContact C-N 3.25Å; R2069-L2071 PolarHBondContact O-N 3.26Å; L2071-R2074 CarbonylContact O-C 3.35Å; L2071-R2075 WeakPolarHBondContact O-CB 3.07Å; L2071-R2075 WeakPolarHBondContact O-CG 3.29Å; L2071-R2075 PolarHBondContact O-N 3.31Å; L2071-R2075 VanDerWaalsContact O-N 3.1Å |
| 2072 | L | 44 | Very low | 48.4 | Very low | 100.8 Ų | 100.8 | 115.2 Ų | 115.2 | 53% | 0.528 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -83.3 | -34.3 | 174.6 | -72.2 | 168.8 | 0 | 0 | 0 | 112 | I1984 R2068 R2069 N2070 R2074 R2075 S2076 | I1984-L2072 HydrophobicContact CD1-CD1 4.32Å; I1984-L2072 HydrophobicContact CD1-CD2 3.96Å; I1984-L2072 HydrophobicContact CD1-CG 3.97Å; I1984-L2072 HydrophobicContact CG1-CD2 4.29Å; R2068-L2072 HydrophobicContact CG-CD1 4.05Å; R2068-L2072 HydrophobicContact CG-CG 4.37Å; R2068-L2072 VanDerWaalsContact O-CB 3.29Å; R2068-L2072 WeakPolarHBondContact O-CB 3.33Å; R2068-L2072 WeakPolarHBondContact O-CD1 3.28Å; R2068-L2072 VanDerWaalsContact O-CG 3.29Å; R2068-L2072 WeakPolarHBondContact O-CG 3.31Å; R2068-L2072 PolarHBondContact O-N 3.07Å; R2069-L2072 CarbonylContact O-C 3.16Å; R2069-L2072 PolarHBondContact O-N 3.11Å; R2069-L2072 VanDerWaalsContact O-N 3.16Å; N2070-L2072 VanDerWaalsContact C-N 3.33Å; L2072-R2074 VanDerWaalsContact C-N 3.29Å; L2072-R2074 PolarHBondContact O-N 3.27Å; L2072-R2075 CarbonylContact O-C 3.47Å; L2072-R2075 WeakPolarHBondContact O-CA 3.45Å; L2072-R2075 PolarHBondContact O-N 3.01Å; L2072-S2076 PolarHBondContact O-N 2.98Å; L2072-S2076 VanDerWaalsContact O-N 3.16Å; L2072-S2076 PolarHBondContact O-OG 2.88Å |
| 2073 | S | 41 | Very low | 46.3 | Very low | 55.4 Ų | 55.4 | 115.3 Ų | 115.3 | 39% | 0.387 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67.8 | -34.8 | 171.4 | 80.2 | 0 | 0 | 0 | 0 | 112 | R2069 N2070 R2075 S2076 V2077 | R2069-S2073 WeakPolarHBondContact O-CB 3.39Å; R2069-S2073 PolarHBondContact O-N 3.07Å; R2069-S2073 PolarHBondContact O-OG 3.03Å; R2069-S2073 VanDerWaalsContact O-OG 3.11Å; N2070-S2073 VanDerWaalsContact CA-OG 3.32Å; N2070-S2073 WeakPolarHBondContact CA-OG 3.07Å; N2070-S2073 PolarHBondContact O-OG 3.16Å; S2073-R2075 PolarHBondContact O-N 3.07Å; S2073-R2075 VanDerWaalsContact O-N 3.11Å; S2073-S2076 CarbonylContact O-C 3.08Å; S2073-S2076 PolarHBondContact O-N 2.87Å; S2073-S2076 PolarHBondContact O-OG 3.34Å; S2073-S2076 VanDerWaalsContact O-OG 3.13Å; S2073-V2077 WeakPolarHBondContact O-CB 3.33Å; S2073-V2077 WeakPolarHBondContact O-CG2 3.32Å; S2073-V2077 PolarHBondContact O-N 3.37Å |
| 2074 | R | 36 | Very low | 44.3 | Very low | 204.2 Ų | 204.2 | 113.2 Ų | 113.2 | 77% | 0.771 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -70.6 | 6.2 | 170.7 | -73.7 | -177.6 | 176.4 | -160.6 | -1.6 | 114.3 | N2070 L2071 L2072 S2078 | N2070-R2074 VanDerWaalsContact O-CB 3.29Å; N2070-R2074 WeakPolarHBondContact O-CB 3.35Å; N2070-R2074 VanDerWaalsContact O-CD 3.24Å; N2070-R2074 WeakPolarHBondContact O-CD 3.39Å; N2070-R2074 VanDerWaalsContact O-CG 3.29Å; N2070-R2074 WeakPolarHBondContact O-CG 3.32Å; N2070-R2074 PolarHBondContact O-N 3.34Å; N2070-R2074 VanDerWaalsContact O-N 3.12Å; L2071-R2074 CarbonylContact O-C 3.35Å; L2072-R2074 VanDerWaalsContact C-N 3.29Å; L2072-R2074 PolarHBondContact O-N 3.27Å; R2074-S2078 WeakPolarHBondContact O-CB 3.21Å; R2074-S2078 PolarHBondContact O-N 3.26Å; R2074-S2078 PolarHBondContact O-OG 2.68Å; R2074-S2078 VanDerWaalsContact O-OG 3.06Å |
| 2075 | R | 34.1 | Very low | 42 | Very low | 172 Ų | 172 | 109.4 Ų | 109.4 | 65% | 0.649 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -122.6 | 4.4 | 168.7 | -94.1 | -176 | 176.5 | 175.4 | 0.6 | 114.4 | D1982 L2071 L2072 S2073 S2078 N2079 | D1982-R2075 PolarHBondContact O-NH1 3.2Å; L2071-R2075 WeakPolarHBondContact O-CB 3.07Å; L2071-R2075 WeakPolarHBondContact O-CG 3.29Å; L2071-R2075 PolarHBondContact O-N 3.31Å; L2071-R2075 VanDerWaalsContact O-N 3.1Å; L2072-R2075 CarbonylContact O-C 3.47Å; L2072-R2075 WeakPolarHBondContact O-CA 3.45Å; L2072-R2075 PolarHBondContact O-N 3.01Å; S2073-R2075 PolarHBondContact O-N 3.07Å; S2073-R2075 VanDerWaalsContact O-N 3.11Å; R2075-S2078 WeakPolarHBondContact CA-OG 3.36Å; R2075-S2078 PolarHBondContact O-OG 3.18Å; R2075-N2079 VanDerWaalsContact O-CB 3.32Å; R2075-N2079 WeakPolarHBondContact O-CB 3.37Å; R2075-N2079 PolarHBondContact O-ND2 2.69Å; R2075-N2079 PolarHBondContact O-OD1 2.83Å |
| 2076 | S | 33.3 | Very low | 40.1 | Very low | 76.8 Ų | 76.8 | 109.5 Ų | 109.5 | 54% | 0.537 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -94.6 | -15.8 | 177.1 | 65.3 | 0 | 0 | 0 | 0 | 112.9 | L2072 S2073 S2078 N2079 E2080 | L2072-S2076 PolarHBondContact O-N 2.98Å; L2072-S2076 VanDerWaalsContact O-N 3.16Å; L2072-S2076 PolarHBondContact O-OG 2.88Å; S2073-S2076 CarbonylContact O-C 3.08Å; S2073-S2076 PolarHBondContact O-N 2.87Å; S2073-S2076 PolarHBondContact O-OG 3.34Å; S2073-S2076 VanDerWaalsContact O-OG 3.13Å; S2076-S2078 VanDerWaalsContact C-N 3.25Å; S2076-S2078 PolarHBondContact O-N 3.04Å; S2076-S2078 VanDerWaalsContact O-N 3.14Å; S2076-N2079 CarbonylContact O-C 3.5Å; S2076-N2079 WeakPolarHBondContact O-CA 3.29Å; S2076-N2079 PolarHBondContact O-N 2.67Å; S2076-E2080 WeakPolarHBondContact CB-OE2 3.31Å; S2076-E2080 WeakPolarHBondContact O-CG 3.22Å; S2076-E2080 PolarHBondContact O-N 2.81Å; S2076-E2080 VanDerWaalsContact O-OE2 3.11Å |
| 2077 | V | 33.5 | Very low | 38.3 | Very low | 101.4 Ų | 101.4 | 109.7 Ų | 109.7 | 62% | 0.615 | 54% | 0.54 | S | S | * | . | trans | -84.6 | 55 | 174.2 | 175.7 | 0 | 0 | 0 | 0 | 109.2 | S2073 E2080 S2081 | S2073-V2077 WeakPolarHBondContact O-CB 3.33Å; S2073-V2077 WeakPolarHBondContact O-CG2 3.32Å; S2073-V2077 PolarHBondContact O-N 3.37Å; V2077-E2080 PolarHBondContact N-OE2 2.78Å; V2077-S2081 PolarHBondContact O-OG 3.25Å | ||
| 2078 | S | 33 | Very low | 36.7 | Very low | 71.2 Ų | 71.2 | 106.8 Ų | 106.8 | 50% | 0.498 | 54% | 0.538 | S | S | . | . | trans | -85.2 | 42.3 | 163.3 | 65.1 | 0 | 0 | 0 | 0 | 114.2 | R2074 R2075 S2076 E2080 S2081 | R2074-S2078 WeakPolarHBondContact O-CB 3.21Å; R2074-S2078 PolarHBondContact O-N 3.26Å; R2074-S2078 PolarHBondContact O-OG 2.68Å; R2074-S2078 VanDerWaalsContact O-OG 3.06Å; R2075-S2078 WeakPolarHBondContact CA-OG 3.36Å; R2075-S2078 PolarHBondContact O-OG 3.18Å; S2076-S2078 VanDerWaalsContact C-N 3.25Å; S2076-S2078 PolarHBondContact O-N 3.04Å; S2076-S2078 VanDerWaalsContact O-N 3.14Å; S2078-E2080 PolarHBondContact O-N 3.23Å; S2078-E2080 PolarHBondContact OG-OE2 2.89Å; S2078-S2081 PolarHBondContact O-N 3.3Å; S2078-S2081 PolarHBondContact O-OG 3.47Å; S2078-S2081 VanDerWaalsContact O-OG 3.12Å | ||
| 2079 | N | 31.9 | Very low | 35 | Very low | 103 Ų | 103 | 103.7 Ų | 103.7 | 55% | 0.551 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -111.1 | -28.2 | 179.4 | -73.1 | -18.2 | 0 | 0 | 0 | 113.5 | R2075 S2076 S2081 R2082 T2083 R2511 | R2075-N2079 VanDerWaalsContact O-CB 3.32Å; R2075-N2079 WeakPolarHBondContact O-CB 3.37Å; R2075-N2079 PolarHBondContact O-ND2 2.69Å; R2075-N2079 PolarHBondContact O-OD1 2.83Å; S2076-N2079 CarbonylContact O-C 3.5Å; S2076-N2079 WeakPolarHBondContact O-CA 3.29Å; S2076-N2079 PolarHBondContact O-N 2.67Å; N2079-S2081 VanDerWaalsContact C-N 3.33Å; N2079-S2081 PolarHBondContact O-N 3.09Å; N2079-S2081 VanDerWaalsContact O-N 3.16Å; N2079-R2082 PolarHBondContact O-N 3.05Å; N2079-R2082 VanDerWaalsContact O-N 3.15Å; N2079-T2083 PolarHBondContact O-N 3.49Å; N2079-T2083 PolarHBondContact O-OG1 3.33Å; N2079-T2083 VanDerWaalsContact O-OG1 3.05Å; N2079-R2511 PolarHBondContact OD1-NH1 3.03Å; N2079-R2511 PolarHBondContact OD1-NH2 2.99Å |
| 2080 | E | 31.9 | Very low | 33.8 | Very low | 106.2 Ų | 106.2 | 100.8 Ų | 100.8 | 50% | 0.496 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -83.7 | -2.7 | 172 | -67.6 | 178 | 150.2 | 0 | 0 | 112.8 | K1801 S2076 V2077 S2078 R2082 T2083 S2084 | K1801-E2080 WeakPolarHBondContact CE-OE1 3.46Å; K1801-E2080 IonicContact NZ-OE1 3.14Å; K1801-E2080 PolarHBondContact NZ-OE1 3.11Å; S2076-E2080 WeakPolarHBondContact CB-OE2 3.31Å; S2076-E2080 WeakPolarHBondContact O-CG 3.22Å; S2076-E2080 PolarHBondContact O-N 2.81Å; S2076-E2080 VanDerWaalsContact O-OE2 3.11Å; V2077-E2080 PolarHBondContact N-OE2 2.78Å; S2078-E2080 PolarHBondContact O-N 3.23Å; S2078-E2080 PolarHBondContact OG-OE2 2.89Å; E2080-R2082 HydrophobicContact CB-CB 4.42Å; E2080-R2082 HydrophobicContact CB-CG 4.14Å; E2080-R2082 HydrophobicContact CG-CG 4.44Å; E2080-R2082 PolarHBondContact O-N 3.01Å; E2080-R2082 WeakPolarHBondContact OE1-CD 3.43Å; E2080-R2082 IonicContact OE1-CZ 3.69Å; E2080-R2082 IonicContact OE1-NE 2.73Å; E2080-R2082 IonicContact OE1-NH1 2.82Å; E2080-R2082 PolarHBondContact OE1-NH1 3.01Å; E2080-T2083 PolarHBondContact O-N 3.04Å; E2080-T2083 PolarHBondContact O-OG1 3.07Å; E2080-T2083 VanDerWaalsContact O-OG1 3.12Å; E2080-S2084 WeakPolarHBondContact O-CB 3.21Å; E2080-S2084 PolarHBondContact O-N 3.14Å; E2080-S2084 PolarHBondContact O-OG 3.16Å |
| 2081 | S | 29.9 | Very low | 32.8 | Very low | 74.8 Ų | 74.8 | 100.1 Ų | 100.1 | 52% | 0.523 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -91.4 | 27 | 170 | 50.3 | 0 | 0 | 0 | 0 | 110.9 | V2077 S2078 N2079 A2085 L2463 L2487 | V2077-S2081 PolarHBondContact O-OG 3.25Å; S2078-S2081 PolarHBondContact O-N 3.3Å; S2078-S2081 PolarHBondContact O-OG 3.47Å; S2078-S2081 VanDerWaalsContact O-OG 3.12Å; N2079-S2081 VanDerWaalsContact C-N 3.33Å; N2079-S2081 PolarHBondContact O-N 3.09Å; N2079-S2081 VanDerWaalsContact O-N 3.16Å; S2081-A2085 WeakPolarHBondContact O-CB 3.38Å; S2081-A2085 PolarHBondContact O-N 2.98Å; S2081-A2085 VanDerWaalsContact O-N 3.12Å; S2081-L2463 VanDerWaalsContact CB-CD1 3.41Å; S2081-L2487 VanDerWaalsContact C-CD1 3.42Å; S2081-L2487 WeakPolarHBondContact O-CD1 3.11Å; S2081-L2487 WeakPolarHBondContact OG-CD1 3.14Å |
| 2082 | R | 30.2 | Very low | 31.8 | Very low | 157 Ų | 157 | 104.7 Ų | 104.7 | 59% | 0.592 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -120.5 | 5.3 | 174.3 | -78.6 | -173.9 | 84.5 | 163.2 | -0.2 | 113.1 | N2079 E2080 Y2086 L2487 M2488 R2511 Y2512 E2535 | N2079-R2082 PolarHBondContact O-N 3.05Å; N2079-R2082 VanDerWaalsContact O-N 3.15Å; E2080-R2082 HydrophobicContact CB-CB 4.42Å; E2080-R2082 HydrophobicContact CB-CG 4.14Å; E2080-R2082 HydrophobicContact CG-CG 4.44Å; E2080-R2082 PolarHBondContact O-N 3.01Å; E2080-R2082 WeakPolarHBondContact OE1-CD 3.43Å; E2080-R2082 IonicContact OE1-CZ 3.69Å; E2080-R2082 IonicContact OE1-NE 2.73Å; E2080-R2082 IonicContact OE1-NH1 2.82Å; E2080-R2082 PolarHBondContact OE1-NH1 3.01Å; R2082-Y2086 WeakPolarHBondContact O-CB 3.37Å; R2082-Y2086 PolarHBondContact O-N 2.88Å; R2082-L2487 HydrophobicContact CG-CD1 4.17Å; R2082-M2488 WeakPolarHBondContact O-CE 3.32Å; R2082-R2511 PolarHBondContact NH2-O 2.95Å; R2082-Y2512 HydrophobicContact CB-CE2 4.15Å; R2082-Y2512 VanDerWaalsContact CD-OH 3.31Å; R2082-Y2512 WeakPolarHBondContact CD-OH 3.39Å; R2082-Y2512 HydrophobicContact CG-CD2 4.34Å; R2082-Y2512 HydrophobicContact CG-CE2 3.51Å; R2082-Y2512 VanDerWaalsContact NE-CE2 3.25Å; R2082-Y2512 PolarHBondContact NE-OH 3.24Å; R2082-Y2512 WeakPolarHBondContact O-CE2 3.48Å; R2082-E2535 VanDerWaalsContact CZ-CD 3.45Å; R2082-E2535 IonicContact CZ-OE1 3.89Å; R2082-E2535 VanDerWaalsContact CZ-OE1 3.31Å; R2082-E2535 IonicContact CZ-OE2 3.75Å; R2082-E2535 IonicContact NH1-OE1 2.71Å; R2082-E2535 PolarHBondContact NH1-OE1 2.8Å; R2082-E2535 IonicContact NH1-OE2 2.65Å; R2082-E2535 PolarHBondContact NH1-OE2 3Å; R2082-E2535 IonicContact NH2-OE1 3.72Å; R2082-E2535 PolarHBondContact NH2-OE1 3.33Å; R2082-E2535 IonicContact NH2-OE2 2.65Å; R2082-E2535 PolarHBondContact NH2-OE2 3.14Å |
| 2083 | T | 29.9 | Very low | 31 | Very low | 78.4 Ų | 78.4 | 102.4 Ų | 102.4 | 48% | 0.481 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -103.2 | 3.9 | -178.6 | 39 | 0 | 0 | 0 | 0 | 112.9 | R1823 N2079 E2080 A2085 Y2086 V2087 | R1823-T2083 HydrophobicContact CB-CG2 3.89Å; R1823-T2083 HydrophobicContact CG-CG2 3.99Å; N2079-T2083 PolarHBondContact O-N 3.49Å; N2079-T2083 PolarHBondContact O-OG1 3.33Å; N2079-T2083 VanDerWaalsContact O-OG1 3.05Å; E2080-T2083 PolarHBondContact O-N 3.04Å; E2080-T2083 PolarHBondContact O-OG1 3.07Å; E2080-T2083 VanDerWaalsContact O-OG1 3.12Å; T2083-A2085 VanDerWaalsContact C-N 3.31Å; T2083-A2085 PolarHBondContact O-N 2.88Å; T2083-Y2086 CarbonylContact O-C 3.27Å; T2083-Y2086 VanDerWaalsContact O-CA 3.31Å; T2083-Y2086 WeakPolarHBondContact O-CA 3.44Å; T2083-Y2086 WeakPolarHBondContact O-CB 3.16Å; T2083-Y2086 PolarHBondContact O-N 3.07Å; T2083-V2087 HydrophobicContact CG2-CG2 3.86Å; T2083-V2087 WeakPolarHBondContact O-CG2 3.31Å; T2083-V2087 PolarHBondContact O-N 3.26Å |
| 2084 | S | 29.2 | Very low | 30.4 | Very low | 62.6 Ų | 62.6 | 106.4 Ų | 106.4 | 44% | 0.438 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -96.9 | 3.2 | 175.8 | 170.5 | 0 | 0 | 0 | 0 | 112.4 | N1846 E2080 Y2086 V2087 N2088 H2466 R2490 | N1846-S2084 PolarHBondContact ND2-OG 2.62Å; E2080-S2084 WeakPolarHBondContact O-CB 3.21Å; E2080-S2084 PolarHBondContact O-N 3.14Å; E2080-S2084 PolarHBondContact O-OG 3.16Å; S2084-Y2086 VanDerWaalsContact C-N 3.31Å; S2084-Y2086 PolarHBondContact O-N 3.09Å; S2084-Y2086 VanDerWaalsContact O-N 3.16Å; S2084-V2087 PolarHBondContact O-N 2.93Å; S2084-N2088 VanDerWaalsContact O-CB 3.28Å; S2084-N2088 WeakPolarHBondContact O-CB 3.37Å; S2084-N2088 VanDerWaalsContact O-CG 3.28Å; S2084-N2088 PolarHBondContact O-N 3.32Å; S2084-N2088 PolarHBondContact O-OD1 2.77Å; S2084-H2466 PolarHBondContact O-CE1 3.43Å; S2084-H2466 VanDerWaalsContact O-CE1 3.29Å; S2084-H2466 PolarHBondContact OG-CE1 3.17Å; S2084-H2466 PolarHBondContact OG-NE2 2.71Å; S2084-R2490 PolarHBondContact O-NE 3.19Å; S2084-R2490 PolarHBondContact O-NH2 3.38Å |
| 2085 | A | 28.5 | Very low | 30.1 | Very low | 57 Ų | 57 | 103.2 Ų | 103.2 | 47% | 0.471 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -87.8 | 41.3 | 165 | 0 | 0 | 0 | 0 | 0 | 113.1 | P1945 S2081 T2083 A2089 M2488 Y2512 F2514 | P1945-A2085 CarbonylContact C-O 3.31Å; S2081-A2085 WeakPolarHBondContact O-CB 3.38Å; S2081-A2085 PolarHBondContact O-N 2.98Å; S2081-A2085 VanDerWaalsContact O-N 3.12Å; T2083-A2085 VanDerWaalsContact C-N 3.31Å; T2083-A2085 PolarHBondContact O-N 2.88Å; A2085-A2089 VanDerWaalsContact O-CB 3.29Å; A2085-A2089 WeakPolarHBondContact O-CB 3.49Å; A2085-A2089 PolarHBondContact O-N 2.88Å; A2085-A2089 VanDerWaalsContact O-N 3.07Å; A2085-M2488 HydrophobicContact CB-CE 3.53Å; A2085-M2488 HydrophobicContact CB-CG 4Å; A2085-M2488 HydrophobicContact CB-SD 3.72Å; A2085-M2488 PolarHBondContact N-SD 2.73Å; A2085-Y2512 HydrophobicContact CB-CD2 4.05Å; A2085-Y2512 HydrophobicContact CB-CE2 4.4Å; A2085-Y2512 HydrophobicContact CB-CG 4.33Å; A2085-F2514 HydrophobicContact CB-CE2 3.53Å; A2085-F2514 HydrophobicContact CB-CZ 3.78Å |
| 2086 | Y | 29.1 | Very low | 29.8 | Very low | 142.8 Ų | 142.8 | 101.2 Ų | 101.2 | 56% | 0.56 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -118.9 | 101.4 | 175.5 | -122.9 | -103.6 | 0 | 0 | 0 | 111.1 | T1824 A1825 N1846 V1847 G1848 R2082 T2083 S2084 N2088 A2089 | T1824-Y2086 PolarHBondContact O-OH 3.2Å; A1825-Y2086 WeakPolarHBondContact CA-OH 3.27Å; A1825-Y2086 PolarHBondContact O-OH 3.3Å; A1825-Y2086 VanDerWaalsContact O-OH 3.09Å; N1846-Y2086 HydrophobicContact CB-CD2 4.36Å; N1846-Y2086 HydrophobicContact CB-CE2 3.76Å; N1846-Y2086 PolarHBondContact O-OH 3.02Å; V1847-Y2086 VanDerWaalsContact C-CE1 3.42Å; V1847-Y2086 WeakPolarHBondContact CA-OH 3.4Å; V1847-Y2086 PolarHBondContact N-OH 3.38Å; G1848-Y2086 WeakPolarHBondContact CA-OH 3.34Å; G1848-Y2086 PolarHBondContact N-OH 3.46Å; R2082-Y2086 WeakPolarHBondContact O-CB 3.37Å; R2082-Y2086 PolarHBondContact O-N 2.88Å; T2083-Y2086 CarbonylContact O-C 3.27Å; T2083-Y2086 VanDerWaalsContact O-CA 3.31Å; T2083-Y2086 WeakPolarHBondContact O-CA 3.44Å; T2083-Y2086 WeakPolarHBondContact O-CB 3.16Å; T2083-Y2086 PolarHBondContact O-N 3.07Å; S2084-Y2086 VanDerWaalsContact C-N 3.31Å; S2084-Y2086 PolarHBondContact O-N 3.09Å; S2084-Y2086 VanDerWaalsContact O-N 3.16Å; Y2086-N2088 PolarHBondContact O-N 2.62Å; Y2086-A2089 VanDerWaalsContact O-CB 3.28Å; Y2086-A2089 WeakPolarHBondContact O-CB 3.45Å |
| 2087 | V | 29.4 | Very low | 29.5 | Very low | 78.6 Ų | 78.6 | 105.4 Ų | 105.4 | 48% | 0.476 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -90.8 | 57.2 | 176.6 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | T2083 S2084 A2089 Q2090 S2091 F2514 | T2083-V2087 HydrophobicContact CG2-CG2 3.86Å; T2083-V2087 WeakPolarHBondContact O-CG2 3.31Å; T2083-V2087 PolarHBondContact O-N 3.26Å; S2084-V2087 PolarHBondContact O-N 2.93Å; V2087-A2089 VanDerWaalsContact C-N 3.27Å; V2087-A2089 HydrophobicContact CG1-CB 3.55Å; V2087-A2089 PolarHBondContact O-N 2.93Å; V2087-A2089 VanDerWaalsContact O-N 3.09Å; V2087-Q2090 CarbonylContact O-C 3.59Å; V2087-Q2090 PolarHBondContact O-N 3.15Å; V2087-S2091 PolarHBondContact O-N 2.96Å; V2087-S2091 PolarHBondContact O-OG 3.14Å; V2087-F2514 HydrophobicContact CG2-CE1 3.92Å; V2087-F2514 HydrophobicContact CG2-CZ 4.47Å |
| 2088 | N | 27.8 | Very low | 29.4 | Very low | 112.6 Ų | 112.6 | 105.2 Ų | 105.2 | 60% | 0.602 | 56% | 0.561 | S | S | * | * | trans | -72.2 | 41.4 | 158.4 | -90.8 | 5.1 | 0 | 0 | 0 | 112.4 | P1945 S2084 Y2086 Q2090 S2091 Y2092 | P1945-N2088 HydrophobicContact CB-CB 3.73Å; P1945-N2088 HydrophobicContact CG-CB 3.9Å; S2084-N2088 VanDerWaalsContact O-CB 3.28Å; S2084-N2088 WeakPolarHBondContact O-CB 3.37Å; S2084-N2088 VanDerWaalsContact O-CG 3.28Å; S2084-N2088 PolarHBondContact O-N 3.32Å; S2084-N2088 PolarHBondContact O-OD1 2.77Å; Y2086-N2088 PolarHBondContact O-N 2.62Å; N2088-Q2090 VanDerWaalsContact C-N 3.26Å; N2088-Q2090 PolarHBondContact O-N 3.43Å; N2088-S2091 WeakPolarHBondContact CA-OG 3.15Å; N2088-S2091 PolarHBondContact O-OG 2.97Å; N2088-Y2092 HydrophobicContact CB-CD2 4.11Å; N2088-Y2092 HydrophobicContact CB-CE2 4.31Å; N2088-Y2092 WeakPolarHBondContact O-CB 3.45Å; N2088-Y2092 WeakPolarHBondContact O-CD2 3.28Å; N2088-Y2092 PolarHBondContact O-N 2.61Å | ||
| 2089 | A | 28.3 | Very low | 29.2 | Very low | 52.6 Ų | 52.6 | 105.7 Ų | 105.7 | 44% | 0.435 | 56% | 0.564 | S | S | . | * | trans | -110.9 | 109.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | P1945 F1946 A2085 Y2086 V2087 S2091 | P1945-A2089 WeakPolarHBondContact O-CA 3.34Å; P1945-A2089 WeakPolarHBondContact O-CB 3.4Å; F1946-A2089 HydrophobicContact CD1-CB 4Å; F1946-A2089 HydrophobicContact CD2-CB 4.2Å; F1946-A2089 HydrophobicContact CE1-CB 3.69Å; F1946-A2089 HydrophobicContact CE2-CB 3.89Å; F1946-A2089 WeakPolarHBondContact CE2-O 3.33Å; F1946-A2089 HydrophobicContact CG-CB 4.26Å; F1946-A2089 HydrophobicContact CZ-CB 3.64Å; F1946-A2089 WeakPolarHBondContact CZ-O 3.18Å; A2085-A2089 VanDerWaalsContact O-CB 3.29Å; A2085-A2089 WeakPolarHBondContact O-CB 3.49Å; A2085-A2089 PolarHBondContact O-N 2.88Å; A2085-A2089 VanDerWaalsContact O-N 3.07Å; Y2086-A2089 VanDerWaalsContact O-CB 3.28Å; Y2086-A2089 WeakPolarHBondContact O-CB 3.45Å; V2087-A2089 VanDerWaalsContact C-N 3.27Å; V2087-A2089 HydrophobicContact CG1-CB 3.55Å; V2087-A2089 PolarHBondContact O-N 2.93Å; V2087-A2089 VanDerWaalsContact O-N 3.09Å; A2089-S2091 PolarHBondContact O-N 2.99Å | ||
| 2090 | Q | 29.2 | Very low | 29 | Very low | 131 Ų | 131 | 106.7 Ų | 106.7 | 61% | 0.612 | 57% | 0.569 | S | S | * | * | trans | -80.1 | 93.8 | -178.1 | -63.7 | -179.5 | -7.6 | 0 | 0 | 113.3 | V2087 N2088 Y2092 | V2087-Q2090 CarbonylContact O-C 3.59Å; V2087-Q2090 PolarHBondContact O-N 3.15Å; N2088-Q2090 VanDerWaalsContact C-N 3.26Å; N2088-Q2090 PolarHBondContact O-N 3.43Å; Q2090-Y2092 PolarHBondContact O-N 2.83Å | ||
| 2091 | S | 28.9 | Very low | 28.9 | Very low | 72.6 Ų | 72.6 | 104.7 Ų | 104.7 | 51% | 0.508 | 57% | 0.571 | S | S | . | * | trans | -107.2 | 98.7 | 147 | 55.3 | 0 | 0 | 0 | 0 | 112.6 | T1852 V2087 N2088 A2089 G2093 H2094 | T1852-S2091 VanDerWaalsContact CB-OG 3.29Å; T1852-S2091 WeakPolarHBondContact CB-OG 3.43Å; T1852-S2091 WeakPolarHBondContact CG2-OG 3.4Å; V2087-S2091 PolarHBondContact O-N 2.96Å; V2087-S2091 PolarHBondContact O-OG 3.14Å; N2088-S2091 WeakPolarHBondContact CA-OG 3.15Å; N2088-S2091 PolarHBondContact O-OG 2.97Å; A2089-S2091 PolarHBondContact O-N 2.99Å; S2091-G2093 PolarHBondContact O-N 3.22Å; S2091-H2094 PolarHBondContact O-N 2.86Å | ||
| 2092 | Y | 28.2 | Very low | 28.8 | Very low | 187.2 Ų | 187.2 | 109.7 Ų | 109.7 | 73% | 0.734 | 58% | 0.578 | S | S | * | * | trans | -81.5 | 90.9 | 162.3 | -82.1 | -84.6 | 0 | 0 | 0 | 111.9 | N2088 Q2090 H2094 | N2088-Y2092 HydrophobicContact CB-CD2 4.11Å; N2088-Y2092 HydrophobicContact CB-CE2 4.31Å; N2088-Y2092 WeakPolarHBondContact O-CB 3.45Å; N2088-Y2092 WeakPolarHBondContact O-CD2 3.28Å; N2088-Y2092 PolarHBondContact O-N 2.61Å; Q2090-Y2092 PolarHBondContact O-N 2.83Å; Y2092-H2094 VanDerWaalsContact C-N 3.29Å | ||
| 2093 | G | 28.1 | Very low | 29.1 | Very low | 53.6 Ų | 53.6 | 106.9 Ų | 106.9 | 55% | 0.553 | 58% | 0.58 | S | S | * | * | trans | -159.9 | 70.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S2091 | S2091-G2093 PolarHBondContact O-N 3.22Š| ||
| 2094 | H | 28.2 | Very low | 29.1 | Very low | 139.4 Ų | 139.4 | 111.9 Ų | 111.9 | 65% | 0.645 | 60% | 0.598 | S | S | * | * | trans | -155.9 | 99.7 | 172.2 | -105.8 | -72.2 | 0 | 0 | 0 | 115.1 | M1828 H1850 S2091 Y2092 | M1828-H2094 WeakPolarHBondContact CE-CE1 3.22Å; M1828-H2094 WeakPolarHBondContact CE-NE2 3.45Å; H1850-H2094 AromaticContact CD2-CE1 3.21Å; H1850-H2094 PolarHBondContact CD2-CE1 3.3Å; H1850-H2094 AromaticContact CD2-NE2 3.79Å; H1850-H2094 AromaticContact CE1-CE1 3.69Å; H1850-H2094 AromaticContact CE1-ND1 3.94Å; H1850-H2094 AromaticContact CG-CE1 3.6Å; H1850-H2094 AromaticContact ND1-CE1 3.79Å; H1850-H2094 AromaticContact NE2-CE1 3.32Å; H1850-H2094 PolarHBondContact NE2-CE1 3.26Å; H1850-H2094 VanDerWaalsContact NE2-CE1 3.32Å; H1850-H2094 AromaticContact NE2-ND1 3.87Å; H1850-H2094 AromaticContact NE2-NE2 3.98Å; S2091-H2094 PolarHBondContact O-N 2.86Å; Y2092-H2094 VanDerWaalsContact C-N 3.29Å | ||
| 2095 | H | 29.3 | Very low | 29.1 | Very low | 137 Ų | 137 | 111.7 Ų | 111.7 | 63% | 0.634 | 61% | 0.606 | S | S | * | * | trans | -130.5 | 125.6 | 160.6 | -71.6 | -54 | 0 | 0 | 0 | 113.5 | E1855 | E1855-H2095 WeakPolarHBondContact OE1-CA 3.11Å; E1855-H2095 PolarHBondContact OE1-N 2.9Å | ||
| 2096 | N | 28 | Very low | 29.5 | Very low | 128.4 Ų | 128.4 | 114.6 Ų | 114.6 | 69% | 0.687 | 62% | 0.62 | S | S | * | * | trans | -152.9 | 110.2 | 177.6 | -100.3 | -29.3 | 0 | 0 | 0 | 114 | K1760 E1855 | K1760-N2096 PolarHBondContact NZ-O 2.83Å; K1760-N2096 PolarHBondContact NZ-OD1 2.87Å; E1855-N2096 WeakPolarHBondContact OE1-CA 3.24Å; E1855-N2096 PolarHBondContact OE1-OD1 3.03Å; E1855-N2096 VanDerWaalsContact OE2-CA 3.26Å; E1855-N2096 WeakPolarHBondContact OE2-CA 3.24Å | ||
| 2097 | Y | 27.5 | Very low | 29.6 | Very low | 165 Ų | 165 | 119.6 Ų | 119.6 | 65% | 0.647 | 64% | 0.638 | S | S | * | * | trans | -79.3 | 158.1 | 156.9 | -89.5 | -99.1 | 0 | 0 | 0 | 114.5 | K1760 D1782 S1784 H1785 D1806 S1808 Y1809 E1855 D1856 | K1760-Y2097 VanDerWaalsContact CB-OH 3.22Å; K1760-Y2097 WeakPolarHBondContact CB-OH 3.49Å; K1760-Y2097 HydrophobicContact CD-CE1 4.5Å; K1760-Y2097 HydrophobicContact CD-CE2 4.25Å; K1760-Y2097 WeakPolarHBondContact CD-OH 3.49Å; K1760-Y2097 WeakPolarHBondContact CG-OH 3.48Å; D1782-Y2097 PolarHBondContact OD1-OH 3.38Å; D1782-Y2097 PolarHBondContact OD2-OH 2.69Å; S1784-Y2097 VanDerWaalsContact C-OH 3.24Å; S1784-Y2097 WeakPolarHBondContact CB-OH 3.43Å; S1784-Y2097 PolarHBondContact O-OH 2.81Å; S1784-Y2097 WeakPolarHBondContact OG-CE2 3.43Å; S1784-Y2097 PolarHBondContact OG-OH 3.13Å; S1784-Y2097 VanDerWaalsContact OG-OH 3.06Å; H1785-Y2097 HydrophobicContact CB-CE1 3.88Å; H1785-Y2097 AromaticContact CD2-CD1 3.62Å; H1785-Y2097 AromaticContact CD2-CE1 3.26Å; H1785-Y2097 WeakPolarHBondContact CD2-CE1 3.4Å; H1785-Y2097 AromaticContact CE1-CD1 3.95Å; H1785-Y2097 AromaticContact CG-CD1 3.92Å; H1785-Y2097 AromaticContact CG-CE1 3.47Å; H1785-Y2097 VanDerWaalsContact CG-CE1 3.47Å; H1785-Y2097 AromaticContact NE2-CD1 3.66Å; H1785-Y2097 AromaticContact NE2-CE1 3.83Å; D1806-Y2097 WeakPolarHBondContact OD2-CD2 3.48Å; D1806-Y2097 WeakPolarHBondContact OD2-CE2 3.38Å; S1808-Y2097 WeakPolarHBondContact OG-CD1 3.47Å; Y1809-Y2097 AromaticContact CD2-CD1 3.92Å; Y1809-Y2097 HydrophobicContact CD2-CD1 3.92Å; E1855-Y2097 HydrophobicContact CB-CD2 3.53Å; E1855-Y2097 HydrophobicContact CB-CE2 3.63Å; E1855-Y2097 PolarHBondContact OE2-N 2.85Å; D1856-Y2097 WeakPolarHBondContact CA-OH 3.19Å; D1856-Y2097 PolarHBondContact OD1-OH 3.01Å; D1856-Y2097 VanDerWaalsContact OD2-CE2 3.26Å; D1856-Y2097 WeakPolarHBondContact OD2-CE2 3.13Å; D1856-Y2097 PolarHBondContact OD2-OH 2.82Å | ||
| 2098 | P | 30.6 | Very low | 29.5 | Very low | 98.6 Ų | 98.6 | 127.5 Ų | 127.5 | 64% | 0.64 | 66% | 0.659 | S | S | * | * | trans | -113.7 | 176.6 | -153 | 37.1 | -25.2 | 0 | 0 | 0 | 114.2 | H1785 Y1809 Q1830 | H1785-P2098 WeakPolarHBondContact NE2-CD 3.49Å; Y1809-P2098 HydrophobicContact CE1-CG 3.9Å; Y1809-P2098 HydrophobicContact CE2-CG 3.94Å; Y1809-P2098 WeakPolarHBondContact CE2-O 3.19Å; Y1809-P2098 PolarHBondContact OH-O 3.46Å; Q1830-P2098 PolarHBondContact OE1-O 2.86Å | ||
| 2099 | S | 28.6 | Very low | 29.9 | Very low | 81 Ų | 81 | 127.4 Ų | 127.4 | 57% | 0.566 | 67% | 0.665 | S | S | * | * | trans | 155.8 | 138.8 | 155.8 | 66.8 | 0 | 0 | 0 | 0 | 114.8 | Y1809 T1853 | Y1809-S2099 VanDerWaalsContact OH-C 3.29Å; Y1809-S2099 WeakPolarHBondContact OH-CA 3.37Å; Y1809-S2099 PolarHBondContact OH-N 3.26Å; Y1809-S2099 VanDerWaalsContact OH-N 3.09Å; T1853-S2099 VanDerWaalsContact CG2-C 3.49Å; T1853-S2099 WeakPolarHBondContact CG2-OG 3.38Å; T1853-S2099 WeakPolarHBondContact OG1-CA 3.41Å; T1853-S2099 WeakPolarHBondContact OG1-CB 3.32Å | ||
| 2100 | L | 27.8 | Very low | 29.9 | Very low | 125 Ų | 125 | 129.7 Ų | 129.7 | 65% | 0.654 | 68% | 0.678 | S | S | * | * | trans | -151.9 | 136.5 | 147.9 | -75.4 | 155.7 | 0 | 0 | 0 | 116 | Y1809 E1831 T1853 S1926 K1927 F2143 | Y1809-L2100 PolarHBondContact OH-N 3.05Å; Y1809-L2100 VanDerWaalsContact OH-N 3.11Å; E1831-L2100 HydrophobicContact CG-CB 3.49Å; E1831-L2100 VanDerWaalsContact CG-CB 3.49Å; E1831-L2100 WeakPolarHBondContact OE1-CB 3.24Å; E1831-L2100 WeakPolarHBondContact OE2-CB 3.39Å; T1853-L2100 WeakPolarHBondContact CB-O 3.23Å; T1853-L2100 PolarHBondContact OG1-N 3.16Å; T1853-L2100 PolarHBondContact OG1-O 3.07Å; S1926-L2100 CarbonylContact C-O 3.21Å; S1926-L2100 WeakPolarHBondContact CA-O 3.27Å; K1927-L2100 PolarHBondContact N-O 2.61Å; L2100-F2143 CarbonylContact C-O 3.5Å; L2100-F2143 VanDerWaalsContact CA-O 3.23Å; L2100-F2143 WeakPolarHBondContact CA-O 3.45Å; L2100-F2143 VanDerWaalsContact CD2-C 3.43Å; L2100-F2143 HydrophobicContact CD2-CB 3.97Å | ||
| 2101 | A | 29.5 | Very low | 29.9 | Very low | 63.6 Ų | 63.6 | 133.4 Ų | 133.4 | 53% | 0.526 | 69% | 0.686 | S | S | . | * | 167.8 | 165.2 | 124.6 | 0 | 0 | 0 | 0 | 0 | 116 | T1853 E1855 S1926 Q2142 F2143 D2144 | T1853-A2101 HydrophobicContact CG2-CB 3.93Å; E1855-A2101 HydrophobicContact CB-CB 3.64Å; E1855-A2101 HydrophobicContact CG-CB 3.98Å; E1855-A2101 VanDerWaalsContact O-CA 3.31Å; E1855-A2101 WeakPolarHBondContact O-CA 3.38Å; S1926-A2101 CarbonylContact C-O 3.19Å; S1926-A2101 CarbonylContact O-C 3.51Å; A2101-Q2142 PolarHBondContact O-NE2 3.36Å; A2101-F2143 WeakPolarHBondContact CA-O 3.29Å; A2101-F2143 PolarHBondContact N-O 3.47Å; A2101-D2144 HydrophobicContact CB-CB 4.43Å; A2101-D2144 VanDerWaalsContact CB-CG 3.41Å; A2101-D2144 VanDerWaalsContact CB-OD1 3.24Å; A2101-D2144 WeakPolarHBondContact CB-OD1 3.27Å; A2101-D2144 WeakPolarHBondContact CB-OD2 3.44Å | |||
| 2102 | R | 28.6 | Very low | 29.8 | Very low | 180 Ų | 180 | 136.2 Ų | 136.2 | 68% | 0.679 | 69% | 0.691 | S | S | * | * | trans | -142 | 166 | 174 | -81.9 | -174.8 | 177.4 | -170.2 | -0.5 | 116.3 | E1855 D1856 S1926 K1927 Q1928 P1929 E2104 Q2142 | E1855-R2102 CarbonylContact C-O 3.49Å; E1855-R2102 VanDerWaalsContact CB-C 3.42Å; E1855-R2102 PolarHBondContact O-N 2.94Å; D1856-R2102 WeakPolarHBondContact CA-O 3.43Å; D1856-R2102 PolarHBondContact N-O 2.99Å; D1856-R2102 WeakPolarHBondContact OD2-CB 3.24Å; D1856-R2102 PolarHBondContact OD2-N 2.96Å; S1926-R2102 CarbonylContact C-O 3.44Å; S1926-R2102 CarbonylContact O-C 3.56Å; S1926-R2102 WeakPolarHBondContact O-CA 3.46Å; S1926-R2102 PolarHBondContact O-N 3.19Å; K1927-R2102 VanDerWaalsContact C-CA 3.46Å; K1927-R2102 CarbonylContact C-O 3.48Å; K1927-R2102 VanDerWaalsContact CA-N 3.35Å; K1927-R2102 WeakPolarHBondContact CA-O 3.49Å; K1927-R2102 WeakPolarHBondContact CB-O 3.26Å; K1927-R2102 VanDerWaalsContact N-N 3.2Å; K1927-R2102 PolarHBondContact N-O 3.21Å; K1927-R2102 CarbonylContact O-C 3.46Å; K1927-R2102 VanDerWaalsContact O-CA 3.28Å; K1927-R2102 WeakPolarHBondContact O-CA 3.2Å; K1927-R2102 WeakPolarHBondContact O-CB 3.25Å; K1927-R2102 PolarHBondContact O-N 2.85Å; Q1928-R2102 WeakPolarHBondContact O-CB 3.31Å; Q1928-R2102 VanDerWaalsContact O-CD 3.26Å; Q1928-R2102 WeakPolarHBondContact O-CD 3.41Å; Q1928-R2102 WeakPolarHBondContact O-CG 3.27Å; P1929-R2102 PolarHBondContact O-NH1 3.29Å; P1929-R2102 PolarHBondContact O-NH2 3.47Å; R2102-E2104 VanDerWaalsContact C-N 3.28Å; R2102-E2104 PolarHBondContact O-N 3.22Å; R2102-Q2142 HydrophobicContact CB-CG 4.38Å; R2102-Q2142 HydrophobicContact CG-CG 4.36Å; R2102-Q2142 VanDerWaalsContact CZ-OE1 3.3Å; R2102-Q2142 VanDerWaalsContact NE-CD 3.29Å | ||
| 2103 | P | 35.7 | Very low | 29.9 | Very low | 97.6 Ų | 97.6 | 132 Ų | 132 | 63% | 0.634 | 69% | 0.688 | S | S | * | * | trans | -118.3 | 176.6 | -153.7 | 39.9 | -28.7 | 0 | 0 | 0 | 116.6 | E1855 Q1857 K1927 | E1855-P2103 HydrophobicContact CB-CB 4.05Å; E1855-P2103 HydrophobicContact CG-CB 4.28Å; E1855-P2103 WeakPolarHBondContact OE2-CD 3.39Å; Q1857-P2103 PolarHBondContact NE2-O 3.14Å; K1927-P2103 WeakPolarHBondContact O-CD 3.07Å | ||
| 2104 | E | 30.3 | Very low | 29.8 | Very low | 183.2 Ų | 183.2 | 135.5 Ų | 135.5 | 86% | 0.856 | 69% | 0.694 | S | S | * | * | trans | -175.3 | 156.5 | 151.5 | -101.3 | -173.8 | -136.1 | 0 | 0 | 113.6 | R2102 | R2102-E2104 VanDerWaalsContact C-N 3.28Å; R2102-E2104 PolarHBondContact O-N 3.22Å | ||
| 2105 | G | 29.8 | Very low | 29.8 | Very low | 58.4 Ų | 58.4 | 134.3 Ų | 134.3 | 60% | 0.602 | 70% | 0.696 | S | S | * | * | -159.8 | 161.3 | 120.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q1857 | Q1857-G2105 PolarHBondContact NE2-O 3.16Š| |||
| 2106 | P | 36.8 | Very low | 29.7 | Very low | 119.2 Ų | 119.2 | 133.3 Ų | 133.3 | 77% | 0.774 | 70% | 0.7 | S | S | * | * | trans | -118.2 | 154.9 | -136.7 | 38.3 | -29.9 | 0 | 0 | 0 | 116.6 | ||||
| 2107 | R | 30.1 | Very low | 29.7 | Very low | 247.4 Ų | 247.4 | 132.3 Ų | 132.3 | 93% | 0.934 | 70% | 0.699 | S | S | * | * | trans | -168.2 | 133.9 | 157.7 | -79.1 | 169.6 | -172.6 | -158.7 | 2.8 | 112.8 | ||||
| 2108 | R | 28.2 | Very low | 29.6 | Very low | 243.2 Ų | 243.2 | 133.4 Ų | 133.4 | 92% | 0.918 | 70% | 0.703 | S | S | * | * | trans | 70 | 158.4 | 136.7 | -84.8 | -169.5 | 177.6 | -167.4 | 0.7 | 115.7 | ||||
| 2109 | P | 35.9 | Very low | 29.4 | Very low | 111.8 Ų | 111.8 | 132.5 Ų | 132.5 | 73% | 0.726 | 70% | 0.704 | S | S | * | * | -129.8 | 176.8 | -113.3 | 41.5 | -28.3 | 0 | 0 | 0 | 115.9 | |||||
| 2110 | S | 27.8 | Very low | 29.3 | Very low | 101.4 Ų | 101.4 | 137.9 Ų | 137.9 | 71% | 0.709 | 71% | 0.712 | S | S | * | * | trans | 155 | 147.5 | 133.6 | 58.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 2111 | R | 29 | Very low | 29.4 | Very low | 208.4 Ų | 208.4 | 137.9 Ų | 137.9 | 79% | 0.786 | 71% | 0.713 | S | S | * | * | trans | 67.7 | 143.3 | 156.1 | -63.9 | 179.9 | -179 | -161.9 | -0 | 118.6 | S2137 | R2111-S2137 PolarHBondContact NE-OG 3.39Å; R2111-S2137 PolarHBondContact NH2-OG 2.92Å | ||
| 2112 | Q | 28 | Very low | 29.5 | Very low | 131.8 Ų | 131.8 | 139.5 Ų | 139.5 | 62% | 0.616 | 72% | 0.717 | S | S | * | * | cis | 178.2 | 146.3 | -1.4 | -156.4 | 162.7 | -32.6 | 0 | 0 | 111.9 | V1918 D2114 P2136 | V1918-Q2112 PolarHBondContact O-NE2 2.67Å; Q2112-D2114 HydrophobicContact CG-CB 4.46Å; Q2112-D2114 WeakPolarHBondContact CG-OD1 3.31Å; Q2112-D2114 PolarHBondContact NE2-OD1 3.08Å; Q2112-P2136 PolarHBondContact OE1-O 3.32Å | ||
| 2113 | C | 29 | Very low | 29.8 | Very low | 99 Ų | 99 | 135.5 Ų | 135.5 | 67% | 0.669 | 72% | 0.715 | S | S | * | * | trans | 56.2 | 140 | 166.1 | -61.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 2114 | D | 27.6 | Very low | 29.3 | Very low | 125.4 Ų | 125.4 | 136.3 Ų | 136.3 | 67% | 0.671 | 71% | 0.714 | S | S | * | * | cis | 146.6 | 136.1 | 39.9 | -99.3 | -6.7 | 0 | 0 | 0 | 114.3 | E1921 Q2112 T2116 | E1921-D2114 WeakPolarHBondContact CA-OD2 3.49Å; E1921-D2114 PolarHBondContact N-OD2 2.95Å; Q2112-D2114 HydrophobicContact CG-CB 4.46Å; Q2112-D2114 WeakPolarHBondContact CG-OD1 3.31Å; Q2112-D2114 PolarHBondContact NE2-OD1 3.08Å; D2114-T2116 PolarHBondContact O-N 3.01Å | ||
| 2115 | V | 27.1 | Very low | 29.1 | Very low | 115.2 Ų | 115.2 | 137.4 Ų | 137.4 | 70% | 0.698 | 71% | 0.71 | S | S | * | * | 87.1 | 129.3 | 123.2 | 167.9 | 0 | 0 | 0 | 0 | 117.6 | P1922 | P1922-V2115 VanDerWaalsContact CD-CG2 3.47Å; P1922-V2115 HydrophobicContact CG-CB 4.49Å; P1922-V2115 HydrophobicContact CG-CG1 3.92Å; P1922-V2115 HydrophobicContact CG-CG2 4.21Å | |||
| 2116 | T | 27.6 | Very low | 28.9 | Very low | 115.6 Ų | 115.6 | 141.2 Ų | 141.2 | 71% | 0.709 | 72% | 0.716 | S | S | * | * | trans | 123.3 | 144.6 | 137.1 | 39.5 | 0 | 0 | 0 | 0 | 118.8 | V1923 E1924 D2114 | V1923-T2116 WeakPolarHBondContact O-CB 3.37Å; E1924-T2116 WeakPolarHBondContact O-CB 3.21Å; D2114-T2116 PolarHBondContact O-N 3.01Å | ||
| 2117 | T | 27.3 | Very low | 28.4 | Very low | 106.6 Ų | 106.6 | 144.4 Ų | 144.4 | 65% | 0.654 | 71% | 0.714 | S | S | * | * | trans | 172 | 154.7 | 151.4 | 43.8 | 0 | 0 | 0 | 0 | 115.5 | V1923 E1924 T1925 | V1923-T2117 VanDerWaalsContact C-N 3.34Å; E1924-T2117 CarbonylContact C-O 3.23Å; E1924-T2117 WeakPolarHBondContact CA-O 3.27Å; T1925-T2117 VanDerWaalsContact CA-O 3.26Å; T1925-T2117 WeakPolarHBondContact CA-O 3.44Å; T1925-T2117 PolarHBondContact N-O 2.86Å | ||
| 2118 | Y | 26.8 | Very low | 28.1 | Very low | 188.8 Ų | 188.8 | 138.6 Ų | 138.6 | 74% | 0.74 | 70% | 0.701 | S | S | * | * | trans | 71.1 | 119.7 | 164 | -75.7 | -79.8 | 0 | 0 | 0 | 117.9 | V1923 E1924 T1925 S1926 | V1923-Y2118 HydrophobicContact CB-CE2 4.3Å; V1923-Y2118 HydrophobicContact CG1-CD2 3.84Å; V1923-Y2118 HydrophobicContact CG1-CE2 3.58Å; V1923-Y2118 HydrophobicContact CG2-CD2 4.46Å; V1923-Y2118 HydrophobicContact CG2-CE2 3.91Å; E1924-Y2118 HydrophobicContact CG-CD2 4.46Å; E1924-Y2118 HydrophobicContact CG-CG 4.31Å; E1924-Y2118 WeakPolarHBondContact OE1-CD1 3.2Å; T1925-Y2118 CarbonylContact C-O 3.58Å; S1926-Y2118 PolarHBondContact N-O 3.23Å | ||
| 2119 | A | 26.4 | Very low | 28.1 | Very low | 80 Ų | 80 | 131.2 Ų | 131.2 | 66% | 0.661 | 69% | 0.685 | S | S | * | * | 76.2 | 116 | 58 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 2120 | R | 27.2 | Very low | 27.7 | Very low | 195 Ų | 195 | 131.4 Ų | 131.4 | 74% | 0.736 | 68% | 0.684 | S | S | * | * | trans | 121.8 | 110 | 143.9 | -71.4 | -174.7 | -169.4 | -172.9 | 3.3 | 116.6 | T1896 Q1897 Q1928 | T1896-R2120 HydrophobicContact CG2-CB 4.5Å; Q1897-R2120 HydrophobicContact CG-CB 4.48Å; Q1897-R2120 PolarHBondContact N-O 2.99Å; Q1928-R2120 PolarHBondContact OE1-O 3.04Å | ||
| 2121 | N | 27.8 | Very low | 27.5 | Very low | 125.2 Ų | 125.2 | 131.3 Ų | 131.3 | 67% | 0.67 | 68% | 0.682 | S | S | * | * | 85.4 | 149.3 | 120.3 | -74.3 | 12.3 | 0 | 0 | 0 | 119.8 | T1898 Q1928 | T1898-N2121 HydrophobicContact CG2-CB 3.54Å; T1898-N2121 VanDerWaalsContact N-C 3.34Å; T1898-N2121 VanDerWaalsContact N-CA 3.29Å; T1898-N2121 PolarHBondContact N-O 2.76Å; T1898-N2121 VanDerWaalsContact N-O 3.09Å; T1898-N2121 WeakPolarHBondContact OG1-CB 3.06Å; T1898-N2121 VanDerWaalsContact OG1-CG 3.24Å; T1898-N2121 PolarHBondContact OG1-ND2 2.8Å; Q1928-N2121 PolarHBondContact OE1-O 3.49Å | |||
| 2122 | P | 33.6 | Very low | 27.3 | Very low | 96 Ų | 96 | 131.5 Ų | 131.5 | 62% | 0.623 | 68% | 0.684 | S | S | * | * | trans | -99.9 | -170.2 | -167.9 | 42.5 | -38 | 0 | 0 | 0 | 114.1 | T1898 I1900 | T1898-P2122 VanDerWaalsContact CG2-CD 3.45Å; T1898-P2122 HydrophobicContact CG2-CG 3.87Å; T1898-P2122 VanDerWaalsContact CG2-N 3.27Å; T1898-P2122 WeakPolarHBondContact CG2-O 3.35Å; I1900-P2122 HydrophobicContact CD1-CG 4.38Å | ||
| 2123 | P | 33.2 | Very low | 27.2 | Very low | 95.6 Ų | 95.6 | 129.8 Ų | 129.8 | 62% | 0.621 | 69% | 0.687 | S | S | * | * | cis | -135.2 | 158 | 17.9 | 39.1 | -22.3 | 0 | 0 | 0 | 115.3 | T1961 | T1961-P2123 WeakPolarHBondContact CG2-O 3.33Å; T1961-P2123 PolarHBondContact OG1-O 3.13Å | ||
| 2124 | N | 25.4 | Very low | 27.1 | Very low | 115.8 Ų | 115.8 | 129.6 Ų | 129.6 | 62% | 0.619 | 69% | 0.687 | S | S | * | * | trans | -151.5 | 148.7 | 152.7 | -74 | -24.5 | 0 | 0 | 0 | 115.1 | T1933 S1936 V1938 | T1933-N2124 WeakPolarHBondContact CB-OD1 3.36Å; T1933-N2124 WeakPolarHBondContact CG2-ND2 3.44Å; T1933-N2124 VanDerWaalsContact CG2-OD1 3.24Å; T1933-N2124 WeakPolarHBondContact CG2-OD1 3.34Å; T1933-N2124 VanDerWaalsContact OG1-CG 3.25Å; T1933-N2124 PolarHBondContact OG1-ND2 2.81Å; T1933-N2124 PolarHBondContact OG1-OD1 3.28Å; S1936-N2124 PolarHBondContact O-ND2 3.42Å; V1938-N2124 WeakPolarHBondContact CG2-ND2 3.3Å; V1938-N2124 WeakPolarHBondContact CG2-OD1 3.48Å | ||
| 2125 | W | 27.3 | Very low | 27.1 | Very low | 205.2 Ų | 205.2 | 129.5 Ų | 129.5 | 78% | 0.777 | 69% | 0.691 | S | S | * | * | trans | 108.2 | 137.8 | 158.7 | -64.9 | 6.2 | 0 | 0 | 0 | 114.6 | T1689 I1939 | T1689-W2125 HydrophobicContact CG2-CZ3 4Å; I1939-W2125 HydrophobicContact CB-CZ2 4.3Å; I1939-W2125 HydrophobicContact CD1-CH2 3.96Å; I1939-W2125 HydrophobicContact CD1-CZ2 4.09Å; I1939-W2125 HydrophobicContact CG1-CZ2 4.43Å | ||
| 2126 | L | 24.3 | Very low | 27.3 | Very low | 138.6 Ų | 138.6 | 128.9 Ų | 128.9 | 73% | 0.726 | 69% | 0.689 | S | S | * | * | trans | -140.2 | 131.9 | 146.3 | -134.4 | 81.1 | 0 | 0 | 0 | 110.7 | D2128 | L2126-D2128 PolarHBondContact O-N 2.83Š| ||
| 2127 | Y | 26.2 | Very low | 27.3 | Very low | 186.6 Ų | 186.6 | 128 Ų | 128 | 73% | 0.732 | 69% | 0.687 | S | S | * | * | trans | 37.1 | 113.7 | 166.6 | -89.9 | -79.4 | 0 | 0 | 0 | 115.6 | ||||
| 2128 | D | 24.7 | Very low | 27.4 | Very low | 124.4 Ų | 124.4 | 126.7 Ų | 126.7 | 67% | 0.665 | 69% | 0.688 | S | S | * | * | trans | -134.2 | 155.2 | 135.3 | -122.9 | 24.9 | 0 | 0 | 0 | 111.6 | A1956 Y1957 A1958 L2126 | A1956-D2128 WeakPolarHBondContact O-CB 3.22Å; Y1957-D2128 HydrophobicContact CD1-CB 3.5Å; Y1957-D2128 VanDerWaalsContact CD1-CB 3.5Å; Y1957-D2128 VanDerWaalsContact CD1-OD1 3.26Å; Y1957-D2128 WeakPolarHBondContact CD1-OD1 3.37Å; Y1957-D2128 HydrophobicContact CD2-CB 4.45Å; Y1957-D2128 HydrophobicContact CE1-CB 3.8Å; Y1957-D2128 HydrophobicContact CG-CB 3.87Å; A1958-D2128 VanDerWaalsContact CA-OD1 3.26Å; A1958-D2128 WeakPolarHBondContact CA-OD1 3.15Å; A1958-D2128 PolarHBondContact N-OD1 3.13Å; A1958-D2128 PolarHBondContact N-OD2 2.96Å; L2126-D2128 PolarHBondContact O-N 2.83Å | ||
| 2129 | P | 28.2 | Very low | 27.4 | Very low | 89.4 Ų | 89.4 | 126.1 Ų | 126.1 | 58% | 0.581 | 69% | 0.689 | S | S | * | * | trans | -107.7 | -178.8 | -154.9 | 29.3 | -15.7 | 0 | 0 | 0 | 113.8 | V1954 E1955 A1956 C2131 | V1954-P2129 HydrophobicContact CB-CB 4.03Å; V1954-P2129 HydrophobicContact CG1-CB 3.36Å; E1955-P2129 WeakPolarHBondContact CG-O 3.48Å; A1956-P2129 VanDerWaalsContact N-CD 3.28Å; A1956-P2129 WeakPolarHBondContact O-CD 3.25Å; P2129-C2131 PolarHBondContact O-N 2.87Å | ||
| 2130 | V | 27.1 | Very low | 27.4 | Very low | 116.4 Ų | 116.4 | 127.8 Ų | 127.8 | 71% | 0.705 | 69% | 0.687 | S | S | * | * | trans | 157.9 | 132.8 | 164.2 | 172.9 | 0 | 0 | 0 | 0 | 114.8 | V1954 Y2132 | V1954-V2130 VanDerWaalsContact CG1-O 3.27Å; V1954-V2130 WeakPolarHBondContact CG1-O 3.34Å; V2130-Y2132 HydrophobicContact CG1-CD2 3.85Å; V2130-Y2132 HydrophobicContact CG1-CE2 3.9Å; V2130-Y2132 VanDerWaalsContact CG1-CE2 3.44Å; V2130-Y2132 HydrophobicContact CG1-CG 4.13Å; V2130-Y2132 PolarHBondContact O-N 2.98Å; V2130-Y2132 VanDerWaalsContact O-N 3.09Å | ||
| 2131 | C | 23.2 | Very low | 27.4 | Very low | 97.4 Ų | 97.4 | 125.5 Ų | 125.5 | 66% | 0.658 | 69% | 0.685 | S | S | * | * | trans | -76.3 | 140.1 | 172.9 | -77.8 | 0 | 0 | 0 | 0 | 114.7 | E1955 P2129 | E1955-C2131 HydrophobicContact CG-CB 4.37Å; E1955-C2131 WeakPolarHBondContact OE1-CB 3.25Å; E1955-C2131 WeakPolarHBondContact OE2-CA 3.19Å; E1955-C2131 WeakPolarHBondContact OE2-CB 3.44Å; E1955-C2131 PolarHBondContact OE2-SG 3.2Å; P2129-C2131 PolarHBondContact O-N 2.87Å | ||
| 2132 | Y | 25.3 | Very low | 27.3 | Very low | 213 Ų | 213 | 125.4 Ų | 125.4 | 84% | 0.835 | 68% | 0.68 | S | S | * | * | trans | 176.8 | 117.4 | 141 | -85.1 | -76.3 | 0 | 0 | 0 | 115.4 | V2130 S2134 | V2130-Y2132 HydrophobicContact CG1-CD2 3.85Å; V2130-Y2132 HydrophobicContact CG1-CE2 3.9Å; V2130-Y2132 VanDerWaalsContact CG1-CE2 3.44Å; V2130-Y2132 HydrophobicContact CG1-CG 4.13Å; V2130-Y2132 PolarHBondContact O-N 2.98Å; V2130-Y2132 VanDerWaalsContact O-N 3.09Å; Y2132-S2134 PolarHBondContact O-N 3.42Å | ||
| 2133 | S | 25.1 | Very low | 26.9 | Very low | 96.8 Ų | 96.8 | 128.4 Ų | 128.4 | 68% | 0.677 | 68% | 0.684 | S | S | * | * | trans | -30 | 135.1 | 140.6 | 53 | 0 | 0 | 0 | 0 | 116.3 | T2135 | S2133-T2135 PolarHBondContact O-N 2.97Å; S2133-T2135 VanDerWaalsContact O-N 3.1Å | ||
| 2134 | S | 26.9 | Very low | 26.6 | Very low | 94.2 Ų | 94.2 | 129.1 Ų | 129.1 | 66% | 0.659 | 68% | 0.682 | S | S | * | * | trans | -26.5 | 115.6 | 155.8 | 53.5 | 0 | 0 | 0 | 0 | 116.9 | Y2132 P2136 | Y2132-S2134 PolarHBondContact O-N 3.42Å; S2134-P2136 WeakPolarHBondContact O-CD 3.3Å | ||
| 2135 | T | 29.1 | Very low | 26.6 | Very low | 124.2 Ų | 124.2 | 130.1 Ų | 130.1 | 76% | 0.762 | 69% | 0.687 | S | S | * | * | trans | -2.3 | 146.3 | 135.2 | 51.5 | 0 | 0 | 0 | 0 | 116.3 | S2133 | S2133-T2135 PolarHBondContact O-N 2.97Å; S2133-T2135 VanDerWaalsContact O-N 3.1Å | ||
| 2136 | P | 30.9 | Very low | 26.6 | Very low | 101.4 Ų | 101.4 | 129.6 Ų | 129.6 | 66% | 0.658 | 69% | 0.687 | S | S | * | * | trans | -123 | 171.3 | -152.6 | 33 | -15.9 | 0 | 0 | 0 | 113.9 | Q2112 S2134 | Q2112-P2136 PolarHBondContact OE1-O 3.32Å; S2134-P2136 WeakPolarHBondContact O-CD 3.3Å | ||
| 2137 | S | 27.6 | Very low | 26.7 | Very low | 96.4 Ų | 96.4 | 130.3 Ų | 130.3 | 67% | 0.674 | 69% | 0.686 | S | S | * | * | trans | 51.6 | 136.1 | 161.8 | 66.2 | 0 | 0 | 0 | 0 | 117.9 | V1918 R2111 | V1918-S2137 PolarHBondContact N-O 3.21Å; R2111-S2137 PolarHBondContact NE-OG 3.39Å; R2111-S2137 PolarHBondContact NH2-OG 2.92Å | ||
| 2138 | A | 28.7 | Very low | 26.7 | Very low | 80.8 Ų | 80.8 | 129 Ų | 129 | 67% | 0.668 | 69% | 0.689 | S | S | * | * | cis | -156.8 | 144.9 | 47 | 0 | 0 | 0 | 0 | 0 | 115.2 | G1916 I1917 | G1916-A2138 CarbonylContact O-C 3.12Å; G1916-A2138 WeakPolarHBondContact O-CA 3.42Å; I1917-A2138 VanDerWaalsContact N-CB 3.35Å | ||
| 2139 | F | 27.3 | Very low | 26.9 | Very low | 174.8 Ų | 174.8 | 127.9 Ų | 127.9 | 77% | 0.767 | 69% | 0.691 | S | S | * | * | trans | -179.8 | 118.7 | 145 | -114.9 | -88.3 | 0 | 0 | 0 | 113.9 | P1914 P1915 G1916 | P1914-F2139 VanDerWaalsContact CA-CE1 3.44Å; P1914-F2139 HydrophobicContact CB-CE1 3.63Å; P1914-F2139 HydrophobicContact CB-CZ 3.83Å; P1915-F2139 HydrophobicContact CB-CD1 4.36Å; P1915-F2139 HydrophobicContact CB-CD2 3.89Å; P1915-F2139 HydrophobicContact CB-CE1 3.97Å; P1915-F2139 HydrophobicContact CB-CE2 3.4Å; P1915-F2139 VanDerWaalsContact CB-CE2 3.4Å; P1915-F2139 HydrophobicContact CB-CG 4.35Å; P1915-F2139 HydrophobicContact CB-CZ 3.46Å; P1915-F2139 VanDerWaalsContact CB-CZ 3.46Å; G1916-F2139 PolarHBondContact O-N 3.27Å | ||
| 2140 | D | 26.8 | Very low | 27 | Very low | 115.8 Ų | 115.8 | 130.8 Ų | 130.8 | 62% | 0.619 | 70% | 0.701 | S | S | * | * | trans | 57.5 | 130.5 | 153.3 | -82.9 | -16.2 | 0 | 0 | 0 | 120 | ||||
| 2141 | Q | 27.4 | Very low | 27.3 | Very low | 146.6 Ų | 146.6 | 130.2 Ų | 130.2 | 69% | 0.685 | 70% | 0.7 | S | S | * | * | 101 | 134.3 | 111.3 | -78.8 | 178.3 | 32.2 | 0 | 0 | 113.9 | |||||
| 2142 | Q | 25.6 | Very low | 27.7 | Very low | 123 Ų | 123 | 131.3 Ų | 131.3 | 58% | 0.575 | 70% | 0.704 | S | S | * | * | 153.6 | 139 | 58.4 | -138.2 | 143.8 | 12.3 | 0 | 0 | 114.9 | A2101 R2102 | A2101-Q2142 PolarHBondContact O-NE2 3.36Å; R2102-Q2142 HydrophobicContact CB-CG 4.38Å; R2102-Q2142 HydrophobicContact CG-CG 4.36Å; R2102-Q2142 VanDerWaalsContact CZ-OE1 3.3Å; R2102-Q2142 VanDerWaalsContact NE-CD 3.29Å | |||
| 2143 | F | 25.7 | Very low | 28 | Very low | 159.8 Ų | 159.8 | 127.1 Ų | 127.1 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | trans | 78.8 | 153.4 | 144.2 | -82.3 | -78.5 | 0 | 0 | 0 | 119.5 | L2100 A2101 | L2100-F2143 CarbonylContact C-O 3.5Å; L2100-F2143 VanDerWaalsContact CA-O 3.23Å; L2100-F2143 WeakPolarHBondContact CA-O 3.45Å; L2100-F2143 VanDerWaalsContact CD2-C 3.43Å; L2100-F2143 HydrophobicContact CD2-CB 3.97Å; A2101-F2143 WeakPolarHBondContact CA-O 3.29Å; A2101-F2143 PolarHBondContact N-O 3.47Å | ||
| 2144 | D | 26.8 | Very low | 28.3 | Very low | 109.8 Ų | 109.8 | 129.9 Ų | 129.9 | 59% | 0.587 | 70% | 0.703 | S | S | * | * | trans | 165.9 | 132.5 | 143.9 | -97.2 | -15.4 | 0 | 0 | 0 | 114.4 | A2101 Y2146 | A2101-D2144 HydrophobicContact CB-CB 4.43Å; A2101-D2144 VanDerWaalsContact CB-CG 3.41Å; A2101-D2144 VanDerWaalsContact CB-OD1 3.24Å; A2101-D2144 WeakPolarHBondContact CB-OD1 3.27Å; A2101-D2144 WeakPolarHBondContact CB-OD2 3.44Å; D2144-Y2146 VanDerWaalsContact C-N 3.32Å; D2144-Y2146 PolarHBondContact O-N 2.79Å; D2144-Y2146 VanDerWaalsContact O-N 3.09Å | ||
| 2145 | L | 25.3 | Very low | 28.5 | Very low | 138.2 Ų | 138.2 | 132.1 Ų | 132.1 | 72% | 0.724 | 71% | 0.705 | S | S | * | * | 102.4 | 119.2 | 98.8 | -93.1 | 173.9 | 0 | 0 | 0 | 114.9 | E2147 | L2145-E2147 PolarHBondContact O-N 3.02Š| |||
| 2146 | Y | 26.7 | Very low | 28.5 | Very low | 194 Ų | 194 | 134.5 Ų | 134.5 | 76% | 0.761 | 71% | 0.708 | S | S | * | * | trans | 115.6 | 105.7 | 152.6 | -91.3 | -84.3 | 0 | 0 | 0 | 113.6 | D2144 | D2144-Y2146 VanDerWaalsContact C-N 3.32Å; D2144-Y2146 PolarHBondContact O-N 2.79Å; D2144-Y2146 VanDerWaalsContact O-N 3.09Å | ||
| 2147 | E | 26.2 | Very low | 28.4 | Very low | 154.2 Ų | 154.2 | 138 Ų | 138 | 72% | 0.721 | 71% | 0.713 | S | S | * | * | 82.7 | 125.5 | 89.4 | -97.2 | -172.2 | -176.2 | 0 | 0 | 116.1 | L2145 | L2145-E2147 PolarHBondContact O-N 3.02Š| |||
| 2148 | M | 26.9 | Very low | 28.5 | Very low | 159 Ų | 159 | 139.8 Ų | 139.8 | 78% | 0.783 | 71% | 0.713 | S | S | * | * | -174.5 | 128.5 | 116.9 | -89.3 | -170.8 | 131.9 | 0 | 0 | 112.2 | |||||
| 2149 | S | 29 | Very low | 28.5 | Very low | 101 Ų | 101 | 143.3 Ų | 143.3 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | trans | 52.9 | 121.2 | 135.3 | 67.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 2150 | N | 29.7 | Very low | 28.6 | Very low | 150 Ų | 150 | 142.5 Ų | 142.5 | 80% | 0.802 | 72% | 0.719 | S | S | * | * | 82.2 | 135.3 | 84.8 | -139.4 | 4.7 | 0 | 0 | 0 | 115.4 | T2152 | N2150-T2152 PolarHBondContact OD1-N 3.07Š| |||
| 2151 | P | 34 | Very low | 28.7 | Very low | 103 Ų | 103 | 144.7 Ų | 144.7 | 67% | 0.669 | 73% | 0.727 | S | S | * | * | trans | -130.7 | 170.5 | 167.5 | 37.3 | -22.7 | 0 | 0 | 0 | 115 | T2153 | P2151-T2153 PolarHBondContact O-N 3.3Š| ||
| 2152 | T | 30 | Very low | 28.8 | Very low | 121 Ų | 121 | 146.1 Ų | 146.1 | 74% | 0.742 | 73% | 0.731 | S | S | * | * | trans | 85.9 | 115.3 | 155.8 | 30.6 | 0 | 0 | 0 | 0 | 117.6 | N2150 | N2150-T2152 PolarHBondContact OD1-N 3.07Š| ||
| 2153 | T | 32.6 | Very low | 29 | Very low | 124.4 Ų | 124.4 | 147.9 Ų | 147.9 | 76% | 0.763 | 74% | 0.739 | S | S | * | * | 161.3 | 137.8 | 122 | 43.8 | 0 | 0 | 0 | 0 | 117.4 | P2151 | P2151-T2153 PolarHBondContact O-N 3.3Š| |||
| 2154 | H | 30.8 | Very low | 29.1 | Very low | 157.2 Ų | 157.2 | 150.8 Ų | 150.8 | 73% | 0.728 | 75% | 0.746 | S | S | * | * | trans | 179.6 | 119.6 | 150.4 | -124.4 | -46.1 | 0 | 0 | 0 | 117.8 | Q2156 | H2154-Q2156 PolarHBondContact O-N 2.95Š| ||
| 2155 | I | 31.2 | Very low | 29.1 | Very low | 139 Ų | 139 | 152 Ų | 152 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | trans | -45.4 | 117.7 | 163.7 | -64 | 168.8 | 0 | 0 | 0 | 112.7 | K2157 I2158 | I2155-K2157 VanDerWaalsContact C-N 3.26Å; I2155-K2157 PolarHBondContact O-N 3.44Å; I2155-I2158 PolarHBondContact O-N 3.26Å; I2155-I2158 VanDerWaalsContact O-N 3.17Å | ||
| 2156 | Q | 30.2 | Very low | 29.2 | Very low | 174.6 Ų | 174.6 | 154.1 Ų | 154.1 | 82% | 0.816 | 76% | 0.76 | S | S | * | * | trans | 165.8 | 97.3 | 143.5 | -124.7 | 171.8 | -12.2 | 0 | 0 | 111.9 | H2154 | H2154-Q2156 PolarHBondContact O-N 2.95Š| ||
| 2157 | K | 27.4 | Very low | 29.2 | Very low | 176.2 Ų | 176.2 | 152 Ų | 152 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | trans | 100.5 | 86.8 | 148.7 | -93.8 | 173.6 | -178.7 | 174.4 | 0 | 114.8 | I2155 | I2155-K2157 VanDerWaalsContact C-N 3.26Å; I2155-K2157 PolarHBondContact O-N 3.44Å | ||
| 2158 | I | 29.5 | Very low | 29.2 | Very low | 134.2 Ų | 134.2 | 148.7 Ų | 148.7 | 69% | 0.688 | 76% | 0.759 | S | S | * | * | trans | -117.8 | 93 | 152.1 | -59.1 | 157.7 | 0 | 0 | 0 | 111.4 | I2155 M2161 | I2155-I2158 PolarHBondContact O-N 3.26Å; I2155-I2158 VanDerWaalsContact O-N 3.17Å; I2158-M2161 PolarHBondContact O-N 3.48Å | ||
| 2159 | L | 29.1 | Very low | 29.2 | Very low | 154.2 Ų | 154.2 | 150.7 Ų | 150.7 | 81% | 0.807 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 137.2 | 121.3 | 138.7 | -118.8 | 98.4 | 0 | 0 | 0 | 112.5 | M2161 K2162 | L2159-M2161 VanDerWaalsContact C-N 3.3Å; L2159-M2161 PolarHBondContact O-N 3.21Å; L2159-K2162 PolarHBondContact O-N 2.94Å |
| 2160 | E | 29.8 | Very low | 29.1 | Very low | 157 Ų | 157 | 151.4 Ų | 151.4 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | 137.7 | 107 | -170.8 | -71.4 | -165.7 | 155.4 | 0 | 0 | 113.2 | K2162 | E2160-K2162 VanDerWaalsContact OE1-CE 3.25Å; E2160-K2162 WeakPolarHBondContact OE1-CE 3.49Å; E2160-K2162 IonicContact OE1-NZ 3.73Å; E2160-K2162 PolarHBondContact OE1-NZ 2.82Å; E2160-K2162 IonicContact OE2-NZ 2.68Å; E2160-K2162 PolarHBondContact OE2-NZ 2.88Å; E2160-K2162 VanDerWaalsContact OE2-NZ 3.16Å | ||
| 2161 | M | 28.6 | Very low | 28.9 | Very low | 161.6 Ų | 161.6 | 154.8 Ų | 154.8 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | -109.3 | 115.5 | 121.9 | -69.9 | -167.7 | 177 | 0 | 0 | 115 | I2158 L2159 Q2163 R2164 | I2158-M2161 PolarHBondContact O-N 3.48Å; L2159-M2161 VanDerWaalsContact C-N 3.3Å; L2159-M2161 PolarHBondContact O-N 3.21Å; M2161-Q2163 VanDerWaalsContact C-N 3.28Å; M2161-Q2163 PolarHBondContact O-N 2.74Å; M2161-R2164 PolarHBondContact O-N 3.08Å | |||
| 2162 | K | 28.7 | Very low | 28.6 | Very low | 177 Ų | 177 | 156.8 Ų | 156.8 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | 53.9 | 128.7 | 141.8 | -73.3 | 170.1 | 179.9 | 169.9 | 0 | 112.8 | L2159 E2160 R2164 | L2159-K2162 PolarHBondContact O-N 2.94Å; E2160-K2162 VanDerWaalsContact OE1-CE 3.25Å; E2160-K2162 WeakPolarHBondContact OE1-CE 3.49Å; E2160-K2162 IonicContact OE1-NZ 3.73Å; E2160-K2162 PolarHBondContact OE1-NZ 2.82Å; E2160-K2162 IonicContact OE2-NZ 2.68Å; E2160-K2162 PolarHBondContact OE2-NZ 2.88Å; E2160-K2162 VanDerWaalsContact OE2-NZ 3.16Å; K2162-R2164 VanDerWaalsContact C-N 3.33Å | ||
| 2163 | Q | 30.9 | Very low | 28.4 | Very low | 161 Ų | 161 | 160.8 Ų | 160.8 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | -171.3 | 126.6 | 120.8 | -96.2 | 178 | 17.3 | 0 | 0 | 113.8 | M2161 | M2161-Q2163 VanDerWaalsContact C-N 3.28Å; M2161-Q2163 PolarHBondContact O-N 2.74Å | |||
| 2164 | R | 27.7 | Very low | 28.2 | Very low | 221.2 Ų | 221.2 | 161.6 Ų | 161.6 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | trans | 41.5 | 128.8 | 150.6 | -76.2 | 172.3 | -177.6 | -173.5 | -0.3 | 116.6 | M2161 K2162 | M2161-R2164 PolarHBondContact O-N 3.08Å; K2162-R2164 VanDerWaalsContact C-N 3.33Å | ||
| 2165 | V | 27.6 | Very low | 28 | Very low | 133.4 Ų | 133.4 | 158.7 Ų | 158.7 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | -115.9 | 136.1 | 122.5 | 172.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 2166 | K | 26.3 | Very low | 27.7 | Very low | 182 Ų | 182 | 157.9 Ų | 157.9 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | -139.4 | 151.2 | 153.8 | -91.4 | 175.4 | 179.2 | -179.8 | 0 | 112.1 | ||||
| 2167 | I | 27.5 | Very low | 27.7 | Very low | 150.6 Ų | 150.6 | 155.3 Ų | 155.3 | 77% | 0.772 | 76% | 0.76 | S | S | * | * | trans | 73.8 | 110.3 | 155.5 | -55.6 | 162.6 | 0 | 0 | 0 | 116.4 | F2169 | I2167-F2169 HydrophobicContact CG2-CB 4.25Å; I2167-F2169 VanDerWaalsContact CG2-N 3.33Å | ||
| 2168 | A | 26.3 | Very low | 27.7 | Very low | 85 Ų | 85 | 156.1 Ų | 156.1 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | 177.6 | 111.5 | 102.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 2169 | F | 26.4 | Very low | 28 | Very low | 201.6 Ų | 201.6 | 154.7 Ų | 154.7 | 88% | 0.884 | 76% | 0.763 | S | S | * | * | -124.9 | 156.9 | 110 | -102.8 | -98.7 | 0 | 0 | 0 | 114.2 | I2167 W2171 | I2167-F2169 HydrophobicContact CG2-CB 4.25Å; I2167-F2169 VanDerWaalsContact CG2-N 3.33Å; F2169-W2171 PolarHBondContact O-N 2.87Å | |||
| 2170 | V | 25.7 | Very low | 27.9 | Very low | 116.2 Ų | 116.2 | 157.1 Ų | 157.1 | 70% | 0.704 | 76% | 0.763 | S | S | * | * | trans | -118.2 | 125.9 | -175 | -179.9 | 0 | 0 | 0 | 0 | 115.7 | H2172 | V2170-H2172 HydrophobicContact CG1-CB 3.97Å; V2170-H2172 WeakPolarHBondContact CG1-CD2 3.21Å; V2170-H2172 PolarHBondContact O-N 3.46Å | ||
| 2171 | W | 25.6 | Very low | 27.8 | Very low | 221.2 Ų | 221.2 | 155.9 Ų | 155.9 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | trans | 49.5 | 101.7 | 147.8 | -68.2 | 39 | 0 | 0 | 0 | 119.7 | F2169 R2173 | F2169-W2171 PolarHBondContact O-N 2.87Å; W2171-R2173 HydrophobicContact CE3-CB 4.39Å | ||
| 2172 | H | 28 | Very low | 27.7 | Very low | 143.4 Ų | 143.4 | 156.7 Ų | 156.7 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | 152.8 | 130 | 109.7 | -113.1 | 58.5 | 0 | 0 | 0 | 112.7 | V2170 I2174 | V2170-H2172 HydrophobicContact CG1-CB 3.97Å; V2170-H2172 WeakPolarHBondContact CG1-CD2 3.21Å; V2170-H2172 PolarHBondContact O-N 3.46Å; H2172-I2174 PolarHBondContact O-N 3.1Å | |||
| 2173 | R | 25.6 | Very low | 27.5 | Very low | 205.4 Ų | 205.4 | 154.1 Ų | 154.1 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | 125.5 | 140.4 | 74.3 | -148.4 | -175.2 | -168.4 | -173.2 | 2.6 | 111.8 | W2171 S2175 | W2171-R2173 HydrophobicContact CE3-CB 4.39Å; R2173-S2175 PolarHBondContact O-N 3.09Å | |||
| 2174 | I | 28.5 | Very low | 27.3 | Very low | 141.8 Ų | 141.8 | 153.1 Ų | 153.1 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | 115 | 110 | 179.3 | -66.9 | 176.5 | 0 | 0 | 0 | 112.1 | H2172 V2176 | H2172-I2174 PolarHBondContact O-N 3.1Å; I2174-V2176 HydrophobicContact CG2-CB 4.26Å; I2174-V2176 HydrophobicContact CG2-CG2 3.69Å; I2174-V2176 PolarHBondContact O-N 3.22Å | ||
| 2175 | S | 26.3 | Very low | 27.2 | Very low | 96.6 Ų | 96.6 | 146.7 Ų | 146.7 | 68% | 0.676 | 75% | 0.754 | S | S | * | * | -105.2 | 137.2 | 107.1 | -43.4 | 0 | 0 | 0 | 0 | 113.1 | R2173 T2177 | R2173-S2175 PolarHBondContact O-N 3.09Å; S2175-T2177 PolarHBondContact O-N 3.24Å; S2175-T2177 VanDerWaalsContact O-N 3.1Å | |||
| 2176 | V | 27 | Very low | 27.2 | Very low | 121.2 Ų | 121.2 | 146.9 Ų | 146.9 | 74% | 0.735 | 76% | 0.755 | S | S | * | * | trans | 43.8 | 115.9 | 135.6 | -172.1 | 0 | 0 | 0 | 0 | 114.7 | I2174 | I2174-V2176 HydrophobicContact CG2-CB 4.26Å; I2174-V2176 HydrophobicContact CG2-CG2 3.69Å; I2174-V2176 PolarHBondContact O-N 3.22Å | ||
| 2177 | T | 29.9 | Very low | 27.1 | Very low | 119.6 Ų | 119.6 | 148.9 Ų | 148.9 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | -178.4 | 138.2 | 114.1 | 41.1 | 0 | 0 | 0 | 0 | 115.7 | S2175 | S2175-T2177 PolarHBondContact O-N 3.24Å; S2175-T2177 VanDerWaalsContact O-N 3.1Å | |||
| 2178 | K | 26.7 | Very low | 26.9 | Very low | 194.6 Ų | 194.6 | 149.7 Ų | 149.7 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | trans | 80.8 | 152.9 | 136.8 | -85.8 | -173.7 | 174.9 | -175.9 | 0 | 116.9 | ||||
| 2179 | P | 35.2 | Very low | 26.8 | Very low | 103.6 Ų | 103.6 | 151.6 Ų | 151.6 | 67% | 0.673 | 77% | 0.765 | S | S | * | * | trans | -100.1 | -178.7 | -169.2 | 40.6 | -35.8 | 0 | 0 | 0 | 113.8 | ||||
| 2180 | Y | 28.5 | Very low | 26.8 | Very low | 205.8 Ų | 205.8 | 151.1 Ų | 151.1 | 81% | 0.807 | 77% | 0.766 | S | S | * | * | trans | 169.5 | 145 | 141.6 | -94.1 | -86.6 | 0 | 0 | 0 | 110.8 | ||||
| 2181 | E | 26.3 | Very low | 26.8 | Very low | 131.6 Ų | 131.6 | 148.9 Ų | 148.9 | 62% | 0.615 | 77% | 0.767 | S | S | * | * | -124.3 | 159.9 | 71.6 | -71.3 | 168.6 | 130.7 | 0 | 0 | 112.8 | |||||
| 2182 | K | 26.4 | Very low | 26.9 | Very low | 177.4 Ų | 177.4 | 150.2 Ų | 150.2 | 77% | 0.771 | 77% | 0.771 | S | S | * | * | 162.3 | 136.9 | 120 | -92.5 | 168.3 | -176.7 | 157.3 | 0 | 115.8 | |||||
| 2183 | T | 25.2 | Very low | 26.9 | Very low | 123.4 Ų | 123.4 | 150.9 Ų | 150.9 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | trans | -54.6 | 153.6 | 142.8 | 40.8 | 0 | 0 | 0 | 0 | 114.1 | A2185 | T2183-A2185 HydrophobicContact CG2-CB 4.29Š| ||
| 2184 | V | 27.5 | Very low | 27.4 | Very low | 140.4 Ų | 140.4 | 146.3 Ų | 146.3 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | -143.5 | 140 | 97.4 | 170 | 0 | 0 | 0 | 0 | 107.6 | V2186 | V2184-V2186 HydrophobicContact CG1-CG2 4.44Š| |||
| 2185 | A | 24.9 | Very low | 27.2 | Very low | 86 Ų | 86 | 146.3 Ų | 146.3 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | -110.1 | 137.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T2183 | T2183-A2185 HydrophobicContact CG2-CB 4.29Š| ||
| 2186 | V | 26.6 | Very low | 27.4 | Very low | 136.6 Ų | 136.6 | 149.8 Ų | 149.8 | 83% | 0.828 | 78% | 0.78 | S | S | * | * | trans | -149.5 | 124.4 | 156 | 177.8 | 0 | 0 | 0 | 0 | 109.2 | V2184 | V2184-V2186 HydrophobicContact CG1-CG2 4.44Š| ||
| 2187 | R | 24.3 | Very low | 27.3 | Very low | 224.2 Ų | 224.2 | 150.8 Ų | 150.8 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | -10 | 148.8 | 121.1 | -78.1 | -172.7 | 173.4 | 162.9 | 1 | 115 | |||||
| 2188 | E | 24 | Very low | 27.1 | Very low | 167.2 Ų | 167.2 | 150.8 Ų | 150.8 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | trans | -27.5 | 153 | 155 | -72.5 | 167.8 | 129.2 | 0 | 0 | 113.8 | ||||
| 2189 | C | 25.2 | Very low | 27.3 | Very low | 125 Ų | 125 | 147.7 Ų | 147.7 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | -165.1 | 134.8 | 153.8 | -111.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 2190 | Q | 25.6 | Very low | 27 | Very low | 191.8 Ų | 191.8 | 146.5 Ų | 146.5 | 90% | 0.896 | 79% | 0.788 | S | S | * | * | trans | -62.1 | 145 | 167.7 | -59.6 | -179.9 | -2.4 | 0 | 0 | 113 | ||||
| 2191 | G | 26.4 | Very low | 26.9 | Very low | 70.8 Ų | 70.8 | 143.4 Ų | 143.4 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | trans | 150.3 | 123.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 2192 | R | 25.9 | Very low | 26.9 | Very low | 247.6 Ų | 247.6 | 144 Ų | 144 | 93% | 0.934 | 79% | 0.788 | S | S | * | * | trans | 71.4 | 135.4 | 148.5 | -66.9 | -178.9 | 173.9 | 175.3 | -1.7 | 118.1 | ||||
| 2193 | L | 29.8 | Very low | 26.8 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -31.1 | 163.1 | 150 | -83.6 | 78.4 | 0 | 0 | 0 | 115.4 | ||||
| 2194 | P | 34.4 | Very low | 26.9 | Very low | 107.4 Ų | 107.4 | 146.1 Ų | 146.1 | 70% | 0.697 | 78% | 0.784 | S | S | * | * | cis | -138.9 | 168.5 | 16.6 | 30.3 | -9.8 | 0 | 0 | 0 | 115.6 | ||||
| 2195 | L | 25.9 | Very low | 26.9 | Very low | 142.8 Ų | 142.8 | 146.2 Ų | 146.2 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | 90.7 | 147.6 | 107.2 | -112.9 | 157.2 | 0 | 0 | 0 | 119.2 | |||||
| 2196 | F | 29 | Very low | 26.9 | Very low | 170 Ų | 170 | 145.6 Ų | 145.6 | 75% | 0.746 | 78% | 0.782 | S | S | * | * | trans | 93.9 | 136.5 | 163.8 | -72.9 | -74.1 | 0 | 0 | 0 | 120.2 | ||||
| 2197 | L | 26.1 | Very low | 26.9 | Very low | 141.2 Ų | 141.2 | 145.3 Ų | 145.3 | 74% | 0.739 | 78% | 0.78 | S | S | * | * | trans | 68 | 137.6 | 142.3 | -75.1 | 168.6 | 0 | 0 | 0 | 116.6 | T2199 | L2197-T2199 HydrophobicContact CD2-CG2 3.76Š| ||
| 2198 | C | 26.1 | Very low | 26.9 | Very low | 120.8 Ų | 120.8 | 144.2 Ų | 144.2 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | -157.9 | 150.2 | 75.7 | -114.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 2199 | T | 29 | Very low | 27.1 | Very low | 128.8 Ų | 128.8 | 139.6 Ų | 139.6 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -73.6 | 130.5 | 177.8 | 50.1 | 0 | 0 | 0 | 0 | 115.6 | L2197 N2201 | L2197-T2199 HydrophobicContact CD2-CG2 3.76Å; T2199-N2201 PolarHBondContact O-N 3.18Å | ||
| 2200 | G | 29.6 | Very low | 27.1 | Very low | 78.8 Ų | 78.8 | 140.8 Ų | 140.8 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | trans | -137.5 | 62 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 2201 | N | 26.7 | Very low | 27.2 | Very low | 139.75 Ų | 139.75 | 137.3 Ų | 137.3 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | trans | -11.9 | 134 | 171.8 | -147 | -5.9 | 0 | 0 | 0 | 115.3 | T2199 | T2199-N2201 PolarHBondContact O-N 3.18Š| ||
| 2202 | Q | 26.6 | Very low | 27.1 | Very low | 145 Ų | 145 | 144.4 Ų | 144.4 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | trans | 137.1 | 125.2 | 155.4 | -73.6 | -73.9 | -53.7 | 0 | 0 | 113.2 | ||||
| 2203 | R | 24.6 | Very low | 27.2 | Very low | 196.75 Ų | 196.75 | 140.4 Ų | 140.4 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | trans | 31.2 | 143.7 | 130.2 | -78.8 | 176.2 | -168.4 | 175.9 | -2.6 | 115 | ||||
| 2204 | Q | 26.5 | Very low | 27.1 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 70% | 0.696 | 77% | 0.765 | S | S | * | * | -175.2 | 146.1 | 70.1 | -113.8 | 172.4 | 5.6 | 0 | 0 | 114.4 | |||||
| 2205 | N | 26.9 | Very low | 26.7 | Very low | 141.25 Ų | 141.25 | 139.9 Ų | 139.9 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | 59.1 | 111.7 | 148.6 | -53 | -18.8 | 0 | 0 | 0 | 119 | ||||
| 2206 | G | 25.5 | Very low | 26.9 | Very low | 73.25 Ų | 73.25 | 141.6 Ų | 141.6 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | 119.2 | 145.6 | 97.3 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 2207 | V | 26.3 | Very low | 26.9 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 79% | 0.788 | 76% | 0.764 | S | S | * | * | trans | -150.4 | 122.1 | 130 | 170.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2208 | K | 24.9 | Very low | 27 | Very low | 201.5 Ų | 201.5 | 138.2 Ų | 138.2 | 88% | 0.876 | 77% | 0.768 | S | S | * | * | trans | 36.5 | 130.9 | 136.4 | -57.8 | 173.6 | -178.9 | 177.2 | 0 | 118.7 | ||||
| 2209 | G | 27.3 | Very low | 27 | Very low | 71.5 Ų | 71.5 | 139.1 Ų | 139.1 | 74% | 0.737 | 76% | 0.764 | S | S | * | * | trans | 143.5 | 93.6 | 159 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 2210 | N | 27.1 | Very low | 27.1 | Very low | 150.75 Ų | 150.75 | 139.7 Ų | 139.7 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | cis | 69.6 | 117.1 | 32 | -120.7 | -0.5 | 0 | 0 | 0 | 114.6 | ||||
| 2211 | V | 26.2 | Very low | 27.1 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 72% | 0.715 | 75% | 0.753 | S | S | * | * | trans | 78.6 | 111.6 | 133.3 | 173.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 2212 | R | 25.6 | Very low | 27.1 | Very low | 220.25 Ų | 220.25 | 142.8 Ų | 142.8 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | 131.3 | 159.5 | 89.8 | -86.2 | 177.5 | -178.6 | 172.3 | -1.1 | 113.3 | |||||
| 2213 | Q | 27.3 | Very low | 27.3 | Very low | 163 Ų | 163 | 145.8 Ų | 145.8 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | -104.8 | 170.5 | 61.5 | -71.5 | 166.2 | -31.2 | 0 | 0 | 111 | |||||
| 2214 | K | 26.8 | Very low | 27.7 | Very low | 191 Ų | 191 | 142 Ų | 142 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | 99.5 | 133.5 | 99.4 | -78.9 | 179.8 | 179.7 | 174.4 | 0 | 113.4 | |||||
| 2215 | G | 27.4 | Very low | 27.8 | Very low | 63.75 Ų | 63.75 | 139.1 Ų | 139.1 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | 111.1 | 129 | 68.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 2216 | H | 29.7 | Very low | 27.7 | Very low | 180.25 Ų | 180.25 | 142 Ų | 142 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | trans | 68.6 | 118.6 | 151.8 | -69.7 | -116.8 | 0 | 0 | 0 | 113.6 | ||||
| 2217 | A | 28.2 | Very low | 28 | Very low | 82.25 Ų | 82.25 | 145.9 Ų | 145.9 | 68% | 0.68 | 77% | 0.773 | S | S | * | * | cis | 99.4 | 143.2 | 42.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 2218 | L | 28.5 | Very low | 28.3 | Very low | 155.75 Ų | 155.75 | 145.5 Ų | 145.5 | 82% | 0.815 | 77% | 0.773 | S | S | * | * | trans | 120.8 | 127.2 | 154.2 | -85.8 | 102.1 | 0 | 0 | 0 | 111.9 | ||||
| 2219 | L | 26.4 | Very low | 28.5 | Very low | 139.5 Ų | 139.5 | 140.5 Ų | 140.5 | 73% | 0.73 | 76% | 0.764 | S | S | * | * | cis | 130.4 | 139.2 | 30.6 | -87.3 | 171.2 | 0 | 0 | 0 | 111 | ||||
| 2220 | I | 30 | Very low | 28.6 | Very low | 142.5 Ų | 142.5 | 148 Ų | 148 | 73% | 0.731 | 77% | 0.77 | S | S | * | * | 40.1 | 139.4 | 112.6 | -71.1 | 167.9 | 0 | 0 | 0 | 114.4 | F2222 | I2220-F2222 HydrophobicContact CG2-CD2 4.46Š| |||
| 2221 | P | 31.6 | Very low | 28.7 | Very low | 99.5 Ų | 99.5 | 146.7 Ų | 146.7 | 65% | 0.646 | 77% | 0.767 | S | S | * | * | -133 | 174.8 | 64 | 33.8 | -14.3 | 0 | 0 | 0 | 115.3 | |||||
| 2222 | F | 26.1 | Very low | 28.9 | Very low | 183.25 Ų | 183.25 | 145.6 Ų | 145.6 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | 85.3 | 118.3 | 102.1 | -85.3 | -78.5 | 0 | 0 | 0 | 118.9 | I2220 | I2220-F2222 HydrophobicContact CG2-CD2 4.46Š| |||
| 2223 | Y | 30.3 | Very low | 29.1 | Very low | 207.75 Ų | 207.75 | 139.4 Ų | 139.4 | 82% | 0.815 | 77% | 0.767 | S | S | * | * | trans | 6 | 151.4 | 143.8 | -73.3 | -95.9 | 0 | 0 | 0 | 120.9 | ||||
| 2224 | P | 33.6 | Very low | 29.2 | Very low | 118.25 Ų | 118.25 | 136.6 Ų | 136.6 | 77% | 0.768 | 77% | 0.765 | S | S | * | * | cis | -135.3 | 156.2 | 31.2 | 33.6 | -16.5 | 0 | 0 | 0 | 115 | ||||
| 2225 | A | 27.4 | Very low | 29.5 | Very low | 87 Ų | 87 | 133.7 Ų | 133.7 | 72% | 0.719 | 76% | 0.764 | S | S | * | * | 88.4 | 133.9 | 126.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 2226 | K | 26.2 | Very low | 29.8 | Very low | 203.25 Ų | 203.25 | 139.1 Ų | 139.1 | 88% | 0.884 | 77% | 0.772 | S | S | * | * | trans | 100.9 | 125.8 | 151.5 | -80.6 | 173.8 | 179.8 | 177.8 | 0 | 120.5 | ||||
| 2227 | L | 31.6 | Very low | 30.1 | Very low | 154.5 Ų | 154.5 | 135.8 Ų | 135.8 | 81% | 0.809 | 77% | 0.766 | S | S | * | * | trans | -42.5 | 155.2 | 154.4 | -77.3 | 73.9 | 0 | 0 | 0 | 114.9 | ||||
| 2228 | P | 32.8 | Very low | 30.2 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | -117.7 | 148.5 | 85.3 | 36.6 | -24.1 | 0 | 0 | 0 | 113.5 | |||||
| 2229 | S | 27.9 | Very low | 30.3 | Very low | 96.25 Ų | 96.25 | 138.4 Ų | 138.4 | 67% | 0.673 | 77% | 0.768 | S | S | * | * | trans | 170 | 123.3 | 145.3 | 72 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 2230 | R | 29.2 | Very low | 30.5 | Very low | 229 Ų | 229 | 138.9 Ų | 138.9 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | trans | 130.1 | 130.4 | 152.5 | -89.6 | -177.4 | 170.7 | 177 | -3.7 | 116.1 | ||||
| 2231 | T | 29.5 | Very low | 30.4 | Very low | 123.25 Ų | 123.25 | 140.4 Ų | 140.4 | 76% | 0.756 | 77% | 0.768 | S | S | * | * | 127.9 | 146.1 | 63.8 | 28.4 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 2232 | A | 30.1 | Very low | 30.2 | Very low | 96 Ų | 96 | 141.5 Ų | 141.5 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | trans | 104.3 | 148.3 | 138.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 2233 | A | 31.5 | Very low | 30.2 | Very low | 89.75 Ų | 89.75 | 140.4 Ų | 140.4 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | trans | 84.4 | 122.5 | 156 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 2234 | S | 29.2 | Very low | 30.1 | Very low | 104.25 Ų | 104.25 | 138.8 Ų | 138.8 | 73% | 0.729 | 77% | 0.77 | S | S | * | * | 70.2 | 133.8 | 62.8 | 71.1 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 2235 | T | 32.6 | Very low | 30.1 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 80% | 0.798 | 77% | 0.77 | S | S | * | * | -178.3 | 146.2 | 86.4 | 34.9 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 2236 | H | 34 | Very low | 30.3 | Very low | 177 Ų | 177 | 143.4 Ų | 143.4 | 82% | 0.819 | 78% | 0.775 | S | S | * | * | trans | -80.8 | 174.9 | 145 | -95.2 | -50.3 | 0 | 0 | 0 | 113.3 | ||||
| 2237 | P | 36 | Very low | 30.7 | Very low | 111.5 Ų | 111.5 | 136.7 Ų | 136.7 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | cis | -126.8 | 173.7 | 19.2 | 34.8 | -18.1 | 0 | 0 | 0 | 114.9 | ||||
| 2238 | S | 29.6 | Very low | 30.8 | Very low | 100.25 Ų | 100.25 | 136 Ų | 136 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | -177.1 | 149.1 | 126.7 | 45.9 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 2239 | K | 30.5 | Very low | 30.9 | Very low | 191.75 Ų | 191.75 | 137.2 Ų | 137.2 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | trans | 128.6 | 138.6 | 139.2 | -84.3 | 173.8 | 178.8 | -161.9 | 0 | 114.1 | ||||
| 2240 | E | 30 | Very low | 31.1 | Very low | 149.75 Ų | 149.75 | 141.5 Ų | 141.5 | 70% | 0.7 | 77% | 0.765 | S | S | * | * | -135.6 | 148 | 93.6 | -76.2 | 173.2 | 129.1 | 0 | 0 | 113.1 | |||||
| 2241 | K | 28.4 | Very low | 31.2 | Very low | 173.25 Ų | 173.25 | 135.2 Ų | 135.2 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | 133.8 | 144.4 | 80.1 | -111.3 | 174.9 | -176.5 | 159.5 | 0 | 115.1 | |||||
| 2242 | T | 27.7 | Very low | 31.4 | Very low | 124.5 Ų | 124.5 | 138.1 Ų | 138.1 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | trans | 33.5 | 132.1 | 157 | 48.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 2243 | M | 25.7 | Very low | 31.7 | Very low | 158.75 Ų | 158.75 | 140 Ų | 140 | 78% | 0.782 | 75% | 0.748 | S | S | * | * | 136.1 | 138.3 | 56 | -147.3 | 168.9 | 158.5 | 0 | 0 | 115.6 | |||||
| 2244 | F | 28.7 | Very low | 32 | Very low | 175.25 Ų | 175.25 | 140.2 Ų | 140.2 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | 66.8 | 120.4 | 168.4 | -75.8 | -88.9 | 0 | 0 | 0 | 119.4 | ||||
| 2245 | H | 33.1 | Very low | 32.6 | Very low | 167.5 Ų | 167.5 | 139.4 Ų | 139.4 | 78% | 0.775 | 74% | 0.738 | S | S | * | * | -165.3 | 118.9 | 121.8 | -115.5 | -75 | 0 | 0 | 0 | 115 | G2247 | H2245-G2247 PolarHBondContact O-N 3.16Š| |||
| 2246 | V | 33 | Very low | 33.2 | Very low | 133.5 Ų | 133.5 | 139.3 Ų | 139.3 | 81% | 0.809 | 73% | 0.732 | S | S | * | * | trans | -7 | 104.6 | 157.4 | -175.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 2247 | G | 33.5 | Very low | 33.5 | Very low | 62.5 Ų | 62.5 | 135.2 Ų | 135.2 | 64% | 0.644 | 72% | 0.723 | S | S | * | * | trans | -161.7 | -3.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | H2245 | H2245-G2247 PolarHBondContact O-N 3.16Š| ||
| 2248 | L | 33.9 | Very low | 34 | Very low | 139.75 Ų | 139.75 | 135.6 Ų | 135.6 | 73% | 0.732 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -23.5 | 48.2 | 169.6 | -69.5 | 166.1 | 0 | 0 | 0 | 115.6 | K2250 C2251 | L2248-K2250 PolarHBondContact O-N 3.09Å; L2248-C2251 PolarHBondContact O-N 3.05Å |
| 2249 | I | 34 | Very low | 34.8 | Very low | 146.5 Ų | 146.5 | 133.9 Ų | 133.9 | 75% | 0.751 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 55.4 | 170.6 | -50.8 | 173 | 0 | 0 | 0 | 112.4 | C2251 I2253 | I2249-C2251 PolarHBondContact O-N 3.1Å; I2249-I2253 HydrophobicContact CG2-CD1 4.33Å; I2249-I2253 HydrophobicContact CG2-CG1 4.45Å |
| 2250 | K | 32.3 | Very low | 35.5 | Very low | 187.5 Ų | 187.5 | 129.3 Ų | 129.3 | 82% | 0.815 | 69% | 0.689 | S | S | * | * | trans | -79 | 34.6 | 161.8 | -75.5 | -172.9 | 174.7 | -179.2 | 0 | 115.4 | L2248 | L2248-K2250 PolarHBondContact O-N 3.09Š| ||
| 2251 | C | 32.9 | Very low | 36.3 | Very low | 96.75 Ų | 96.75 | 126.9 Ų | 126.9 | 65% | 0.654 | 68% | 0.68 | S | S | * | * | trans | -121.5 | 46.4 | 162.8 | -125.2 | 0 | 0 | 0 | 0 | 112.5 | L2248 I2249 S2254 | L2248-C2251 PolarHBondContact O-N 3.05Å; I2249-C2251 PolarHBondContact O-N 3.1Å; C2251-S2254 PolarHBondContact O-OG 3.03Å | ||
| 2252 | Y | 32.8 | Very low | 37.2 | Very low | 183.75 Ų | 183.75 | 123.6 Ų | 123.6 | 72% | 0.721 | 67% | 0.671 | S | S | * | * | trans | -62 | 53.4 | -179 | -80.5 | -89.1 | 0 | 0 | 0 | 114.4 | S2255 L2256 | Y2252-S2255 PolarHBondContact O-N 2.84Å; Y2252-L2256 HydrophobicContact CD1-CD1 4.34Å; Y2252-L2256 PolarHBondContact O-N 3.27Å | ||
| 2253 | I | 36.8 | Very low | 37.9 | Very low | 135.75 Ų | 135.75 | 123.5 Ų | 123.5 | 70% | 0.696 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -7.3 | 35.1 | 157 | -58.7 | 174.9 | 0 | 0 | 0 | 112.7 | I2249 C2257 | I2249-I2253 HydrophobicContact CG2-CD1 4.33Å; I2249-I2253 HydrophobicContact CG2-CG1 4.45Å; I2253-C2257 WeakPolarHBondContact O-CB 3.49Å; I2253-C2257 PolarHBondContact O-N 2.93Å |
| 2254 | S | 38.3 | Very low | 38.7 | Very low | 94 Ų | 94 | 120.8 Ų | 120.8 | 66% | 0.657 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -6.3 | 52.9 | 161.9 | 63.3 | 0 | 0 | 0 | 0 | 114.1 | C2251 | C2251-S2254 PolarHBondContact O-OG 3.03Å |
| 2255 | S | 41.8 | Very low | 39.3 | Very low | 87.25 Ų | 87.25 | 116.7 Ų | 116.7 | 61% | 0.61 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -102.2 | -96.5 | 173.2 | 176.2 | 0 | 0 | 0 | 0 | 115.4 | Y2252 C2257 P2259 | Y2252-S2255 PolarHBondContact O-N 2.84Å; S2255-C2257 PolarHBondContact O-N 3.02Å; S2255-C2257 VanDerWaalsContact O-N 3.14Å; S2255-P2259 WeakPolarHBondContact O-CD 3.33Å; S2255-P2259 VanDerWaalsContact O-CG 3.28Å; S2255-P2259 WeakPolarHBondContact O-CG 3.17Å |
| 2256 | L | 43.8 | Very low | 39.6 | Very low | 128 Ų | 128 | 111.6 Ų | 111.6 | 67% | 0.67 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -13 | -23.9 | 175.9 | -78.2 | 155.7 | 0 | 0 | 0 | 117.6 | Y2252 P2259 L2260 | Y2252-L2256 HydrophobicContact CD1-CD1 4.34Å; Y2252-L2256 PolarHBondContact O-N 3.27Å; L2256-P2259 WeakPolarHBondContact O-CD 3.41Å; L2256-P2259 WeakPolarHBondContact O-CG 3.19Å; L2256-L2260 WeakPolarHBondContact O-CB 3.32Å; L2256-L2260 PolarHBondContact O-N 3.16Å |
| 2257 | C | 41.1 | Very low | 39.8 | Very low | 92 Ų | 92 | 108.7 Ų | 108.7 | 62% | 0.622 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -89.5 | -33.9 | 176.8 | -126.3 | 0 | 0 | 0 | 0 | 113.6 | I2253 S2255 L2260 L2261 | I2253-C2257 WeakPolarHBondContact O-CB 3.49Å; I2253-C2257 PolarHBondContact O-N 2.93Å; S2255-C2257 PolarHBondContact O-N 3.02Å; S2255-C2257 VanDerWaalsContact O-N 3.14Å; C2257-L2260 PolarHBondContact O-N 3.31Å; C2257-L2260 VanDerWaalsContact O-N 3.13Å; C2257-L2261 VanDerWaalsContact O-CB 3.26Å; C2257-L2261 WeakPolarHBondContact O-CB 3.41Å; C2257-L2261 PolarHBondContact O-N 3.12Å |
| 2258 | L | 45.1 | Very low | 39.9 | Very low | 119.75 Ų | 119.75 | 110.4 Ų | 110.4 | 63% | 0.627 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -67.2 | -41.4 | 175 | -160.1 | 68.9 | 0 | 0 | 0 | 113 | L2260 L2261 L2262 | L2258-L2260 VanDerWaalsContact C-N 3.32Å; L2258-L2260 PolarHBondContact O-N 3.05Å; L2258-L2261 PolarHBondContact O-N 3.5Å; L2258-L2262 HydrophobicContact CD1-CD1 4.25Å; L2258-L2262 HydrophobicContact CG-CD1 4.2Å; L2258-L2262 WeakPolarHBondContact O-CB 2.98Å; L2258-L2262 VanDerWaalsContact O-CD1 3.27Å; L2258-L2262 WeakPolarHBondContact O-CD1 3.31Å; L2258-L2262 PolarHBondContact O-N 3.11Å |
| 2259 | P | 46.6 | Very low | 40 | Very low | 63.25 Ų | 63.25 | 110.2 Ų | 110.2 | 41% | 0.411 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66 | -30.8 | 172 | -11.4 | 19.3 | 0 | 0 | 0 | 113.8 | S2255 L2256 L2262 Q2263 | S2255-P2259 WeakPolarHBondContact O-CD 3.33Å; S2255-P2259 VanDerWaalsContact O-CG 3.28Å; S2255-P2259 WeakPolarHBondContact O-CG 3.17Å; L2256-P2259 WeakPolarHBondContact O-CD 3.41Å; L2256-P2259 WeakPolarHBondContact O-CG 3.19Å; P2259-L2262 CarbonylContact O-C 3.56Å; P2259-L2262 WeakPolarHBondContact O-CB 3.3Å; P2259-L2262 PolarHBondContact O-N 3.24Å; P2259-Q2263 VanDerWaalsContact O-CB 3.3Å; P2259-Q2263 WeakPolarHBondContact O-CB 3.33Å; P2259-Q2263 WeakPolarHBondContact O-CG 3.4Å; P2259-Q2263 PolarHBondContact O-N 3.05Å; P2259-Q2263 VanDerWaalsContact O-N 3.16Å; P2259-Q2263 PolarHBondContact O-OE1 3.19Å |
| 2260 | L | 46.2 | Very low | 40.1 | Very low | 97 Ų | 97 | 108 Ų | 108 | 51% | 0.508 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -77.2 | -34.8 | 178.5 | -164 | 70 | 0 | 0 | 0 | 112.1 | L2256 C2257 L2258 L2262 Q2263 L2264 | L2256-L2260 WeakPolarHBondContact O-CB 3.32Å; L2256-L2260 PolarHBondContact O-N 3.16Å; C2257-L2260 PolarHBondContact O-N 3.31Å; C2257-L2260 VanDerWaalsContact O-N 3.13Å; L2258-L2260 VanDerWaalsContact C-N 3.32Å; L2258-L2260 PolarHBondContact O-N 3.05Å; L2260-L2262 VanDerWaalsContact C-N 3.28Å; L2260-L2262 PolarHBondContact O-N 3.1Å; L2260-Q2263 HydrophobicContact CD1-CB 4.46Å; L2260-Q2263 CarbonylContact O-C 3.29Å; L2260-Q2263 VanDerWaalsContact O-C 3.29Å; L2260-Q2263 WeakPolarHBondContact O-CA 3.2Å; L2260-Q2263 PolarHBondContact O-N 3.12Å; L2260-L2264 HydrophobicContact CG-CD1 4.46Å; L2260-L2264 WeakPolarHBondContact O-CB 3.47Å; L2260-L2264 WeakPolarHBondContact O-CG 3.42Å; L2260-L2264 PolarHBondContact O-N 3.12Å; L2260-L2264 VanDerWaalsContact O-N 3.07Å |
| 2261 | L | 45.7 | Very low | 40.3 | Very low | 98.25 Ų | 98.25 | 110 Ų | 110 | 51% | 0.514 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.8 | -33.6 | 170.4 | -160 | 71.3 | 0 | 0 | 0 | 111.4 | C2257 L2258 Q2263 L2264 L2265 | C2257-L2261 VanDerWaalsContact O-CB 3.26Å; C2257-L2261 WeakPolarHBondContact O-CB 3.41Å; C2257-L2261 PolarHBondContact O-N 3.12Å; L2258-L2261 PolarHBondContact O-N 3.5Å; L2261-Q2263 VanDerWaalsContact C-N 3.35Å; L2261-Q2263 PolarHBondContact O-N 2.87Å; L2261-L2264 CarbonylContact O-C 3.56Å; L2261-L2264 PolarHBondContact O-N 3.13Å; L2261-L2265 HydrophobicContact CD2-CD1 4.45Å; L2261-L2265 HydrophobicContact CG-CD1 4.25Å; L2261-L2265 VanDerWaalsContact O-CB 3.32Å; L2261-L2265 WeakPolarHBondContact O-CB 3.32Å; L2261-L2265 VanDerWaalsContact O-CG 3.24Å; L2261-L2265 WeakPolarHBondContact O-CG 3.39Å; L2261-L2265 PolarHBondContact O-N 3.17Å; L2261-L2265 VanDerWaalsContact O-N 3.13Å |
| 2262 | L | 47.2 | Very low | 40.6 | Very low | 105 Ų | 105 | 107.4 Ų | 107.4 | 55% | 0.55 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.8 | -35.9 | 168.7 | -100.9 | 72.3 | 0 | 0 | 0 | 112.2 | L2258 P2259 L2260 L2264 L2265 S2266 | L2258-L2262 HydrophobicContact CD1-CD1 4.25Å; L2258-L2262 HydrophobicContact CG-CD1 4.2Å; L2258-L2262 WeakPolarHBondContact O-CB 2.98Å; L2258-L2262 VanDerWaalsContact O-CD1 3.27Å; L2258-L2262 WeakPolarHBondContact O-CD1 3.31Å; L2258-L2262 PolarHBondContact O-N 3.11Å; P2259-L2262 CarbonylContact O-C 3.56Å; P2259-L2262 WeakPolarHBondContact O-CB 3.3Å; P2259-L2262 PolarHBondContact O-N 3.24Å; L2260-L2262 VanDerWaalsContact C-N 3.28Å; L2260-L2262 PolarHBondContact O-N 3.1Å; L2262-L2264 PolarHBondContact O-N 2.74Å; L2262-L2265 CarbonylContact O-C 3.51Å; L2262-L2265 WeakPolarHBondContact O-CA 3.3Å; L2262-L2265 PolarHBondContact O-N 3.04Å; L2262-S2266 CarbonylContact O-C 3.48Å; L2262-S2266 WeakPolarHBondContact O-CA 3.32Å; L2262-S2266 VanDerWaalsContact O-CB 3.27Å; L2262-S2266 WeakPolarHBondContact O-CB 3.45Å; L2262-S2266 PolarHBondContact O-N 3.01Å; L2262-S2266 VanDerWaalsContact O-N 3.17Å; L2262-S2266 PolarHBondContact O-OG 2.95Å; L2262-S2266 VanDerWaalsContact O-OG 3.13Å |
| 2263 | Q | 44.2 | Very low | 41.3 | Very low | 122.25 Ų | 122.25 | 105 Ų | 105 | 57% | 0.571 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -72.2 | -21.5 | 173.1 | -76 | 177.5 | -28.3 | 0 | 0 | 112.9 | P2259 L2260 L2261 L2265 S2266 S2267 | P2259-Q2263 VanDerWaalsContact O-CB 3.3Å; P2259-Q2263 WeakPolarHBondContact O-CB 3.33Å; P2259-Q2263 WeakPolarHBondContact O-CG 3.4Å; P2259-Q2263 PolarHBondContact O-N 3.05Å; P2259-Q2263 VanDerWaalsContact O-N 3.16Å; P2259-Q2263 PolarHBondContact O-OE1 3.19Å; L2260-Q2263 HydrophobicContact CD1-CB 4.46Å; L2260-Q2263 CarbonylContact O-C 3.29Å; L2260-Q2263 VanDerWaalsContact O-C 3.29Å; L2260-Q2263 WeakPolarHBondContact O-CA 3.2Å; L2260-Q2263 PolarHBondContact O-N 3.12Å; L2261-Q2263 VanDerWaalsContact C-N 3.35Å; L2261-Q2263 PolarHBondContact O-N 2.87Å; Q2263-L2265 PolarHBondContact O-N 3.37Å; Q2263-S2266 WeakPolarHBondContact CA-OG 3.47Å; Q2263-S2266 CarbonylContact O-C 3.33Å; Q2263-S2266 PolarHBondContact O-N 3.2Å; Q2263-S2266 PolarHBondContact O-OG 3.3Å; Q2263-S2267 VanDerWaalsContact O-CB 3.25Å; Q2263-S2267 WeakPolarHBondContact O-CB 3.43Å; Q2263-S2267 PolarHBondContact O-N 2.97Å; Q2263-S2267 PolarHBondContact O-OG 3.22Å |
| 2264 | L | 41.8 | Very low | 42.1 | Very low | 101.75 Ų | 101.75 | 98.8 Ų | 98.8 | 53% | 0.533 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -84 | -32.4 | 169.5 | -74.2 | 163.9 | 0 | 0 | 0 | 112.3 | L2260 L2261 L2262 S2266 S2267 T2268 | L2260-L2264 HydrophobicContact CG-CD1 4.46Å; L2260-L2264 WeakPolarHBondContact O-CB 3.47Å; L2260-L2264 WeakPolarHBondContact O-CG 3.42Å; L2260-L2264 PolarHBondContact O-N 3.12Å; L2260-L2264 VanDerWaalsContact O-N 3.07Å; L2261-L2264 CarbonylContact O-C 3.56Å; L2261-L2264 PolarHBondContact O-N 3.13Å; L2262-L2264 PolarHBondContact O-N 2.74Å; L2264-S2266 VanDerWaalsContact C-N 3.29Å; L2264-S2266 PolarHBondContact O-N 2.88Å; L2264-S2267 WeakPolarHBondContact CA-OG 3.24Å; L2264-S2267 PolarHBondContact O-N 3.3Å; L2264-S2267 PolarHBondContact O-OG 3.19Å; L2264-T2268 VanDerWaalsContact O-CG2 3.24Å; L2264-T2268 WeakPolarHBondContact O-CG2 3.4Å; L2264-T2268 PolarHBondContact O-N 3.09Å; L2264-T2268 PolarHBondContact O-OG1 2.86Å |
| 2265 | L | 40.2 | Very low | 43.5 | Very low | 89.25 Ų | 89.25 | 100.8 Ų | 100.8 | 47% | 0.467 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -83.1 | -20.5 | 173.9 | -70.1 | 167.5 | 0 | 0 | 0 | 113.2 | I1964 P1965 L2261 L2262 Q2263 T2268 L2269 | I1964-L2265 HydrophobicContact CB-CD2 4.46Å; I1964-L2265 HydrophobicContact CD1-CD1 3.93Å; I1964-L2265 HydrophobicContact CG1-CD1 3.68Å; I1964-L2265 HydrophobicContact CG1-CD2 3.73Å; I1964-L2265 HydrophobicContact CG1-CG 4.37Å; P1965-L2265 HydrophobicContact CG-CD2 3.93Å; L2261-L2265 HydrophobicContact CD2-CD1 4.45Å; L2261-L2265 HydrophobicContact CG-CD1 4.25Å; L2261-L2265 VanDerWaalsContact O-CB 3.32Å; L2261-L2265 WeakPolarHBondContact O-CB 3.32Å; L2261-L2265 VanDerWaalsContact O-CG 3.24Å; L2261-L2265 WeakPolarHBondContact O-CG 3.39Å; L2261-L2265 PolarHBondContact O-N 3.17Å; L2261-L2265 VanDerWaalsContact O-N 3.13Å; L2262-L2265 CarbonylContact O-C 3.51Å; L2262-L2265 WeakPolarHBondContact O-CA 3.3Å; L2262-L2265 PolarHBondContact O-N 3.04Å; Q2263-L2265 PolarHBondContact O-N 3.37Å; L2265-T2268 WeakPolarHBondContact CA-OG1 3.37Å; L2265-T2268 PolarHBondContact O-N 2.95Å; L2265-T2268 PolarHBondContact O-OG1 3.19Å; L2265-L2269 WeakPolarHBondContact O-CD1 3.44Å; L2265-L2269 PolarHBondContact O-N 3.26Å |
| 2266 | S | 39.7 | Very low | 45.3 | Very low | 60.75 Ų | 60.75 | 98.4 Ų | 98.4 | 43% | 0.425 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -101.2 | -6.4 | 173.6 | 71.5 | 0 | 0 | 0 | 0 | 112.7 | L2262 Q2263 L2264 T2268 L2269 T2270 | L2262-S2266 CarbonylContact O-C 3.48Å; L2262-S2266 WeakPolarHBondContact O-CA 3.32Å; L2262-S2266 VanDerWaalsContact O-CB 3.27Å; L2262-S2266 WeakPolarHBondContact O-CB 3.45Å; L2262-S2266 PolarHBondContact O-N 3.01Å; L2262-S2266 VanDerWaalsContact O-N 3.17Å; L2262-S2266 PolarHBondContact O-OG 2.95Å; L2262-S2266 VanDerWaalsContact O-OG 3.13Å; Q2263-S2266 WeakPolarHBondContact CA-OG 3.47Å; Q2263-S2266 CarbonylContact O-C 3.33Å; Q2263-S2266 PolarHBondContact O-N 3.2Å; Q2263-S2266 PolarHBondContact O-OG 3.3Å; L2264-S2266 VanDerWaalsContact C-N 3.29Å; L2264-S2266 PolarHBondContact O-N 2.88Å; S2266-T2268 VanDerWaalsContact C-N 3.32Å; S2266-T2268 PolarHBondContact O-N 3.4Å; S2266-L2269 CarbonylContact C-O 3.56Å; S2266-L2269 VanDerWaalsContact CA-O 3.3Å; S2266-L2269 WeakPolarHBondContact CA-O 3.22Å; S2266-L2269 CarbonylContact O-C 3.38Å; S2266-L2269 VanDerWaalsContact O-C 3.31Å; S2266-L2269 PolarHBondContact O-N 3.42Å; S2266-T2270 WeakPolarHBondContact O-CA 3.45Å; S2266-T2270 VanDerWaalsContact O-CB 3.3Å; S2266-T2270 WeakPolarHBondContact O-CB 3.3Å; S2266-T2270 WeakPolarHBondContact O-CG2 3.41Å; S2266-T2270 PolarHBondContact O-N 3.22Å; S2266-T2270 PolarHBondContact O-OG1 3.33Å |
| 2267 | S | 37.5 | Very low | 46.9 | Very low | 71.5 Ų | 71.5 | 93.1 Ų | 93.1 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -93.7 | -11.2 | 164.5 | 63.2 | 0 | 0 | 0 | 0 | 113 | Q2263 L2264 L2269 T2270 | Q2263-S2267 VanDerWaalsContact O-CB 3.25Å; Q2263-S2267 WeakPolarHBondContact O-CB 3.43Å; Q2263-S2267 PolarHBondContact O-N 2.97Å; Q2263-S2267 PolarHBondContact O-OG 3.22Å; L2264-S2267 WeakPolarHBondContact CA-OG 3.24Å; L2264-S2267 PolarHBondContact O-N 3.3Å; L2264-S2267 PolarHBondContact O-OG 3.19Å; S2267-L2269 VanDerWaalsContact C-N 3.3Å; S2267-T2270 VanDerWaalsContact CA-OG1 3.32Å; S2267-T2270 WeakPolarHBondContact CA-OG1 3Å |
| 2268 | T | 36.8 | Very low | 48.6 | Very low | 98.25 Ų | 98.25 | 96.5 Ų | 96.5 | 60% | 0.603 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -92.8 | -8.1 | 164.3 | 50.8 | 0 | 0 | 0 | 0 | 113.4 | L2264 L2265 S2266 | L2264-T2268 VanDerWaalsContact O-CG2 3.24Å; L2264-T2268 WeakPolarHBondContact O-CG2 3.4Å; L2264-T2268 PolarHBondContact O-N 3.09Å; L2264-T2268 PolarHBondContact O-OG1 2.86Å; L2265-T2268 WeakPolarHBondContact CA-OG1 3.37Å; L2265-T2268 PolarHBondContact O-N 2.95Å; L2265-T2268 PolarHBondContact O-OG1 3.19Å; S2266-T2268 VanDerWaalsContact C-N 3.32Å; S2266-T2268 PolarHBondContact O-N 3.4Å |
| 2269 | L | 35.6 | Very low | 49.9 | Very low | 136.25 Ų | 136.25 | 94.1 Ų | 94.1 | 71% | 0.713 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -118.6 | 33.3 | 174.4 | -92.6 | 112.9 | 0 | 0 | 0 | 112.1 | L2265 S2266 S2267 | L2265-L2269 WeakPolarHBondContact O-CD1 3.44Å; L2265-L2269 PolarHBondContact O-N 3.26Å; S2266-L2269 CarbonylContact C-O 3.56Å; S2266-L2269 VanDerWaalsContact CA-O 3.3Å; S2266-L2269 WeakPolarHBondContact CA-O 3.22Å; S2266-L2269 CarbonylContact O-C 3.38Å; S2266-L2269 VanDerWaalsContact O-C 3.31Å; S2266-L2269 PolarHBondContact O-N 3.42Å; S2267-L2269 VanDerWaalsContact C-N 3.3Å |
| 2270 | T | 36.1 | Very low | 51.4 | Low | 100.75 Ų | 100.75 | 91.8 Ų | 91.8 | 62% | 0.618 | 49% | 0.492 | S | S | * | . | trans | -131.7 | 75.1 | 168.9 | 36.4 | 0 | 0 | 0 | 0 | 111.3 | S2266 S2267 G2272 | S2266-T2270 WeakPolarHBondContact O-CA 3.45Å; S2266-T2270 VanDerWaalsContact O-CB 3.3Å; S2266-T2270 WeakPolarHBondContact O-CB 3.3Å; S2266-T2270 WeakPolarHBondContact O-CG2 3.41Å; S2266-T2270 PolarHBondContact O-N 3.22Å; S2266-T2270 PolarHBondContact O-OG1 3.33Å; S2267-T2270 VanDerWaalsContact CA-OG1 3.32Å; S2267-T2270 WeakPolarHBondContact CA-OG1 3Å; T2270-G2272 PolarHBondContact O-N 3.23Å | ||
| 2271 | R | 35.6 | Very low | 53 | Low | 228.5 Ų | 228.5 | 91 Ų | 91 | 86% | 0.862 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -99.4 | 124.6 | 155.4 | -79.8 | 170.4 | 175.3 | 176.6 | -2.9 | 108.4 | E2273 | R2271-E2273 PolarHBondContact O-N 3.23Š|
| 2272 | G | 39.2 | Very low | 54.4 | Low | 42 Ų | 42 | 95.3 Ų | 95.3 | 43% | 0.433 | 50% | 0.502 | S | S | . | . | trans | -80.4 | 83.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T2270 G2274 | T2270-G2272 PolarHBondContact O-N 3.23Å; G2272-G2274 PolarHBondContact O-N 2.97Å | ||
| 2273 | E | 48 | Very low | 55.7 | Low | 133 Ų | 133 | 94.9 Ų | 94.9 | 62% | 0.621 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -79.6 | 120.1 | 170.9 | -65.5 | -176.5 | 162.1 | 0 | 0 | 108.9 | R2271 F2275 V2316 K2339 | R2271-E2273 PolarHBondContact O-N 3.23Å; E2273-F2275 HydrophobicContact CB-CD2 3.56Å; E2273-F2275 HydrophobicContact CB-CE2 3.65Å; E2273-F2275 VanDerWaalsContact CB-CE2 3.47Å; E2273-F2275 HydrophobicContact CG-CE2 4.34Å; E2273-F2275 PolarHBondContact O-N 3.35Å; E2273-V2316 HydrophobicContact CB-CB 4.31Å; E2273-V2316 HydrophobicContact CB-CG2 4.06Å; E2273-V2316 HydrophobicContact CG-CG2 4.41Å; E2273-V2316 WeakPolarHBondContact OE2-CG2 3.45Å; E2273-K2339 IonicContact OE1-NZ 3.31Å; E2273-K2339 PolarHBondContact OE1-NZ 3.3Å; E2273-K2339 IonicContact OE2-NZ 2.58Å; E2273-K2339 PolarHBondContact OE2-NZ 3.06Å |
| 2274 | G | 53.4 | Low | 57.4 | Low | 6.75 Ų | 6.75 | 89.7 Ų | 89.7 | 7% | 0.07 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -17 | 17.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116 | G2272 S2289 Y2290 A2294 | G2272-G2274 PolarHBondContact O-N 2.97Å; G2274-S2289 VanDerWaalsContact O-CA 3.31Å; G2274-S2289 WeakPolarHBondContact O-CA 3.41Å; G2274-S2289 VanDerWaalsContact O-CB 3.29Å; G2274-S2289 WeakPolarHBondContact O-CB 3.47Å; G2274-Y2290 WeakPolarHBondContact CA-O 3.47Å; G2274-Y2290 PolarHBondContact O-N 3.29Å; G2274-A2294 WeakPolarHBondContact O-CA 3.21Å; G2274-A2294 PolarHBondContact O-N 2.92Å |
| 2275 | F | 67.7 | Low | 59.7 | Low | 134.75 Ų | 134.75 | 85.2 Ų | 85.2 | 59% | 0.591 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -82.2 | 150.7 | 175.6 | -68 | -72.2 | 0 | 0 | 0 | 112.2 | E2273 S2289 L2315 | E2273-F2275 HydrophobicContact CB-CD2 3.56Å; E2273-F2275 HydrophobicContact CB-CE2 3.65Å; E2273-F2275 VanDerWaalsContact CB-CE2 3.47Å; E2273-F2275 HydrophobicContact CG-CE2 4.34Å; E2273-F2275 PolarHBondContact O-N 3.35Å; F2275-S2289 WeakPolarHBondContact CA-OG 3.42Å; F2275-L2315 WeakPolarHBondContact O-CD1 3.34Å |
| 2276 | C | 80 | Confident | 61.9 | Low | 37.25 Ų | 37.25 | 84.2 Ų | 84.2 | 25% | 0.252 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 137.3 | 172.1 | -65.7 | 0 | 0 | 0 | 0 | 110.8 | C2287 L2288 S2289 | C2276-C2287 VanDerWaalsContact CA-SG 3.56Å; C2276-C2287 WeakPolarHBondContact CA-SG 3.42Å; C2276-C2287 HydrophobicContact CB-CB 3.77Å; C2276-C2287 WeakPolarHBondContact CB-SG 3.35Å; C2276-C2287 WeakPolarHBondContact SG-CB 3.37Å; C2276-C2287 PolarHBondContact SG-O 2.93Å; C2276-C2287 CovalentContact SG-SG 2.03Å; C2276-C2287 PolarHBondContact SG-SG 3.22Å; C2276-L2288 VanDerWaalsContact SG-C 3.55Å; C2276-L2288 PolarHBondContact SG-N 3.09Å; C2276-L2288 VanDerWaalsContact SG-N 3.43Å; C2276-S2289 PolarHBondContact N-OG 3.18Å; C2276-S2289 PolarHBondContact SG-OG 3.13Å |
| 2277 | P | 77.4 | Confident | 64.3 | Low | 16.75 Ų | 16.75 | 82.8 Ų | 82.8 | 11% | 0.109 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -80.4 | 139.5 | 178.5 | 30.3 | -30 | 0 | 0 | 0 | 111.4 | T2279 L2280 L2310 E2313 L2315 | P2277-T2279 PolarHBondContact O-N 3.16Å; P2277-T2279 VanDerWaalsContact O-N 3.15Å; P2277-L2280 HydrophobicContact CG-CB 4.38Å; P2277-L2280 WeakPolarHBondContact O-CB 3.48Å; P2277-L2280 PolarHBondContact O-N 2.93Å; P2277-L2310 HydrophobicContact CG-CD2 3.51Å; P2277-L2310 VanDerWaalsContact CG-CD2 3.44Å; P2277-E2313 WeakPolarHBondContact CB-OE1 3.48Å; P2277-E2313 VanDerWaalsContact CB-OE2 3.29Å; P2277-E2313 WeakPolarHBondContact CB-OE2 3.36Å; P2277-E2313 VanDerWaalsContact CG-OE2 3.31Å; P2277-E2313 WeakPolarHBondContact CG-OE2 3.39Å; P2277-L2315 HydrophobicContact CB-CD1 4.38Å; P2277-L2315 HydrophobicContact CG-CD2 4.18Å |
| 2278 | D | 76.1 | Confident | 66.5 | Low | 164 Ų | 164 | 83.5 Ų | 83.5 | 88% | 0.877 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -9.9 | 179.5 | -67.3 | -51.2 | 0 | 0 | 0 | 113.7 | ||
| 2279 | T | 73.7 | Confident | 68.7 | Low | 69.5 Ų | 69.5 | 81.4 Ų | 81.4 | 43% | 0.426 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -13 | -178.5 | 56.1 | 0 | 0 | 0 | 0 | 114.2 | P2277 K2309 E2313 | P2277-T2279 PolarHBondContact O-N 3.16Å; P2277-T2279 VanDerWaalsContact O-N 3.15Å; T2279-K2309 WeakPolarHBondContact O-CD 3.32Å; T2279-K2309 PolarHBondContact O-NZ 3.19Å; T2279-K2309 VanDerWaalsContact O-NZ 3.16Å; T2279-E2313 WeakPolarHBondContact CB-OE1 3.28Å; T2279-E2313 VanDerWaalsContact CG2-OE1 3.32Å; T2279-E2313 WeakPolarHBondContact CG2-OE1 3.27Å; T2279-E2313 PolarHBondContact OG1-OE1 2.95Å |
| 2280 | L | 78 | Confident | 70.6 | Confident | 15 Ų | 15 | 78 Ų | 78 | 8% | 0.079 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -77.1 | 128.2 | -176.2 | -165.9 | 72.4 | 0 | 0 | 0 | 111 | P2277 K2282 C2285 C2287 I2296 E2306 L2310 | P2277-L2280 HydrophobicContact CG-CB 4.38Å; P2277-L2280 WeakPolarHBondContact O-CB 3.48Å; P2277-L2280 PolarHBondContact O-N 2.93Å; L2280-K2282 PolarHBondContact O-N 3.07Å; L2280-C2285 HydrophobicContact CD1-CB 3.89Å; L2280-C2285 HydrophobicContact CD2-CB 3.66Å; L2280-C2285 HydrophobicContact CG-CB 3.71Å; L2280-C2287 HydrophobicContact CD2-CB 3.85Å; L2280-I2296 HydrophobicContact CD2-CG2 4.13Å; L2280-E2306 HydrophobicContact CD1-CB 4.01Å; L2280-E2306 HydrophobicContact CD1-CG 4.49Å; L2280-L2310 HydrophobicContact CD1-CD1 4.37Å; L2280-L2310 HydrophobicContact CD1-CD2 4.26Å; L2280-L2310 HydrophobicContact CD1-CG 4.29Å |
| 2281 | D | 78.2 | Confident | 72.3 | Confident | 80 Ų | 80 | 82 Ų | 82 | 43% | 0.428 | 44% | 0.441 | S | S | . | . | trans | -71.3 | 117.9 | 176.6 | -163.5 | -27.8 | 0 | 0 | 0 | 110.9 | A2283 A2284 C2285 E2306 | D2281-A2283 PolarHBondContact O-N 3.17Å; D2281-A2283 VanDerWaalsContact O-N 3.16Å; D2281-A2283 VanDerWaalsContact OD1-CB 3.32Å; D2281-A2283 WeakPolarHBondContact OD1-CB 3.3Å; D2281-A2283 PolarHBondContact OD1-N 3.05Å; D2281-A2284 HydrophobicContact CB-CB 4.45Å; D2281-A2284 PolarHBondContact O-N 3.23Å; D2281-A2284 VanDerWaalsContact O-N 3.08Å; D2281-C2285 PolarHBondContact O-N 3.3Å; D2281-E2306 WeakPolarHBondContact CB-OE2 3.31Å; D2281-E2306 PolarHBondContact N-OE2 3.2Å | ||
| 2282 | K | 76.3 | Confident | 74.1 | Confident | 188 Ų | 188 | 74.1 Ų | 74.1 | 82% | 0.817 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -12.3 | -179.5 | -62.7 | -179.9 | -177.5 | 176.1 | 0 | 113.3 | L2280 | L2280-K2282 PolarHBondContact O-N 3.07Š|
| 2283 | A | 74.8 | Confident | 76 | Confident | 95.75 Ų | 95.75 | 72.2 Ų | 72.2 | 79% | 0.791 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -36.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D2281 | D2281-A2283 PolarHBondContact O-N 3.17Å; D2281-A2283 VanDerWaalsContact O-N 3.16Å; D2281-A2283 VanDerWaalsContact OD1-CB 3.32Å; D2281-A2283 WeakPolarHBondContact OD1-CB 3.3Å; D2281-A2283 PolarHBondContact OD1-N 3.05Å |
| 2284 | A | 80.2 | Confident | 77.8 | Confident | 14.5 Ų | 14.5 | 65.8 Ų | 65.8 | 12% | 0.12 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -30.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | D2281 C2298 K2299 D2302 E2306 | D2281-A2284 HydrophobicContact CB-CB 4.45Å; D2281-A2284 PolarHBondContact O-N 3.23Å; D2281-A2284 VanDerWaalsContact O-N 3.08Å; A2284-C2298 WeakPolarHBondContact O-CA 3.35Å; A2284-K2299 PolarHBondContact O-N 2.91Å; A2284-D2302 HydrophobicContact CB-CB 4.16Å; A2284-E2306 HydrophobicContact CB-CG 4.16Å |
| 2285 | C | 88.7 | Confident | 79.5 | Confident | 6 Ų | 6 | 66 Ų | 66 | 4% | 0.041 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 134.8 | -175.4 | -56.4 | 0 | 0 | 0 | 0 | 113.2 | L2280 D2281 R2297 C2298 E2306 | L2280-C2285 HydrophobicContact CD1-CB 3.89Å; L2280-C2285 HydrophobicContact CD2-CB 3.66Å; L2280-C2285 HydrophobicContact CG-CB 3.71Å; D2281-C2285 PolarHBondContact O-N 3.3Å; C2285-R2297 CarbonylContact C-O 3.12Å; C2285-R2297 WeakPolarHBondContact CA-O 3.37Å; C2285-C2298 HydrophobicContact CB-CB 4.02Å; C2285-C2298 WeakPolarHBondContact CB-SG 3.32Å; C2285-C2298 WeakPolarHBondContact SG-CB 3.24Å; C2285-C2298 CovalentContact SG-SG 2.03Å; C2285-C2298 PolarHBondContact SG-SG 2.98Å; C2285-E2306 VanDerWaalsContact SG-CB 3.53Å |
| 2286 | S | 88 | Confident | 80.6 | Confident | 68.5 Ų | 68.5 | 59.5 Ų | 59.5 | 48% | 0.479 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 149.3 | 163.2 | 65.3 | 0 | 0 | 0 | 0 | 110.4 | I2296 R2297 | S2286-I2296 WeakPolarHBondContact O-CA 3.29Å; S2286-R2297 PolarHBondContact N-O 3.1Å; S2286-R2297 PolarHBondContact O-N 2.74Å; S2286-R2297 PolarHBondContact OG-O 2.83Å |
| 2287 | C | 88.7 | Confident | 81.2 | Confident | 32.25 Ų | 32.25 | 62.6 Ų | 62.6 | 22% | 0.218 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 139.8 | 173.6 | 178.8 | 0 | 0 | 0 | 0 | 111.9 | C2276 L2280 V2295 I2296 | C2276-C2287 VanDerWaalsContact CA-SG 3.56Å; C2276-C2287 WeakPolarHBondContact CA-SG 3.42Å; C2276-C2287 HydrophobicContact CB-CB 3.77Å; C2276-C2287 WeakPolarHBondContact CB-SG 3.35Å; C2276-C2287 WeakPolarHBondContact SG-CB 3.37Å; C2276-C2287 PolarHBondContact SG-O 2.93Å; C2276-C2287 CovalentContact SG-SG 2.03Å; C2276-C2287 PolarHBondContact SG-SG 3.22Å; L2280-C2287 HydrophobicContact CD2-CB 3.85Å; C2287-V2295 CarbonylContact C-O 3.4Å; C2287-V2295 VanDerWaalsContact CA-O 3.28Å; C2287-V2295 WeakPolarHBondContact CA-O 3.34Å; C2287-I2296 HydrophobicContact CB-CG1 4.19Å |
| 2288 | L | 84.7 | Confident | 81.8 | Confident | 84.75 Ų | 84.75 | 61.8 Ų | 61.8 | 44% | 0.444 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 131.9 | 173.8 | -63.7 | 174.3 | 0 | 0 | 0 | 109.8 | P1793 C2276 Y2290 V2295 | P1793-L2288 HydrophobicContact CG-CD1 4.41Å; C2276-L2288 VanDerWaalsContact SG-C 3.55Å; C2276-L2288 PolarHBondContact SG-N 3.09Å; C2276-L2288 VanDerWaalsContact SG-N 3.43Å; L2288-Y2290 HydrophobicContact CB-CD2 4.44Å; L2288-Y2290 HydrophobicContact CB-CE2 3.69Å; L2288-V2295 HydrophobicContact CB-CB 4.41Å; L2288-V2295 PolarHBondContact N-O 2.98Å; L2288-V2295 PolarHBondContact O-N 3.18Å |
| 2289 | S | 82 | Confident | 82.3 | Confident | 54.5 Ų | 54.5 | 57.9 Ų | 57.9 | 38% | 0.381 | 31% | 0.314 | S | S | . | . | trans | -91.4 | 129.5 | -178.4 | -56.2 | 0 | 0 | 0 | 0 | 111.4 | G2274 F2275 C2276 | G2274-S2289 VanDerWaalsContact O-CA 3.31Å; G2274-S2289 WeakPolarHBondContact O-CA 3.41Å; G2274-S2289 VanDerWaalsContact O-CB 3.29Å; G2274-S2289 WeakPolarHBondContact O-CB 3.47Å; F2275-S2289 WeakPolarHBondContact CA-OG 3.42Å; C2276-S2289 PolarHBondContact N-OG 3.18Å; C2276-S2289 PolarHBondContact SG-OG 3.13Å | ||
| 2290 | Y | 75.6 | Confident | 82.8 | Confident | 65.5 Ų | 65.5 | 55.5 Ų | 55.5 | 26% | 0.257 | 30% | 0.303 | S | S | . | . | trans | -130.4 | 155.6 | 173.4 | -61.9 | -92.2 | 0 | 0 | 0 | 111.3 | P1793 G2274 L2288 D2292 G2293 V2295 H3066 | P1793-Y2290 WeakPolarHBondContact CB-OH 3.38Å; G2274-Y2290 WeakPolarHBondContact CA-O 3.47Å; G2274-Y2290 PolarHBondContact O-N 3.29Å; L2288-Y2290 HydrophobicContact CB-CD2 4.44Å; L2288-Y2290 HydrophobicContact CB-CE2 3.69Å; Y2290-D2292 WeakPolarHBondContact CB-OD1 3.39Å; Y2290-D2292 PolarHBondContact O-N 3.11Å; Y2290-D2292 VanDerWaalsContact O-N 3.12Å; Y2290-G2293 WeakPolarHBondContact CB-O 3.36Å; Y2290-G2293 PolarHBondContact N-O 3.25Å; Y2290-G2293 VanDerWaalsContact N-O 3.12Å; Y2290-G2293 PolarHBondContact O-N 2.96Å; Y2290-G2293 VanDerWaalsContact O-N 3.15Å; Y2290-V2295 HydrophobicContact CD2-CB 4.25Å; Y2290-V2295 HydrophobicContact CD2-CG2 3.65Å; Y2290-V2295 HydrophobicContact CE2-CB 3.98Å; Y2290-V2295 HydrophobicContact CE2-CG2 3.59Å; Y2290-H3066 AromaticContact CD1-CE1 3.8Å; Y2290-H3066 AromaticContact CE1-CE1 3.55Å; Y2290-H3066 AromaticContact CE1-NE2 3.71Å | ||
| 2291 | L | 72 | Confident | 83 | Confident | 183.75 Ų | 183.75 | 59.4 Ų | 59.4 | 96% | 0.962 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -20.5 | -180 | -67.4 | 170.7 | 0 | 0 | 0 | 114 | ||
| 2292 | D | 73.3 | Confident | 83.3 | Confident | 64 Ų | 64 | 60.4 Ų | 60.4 | 34% | 0.342 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 4.8 | 179.5 | 65.3 | -35.1 | 0 | 0 | 0 | 114.5 | Y2290 R2318 R2341 | Y2290-D2292 WeakPolarHBondContact CB-OD1 3.39Å; Y2290-D2292 PolarHBondContact O-N 3.11Å; Y2290-D2292 VanDerWaalsContact O-N 3.12Å; D2292-R2318 VanDerWaalsContact CG-CD 3.46Å; D2292-R2318 VanDerWaalsContact CG-NH1 3.34Å; D2292-R2318 WeakPolarHBondContact OD1-CD 3.33Å; D2292-R2318 IonicContact OD1-CZ 2.77Å; D2292-R2318 IonicContact OD1-NE 2.68Å; D2292-R2318 IonicContact OD1-NH1 3.18Å; D2292-R2318 PolarHBondContact OD1-NH1 2.89Å; D2292-R2318 VanDerWaalsContact OD1-NH1 3.16Å; D2292-R2318 WeakPolarHBondContact OD2-CD 3.39Å; D2292-R2318 IonicContact OD2-CZ 3.09Å; D2292-R2318 IonicContact OD2-NE 2.87Å; D2292-R2318 IonicContact OD2-NH1 3.19Å; D2292-R2318 PolarHBondContact OD2-NH1 3.08Å; D2292-R2318 VanDerWaalsContact OD2-NH1 3.16Å; D2292-R2341 IonicContact OD2-NH1 3.79Å |
| 2293 | G | 79.1 | Confident | 83.8 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | trans | 140.3 | 160.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y2290 V2316 R2318 | Y2290-G2293 WeakPolarHBondContact CB-O 3.36Å; Y2290-G2293 PolarHBondContact N-O 3.25Å; Y2290-G2293 VanDerWaalsContact N-O 3.12Å; Y2290-G2293 PolarHBondContact O-N 2.96Å; Y2290-G2293 VanDerWaalsContact O-N 3.15Å; G2293-V2316 CarbonylContact C-O 3.38Å; G2293-V2316 VanDerWaalsContact CA-O 3.27Å; G2293-V2316 WeakPolarHBondContact CA-O 3.39Å; G2293-R2318 WeakPolarHBondContact O-CB 3.38Å | ||
| 2294 | A | 86 | Confident | 84.3 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 144.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | G2274 I2296 L2315 V2316 I2317 R2318 E2319 | G2274-A2294 WeakPolarHBondContact O-CA 3.21Å; G2274-A2294 PolarHBondContact O-N 2.92Å; A2294-I2296 HydrophobicContact CB-CD1 4.39Å; A2294-I2296 HydrophobicContact CB-CG1 4.26Å; A2294-L2315 HydrophobicContact CB-CD1 4.49Å; A2294-L2315 HydrophobicContact CB-CD2 4.03Å; A2294-L2315 HydrophobicContact CB-CG 4.47Å; A2294-V2316 PolarHBondContact N-O 3.08Å; A2294-V2316 VanDerWaalsContact N-O 3.08Å; A2294-I2317 CarbonylContact O-C 3.41Å; A2294-I2317 WeakPolarHBondContact O-CA 3.49Å; A2294-I2317 WeakPolarHBondContact O-CG2 3.39Å; A2294-R2318 PolarHBondContact O-N 3.13Å; A2294-E2319 PolarHBondContact O-N 2.97Å |
| 2295 | V | 88.8 | Confident | 84.6 | Confident | 9.25 Ų | 9.25 | 55.7 Ų | 55.7 | 6% | 0.056 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 112 | 167 | 170.5 | 0 | 0 | 0 | 0 | 107.1 | C2287 L2288 Y2290 R2297 R2318 E2319 | C2287-V2295 CarbonylContact C-O 3.4Å; C2287-V2295 VanDerWaalsContact CA-O 3.28Å; C2287-V2295 WeakPolarHBondContact CA-O 3.34Å; L2288-V2295 HydrophobicContact CB-CB 4.41Å; L2288-V2295 PolarHBondContact N-O 2.98Å; L2288-V2295 PolarHBondContact O-N 3.18Å; Y2290-V2295 HydrophobicContact CD2-CB 4.25Å; Y2290-V2295 HydrophobicContact CD2-CG2 3.65Å; Y2290-V2295 HydrophobicContact CE2-CB 3.98Å; Y2290-V2295 HydrophobicContact CE2-CG2 3.59Å; V2295-R2297 HydrophobicContact CG1-CG 4.39Å; V2295-R2318 HydrophobicContact CG2-CB 4.3Å; V2295-R2318 HydrophobicContact CG2-CG 4.24Å; V2295-E2319 CarbonylContact C-O 3.17Å; V2295-E2319 WeakPolarHBondContact CA-O 3.39Å; V2295-E2319 HydrophobicContact CB-CB 4.42Å; V2295-E2319 HydrophobicContact CG1-CB 4.15Å; V2295-E2319 HydrophobicContact CG1-CG 4.49Å; V2295-E2319 HydrophobicContact CG2-CB 4.05Å |
| 2296 | I | 91.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 128 | -177.1 | -60.8 | 170.1 | 0 | 0 | 0 | 107.9 | L2280 S2286 C2287 A2294 L2310 L2315 I2317 E2319 L2320 A2321 | L2280-I2296 HydrophobicContact CD2-CG2 4.13Å; S2286-I2296 WeakPolarHBondContact O-CA 3.29Å; C2287-I2296 HydrophobicContact CB-CG1 4.19Å; A2294-I2296 HydrophobicContact CB-CD1 4.39Å; A2294-I2296 HydrophobicContact CB-CG1 4.26Å; I2296-L2310 HydrophobicContact CD1-CD1 3.81Å; I2296-L2310 HydrophobicContact CD1-CD2 3.97Å; I2296-L2310 HydrophobicContact CG2-CD1 4.38Å; I2296-L2315 HydrophobicContact CD1-CD2 4.05Å; I2296-I2317 HydrophobicContact CD1-CD1 4.17Å; I2296-I2317 HydrophobicContact CD1-CG1 4.25Å; I2296-E2319 PolarHBondContact N-O 2.95Å; I2296-L2320 HydrophobicContact CB-CD1 3.89Å; I2296-L2320 HydrophobicContact CG2-CD1 3.82Å; I2296-L2320 CarbonylContact O-C 3.32Å; I2296-L2320 WeakPolarHBondContact O-CA 3.29Å; I2296-A2321 PolarHBondContact O-N 2.69Å |
| 2297 | R | 91.8 | Very high | 84.3 | Confident | 101 Ų | 101 | 52.9 Ų | 52.9 | 38% | 0.381 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 111.1 | 175.5 | -54.3 | -166.1 | 167.2 | 159.4 | 1.6 | 110 | E1818 C2285 S2286 V2295 E2319 A2321 | E1818-R2297 IonicContact OE1-CZ 3.98Å; E1818-R2297 IonicContact OE1-NH1 3.32Å; E1818-R2297 PolarHBondContact OE1-NH1 3.32Å; E1818-R2297 VanDerWaalsContact OE1-NH1 3.14Å; E1818-R2297 IonicContact OE1-NH2 2.77Å; E1818-R2297 PolarHBondContact OE1-NH2 3.05Å; E1818-R2297 IonicContact OE2-CZ 2.63Å; E1818-R2297 IonicContact OE2-NH1 3.33Å; E1818-R2297 PolarHBondContact OE2-NH1 3.01Å; E1818-R2297 IonicContact OE2-NH2 2.97Å; E1818-R2297 PolarHBondContact OE2-NH2 2.95Å; C2285-R2297 CarbonylContact C-O 3.12Å; C2285-R2297 WeakPolarHBondContact CA-O 3.37Å; S2286-R2297 PolarHBondContact N-O 3.1Å; S2286-R2297 PolarHBondContact O-N 2.74Å; S2286-R2297 PolarHBondContact OG-O 2.83Å; V2295-R2297 HydrophobicContact CG1-CG 4.39Å; R2297-E2319 IonicContact CZ-OE1 3.03Å; R2297-E2319 VanDerWaalsContact CZ-OE1 3.27Å; R2297-E2319 IonicContact NE-OE1 2.73Å; R2297-E2319 PolarHBondContact NE-OE1 3.3Å; R2297-E2319 IonicContact NH2-OE1 2.86Å; R2297-E2319 PolarHBondContact NH2-OE1 3.16Å; R2297-A2321 WeakPolarHBondContact CA-O 3.36Å; R2297-A2321 HydrophobicContact CB-CB 4.12Å; R2297-A2321 HydrophobicContact CG-CB 3.82Å |
| 2298 | C | 91.4 | Very high | 84.1 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.007 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 145.2 | 178.4 | -60 | 0 | 0 | 0 | 0 | 110.8 | A2284 C2285 A2303 A2321 E2323 | A2284-C2298 WeakPolarHBondContact O-CA 3.35Å; C2285-C2298 HydrophobicContact CB-CB 4.02Å; C2285-C2298 WeakPolarHBondContact CB-SG 3.32Å; C2285-C2298 WeakPolarHBondContact SG-CB 3.24Å; C2285-C2298 CovalentContact SG-SG 2.03Å; C2285-C2298 PolarHBondContact SG-SG 2.98Å; C2298-A2303 HydrophobicContact CB-CB 3.5Å; C2298-A2303 VanDerWaalsContact CB-CB 3.48Å; C2298-A2321 PolarHBondContact N-O 3.06Å; C2298-E2323 PolarHBondContact O-N 3.09Å; C2298-E2323 VanDerWaalsContact O-N 3.12Å |
| 2299 | K | 86.6 | Confident | 84 | Confident | 80.75 Ų | 80.75 | 54.7 Ų | 54.7 | 35% | 0.351 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 154.9 | 174.8 | -72 | -164.5 | 171 | -135.5 | 0 | 111.6 | E1838 A2284 E2323 E2324 | E1838-K2299 IonicContact OE2-NZ 2.66Å; E1838-K2299 PolarHBondContact OE2-NZ 3.2Å; A2284-K2299 PolarHBondContact O-N 2.91Å; K2299-E2323 VanDerWaalsContact CA-O 3.31Å; K2299-E2323 WeakPolarHBondContact CA-O 3.24Å; K2299-E2323 VanDerWaalsContact CE-OE2 3.22Å; K2299-E2323 WeakPolarHBondContact CE-OE2 3.35Å; K2299-E2323 HydrophobicContact CG-CB 4.41Å; K2299-E2323 IonicContact NZ-OE2 3.31Å; K2299-E2323 PolarHBondContact NZ-OE2 2.94Å; K2299-E2324 WeakPolarHBondContact CD-OE2 3.13Å; K2299-E2324 WeakPolarHBondContact CE-OE2 3.3Å; K2299-E2324 IonicContact NZ-OE1 3.19Å; K2299-E2324 PolarHBondContact NZ-OE1 3.14Å; K2299-E2324 IonicContact NZ-OE2 3.54Å; K2299-E2324 PolarHBondContact NZ-OE2 3.12Å |
| 2300 | G | 83.5 | Confident | 84.1 | Confident | 19.25 Ų | 19.25 | 52.1 Ų | 52.1 | 20% | 0.198 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 78.9 | 176.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | D2302 A2303 E2323 E2324 A2325 | G2300-D2302 VanDerWaalsContact C-N 3.26Å; G2300-D2302 PolarHBondContact O-N 2.92Å; G2300-D2302 VanDerWaalsContact O-N 3.16Å; G2300-A2303 VanDerWaalsContact O-CB 3.31Å; G2300-A2303 WeakPolarHBondContact O-CB 3.38Å; G2300-A2303 PolarHBondContact O-N 2.95Å; G2300-A2303 VanDerWaalsContact O-N 3.16Å; G2300-E2323 PolarHBondContact N-O 3.39Å; G2300-E2324 VanDerWaalsContact CA-O 3.25Å; G2300-E2324 WeakPolarHBondContact CA-O 3.28Å; G2300-E2324 PolarHBondContact N-O 3.18Å; G2300-E2324 VanDerWaalsContact N-O 3.14Å; G2300-A2325 WeakPolarHBondContact O-CA 3.3Å; G2300-A2325 VanDerWaalsContact O-CB 3.27Å; G2300-A2325 WeakPolarHBondContact O-CB 3.39Å |
| 2301 | P | 82.6 | Confident | 84.4 | Confident | 98 Ų | 98 | 50.8 Ų | 50.8 | 64% | 0.636 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -17.6 | -165.2 | 27.7 | -36.6 | 0 | 0 | 0 | 114.8 | A2303 P2304 | P2301-A2303 VanDerWaalsContact C-N 3.33Å; P2301-P2304 VanDerWaalsContact O-CD 3.28Å; P2301-P2304 WeakPolarHBondContact O-CD 3.32Å |
| 2302 | D | 84.9 | Confident | 84.6 | Confident | 99.75 Ų | 99.75 | 50 Ų | 50 | 53% | 0.533 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -13.1 | 178.7 | -61.9 | -59.5 | 0 | 0 | 0 | 113.2 | A2284 G2300 P2304 Y2305 E2306 | A2284-D2302 HydrophobicContact CB-CB 4.16Å; G2300-D2302 VanDerWaalsContact C-N 3.26Å; G2300-D2302 PolarHBondContact O-N 2.92Å; G2300-D2302 VanDerWaalsContact O-N 3.16Å; D2302-P2304 VanDerWaalsContact C-CD 3.44Å; D2302-P2304 VanDerWaalsContact C-N 3.33Å; D2302-Y2305 WeakPolarHBondContact O-CB 3.42Å; D2302-Y2305 PolarHBondContact O-N 3.18Å; D2302-E2306 PolarHBondContact O-N 3.15Å; D2302-E2306 VanDerWaalsContact O-N 3.13Å |
| 2303 | A | 85.7 | Confident | 84.4 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -53.3 | -39.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | C2298 G2300 P2301 Y2305 E2306 I2307 I2322 A2325 | C2298-A2303 HydrophobicContact CB-CB 3.5Å; C2298-A2303 VanDerWaalsContact CB-CB 3.48Å; G2300-A2303 VanDerWaalsContact O-CB 3.31Å; G2300-A2303 WeakPolarHBondContact O-CB 3.38Å; G2300-A2303 PolarHBondContact O-N 2.95Å; G2300-A2303 VanDerWaalsContact O-N 3.16Å; P2301-A2303 VanDerWaalsContact C-N 3.33Å; A2303-Y2305 VanDerWaalsContact C-N 3.31Å; A2303-Y2305 PolarHBondContact O-N 3.15Å; A2303-E2306 PolarHBondContact O-N 3.22Å; A2303-I2307 WeakPolarHBondContact O-CD1 3.32Å; A2303-I2307 VanDerWaalsContact O-CG1 3.3Å; A2303-I2307 WeakPolarHBondContact O-CG1 3.33Å; A2303-I2307 PolarHBondContact O-N 2.99Å; A2303-I2307 VanDerWaalsContact O-N 3.16Å; A2303-I2322 HydrophobicContact CB-CG2 4.05Å; A2303-A2325 HydrophobicContact CB-CB 3.95Å |
| 2304 | P | 85.3 | Confident | 83.9 | Confident | 51 Ų | 51 | 56.9 Ų | 56.9 | 33% | 0.331 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.7 | -33.4 | 174.4 | -22.8 | 35.9 | 0 | 0 | 0 | 113.7 | P2301 D2302 I2307 E2308 I2327 | P2301-P2304 VanDerWaalsContact O-CD 3.28Å; P2301-P2304 WeakPolarHBondContact O-CD 3.32Å; D2302-P2304 VanDerWaalsContact C-CD 3.44Å; D2302-P2304 VanDerWaalsContact C-N 3.33Å; P2304-I2307 PolarHBondContact O-N 3.2Å; P2304-E2308 PolarHBondContact O-N 3.1Å; P2304-E2308 VanDerWaalsContact O-N 3.15Å; P2304-I2327 HydrophobicContact CG-CD1 4.33Å; P2304-I2327 HydrophobicContact CG-CG1 4.22Å |
| 2305 | Y | 86.3 | Confident | 83.4 | Confident | 150 Ų | 150 | 57.5 Ų | 57.5 | 59% | 0.588 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -71.2 | -40.2 | 178.5 | 178.7 | -110.9 | 0 | 0 | 0 | 111.5 | D2302 A2303 I2307 E2308 K2309 | D2302-Y2305 WeakPolarHBondContact O-CB 3.42Å; D2302-Y2305 PolarHBondContact O-N 3.18Å; A2303-Y2305 VanDerWaalsContact C-N 3.31Å; A2303-Y2305 PolarHBondContact O-N 3.15Å; Y2305-I2307 VanDerWaalsContact C-N 3.26Å; Y2305-I2307 PolarHBondContact O-N 3.02Å; Y2305-E2308 PolarHBondContact O-N 3.17Å; Y2305-E2308 VanDerWaalsContact O-N 3.13Å; Y2305-K2309 VanDerWaalsContact CE1-CE 3.41Å; Y2305-K2309 PolarHBondContact O-N 3.13Å |
| 2306 | E | 85.4 | Confident | 83.1 | Confident | 4.75 Ų | 4.75 | 59.1 Ų | 59.1 | 2% | 0.022 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.3 | -35.3 | 173.1 | -62.4 | -51.8 | 108.7 | 0 | 0 | 112.2 | L2280 D2281 A2284 C2285 D2302 A2303 E2308 K2309 L2310 | L2280-E2306 HydrophobicContact CD1-CB 4.01Å; L2280-E2306 HydrophobicContact CD1-CG 4.49Å; D2281-E2306 WeakPolarHBondContact CB-OE2 3.31Å; D2281-E2306 PolarHBondContact N-OE2 3.2Å; A2284-E2306 HydrophobicContact CB-CG 4.16Å; C2285-E2306 VanDerWaalsContact SG-CB 3.53Å; D2302-E2306 PolarHBondContact O-N 3.15Å; D2302-E2306 VanDerWaalsContact O-N 3.13Å; A2303-E2306 PolarHBondContact O-N 3.22Å; E2306-E2308 VanDerWaalsContact C-N 3.33Å; E2306-E2308 PolarHBondContact O-N 2.93Å; E2306-K2309 WeakPolarHBondContact O-CB 3.42Å; E2306-K2309 PolarHBondContact O-N 2.92Å; E2306-K2309 WeakPolarHBondContact OE1-CE 3.29Å; E2306-K2309 IonicContact OE1-NZ 2.93Å; E2306-K2309 PolarHBondContact OE1-NZ 2.92Å; E2306-K2309 WeakPolarHBondContact OE2-CD 3.47Å; E2306-K2309 WeakPolarHBondContact OE2-CE 3.45Å; E2306-K2309 IonicContact OE2-NZ 3.11Å; E2306-K2309 PolarHBondContact OE2-NZ 3.08Å; E2306-L2310 WeakPolarHBondContact O-CG 3.38Å; E2306-L2310 PolarHBondContact O-N 2.97Å; E2306-L2310 VanDerWaalsContact O-N 3.16Å |
| 2307 | I | 85 | Confident | 82.9 | Confident | 10.5 Ų | 10.5 | 59.1 Ų | 59.1 | 5% | 0.054 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.4 | -34.5 | 175.7 | -63.2 | 160.7 | 0 | 0 | 0 | 112 | A2303 P2304 Y2305 K2309 L2310 K2311 L2320 I2322 L2338 | A2303-I2307 WeakPolarHBondContact O-CD1 3.32Å; A2303-I2307 VanDerWaalsContact O-CG1 3.3Å; A2303-I2307 WeakPolarHBondContact O-CG1 3.33Å; A2303-I2307 PolarHBondContact O-N 2.99Å; A2303-I2307 VanDerWaalsContact O-N 3.16Å; P2304-I2307 PolarHBondContact O-N 3.2Å; Y2305-I2307 VanDerWaalsContact C-N 3.26Å; Y2305-I2307 PolarHBondContact O-N 3.02Å; I2307-K2309 VanDerWaalsContact C-N 3.32Å; I2307-K2309 PolarHBondContact O-N 3.47Å; I2307-L2310 HydrophobicContact CG1-CD1 4.49Å; I2307-L2310 PolarHBondContact O-N 3.31Å; I2307-K2311 WeakPolarHBondContact O-CG 3.24Å; I2307-K2311 PolarHBondContact O-N 2.85Å; I2307-L2320 HydrophobicContact CD1-CD2 4.47Å; I2307-L2320 HydrophobicContact CG1-CD2 4.46Å; I2307-I2322 HydrophobicContact CD1-CD1 3.34Å; I2307-I2322 HydrophobicContact CD1-CG1 3.78Å; I2307-I2322 HydrophobicContact CD1-CG2 4.22Å; I2307-I2322 HydrophobicContact CG1-CD1 4.45Å; I2307-L2338 HydrophobicContact CG2-CD1 4.17Å |
| 2308 | E | 84.4 | Confident | 82.8 | Confident | 101.75 Ų | 101.75 | 56.4 Ų | 56.4 | 48% | 0.475 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.8 | -33.6 | 173 | -65.4 | -59 | 156.2 | 0 | 0 | 112.2 | P2304 Y2305 E2306 K2311 | P2304-E2308 PolarHBondContact O-N 3.1Å; P2304-E2308 VanDerWaalsContact O-N 3.15Å; Y2305-E2308 PolarHBondContact O-N 3.17Å; Y2305-E2308 VanDerWaalsContact O-N 3.13Å; E2306-E2308 VanDerWaalsContact C-N 3.33Å; E2306-E2308 PolarHBondContact O-N 2.93Å; E2308-K2311 PolarHBondContact O-N 2.85Å; E2308-K2311 IonicContact OE1-NZ 3.33Å; E2308-K2311 PolarHBondContact OE1-NZ 3.12Å; E2308-K2311 WeakPolarHBondContact OE2-CD 3.34Å; E2308-K2311 VanDerWaalsContact OE2-CE 3.28Å; E2308-K2311 WeakPolarHBondContact OE2-CE 3.32Å; E2308-K2311 IonicContact OE2-NZ 3.28Å; E2308-K2311 PolarHBondContact OE2-NZ 3.11Å |
| 2309 | K | 83.7 | Confident | 82.8 | Confident | 53.25 Ų | 53.25 | 57.3 Ų | 57.3 | 23% | 0.232 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.6 | -49.7 | 170.5 | -58.5 | 176.6 | -177.4 | 170.1 | 0 | 111 | T2279 Y2305 E2306 I2307 K2311 M2312 | T2279-K2309 WeakPolarHBondContact O-CD 3.32Å; T2279-K2309 PolarHBondContact O-NZ 3.19Å; T2279-K2309 VanDerWaalsContact O-NZ 3.16Å; Y2305-K2309 VanDerWaalsContact CE1-CE 3.41Å; Y2305-K2309 PolarHBondContact O-N 3.13Å; E2306-K2309 WeakPolarHBondContact O-CB 3.42Å; E2306-K2309 PolarHBondContact O-N 2.92Å; E2306-K2309 WeakPolarHBondContact OE1-CE 3.29Å; E2306-K2309 IonicContact OE1-NZ 2.93Å; E2306-K2309 PolarHBondContact OE1-NZ 2.92Å; E2306-K2309 WeakPolarHBondContact OE2-CD 3.47Å; E2306-K2309 WeakPolarHBondContact OE2-CE 3.45Å; E2306-K2309 IonicContact OE2-NZ 3.11Å; E2306-K2309 PolarHBondContact OE2-NZ 3.08Å; I2307-K2309 VanDerWaalsContact C-N 3.32Å; I2307-K2309 PolarHBondContact O-N 3.47Å; K2309-K2311 PolarHBondContact O-N 3.04Å; K2309-K2311 VanDerWaalsContact O-N 3.11Å; K2309-M2312 WeakPolarHBondContact O-CB 3.19Å; K2309-M2312 WeakPolarHBondContact O-CG 3.42Å; K2309-M2312 PolarHBondContact O-N 3.07Å |
| 2310 | L | 83.8 | Confident | 83.1 | Confident | 0.5 Ų | 0.5 | 53.4 Ų | 53.4 | 0% | 0.003 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.8 | -31.3 | -177.6 | -70.7 | 174.6 | 0 | 0 | 0 | 113.3 | P2277 L2280 I2296 E2306 I2307 M2312 E2313 L2315 L2320 L2338 | P2277-L2310 HydrophobicContact CG-CD2 3.51Å; P2277-L2310 VanDerWaalsContact CG-CD2 3.44Å; L2280-L2310 HydrophobicContact CD1-CD1 4.37Å; L2280-L2310 HydrophobicContact CD1-CD2 4.26Å; L2280-L2310 HydrophobicContact CD1-CG 4.29Å; I2296-L2310 HydrophobicContact CD1-CD1 3.81Å; I2296-L2310 HydrophobicContact CD1-CD2 3.97Å; I2296-L2310 HydrophobicContact CG2-CD1 4.38Å; E2306-L2310 WeakPolarHBondContact O-CG 3.38Å; E2306-L2310 PolarHBondContact O-N 2.97Å; E2306-L2310 VanDerWaalsContact O-N 3.16Å; I2307-L2310 HydrophobicContact CG1-CD1 4.49Å; I2307-L2310 PolarHBondContact O-N 3.31Å; L2310-M2312 PolarHBondContact O-N 3.22Å; L2310-M2312 VanDerWaalsContact O-N 3.16Å; L2310-E2313 PolarHBondContact O-N 3.09Å; L2310-E2313 VanDerWaalsContact O-N 3.13Å; L2310-L2315 HydrophobicContact CD2-CD2 4.44Å; L2310-L2320 HydrophobicContact CD1-CD1 4.37Å; L2310-L2338 HydrophobicContact CB-CD2 4.1Å; L2310-L2338 WeakPolarHBondContact O-CD2 3.41Å |
| 2311 | K | 82.5 | Confident | 83.6 | Confident | 38.25 Ų | 38.25 | 52.6 Ų | 52.6 | 17% | 0.166 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -20.9 | 178.1 | -68.2 | 174.6 | -154.4 | 178.4 | 0 | 114 | I2307 E2308 K2309 E2313 A2334 L2338 | I2307-K2311 WeakPolarHBondContact O-CG 3.24Å; I2307-K2311 PolarHBondContact O-N 2.85Å; E2308-K2311 PolarHBondContact O-N 2.85Å; E2308-K2311 IonicContact OE1-NZ 3.33Å; E2308-K2311 PolarHBondContact OE1-NZ 3.12Å; E2308-K2311 WeakPolarHBondContact OE2-CD 3.34Å; E2308-K2311 VanDerWaalsContact OE2-CE 3.28Å; E2308-K2311 WeakPolarHBondContact OE2-CE 3.32Å; E2308-K2311 IonicContact OE2-NZ 3.28Å; E2308-K2311 PolarHBondContact OE2-NZ 3.11Å; K2309-K2311 PolarHBondContact O-N 3.04Å; K2309-K2311 VanDerWaalsContact O-N 3.11Å; K2311-E2313 VanDerWaalsContact C-N 3.3Å; K2311-E2313 PolarHBondContact O-N 3.39Å; K2311-A2334 WeakPolarHBondContact CE-O 3.43Å; K2311-A2334 PolarHBondContact NZ-O 3.17Å; K2311-L2338 HydrophobicContact CG-CD1 4.31Å; K2311-L2338 HydrophobicContact CG-CD2 4.23Å; K2311-L2338 HydrophobicContact CG-CG 4.1Å |
| 2312 | M | 75.2 | Confident | 84 | Confident | 166 Ų | 166 | 48 Ų | 48 | 82% | 0.818 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -16.6 | 177 | -55.2 | -162.8 | -167.9 | 0 | 0 | 112.6 | K2309 L2310 | K2309-M2312 WeakPolarHBondContact O-CB 3.19Å; K2309-M2312 WeakPolarHBondContact O-CG 3.42Å; K2309-M2312 PolarHBondContact O-N 3.07Å; L2310-M2312 PolarHBondContact O-N 3.22Å; L2310-M2312 VanDerWaalsContact O-N 3.16Å |
| 2313 | E | 69.6 | Low | 84.1 | Confident | 62.5 Ų | 62.5 | 44.8 Ų | 44.8 | 29% | 0.292 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 66.7 | -171.3 | -58.9 | -175.5 | -175.3 | 0 | 0 | 112.3 | P2277 T2279 L2310 K2311 L2315 | P2277-E2313 WeakPolarHBondContact CB-OE1 3.48Å; P2277-E2313 VanDerWaalsContact CB-OE2 3.29Å; P2277-E2313 WeakPolarHBondContact CB-OE2 3.36Å; P2277-E2313 VanDerWaalsContact CG-OE2 3.31Å; P2277-E2313 WeakPolarHBondContact CG-OE2 3.39Å; T2279-E2313 WeakPolarHBondContact CB-OE1 3.28Å; T2279-E2313 VanDerWaalsContact CG2-OE1 3.32Å; T2279-E2313 WeakPolarHBondContact CG2-OE1 3.27Å; T2279-E2313 PolarHBondContact OG1-OE1 2.95Å; L2310-E2313 PolarHBondContact O-N 3.09Å; L2310-E2313 VanDerWaalsContact O-N 3.13Å; K2311-E2313 VanDerWaalsContact C-N 3.3Å; K2311-E2313 PolarHBondContact O-N 3.39Å; E2313-L2315 HydrophobicContact CB-CD1 4.25Å; E2313-L2315 PolarHBondContact O-N 3.12Å; E2313-L2315 VanDerWaalsContact O-N 3.12Å |
| 2314 | Q | 68.9 | Low | 84.2 | Confident | 146.5 Ų | 146.5 | 48.4 Ų | 48.4 | 69% | 0.685 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -14.3 | 38.6 | -178.2 | -61.1 | -167.9 | -2.3 | 0 | 0 | 114 | K2339 | Q2314-K2339 PolarHBondContact O-NZ 3.07Š|
| 2315 | L | 74.3 | Confident | 84.2 | Confident | 12.5 Ų | 12.5 | 46.2 Ų | 46.2 | 7% | 0.065 | 21% | 0.214 | C | C | . | . | trans | -68.9 | 143.5 | -169.6 | -149.9 | 72.8 | 0 | 0 | 0 | 113 | F2275 P2277 A2294 I2296 L2310 E2313 I2317 K2339 | F2275-L2315 WeakPolarHBondContact O-CD1 3.34Å; P2277-L2315 HydrophobicContact CB-CD1 4.38Å; P2277-L2315 HydrophobicContact CG-CD2 4.18Å; A2294-L2315 HydrophobicContact CB-CD1 4.49Å; A2294-L2315 HydrophobicContact CB-CD2 4.03Å; A2294-L2315 HydrophobicContact CB-CG 4.47Å; I2296-L2315 HydrophobicContact CD1-CD2 4.05Å; L2310-L2315 HydrophobicContact CD2-CD2 4.44Å; E2313-L2315 HydrophobicContact CB-CD1 4.25Å; E2313-L2315 PolarHBondContact O-N 3.12Å; E2313-L2315 VanDerWaalsContact O-N 3.12Å; L2315-I2317 HydrophobicContact CB-CD1 4.41Å; L2315-I2317 HydrophobicContact CB-CG1 4.23Å; L2315-I2317 HydrophobicContact CD2-CG1 4.09Å; L2315-I2317 HydrophobicContact CG-CG1 4.2Å; L2315-I2317 PolarHBondContact O-N 3.34Å; L2315-K2339 PolarHBondContact O-N 2.9Å | ||
| 2316 | V | 82.6 | Confident | 84.3 | Confident | 43.75 Ų | 43.75 | 43.9 Ų | 43.9 | 27% | 0.265 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 110.7 | 166.4 | 178.5 | 0 | 0 | 0 | 0 | 108 | E2273 G2293 A2294 K2339 | E2273-V2316 HydrophobicContact CB-CB 4.31Å; E2273-V2316 HydrophobicContact CB-CG2 4.06Å; E2273-V2316 HydrophobicContact CG-CG2 4.41Å; E2273-V2316 WeakPolarHBondContact OE2-CG2 3.45Å; G2293-V2316 CarbonylContact C-O 3.38Å; G2293-V2316 VanDerWaalsContact CA-O 3.27Å; G2293-V2316 WeakPolarHBondContact CA-O 3.39Å; A2294-V2316 PolarHBondContact N-O 3.08Å; A2294-V2316 VanDerWaalsContact N-O 3.08Å; V2316-K2339 HydrophobicContact CG2-CB 4.43Å; V2316-K2339 HydrophobicContact CG2-CD 4.06Å |
| 2317 | I | 88.2 | Confident | 84.6 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 116.3 | -175.9 | -58.8 | 171.9 | 0 | 0 | 0 | 108.2 | A2294 I2296 L2315 E2319 L2320 L2338 K2339 I2340 R2341 | A2294-I2317 CarbonylContact O-C 3.41Å; A2294-I2317 WeakPolarHBondContact O-CA 3.49Å; A2294-I2317 WeakPolarHBondContact O-CG2 3.39Å; I2296-I2317 HydrophobicContact CD1-CD1 4.17Å; I2296-I2317 HydrophobicContact CD1-CG1 4.25Å; L2315-I2317 HydrophobicContact CB-CD1 4.41Å; L2315-I2317 HydrophobicContact CB-CG1 4.23Å; L2315-I2317 HydrophobicContact CD2-CG1 4.09Å; L2315-I2317 HydrophobicContact CG-CG1 4.2Å; L2315-I2317 PolarHBondContact O-N 3.34Å; I2317-E2319 VanDerWaalsContact CG2-C 3.45Å; I2317-E2319 VanDerWaalsContact CG2-O 3.26Å; I2317-E2319 WeakPolarHBondContact CG2-O 3.31Å; I2317-L2320 HydrophobicContact CG2-CB 4Å; I2317-L2338 HydrophobicContact CD1-CB 4.38Å; I2317-L2338 HydrophobicContact CD1-CD1 4.4Å; I2317-L2338 HydrophobicContact CD1-CD2 4.13Å; I2317-K2339 PolarHBondContact N-O 3.03Å; I2317-K2339 VanDerWaalsContact O-O 3.08Å; I2317-I2340 HydrophobicContact CB-CG1 4.23Å; I2317-I2340 HydrophobicContact CD1-CG1 4.34Å; I2317-I2340 HydrophobicContact CG2-CG1 4.38Å; I2317-I2340 CarbonylContact O-C 3.5Å; I2317-I2340 WeakPolarHBondContact O-CA 3.36Å; I2317-R2341 PolarHBondContact O-N 3.14Å; I2317-R2341 VanDerWaalsContact O-N 3.11Å |
| 2318 | R | 88.4 | Confident | 85 | Confident | 45.25 Ų | 45.25 | 49.4 Ų | 49.4 | 17% | 0.171 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | -44.3 | 173.8 | 171.4 | 174.8 | 164.1 | 164.8 | -14.5 | 110.4 | D2292 G2293 A2294 V2295 R2341 N2342 H3066 | D2292-R2318 VanDerWaalsContact CG-CD 3.46Å; D2292-R2318 VanDerWaalsContact CG-NH1 3.34Å; D2292-R2318 WeakPolarHBondContact OD1-CD 3.33Å; D2292-R2318 IonicContact OD1-CZ 2.77Å; D2292-R2318 IonicContact OD1-NE 2.68Å; D2292-R2318 IonicContact OD1-NH1 3.18Å; D2292-R2318 PolarHBondContact OD1-NH1 2.89Å; D2292-R2318 VanDerWaalsContact OD1-NH1 3.16Å; D2292-R2318 WeakPolarHBondContact OD2-CD 3.39Å; D2292-R2318 IonicContact OD2-CZ 3.09Å; D2292-R2318 IonicContact OD2-NE 2.87Å; D2292-R2318 IonicContact OD2-NH1 3.19Å; D2292-R2318 PolarHBondContact OD2-NH1 3.08Å; D2292-R2318 VanDerWaalsContact OD2-NH1 3.16Å; G2293-R2318 WeakPolarHBondContact O-CB 3.38Å; A2294-R2318 PolarHBondContact O-N 3.13Å; V2295-R2318 HydrophobicContact CG2-CB 4.3Å; V2295-R2318 HydrophobicContact CG2-CG 4.24Å; R2318-R2341 WeakPolarHBondContact O-CB 3.35Å; R2318-N2342 WeakPolarHBondContact O-CB 3.41Å; R2318-N2342 PolarHBondContact O-N 3.09Å; R2318-H3066 PolarHBondContact NH1-NE2 3.48Å; R2318-H3066 PolarHBondContact NH2-CD2 2.93Å; R2318-H3066 PolarHBondContact NH2-NE2 3.49Å |
| 2319 | E | 91.8 | Very high | 85.4 | Confident | 18 Ų | 18 | 49.7 Ų | 49.7 | 8% | 0.084 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 130.3 | 178 | -173.9 | 168.7 | 108.8 | 0 | 0 | 110.4 | R1814 A2294 V2295 I2296 R2297 I2317 N2342 I2344 | R1814-E2319 IonicContact NH2-OE2 3.97Å; A2294-E2319 PolarHBondContact O-N 2.97Å; V2295-E2319 CarbonylContact C-O 3.17Å; V2295-E2319 WeakPolarHBondContact CA-O 3.39Å; V2295-E2319 HydrophobicContact CB-CB 4.42Å; V2295-E2319 HydrophobicContact CG1-CB 4.15Å; V2295-E2319 HydrophobicContact CG1-CG 4.49Å; V2295-E2319 HydrophobicContact CG2-CB 4.05Å; I2296-E2319 PolarHBondContact N-O 2.95Å; R2297-E2319 IonicContact CZ-OE1 3.03Å; R2297-E2319 VanDerWaalsContact CZ-OE1 3.27Å; R2297-E2319 IonicContact NE-OE1 2.73Å; R2297-E2319 PolarHBondContact NE-OE1 3.3Å; R2297-E2319 IonicContact NH2-OE1 2.86Å; R2297-E2319 PolarHBondContact NH2-OE1 3.16Å; I2317-E2319 VanDerWaalsContact CG2-C 3.45Å; I2317-E2319 VanDerWaalsContact CG2-O 3.26Å; I2317-E2319 WeakPolarHBondContact CG2-O 3.31Å; E2319-N2342 CarbonylContact C-O 3.29Å; E2319-N2342 WeakPolarHBondContact CA-O 3.44Å; E2319-N2342 HydrophobicContact CB-CB 4.1Å; E2319-N2342 HydrophobicContact CG-CB 3.97Å; E2319-N2342 PolarHBondContact OE2-ND2 3.1Å; E2319-I2344 HydrophobicContact CG-CD1 4.19Å |
| 2320 | L | 93.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 114.1 | 168 | -175.7 | 60 | 0 | 0 | 0 | 107.8 | I2296 I2307 L2310 I2317 I2322 F2335 L2338 I2340 N2342 L2343 I2344 | I2296-L2320 HydrophobicContact CB-CD1 3.89Å; I2296-L2320 HydrophobicContact CG2-CD1 3.82Å; I2296-L2320 CarbonylContact O-C 3.32Å; I2296-L2320 WeakPolarHBondContact O-CA 3.29Å; I2307-L2320 HydrophobicContact CD1-CD2 4.47Å; I2307-L2320 HydrophobicContact CG1-CD2 4.46Å; L2310-L2320 HydrophobicContact CD1-CD1 4.37Å; I2317-L2320 HydrophobicContact CG2-CB 4Å; L2320-I2322 HydrophobicContact CD1-CG1 4.44Å; L2320-I2322 HydrophobicContact CD2-CD1 3.99Å; L2320-I2322 HydrophobicContact CD2-CG1 4.42Å; L2320-I2322 HydrophobicContact CG-CD1 4.07Å; L2320-I2322 HydrophobicContact CG-CG1 3.98Å; L2320-F2335 HydrophobicContact CD2-CD1 4.26Å; L2320-F2335 HydrophobicContact CD2-CE1 4.13Å; L2320-L2338 HydrophobicContact CD2-CD1 4.5Å; L2320-I2340 HydrophobicContact CB-CD1 4.32Å; L2320-I2340 HydrophobicContact CB-CG2 4.24Å; L2320-I2340 HydrophobicContact CD2-CD1 3.69Å; L2320-N2342 PolarHBondContact N-O 3.16Å; L2320-L2343 HydrophobicContact CB-CD1 4.09Å; L2320-L2343 HydrophobicContact CD2-CD1 4.12Å; L2320-L2343 HydrophobicContact CG-CD1 4.22Å; L2320-L2343 WeakPolarHBondContact O-CA 3.18Å; L2320-I2344 PolarHBondContact O-N 2.97Å |
| 2321 | A | 93.6 | Very high | 86.3 | Confident | 1.75 Ų | 1.75 | 48.8 Ų | 48.8 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 134.7 | 171 | 0 | 0 | 0 | 0 | 0 | 110.6 | I2296 R2297 C2298 E2323 I2344 | I2296-A2321 PolarHBondContact O-N 2.69Å; R2297-A2321 WeakPolarHBondContact CA-O 3.36Å; R2297-A2321 HydrophobicContact CB-CB 4.12Å; R2297-A2321 HydrophobicContact CG-CB 3.82Å; C2298-A2321 PolarHBondContact N-O 3.06Å; A2321-E2323 HydrophobicContact CB-CG 4.44Å; A2321-I2344 CarbonylContact C-O 3.29Å; A2321-I2344 WeakPolarHBondContact CA-O 3.22Å; A2321-I2344 HydrophobicContact CB-CB 4.01Å; A2321-I2344 HydrophobicContact CB-CD1 4.47Å; A2321-I2344 HydrophobicContact CB-CG2 4.37Å |
| 2322 | I | 91.9 | Very high | 86.7 | Confident | 1.25 Ų | 1.25 | 50.3 Ų | 50.3 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 86.9 | -175.4 | -46.1 | 163.1 | 0 | 0 | 0 | 106.1 | A2303 I2307 L2320 A2325 I2327 F2335 L2343 I2344 M2345 N2348 | A2303-I2322 HydrophobicContact CB-CG2 4.05Å; I2307-I2322 HydrophobicContact CD1-CD1 3.34Å; I2307-I2322 HydrophobicContact CD1-CG1 3.78Å; I2307-I2322 HydrophobicContact CD1-CG2 4.22Å; I2307-I2322 HydrophobicContact CG1-CD1 4.45Å; L2320-I2322 HydrophobicContact CD1-CG1 4.44Å; L2320-I2322 HydrophobicContact CD2-CD1 3.99Å; L2320-I2322 HydrophobicContact CD2-CG1 4.42Å; L2320-I2322 HydrophobicContact CG-CD1 4.07Å; L2320-I2322 HydrophobicContact CG-CG1 3.98Å; I2322-A2325 HydrophobicContact CG2-CB 4.06Å; I2322-I2327 HydrophobicContact CG2-CD1 3.65Å; I2322-F2335 HydrophobicContact CD1-CE1 3.91Å; I2322-F2335 HydrophobicContact CD1-CZ 4.22Å; I2322-L2343 HydrophobicContact CD1-CD1 4.08Å; I2322-I2344 PolarHBondContact N-O 3.29Å; I2322-M2345 HydrophobicContact CB-CG 4.45Å; I2322-M2345 HydrophobicContact CD1-CG 4.08Å; I2322-M2345 HydrophobicContact CD1-SD 4.45Å; I2322-M2345 CarbonylContact O-C 3.54Å; I2322-M2345 WeakPolarHBondContact O-CA 3.29Å; I2322-N2348 PolarHBondContact O-ND2 3.24Å |
| 2323 | E | 86.9 | Confident | 87.5 | Confident | 32.25 Ų | 32.25 | 48.3 Ų | 48.3 | 15% | 0.151 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 147.5 | -172.3 | -53.2 | -173.5 | 125.3 | 0 | 0 | 110.6 | C2298 K2299 G2300 A2321 A2325 D2346 R2347 | C2298-E2323 PolarHBondContact O-N 3.09Å; C2298-E2323 VanDerWaalsContact O-N 3.12Å; K2299-E2323 VanDerWaalsContact CA-O 3.31Å; K2299-E2323 WeakPolarHBondContact CA-O 3.24Å; K2299-E2323 VanDerWaalsContact CE-OE2 3.22Å; K2299-E2323 WeakPolarHBondContact CE-OE2 3.35Å; K2299-E2323 HydrophobicContact CG-CB 4.41Å; K2299-E2323 IonicContact NZ-OE2 3.31Å; K2299-E2323 PolarHBondContact NZ-OE2 2.94Å; G2300-E2323 PolarHBondContact N-O 3.39Å; A2321-E2323 HydrophobicContact CB-CG 4.44Å; E2323-A2325 PolarHBondContact O-N 3.23Å; E2323-A2325 VanDerWaalsContact O-N 3.15Å; E2323-D2346 WeakPolarHBondContact CA-O 3.25Å; E2323-R2347 VanDerWaalsContact CD-NH1 3.28Å; E2323-R2347 IonicContact OE1-CZ 2.81Å; E2323-R2347 VanDerWaalsContact OE1-CZ 3.26Å; E2323-R2347 IonicContact OE1-NH1 3.11Å; E2323-R2347 PolarHBondContact OE1-NH1 3.02Å; E2323-R2347 IonicContact OE1-NH2 3.26Å; E2323-R2347 PolarHBondContact OE1-NH2 3.03Å; E2323-R2347 IonicContact OE2-CZ 3.17Å; E2323-R2347 IonicContact OE2-NH1 3.33Å; E2323-R2347 IonicContact OE2-NH2 2.9Å; E2323-R2347 PolarHBondContact OE2-NH2 3Å |
| 2324 | E | 86.1 | Confident | 88.5 | Confident | 75.75 Ų | 75.75 | 46.4 Ų | 46.4 | 35% | 0.354 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 54.8 | 37.6 | 172.2 | -62.5 | 139 | -148.1 | 0 | 0 | 112.8 | K2299 G2300 R2347 | K2299-E2324 WeakPolarHBondContact CD-OE2 3.13Å; K2299-E2324 WeakPolarHBondContact CE-OE2 3.3Å; K2299-E2324 IonicContact NZ-OE1 3.19Å; K2299-E2324 PolarHBondContact NZ-OE1 3.14Å; K2299-E2324 IonicContact NZ-OE2 3.54Å; K2299-E2324 PolarHBondContact NZ-OE2 3.12Å; G2300-E2324 VanDerWaalsContact CA-O 3.25Å; G2300-E2324 WeakPolarHBondContact CA-O 3.28Å; G2300-E2324 PolarHBondContact N-O 3.18Å; G2300-E2324 VanDerWaalsContact N-O 3.14Å; E2324-R2347 VanDerWaalsContact CA-O 3.24Å; E2324-R2347 WeakPolarHBondContact CA-O 3.34Å; E2324-R2347 HydrophobicContact CG-CB 4.24Å; E2324-R2347 PolarHBondContact N-O 2.96Å; E2324-R2347 VanDerWaalsContact N-O 3.15Å; E2324-R2347 IonicContact OE1-CZ 3.03Å; E2324-R2347 VanDerWaalsContact OE1-CZ 3.27Å; E2324-R2347 IonicContact OE1-NE 3.15Å; E2324-R2347 PolarHBondContact OE1-NE 3.34Å; E2324-R2347 IonicContact OE1-NH2 3.08Å; E2324-R2347 PolarHBondContact OE1-NH2 3.07Å |
| 2325 | A | 87.1 | Confident | 89.5 | Confident | 6.25 Ų | 6.25 | 39.9 Ų | 39.9 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -108.2 | 14.2 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | G2300 A2303 I2322 E2323 I2327 N2348 | G2300-A2325 WeakPolarHBondContact O-CA 3.3Å; G2300-A2325 VanDerWaalsContact O-CB 3.27Å; G2300-A2325 WeakPolarHBondContact O-CB 3.39Å; A2303-A2325 HydrophobicContact CB-CB 3.95Å; I2322-A2325 HydrophobicContact CG2-CB 4.06Å; E2323-A2325 PolarHBondContact O-N 3.23Å; E2323-A2325 VanDerWaalsContact O-N 3.15Å; A2325-I2327 HydrophobicContact CB-CD1 4.29Å; A2325-I2327 HydrophobicContact CB-CG1 4.11Å; A2325-I2327 PolarHBondContact O-N 2.92Å; A2325-N2348 WeakPolarHBondContact CA-OD1 3.31Å; A2325-N2348 WeakPolarHBondContact CB-OD1 3.39Å; A2325-N2348 PolarHBondContact N-OD1 3.27Å; A2325-N2348 VanDerWaalsContact N-OD1 3.12Å |
| 2326 | D | 88 | Confident | 90.1 | Very high | 100.25 Ų | 100.25 | 45.3 Ų | 45.3 | 54% | 0.536 | 23% | 0.227 | S | C | . | . | trans | 47.4 | 29.6 | -179 | -76.6 | -38.9 | 0 | 0 | 0 | 115.9 | I2328 N2348 Q2349 | D2326-I2328 WeakPolarHBondContact O-CG1 3.46Å; D2326-I2328 PolarHBondContact O-N 3.15Å; D2326-I2328 VanDerWaalsContact O-N 3.11Å; D2326-N2348 PolarHBondContact N-OD1 2.95Å; D2326-Q2349 HydrophobicContact CB-CG 4.31Å; D2326-Q2349 VanDerWaalsContact OD1-CG 3.28Å; D2326-Q2349 WeakPolarHBondContact OD1-CG 3.39Å; D2326-Q2349 PolarHBondContact OD1-NE2 3.09Å | ||
| 2327 | I | 91.2 | Very high | 90.2 | Very high | 29.5 Ų | 29.5 | 48.9 Ų | 48.9 | 15% | 0.151 | 24% | 0.24 | C | C | . | . | trans | -65.5 | 117.7 | 179 | -58.1 | 176.5 | 0 | 0 | 0 | 109.4 | P2304 I2322 A2325 E2329 N2348 Q2349 I2350 | P2304-I2327 HydrophobicContact CG-CD1 4.33Å; P2304-I2327 HydrophobicContact CG-CG1 4.22Å; I2322-I2327 HydrophobicContact CG2-CD1 3.65Å; A2325-I2327 HydrophobicContact CB-CD1 4.29Å; A2325-I2327 HydrophobicContact CB-CG1 4.11Å; A2325-I2327 PolarHBondContact O-N 2.92Å; I2327-E2329 VanDerWaalsContact CG2-O 3.28Å; I2327-E2329 WeakPolarHBondContact CG2-O 3.4Å; I2327-N2348 HydrophobicContact CB-CB 4.22Å; I2327-N2348 PolarHBondContact N-OD1 3.13Å; I2327-Q2349 CarbonylContact O-C 3.43Å; I2327-Q2349 VanDerWaalsContact O-CA 3.27Å; I2327-Q2349 WeakPolarHBondContact O-CA 3.28Å; I2327-Q2349 WeakPolarHBondContact O-CB 3.37Å; I2327-Q2349 PolarHBondContact O-N 3.12Å; I2327-Q2349 VanDerWaalsContact O-N 3.07Å; I2327-I2350 HydrophobicContact CB-CD1 4.49Å; I2327-I2350 HydrophobicContact CB-CG1 4.13Å; I2327-I2350 HydrophobicContact CG2-CD1 4.33Å; I2327-I2350 HydrophobicContact CG2-CG1 3.96Å; I2327-I2350 WeakPolarHBondContact O-CA 3.42Å; I2327-I2350 VanDerWaalsContact O-CG1 3.27Å; I2327-I2350 WeakPolarHBondContact O-CG1 3.35Å; I2327-I2350 PolarHBondContact O-N 3.09Å | ||
| 2328 | I | 92.5 | Very high | 90.2 | Very high | 102.5 Ų | 102.5 | 49.1 Ų | 49.1 | 53% | 0.526 | 24% | 0.241 | S | C | . | . | trans | -89.8 | -35.6 | -177.2 | -60.2 | 175.9 | 0 | 0 | 0 | 112 | D2326 Q2349 I2350 H2351 | D2326-I2328 WeakPolarHBondContact O-CG1 3.46Å; D2326-I2328 PolarHBondContact O-N 3.15Å; D2326-I2328 VanDerWaalsContact O-N 3.11Å; I2328-Q2349 HydrophobicContact CG1-CB 4.17Å; I2328-I2350 WeakPolarHBondContact O-CA 3.34Å; I2328-H2351 WeakPolarHBondContact CG2-ND1 3.29Å; I2328-H2351 PolarHBondContact O-N 3.33Å; I2328-H2351 VanDerWaalsContact O-N 3.09Å; I2328-H2351 PolarHBondContact O-ND1 3.31Å | ||
| 2329 | E | 93.1 | Very high | 90.2 | Very high | 107 Ų | 107 | 51.9 Ų | 51.9 | 50% | 0.5 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 150.5 | 179.6 | 81.1 | 174.5 | -179.4 | 0 | 0 | 111.1 | I2327 A2352 M2800 W2804 | I2327-E2329 VanDerWaalsContact CG2-O 3.28Å; I2327-E2329 WeakPolarHBondContact CG2-O 3.4Å; E2329-A2352 VanDerWaalsContact CA-O 3.27Å; E2329-A2352 WeakPolarHBondContact CA-O 3.18Å; E2329-A2352 HydrophobicContact CB-CB 4.36Å; E2329-A2352 HydrophobicContact CG-CB 4Å; E2329-M2800 HydrophobicContact CG-CE 4.31Å; E2329-W2804 PolarHBondContact OE1-NE1 3.27Å |
| 2330 | I | 94.1 | Very high | 90.3 | Very high | 8.5 Ų | 8.5 | 51 Ų | 51 | 4% | 0.044 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 108.9 | 170.8 | -47.1 | 178.6 | 0 | 0 | 0 | 109.7 | A2334 F2335 M2345 I2350 A2352 I2353 H2354 A2357 F2358 | I2330-A2334 HydrophobicContact CG2-CB 3.69Å; I2330-F2335 HydrophobicContact CG2-CE2 4.11Å; I2330-M2345 HydrophobicContact CD1-CE 3.46Å; I2330-M2345 VanDerWaalsContact CD1-CE 3.44Å; I2330-M2345 HydrophobicContact CD1-SD 3.66Å; I2330-M2345 VanDerWaalsContact CD1-SD 3.59Å; I2330-M2345 HydrophobicContact CG1-SD 4.46Å; I2330-I2350 HydrophobicContact CD1-CD1 4.21Å; I2330-I2350 HydrophobicContact CD1-CG2 4.38Å; I2330-I2350 HydrophobicContact CG1-CD1 4.25Å; I2330-I2350 HydrophobicContact CG1-CG2 4.05Å; I2330-A2352 PolarHBondContact N-O 3.14Å; I2330-I2353 HydrophobicContact CB-CG1 4.42Å; I2330-I2353 HydrophobicContact CB-CG2 4.26Å; I2330-I2353 HydrophobicContact CD1-CD1 3.99Å; I2330-I2353 HydrophobicContact CD1-CG1 3.9Å; I2330-I2353 HydrophobicContact CD1-CG2 4.34Å; I2330-I2353 HydrophobicContact CG1-CG1 4.13Å; I2330-H2354 VanDerWaalsContact O-CB 3.31Å; I2330-H2354 WeakPolarHBondContact O-CB 3.21Å; I2330-H2354 PolarHBondContact O-N 3.14Å; I2330-A2357 HydrophobicContact CB-CB 4.25Å; I2330-A2357 HydrophobicContact CG2-CB 3.7Å; I2330-F2358 HydrophobicContact CD1-CE1 4.32Å; I2330-F2358 HydrophobicContact CD1-CZ 3.99Å |
| 2331 | G | 92.1 | Very high | 90.2 | Very high | 26.5 Ų | 26.5 | 56.6 Ų | 56.6 | 27% | 0.273 | 27% | 0.272 | S | S | . | . | trans | -69.7 | 169.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | R2333 A2334 A2357 | G2331-R2333 PolarHBondContact O-N 2.96Å; G2331-A2334 PolarHBondContact O-N 2.96Å; G2331-A2357 WeakPolarHBondContact O-CA 3.36Å | ||
| 2332 | P | 92.5 | Very high | 90.2 | Very high | 70 Ų | 70 | 58.4 Ų | 58.4 | 46% | 0.455 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 130.6 | 179.2 | 22.5 | -33.2 | 0 | 0 | 0 | 112.6 | A2334 H2354 D2356 | P2332-A2334 VanDerWaalsContact C-N 3.26Å; P2332-A2334 PolarHBondContact O-N 3.11Å; P2332-H2354 WeakPolarHBondContact CB-ND1 3.47Å; P2332-D2356 HydrophobicContact CB-CB 4.31Å |
| 2333 | R | 90.8 | Very high | 90.4 | Very high | 124.5 Ų | 124.5 | 58.3 Ų | 58.3 | 47% | 0.47 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 32.3 | 173.7 | -42.5 | -173.5 | -170.3 | 101 | 8.2 | 113.3 | G2331 F2335 R2336 D2356 A2357 A2359 | G2331-R2333 PolarHBondContact O-N 2.96Å; R2333-F2335 PolarHBondContact O-N 3.2Å; R2333-F2335 VanDerWaalsContact O-N 3.1Å; R2333-R2336 HydrophobicContact CB-CB 4.03Å; R2333-R2336 HydrophobicContact CB-CG 4.47Å; R2333-R2336 VanDerWaalsContact O-CB 3.26Å; R2333-R2336 WeakPolarHBondContact O-CB 3.41Å; R2333-R2336 PolarHBondContact O-N 3.11Å; R2333-R2336 VanDerWaalsContact O-N 3.08Å; R2333-D2356 VanDerWaalsContact CA-O 3.28Å; R2333-D2356 WeakPolarHBondContact CA-O 3.38Å; R2333-D2356 HydrophobicContact CG-CB 4.28Å; R2333-D2356 IonicContact CZ-OD2 2.74Å; R2333-D2356 PolarHBondContact N-O 2.89Å; R2333-D2356 IonicContact NE-OD2 2.7Å; R2333-D2356 IonicContact NH2-OD2 3.47Å; R2333-D2356 PolarHBondContact NH2-OD2 2.9Å; R2333-A2357 CarbonylContact C-O 3.25Å; R2333-A2359 HydrophobicContact CG-CB 4.27Å |
| 2334 | A | 90.5 | Very high | 90.8 | Very high | 23 Ų | 23 | 58.3 Ų | 58.3 | 19% | 0.19 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -33.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | K2311 I2330 G2331 P2332 A2357 | K2311-A2334 WeakPolarHBondContact CE-O 3.43Å; K2311-A2334 PolarHBondContact NZ-O 3.17Å; I2330-A2334 HydrophobicContact CG2-CB 3.69Å; G2331-A2334 PolarHBondContact O-N 2.96Å; P2332-A2334 VanDerWaalsContact C-N 3.26Å; P2332-A2334 PolarHBondContact O-N 3.11Å; A2334-A2357 PolarHBondContact N-O 3.15Å; A2334-A2357 VanDerWaalsContact N-O 3.1Å |
| 2335 | F | 91.1 | Very high | 91.2 | Very high | 9 Ų | 9 | 54.8 Ų | 54.8 | 4% | 0.039 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 16.3 | -177.8 | -55.7 | -76.7 | 0 | 0 | 0 | 114.2 | L2320 I2322 I2330 R2333 H2337 L2338 I2340 L2343 M2345 F2358 L2361 | L2320-F2335 HydrophobicContact CD2-CD1 4.26Å; L2320-F2335 HydrophobicContact CD2-CE1 4.13Å; I2322-F2335 HydrophobicContact CD1-CE1 3.91Å; I2322-F2335 HydrophobicContact CD1-CZ 4.22Å; I2330-F2335 HydrophobicContact CG2-CE2 4.11Å; R2333-F2335 PolarHBondContact O-N 3.2Å; R2333-F2335 VanDerWaalsContact O-N 3.1Å; F2335-H2337 PolarHBondContact O-N 3.42Å; F2335-L2338 HydrophobicContact CD1-CD1 4.34Å; F2335-L2338 WeakPolarHBondContact O-CB 3.21Å; F2335-L2338 PolarHBondContact O-N 3.01Å; F2335-L2338 VanDerWaalsContact O-N 3.12Å; F2335-I2340 HydrophobicContact CB-CD1 4.14Å; F2335-I2340 HydrophobicContact CD1-CD1 3.75Å; F2335-I2340 HydrophobicContact CG-CD1 4.16Å; F2335-L2343 HydrophobicContact CD1-CD2 4.48Å; F2335-L2343 HydrophobicContact CD2-CD2 4.02Å; F2335-L2343 HydrophobicContact CE1-CD1 3.99Å; F2335-L2343 HydrophobicContact CE1-CD2 4.22Å; F2335-L2343 HydrophobicContact CE2-CD2 3.72Å; F2335-L2343 HydrophobicContact CG-CD2 4.4Å; F2335-L2343 HydrophobicContact CZ-CD1 4.14Å; F2335-L2343 HydrophobicContact CZ-CD2 3.83Å; F2335-M2345 HydrophobicContact CE2-SD 4.08Å; F2335-M2345 HydrophobicContact CZ-SD 3.66Å; F2335-M2345 VanDerWaalsContact CZ-SD 3.59Å; F2335-F2358 AromaticContact CD2-CD1 3.85Å; F2335-F2358 HydrophobicContact CD2-CD1 3.89Å; F2335-F2358 HydrophobicContact CD2-CE1 4.19Å; F2335-F2358 HydrophobicContact CE2-CD1 4.06Å; F2335-F2358 AromaticContact CE2-CE1 3.88Å; F2335-F2358 HydrophobicContact CE2-CE1 3.88Å; F2335-L2361 HydrophobicContact CB-CD1 3.64Å; F2335-L2361 HydrophobicContact CB-CD2 4.45Å; F2335-L2361 HydrophobicContact CB-CG 4.12Å; F2335-L2361 HydrophobicContact CD2-CD1 4.31Å; F2335-L2361 HydrophobicContact CG-CD1 4.1Å |
| 2336 | R | 85.5 | Confident | 91.4 | Very high | 127 Ų | 127 | 55.4 Ų | 55.4 | 48% | 0.479 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 140.3 | -177.4 | -166.1 | -170.8 | 180 | -172.5 | 1.5 | 111.5 | R2333 L2338 | R2333-R2336 HydrophobicContact CB-CB 4.03Å; R2333-R2336 HydrophobicContact CB-CG 4.47Å; R2333-R2336 VanDerWaalsContact O-CB 3.26Å; R2333-R2336 WeakPolarHBondContact O-CB 3.41Å; R2333-R2336 PolarHBondContact O-N 3.11Å; R2333-R2336 VanDerWaalsContact O-N 3.08Å; R2336-L2338 PolarHBondContact O-N 3.14Å |
| 2337 | H | 84.9 | Confident | 91.7 | Very high | 118.75 Ų | 118.75 | 53.6 Ų | 53.6 | 55% | 0.55 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | -12.4 | -176.1 | -49.4 | -93 | 0 | 0 | 0 | 115.9 | F2335 | F2335-H2337 PolarHBondContact O-N 3.42Š|
| 2338 | L | 88.5 | Confident | 91.7 | Very high | 3.5 Ų | 3.5 | 52.5 Ų | 52.5 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | trans | -79.6 | 151.7 | 168.6 | -55.7 | 176.8 | 0 | 0 | 0 | 110.6 | I2307 L2310 K2311 I2317 L2320 F2335 R2336 I2340 L2361 | I2307-L2338 HydrophobicContact CG2-CD1 4.17Å; L2310-L2338 HydrophobicContact CB-CD2 4.1Å; L2310-L2338 WeakPolarHBondContact O-CD2 3.41Å; K2311-L2338 HydrophobicContact CG-CD1 4.31Å; K2311-L2338 HydrophobicContact CG-CD2 4.23Å; K2311-L2338 HydrophobicContact CG-CG 4.1Å; I2317-L2338 HydrophobicContact CD1-CB 4.38Å; I2317-L2338 HydrophobicContact CD1-CD1 4.4Å; I2317-L2338 HydrophobicContact CD1-CD2 4.13Å; L2320-L2338 HydrophobicContact CD2-CD1 4.5Å; F2335-L2338 HydrophobicContact CD1-CD1 4.34Å; F2335-L2338 WeakPolarHBondContact O-CB 3.21Å; F2335-L2338 PolarHBondContact O-N 3.01Å; F2335-L2338 VanDerWaalsContact O-N 3.12Å; R2336-L2338 PolarHBondContact O-N 3.14Å; L2338-I2340 HydrophobicContact CB-CD1 4.11Å; L2338-I2340 HydrophobicContact CB-CG1 3.96Å; L2338-I2340 HydrophobicContact CD1-CD1 4.07Å; L2338-L2361 WeakPolarHBondContact O-CD2 3.4Å | ||
| 2339 | K | 88.8 | Confident | 91.8 | Very high | 104.25 Ų | 104.25 | 50.7 Ų | 50.7 | 45% | 0.453 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 86.6 | 172.5 | -67.4 | 171.5 | -175.6 | 159.9 | 0 | 109 | E2273 Q2314 L2315 V2316 I2317 T2364 | E2273-K2339 IonicContact OE1-NZ 3.31Å; E2273-K2339 PolarHBondContact OE1-NZ 3.3Å; E2273-K2339 IonicContact OE2-NZ 2.58Å; E2273-K2339 PolarHBondContact OE2-NZ 3.06Å; Q2314-K2339 PolarHBondContact O-NZ 3.07Å; L2315-K2339 PolarHBondContact O-N 2.9Å; V2316-K2339 HydrophobicContact CG2-CB 4.43Å; V2316-K2339 HydrophobicContact CG2-CD 4.06Å; I2317-K2339 PolarHBondContact N-O 3.03Å; I2317-K2339 VanDerWaalsContact O-O 3.08Å; K2339-T2364 HydrophobicContact CB-CG2 4.38Å; K2339-T2364 HydrophobicContact CG-CG2 4.43Å |
| 2340 | I | 92.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 134.9 | -174.9 | -53.8 | 171.2 | 0 | 0 | 0 | 110.1 | I2317 L2320 F2335 L2338 N2342 L2343 L2361 T2364 L2365 | I2317-I2340 HydrophobicContact CB-CG1 4.23Å; I2317-I2340 HydrophobicContact CD1-CG1 4.34Å; I2317-I2340 HydrophobicContact CG2-CG1 4.38Å; I2317-I2340 CarbonylContact O-C 3.5Å; I2317-I2340 WeakPolarHBondContact O-CA 3.36Å; L2320-I2340 HydrophobicContact CB-CD1 4.32Å; L2320-I2340 HydrophobicContact CB-CG2 4.24Å; L2320-I2340 HydrophobicContact CD2-CD1 3.69Å; F2335-I2340 HydrophobicContact CB-CD1 4.14Å; F2335-I2340 HydrophobicContact CD1-CD1 3.75Å; F2335-I2340 HydrophobicContact CG-CD1 4.16Å; L2338-I2340 HydrophobicContact CB-CD1 4.11Å; L2338-I2340 HydrophobicContact CB-CG1 3.96Å; L2338-I2340 HydrophobicContact CD1-CD1 4.07Å; I2340-N2342 WeakPolarHBondContact CG2-O 3.37Å; I2340-L2343 HydrophobicContact CD1-CD1 4.47Å; I2340-L2343 HydrophobicContact CG2-CB 4.13Å; I2340-L2361 HydrophobicContact CB-CD1 4.43Å; I2340-L2361 HydrophobicContact CB-CD2 3.98Å; I2340-L2361 HydrophobicContact CD1-CD1 4.31Å; I2340-L2361 HydrophobicContact CD1-CD2 4.39Å; I2340-L2361 HydrophobicContact CG1-CD2 4.15Å; I2340-T2364 CarbonylContact O-C 3.51Å; I2340-T2364 VanDerWaalsContact O-C 3.23Å; I2340-T2364 VanDerWaalsContact O-CB 3.25Å; I2340-T2364 WeakPolarHBondContact O-CB 3.34Å; I2340-T2364 PolarHBondContact O-OG1 3.17Å; I2340-T2364 VanDerWaalsContact O-OG1 3.05Å; I2340-L2365 HydrophobicContact CB-CD1 4.35Å; I2340-L2365 HydrophobicContact CG2-CD1 4Å; I2340-L2365 WeakPolarHBondContact O-CA 3.36Å; I2340-L2365 PolarHBondContact O-N 3.01Å |
| 2341 | R | 91.7 | Very high | 91.9 | Very high | 117.75 Ų | 117.75 | 49.9 Ų | 49.9 | 44% | 0.444 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -50.1 | 170.3 | -69.8 | 178.8 | 175.6 | -113.5 | 4.1 | 113.2 | D2292 I2317 R2318 T2364 L2365 V2366 S2367 | D2292-R2341 IonicContact OD2-NH1 3.79Å; I2317-R2341 PolarHBondContact O-N 3.14Å; I2317-R2341 VanDerWaalsContact O-N 3.11Å; R2318-R2341 WeakPolarHBondContact O-CB 3.35Å; R2341-T2364 WeakPolarHBondContact CA-O 3.37Å; R2341-L2365 WeakPolarHBondContact O-CD1 3.29Å; R2341-V2366 PolarHBondContact O-N 3.01Å; R2341-S2367 PolarHBondContact O-N 2.99Å; R2341-S2367 VanDerWaalsContact O-N 3.09Å |
| 2342 | N | 93.8 | Very high | 92 | Very high | 38.25 Ų | 38.25 | 50.4 Ų | 50.4 | 21% | 0.205 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 127.7 | 174.1 | -62.2 | -9 | 0 | 0 | 0 | 109.2 | R2318 E2319 L2320 I2340 S2367 | R2318-N2342 WeakPolarHBondContact O-CB 3.41Å; R2318-N2342 PolarHBondContact O-N 3.09Å; E2319-N2342 CarbonylContact C-O 3.29Å; E2319-N2342 WeakPolarHBondContact CA-O 3.44Å; E2319-N2342 HydrophobicContact CB-CB 4.1Å; E2319-N2342 HydrophobicContact CG-CB 3.97Å; E2319-N2342 PolarHBondContact OE2-ND2 3.1Å; L2320-N2342 PolarHBondContact N-O 3.16Å; I2340-N2342 WeakPolarHBondContact CG2-O 3.37Å; N2342-S2367 WeakPolarHBondContact CA-O 3.33Å; N2342-S2367 WeakPolarHBondContact OD1-CB 3.42Å |
| 2343 | L | 95.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 123.1 | 173.6 | 179.6 | 58.4 | 0 | 0 | 0 | 109.2 | L2320 I2322 F2335 I2340 M2345 F2358 L2361 L2365 S2367 L2368 S2369 | L2320-L2343 HydrophobicContact CB-CD1 4.09Å; L2320-L2343 HydrophobicContact CD2-CD1 4.12Å; L2320-L2343 HydrophobicContact CG-CD1 4.22Å; L2320-L2343 WeakPolarHBondContact O-CA 3.18Å; I2322-L2343 HydrophobicContact CD1-CD1 4.08Å; F2335-L2343 HydrophobicContact CD1-CD2 4.48Å; F2335-L2343 HydrophobicContact CD2-CD2 4.02Å; F2335-L2343 HydrophobicContact CE1-CD1 3.99Å; F2335-L2343 HydrophobicContact CE1-CD2 4.22Å; F2335-L2343 HydrophobicContact CE2-CD2 3.72Å; F2335-L2343 HydrophobicContact CG-CD2 4.4Å; F2335-L2343 HydrophobicContact CZ-CD1 4.14Å; F2335-L2343 HydrophobicContact CZ-CD2 3.83Å; I2340-L2343 HydrophobicContact CD1-CD1 4.47Å; I2340-L2343 HydrophobicContact CG2-CB 4.13Å; L2343-M2345 HydrophobicContact CD1-CG 4.07Å; L2343-M2345 HydrophobicContact CD1-SD 4.27Å; L2343-M2345 HydrophobicContact CD2-CE 3.88Å; L2343-M2345 HydrophobicContact CD2-SD 4.05Å; L2343-M2345 HydrophobicContact CG-CE 4.08Å; L2343-M2345 HydrophobicContact CG-CG 4.16Å; L2343-M2345 HydrophobicContact CG-SD 4.15Å; L2343-F2358 HydrophobicContact CD2-CD1 4.07Å; L2343-F2358 HydrophobicContact CD2-CE1 3.76Å; L2343-L2361 HydrophobicContact CD2-CD1 4.46Å; L2343-L2365 HydrophobicContact CB-CD1 3.69Å; L2343-S2367 PolarHBondContact N-O 2.99Å; L2343-L2368 HydrophobicContact CB-CD1 4.01Å; L2343-L2368 HydrophobicContact CD2-CD1 3.95Å; L2343-L2368 HydrophobicContact CG-CD1 4.01Å; L2343-L2368 CarbonylContact O-C 3.34Å; L2343-L2368 WeakPolarHBondContact O-CA 3.29Å; L2343-S2369 PolarHBondContact O-N 3.1Å |
| 2344 | I | 95.1 | Very high | 92.5 | Very high | 32.5 Ų | 32.5 | 45.8 Ų | 45.8 | 17% | 0.167 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 122.3 | 178.9 | -59.4 | 170 | 0 | 0 | 0 | 107.4 | E2319 L2320 A2321 I2322 D2346 | E2319-I2344 HydrophobicContact CG-CD1 4.19Å; L2320-I2344 PolarHBondContact O-N 2.97Å; A2321-I2344 CarbonylContact C-O 3.29Å; A2321-I2344 WeakPolarHBondContact CA-O 3.22Å; A2321-I2344 HydrophobicContact CB-CB 4.01Å; A2321-I2344 HydrophobicContact CB-CD1 4.47Å; A2321-I2344 HydrophobicContact CB-CG2 4.37Å; I2322-I2344 PolarHBondContact N-O 3.29Å; I2344-D2346 HydrophobicContact CG2-CB 4.1Å |
| 2345 | M | 94.5 | Very high | 92.6 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | trans | -128.7 | 32.7 | 178.3 | -63.3 | 176.5 | -63.1 | 0 | 0 | 110.5 | I2322 I2330 F2335 L2343 N2348 I2350 F2358 L2368 S2369 I2370 N2373 | I2322-M2345 HydrophobicContact CB-CG 4.45Å; I2322-M2345 HydrophobicContact CD1-CG 4.08Å; I2322-M2345 HydrophobicContact CD1-SD 4.45Å; I2322-M2345 CarbonylContact O-C 3.54Å; I2322-M2345 WeakPolarHBondContact O-CA 3.29Å; I2330-M2345 HydrophobicContact CD1-CE 3.46Å; I2330-M2345 VanDerWaalsContact CD1-CE 3.44Å; I2330-M2345 HydrophobicContact CD1-SD 3.66Å; I2330-M2345 VanDerWaalsContact CD1-SD 3.59Å; I2330-M2345 HydrophobicContact CG1-SD 4.46Å; F2335-M2345 HydrophobicContact CE2-SD 4.08Å; F2335-M2345 HydrophobicContact CZ-SD 3.66Å; F2335-M2345 VanDerWaalsContact CZ-SD 3.59Å; L2343-M2345 HydrophobicContact CD1-CG 4.07Å; L2343-M2345 HydrophobicContact CD1-SD 4.27Å; L2343-M2345 HydrophobicContact CD2-CE 3.88Å; L2343-M2345 HydrophobicContact CD2-SD 4.05Å; L2343-M2345 HydrophobicContact CG-CE 4.08Å; L2343-M2345 HydrophobicContact CG-CG 4.16Å; L2343-M2345 HydrophobicContact CG-SD 4.15Å; M2345-N2348 VanDerWaalsContact C-ND2 3.34Å; M2345-N2348 PolarHBondContact O-ND2 3.07Å; M2345-I2350 HydrophobicContact CB-CD1 3.96Å; M2345-F2358 HydrophobicContact CE-CE1 3.82Å; M2345-F2358 HydrophobicContact CE-CZ 3.94Å; M2345-L2368 HydrophobicContact CE-CD1 3.83Å; M2345-S2369 PolarHBondContact N-O 3.02Å; M2345-I2370 HydrophobicContact CB-CG2 4.48Å; M2345-I2370 HydrophobicContact CE-CD1 3.7Å; M2345-I2370 HydrophobicContact CE-CG1 3.75Å; M2345-I2370 HydrophobicContact CE-CG2 4.49Å; M2345-N2373 PolarHBondContact O-ND2 3.26Å | ||
| 2346 | D | 92.8 | Very high | 92.8 | Very high | 18 Ų | 18 | 52.9 Ų | 52.9 | 10% | 0.096 | 24% | 0.241 | C | C | . | . | trans | -70.7 | 150.1 | -173 | -65.8 | 1.1 | 0 | 0 | 0 | 111.3 | E2323 I2344 N2348 S2369 I2370 A2371 | E2323-D2346 WeakPolarHBondContact CA-O 3.25Å; I2344-D2346 HydrophobicContact CG2-CB 4.1Å; D2346-N2348 PolarHBondContact O-ND2 3.31Å; D2346-S2369 VanDerWaalsContact CG-OG 3.26Å; D2346-S2369 VanDerWaalsContact OD1-C 3.22Å; D2346-S2369 VanDerWaalsContact OD1-CB 3.25Å; D2346-S2369 WeakPolarHBondContact OD1-CB 3.35Å; D2346-S2369 PolarHBondContact OD1-OG 3.33Å; D2346-S2369 WeakPolarHBondContact OD2-CB 3.19Å; D2346-S2369 PolarHBondContact OD2-OG 3.12Å; D2346-I2370 WeakPolarHBondContact OD1-CA 3.47Å; D2346-I2370 PolarHBondContact OD1-N 3.01Å; D2346-I2370 VanDerWaalsContact OD1-N 3.1Å; D2346-A2371 CarbonylContact C-O 3.27Å; D2346-A2371 WeakPolarHBondContact CA-O 3.37Å; D2346-A2371 HydrophobicContact CB-CB 4.42Å; D2346-A2371 PolarHBondContact OD1-N 3.08Å | ||
| 2347 | R | 93 | Very high | 93.2 | Very high | 63.5 Ų | 63.5 | 46.8 Ų | 46.8 | 24% | 0.24 | 22% | 0.218 | C | C | . | . | S | Bend | trans | 59.1 | 52.3 | 179 | -55.2 | -175.2 | -54.9 | -69 | 5.4 | 112.8 | K1801 H1841 E2323 E2324 A2371 H2372 | K1801-R2347 VanDerWaalsContact NZ-NH1 3.13Å; H1841-R2347 PolarHBondContact CE1-NH1 2.92Å; H1841-R2347 WeakPolarHBondContact NE2-CD 3.17Å; H1841-R2347 VanDerWaalsContact NE2-CZ 3.29Å; H1841-R2347 PolarHBondContact NE2-NE 2.95Å; H1841-R2347 PolarHBondContact NE2-NH1 2.89Å; E2323-R2347 VanDerWaalsContact CD-NH1 3.28Å; E2323-R2347 IonicContact OE1-CZ 2.81Å; E2323-R2347 VanDerWaalsContact OE1-CZ 3.26Å; E2323-R2347 IonicContact OE1-NH1 3.11Å; E2323-R2347 PolarHBondContact OE1-NH1 3.02Å; E2323-R2347 IonicContact OE1-NH2 3.26Å; E2323-R2347 PolarHBondContact OE1-NH2 3.03Å; E2323-R2347 IonicContact OE2-CZ 3.17Å; E2323-R2347 IonicContact OE2-NH1 3.33Å; E2323-R2347 IonicContact OE2-NH2 2.9Å; E2323-R2347 PolarHBondContact OE2-NH2 3Å; E2324-R2347 VanDerWaalsContact CA-O 3.24Å; E2324-R2347 WeakPolarHBondContact CA-O 3.34Å; E2324-R2347 HydrophobicContact CG-CB 4.24Å; E2324-R2347 PolarHBondContact N-O 2.96Å; E2324-R2347 VanDerWaalsContact N-O 3.15Å; E2324-R2347 IonicContact OE1-CZ 3.03Å; E2324-R2347 VanDerWaalsContact OE1-CZ 3.27Å; E2324-R2347 IonicContact OE1-NE 3.15Å; E2324-R2347 PolarHBondContact OE1-NE 3.34Å; E2324-R2347 IonicContact OE1-NH2 3.08Å; E2324-R2347 PolarHBondContact OE1-NH2 3.07Å; R2347-A2371 PolarHBondContact N-O 3.12Å; R2347-H2372 VanDerWaalsContact CA-O 3.26Å; R2347-H2372 WeakPolarHBondContact CA-O 3.38Å; R2347-H2372 HydrophobicContact CB-CB 4.41Å; R2347-H2372 HydrophobicContact CG-CB 3.7Å; R2347-H2372 PolarHBondContact N-O 3.08Å |
| 2348 | N | 92.3 | Very high | 93.7 | Very high | 5.25 Ų | 5.25 | 41.3 Ų | 41.3 | 3% | 0.028 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -120.4 | -170.8 | 168.7 | -73 | -81 | 0 | 0 | 0 | 109.8 | I2322 A2325 D2326 I2327 M2345 D2346 I2350 H2372 N2373 | I2322-N2348 PolarHBondContact O-ND2 3.24Å; A2325-N2348 WeakPolarHBondContact CA-OD1 3.31Å; A2325-N2348 WeakPolarHBondContact CB-OD1 3.39Å; A2325-N2348 PolarHBondContact N-OD1 3.27Å; A2325-N2348 VanDerWaalsContact N-OD1 3.12Å; D2326-N2348 PolarHBondContact N-OD1 2.95Å; I2327-N2348 HydrophobicContact CB-CB 4.22Å; I2327-N2348 PolarHBondContact N-OD1 3.13Å; M2345-N2348 VanDerWaalsContact C-ND2 3.34Å; M2345-N2348 PolarHBondContact O-ND2 3.07Å; D2346-N2348 PolarHBondContact O-ND2 3.31Å; N2348-I2350 HydrophobicContact CB-CD1 4Å; N2348-I2350 HydrophobicContact CB-CG1 3.87Å; N2348-H2372 PolarHBondContact N-O 3.37Å; N2348-N2373 WeakPolarHBondContact CA-OD1 3.37Å; N2348-N2373 VanDerWaalsContact CB-OD1 3.27Å; N2348-N2373 WeakPolarHBondContact CB-OD1 3.45Å; N2348-N2373 PolarHBondContact N-OD1 3.06Å; N2348-N2373 PolarHBondContact O-OD1 3.01Å; N2348-N2373 VanDerWaalsContact O-OD1 3.1Å |
| 2349 | Q | 93.4 | Very high | 93.8 | Very high | 64.5 Ų | 64.5 | 42.4 Ų | 42.4 | 30% | 0.301 | 20% | 0.202 | S | C | . | . | trans | -102.1 | 20.3 | -179.4 | -51.9 | -60.9 | -22 | 0 | 0 | 112.2 | D2326 I2327 I2328 H2351 K2374 | D2326-Q2349 HydrophobicContact CB-CG 4.31Å; D2326-Q2349 VanDerWaalsContact OD1-CG 3.28Å; D2326-Q2349 WeakPolarHBondContact OD1-CG 3.39Å; D2326-Q2349 PolarHBondContact OD1-NE2 3.09Å; I2327-Q2349 CarbonylContact O-C 3.43Å; I2327-Q2349 VanDerWaalsContact O-CA 3.27Å; I2327-Q2349 WeakPolarHBondContact O-CA 3.28Å; I2327-Q2349 WeakPolarHBondContact O-CB 3.37Å; I2327-Q2349 PolarHBondContact O-N 3.12Å; I2327-Q2349 VanDerWaalsContact O-N 3.07Å; I2328-Q2349 HydrophobicContact CG1-CB 4.17Å; Q2349-H2351 PolarHBondContact O-N 3.06Å; Q2349-H2351 VanDerWaalsContact O-N 3.09Å; Q2349-K2374 HydrophobicContact CB-CD 4.46Å; Q2349-K2374 VanDerWaalsContact OE1-CE 3.29Å | ||
| 2350 | I | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -68 | 109.8 | -164.2 | -56.7 | 165 | 0 | 0 | 0 | 109.6 | I2327 I2328 I2330 M2345 N2348 A2352 I2353 I2370 N2373 K2374 L2375 | I2327-I2350 HydrophobicContact CB-CD1 4.49Å; I2327-I2350 HydrophobicContact CB-CG1 4.13Å; I2327-I2350 HydrophobicContact CG2-CD1 4.33Å; I2327-I2350 HydrophobicContact CG2-CG1 3.96Å; I2327-I2350 WeakPolarHBondContact O-CA 3.42Å; I2327-I2350 VanDerWaalsContact O-CG1 3.27Å; I2327-I2350 WeakPolarHBondContact O-CG1 3.35Å; I2327-I2350 PolarHBondContact O-N 3.09Å; I2328-I2350 WeakPolarHBondContact O-CA 3.34Å; I2330-I2350 HydrophobicContact CD1-CD1 4.21Å; I2330-I2350 HydrophobicContact CD1-CG2 4.38Å; I2330-I2350 HydrophobicContact CG1-CD1 4.25Å; I2330-I2350 HydrophobicContact CG1-CG2 4.05Å; M2345-I2350 HydrophobicContact CB-CD1 3.96Å; N2348-I2350 HydrophobicContact CB-CD1 4Å; N2348-I2350 HydrophobicContact CB-CG1 3.87Å; I2350-A2352 WeakPolarHBondContact CG2-O 3.49Å; I2350-I2353 HydrophobicContact CG2-CD1 4.33Å; I2350-I2353 HydrophobicContact CG2-CG1 3.87Å; I2350-I2370 HydrophobicContact CB-CG2 4.46Å; I2350-I2370 HydrophobicContact CD1-CG2 3.86Å; I2350-I2370 HydrophobicContact CG2-CG2 4.48Å; I2350-N2373 WeakPolarHBondContact CA-OD1 3.42Å; I2350-N2373 HydrophobicContact CB-CB 4.34Å; I2350-N2373 WeakPolarHBondContact CB-OD1 3.37Å; I2350-N2373 WeakPolarHBondContact CD1-OD1 3.12Å; I2350-N2373 VanDerWaalsContact CG1-OD1 3.26Å; I2350-N2373 WeakPolarHBondContact CG1-OD1 3.4Å; I2350-N2373 PolarHBondContact N-OD1 3.14Å; I2350-K2374 CarbonylContact O-C 3.46Å; I2350-K2374 VanDerWaalsContact O-C 3.29Å; I2350-K2374 VanDerWaalsContact O-CA 3.32Å; I2350-K2374 WeakPolarHBondContact O-CA 3.35Å; I2350-K2374 PolarHBondContact O-N 3.25Å; I2350-L2375 HydrophobicContact CG2-CD2 4.07Å; I2350-L2375 PolarHBondContact O-N 3.3Å; I2350-L2375 VanDerWaalsContact O-N 3.13Å | ||
| 2351 | H | 94.7 | Very high | 93.8 | Very high | 99.75 Ų | 99.75 | 39.5 Ų | 39.5 | 46% | 0.462 | 20% | 0.201 | S | C | . | . | trans | -106.5 | -22.8 | 177.3 | 98.5 | -46.3 | 0 | 0 | 0 | 112.6 | I2328 Q2349 K2374 | I2328-H2351 WeakPolarHBondContact CG2-ND1 3.29Å; I2328-H2351 PolarHBondContact O-N 3.33Å; I2328-H2351 VanDerWaalsContact O-N 3.09Å; I2328-H2351 PolarHBondContact O-ND1 3.31Å; Q2349-H2351 PolarHBondContact O-N 3.06Å; Q2349-H2351 VanDerWaalsContact O-N 3.09Å; H2351-K2374 HydrophobicContact CB-CB 3.95Å; H2351-K2374 PolarHBondContact ND1-O 3.41Å | ||
| 2352 | A | 94.3 | Very high | 93.8 | Very high | 36.75 Ų | 36.75 | 37.3 Ų | 37.3 | 30% | 0.304 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 145.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E2329 I2330 I2350 | E2329-A2352 VanDerWaalsContact CA-O 3.27Å; E2329-A2352 WeakPolarHBondContact CA-O 3.18Å; E2329-A2352 HydrophobicContact CB-CB 4.36Å; E2329-A2352 HydrophobicContact CG-CB 4Å; I2330-A2352 PolarHBondContact N-O 3.14Å; I2350-A2352 WeakPolarHBondContact CG2-O 3.49Å |
| 2353 | I | 96.1 | Very high | 93.7 | Very high | 27.75 Ų | 27.75 | 43.8 Ų | 43.8 | 14% | 0.142 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 121.4 | 176.7 | -60 | 178.3 | 0 | 0 | 0 | 107.6 | I2330 I2350 A2357 F2358 I2370 L2375 P2379 A2382 | I2330-I2353 HydrophobicContact CB-CG1 4.42Å; I2330-I2353 HydrophobicContact CB-CG2 4.26Å; I2330-I2353 HydrophobicContact CD1-CD1 3.99Å; I2330-I2353 HydrophobicContact CD1-CG1 3.9Å; I2330-I2353 HydrophobicContact CD1-CG2 4.34Å; I2330-I2353 HydrophobicContact CG1-CG1 4.13Å; I2350-I2353 HydrophobicContact CG2-CD1 4.33Å; I2350-I2353 HydrophobicContact CG2-CG1 3.87Å; I2353-A2357 HydrophobicContact CG2-CB 3.76Å; I2353-F2358 HydrophobicContact CG2-CE2 3.93Å; I2353-F2358 HydrophobicContact CG2-CZ 4.26Å; I2353-I2370 HydrophobicContact CD1-CD1 3.48Å; I2353-I2370 VanDerWaalsContact CD1-CD1 3.48Å; I2353-L2375 HydrophobicContact CD1-CD1 4.14Å; I2353-L2375 HydrophobicContact CD1-CD2 3.87Å; I2353-L2375 HydrophobicContact CG1-CD2 3.94Å; I2353-P2379 HydrophobicContact CB-CB 4.39Å; I2353-P2379 HydrophobicContact CD1-CB 4.09Å; I2353-P2379 HydrophobicContact CD1-CG 4.09Å; I2353-A2382 HydrophobicContact CB-CB 4.43Å; I2353-A2382 HydrophobicContact CG2-CB 3.56Å |
| 2354 | H | 96.2 | Very high | 93.5 | Very high | 70.25 Ų | 70.25 | 45.8 Ų | 45.8 | 33% | 0.325 | 23% | 0.23 | S | C | . | . | trans | -67.6 | 140.4 | 177.9 | -173.4 | -89.1 | 0 | 0 | 0 | 110.9 | I2330 P2332 D2356 A2357 | I2330-H2354 VanDerWaalsContact O-CB 3.31Å; I2330-H2354 WeakPolarHBondContact O-CB 3.21Å; I2330-H2354 PolarHBondContact O-N 3.14Å; P2332-H2354 WeakPolarHBondContact CB-ND1 3.47Å; H2354-D2356 IonicContact CE1-OD2 2.92Å; H2354-D2356 PolarHBondContact CE1-OD2 3.18Å; H2354-D2356 VanDerWaalsContact CE1-OD2 3.23Å; H2354-D2356 PolarHBondContact ND1-N 2.95Å; H2354-D2356 VanDerWaalsContact ND1-N 3.12Å; H2354-D2356 IonicContact ND1-OD2 3.38Å; H2354-D2356 PolarHBondContact O-N 2.96Å; H2354-D2356 VanDerWaalsContact O-N 3.09Å; H2354-A2357 HydrophobicContact CB-CB 4.49Å; H2354-A2357 WeakPolarHBondContact O-CA 3.22Å; H2354-A2357 WeakPolarHBondContact O-CB 3.31Å; H2354-A2357 PolarHBondContact O-N 3.03Å | ||
| 2355 | K | 93.8 | Very high | 93.5 | Very high | 125.75 Ų | 125.75 | 44.3 Ų | 44.3 | 55% | 0.547 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -35.5 | 179.9 | 64.2 | 176.4 | -171.9 | 175.8 | 0 | 114.9 | A2357 D2381 A2382 | K2355-A2357 VanDerWaalsContact C-N 3.3Å; K2355-A2357 PolarHBondContact O-N 3.42Å; K2355-D2381 HydrophobicContact CB-CB 4.14Å; K2355-A2382 WeakPolarHBondContact O-CA 3.4Å |
| 2356 | D | 94.2 | Very high | 93.4 | Very high | 54.75 Ų | 54.75 | 46.2 Ų | 46.2 | 29% | 0.293 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 11.1 | 178.7 | -58.9 | -46.3 | 0 | 0 | 0 | 113 | P2332 R2333 H2354 F2358 A2359 | P2332-D2356 HydrophobicContact CB-CB 4.31Å; R2333-D2356 VanDerWaalsContact CA-O 3.28Å; R2333-D2356 WeakPolarHBondContact CA-O 3.38Å; R2333-D2356 HydrophobicContact CG-CB 4.28Å; R2333-D2356 IonicContact CZ-OD2 2.74Å; R2333-D2356 PolarHBondContact N-O 2.89Å; R2333-D2356 IonicContact NE-OD2 2.7Å; R2333-D2356 IonicContact NH2-OD2 3.47Å; R2333-D2356 PolarHBondContact NH2-OD2 2.9Å; H2354-D2356 IonicContact CE1-OD2 2.92Å; H2354-D2356 PolarHBondContact CE1-OD2 3.18Å; H2354-D2356 VanDerWaalsContact CE1-OD2 3.23Å; H2354-D2356 PolarHBondContact ND1-N 2.95Å; H2354-D2356 VanDerWaalsContact ND1-N 3.12Å; H2354-D2356 IonicContact ND1-OD2 3.38Å; H2354-D2356 PolarHBondContact O-N 2.96Å; H2354-D2356 VanDerWaalsContact O-N 3.09Å; D2356-F2358 PolarHBondContact O-N 3.12Å; D2356-A2359 HydrophobicContact CB-CB 4.44Å; D2356-A2359 VanDerWaalsContact O-CB 3.23Å; D2356-A2359 WeakPolarHBondContact O-CB 3.38Å; D2356-A2359 PolarHBondContact O-N 3.15Å |
| 2357 | A | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -48.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I2330 G2331 R2333 A2334 I2353 H2354 K2355 A2359 | I2330-A2357 HydrophobicContact CB-CB 4.25Å; I2330-A2357 HydrophobicContact CG2-CB 3.7Å; G2331-A2357 WeakPolarHBondContact O-CA 3.36Å; R2333-A2357 CarbonylContact C-O 3.25Å; A2334-A2357 PolarHBondContact N-O 3.15Å; A2334-A2357 VanDerWaalsContact N-O 3.1Å; I2353-A2357 HydrophobicContact CG2-CB 3.76Å; H2354-A2357 HydrophobicContact CB-CB 4.49Å; H2354-A2357 WeakPolarHBondContact O-CA 3.22Å; H2354-A2357 WeakPolarHBondContact O-CB 3.31Å; H2354-A2357 PolarHBondContact O-N 3.03Å; K2355-A2357 VanDerWaalsContact C-N 3.3Å; K2355-A2357 PolarHBondContact O-N 3.42Å; A2357-A2359 VanDerWaalsContact C-N 3.3Å; A2357-A2359 PolarHBondContact O-N 3.12Å |
| 2358 | F | 94.6 | Very high | 93.7 | Very high | 3.25 Ų | 3.25 | 43.3 Ų | 43.3 | 1% | 0.014 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 11.2 | -178.9 | -53.4 | -61.9 | 0 | 0 | 0 | 113.6 | I2330 F2335 L2343 M2345 I2353 D2356 G2360 L2361 L2368 I2370 A2382 L2383 M2386 | I2330-F2358 HydrophobicContact CD1-CE1 4.32Å; I2330-F2358 HydrophobicContact CD1-CZ 3.99Å; F2335-F2358 AromaticContact CD2-CD1 3.85Å; F2335-F2358 HydrophobicContact CD2-CD1 3.89Å; F2335-F2358 HydrophobicContact CD2-CE1 4.19Å; F2335-F2358 HydrophobicContact CE2-CD1 4.06Å; F2335-F2358 AromaticContact CE2-CE1 3.88Å; F2335-F2358 HydrophobicContact CE2-CE1 3.88Å; L2343-F2358 HydrophobicContact CD2-CD1 4.07Å; L2343-F2358 HydrophobicContact CD2-CE1 3.76Å; M2345-F2358 HydrophobicContact CE-CE1 3.82Å; M2345-F2358 HydrophobicContact CE-CZ 3.94Å; I2353-F2358 HydrophobicContact CG2-CE2 3.93Å; I2353-F2358 HydrophobicContact CG2-CZ 4.26Å; D2356-F2358 PolarHBondContact O-N 3.12Å; F2358-G2360 PolarHBondContact O-N 3.09Å; F2358-L2361 HydrophobicContact CB-CD1 4.48Å; F2358-L2361 HydrophobicContact CD1-CD1 4.42Å; F2358-L2361 VanDerWaalsContact O-CB 3.31Å; F2358-L2361 WeakPolarHBondContact O-CB 3.31Å; F2358-L2361 PolarHBondContact O-N 2.95Å; F2358-L2368 HydrophobicContact CD2-CD2 4.44Å; F2358-L2368 HydrophobicContact CE1-CD1 4.24Å; F2358-L2368 HydrophobicContact CE1-CD2 4.44Å; F2358-L2368 HydrophobicContact CE2-CD2 3.99Å; F2358-L2368 HydrophobicContact CZ-CD1 4.25Å; F2358-L2368 HydrophobicContact CZ-CD2 3.98Å; F2358-I2370 HydrophobicContact CZ-CD1 4.09Å; F2358-A2382 HydrophobicContact CD2-CB 4.35Å; F2358-A2382 WeakPolarHBondContact CD2-O 3.4Å; F2358-A2382 HydrophobicContact CE2-CB 4.33Å; F2358-L2383 HydrophobicContact CD2-CD2 3.91Å; F2358-L2383 HydrophobicContact CE2-CD2 3.99Å; F2358-M2386 HydrophobicContact CB-CE 4.39Å; F2358-M2386 HydrophobicContact CB-SD 4.37Å |
| 2359 | A | 92.1 | Very high | 93.9 | Very high | 25.75 Ų | 25.75 | 43.6 Ų | 43.6 | 21% | 0.213 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 124 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R2333 D2356 A2357 E2362 | R2333-A2359 HydrophobicContact CG-CB 4.27Å; D2356-A2359 HydrophobicContact CB-CB 4.44Å; D2356-A2359 VanDerWaalsContact O-CB 3.23Å; D2356-A2359 WeakPolarHBondContact O-CB 3.38Å; D2356-A2359 PolarHBondContact O-N 3.15Å; A2357-A2359 VanDerWaalsContact C-N 3.3Å; A2357-A2359 PolarHBondContact O-N 3.12Å; A2359-E2362 VanDerWaalsContact CA-OE1 3.31Å; A2359-E2362 WeakPolarHBondContact CA-OE1 3.3Å |
| 2360 | G | 88.7 | Confident | 94 | Very high | 42.75 Ų | 42.75 | 40.5 Ų | 40.5 | 44% | 0.441 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 103.3 | -12.1 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115 | F2358 E2362 | F2358-G2360 PolarHBondContact O-N 3.09Å; G2360-E2362 WeakPolarHBondContact CA-OE2 3.31Å; G2360-E2362 PolarHBondContact N-OE1 2.97Å; G2360-E2362 PolarHBondContact N-OE2 3.34Å; G2360-E2362 VanDerWaalsContact N-OE2 3.11Å |
| 2361 | L | 93.2 | Very high | 94 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -101.2 | 0.4 | 178.7 | -61.3 | -178.4 | 0 | 0 | 0 | 114.2 | F2335 L2338 I2340 L2343 F2358 R2363 T2364 L2365 M2386 | F2335-L2361 HydrophobicContact CB-CD1 3.64Å; F2335-L2361 HydrophobicContact CB-CD2 4.45Å; F2335-L2361 HydrophobicContact CB-CG 4.12Å; F2335-L2361 HydrophobicContact CD2-CD1 4.31Å; F2335-L2361 HydrophobicContact CG-CD1 4.1Å; L2338-L2361 WeakPolarHBondContact O-CD2 3.4Å; I2340-L2361 HydrophobicContact CB-CD1 4.43Å; I2340-L2361 HydrophobicContact CB-CD2 3.98Å; I2340-L2361 HydrophobicContact CD1-CD1 4.31Å; I2340-L2361 HydrophobicContact CD1-CD2 4.39Å; I2340-L2361 HydrophobicContact CG1-CD2 4.15Å; L2343-L2361 HydrophobicContact CD2-CD1 4.46Å; F2358-L2361 HydrophobicContact CB-CD1 4.48Å; F2358-L2361 HydrophobicContact CD1-CD1 4.42Å; F2358-L2361 VanDerWaalsContact O-CB 3.31Å; F2358-L2361 WeakPolarHBondContact O-CB 3.31Å; F2358-L2361 PolarHBondContact O-N 2.95Å; L2361-R2363 PolarHBondContact O-N 3.34Å; L2361-T2364 PolarHBondContact O-N 2.8Å; L2361-T2364 PolarHBondContact O-OG1 3.01Å; L2361-L2365 HydrophobicContact CB-CB 4.22Å; L2361-L2365 PolarHBondContact O-N 2.9Å; L2361-M2386 HydrophobicContact CB-CE 4.34Å | ||
| 2362 | E | 91.4 | Very high | 94 | Very high | 71.5 Ų | 71.5 | 38.9 Ų | 38.9 | 33% | 0.334 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -31.3 | -166.8 | -52.7 | 84.5 | 173.1 | 0 | 0 | 113.1 | A2359 G2360 M2386 E2387 S2388 | A2359-E2362 VanDerWaalsContact CA-OE1 3.31Å; A2359-E2362 WeakPolarHBondContact CA-OE1 3.3Å; G2360-E2362 WeakPolarHBondContact CA-OE2 3.31Å; G2360-E2362 PolarHBondContact N-OE1 2.97Å; G2360-E2362 PolarHBondContact N-OE2 3.34Å; G2360-E2362 VanDerWaalsContact N-OE2 3.11Å; E2362-M2386 HydrophobicContact CB-SD 4.38Å; E2362-M2386 HydrophobicContact CG-SD 4.36Å; E2362-M2386 CarbonylContact O-C 3.45Å; E2362-E2387 PolarHBondContact O-N 3.18Å; E2362-S2388 PolarHBondContact O-N 3.09Å; E2362-S2388 VanDerWaalsContact O-N 3.16Å |
| 2363 | R | 90.7 | Very high | 94.1 | Very high | 176.25 Ų | 176.25 | 37.6 Ų | 37.6 | 67% | 0.665 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | -6.3 | -179.9 | -68.3 | -176.8 | 172.8 | 141.6 | 11 | 114.6 | L2361 E2387 S2388 | L2361-R2363 PolarHBondContact O-N 3.34Å; R2363-E2387 HydrophobicContact CG-CB 4.44Å; R2363-E2387 WeakPolarHBondContact CG-OE2 3.43Å; R2363-E2387 IonicContact CZ-OE1 3.19Å; R2363-E2387 IonicContact CZ-OE2 3.12Å; R2363-E2387 IonicContact NE-OE1 3.46Å; R2363-E2387 PolarHBondContact NE-OE1 3.14Å; R2363-E2387 IonicContact NE-OE2 3.43Å; R2363-E2387 PolarHBondContact NE-OE2 3.24Å; R2363-E2387 IonicContact NH2-OE1 3.44Å; R2363-E2387 PolarHBondContact NH2-OE1 2.91Å; R2363-E2387 IonicContact NH2-OE2 3.51Å; R2363-E2387 PolarHBondContact NH2-OE2 3.01Å; R2363-S2388 VanDerWaalsContact C-OG 3.28Å; R2363-S2388 WeakPolarHBondContact CA-OG 3.28Å; R2363-S2388 WeakPolarHBondContact O-CB 3.42Å; R2363-S2388 PolarHBondContact O-OG 3.24Å |
| 2364 | T | 92.3 | Very high | 94.1 | Very high | 41.5 Ų | 41.5 | 41 Ų | 41 | 26% | 0.255 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -34.7 | -177.7 | 64.3 | 0 | 0 | 0 | 0 | 113.3 | K2339 I2340 R2341 L2361 V2366 | K2339-T2364 HydrophobicContact CB-CG2 4.38Å; K2339-T2364 HydrophobicContact CG-CG2 4.43Å; I2340-T2364 CarbonylContact O-C 3.51Å; I2340-T2364 VanDerWaalsContact O-C 3.23Å; I2340-T2364 VanDerWaalsContact O-CB 3.25Å; I2340-T2364 WeakPolarHBondContact O-CB 3.34Å; I2340-T2364 PolarHBondContact O-OG1 3.17Å; I2340-T2364 VanDerWaalsContact O-OG1 3.05Å; R2341-T2364 WeakPolarHBondContact CA-O 3.37Å; L2361-T2364 PolarHBondContact O-N 2.8Å; L2361-T2364 PolarHBondContact O-OG1 3.01Å; T2364-V2366 PolarHBondContact O-N 2.89Å |
| 2365 | L | 94.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -74.7 | 126.6 | -174.7 | -159.7 | 71.3 | 0 | 0 | 0 | 110.9 | I2340 R2341 L2343 L2361 L2368 M2386 S2388 L2389 | I2340-L2365 HydrophobicContact CB-CD1 4.35Å; I2340-L2365 HydrophobicContact CG2-CD1 4Å; I2340-L2365 WeakPolarHBondContact O-CA 3.36Å; I2340-L2365 PolarHBondContact O-N 3.01Å; R2341-L2365 WeakPolarHBondContact O-CD1 3.29Å; L2343-L2365 HydrophobicContact CB-CD1 3.69Å; L2361-L2365 HydrophobicContact CB-CB 4.22Å; L2361-L2365 PolarHBondContact O-N 2.9Å; L2365-L2368 HydrophobicContact CD2-CB 3.99Å; L2365-L2368 HydrophobicContact CD2-CD1 4.33Å; L2365-L2368 HydrophobicContact CD2-CD2 4.37Å; L2365-L2368 HydrophobicContact CD2-CG 4.46Å; L2365-M2386 HydrophobicContact CB-CE 3.71Å; L2365-M2386 HydrophobicContact CD2-CE 3.55Å; L2365-M2386 VanDerWaalsContact CD2-CE 3.43Å; L2365-M2386 HydrophobicContact CG-CE 4.24Å; L2365-S2388 CarbonylContact O-C 3.35Å; L2365-S2388 VanDerWaalsContact O-CB 3.26Å; L2365-S2388 WeakPolarHBondContact O-CB 3.19Å; L2365-L2389 HydrophobicContact CD2-CD1 4.33Å; L2365-L2389 HydrophobicContact CG-CD1 4.36Å; L2365-L2389 WeakPolarHBondContact O-CA 3.29Å; L2365-L2389 PolarHBondContact O-N 3.19Å | ||
| 2366 | V | 92.9 | Very high | 94.2 | Very high | 42 Ų | 42 | 36.1 Ų | 36.1 | 26% | 0.255 | 19% | 0.193 | S | C | . | . | trans | -111.8 | -35.3 | -177.5 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | R2341 T2364 L2390 V2391 | R2341-V2366 PolarHBondContact O-N 3.01Å; T2364-V2366 PolarHBondContact O-N 2.89Å; V2366-L2390 HydrophobicContact CG1-CB 4.28Å; V2366-L2390 HydrophobicContact CG1-CD1 3.81Å; V2366-L2390 HydrophobicContact CG1-CG 3.95Å; V2366-L2390 PolarHBondContact O-N 3.08Å; V2366-V2391 PolarHBondContact O-N 3.07Å; V2366-V2391 VanDerWaalsContact O-N 3.15Å | ||
| 2367 | S | 94.5 | Very high | 94.2 | Very high | 22.25 Ų | 22.25 | 40.1 Ų | 40.1 | 16% | 0.156 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 135 | 177.4 | -170.5 | 0 | 0 | 0 | 0 | 110.8 | R1822 R2341 N2342 L2343 V2391 | R1822-S2367 PolarHBondContact NH1-OG 3.46Å; R1822-S2367 PolarHBondContact NH2-OG 3.15Å; R2341-S2367 PolarHBondContact O-N 2.99Å; R2341-S2367 VanDerWaalsContact O-N 3.09Å; N2342-S2367 WeakPolarHBondContact CA-O 3.33Å; N2342-S2367 WeakPolarHBondContact OD1-CB 3.42Å; L2343-S2367 PolarHBondContact N-O 2.99Å; S2367-V2391 WeakPolarHBondContact CA-O 3.39Å |
| 2368 | L | 96.9 | Very high | 94.3 | Very high | 0.25 Ų | 0.25 | 40.7 Ų | 40.7 | 0% | 0.001 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 124.4 | 174.5 | 178.7 | 57.8 | 0 | 0 | 0 | 109.8 | L2343 M2345 F2358 L2365 I2370 L2383 L2389 V2391 L2392 N2393 | L2343-L2368 HydrophobicContact CB-CD1 4.01Å; L2343-L2368 HydrophobicContact CD2-CD1 3.95Å; L2343-L2368 HydrophobicContact CG-CD1 4.01Å; L2343-L2368 CarbonylContact O-C 3.34Å; L2343-L2368 WeakPolarHBondContact O-CA 3.29Å; M2345-L2368 HydrophobicContact CE-CD1 3.83Å; F2358-L2368 HydrophobicContact CD2-CD2 4.44Å; F2358-L2368 HydrophobicContact CE1-CD1 4.24Å; F2358-L2368 HydrophobicContact CE1-CD2 4.44Å; F2358-L2368 HydrophobicContact CE2-CD2 3.99Å; F2358-L2368 HydrophobicContact CZ-CD1 4.25Å; F2358-L2368 HydrophobicContact CZ-CD2 3.98Å; L2365-L2368 HydrophobicContact CD2-CB 3.99Å; L2365-L2368 HydrophobicContact CD2-CD1 4.33Å; L2365-L2368 HydrophobicContact CD2-CD2 4.37Å; L2365-L2368 HydrophobicContact CD2-CG 4.46Å; L2368-I2370 HydrophobicContact CD1-CD1 4.17Å; L2368-I2370 HydrophobicContact CD1-CG1 3.97Å; L2368-I2370 HydrophobicContact CD2-CD1 4.22Å; L2368-I2370 HydrophobicContact CG-CD1 4.23Å; L2368-I2370 HydrophobicContact CG-CG1 4.07Å; L2368-L2383 HydrophobicContact CD2-CD2 3.59Å; L2368-L2389 HydrophobicContact CB-CD1 3.89Å; L2368-V2391 PolarHBondContact N-O 3.24Å; L2368-V2391 VanDerWaalsContact N-O 3.07Å; L2368-L2392 HydrophobicContact CB-CD1 4.09Å; L2368-L2392 HydrophobicContact CD2-CD1 3.96Å; L2368-L2392 HydrophobicContact CG-CD1 4.05Å; L2368-L2392 WeakPolarHBondContact O-CA 3.36Å; L2368-N2393 PolarHBondContact O-N 2.99Å |
| 2369 | S | 97 | Very high | 94.3 | Very high | 10.5 Ų | 10.5 | 41.1 Ų | 41.1 | 7% | 0.073 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 126.6 | 173.9 | -158.1 | 0 | 0 | 0 | 0 | 110 | L2343 M2345 D2346 N2393 | L2343-S2369 PolarHBondContact O-N 3.1Å; M2345-S2369 PolarHBondContact N-O 3.02Å; D2346-S2369 VanDerWaalsContact CG-OG 3.26Å; D2346-S2369 VanDerWaalsContact OD1-C 3.22Å; D2346-S2369 VanDerWaalsContact OD1-CB 3.25Å; D2346-S2369 WeakPolarHBondContact OD1-CB 3.35Å; D2346-S2369 PolarHBondContact OD1-OG 3.33Å; D2346-S2369 WeakPolarHBondContact OD2-CB 3.19Å; D2346-S2369 PolarHBondContact OD2-OG 3.12Å; S2369-N2393 PolarHBondContact OG-ND2 3.06Å |
| 2370 | I | 96.1 | Very high | 94.4 | Very high | 0.5 Ų | 0.5 | 40.7 Ų | 40.7 | 0% | 0.003 | 21% | 0.211 | C | C | . | . | trans | -136.5 | 46.3 | 173.9 | -36.4 | -176.7 | 0 | 0 | 0 | 108 | M2345 D2346 I2350 I2353 F2358 L2368 N2373 L2375 N2393 L2394 N2397 | M2345-I2370 HydrophobicContact CB-CG2 4.48Å; M2345-I2370 HydrophobicContact CE-CD1 3.7Å; M2345-I2370 HydrophobicContact CE-CG1 3.75Å; M2345-I2370 HydrophobicContact CE-CG2 4.49Å; D2346-I2370 WeakPolarHBondContact OD1-CA 3.47Å; D2346-I2370 PolarHBondContact OD1-N 3.01Å; D2346-I2370 VanDerWaalsContact OD1-N 3.1Å; I2350-I2370 HydrophobicContact CB-CG2 4.46Å; I2350-I2370 HydrophobicContact CD1-CG2 3.86Å; I2350-I2370 HydrophobicContact CG2-CG2 4.48Å; I2353-I2370 HydrophobicContact CD1-CD1 3.48Å; I2353-I2370 VanDerWaalsContact CD1-CD1 3.48Å; F2358-I2370 HydrophobicContact CZ-CD1 4.09Å; L2368-I2370 HydrophobicContact CD1-CD1 4.17Å; L2368-I2370 HydrophobicContact CD1-CG1 3.97Å; L2368-I2370 HydrophobicContact CD2-CD1 4.22Å; L2368-I2370 HydrophobicContact CG-CD1 4.23Å; L2368-I2370 HydrophobicContact CG-CG1 4.07Å; I2370-N2373 HydrophobicContact CG2-CB 4.29Å; I2370-N2373 PolarHBondContact O-ND2 3.2Å; I2370-L2375 HydrophobicContact CB-CD1 4.43Å; I2370-L2375 HydrophobicContact CG2-CD1 4.19Å; I2370-N2393 PolarHBondContact N-O 2.9Å; I2370-L2394 HydrophobicContact CB-CD2 4.18Å; I2370-L2394 HydrophobicContact CD1-CD2 4.49Å; I2370-L2394 HydrophobicContact CG1-CD2 4.42Å; I2370-N2397 PolarHBondContact O-ND2 3.02Å | ||
| 2371 | A | 94.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | trans | -81.6 | 159.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112 | D2346 R2347 N2373 N2393 K2395 | D2346-A2371 CarbonylContact C-O 3.27Å; D2346-A2371 WeakPolarHBondContact CA-O 3.37Å; D2346-A2371 HydrophobicContact CB-CB 4.42Å; D2346-A2371 PolarHBondContact OD1-N 3.08Å; R2347-A2371 PolarHBondContact N-O 3.12Å; A2371-N2373 VanDerWaalsContact C-N 3.27Å; A2371-N2373 PolarHBondContact O-N 3.33Å; A2371-N2373 PolarHBondContact O-ND2 3.13Å; A2371-N2393 WeakPolarHBondContact CB-ND2 3.35Å; A2371-K2395 CarbonylContact C-O 3.37Å; A2371-K2395 WeakPolarHBondContact CA-O 3.43Å; A2371-K2395 HydrophobicContact CB-CB 4.09Å; A2371-K2395 VanDerWaalsContact CB-O 3.25Å; A2371-K2395 WeakPolarHBondContact CB-O 3.35Å | ||
| 2372 | H | 95.3 | Very high | 94.6 | Very high | 63.5 Ų | 63.5 | 44.9 Ų | 44.9 | 29% | 0.294 | 23% | 0.225 | S | C | . | . | S | Bend | trans | 53.1 | 54.5 | -178.1 | -60.7 | -87.1 | 0 | 0 | 0 | 112 | R1823 E1844 R2347 N2348 K2395 C2396 | R1823-H2372 PolarHBondContact NH1-ND1 2.82Å; R1823-H2372 PolarHBondContact NH2-ND1 3.36Å; E1844-H2372 IonicContact OE1-CE1 2.72Å; E1844-H2372 IonicContact OE1-NE2 2.73Å; E1844-H2372 PolarHBondContact OE1-NE2 2.67Å; E1844-H2372 IonicContact OE2-CD2 2.88Å; E1844-H2372 PolarHBondContact OE2-CD2 2.83Å; E1844-H2372 IonicContact OE2-CE1 2.76Å; E1844-H2372 IonicContact OE2-NE2 3.44Å; E1844-H2372 PolarHBondContact OE2-NE2 2.96Å; R2347-H2372 VanDerWaalsContact CA-O 3.26Å; R2347-H2372 WeakPolarHBondContact CA-O 3.38Å; R2347-H2372 HydrophobicContact CB-CB 4.41Å; R2347-H2372 HydrophobicContact CG-CB 3.7Å; R2347-H2372 PolarHBondContact N-O 3.08Å; N2348-H2372 PolarHBondContact N-O 3.37Å; H2372-K2395 PolarHBondContact N-O 3.09Å; H2372-K2395 PolarHBondContact NE2-NZ 3.17Å; H2372-C2396 CarbonylContact C-O 3.37Å; H2372-C2396 WeakPolarHBondContact CA-O 3.36Å; H2372-C2396 HydrophobicContact CB-CB 4.46Å; H2372-C2396 PolarHBondContact CE1-SG 3Å; H2372-C2396 VanDerWaalsContact CE1-SG 3.52Å; H2372-C2396 PolarHBondContact N-O 3.12Å; H2372-C2396 VanDerWaalsContact ND1-CB 3.29Å; H2372-C2396 WeakPolarHBondContact ND1-CB 3.29Å |
| 2373 | N | 95.7 | Very high | 94.8 | Very high | 10.25 Ų | 10.25 | 41.5 Ų | 41.5 | 6% | 0.055 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -133.3 | -167.2 | -177.3 | -89.8 | -83.2 | 0 | 0 | 0 | 109.6 | M2345 N2348 I2350 I2370 A2371 C2396 N2397 | M2345-N2373 PolarHBondContact O-ND2 3.26Å; N2348-N2373 WeakPolarHBondContact CA-OD1 3.37Å; N2348-N2373 VanDerWaalsContact CB-OD1 3.27Å; N2348-N2373 WeakPolarHBondContact CB-OD1 3.45Å; N2348-N2373 PolarHBondContact N-OD1 3.06Å; N2348-N2373 PolarHBondContact O-OD1 3.01Å; N2348-N2373 VanDerWaalsContact O-OD1 3.1Å; I2350-N2373 WeakPolarHBondContact CA-OD1 3.42Å; I2350-N2373 HydrophobicContact CB-CB 4.34Å; I2350-N2373 WeakPolarHBondContact CB-OD1 3.37Å; I2350-N2373 WeakPolarHBondContact CD1-OD1 3.12Å; I2350-N2373 VanDerWaalsContact CG1-OD1 3.26Å; I2350-N2373 WeakPolarHBondContact CG1-OD1 3.4Å; I2350-N2373 PolarHBondContact N-OD1 3.14Å; I2370-N2373 HydrophobicContact CG2-CB 4.29Å; I2370-N2373 PolarHBondContact O-ND2 3.2Å; A2371-N2373 VanDerWaalsContact C-N 3.27Å; A2371-N2373 PolarHBondContact O-N 3.33Å; A2371-N2373 PolarHBondContact O-ND2 3.13Å; N2373-C2396 PolarHBondContact N-O 3.1Å; N2373-C2396 VanDerWaalsContact N-O 3.09Å; N2373-N2397 WeakPolarHBondContact CA-OD1 3.35Å; N2373-N2397 WeakPolarHBondContact CB-OD1 3.3Å; N2373-N2397 WeakPolarHBondContact O-CA 3.38Å; N2373-N2397 PolarHBondContact O-OD1 2.93Å |
| 2374 | K | 96.5 | Very high | 94.8 | Very high | 99 Ų | 99 | 36.5 Ų | 36.5 | 43% | 0.43 | 20% | 0.197 | S | C | . | . | trans | -116.7 | 14.9 | -171 | -74.5 | 175.6 | 170.8 | 166.2 | 0 | 114.4 | Q2349 I2350 H2351 T2376 N2397 N2398 | Q2349-K2374 HydrophobicContact CB-CD 4.46Å; Q2349-K2374 VanDerWaalsContact OE1-CE 3.29Å; I2350-K2374 CarbonylContact O-C 3.46Å; I2350-K2374 VanDerWaalsContact O-C 3.29Å; I2350-K2374 VanDerWaalsContact O-CA 3.32Å; I2350-K2374 WeakPolarHBondContact O-CA 3.35Å; I2350-K2374 PolarHBondContact O-N 3.25Å; H2351-K2374 HydrophobicContact CB-CB 3.95Å; H2351-K2374 PolarHBondContact ND1-O 3.41Å; K2374-T2376 PolarHBondContact O-N 3.05Å; K2374-N2397 PolarHBondContact N-OD1 3.12Å; K2374-N2398 PolarHBondContact O-ND2 3.01Å | ||
| 2375 | L | 96.8 | Very high | 94.5 | Very high | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | trans | -60.4 | 131.9 | -178.6 | -60.2 | 172.9 | 0 | 0 | 0 | 111.4 | I2350 I2353 I2370 P2379 L2394 N2397 N2398 I2399 | I2350-L2375 HydrophobicContact CG2-CD2 4.07Å; I2350-L2375 PolarHBondContact O-N 3.3Å; I2350-L2375 VanDerWaalsContact O-N 3.13Å; I2353-L2375 HydrophobicContact CD1-CD1 4.14Å; I2353-L2375 HydrophobicContact CD1-CD2 3.87Å; I2353-L2375 HydrophobicContact CG1-CD2 3.94Å; I2370-L2375 HydrophobicContact CB-CD1 4.43Å; I2370-L2375 HydrophobicContact CG2-CD1 4.19Å; L2375-P2379 HydrophobicContact CD1-CG 4.49Å; L2375-L2394 HydrophobicContact CD1-CD2 3.95Å; L2375-N2397 HydrophobicContact CB-CB 4.17Å; L2375-N2397 VanDerWaalsContact CB-OD1 3.3Å; L2375-N2397 WeakPolarHBondContact CB-OD1 3.37Å; L2375-N2397 WeakPolarHBondContact CG-OD1 3.34Å; L2375-N2397 PolarHBondContact N-OD1 3.15Å; L2375-N2398 CarbonylContact O-C 3.29Å; L2375-N2398 VanDerWaalsContact O-C 3.22Å; L2375-N2398 VanDerWaalsContact O-CA 3.28Å; L2375-N2398 WeakPolarHBondContact O-CA 3.35Å; L2375-N2398 WeakPolarHBondContact O-CB 3.44Å; L2375-N2398 PolarHBondContact O-N 3.17Å; L2375-I2399 PolarHBondContact O-N 3.09Å | ||
| 2376 | T | 95.3 | Very high | 94.4 | Very high | 88.25 Ų | 88.25 | 35.8 Ų | 35.8 | 54% | 0.541 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -94.9 | -11.1 | 179 | 49.5 | 0 | 0 | 0 | 0 | 114.1 | K2374 N2398 I2399 G2400 | K2374-T2376 PolarHBondContact O-N 3.05Å; T2376-N2398 WeakPolarHBondContact CA-O 3.23Å; T2376-N2398 HydrophobicContact CG2-CB 4.22Å; T2376-I2399 WeakPolarHBondContact O-CA 3.38Å; T2376-G2400 PolarHBondContact O-N 3Å |
| 2377 | E | 95.1 | Very high | 94.1 | Very high | 137.75 Ų | 137.75 | 37.8 Ų | 37.8 | 64% | 0.644 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -147.8 | 164.2 | -179.8 | 60 | 177.8 | -158.8 | 0 | 0 | 111.2 | P2379 | E2377-P2379 WeakPolarHBondContact O-CD 3.44Š|
| 2378 | I | 95.8 | Very high | 94 | Very high | 13 Ų | 13 | 37.9 Ų | 37.9 | 7% | 0.067 | 21% | 0.205 | C | C | . | . | trans | -71.8 | 122 | 171.8 | -60.4 | 176 | 0 | 0 | 0 | 107.7 | T2380 L2394 I2399 I2402 A2406 L2407 L2418 | I2378-T2380 PolarHBondContact O-N 3.13Å; I2378-T2380 PolarHBondContact O-OG1 3Å; I2378-L2394 HydrophobicContact CB-CD1 4.49Å; I2378-L2394 HydrophobicContact CG1-CD1 4.33Å; I2378-L2394 HydrophobicContact CG2-CD1 4.09Å; I2378-I2399 HydrophobicContact CG1-CD1 4.22Å; I2378-I2399 HydrophobicContact CG1-CG2 4.16Å; I2378-I2402 HydrophobicContact CD1-CD1 3.76Å; I2378-I2402 HydrophobicContact CD1-CG1 4.36Å; I2378-A2406 HydrophobicContact CD1-CB 4.21Å; I2378-A2406 HydrophobicContact CG2-CB 4.39Å; I2378-L2407 HydrophobicContact CG2-CD1 4.32Å; I2378-L2407 HydrophobicContact CG2-CD2 3.86Å; I2378-L2407 HydrophobicContact CG2-CG 3.95Å; I2378-L2418 HydrophobicContact CD1-CD1 3.91Å; I2378-L2418 HydrophobicContact CD1-CD2 3.86Å; I2378-L2418 HydrophobicContact CG1-CD2 3.92Å | ||
| 2379 | P | 94.9 | Very high | 93.9 | Very high | 13 Ų | 13 | 37.9 Ų | 37.9 | 8% | 0.084 | 21% | 0.205 | C | C | . | . | trans | -75.4 | 63.3 | -170.9 | 32.6 | -38.2 | 0 | 0 | 0 | 112.2 | I2353 L2375 E2377 D2381 A2382 L2383 | I2353-P2379 HydrophobicContact CB-CB 4.39Å; I2353-P2379 HydrophobicContact CD1-CB 4.09Å; I2353-P2379 HydrophobicContact CD1-CG 4.09Å; L2375-P2379 HydrophobicContact CD1-CG 4.49Å; E2377-P2379 WeakPolarHBondContact O-CD 3.44Å; P2379-D2381 PolarHBondContact O-N 2.93Å; P2379-A2382 HydrophobicContact CB-CB 4.4Å; P2379-A2382 PolarHBondContact O-N 2.99Å; P2379-A2382 VanDerWaalsContact O-N 3.15Å; P2379-L2383 HydrophobicContact CG-CD1 4.13Å; P2379-L2383 WeakPolarHBondContact O-CG 3.31Å; P2379-L2383 PolarHBondContact O-N 3.17Å | ||
| 2380 | T | 93.9 | Very high | 93.7 | Very high | 16.5 Ų | 16.5 | 39.8 Ų | 39.8 | 10% | 0.101 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62 | -44.8 | -170.2 | -67.2 | 0 | 0 | 0 | 0 | 111.6 | I2378 A2382 L2383 V2384 A2406 L2407 Q2408 | I2378-T2380 PolarHBondContact O-N 3.13Å; I2378-T2380 PolarHBondContact O-OG1 3Å; T2380-A2382 PolarHBondContact O-N 3.11Å; T2380-A2382 VanDerWaalsContact O-N 3.17Å; T2380-L2383 CarbonylContact O-C 3.59Å; T2380-L2383 PolarHBondContact O-N 2.92Å; T2380-V2384 VanDerWaalsContact O-CG2 3.28Å; T2380-V2384 WeakPolarHBondContact O-CG2 3.35Å; T2380-V2384 PolarHBondContact O-N 3.21Å; T2380-V2384 VanDerWaalsContact O-N 3.16Å; T2380-A2406 WeakPolarHBondContact OG1-CA 3.4Å; T2380-L2407 VanDerWaalsContact CG2-N 3.33Å; T2380-L2407 PolarHBondContact OG1-N 3.24Å; T2380-L2407 VanDerWaalsContact OG1-N 3.1Å; T2380-Q2408 HydrophobicContact CG2-CB 4.44Å; T2380-Q2408 HydrophobicContact CG2-CG 4.28Å |
| 2381 | D | 93.2 | Very high | 93.5 | Very high | 123 Ų | 123 | 41.4 Ų | 41.4 | 66% | 0.658 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -60.1 | -29.1 | 178.6 | -81 | 16.8 | 0 | 0 | 0 | 113.3 | K2355 P2379 | K2355-D2381 HydrophobicContact CB-CB 4.14Å; P2379-D2381 PolarHBondContact O-N 2.93Å |
| 2382 | A | 94.2 | Very high | 93.6 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 7% | 0.066 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -83.6 | -13.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | I2353 K2355 F2358 P2379 T2380 | I2353-A2382 HydrophobicContact CB-CB 4.43Å; I2353-A2382 HydrophobicContact CG2-CB 3.56Å; K2355-A2382 WeakPolarHBondContact O-CA 3.4Å; F2358-A2382 HydrophobicContact CD2-CB 4.35Å; F2358-A2382 WeakPolarHBondContact CD2-O 3.4Å; F2358-A2382 HydrophobicContact CE2-CB 4.33Å; P2379-A2382 HydrophobicContact CB-CB 4.4Å; P2379-A2382 PolarHBondContact O-N 2.99Å; P2379-A2382 VanDerWaalsContact O-N 3.15Å; T2380-A2382 PolarHBondContact O-N 3.11Å; T2380-A2382 VanDerWaalsContact O-N 3.17Å |
| 2383 | L | 94.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -111.6 | 3.4 | -176.4 | -61.3 | 175.6 | 0 | 0 | 0 | 113.1 | F2358 L2368 P2379 T2380 G2385 M2386 L2389 L2392 L2407 V2410 | F2358-L2383 HydrophobicContact CD2-CD2 3.91Å; F2358-L2383 HydrophobicContact CE2-CD2 3.99Å; L2368-L2383 HydrophobicContact CD2-CD2 3.59Å; P2379-L2383 HydrophobicContact CG-CD1 4.13Å; P2379-L2383 WeakPolarHBondContact O-CG 3.31Å; P2379-L2383 PolarHBondContact O-N 3.17Å; T2380-L2383 CarbonylContact O-C 3.59Å; T2380-L2383 PolarHBondContact O-N 2.92Å; L2383-G2385 PolarHBondContact O-N 3.19Å; L2383-M2386 HydrophobicContact CB-CG 4.37Å; L2383-M2386 HydrophobicContact CD2-CG 4.28Å; L2383-M2386 VanDerWaalsContact O-CG 3.25Å; L2383-M2386 WeakPolarHBondContact O-CG 3.42Å; L2383-M2386 PolarHBondContact O-N 3Å; L2383-L2389 HydrophobicContact CD2-CD2 4.39Å; L2383-L2392 HydrophobicContact CD1-CD1 4.14Å; L2383-L2392 HydrophobicContact CD1-CD2 3.65Å; L2383-L2407 HydrophobicContact CB-CD2 4.37Å; L2383-L2407 HydrophobicContact CD1-CD2 3.63Å; L2383-V2410 HydrophobicContact CB-CG2 4.31Å; L2383-V2410 VanDerWaalsContact O-CG2 3.31Å; L2383-V2410 WeakPolarHBondContact O-CG2 3.13Å |
| 2384 | V | 90.6 | Very high | 93.7 | Very high | 70.75 Ų | 70.75 | 39 Ų | 39 | 43% | 0.429 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 121.7 | 178.3 | -178 | 0 | 0 | 0 | 0 | 110.6 | T2380 | T2380-V2384 VanDerWaalsContact O-CG2 3.28Å; T2380-V2384 WeakPolarHBondContact O-CG2 3.35Å; T2380-V2384 PolarHBondContact O-N 3.21Å; T2380-V2384 VanDerWaalsContact O-N 3.16Å |
| 2385 | G | 85.8 | Confident | 93.7 | Very high | 24.25 Ų | 24.25 | 37 Ų | 37 | 25% | 0.25 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 17.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | L2383 E2387 | L2383-G2385 PolarHBondContact O-N 3.19Å; G2385-E2387 PolarHBondContact O-N 3.12Å |
| 2386 | M | 93.1 | Very high | 93.7 | Very high | 3.75 Ų | 3.75 | 37.5 Ų | 37.5 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | trans | -69.4 | 74.9 | 171.5 | -64.5 | -66.2 | -72.4 | 0 | 0 | 111.4 | F2358 L2361 E2362 L2365 L2383 S2388 L2389 | F2358-M2386 HydrophobicContact CB-CE 4.39Å; F2358-M2386 HydrophobicContact CB-SD 4.37Å; L2361-M2386 HydrophobicContact CB-CE 4.34Å; E2362-M2386 HydrophobicContact CB-SD 4.38Å; E2362-M2386 HydrophobicContact CG-SD 4.36Å; E2362-M2386 CarbonylContact O-C 3.45Å; L2365-M2386 HydrophobicContact CB-CE 3.71Å; L2365-M2386 HydrophobicContact CD2-CE 3.55Å; L2365-M2386 VanDerWaalsContact CD2-CE 3.43Å; L2365-M2386 HydrophobicContact CG-CE 4.24Å; L2383-M2386 HydrophobicContact CB-CG 4.37Å; L2383-M2386 HydrophobicContact CD2-CG 4.28Å; L2383-M2386 VanDerWaalsContact O-CG 3.25Å; L2383-M2386 WeakPolarHBondContact O-CG 3.42Å; L2383-M2386 PolarHBondContact O-N 3Å; M2386-S2388 PolarHBondContact O-N 3.05Å; M2386-S2388 VanDerWaalsContact O-N 3.09Å; M2386-L2389 HydrophobicContact CB-CB 3.95Å; M2386-L2389 HydrophobicContact CB-CD2 4.4Å; M2386-L2389 PolarHBondContact O-N 3.34Å | ||
| 2387 | E | 87.2 | Confident | 93.7 | Very high | 83 Ų | 83 | 33.6 Ų | 33.6 | 39% | 0.388 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -24.5 | -174.9 | -70.2 | 178.6 | -174.3 | 0 | 0 | 114.6 | E2362 R2363 G2385 R2412 | E2362-E2387 PolarHBondContact O-N 3.18Å; R2363-E2387 HydrophobicContact CG-CB 4.44Å; R2363-E2387 WeakPolarHBondContact CG-OE2 3.43Å; R2363-E2387 IonicContact CZ-OE1 3.19Å; R2363-E2387 IonicContact CZ-OE2 3.12Å; R2363-E2387 IonicContact NE-OE1 3.46Å; R2363-E2387 PolarHBondContact NE-OE1 3.14Å; R2363-E2387 IonicContact NE-OE2 3.43Å; R2363-E2387 PolarHBondContact NE-OE2 3.24Å; R2363-E2387 IonicContact NH2-OE1 3.44Å; R2363-E2387 PolarHBondContact NH2-OE1 2.91Å; R2363-E2387 IonicContact NH2-OE2 3.51Å; R2363-E2387 PolarHBondContact NH2-OE2 3.01Å; G2385-E2387 PolarHBondContact O-N 3.12Å; E2387-R2412 VanDerWaalsContact O-CD 3.24Å; E2387-R2412 WeakPolarHBondContact O-CD 3.49Å; E2387-R2412 WeakPolarHBondContact O-CG 3.31Å; E2387-R2412 PolarHBondContact O-NE 2.84Å; E2387-R2412 PolarHBondContact O-NH1 2.97Å |
| 2388 | S | 91.1 | Very high | 93.8 | Very high | 24.25 Ų | 24.25 | 29.8 Ų | 29.8 | 17% | 0.17 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -8.1 | -175.8 | -73.4 | 0 | 0 | 0 | 0 | 115.4 | E2362 R2363 L2365 M2386 L2390 | E2362-S2388 PolarHBondContact O-N 3.09Å; E2362-S2388 VanDerWaalsContact O-N 3.16Å; R2363-S2388 VanDerWaalsContact C-OG 3.28Å; R2363-S2388 WeakPolarHBondContact CA-OG 3.28Å; R2363-S2388 WeakPolarHBondContact O-CB 3.42Å; R2363-S2388 PolarHBondContact O-OG 3.24Å; L2365-S2388 CarbonylContact O-C 3.35Å; L2365-S2388 VanDerWaalsContact O-CB 3.26Å; L2365-S2388 WeakPolarHBondContact O-CB 3.19Å; M2386-S2388 PolarHBondContact O-N 3.05Å; M2386-S2388 VanDerWaalsContact O-N 3.09Å; S2388-L2390 PolarHBondContact O-N 2.96Å |
| 2389 | L | 94.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -72.5 | 122.9 | -171.9 | -171.5 | 68 | 0 | 0 | 0 | 111.4 | L2365 L2368 L2383 M2386 V2391 L2392 V2410 R2412 L2413 | L2365-L2389 HydrophobicContact CD2-CD1 4.33Å; L2365-L2389 HydrophobicContact CG-CD1 4.36Å; L2365-L2389 WeakPolarHBondContact O-CA 3.29Å; L2365-L2389 PolarHBondContact O-N 3.19Å; L2368-L2389 HydrophobicContact CB-CD1 3.89Å; L2383-L2389 HydrophobicContact CD2-CD2 4.39Å; M2386-L2389 HydrophobicContact CB-CB 3.95Å; M2386-L2389 HydrophobicContact CB-CD2 4.4Å; M2386-L2389 PolarHBondContact O-N 3.34Å; L2389-V2391 WeakPolarHBondContact CD1-O 3.34Å; L2389-L2392 HydrophobicContact CD2-CB 4.42Å; L2389-V2410 HydrophobicContact CB-CG1 4.07Å; L2389-V2410 HydrophobicContact CD2-CG1 4.02Å; L2389-V2410 HydrophobicContact CG-CG1 4.44Å; L2389-R2412 CarbonylContact O-C 3.4Å; L2389-R2412 VanDerWaalsContact O-C 3.29Å; L2389-L2413 HydrophobicContact CD2-CD1 4.4Å; L2389-L2413 HydrophobicContact CG-CD1 4.23Å; L2389-L2413 PolarHBondContact O-N 3Å | ||
| 2390 | L | 92.2 | Very high | 93.8 | Very high | 50.75 Ų | 50.75 | 29.8 Ų | 29.8 | 27% | 0.266 | 17% | 0.173 | S | C | . | . | trans | -108.5 | -33.6 | -179.7 | -55.8 | -174 | 0 | 0 | 0 | 112.6 | V2366 S2388 R2412 I2414 E2415 | V2366-L2390 HydrophobicContact CG1-CB 4.28Å; V2366-L2390 HydrophobicContact CG1-CD1 3.81Å; V2366-L2390 HydrophobicContact CG1-CG 3.95Å; V2366-L2390 PolarHBondContact O-N 3.08Å; S2388-L2390 PolarHBondContact O-N 2.96Å; L2390-R2412 HydrophobicContact CD2-CB 3.74Å; L2390-R2412 VanDerWaalsContact CD2-O 3.28Å; L2390-R2412 WeakPolarHBondContact CD2-O 3.29Å; L2390-I2414 HydrophobicContact CB-CD1 4.46Å; L2390-I2414 HydrophobicContact CD1-CD1 4.42Å; L2390-I2414 HydrophobicContact CD2-CD1 4.16Å; L2390-I2414 HydrophobicContact CD2-CG1 4.45Å; L2390-I2414 WeakPolarHBondContact O-CA 3.29Å; L2390-I2414 WeakPolarHBondContact O-CB 3.19Å; L2390-I2414 PolarHBondContact O-N 3.26Å; L2390-E2415 PolarHBondContact O-N 3.12Å; L2390-E2415 VanDerWaalsContact O-N 3.08Å | ||
| 2391 | V | 92.7 | Very high | 93.9 | Very high | 33.5 Ų | 33.5 | 31.8 Ų | 31.8 | 20% | 0.203 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 129.2 | -177.1 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | V2366 S2367 L2368 L2389 E2415 | V2366-V2391 PolarHBondContact O-N 3.07Å; V2366-V2391 VanDerWaalsContact O-N 3.15Å; S2367-V2391 WeakPolarHBondContact CA-O 3.39Å; L2368-V2391 PolarHBondContact N-O 3.24Å; L2368-V2391 VanDerWaalsContact N-O 3.07Å; L2389-V2391 WeakPolarHBondContact CD1-O 3.34Å; V2391-E2415 WeakPolarHBondContact CA-O 3.46Å; V2391-E2415 HydrophobicContact CB-CB 4.34Å; V2391-E2415 HydrophobicContact CG1-CB 4.2Å; V2391-E2415 HydrophobicContact CG1-CG 4.21Å; V2391-E2415 HydrophobicContact CG2-CB 4.18Å |
| 2392 | L | 96.5 | Very high | 94.1 | Very high | 0.25 Ų | 0.25 | 26.4 Ų | 26.4 | 0% | 0.001 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 116.7 | 174.2 | 178.5 | 60.6 | 0 | 0 | 0 | 110.2 | L2368 L2383 L2389 L2394 L2407 L2413 E2415 L2416 N2417 | L2368-L2392 HydrophobicContact CB-CD1 4.09Å; L2368-L2392 HydrophobicContact CD2-CD1 3.96Å; L2368-L2392 HydrophobicContact CG-CD1 4.05Å; L2368-L2392 WeakPolarHBondContact O-CA 3.36Å; L2383-L2392 HydrophobicContact CD1-CD1 4.14Å; L2383-L2392 HydrophobicContact CD1-CD2 3.65Å; L2389-L2392 HydrophobicContact CD2-CB 4.42Å; L2392-L2394 HydrophobicContact CD1-CD2 4.2Å; L2392-L2394 HydrophobicContact CD1-CG 4.2Å; L2392-L2394 HydrophobicContact CD2-CD1 4.13Å; L2392-L2394 HydrophobicContact CD2-CG 4.47Å; L2392-L2394 HydrophobicContact CG-CD1 4.23Å; L2392-L2394 HydrophobicContact CG-CG 4.12Å; L2392-L2407 HydrophobicContact CD2-CD1 4.07Å; L2392-L2407 HydrophobicContact CD2-CD2 3.48Å; L2392-L2407 VanDerWaalsContact CD2-CD2 3.47Å; L2392-L2407 HydrophobicContact CD2-CG 4.44Å; L2392-L2413 HydrophobicContact CB-CD1 3.82Å; L2392-L2413 HydrophobicContact CB-CD2 4.46Å; L2392-E2415 PolarHBondContact N-O 3Å; L2392-L2416 HydrophobicContact CB-CD1 4.24Å; L2392-L2416 HydrophobicContact CD2-CD1 3.98Å; L2392-L2416 HydrophobicContact CG-CD1 4.16Å; L2392-L2416 WeakPolarHBondContact O-CA 3.36Å; L2392-N2417 PolarHBondContact O-N 3.12Å |
| 2393 | N | 96.4 | Very high | 94 | Very high | 25.25 Ų | 25.25 | 32.9 Ų | 32.9 | 14% | 0.135 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 117.2 | 177.8 | 180 | 25.2 | 0 | 0 | 0 | 111.4 | L2368 S2369 I2370 A2371 K2395 N2417 | L2368-N2393 PolarHBondContact O-N 2.99Å; S2369-N2393 PolarHBondContact OG-ND2 3.06Å; I2370-N2393 PolarHBondContact N-O 2.9Å; A2371-N2393 WeakPolarHBondContact CB-ND2 3.35Å; N2393-K2395 VanDerWaalsContact OD1-CB 3.26Å; N2393-K2395 WeakPolarHBondContact OD1-CB 3.26Å; N2393-K2395 PolarHBondContact OD1-N 3.24Å; N2393-K2395 VanDerWaalsContact OD1-N 3.11Å; N2393-N2417 HydrophobicContact CB-CB 4.41Å; N2393-N2417 WeakPolarHBondContact OD1-CB 3.12Å; N2393-N2417 PolarHBondContact OD1-ND2 3.19Å |
| 2394 | L | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -125 | 23.2 | 177.5 | -59.2 | 173.6 | 0 | 0 | 0 | 111 | I2370 L2375 I2378 L2392 N2397 I2399 N2417 L2418 N2421 | I2370-L2394 HydrophobicContact CB-CD2 4.18Å; I2370-L2394 HydrophobicContact CD1-CD2 4.49Å; I2370-L2394 HydrophobicContact CG1-CD2 4.42Å; L2375-L2394 HydrophobicContact CD1-CD2 3.95Å; I2378-L2394 HydrophobicContact CB-CD1 4.49Å; I2378-L2394 HydrophobicContact CG1-CD1 4.33Å; I2378-L2394 HydrophobicContact CG2-CD1 4.09Å; L2392-L2394 HydrophobicContact CD1-CD2 4.2Å; L2392-L2394 HydrophobicContact CD1-CG 4.2Å; L2392-L2394 HydrophobicContact CD2-CD1 4.13Å; L2392-L2394 HydrophobicContact CD2-CG 4.47Å; L2392-L2394 HydrophobicContact CG-CD1 4.23Å; L2392-L2394 HydrophobicContact CG-CG 4.12Å; L2394-N2397 PolarHBondContact O-ND2 3.27Å; L2394-I2399 HydrophobicContact CB-CD1 3.92Å; L2394-I2399 HydrophobicContact CD1-CD1 4.05Å; L2394-I2399 HydrophobicContact CG-CD1 4.48Å; L2394-N2417 CarbonylContact C-O 3.32Å; L2394-N2417 WeakPolarHBondContact CA-O 3.48Å; L2394-N2417 PolarHBondContact N-O 3.25Å; L2394-L2418 HydrophobicContact CB-CD2 4.18Å; L2394-L2418 HydrophobicContact CD1-CD2 4.13Å; L2394-N2421 PolarHBondContact O-ND2 3.14Å; L2394-N2421 VanDerWaalsContact O-ND2 3.16Å | ||
| 2395 | K | 95.7 | Very high | 93.8 | Very high | 56.25 Ų | 56.25 | 36.6 Ų | 36.6 | 25% | 0.245 | 20% | 0.202 | C | C | . | . | trans | -55.2 | 141.4 | 179.4 | 176.8 | 178.6 | 178.5 | -164.8 | 0 | 111.9 | T1837 E1844 A2371 H2372 N2393 N2397 A2419 C2420 | T1837-K2395 PolarHBondContact O-NZ 3.02Å; E1844-K2395 WeakPolarHBondContact OE1-CE 3.34Å; E1844-K2395 IonicContact OE1-NZ 2.95Å; E1844-K2395 PolarHBondContact OE1-NZ 3.3Å; E1844-K2395 IonicContact OE2-NZ 3.28Å; A2371-K2395 CarbonylContact C-O 3.37Å; A2371-K2395 WeakPolarHBondContact CA-O 3.43Å; A2371-K2395 HydrophobicContact CB-CB 4.09Å; A2371-K2395 VanDerWaalsContact CB-O 3.25Å; A2371-K2395 WeakPolarHBondContact CB-O 3.35Å; H2372-K2395 PolarHBondContact N-O 3.09Å; H2372-K2395 PolarHBondContact NE2-NZ 3.17Å; N2393-K2395 VanDerWaalsContact OD1-CB 3.26Å; N2393-K2395 WeakPolarHBondContact OD1-CB 3.26Å; N2393-K2395 PolarHBondContact OD1-N 3.24Å; N2393-K2395 VanDerWaalsContact OD1-N 3.11Å; K2395-N2397 PolarHBondContact O-N 3.05Å; K2395-N2397 PolarHBondContact O-ND2 2.95Å; K2395-A2419 CarbonylContact C-O 3.13Å; K2395-A2419 VanDerWaalsContact CA-O 3.24Å; K2395-A2419 WeakPolarHBondContact CA-O 3.29Å; K2395-A2419 HydrophobicContact CD-CB 4.39Å; K2395-A2419 HydrophobicContact CG-CB 4.17Å; K2395-C2420 HydrophobicContact CG-CB 4.11Å | ||
| 2396 | C | 96.5 | Very high | 93.8 | Very high | 16.25 Ų | 16.25 | 35.5 Ų | 35.5 | 11% | 0.11 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 55.9 | 60.1 | 177.8 | -64 | 0 | 0 | 0 | 0 | 112.8 | H2372 N2373 A2419 C2420 | H2372-C2396 CarbonylContact C-O 3.37Å; H2372-C2396 WeakPolarHBondContact CA-O 3.36Å; H2372-C2396 HydrophobicContact CB-CB 4.46Å; H2372-C2396 PolarHBondContact CE1-SG 3Å; H2372-C2396 VanDerWaalsContact CE1-SG 3.52Å; H2372-C2396 PolarHBondContact N-O 3.12Å; H2372-C2396 VanDerWaalsContact ND1-CB 3.29Å; H2372-C2396 WeakPolarHBondContact ND1-CB 3.29Å; N2373-C2396 PolarHBondContact N-O 3.1Å; N2373-C2396 VanDerWaalsContact N-O 3.09Å; C2396-A2419 PolarHBondContact N-O 3.2Å; C2396-A2419 VanDerWaalsContact N-O 3.09Å; C2396-C2420 WeakPolarHBondContact CA-O 3.28Å; C2396-C2420 WeakPolarHBondContact CA-SG 3.41Å; C2396-C2420 HydrophobicContact CB-CB 3.99Å; C2396-C2420 WeakPolarHBondContact CB-SG 3.29Å; C2396-C2420 PolarHBondContact N-O 3.32Å; C2396-C2420 WeakPolarHBondContact SG-CB 3.29Å; C2396-C2420 CovalentContact SG-SG 2.05Å; C2396-C2420 PolarHBondContact SG-SG 2.93Å |
| 2397 | N | 96.3 | Very high | 93.7 | Very high | 6.5 Ų | 6.5 | 35.3 Ų | 35.3 | 4% | 0.035 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -119.8 | -172.9 | 166.1 | -82.4 | -85.6 | 0 | 0 | 0 | 108.9 | I2370 N2373 K2374 L2375 L2394 K2395 I2399 C2420 N2421 | I2370-N2397 PolarHBondContact O-ND2 3.02Å; N2373-N2397 WeakPolarHBondContact CA-OD1 3.35Å; N2373-N2397 WeakPolarHBondContact CB-OD1 3.3Å; N2373-N2397 WeakPolarHBondContact O-CA 3.38Å; N2373-N2397 PolarHBondContact O-OD1 2.93Å; K2374-N2397 PolarHBondContact N-OD1 3.12Å; L2375-N2397 HydrophobicContact CB-CB 4.17Å; L2375-N2397 VanDerWaalsContact CB-OD1 3.3Å; L2375-N2397 WeakPolarHBondContact CB-OD1 3.37Å; L2375-N2397 WeakPolarHBondContact CG-OD1 3.34Å; L2375-N2397 PolarHBondContact N-OD1 3.15Å; L2394-N2397 PolarHBondContact O-ND2 3.27Å; K2395-N2397 PolarHBondContact O-N 3.05Å; K2395-N2397 PolarHBondContact O-ND2 2.95Å; N2397-I2399 VanDerWaalsContact C-N 3.32Å; N2397-I2399 HydrophobicContact CB-CD1 4.22Å; N2397-I2399 HydrophobicContact CB-CG1 3.96Å; N2397-C2420 PolarHBondContact N-O 3.02Å; N2397-N2421 VanDerWaalsContact CA-OD1 3.31Å; N2397-N2421 WeakPolarHBondContact CA-OD1 3.29Å; N2397-N2421 VanDerWaalsContact CB-OD1 3.26Å; N2397-N2421 WeakPolarHBondContact CB-OD1 3.34Å; N2397-N2421 PolarHBondContact N-OD1 3.15Å; N2397-N2421 PolarHBondContact O-OD1 3.07Å |
| 2398 | N | 96.7 | Very high | 93.7 | Very high | 56.75 Ų | 56.75 | 35.9 Ų | 35.9 | 30% | 0.303 | 19% | 0.193 | S | C | . | . | trans | -98.6 | 28.1 | 175.9 | -65.4 | -43.2 | 0 | 0 | 0 | 112 | K2374 L2375 T2376 G2400 Q2422 | K2374-N2398 PolarHBondContact O-ND2 3.01Å; L2375-N2398 CarbonylContact O-C 3.29Å; L2375-N2398 VanDerWaalsContact O-C 3.22Å; L2375-N2398 VanDerWaalsContact O-CA 3.28Å; L2375-N2398 WeakPolarHBondContact O-CA 3.35Å; L2375-N2398 WeakPolarHBondContact O-CB 3.44Å; L2375-N2398 PolarHBondContact O-N 3.17Å; T2376-N2398 WeakPolarHBondContact CA-O 3.23Å; T2376-N2398 HydrophobicContact CG2-CB 4.22Å; N2398-G2400 PolarHBondContact O-N 2.73Å; N2398-G2400 VanDerWaalsContact O-N 3.16Å; N2398-Q2422 PolarHBondContact OD1-NE2 3.26Å; N2398-Q2422 VanDerWaalsContact OD1-NE2 3.14Å | ||
| 2399 | I | 96.6 | Very high | 93.4 | Very high | 1.5 Ų | 1.5 | 40 Ų | 40 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | trans | -67.1 | 119.1 | -171.7 | -60.9 | 173.8 | 0 | 0 | 0 | 109.8 | L2375 T2376 I2378 L2394 N2397 L2418 N2421 Q2422 I2423 | L2375-I2399 PolarHBondContact O-N 3.09Å; T2376-I2399 WeakPolarHBondContact O-CA 3.38Å; I2378-I2399 HydrophobicContact CG1-CD1 4.22Å; I2378-I2399 HydrophobicContact CG1-CG2 4.16Å; L2394-I2399 HydrophobicContact CB-CD1 3.92Å; L2394-I2399 HydrophobicContact CD1-CD1 4.05Å; L2394-I2399 HydrophobicContact CG-CD1 4.48Å; N2397-I2399 VanDerWaalsContact C-N 3.32Å; N2397-I2399 HydrophobicContact CB-CD1 4.22Å; N2397-I2399 HydrophobicContact CB-CG1 3.96Å; I2399-L2418 HydrophobicContact CD1-CD2 3.92Å; I2399-N2421 HydrophobicContact CB-CB 4.22Å; I2399-N2421 VanDerWaalsContact CB-OD1 3.26Å; I2399-N2421 WeakPolarHBondContact CB-OD1 3.48Å; I2399-N2421 WeakPolarHBondContact CG1-OD1 3.34Å; I2399-N2421 PolarHBondContact N-OD1 3.3Å; I2399-Q2422 CarbonylContact O-C 3.4Å; I2399-Q2422 VanDerWaalsContact O-C 3.26Å; I2399-Q2422 VanDerWaalsContact O-CA 3.31Å; I2399-Q2422 WeakPolarHBondContact O-CA 3.14Å; I2399-Q2422 PolarHBondContact O-N 3.18Å; I2399-I2423 HydrophobicContact CG2-CD1 4.47Å; I2399-I2423 HydrophobicContact CG2-CG1 4.34Å; I2399-I2423 WeakPolarHBondContact O-CG1 3.33Å; I2399-I2423 PolarHBondContact O-N 3.27Å | ||
| 2400 | G | 94.9 | Very high | 93.2 | Very high | 24.25 Ų | 24.25 | 40.1 Ų | 40.1 | 25% | 0.25 | 21% | 0.213 | C | C | . | . | trans | -83.4 | -161.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | T2376 N2398 I2423 | T2376-G2400 PolarHBondContact O-N 3Å; N2398-G2400 PolarHBondContact O-N 2.73Å; N2398-G2400 VanDerWaalsContact O-N 3.16Å; G2400-I2423 WeakPolarHBondContact O-CG1 3.37Å | ||
| 2401 | N | 96.4 | Very high | 92.8 | Very high | 59.3333 Ų | 59.3333 | 41.2 Ų | 41.2 | 32% | 0.317 | 23% | 0.225 | S | C | . | . | trans | -61.1 | 136 | 179.2 | -60.8 | -42.8 | 0 | 0 | 0 | 112.7 | Y2403 C2424 K2425 | N2401-Y2403 HydrophobicContact CB-CD2 4.26Å; N2401-Y2403 HydrophobicContact CB-CE1 4.29Å; N2401-Y2403 HydrophobicContact CB-CE2 3.5Å; N2401-Y2403 VanDerWaalsContact CB-CE2 3.49Å; N2401-Y2403 VanDerWaalsContact CB-CZ 3.47Å; N2401-Y2403 WeakPolarHBondContact CB-OH 3.02Å; N2401-Y2403 PolarHBondContact ND2-OH 3.32Å; N2401-Y2403 VanDerWaalsContact ND2-OH 3.11Å; N2401-Y2403 PolarHBondContact O-N 3.08Å; N2401-C2424 WeakPolarHBondContact OD1-CA 3.26Å; N2401-C2424 WeakPolarHBondContact OD1-CB 3.22Å; N2401-C2424 PolarHBondContact OD1-N 2.99Å; N2401-K2425 VanDerWaalsContact CA-O 3.3Å; N2401-K2425 WeakPolarHBondContact CA-O 3.29Å; N2401-K2425 HydrophobicContact CB-CB 4.32Å; N2401-K2425 WeakPolarHBondContact CB-O 3.07Å; N2401-K2425 PolarHBondContact OD1-N 3.06Å | ||
| 2402 | I | 95.8 | Very high | 92.7 | Very high | 10 Ų | 10 | 46 Ų | 46 | 5% | 0.051 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -99 | 100.4 | -173 | -51 | 168.1 | 0 | 0 | 0 | 109.9 | I2378 L2418 I2423 K2425 I2426 S2427 A2430 F2431 | I2378-I2402 HydrophobicContact CD1-CD1 3.76Å; I2378-I2402 HydrophobicContact CD1-CG1 4.36Å; I2402-L2418 HydrophobicContact CD1-CD1 4.1Å; I2402-I2423 HydrophobicContact CD1-CD1 3.99Å; I2402-I2423 HydrophobicContact CD1-CG1 4.46Å; I2402-I2423 HydrophobicContact CD1-CG2 4.31Å; I2402-I2423 HydrophobicContact CG1-CG2 4.37Å; I2402-K2425 PolarHBondContact N-O 3.1Å; I2402-I2426 HydrophobicContact CB-CG2 4.42Å; I2402-I2426 HydrophobicContact CD1-CD1 4.45Å; I2402-I2426 HydrophobicContact CD1-CG1 4.4Å; I2402-I2426 CarbonylContact O-C 3.08Å; I2402-I2426 WeakPolarHBondContact O-CA 3.39Å; I2402-S2427 WeakPolarHBondContact O-CB 3.39Å; I2402-S2427 PolarHBondContact O-N 3.04Å; I2402-S2427 PolarHBondContact O-OG 3.4Å; I2402-A2430 HydrophobicContact CB-CB 4.36Å; I2402-A2430 HydrophobicContact CG2-CB 3.71Å; I2402-F2431 HydrophobicContact CD1-CE1 4.24Å; I2402-F2431 HydrophobicContact CD1-CZ 4.01Å |
| 2403 | Y | 92.5 | Very high | 92.6 | Very high | 143.667 Ų | 143.667 | 46 Ų | 46 | 56% | 0.563 | 24% | 0.24 | S | C | * | . | trans | -100.8 | -24.7 | -177.9 | -61.4 | -64.8 | 0 | 0 | 0 | 114.8 | N2401 S2427 | N2401-Y2403 HydrophobicContact CB-CD2 4.26Å; N2401-Y2403 HydrophobicContact CB-CE1 4.29Å; N2401-Y2403 HydrophobicContact CB-CE2 3.5Å; N2401-Y2403 VanDerWaalsContact CB-CE2 3.49Å; N2401-Y2403 VanDerWaalsContact CB-CZ 3.47Å; N2401-Y2403 WeakPolarHBondContact CB-OH 3.02Å; N2401-Y2403 PolarHBondContact ND2-OH 3.32Å; N2401-Y2403 VanDerWaalsContact ND2-OH 3.11Å; N2401-Y2403 PolarHBondContact O-N 3.08Å; Y2403-S2427 VanDerWaalsContact C-OG 3.31Å; Y2403-S2427 WeakPolarHBondContact CA-OG 3.47Å; Y2403-S2427 PolarHBondContact O-OG 3.2Å | ||
| 2404 | T | 89.7 | Confident | 92.3 | Very high | 97 Ų | 97 | 47.3 Ų | 47.3 | 60% | 0.595 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -98 | 153.2 | -176.6 | 46.6 | 0 | 0 | 0 | 0 | 112 | A2406 A2430 | T2404-A2406 PolarHBondContact O-N 3.12Å; T2404-A2406 VanDerWaalsContact O-N 3.08Å; T2404-A2430 WeakPolarHBondContact O-CA 3.46Å |
| 2405 | P | 90.8 | Very high | 92 | Very high | 51.3333 Ų | 51.3333 | 49.5 Ų | 49.5 | 33% | 0.333 | 26% | 0.256 | S | S | . | . | trans | -64.4 | 106.6 | 170.8 | -18.9 | 32.1 | 0 | 0 | 0 | 110.5 | Q2408 P2433 | P2405-Q2408 WeakPolarHBondContact O-CG 3.23Å; P2405-Q2408 PolarHBondContact O-NE2 3.21Å; P2405-P2433 HydrophobicContact CB-CG 4.28Å | ||
| 2406 | A | 87.4 | Confident | 92.1 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 2% | 0.017 | 25% | 0.245 | C | C | . | . | trans | -84.2 | 162.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I2378 T2380 T2404 Q2408 A2430 | I2378-A2406 HydrophobicContact CD1-CB 4.21Å; I2378-A2406 HydrophobicContact CG2-CB 4.39Å; T2380-A2406 WeakPolarHBondContact OG1-CA 3.4Å; T2404-A2406 PolarHBondContact O-N 3.12Å; T2404-A2406 VanDerWaalsContact O-N 3.08Å; A2406-Q2408 VanDerWaalsContact C-N 3.3Å; A2406-Q2408 PolarHBondContact O-N 3.11Å; A2406-A2430 PolarHBondContact N-O 3.05Å | ||
| 2407 | L | 90.4 | Very high | 92 | Very high | 0.333333 Ų | 0.333333 | 46.8 Ų | 46.8 | 0% | 0.002 | 24% | 0.243 | C | C | . | . | S | Bend | trans | 56.1 | 43.2 | 167.4 | -58.2 | 166.5 | 0 | 0 | 0 | 113.9 | I2378 T2380 L2383 L2392 N2409 V2410 L2413 L2416 I2434 | I2378-L2407 HydrophobicContact CG2-CD1 4.32Å; I2378-L2407 HydrophobicContact CG2-CD2 3.86Å; I2378-L2407 HydrophobicContact CG2-CG 3.95Å; T2380-L2407 VanDerWaalsContact CG2-N 3.33Å; T2380-L2407 PolarHBondContact OG1-N 3.24Å; T2380-L2407 VanDerWaalsContact OG1-N 3.1Å; L2383-L2407 HydrophobicContact CB-CD2 4.37Å; L2383-L2407 HydrophobicContact CD1-CD2 3.63Å; L2392-L2407 HydrophobicContact CD2-CD1 4.07Å; L2392-L2407 HydrophobicContact CD2-CD2 3.48Å; L2392-L2407 VanDerWaalsContact CD2-CD2 3.47Å; L2392-L2407 HydrophobicContact CD2-CG 4.44Å; L2407-N2409 PolarHBondContact O-N 2.89Å; L2407-V2410 HydrophobicContact CB-CB 4.35Å; L2407-V2410 HydrophobicContact CB-CG2 4Å; L2407-V2410 HydrophobicContact CD2-CG2 4.31Å; L2407-V2410 WeakPolarHBondContact O-CG2 3.31Å; L2407-V2410 PolarHBondContact O-N 3.39Å; L2407-L2413 HydrophobicContact CD1-CD2 3.84Å; L2407-L2416 HydrophobicContact CD1-CD1 4.01Å; L2407-L2416 HydrophobicContact CD1-CD2 3.8Å; L2407-L2416 HydrophobicContact CD1-CG 4.49Å; L2407-I2434 HydrophobicContact CB-CG2 4.03Å; L2407-I2434 HydrophobicContact CD1-CD1 4.05Å |
| 2408 | Q | 87.3 | Confident | 92.1 | Very high | 94.6667 Ų | 94.6667 | 46.5 Ų | 46.5 | 44% | 0.442 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 134.3 | 179.7 | -60.4 | -178.2 | 25.6 | 0 | 0 | 111.4 | T2380 P2405 A2406 V2410 P2433 | T2380-Q2408 HydrophobicContact CG2-CB 4.44Å; T2380-Q2408 HydrophobicContact CG2-CG 4.28Å; P2405-Q2408 WeakPolarHBondContact O-CG 3.23Å; P2405-Q2408 PolarHBondContact O-NE2 3.21Å; A2406-Q2408 VanDerWaalsContact C-N 3.3Å; A2406-Q2408 PolarHBondContact O-N 3.11Å; Q2408-V2410 PolarHBondContact O-N 3.09Å; Q2408-P2433 HydrophobicContact CG-CG 4.38Å |
| 2409 | N | 84.5 | Confident | 92 | Very high | 111.333 Ų | 111.333 | 44 Ų | 44 | 60% | 0.595 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 12.6 | -176.3 | -60.6 | -25.7 | 0 | 0 | 0 | 116.5 | L2407 S2411 | L2407-N2409 PolarHBondContact O-N 2.89Å; N2409-S2411 PolarHBondContact O-N 3.04Å |
| 2410 | V | 91 | Very high | 92 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | trans | -79.8 | 58.9 | 169.9 | -165.7 | 0 | 0 | 0 | 0 | 110 | L2383 L2389 L2407 Q2408 R2412 L2413 | L2383-V2410 HydrophobicContact CB-CG2 4.31Å; L2383-V2410 VanDerWaalsContact O-CG2 3.31Å; L2383-V2410 WeakPolarHBondContact O-CG2 3.13Å; L2389-V2410 HydrophobicContact CB-CG1 4.07Å; L2389-V2410 HydrophobicContact CD2-CG1 4.02Å; L2389-V2410 HydrophobicContact CG-CG1 4.44Å; L2407-V2410 HydrophobicContact CB-CB 4.35Å; L2407-V2410 HydrophobicContact CB-CG2 4Å; L2407-V2410 HydrophobicContact CD2-CG2 4.31Å; L2407-V2410 WeakPolarHBondContact O-CG2 3.31Å; L2407-V2410 PolarHBondContact O-N 3.39Å; Q2408-V2410 PolarHBondContact O-N 3.09Å; V2410-R2412 PolarHBondContact O-N 3.16Å; V2410-L2413 HydrophobicContact CG1-CB 4.02Å; V2410-L2413 HydrophobicContact CG1-CD1 4.28Å; V2410-L2413 PolarHBondContact O-N 2.95Å; V2410-L2413 VanDerWaalsContact O-N 3.14Å | ||
| 2411 | S | 83.5 | Confident | 92.1 | Very high | 74 Ų | 74 | 44.6 Ų | 44.6 | 52% | 0.517 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | 18.9 | -162.1 | 71.4 | 0 | 0 | 0 | 0 | 116 | N2409 T2437 | N2409-S2411 PolarHBondContact O-N 3.04Å; S2411-T2437 WeakPolarHBondContact O-CG2 3.35Å |
| 2412 | R | 90.8 | Very high | 92.1 | Very high | 135 Ų | 135 | 46.5 Ų | 46.5 | 51% | 0.509 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -137.6 | 7 | 175.1 | -64.5 | -163.6 | -178.8 | 140.1 | -2.8 | 113.8 | E2387 L2389 L2390 V2410 I2414 | E2387-R2412 VanDerWaalsContact O-CD 3.24Å; E2387-R2412 WeakPolarHBondContact O-CD 3.49Å; E2387-R2412 WeakPolarHBondContact O-CG 3.31Å; E2387-R2412 PolarHBondContact O-NE 2.84Å; E2387-R2412 PolarHBondContact O-NH1 2.97Å; L2389-R2412 CarbonylContact O-C 3.4Å; L2389-R2412 VanDerWaalsContact O-C 3.29Å; L2390-R2412 HydrophobicContact CD2-CB 3.74Å; L2390-R2412 VanDerWaalsContact CD2-O 3.28Å; L2390-R2412 WeakPolarHBondContact CD2-O 3.29Å; V2410-R2412 PolarHBondContact O-N 3.16Å; R2412-I2414 WeakPolarHBondContact O-CG1 3.47Å; R2412-I2414 PolarHBondContact O-N 3.02Å |
| 2413 | L | 93.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -61.4 | 124.2 | -178.6 | -161.3 | 70.1 | 0 | 0 | 0 | 110.4 | L2389 L2392 L2407 V2410 L2416 I2434 T2437 L2438 | L2389-L2413 HydrophobicContact CD2-CD1 4.4Å; L2389-L2413 HydrophobicContact CG-CD1 4.23Å; L2389-L2413 PolarHBondContact O-N 3Å; L2392-L2413 HydrophobicContact CB-CD1 3.82Å; L2392-L2413 HydrophobicContact CB-CD2 4.46Å; L2407-L2413 HydrophobicContact CD1-CD2 3.84Å; V2410-L2413 HydrophobicContact CG1-CB 4.02Å; V2410-L2413 HydrophobicContact CG1-CD1 4.28Å; V2410-L2413 PolarHBondContact O-N 2.95Å; V2410-L2413 VanDerWaalsContact O-N 3.14Å; L2413-L2416 HydrophobicContact CD2-CB 4.13Å; L2413-L2416 HydrophobicContact CD2-CD1 4.48Å; L2413-I2434 HydrophobicContact CB-CG2 4.36Å; L2413-I2434 HydrophobicContact CD2-CD1 4.14Å; L2413-I2434 HydrophobicContact CD2-CG2 4.41Å; L2413-T2437 CarbonylContact O-C 3.47Å; L2413-T2437 VanDerWaalsContact O-CB 3.32Å; L2413-T2437 WeakPolarHBondContact O-CB 3.35Å; L2413-T2437 PolarHBondContact O-OG1 3.05Å; L2413-L2438 HydrophobicContact CB-CD1 4.46Å; L2413-L2438 HydrophobicContact CD2-CD1 4.05Å; L2413-L2438 HydrophobicContact CG-CD1 3.99Å; L2413-L2438 VanDerWaalsContact O-CA 3.3Å; L2413-L2438 WeakPolarHBondContact O-CA 3.36Å; L2413-L2438 PolarHBondContact O-N 3.16Å; L2413-L2438 VanDerWaalsContact O-N 3.15Å | ||
| 2414 | I | 90.6 | Very high | 92.4 | Very high | 52 Ų | 52 | 41.8 Ų | 41.8 | 27% | 0.267 | 22% | 0.224 | S | C | . | . | trans | -105.1 | -36.9 | -179.4 | -72.8 | 175.5 | 0 | 0 | 0 | 109.8 | L2390 R2412 Q2439 S2440 | L2390-I2414 HydrophobicContact CB-CD1 4.46Å; L2390-I2414 HydrophobicContact CD1-CD1 4.42Å; L2390-I2414 HydrophobicContact CD2-CD1 4.16Å; L2390-I2414 HydrophobicContact CD2-CG1 4.45Å; L2390-I2414 WeakPolarHBondContact O-CA 3.29Å; L2390-I2414 WeakPolarHBondContact O-CB 3.19Å; L2390-I2414 PolarHBondContact O-N 3.26Å; R2412-I2414 WeakPolarHBondContact O-CG1 3.47Å; R2412-I2414 PolarHBondContact O-N 3.02Å; I2414-Q2439 HydrophobicContact CG2-CB 3.97Å; I2414-Q2439 HydrophobicContact CG2-CG 4.24Å; I2414-Q2439 WeakPolarHBondContact O-CA 3.35Å; I2414-Q2439 WeakPolarHBondContact O-CB 3.49Å; I2414-Q2439 PolarHBondContact O-N 3.03Å; I2414-S2440 PolarHBondContact O-N 3.19Å | ||
| 2415 | E | 92.1 | Very high | 92.6 | Very high | 46 Ų | 46 | 43.1 Ų | 43.1 | 22% | 0.215 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 133.1 | -177.9 | -177.9 | 173.7 | 149.6 | 0 | 0 | 111.6 | L2390 V2391 L2392 S2440 | L2390-E2415 PolarHBondContact O-N 3.12Å; L2390-E2415 VanDerWaalsContact O-N 3.08Å; V2391-E2415 WeakPolarHBondContact CA-O 3.46Å; V2391-E2415 HydrophobicContact CB-CB 4.34Å; V2391-E2415 HydrophobicContact CG1-CB 4.2Å; V2391-E2415 HydrophobicContact CG1-CG 4.21Å; V2391-E2415 HydrophobicContact CG2-CB 4.18Å; L2392-E2415 PolarHBondContact N-O 3Å; E2415-S2440 WeakPolarHBondContact CA-O 3.35Å |
| 2416 | L | 96 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 112.8 | 176 | 176.9 | 57.4 | 0 | 0 | 0 | 109.2 | L2392 L2407 L2413 L2418 F2431 I2434 L2438 S2440 L2441 I2442 | L2392-L2416 HydrophobicContact CB-CD1 4.24Å; L2392-L2416 HydrophobicContact CD2-CD1 3.98Å; L2392-L2416 HydrophobicContact CG-CD1 4.16Å; L2392-L2416 WeakPolarHBondContact O-CA 3.36Å; L2407-L2416 HydrophobicContact CD1-CD1 4.01Å; L2407-L2416 HydrophobicContact CD1-CD2 3.8Å; L2407-L2416 HydrophobicContact CD1-CG 4.49Å; L2413-L2416 HydrophobicContact CD2-CB 4.13Å; L2413-L2416 HydrophobicContact CD2-CD1 4.48Å; L2416-L2418 HydrophobicContact CD1-CD1 4.36Å; L2416-L2418 HydrophobicContact CD1-CD2 4.43Å; L2416-L2418 HydrophobicContact CD1-CG 4.1Å; L2416-L2418 HydrophobicContact CD2-CD1 3.88Å; L2416-L2418 HydrophobicContact CD2-CG 4.46Å; L2416-L2418 HydrophobicContact CG-CD1 3.97Å; L2416-L2418 HydrophobicContact CG-CG 4.04Å; L2416-F2431 HydrophobicContact CD2-CD1 4.35Å; L2416-F2431 HydrophobicContact CD2-CE1 3.96Å; L2416-I2434 HydrophobicContact CD2-CD1 3.88Å; L2416-L2438 HydrophobicContact CB-CD1 3.79Å; L2416-L2438 HydrophobicContact CB-CD2 4.29Å; L2416-S2440 PolarHBondContact N-O 3.09Å; L2416-S2440 VanDerWaalsContact N-O 3.11Å; L2416-L2441 HydrophobicContact CB-CD1 4.29Å; L2416-L2441 HydrophobicContact CD2-CD1 4.12Å; L2416-L2441 HydrophobicContact CG-CD1 4.25Å; L2416-I2442 PolarHBondContact O-N 3.15Å; L2416-I2442 VanDerWaalsContact O-N 3.08Å |
| 2417 | N | 96.3 | Very high | 93.3 | Very high | 15.6667 Ų | 15.6667 | 42.6 Ų | 42.6 | 8% | 0.084 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 111.9 | 176.7 | -169.7 | -9.5 | 0 | 0 | 0 | 110.8 | L2392 N2393 L2394 A2419 I2442 | L2392-N2417 PolarHBondContact O-N 3.12Å; N2393-N2417 HydrophobicContact CB-CB 4.41Å; N2393-N2417 WeakPolarHBondContact OD1-CB 3.12Å; N2393-N2417 PolarHBondContact OD1-ND2 3.19Å; L2394-N2417 CarbonylContact C-O 3.32Å; L2394-N2417 WeakPolarHBondContact CA-O 3.48Å; L2394-N2417 PolarHBondContact N-O 3.25Å; N2417-A2419 VanDerWaalsContact OD1-CB 3.25Å; N2417-A2419 WeakPolarHBondContact OD1-CB 3.35Å; N2417-A2419 PolarHBondContact OD1-N 3.13Å; N2417-I2442 HydrophobicContact CB-CB 4.44Å; N2417-I2442 HydrophobicContact CB-CD1 4.19Å |
| 2418 | L | 97.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -120.1 | 19.2 | 177.1 | -70.1 | 167.3 | 0 | 0 | 0 | 111 | I2378 L2394 I2399 I2402 L2416 N2421 I2423 F2431 I2442 L2443 N2446 | I2378-L2418 HydrophobicContact CD1-CD1 3.91Å; I2378-L2418 HydrophobicContact CD1-CD2 3.86Å; I2378-L2418 HydrophobicContact CG1-CD2 3.92Å; L2394-L2418 HydrophobicContact CB-CD2 4.18Å; L2394-L2418 HydrophobicContact CD1-CD2 4.13Å; I2399-L2418 HydrophobicContact CD1-CD2 3.92Å; I2402-L2418 HydrophobicContact CD1-CD1 4.1Å; L2416-L2418 HydrophobicContact CD1-CD1 4.36Å; L2416-L2418 HydrophobicContact CD1-CD2 4.43Å; L2416-L2418 HydrophobicContact CD1-CG 4.1Å; L2416-L2418 HydrophobicContact CD2-CD1 3.88Å; L2416-L2418 HydrophobicContact CD2-CG 4.46Å; L2416-L2418 HydrophobicContact CG-CD1 3.97Å; L2416-L2418 HydrophobicContact CG-CG 4.04Å; L2418-N2421 PolarHBondContact O-ND2 3.13Å; L2418-I2423 HydrophobicContact CB-CD1 3.92Å; L2418-I2423 HydrophobicContact CD1-CD1 4.34Å; L2418-I2423 HydrophobicContact CD2-CD1 4.49Å; L2418-I2423 HydrophobicContact CG-CD1 4.47Å; L2418-F2431 HydrophobicContact CD1-CE1 4.18Å; L2418-F2431 HydrophobicContact CD1-CZ 4.06Å; L2418-I2442 CarbonylContact C-O 3.41Å; L2418-I2442 WeakPolarHBondContact CA-O 3.41Å; L2418-I2442 PolarHBondContact N-O 2.91Å; L2418-L2443 HydrophobicContact CB-CD2 3.96Å; L2418-L2443 HydrophobicContact CD1-CD2 4.11Å; L2418-N2446 PolarHBondContact O-ND2 2.95Å | ||
| 2419 | A | 95.3 | Very high | 93.6 | Very high | 5.33333 Ų | 5.33333 | 41.6 Ų | 41.6 | 4% | 0.044 | 22% | 0.223 | C | C | . | . | trans | -60.2 | 157.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | K2395 C2396 N2417 N2421 I2442 D2444 | K2395-A2419 CarbonylContact C-O 3.13Å; K2395-A2419 VanDerWaalsContact CA-O 3.24Å; K2395-A2419 WeakPolarHBondContact CA-O 3.29Å; K2395-A2419 HydrophobicContact CD-CB 4.39Å; K2395-A2419 HydrophobicContact CG-CB 4.17Å; C2396-A2419 PolarHBondContact N-O 3.2Å; C2396-A2419 VanDerWaalsContact N-O 3.09Å; N2417-A2419 VanDerWaalsContact OD1-CB 3.25Å; N2417-A2419 WeakPolarHBondContact OD1-CB 3.35Å; N2417-A2419 PolarHBondContact OD1-N 3.13Å; A2419-N2421 PolarHBondContact O-N 3Å; A2419-N2421 PolarHBondContact O-ND2 2.95Å; A2419-I2442 HydrophobicContact CB-CG2 3.96Å; A2419-I2442 PolarHBondContact N-O 2.88Å; A2419-D2444 CarbonylContact C-O 3.18Å; A2419-D2444 WeakPolarHBondContact CA-O 3.34Å; A2419-D2444 HydrophobicContact CB-CB 3.94Å | ||
| 2420 | C | 96.4 | Very high | 94 | Very high | 25.3333 Ų | 25.3333 | 36.3 Ų | 36.3 | 17% | 0.171 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 59 | 55.8 | 173.9 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | K2395 C2396 N2397 D2444 H2445 C2712 | K2395-C2420 HydrophobicContact CG-CB 4.11Å; C2396-C2420 WeakPolarHBondContact CA-O 3.28Å; C2396-C2420 WeakPolarHBondContact CA-SG 3.41Å; C2396-C2420 HydrophobicContact CB-CB 3.99Å; C2396-C2420 WeakPolarHBondContact CB-SG 3.29Å; C2396-C2420 PolarHBondContact N-O 3.32Å; C2396-C2420 WeakPolarHBondContact SG-CB 3.29Å; C2396-C2420 CovalentContact SG-SG 2.05Å; C2396-C2420 PolarHBondContact SG-SG 2.93Å; N2397-C2420 PolarHBondContact N-O 3.02Å; C2420-D2444 PolarHBondContact N-O 3.08Å; C2420-H2445 VanDerWaalsContact CA-O 3.26Å; C2420-H2445 WeakPolarHBondContact CA-O 3.29Å; C2420-H2445 HydrophobicContact CB-CB 4.33Å; C2420-H2445 PolarHBondContact N-O 3.12Å; C2420-C2712 HydrophobicContact CB-CB 4.24Å; C2420-C2712 VanDerWaalsContact CB-SG 3.53Å; C2420-C2712 WeakPolarHBondContact SG-CB 3.37Å; C2420-C2712 PolarHBondContact SG-SG 2.81Å |
| 2421 | N | 96.9 | Very high | 94.2 | Very high | 13 Ų | 13 | 36.3 Ų | 36.3 | 7% | 0.07 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -137.3 | -174.6 | -179.6 | -84.2 | -78.7 | 0 | 0 | 0 | 109.9 | L2394 N2397 I2399 L2418 A2419 I2423 H2445 N2446 | L2394-N2421 PolarHBondContact O-ND2 3.14Å; L2394-N2421 VanDerWaalsContact O-ND2 3.16Å; N2397-N2421 VanDerWaalsContact CA-OD1 3.31Å; N2397-N2421 WeakPolarHBondContact CA-OD1 3.29Å; N2397-N2421 VanDerWaalsContact CB-OD1 3.26Å; N2397-N2421 WeakPolarHBondContact CB-OD1 3.34Å; N2397-N2421 PolarHBondContact N-OD1 3.15Å; N2397-N2421 PolarHBondContact O-OD1 3.07Å; I2399-N2421 HydrophobicContact CB-CB 4.22Å; I2399-N2421 VanDerWaalsContact CB-OD1 3.26Å; I2399-N2421 WeakPolarHBondContact CB-OD1 3.48Å; I2399-N2421 WeakPolarHBondContact CG1-OD1 3.34Å; I2399-N2421 PolarHBondContact N-OD1 3.3Å; L2418-N2421 PolarHBondContact O-ND2 3.13Å; A2419-N2421 PolarHBondContact O-N 3Å; A2419-N2421 PolarHBondContact O-ND2 2.95Å; N2421-I2423 HydrophobicContact CB-CD1 4.14Å; N2421-I2423 HydrophobicContact CB-CG1 4.08Å; N2421-H2445 PolarHBondContact N-O 2.87Å; N2421-N2446 WeakPolarHBondContact CA-OD1 3.47Å; N2421-N2446 WeakPolarHBondContact CB-OD1 3.36Å; N2421-N2446 PolarHBondContact O-OD1 3.13Å; N2421-N2446 VanDerWaalsContact O-OD1 3.1Å |
| 2422 | Q | 96.2 | Very high | 94.6 | Very high | 99.6667 Ų | 99.6667 | 38.1 Ų | 38.1 | 47% | 0.466 | 20% | 0.195 | S | C | . | . | trans | -107.3 | 32.5 | -175.5 | -54.4 | -176.3 | 24.4 | 0 | 0 | 111.6 | N2398 I2399 C2424 N2446 C2447 | N2398-Q2422 PolarHBondContact OD1-NE2 3.26Å; N2398-Q2422 VanDerWaalsContact OD1-NE2 3.14Å; I2399-Q2422 CarbonylContact O-C 3.4Å; I2399-Q2422 VanDerWaalsContact O-C 3.26Å; I2399-Q2422 VanDerWaalsContact O-CA 3.31Å; I2399-Q2422 WeakPolarHBondContact O-CA 3.14Å; I2399-Q2422 PolarHBondContact O-N 3.18Å; Q2422-C2424 PolarHBondContact O-N 3.15Å; Q2422-N2446 PolarHBondContact N-OD1 3.45Å; Q2422-C2447 VanDerWaalsContact C-SG 3.54Å; Q2422-C2447 PolarHBondContact O-SG 3.2Å | ||
| 2423 | I | 97.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -83.2 | 105.8 | -175.6 | -50.2 | 165.1 | 0 | 0 | 0 | 109.2 | I2399 G2400 I2402 L2418 N2421 I2426 L2443 N2446 C2447 L2448 | I2399-I2423 HydrophobicContact CG2-CD1 4.47Å; I2399-I2423 HydrophobicContact CG2-CG1 4.34Å; I2399-I2423 WeakPolarHBondContact O-CG1 3.33Å; I2399-I2423 PolarHBondContact O-N 3.27Å; G2400-I2423 WeakPolarHBondContact O-CG1 3.37Å; I2402-I2423 HydrophobicContact CD1-CD1 3.99Å; I2402-I2423 HydrophobicContact CD1-CG1 4.46Å; I2402-I2423 HydrophobicContact CD1-CG2 4.31Å; I2402-I2423 HydrophobicContact CG1-CG2 4.37Å; L2418-I2423 HydrophobicContact CB-CD1 3.92Å; L2418-I2423 HydrophobicContact CD1-CD1 4.34Å; L2418-I2423 HydrophobicContact CD2-CD1 4.49Å; L2418-I2423 HydrophobicContact CG-CD1 4.47Å; N2421-I2423 HydrophobicContact CB-CD1 4.14Å; N2421-I2423 HydrophobicContact CB-CG1 4.08Å; I2423-I2426 HydrophobicContact CG2-CD1 3.93Å; I2423-I2426 HydrophobicContact CG2-CG1 3.54Å; I2423-L2443 HydrophobicContact CD1-CD2 3.94Å; I2423-N2446 HydrophobicContact CB-CB 4.43Å; I2423-N2446 VanDerWaalsContact CB-OD1 3.24Å; I2423-N2446 WeakPolarHBondContact CB-OD1 3.4Å; I2423-N2446 VanDerWaalsContact CG1-OD1 3.31Å; I2423-N2446 WeakPolarHBondContact CG1-OD1 3.41Å; I2423-N2446 PolarHBondContact N-OD1 3.06Å; I2423-C2447 PolarHBondContact O-N 3.09Å; I2423-C2447 VanDerWaalsContact O-N 3.09Å; I2423-C2447 PolarHBondContact O-SG 3.07Å; I2423-C2447 VanDerWaalsContact O-SG 3.37Å; I2423-L2448 HydrophobicContact CG2-CD2 4.34Å; I2423-L2448 PolarHBondContact O-N 2.95Å | ||
| 2424 | C | 96.5 | Very high | 94.5 | Very high | 54.3333 Ų | 54.3333 | 34.4 Ų | 34.4 | 37% | 0.367 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -103.2 | -18.1 | 174.8 | -42.4 | 0 | 0 | 0 | 0 | 112.8 | N2401 Q2422 C2447 | N2401-C2424 WeakPolarHBondContact OD1-CA 3.26Å; N2401-C2424 WeakPolarHBondContact OD1-CB 3.22Å; N2401-C2424 PolarHBondContact OD1-N 2.99Å; Q2422-C2424 PolarHBondContact O-N 3.15Å; C2424-C2447 WeakPolarHBondContact CA-SG 3.34Å; C2424-C2447 HydrophobicContact CB-CB 3.94Å; C2424-C2447 WeakPolarHBondContact CB-SG 3.39Å; C2424-C2447 PolarHBondContact N-SG 3.25Å; C2424-C2447 WeakPolarHBondContact SG-CB 3.47Å; C2424-C2447 CovalentContact SG-SG 2.04Å; C2424-C2447 PolarHBondContact SG-SG 3.13Å |
| 2425 | K | 95.6 | Very high | 94.6 | Very high | 124 Ų | 124 | 33 Ų | 33 | 54% | 0.539 | 18% | 0.181 | S | C | . | . | trans | -145.4 | 144.4 | 178.7 | -65.4 | -165.9 | 174 | -163.9 | 0 | 111.6 | N2401 I2402 | N2401-K2425 VanDerWaalsContact CA-O 3.3Å; N2401-K2425 WeakPolarHBondContact CA-O 3.29Å; N2401-K2425 HydrophobicContact CB-CB 4.32Å; N2401-K2425 WeakPolarHBondContact CB-O 3.07Å; N2401-K2425 PolarHBondContact OD1-N 3.06Å; I2402-K2425 PolarHBondContact N-O 3.1Å | ||
| 2426 | I | 96.3 | Very high | 94.5 | Very high | 18 Ų | 18 | 33.6 Ų | 33.6 | 9% | 0.092 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -132.8 | 128.3 | 175.9 | -55.8 | -178.4 | 0 | 0 | 0 | 107.8 | I2402 I2423 A2430 F2431 L2443 L2448 P2452 A2455 | I2402-I2426 HydrophobicContact CB-CG2 4.42Å; I2402-I2426 HydrophobicContact CD1-CD1 4.45Å; I2402-I2426 HydrophobicContact CD1-CG1 4.4Å; I2402-I2426 CarbonylContact O-C 3.08Å; I2402-I2426 WeakPolarHBondContact O-CA 3.39Å; I2423-I2426 HydrophobicContact CG2-CD1 3.93Å; I2423-I2426 HydrophobicContact CG2-CG1 3.54Å; I2426-A2430 HydrophobicContact CG2-CB 3.51Å; I2426-A2430 VanDerWaalsContact CG2-CB 3.48Å; I2426-F2431 HydrophobicContact CD1-CE2 3.95Å; I2426-F2431 HydrophobicContact CD1-CZ 4.13Å; I2426-F2431 HydrophobicContact CG2-CD2 4.32Å; I2426-F2431 HydrophobicContact CG2-CE2 3.84Å; I2426-F2431 HydrophobicContact CG2-CZ 4.24Å; I2426-L2443 HydrophobicContact CD1-CD1 3.79Å; I2426-L2443 HydrophobicContact CD1-CD2 3.91Å; I2426-L2443 HydrophobicContact CD1-CG 4.46Å; I2426-L2448 HydrophobicContact CD1-CD2 4.49Å; I2426-L2448 HydrophobicContact CG1-CD2 4.41Å; I2426-P2452 HydrophobicContact CB-CB 4.06Å; I2426-P2452 HydrophobicContact CD1-CG 4.23Å; I2426-A2455 HydrophobicContact CG2-CB 3.92Å |
| 2427 | S | 94.6 | Very high | 94.4 | Very high | 24.3333 Ų | 24.3333 | 35.6 Ų | 35.6 | 17% | 0.17 | 21% | 0.211 | C | C | . | . | trans | -74.2 | 151.9 | 177.7 | 66 | 0 | 0 | 0 | 0 | 112.3 | I2402 Y2403 S2429 A2430 | I2402-S2427 WeakPolarHBondContact O-CB 3.39Å; I2402-S2427 PolarHBondContact O-N 3.04Å; I2402-S2427 PolarHBondContact O-OG 3.4Å; Y2403-S2427 VanDerWaalsContact C-OG 3.31Å; Y2403-S2427 WeakPolarHBondContact CA-OG 3.47Å; Y2403-S2427 PolarHBondContact O-OG 3.2Å; S2427-S2429 PolarHBondContact O-N 3.15Å; S2427-S2429 VanDerWaalsContact O-N 3.1Å; S2427-S2429 PolarHBondContact OG-OG 3.12Å; S2427-A2430 VanDerWaalsContact O-CB 3.23Å; S2427-A2430 WeakPolarHBondContact O-CB 3.28Å; S2427-A2430 PolarHBondContact O-N 3.2Å; S2427-A2430 PolarHBondContact OG-N 3.1Å | ||
| 2428 | G | 91.7 | Very high | 94.2 | Very high | 18 Ų | 18 | 34.8 Ų | 34.8 | 19% | 0.186 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -28.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 2429 | S | 92.3 | Very high | 93.9 | Very high | 56.3333 Ų | 56.3333 | 37.9 Ų | 37.9 | 39% | 0.394 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -8.5 | 178.5 | 51.9 | 0 | 0 | 0 | 0 | 114.9 | S2427 F2431 E2432 | S2427-S2429 PolarHBondContact O-N 3.15Å; S2427-S2429 VanDerWaalsContact O-N 3.1Å; S2427-S2429 PolarHBondContact OG-OG 3.12Å; S2429-F2431 VanDerWaalsContact C-N 3.31Å; S2429-F2431 PolarHBondContact O-N 2.93Å; S2429-E2432 PolarHBondContact O-N 3.16Å |
| 2430 | A | 93.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -42.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | I2402 T2404 A2406 I2426 S2427 | I2402-A2430 HydrophobicContact CB-CB 4.36Å; I2402-A2430 HydrophobicContact CG2-CB 3.71Å; T2404-A2430 WeakPolarHBondContact O-CA 3.46Å; A2406-A2430 PolarHBondContact N-O 3.05Å; I2426-A2430 HydrophobicContact CG2-CB 3.51Å; I2426-A2430 VanDerWaalsContact CG2-CB 3.48Å; S2427-A2430 VanDerWaalsContact O-CB 3.23Å; S2427-A2430 WeakPolarHBondContact O-CB 3.28Å; S2427-A2430 PolarHBondContact O-N 3.2Å; S2427-A2430 PolarHBondContact OG-N 3.1Å |
| 2431 | F | 94.3 | Very high | 93.7 | Very high | 1.33333 Ų | 1.33333 | 37.1 Ų | 37.1 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 8.2 | -176 | -56.4 | -47.8 | 0 | 0 | 0 | 114.1 | I2402 L2416 L2418 I2426 S2429 P2433 I2434 K2435 L2441 A2455 F2459 | I2402-F2431 HydrophobicContact CD1-CE1 4.24Å; I2402-F2431 HydrophobicContact CD1-CZ 4.01Å; L2416-F2431 HydrophobicContact CD2-CD1 4.35Å; L2416-F2431 HydrophobicContact CD2-CE1 3.96Å; L2418-F2431 HydrophobicContact CD1-CE1 4.18Å; L2418-F2431 HydrophobicContact CD1-CZ 4.06Å; I2426-F2431 HydrophobicContact CD1-CE2 3.95Å; I2426-F2431 HydrophobicContact CD1-CZ 4.13Å; I2426-F2431 HydrophobicContact CG2-CD2 4.32Å; I2426-F2431 HydrophobicContact CG2-CE2 3.84Å; I2426-F2431 HydrophobicContact CG2-CZ 4.24Å; S2429-F2431 VanDerWaalsContact C-N 3.31Å; S2429-F2431 PolarHBondContact O-N 2.93Å; F2431-P2433 VanDerWaalsContact C-N 3.31Å; F2431-I2434 HydrophobicContact CB-CD1 4.36Å; F2431-I2434 HydrophobicContact CB-CG1 4.11Å; F2431-I2434 HydrophobicContact CD1-CD1 4.13Å; F2431-I2434 VanDerWaalsContact O-CG1 3.28Å; F2431-I2434 WeakPolarHBondContact O-CG1 3.29Å; F2431-I2434 PolarHBondContact O-N 3.02Å; F2431-I2434 VanDerWaalsContact O-N 3.11Å; F2431-K2435 PolarHBondContact O-N 2.88Å; F2431-K2435 VanDerWaalsContact O-N 3.11Å; F2431-L2441 HydrophobicContact CD2-CD2 4.28Å; F2431-L2441 HydrophobicContact CE2-CD1 4.37Å; F2431-L2441 HydrophobicContact CE2-CD2 4Å; F2431-L2441 HydrophobicContact CZ-CD1 4.25Å; F2431-A2455 HydrophobicContact CD2-CB 4.36Å; F2431-F2459 HydrophobicContact CB-CE2 4.16Å; F2431-F2459 HydrophobicContact CB-CZ 3.74Å; F2431-F2459 HydrophobicContact CD2-CZ 4.43Å; F2431-F2459 HydrophobicContact CG-CZ 4.38Å |
| 2432 | E | 91.9 | Very high | 93.6 | Very high | 111 Ų | 111 | 37.2 Ų | 37.2 | 52% | 0.519 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -37.4 | -177.2 | -159.9 | 64.7 | -158.3 | 0 | 0 | 113.8 | S2429 I2434 K2435 | S2429-E2432 PolarHBondContact O-N 3.16Å; E2432-I2434 VanDerWaalsContact C-N 3.32Å; E2432-I2434 PolarHBondContact O-N 3.15Å; E2432-K2435 WeakPolarHBondContact O-CB 3.21Å; E2432-K2435 PolarHBondContact O-N 3.46Å; E2432-K2435 WeakPolarHBondContact OE2-CD 3.36Å; E2432-K2435 WeakPolarHBondContact OE2-CE 3.35Å; E2432-K2435 IonicContact OE2-NZ 3.2Å; E2432-K2435 PolarHBondContact OE2-NZ 2.95Å |
| 2433 | P | 91.1 | Very high | 93.7 | Very high | 56.6667 Ų | 56.6667 | 32.4 Ų | 32.4 | 37% | 0.368 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -28.5 | 177.2 | -25 | 36.5 | 0 | 0 | 0 | 115.7 | P2405 Q2408 F2431 | P2405-P2433 HydrophobicContact CB-CG 4.28Å; Q2408-P2433 HydrophobicContact CG-CG 4.38Å; F2431-P2433 VanDerWaalsContact C-N 3.31Å |
| 2434 | I | 92.9 | Very high | 93.5 | Very high | 0.666667 Ų | 0.666667 | 32.9 Ų | 32.9 | 0% | 0.003 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -3.3 | -175 | 59.3 | 172.7 | 0 | 0 | 0 | 113.3 | L2407 L2413 L2416 F2431 E2432 G2436 T2437 L2438 | L2407-I2434 HydrophobicContact CB-CG2 4.03Å; L2407-I2434 HydrophobicContact CD1-CD1 4.05Å; L2413-I2434 HydrophobicContact CB-CG2 4.36Å; L2413-I2434 HydrophobicContact CD2-CD1 4.14Å; L2413-I2434 HydrophobicContact CD2-CG2 4.41Å; L2416-I2434 HydrophobicContact CD2-CD1 3.88Å; F2431-I2434 HydrophobicContact CB-CD1 4.36Å; F2431-I2434 HydrophobicContact CB-CG1 4.11Å; F2431-I2434 HydrophobicContact CD1-CD1 4.13Å; F2431-I2434 VanDerWaalsContact O-CG1 3.28Å; F2431-I2434 WeakPolarHBondContact O-CG1 3.29Å; F2431-I2434 PolarHBondContact O-N 3.02Å; F2431-I2434 VanDerWaalsContact O-N 3.11Å; E2432-I2434 VanDerWaalsContact C-N 3.32Å; E2432-I2434 PolarHBondContact O-N 3.15Å; I2434-G2436 PolarHBondContact O-N 2.89Å; I2434-G2436 VanDerWaalsContact O-N 3.1Å; I2434-T2437 PolarHBondContact O-N 3.11Å; I2434-T2437 PolarHBondContact O-OG1 2.92Å; I2434-L2438 HydrophobicContact CD1-CD1 4.42Å; I2434-L2438 HydrophobicContact CD1-CD2 4.13Å; I2434-L2438 PolarHBondContact O-N 3.24Å |
| 2435 | K | 91.7 | Very high | 93.5 | Very high | 23.3333 Ų | 23.3333 | 33.6 Ų | 33.6 | 10% | 0.101 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -22 | -173.6 | -158.4 | 162.3 | -169.8 | 162.8 | 0 | 115.5 | F2431 E2432 A2455 R2457 F2459 S2461 | F2431-K2435 PolarHBondContact O-N 2.88Å; F2431-K2435 VanDerWaalsContact O-N 3.11Å; E2432-K2435 WeakPolarHBondContact O-CB 3.21Å; E2432-K2435 PolarHBondContact O-N 3.46Å; E2432-K2435 WeakPolarHBondContact OE2-CD 3.36Å; E2432-K2435 WeakPolarHBondContact OE2-CE 3.35Å; E2432-K2435 IonicContact OE2-NZ 3.2Å; E2432-K2435 PolarHBondContact OE2-NZ 2.95Å; K2435-A2455 WeakPolarHBondContact CE-O 3.39Å; K2435-A2455 PolarHBondContact NZ-O 3.19Å; K2435-R2457 VanDerWaalsContact CE-O 3.26Å; K2435-R2457 WeakPolarHBondContact CE-O 3.3Å; K2435-R2457 PolarHBondContact NZ-O 3.11Å; K2435-R2457 VanDerWaalsContact NZ-O 3.1Å; K2435-F2459 HydrophobicContact CB-CE1 4.41Å; K2435-F2459 HydrophobicContact CB-CE2 4.37Å; K2435-F2459 HydrophobicContact CB-CZ 4.34Å; K2435-F2459 HydrophobicContact CD-CD2 4.19Å; K2435-F2459 HydrophobicContact CD-CE2 4.1Å; K2435-F2459 HydrophobicContact CG-CB 4.48Å; K2435-F2459 HydrophobicContact CG-CD1 4.11Å; K2435-F2459 HydrophobicContact CG-CD2 3.8Å; K2435-F2459 HydrophobicContact CG-CE1 4.18Å; K2435-F2459 HydrophobicContact CG-CE2 3.88Å; K2435-F2459 HydrophobicContact CG-CG 3.94Å; K2435-F2459 HydrophobicContact CG-CZ 4.09Å; K2435-S2461 PolarHBondContact O-OG 2.94Å |
| 2436 | G | 90.7 | Very high | 93.6 | Very high | 59 Ų | 59 | 28.2 Ų | 28.2 | 61% | 0.608 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -12.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115 | I2434 S2461 | I2434-G2436 PolarHBondContact O-N 2.89Å; I2434-G2436 VanDerWaalsContact O-N 3.1Å; G2436-S2461 WeakPolarHBondContact O-CB 3.23Å; G2436-S2461 PolarHBondContact O-OG 3.08Å |
| 2437 | T | 92.3 | Very high | 93.6 | Very high | 41 Ų | 41 | 28.9 Ų | 28.9 | 25% | 0.252 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | -32.4 | -173.5 | 62.1 | 0 | 0 | 0 | 0 | 113.8 | S2411 L2413 I2434 Q2439 S2461 | S2411-T2437 WeakPolarHBondContact O-CG2 3.35Å; L2413-T2437 CarbonylContact O-C 3.47Å; L2413-T2437 VanDerWaalsContact O-CB 3.32Å; L2413-T2437 WeakPolarHBondContact O-CB 3.35Å; L2413-T2437 PolarHBondContact O-OG1 3.05Å; I2434-T2437 PolarHBondContact O-N 3.11Å; I2434-T2437 PolarHBondContact O-OG1 2.92Å; T2437-Q2439 PolarHBondContact O-N 3.1Å; T2437-S2461 PolarHBondContact N-OG 3.32Å |
| 2438 | L | 93.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -65 | 131.9 | -174.9 | -161.9 | 75.9 | 0 | 0 | 0 | 111.2 | L2413 L2416 I2434 L2441 F2459 S2461 L2462 | L2413-L2438 HydrophobicContact CB-CD1 4.46Å; L2413-L2438 HydrophobicContact CD2-CD1 4.05Å; L2413-L2438 HydrophobicContact CG-CD1 3.99Å; L2413-L2438 VanDerWaalsContact O-CA 3.3Å; L2413-L2438 WeakPolarHBondContact O-CA 3.36Å; L2413-L2438 PolarHBondContact O-N 3.16Å; L2413-L2438 VanDerWaalsContact O-N 3.15Å; L2416-L2438 HydrophobicContact CB-CD1 3.79Å; L2416-L2438 HydrophobicContact CB-CD2 4.29Å; I2434-L2438 HydrophobicContact CD1-CD1 4.42Å; I2434-L2438 HydrophobicContact CD1-CD2 4.13Å; I2434-L2438 PolarHBondContact O-N 3.24Å; L2438-L2441 HydrophobicContact CD2-CB 3.91Å; L2438-L2441 HydrophobicContact CD2-CD1 4.18Å; L2438-L2441 HydrophobicContact CD2-CD2 4.49Å; L2438-L2441 HydrophobicContact CD2-CG 4.41Å; L2438-F2459 HydrophobicContact CB-CE1 3.97Å; L2438-F2459 HydrophobicContact CB-CZ 3.79Å; L2438-F2459 HydrophobicContact CD2-CE1 4.11Å; L2438-F2459 HydrophobicContact CD2-CZ 4.12Å; L2438-F2459 HydrophobicContact CG-CZ 4.36Å; L2438-S2461 CarbonylContact O-C 3.38Å; L2438-S2461 VanDerWaalsContact O-C 3.23Å; L2438-S2461 VanDerWaalsContact O-CB 3.3Å; L2438-S2461 WeakPolarHBondContact O-CB 3Å; L2438-S2461 PolarHBondContact O-OG 3.21Å; L2438-L2462 HydrophobicContact CB-CD1 4.46Å; L2438-L2462 HydrophobicContact CD2-CD1 4.19Å; L2438-L2462 HydrophobicContact CG-CD1 4.23Å; L2438-L2462 WeakPolarHBondContact O-CA 3.32Å; L2438-L2462 PolarHBondContact O-N 2.96Å | ||
| 2439 | Q | 91.7 | Very high | 93.8 | Very high | 63.6667 Ų | 63.6667 | 36.2 Ų | 36.2 | 30% | 0.298 | 20% | 0.196 | S | C | . | . | trans | -114.8 | -30.5 | -177.3 | -68.3 | 174.1 | 40.1 | 0 | 0 | 112.1 | I2414 T2437 S2461 L2463 A2464 | I2414-Q2439 HydrophobicContact CG2-CB 3.97Å; I2414-Q2439 HydrophobicContact CG2-CG 4.24Å; I2414-Q2439 WeakPolarHBondContact O-CA 3.35Å; I2414-Q2439 WeakPolarHBondContact O-CB 3.49Å; I2414-Q2439 PolarHBondContact O-N 3.03Å; T2437-Q2439 PolarHBondContact O-N 3.1Å; Q2439-S2461 WeakPolarHBondContact CG-O 3.23Å; Q2439-L2463 HydrophobicContact CB-CD1 3.99Å; Q2439-L2463 HydrophobicContact CB-CG 4Å; Q2439-L2463 HydrophobicContact CG-CD1 4.13Å; Q2439-L2463 HydrophobicContact CG-CG 4.21Å; Q2439-L2463 WeakPolarHBondContact O-CA 3.29Å; Q2439-L2463 WeakPolarHBondContact O-CB 3.28Å; Q2439-L2463 PolarHBondContact O-N 2.98Å; Q2439-A2464 PolarHBondContact O-N 2.96Å | ||
| 2440 | S | 91.4 | Very high | 93.9 | Very high | 15.3333 Ų | 15.3333 | 38.7 Ų | 38.7 | 11% | 0.107 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 130.1 | 174.5 | -176.2 | 0 | 0 | 0 | 0 | 110.6 | I2414 E2415 L2416 | I2414-S2440 PolarHBondContact O-N 3.19Å; E2415-S2440 WeakPolarHBondContact CA-O 3.35Å; L2416-S2440 PolarHBondContact N-O 3.09Å; L2416-S2440 VanDerWaalsContact N-O 3.11Å |
| 2441 | L | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 117.8 | 174.6 | 177.7 | 59.6 | 0 | 0 | 0 | 108.9 | L2416 F2431 L2438 L2443 L2456 L2462 A2464 L2465 H2466 | L2416-L2441 HydrophobicContact CB-CD1 4.29Å; L2416-L2441 HydrophobicContact CD2-CD1 4.12Å; L2416-L2441 HydrophobicContact CG-CD1 4.25Å; F2431-L2441 HydrophobicContact CD2-CD2 4.28Å; F2431-L2441 HydrophobicContact CE2-CD1 4.37Å; F2431-L2441 HydrophobicContact CE2-CD2 4Å; F2431-L2441 HydrophobicContact CZ-CD1 4.25Å; L2438-L2441 HydrophobicContact CD2-CB 3.91Å; L2438-L2441 HydrophobicContact CD2-CD1 4.18Å; L2438-L2441 HydrophobicContact CD2-CD2 4.49Å; L2438-L2441 HydrophobicContact CD2-CG 4.41Å; L2441-L2443 HydrophobicContact CD1-CD1 4.41Å; L2441-L2443 HydrophobicContact CD1-CG 4.23Å; L2441-L2443 HydrophobicContact CD2-CD1 3.96Å; L2441-L2443 HydrophobicContact CG-CD1 4.05Å; L2441-L2443 HydrophobicContact CG-CG 4.17Å; L2441-L2456 HydrophobicContact CD2-CD2 3.75Å; L2441-L2462 HydrophobicContact CB-CD1 3.95Å; L2441-L2462 HydrophobicContact CB-CD2 4.48Å; L2441-A2464 PolarHBondContact N-O 3.02Å; L2441-L2465 HydrophobicContact CB-CD1 4.46Å; L2441-L2465 HydrophobicContact CD2-CD1 4.27Å; L2441-L2465 HydrophobicContact CG-CD1 4.44Å; L2441-H2466 PolarHBondContact O-N 3.05Å |
| 2442 | I | 95.4 | Very high | 94 | Very high | 14.3333 Ų | 14.3333 | 39.3 Ų | 39.3 | 7% | 0.074 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 112.7 | -177.2 | -45.1 | 178.3 | 0 | 0 | 0 | 108.9 | N1846 L2416 N2417 L2418 A2419 D2444 H2466 | N1846-I2442 WeakPolarHBondContact ND2-CD1 3.5Å; L2416-I2442 PolarHBondContact O-N 3.15Å; L2416-I2442 VanDerWaalsContact O-N 3.08Å; N2417-I2442 HydrophobicContact CB-CB 4.44Å; N2417-I2442 HydrophobicContact CB-CD1 4.19Å; L2418-I2442 CarbonylContact C-O 3.41Å; L2418-I2442 WeakPolarHBondContact CA-O 3.41Å; L2418-I2442 PolarHBondContact N-O 2.91Å; A2419-I2442 HydrophobicContact CB-CG2 3.96Å; A2419-I2442 PolarHBondContact N-O 2.88Å; I2442-D2444 HydrophobicContact CG2-CB 4.25Å; I2442-D2444 WeakPolarHBondContact CG2-OD2 3.3Å; I2442-H2466 HydrophobicContact CB-CB 4.42Å; I2442-H2466 HydrophobicContact CG1-CB 4.48Å; I2442-H2466 HydrophobicContact CG2-CB 3.98Å |
| 2443 | L | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -121.5 | 25.4 | -179.4 | -73 | 167 | 0 | 0 | 0 | 111.4 | L2418 I2423 I2426 L2441 N2446 L2448 H2466 L2467 N2470 | L2418-L2443 HydrophobicContact CB-CD2 3.96Å; L2418-L2443 HydrophobicContact CD1-CD2 4.11Å; I2423-L2443 HydrophobicContact CD1-CD2 3.94Å; I2426-L2443 HydrophobicContact CD1-CD1 3.79Å; I2426-L2443 HydrophobicContact CD1-CD2 3.91Å; I2426-L2443 HydrophobicContact CD1-CG 4.46Å; L2441-L2443 HydrophobicContact CD1-CD1 4.41Å; L2441-L2443 HydrophobicContact CD1-CG 4.23Å; L2441-L2443 HydrophobicContact CD2-CD1 3.96Å; L2441-L2443 HydrophobicContact CG-CD1 4.05Å; L2441-L2443 HydrophobicContact CG-CG 4.17Å; L2443-N2446 PolarHBondContact O-ND2 3.11Å; L2443-N2446 VanDerWaalsContact O-ND2 3.1Å; L2443-L2448 HydrophobicContact CB-CD1 4.3Å; L2443-L2448 HydrophobicContact CD1-CD1 4.37Å; L2443-H2466 PolarHBondContact N-O 3.15Å; L2443-L2467 HydrophobicContact CB-CD2 3.9Å; L2443-L2467 HydrophobicContact CD1-CD2 4.14Å; L2443-N2470 PolarHBondContact O-ND2 3.04Å | ||
| 2444 | D | 94 | Very high | 94 | Very high | 9.66667 Ų | 9.66667 | 39.5 Ų | 39.5 | 5% | 0.052 | 21% | 0.206 | C | C | . | . | trans | -65.3 | 157.5 | -176.1 | -61.2 | -16.4 | 0 | 0 | 0 | 112.5 | A2419 C2420 I2442 N2446 H2466 L2467 Q2468 | A2419-D2444 CarbonylContact C-O 3.18Å; A2419-D2444 WeakPolarHBondContact CA-O 3.34Å; A2419-D2444 HydrophobicContact CB-CB 3.94Å; C2420-D2444 PolarHBondContact N-O 3.08Å; I2442-D2444 HydrophobicContact CG2-CB 4.25Å; I2442-D2444 WeakPolarHBondContact CG2-OD2 3.3Å; D2444-N2446 PolarHBondContact O-N 3.1Å; D2444-N2446 PolarHBondContact O-ND2 2.95Å; D2444-H2466 WeakPolarHBondContact OD1-CB 3.3Å; D2444-H2466 IonicContact OD2-ND1 3.61Å; D2444-L2467 PolarHBondContact OD1-N 2.91Å; D2444-L2467 VanDerWaalsContact OD1-N 3.16Å; D2444-Q2468 CarbonylContact C-O 3.53Å; D2444-Q2468 WeakPolarHBondContact CA-O 3.17Å; D2444-Q2468 HydrophobicContact CB-CG 3.85Å; D2444-Q2468 WeakPolarHBondContact OD1-CG 3.25Å; D2444-Q2468 PolarHBondContact OD1-N 2.81Å; D2444-Q2468 VanDerWaalsContact OD1-N 3.08Å; D2444-Q2468 VanDerWaalsContact OD2-CG 3.23Å; D2444-Q2468 WeakPolarHBondContact OD2-CG 3.41Å; D2444-Q2468 PolarHBondContact OD2-NE2 2.89Å | ||
| 2445 | H | 96 | Very high | 94 | Very high | 68.3333 Ų | 68.3333 | 39.5 Ų | 39.5 | 32% | 0.316 | 21% | 0.206 | S | C | . | . | S | Bend | trans | 52.4 | 54.9 | 175.1 | -64 | 73 | 0 | 0 | 0 | 112.2 | C2420 N2421 Q2468 H2469 G2710 | C2420-H2445 VanDerWaalsContact CA-O 3.26Å; C2420-H2445 WeakPolarHBondContact CA-O 3.29Å; C2420-H2445 HydrophobicContact CB-CB 4.33Å; C2420-H2445 PolarHBondContact N-O 3.12Å; N2421-H2445 PolarHBondContact N-O 2.87Å; H2445-Q2468 PolarHBondContact N-O 3.12Å; H2445-H2469 VanDerWaalsContact CA-O 3.27Å; H2445-H2469 WeakPolarHBondContact CA-O 3.35Å; H2445-H2469 HydrophobicContact CB-CB 4.44Å; H2445-H2469 AromaticContact CD2-CG 3.92Å; H2445-H2469 AromaticContact CE1-CD2 3.2Å; H2445-H2469 PolarHBondContact CE1-CD2 3.23Å; H2445-H2469 AromaticContact CE1-CG 3.52Å; H2445-H2469 VanDerWaalsContact CE1-CG 3.5Å; H2445-H2469 AromaticContact CE1-NE2 3.77Å; H2445-H2469 PolarHBondContact N-O 3Å; H2445-H2469 AromaticContact ND1-CD2 3.77Å; H2445-H2469 AromaticContact ND1-CG 3.93Å; H2445-H2469 AromaticContact NE2-CD2 3.7Å; H2445-H2469 AromaticContact NE2-CG 3.63Å; H2445-H2469 AromaticContact NE2-ND1 3.87Å; H2445-H2469 AromaticContact NE2-NE2 3.9Å; H2445-G2710 WeakPolarHBondContact NE2-CA 3.4Å |
| 2446 | N | 96.5 | Very high | 94.1 | Very high | 10.6667 Ų | 10.6667 | 38.4 Ų | 38.4 | 6% | 0.057 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -133.2 | -175.5 | -179.6 | -88.2 | -84.9 | 0 | 0 | 0 | 109.7 | L2418 N2421 Q2422 I2423 L2443 D2444 H2469 N2470 | L2418-N2446 PolarHBondContact O-ND2 2.95Å; N2421-N2446 WeakPolarHBondContact CA-OD1 3.47Å; N2421-N2446 WeakPolarHBondContact CB-OD1 3.36Å; N2421-N2446 PolarHBondContact O-OD1 3.13Å; N2421-N2446 VanDerWaalsContact O-OD1 3.1Å; Q2422-N2446 PolarHBondContact N-OD1 3.45Å; I2423-N2446 HydrophobicContact CB-CB 4.43Å; I2423-N2446 VanDerWaalsContact CB-OD1 3.24Å; I2423-N2446 WeakPolarHBondContact CB-OD1 3.4Å; I2423-N2446 VanDerWaalsContact CG1-OD1 3.31Å; I2423-N2446 WeakPolarHBondContact CG1-OD1 3.41Å; I2423-N2446 PolarHBondContact N-OD1 3.06Å; L2443-N2446 PolarHBondContact O-ND2 3.11Å; L2443-N2446 VanDerWaalsContact O-ND2 3.1Å; D2444-N2446 PolarHBondContact O-N 3.1Å; D2444-N2446 PolarHBondContact O-ND2 2.95Å; N2446-H2469 PolarHBondContact N-O 3.04Å; N2446-N2470 WeakPolarHBondContact CA-OD1 3.44Å; N2446-N2470 VanDerWaalsContact CB-OD1 3.24Å; N2446-N2470 WeakPolarHBondContact CB-OD1 3.3Å; N2446-N2470 PolarHBondContact O-OD1 3.12Å; N2446-N2470 VanDerWaalsContact O-OD1 3.13Å |
| 2447 | C | 96.5 | Very high | 94.1 | Very high | 33.6667 Ų | 33.6667 | 41 Ų | 41 | 23% | 0.227 | 19% | 0.193 | C | C | . | . | trans | -108.9 | 23.3 | -175 | 48.7 | 0 | 0 | 0 | 0 | 114.3 | Q2422 I2423 C2424 R2449 N2470 | Q2422-C2447 VanDerWaalsContact C-SG 3.54Å; Q2422-C2447 PolarHBondContact O-SG 3.2Å; I2423-C2447 PolarHBondContact O-N 3.09Å; I2423-C2447 VanDerWaalsContact O-N 3.09Å; I2423-C2447 PolarHBondContact O-SG 3.07Å; I2423-C2447 VanDerWaalsContact O-SG 3.37Å; C2424-C2447 WeakPolarHBondContact CA-SG 3.34Å; C2424-C2447 HydrophobicContact CB-CB 3.94Å; C2424-C2447 WeakPolarHBondContact CB-SG 3.39Å; C2424-C2447 PolarHBondContact N-SG 3.25Å; C2424-C2447 WeakPolarHBondContact SG-CB 3.47Å; C2424-C2447 CovalentContact SG-SG 2.04Å; C2424-C2447 PolarHBondContact SG-SG 3.13Å; C2447-R2449 PolarHBondContact O-N 2.96Å; C2447-N2470 PolarHBondContact N-OD1 2.91Å | ||
| 2448 | L | 96.8 | Very high | 93.9 | Very high | 2.66667 Ų | 2.66667 | 42.4 Ų | 42.4 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | trans | -63 | 127 | 177.5 | -58.3 | 171.3 | 0 | 0 | 0 | 110.4 | I2423 I2426 L2443 L2467 N2470 N2471 I2472 | I2423-L2448 HydrophobicContact CG2-CD2 4.34Å; I2423-L2448 PolarHBondContact O-N 2.95Å; I2426-L2448 HydrophobicContact CD1-CD2 4.49Å; I2426-L2448 HydrophobicContact CG1-CD2 4.41Å; L2443-L2448 HydrophobicContact CB-CD1 4.3Å; L2443-L2448 HydrophobicContact CD1-CD1 4.37Å; L2448-L2467 HydrophobicContact CD1-CD2 3.55Å; L2448-L2467 VanDerWaalsContact CD1-CD2 3.49Å; L2448-N2470 HydrophobicContact CB-CB 4.32Å; L2448-N2470 VanDerWaalsContact CB-OD1 3.28Å; L2448-N2470 WeakPolarHBondContact CB-OD1 3.34Å; L2448-N2470 WeakPolarHBondContact CG-OD1 3.32Å; L2448-N2470 PolarHBondContact N-OD1 2.84Å; L2448-N2470 VanDerWaalsContact N-OD1 3.11Å; L2448-N2471 CarbonylContact O-C 3.35Å; L2448-N2471 VanDerWaalsContact O-C 3.26Å; L2448-N2471 VanDerWaalsContact O-CA 3.26Å; L2448-N2471 WeakPolarHBondContact O-CA 3.27Å; L2448-N2471 WeakPolarHBondContact O-CB 3.18Å; L2448-N2471 PolarHBondContact O-N 3.08Å; L2448-I2472 PolarHBondContact O-N 3.09Å | ||
| 2449 | R | 95.1 | Very high | 93.9 | Very high | 192 Ų | 192 | 42.4 Ų | 42.4 | 73% | 0.725 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -96.2 | -12.3 | 175.8 | -62.3 | -173 | -175.4 | -172.6 | 0.1 | 113.9 | C2447 N2471 I2472 E2473 | C2447-R2449 PolarHBondContact O-N 2.96Å; R2449-N2471 WeakPolarHBondContact CA-O 3.42Å; R2449-N2471 HydrophobicContact CG-CB 4.28Å; R2449-I2472 WeakPolarHBondContact O-CA 3.28Å; R2449-E2473 PolarHBondContact O-N 3.08Å |
| 2450 | E | 94.3 | Very high | 93.8 | Very high | 109 Ų | 109 | 45.3 Ų | 45.3 | 51% | 0.509 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -147.2 | 158.3 | -177.2 | 64.5 | -168.4 | 162.8 | 0 | 0 | 108.2 | ||
| 2451 | V | 95.3 | Very high | 93.8 | Very high | 1.66667 Ų | 1.66667 | 46.2 Ų | 46.2 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | trans | -68.8 | 128.1 | 169.9 | 178 | 0 | 0 | 0 | 0 | 108.3 | A2453 L2456 L2467 I2472 Q2479 L2480 | V2451-A2453 PolarHBondContact O-N 3.16Å; V2451-L2456 HydrophobicContact CG1-CD1 3.75Å; V2451-L2467 HydrophobicContact CG1-CD1 4.39Å; V2451-L2467 HydrophobicContact CG2-CD1 4.35Å; V2451-I2472 HydrophobicContact CG2-CD1 4.19Å; V2451-I2472 HydrophobicContact CG2-CG2 4.37Å; V2451-Q2479 HydrophobicContact CB-CB 4.3Å; V2451-Q2479 HydrophobicContact CG1-CB 4.44Å; V2451-L2480 HydrophobicContact CG1-CD2 3.69Å; V2451-L2480 HydrophobicContact CG1-CG 3.99Å | ||
| 2452 | P | 94.2 | Very high | 93.7 | Very high | 13 Ų | 13 | 46.2 Ų | 46.2 | 8% | 0.084 | 22% | 0.217 | C | C | . | . | trans | -73.8 | 72.5 | -177.5 | 28.7 | -34 | 0 | 0 | 0 | 111.8 | I2426 E2454 A2455 L2456 | I2426-P2452 HydrophobicContact CB-CB 4.06Å; I2426-P2452 HydrophobicContact CD1-CG 4.23Å; P2452-E2454 PolarHBondContact O-N 3.12Å; P2452-A2455 HydrophobicContact CB-CB 4.5Å; P2452-A2455 PolarHBondContact O-N 2.96Å; P2452-A2455 VanDerWaalsContact O-N 3.17Å; P2452-L2456 HydrophobicContact CG-CD1 3.87Å; P2452-L2456 HydrophobicContact CG-CG 4.24Å; P2452-L2456 WeakPolarHBondContact O-CG 3.4Å; P2452-L2456 PolarHBondContact O-N 3.17Å; P2452-L2456 VanDerWaalsContact O-N 3.1Å | ||
| 2453 | A | 92.3 | Very high | 93.4 | Very high | 25 Ų | 25 | 48 Ų | 48 | 21% | 0.207 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.2 | -42.8 | -166.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | V2451 A2455 L2456 R2457 Q2479 | V2451-A2453 PolarHBondContact O-N 3.16Å; A2453-A2455 VanDerWaalsContact C-N 3.3Å; A2453-A2455 PolarHBondContact O-N 2.91Å; A2453-L2456 PolarHBondContact O-N 3.04Å; A2453-R2457 VanDerWaalsContact O-CB 3.29Å; A2453-R2457 WeakPolarHBondContact O-CB 3.27Å; A2453-R2457 WeakPolarHBondContact O-CD 3.35Å; A2453-R2457 WeakPolarHBondContact O-CG 3.31Å; A2453-R2457 PolarHBondContact O-N 3.26Å; A2453-Q2479 WeakPolarHBondContact CA-O 3.5Å; A2453-Q2479 HydrophobicContact CB-CB 4.12Å; A2453-Q2479 HydrophobicContact CB-CG 4.15Å; A2453-Q2479 VanDerWaalsContact CB-O 3.27Å; A2453-Q2479 WeakPolarHBondContact CB-O 3.41Å |
| 2454 | E | 91.1 | Very high | 92.9 | Very high | 146 Ų | 146 | 48.6 Ų | 48.6 | 68% | 0.682 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -60.9 | -39.5 | -179.5 | -61.2 | -164.3 | 148.4 | 0 | 0 | 112.4 | P2452 | P2452-E2454 PolarHBondContact O-N 3.12Å |
| 2455 | A | 93.4 | Very high | 93 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.6 | -45.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | I2426 F2431 K2435 P2452 A2453 F2459 | I2426-A2455 HydrophobicContact CG2-CB 3.92Å; F2431-A2455 HydrophobicContact CD2-CB 4.36Å; K2435-A2455 WeakPolarHBondContact CE-O 3.39Å; K2435-A2455 PolarHBondContact NZ-O 3.19Å; P2452-A2455 HydrophobicContact CB-CB 4.5Å; P2452-A2455 PolarHBondContact O-N 2.96Å; P2452-A2455 VanDerWaalsContact O-N 3.17Å; A2453-A2455 VanDerWaalsContact C-N 3.3Å; A2453-A2455 PolarHBondContact O-N 2.91Å; A2455-F2459 WeakPolarHBondContact O-CD2 3.21Å; A2455-F2459 VanDerWaalsContact O-CE2 3.27Å; A2455-F2459 WeakPolarHBondContact O-CE2 3.3Å |
| 2456 | L | 93.5 | Very high | 92.9 | Very high | 0.333333 Ų | 0.333333 | 45.6 Ų | 45.6 | 0% | 0.002 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -80.2 | -17.6 | -173 | -62.7 | 176.3 | 0 | 0 | 0 | 114.7 | L2441 V2451 P2452 A2453 N2458 F2459 L2465 L2480 M2483 | L2441-L2456 HydrophobicContact CD2-CD2 3.75Å; V2451-L2456 HydrophobicContact CG1-CD1 3.75Å; P2452-L2456 HydrophobicContact CG-CD1 3.87Å; P2452-L2456 HydrophobicContact CG-CG 4.24Å; P2452-L2456 WeakPolarHBondContact O-CG 3.4Å; P2452-L2456 PolarHBondContact O-N 3.17Å; P2452-L2456 VanDerWaalsContact O-N 3.1Å; A2453-L2456 PolarHBondContact O-N 3.04Å; L2456-N2458 PolarHBondContact O-N 3.14Å; L2456-F2459 HydrophobicContact CD2-CD2 4.34Å; L2456-F2459 HydrophobicContact CD2-CE2 4.42Å; L2456-F2459 VanDerWaalsContact O-CB 3.3Å; L2456-F2459 WeakPolarHBondContact O-CB 3.42Å; L2456-F2459 WeakPolarHBondContact O-CD2 3.38Å; L2456-F2459 PolarHBondContact O-N 3.01Å; L2456-F2459 VanDerWaalsContact O-N 3.13Å; L2456-L2465 HydrophobicContact CD1-CD1 4.24Å; L2456-L2465 HydrophobicContact CD1-CD2 3.94Å; L2456-L2465 HydrophobicContact CD2-CD1 4.14Å; L2456-L2480 HydrophobicContact CB-CD2 4.46Å; L2456-L2480 HydrophobicContact CD1-CD2 4.15Å; L2456-M2483 HydrophobicContact CB-CE 4.35Å; L2456-M2483 HydrophobicContact CB-SD 4.38Å |
| 2457 | R | 90.1 | Very high | 92.9 | Very high | 113.333 Ų | 113.333 | 45.1 Ų | 45.1 | 43% | 0.428 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 129.7 | 179.5 | -143.4 | 174.4 | -171.2 | -173.3 | 5.1 | 112.1 | K2435 A2453 F2459 L2478 M2481 | K2435-R2457 VanDerWaalsContact CE-O 3.26Å; K2435-R2457 WeakPolarHBondContact CE-O 3.3Å; K2435-R2457 PolarHBondContact NZ-O 3.11Å; K2435-R2457 VanDerWaalsContact NZ-O 3.1Å; A2453-R2457 VanDerWaalsContact O-CB 3.29Å; A2453-R2457 WeakPolarHBondContact O-CB 3.27Å; A2453-R2457 WeakPolarHBondContact O-CD 3.35Å; A2453-R2457 WeakPolarHBondContact O-CG 3.31Å; A2453-R2457 PolarHBondContact O-N 3.26Å; R2457-F2459 VanDerWaalsContact C-N 3.3Å; R2457-F2459 PolarHBondContact O-N 2.77Å; R2457-L2478 PolarHBondContact NE-O 2.68Å; R2457-L2478 PolarHBondContact NH2-O 2.78Å; R2457-M2481 HydrophobicContact CG-CB 4.24Å; R2457-M2481 HydrophobicContact CG-CG 4.48Å; R2457-M2481 PolarHBondContact NE-SD 3.34Å; R2457-M2481 PolarHBondContact NH2-SD 3.05Å |
| 2458 | N | 89.2 | Confident | 92.8 | Very high | 70.3333 Ų | 70.3333 | 44.7 Ų | 44.7 | 38% | 0.376 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 25.3 | -178.5 | -47.5 | -66.4 | 0 | 0 | 0 | 115.6 | L2456 K2460 M2481 N2482 | L2456-N2458 PolarHBondContact O-N 3.14Å; N2458-K2460 VanDerWaalsContact C-N 3.33Å; N2458-K2460 WeakPolarHBondContact O-CG 3.2Å; N2458-K2460 PolarHBondContact O-N 3.32Å; N2458-M2481 PolarHBondContact N-O 3.06Å; N2458-M2481 VanDerWaalsContact N-O 3.15Å; N2458-N2482 WeakPolarHBondContact CA-O 3.39Å; N2458-N2482 HydrophobicContact CB-CB 4.5Å; N2458-N2482 VanDerWaalsContact OD1-CB 3.29Å; N2458-N2482 WeakPolarHBondContact OD1-CB 3.28Å; N2458-N2482 PolarHBondContact OD1-ND2 3.24Å |
| 2459 | F | 92.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -68.9 | 80 | 170.4 | -116 | -77.6 | 0 | 0 | 0 | 111.1 | F2431 K2435 L2438 A2455 L2456 R2457 S2461 L2462 M2483 | F2431-F2459 HydrophobicContact CB-CE2 4.16Å; F2431-F2459 HydrophobicContact CB-CZ 3.74Å; F2431-F2459 HydrophobicContact CD2-CZ 4.43Å; F2431-F2459 HydrophobicContact CG-CZ 4.38Å; K2435-F2459 HydrophobicContact CB-CE1 4.41Å; K2435-F2459 HydrophobicContact CB-CE2 4.37Å; K2435-F2459 HydrophobicContact CB-CZ 4.34Å; K2435-F2459 HydrophobicContact CD-CD2 4.19Å; K2435-F2459 HydrophobicContact CD-CE2 4.1Å; K2435-F2459 HydrophobicContact CG-CB 4.48Å; K2435-F2459 HydrophobicContact CG-CD1 4.11Å; K2435-F2459 HydrophobicContact CG-CD2 3.8Å; K2435-F2459 HydrophobicContact CG-CE1 4.18Å; K2435-F2459 HydrophobicContact CG-CE2 3.88Å; K2435-F2459 HydrophobicContact CG-CG 3.94Å; K2435-F2459 HydrophobicContact CG-CZ 4.09Å; L2438-F2459 HydrophobicContact CB-CE1 3.97Å; L2438-F2459 HydrophobicContact CB-CZ 3.79Å; L2438-F2459 HydrophobicContact CD2-CE1 4.11Å; L2438-F2459 HydrophobicContact CD2-CZ 4.12Å; L2438-F2459 HydrophobicContact CG-CZ 4.36Å; A2455-F2459 WeakPolarHBondContact O-CD2 3.21Å; A2455-F2459 VanDerWaalsContact O-CE2 3.27Å; A2455-F2459 WeakPolarHBondContact O-CE2 3.3Å; L2456-F2459 HydrophobicContact CD2-CD2 4.34Å; L2456-F2459 HydrophobicContact CD2-CE2 4.42Å; L2456-F2459 VanDerWaalsContact O-CB 3.3Å; L2456-F2459 WeakPolarHBondContact O-CB 3.42Å; L2456-F2459 WeakPolarHBondContact O-CD2 3.38Å; L2456-F2459 PolarHBondContact O-N 3.01Å; L2456-F2459 VanDerWaalsContact O-N 3.13Å; R2457-F2459 VanDerWaalsContact C-N 3.3Å; R2457-F2459 PolarHBondContact O-N 2.77Å; F2459-S2461 VanDerWaalsContact C-N 3.31Å; F2459-S2461 PolarHBondContact O-N 3.17Å; F2459-L2462 HydrophobicContact CB-CB 4.08Å; F2459-L2462 HydrophobicContact CD1-CB 3.96Å; F2459-L2462 HydrophobicContact CD1-CD1 4.19Å; F2459-L2462 HydrophobicContact CD1-CD2 4.48Å; F2459-L2462 HydrophobicContact CD1-CG 4.47Å; F2459-L2462 HydrophobicContact CE1-CB 4.39Å; F2459-L2462 HydrophobicContact CE1-CD1 4.35Å; F2459-L2462 HydrophobicContact CG-CB 4.24Å; F2459-L2462 HydrophobicContact CZ-CD1 4.42Å; F2459-L2462 WeakPolarHBondContact O-CB 3.46Å; F2459-L2462 PolarHBondContact O-N 3.01Å; F2459-L2462 VanDerWaalsContact O-N 3.11Å; F2459-M2483 HydrophobicContact CB-CE 4.08Å; F2459-M2483 HydrophobicContact CB-CG 4.36Å; F2459-M2483 WeakPolarHBondContact O-CA 3.43Å | ||
| 2460 | K | 90.4 | Very high | 92.8 | Very high | 126 Ų | 126 | 38.6 Ų | 38.6 | 55% | 0.548 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -21.6 | -171.1 | -70.2 | 177.9 | -175.8 | 176.2 | 0 | 114.6 | N2458 V2484 S2485 | N2458-K2460 VanDerWaalsContact C-N 3.33Å; N2458-K2460 WeakPolarHBondContact O-CG 3.2Å; N2458-K2460 PolarHBondContact O-N 3.32Å; K2460-V2484 HydrophobicContact CB-CG2 4.31Å; K2460-V2484 HydrophobicContact CG-CG2 4.32Å; K2460-S2485 VanDerWaalsContact O-CB 3.27Å; K2460-S2485 WeakPolarHBondContact O-CB 3.35Å; K2460-S2485 PolarHBondContact O-OG 3.06Å |
| 2461 | S | 91.2 | Very high | 92.9 | Very high | 33 Ų | 33 | 36 Ų | 36 | 23% | 0.231 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -11.2 | -179.5 | -27.6 | 0 | 0 | 0 | 0 | 113.6 | K2435 G2436 T2437 L2438 Q2439 F2459 L2463 | K2435-S2461 PolarHBondContact O-OG 2.94Å; G2436-S2461 WeakPolarHBondContact O-CB 3.23Å; G2436-S2461 PolarHBondContact O-OG 3.08Å; T2437-S2461 PolarHBondContact N-OG 3.32Å; L2438-S2461 CarbonylContact O-C 3.38Å; L2438-S2461 VanDerWaalsContact O-C 3.23Å; L2438-S2461 VanDerWaalsContact O-CB 3.3Å; L2438-S2461 WeakPolarHBondContact O-CB 3Å; L2438-S2461 PolarHBondContact O-OG 3.21Å; Q2439-S2461 WeakPolarHBondContact CG-O 3.23Å; F2459-S2461 VanDerWaalsContact C-N 3.31Å; F2459-S2461 PolarHBondContact O-N 3.17Å; S2461-L2463 PolarHBondContact O-N 2.98Å |
| 2462 | L | 92.9 | Very high | 93 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -70.7 | 131.4 | -175.5 | -155.2 | 75.5 | 0 | 0 | 0 | 110.6 | L2438 L2441 F2459 A2464 L2465 M2483 S2485 L2486 | L2438-L2462 HydrophobicContact CB-CD1 4.46Å; L2438-L2462 HydrophobicContact CD2-CD1 4.19Å; L2438-L2462 HydrophobicContact CG-CD1 4.23Å; L2438-L2462 WeakPolarHBondContact O-CA 3.32Å; L2438-L2462 PolarHBondContact O-N 2.96Å; L2441-L2462 HydrophobicContact CB-CD1 3.95Å; L2441-L2462 HydrophobicContact CB-CD2 4.48Å; F2459-L2462 HydrophobicContact CB-CB 4.08Å; F2459-L2462 HydrophobicContact CD1-CB 3.96Å; F2459-L2462 HydrophobicContact CD1-CD1 4.19Å; F2459-L2462 HydrophobicContact CD1-CD2 4.48Å; F2459-L2462 HydrophobicContact CD1-CG 4.47Å; F2459-L2462 HydrophobicContact CE1-CB 4.39Å; F2459-L2462 HydrophobicContact CE1-CD1 4.35Å; F2459-L2462 HydrophobicContact CG-CB 4.24Å; F2459-L2462 HydrophobicContact CZ-CD1 4.42Å; F2459-L2462 WeakPolarHBondContact O-CB 3.46Å; F2459-L2462 PolarHBondContact O-N 3.01Å; F2459-L2462 VanDerWaalsContact O-N 3.11Å; L2462-A2464 WeakPolarHBondContact CG-O 3.44Å; L2462-L2465 HydrophobicContact CD2-CB 4Å; L2462-L2465 HydrophobicContact CD2-CD1 4.33Å; L2462-M2483 HydrophobicContact CB-CE 4.4Å; L2462-M2483 HydrophobicContact CD2-CE 3.54Å; L2462-S2485 CarbonylContact O-C 3.3Å; L2462-L2486 HydrophobicContact CB-CD1 4.42Å; L2462-L2486 HydrophobicContact CD2-CD1 4.1Å; L2462-L2486 HydrophobicContact CG-CD1 4.25Å; L2462-L2486 VanDerWaalsContact O-CA 3.23Å; L2462-L2486 WeakPolarHBondContact O-CA 3.21Å; L2462-L2486 PolarHBondContact O-N 2.98Å; L2462-L2486 VanDerWaalsContact O-N 3.09Å | ||
| 2463 | L | 89.2 | Confident | 93 | Very high | 52 Ų | 52 | 39.2 Ų | 39.2 | 27% | 0.272 | 19% | 0.192 | S | C | . | . | trans | -107.4 | -35.9 | 179.6 | -55 | -179.5 | 0 | 0 | 0 | 111.4 | S2081 Q2439 S2461 S2485 L2487 M2488 | S2081-L2463 VanDerWaalsContact CB-CD1 3.41Å; Q2439-L2463 HydrophobicContact CB-CD1 3.99Å; Q2439-L2463 HydrophobicContact CB-CG 4Å; Q2439-L2463 HydrophobicContact CG-CD1 4.13Å; Q2439-L2463 HydrophobicContact CG-CG 4.21Å; Q2439-L2463 WeakPolarHBondContact O-CA 3.29Å; Q2439-L2463 WeakPolarHBondContact O-CB 3.28Å; Q2439-L2463 PolarHBondContact O-N 2.98Å; S2461-L2463 PolarHBondContact O-N 2.98Å; L2463-S2485 WeakPolarHBondContact CD2-O 3.4Å; L2463-L2487 HydrophobicContact CD2-CD1 4.45Å; L2463-L2487 WeakPolarHBondContact O-CA 3.32Å; L2463-L2487 PolarHBondContact O-N 3.11Å; L2463-M2488 PolarHBondContact O-N 3.08Å | ||
| 2464 | A | 87.6 | Confident | 93.1 | Very high | 12.3333 Ų | 12.3333 | 40.1 Ų | 40.1 | 10% | 0.102 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 135.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q2439 L2441 L2462 M2488 | Q2439-A2464 PolarHBondContact O-N 2.96Å; L2441-A2464 PolarHBondContact N-O 3.02Å; L2462-A2464 WeakPolarHBondContact CG-O 3.44Å; A2464-M2488 WeakPolarHBondContact CA-O 3.09Å; A2464-M2488 HydrophobicContact CB-CB 4.27Å; A2464-M2488 HydrophobicContact CB-CG 4.16Å; A2464-M2488 HydrophobicContact CB-SD 3.57Å; A2464-M2488 VanDerWaalsContact CB-SD 3.57Å |
| 2465 | L | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 121.3 | 173.3 | 175.5 | 64.1 | 0 | 0 | 0 | 109.1 | L2441 L2456 L2462 L2467 L2480 M2483 L2486 M2488 V2489 R2490 | L2441-L2465 HydrophobicContact CB-CD1 4.46Å; L2441-L2465 HydrophobicContact CD2-CD1 4.27Å; L2441-L2465 HydrophobicContact CG-CD1 4.44Å; L2456-L2465 HydrophobicContact CD1-CD1 4.24Å; L2456-L2465 HydrophobicContact CD1-CD2 3.94Å; L2456-L2465 HydrophobicContact CD2-CD1 4.14Å; L2462-L2465 HydrophobicContact CD2-CB 4Å; L2462-L2465 HydrophobicContact CD2-CD1 4.33Å; L2465-L2467 HydrophobicContact CD1-CD1 4.32Å; L2465-L2467 HydrophobicContact CD1-CG 4.24Å; L2465-L2467 HydrophobicContact CD2-CD1 3.86Å; L2465-L2467 HydrophobicContact CG-CD1 4.01Å; L2465-L2467 HydrophobicContact CG-CG 4.19Å; L2465-L2480 HydrophobicContact CD2-CD2 3.77Å; L2465-M2483 HydrophobicContact CD2-CE 4.36Å; L2465-L2486 HydrophobicContact CB-CD1 4.09Å; L2465-M2488 PolarHBondContact N-O 2.99Å; L2465-M2488 VanDerWaalsContact N-O 3.08Å; L2465-V2489 WeakPolarHBondContact O-CA 3.44Å; L2465-R2490 PolarHBondContact O-N 3.25Å |
| 2466 | H | 94.8 | Very high | 93.1 | Very high | 15 Ų | 15 | 38.6 Ų | 38.6 | 7% | 0.069 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 123.8 | 179.2 | -46.6 | -149.1 | 0 | 0 | 0 | 109.4 | N1846 S2084 L2441 I2442 L2443 D2444 R2490 | N1846-H2466 PolarHBondContact OD1-CE1 3.48Å; S2084-H2466 PolarHBondContact O-CE1 3.43Å; S2084-H2466 VanDerWaalsContact O-CE1 3.29Å; S2084-H2466 PolarHBondContact OG-CE1 3.17Å; S2084-H2466 PolarHBondContact OG-NE2 2.71Å; L2441-H2466 PolarHBondContact O-N 3.05Å; I2442-H2466 HydrophobicContact CB-CB 4.42Å; I2442-H2466 HydrophobicContact CG1-CB 4.48Å; I2442-H2466 HydrophobicContact CG2-CB 3.98Å; L2443-H2466 PolarHBondContact N-O 3.15Å; D2444-H2466 WeakPolarHBondContact OD1-CB 3.3Å; D2444-H2466 IonicContact OD2-ND1 3.61Å; H2466-R2490 PolarHBondContact CE1-NH1 2.66Å; H2466-R2490 VanDerWaalsContact CE1-NH1 3.31Å; H2466-R2490 PolarHBondContact CE1-NH2 3.15Å; H2466-R2490 PolarHBondContact ND1-NH2 2.85Å |
| 2467 | L | 96.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -135.6 | 21.5 | -178.5 | -71.7 | 167.6 | 0 | 0 | 0 | 111 | L2443 D2444 L2448 V2451 L2465 N2470 I2472 R2490 L2491 N2494 | L2443-L2467 HydrophobicContact CB-CD2 3.9Å; L2443-L2467 HydrophobicContact CD1-CD2 4.14Å; D2444-L2467 PolarHBondContact OD1-N 2.91Å; D2444-L2467 VanDerWaalsContact OD1-N 3.16Å; L2448-L2467 HydrophobicContact CD1-CD2 3.55Å; L2448-L2467 VanDerWaalsContact CD1-CD2 3.49Å; V2451-L2467 HydrophobicContact CG1-CD1 4.39Å; V2451-L2467 HydrophobicContact CG2-CD1 4.35Å; L2465-L2467 HydrophobicContact CD1-CD1 4.32Å; L2465-L2467 HydrophobicContact CD1-CG 4.24Å; L2465-L2467 HydrophobicContact CD2-CD1 3.86Å; L2465-L2467 HydrophobicContact CG-CD1 4.01Å; L2465-L2467 HydrophobicContact CG-CG 4.19Å; L2467-N2470 PolarHBondContact O-ND2 3.29Å; L2467-N2470 VanDerWaalsContact O-ND2 3.15Å; L2467-I2472 HydrophobicContact CB-CD1 4.11Å; L2467-I2472 HydrophobicContact CD1-CD1 4.27Å; L2467-R2490 CarbonylContact C-O 3.37Å; L2467-R2490 WeakPolarHBondContact CA-O 3.42Å; L2467-R2490 PolarHBondContact N-O 3.27Å; L2467-L2491 HydrophobicContact CB-CD2 3.81Å; L2467-L2491 HydrophobicContact CD1-CD2 3.98Å; L2467-N2494 PolarHBondContact O-ND2 2.88Å | ||
| 2468 | Q | 93.7 | Very high | 92.7 | Very high | 27 Ų | 27 | 42.4 Ų | 42.4 | 13% | 0.126 | 21% | 0.21 | C | C | . | . | trans | -71.5 | 153.9 | -176 | 50.2 | 171 | 24.8 | 0 | 0 | 111.7 | D2444 H2445 N2470 R2490 S2492 | D2444-Q2468 CarbonylContact C-O 3.53Å; D2444-Q2468 WeakPolarHBondContact CA-O 3.17Å; D2444-Q2468 HydrophobicContact CB-CG 3.85Å; D2444-Q2468 WeakPolarHBondContact OD1-CG 3.25Å; D2444-Q2468 PolarHBondContact OD1-N 2.81Å; D2444-Q2468 VanDerWaalsContact OD1-N 3.08Å; D2444-Q2468 VanDerWaalsContact OD2-CG 3.23Å; D2444-Q2468 WeakPolarHBondContact OD2-CG 3.41Å; D2444-Q2468 PolarHBondContact OD2-NE2 2.89Å; H2445-Q2468 PolarHBondContact N-O 3.12Å; Q2468-N2470 VanDerWaalsContact C-N 3.33Å; Q2468-N2470 PolarHBondContact O-N 3.22Å; Q2468-N2470 PolarHBondContact O-ND2 3.41Å; Q2468-R2490 HydrophobicContact CG-CB 4.48Å; Q2468-R2490 VanDerWaalsContact NE2-NH1 3.13Å; Q2468-S2492 CarbonylContact C-O 3.4Å; Q2468-S2492 WeakPolarHBondContact CA-O 3.31Å; Q2468-S2492 VanDerWaalsContact CB-O 3.29Å; Q2468-S2492 WeakPolarHBondContact CB-O 3.41Å | ||
| 2469 | H | 95.8 | Very high | 92.6 | Very high | 56.6667 Ų | 56.6667 | 39.6 Ų | 39.6 | 26% | 0.262 | 20% | 0.195 | S | C | . | . | S | Bend | trans | 53.9 | 49.3 | -174.5 | -55.8 | -94.6 | 0 | 0 | 0 | 113 | H2445 N2446 S2492 H2493 | H2445-H2469 VanDerWaalsContact CA-O 3.27Å; H2445-H2469 WeakPolarHBondContact CA-O 3.35Å; H2445-H2469 HydrophobicContact CB-CB 4.44Å; H2445-H2469 AromaticContact CD2-CG 3.92Å; H2445-H2469 AromaticContact CE1-CD2 3.2Å; H2445-H2469 PolarHBondContact CE1-CD2 3.23Å; H2445-H2469 AromaticContact CE1-CG 3.52Å; H2445-H2469 VanDerWaalsContact CE1-CG 3.5Å; H2445-H2469 AromaticContact CE1-NE2 3.77Å; H2445-H2469 PolarHBondContact N-O 3Å; H2445-H2469 AromaticContact ND1-CD2 3.77Å; H2445-H2469 AromaticContact ND1-CG 3.93Å; H2445-H2469 AromaticContact NE2-CD2 3.7Å; H2445-H2469 AromaticContact NE2-CG 3.63Å; H2445-H2469 AromaticContact NE2-ND1 3.87Å; H2445-H2469 AromaticContact NE2-NE2 3.9Å; N2446-H2469 PolarHBondContact N-O 3.04Å; H2469-S2492 PolarHBondContact N-O 3.01Å; H2469-H2493 VanDerWaalsContact CA-O 3.31Å; H2469-H2493 WeakPolarHBondContact CA-O 3.4Å; H2469-H2493 AromaticContact CE1-CD2 3.22Å; H2469-H2493 PolarHBondContact CE1-CD2 3.11Å; H2469-H2493 AromaticContact CE1-CG 3.37Å; H2469-H2493 VanDerWaalsContact CE1-CG 3.41Å; H2469-H2493 AromaticContact CE1-ND1 3.9Å; H2469-H2493 AromaticContact CE1-NE2 3.76Å; H2469-H2493 PolarHBondContact N-O 3.18Å; H2469-H2493 WeakPolarHBondContact ND1-CB 3.42Å; H2469-H2493 AromaticContact ND1-CD2 3.98Å; H2469-H2493 AromaticContact ND1-CG 3.76Å; H2469-H2493 AromaticContact NE2-CD2 3.27Å; H2469-H2493 PolarHBondContact NE2-CD2 3.19Å; H2469-H2493 VanDerWaalsContact NE2-CD2 3.3Å; H2469-H2493 AromaticContact NE2-CG 3.81Å; H2469-H2493 AromaticContact NE2-NE2 3.91Å |
| 2470 | N | 96.2 | Very high | 92.5 | Very high | 8 Ų | 8 | 39.6 Ų | 39.6 | 4% | 0.043 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -114.9 | -167 | 170 | -85.9 | -89.6 | 0 | 0 | 0 | 109.7 | L2443 N2446 C2447 L2448 L2467 Q2468 I2472 N2494 | L2443-N2470 PolarHBondContact O-ND2 3.04Å; N2446-N2470 WeakPolarHBondContact CA-OD1 3.44Å; N2446-N2470 VanDerWaalsContact CB-OD1 3.24Å; N2446-N2470 WeakPolarHBondContact CB-OD1 3.3Å; N2446-N2470 PolarHBondContact O-OD1 3.12Å; N2446-N2470 VanDerWaalsContact O-OD1 3.13Å; C2447-N2470 PolarHBondContact N-OD1 2.91Å; L2448-N2470 HydrophobicContact CB-CB 4.32Å; L2448-N2470 VanDerWaalsContact CB-OD1 3.28Å; L2448-N2470 WeakPolarHBondContact CB-OD1 3.34Å; L2448-N2470 WeakPolarHBondContact CG-OD1 3.32Å; L2448-N2470 PolarHBondContact N-OD1 2.84Å; L2448-N2470 VanDerWaalsContact N-OD1 3.11Å; L2467-N2470 PolarHBondContact O-ND2 3.29Å; L2467-N2470 VanDerWaalsContact O-ND2 3.15Å; Q2468-N2470 VanDerWaalsContact C-N 3.33Å; Q2468-N2470 PolarHBondContact O-N 3.22Å; Q2468-N2470 PolarHBondContact O-ND2 3.41Å; N2470-I2472 HydrophobicContact CB-CD1 4.4Å; N2470-I2472 HydrophobicContact CB-CG1 4.22Å; N2470-N2494 VanDerWaalsContact CA-OD1 3.31Å; N2470-N2494 WeakPolarHBondContact CA-OD1 3.36Å; N2470-N2494 WeakPolarHBondContact CB-OD1 3.35Å; N2470-N2494 PolarHBondContact N-OD1 2.82Å; N2470-N2494 PolarHBondContact O-OD1 3.18Å |
| 2471 | N | 96.8 | Very high | 92.5 | Very high | 54.3333 Ų | 54.3333 | 35.7 Ų | 35.7 | 29% | 0.291 | 18% | 0.179 | S | C | . | . | trans | -113.4 | 26.1 | -179.2 | -73.7 | -91.8 | 0 | 0 | 0 | 112.4 | L2448 R2449 E2473 N2494 K2495 | L2448-N2471 CarbonylContact O-C 3.35Å; L2448-N2471 VanDerWaalsContact O-C 3.26Å; L2448-N2471 VanDerWaalsContact O-CA 3.26Å; L2448-N2471 WeakPolarHBondContact O-CA 3.27Å; L2448-N2471 WeakPolarHBondContact O-CB 3.18Å; L2448-N2471 PolarHBondContact O-N 3.08Å; R2449-N2471 WeakPolarHBondContact CA-O 3.42Å; R2449-N2471 HydrophobicContact CG-CB 4.28Å; N2471-E2473 PolarHBondContact O-N 3.19Å; N2471-N2494 PolarHBondContact N-OD1 3.05Å; N2471-K2495 PolarHBondContact OD1-NZ 3.08Å | ||
| 2472 | I | 96.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -68.2 | 121.2 | -173.9 | -58 | 170.9 | 0 | 0 | 0 | 110 | L2448 R2449 V2451 L2467 N2470 T2474 L2491 N2494 K2495 I2496 | L2448-I2472 PolarHBondContact O-N 3.09Å; R2449-I2472 WeakPolarHBondContact O-CA 3.28Å; V2451-I2472 HydrophobicContact CG2-CD1 4.19Å; V2451-I2472 HydrophobicContact CG2-CG2 4.37Å; L2467-I2472 HydrophobicContact CB-CD1 4.11Å; L2467-I2472 HydrophobicContact CD1-CD1 4.27Å; N2470-I2472 HydrophobicContact CB-CD1 4.4Å; N2470-I2472 HydrophobicContact CB-CG1 4.22Å; I2472-T2474 WeakPolarHBondContact CG2-O 3.23Å; I2472-L2491 HydrophobicContact CD1-CD2 3.84Å; I2472-N2494 HydrophobicContact CB-CB 4.34Å; I2472-N2494 WeakPolarHBondContact CB-OD1 3.39Å; I2472-N2494 WeakPolarHBondContact CG1-OD1 3.37Å; I2472-N2494 PolarHBondContact N-OD1 3.19Å; I2472-K2495 CarbonylContact O-C 3.38Å; I2472-K2495 VanDerWaalsContact O-CA 3.29Å; I2472-K2495 WeakPolarHBondContact O-CA 3.18Å; I2472-K2495 PolarHBondContact O-N 3.03Å; I2472-I2496 HydrophobicContact CB-CG1 4.4Å; I2472-I2496 HydrophobicContact CG2-CD1 4.4Å; I2472-I2496 HydrophobicContact CG2-CG1 4.11Å; I2472-I2496 WeakPolarHBondContact O-CG1 3.23Å; I2472-I2496 PolarHBondContact O-N 2.96Å; I2472-I2496 VanDerWaalsContact O-N 3.15Å | ||
| 2473 | E | 95 | Very high | 92.3 | Very high | 82.3333 Ų | 82.3333 | 35.9 Ų | 35.9 | 39% | 0.385 | 18% | 0.178 | S | C | . | . | trans | -96.4 | -25.3 | -174.7 | -64.2 | -159.9 | -145.4 | 0 | 0 | 114.9 | R2449 N2471 K2495 I2496 K2497 | R2449-E2473 PolarHBondContact O-N 3.08Å; N2471-E2473 PolarHBondContact O-N 3.19Å; E2473-K2495 WeakPolarHBondContact CA-O 3.24Å; E2473-K2495 HydrophobicContact CG-CB 4.09Å; E2473-I2496 WeakPolarHBondContact O-CA 3.42Å; E2473-K2497 PolarHBondContact O-N 3.04Å; E2473-K2497 IonicContact OE2-NZ 2.75Å; E2473-K2497 PolarHBondContact OE2-NZ 3.09Å | ||
| 2474 | T | 93.8 | Very high | 92.4 | Very high | 44.6667 Ų | 44.6667 | 35.7 Ų | 35.7 | 27% | 0.274 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 157.7 | 179.9 | 53.5 | 0 | 0 | 0 | 0 | 110.3 | I2472 S2498 | I2472-T2474 WeakPolarHBondContact CG2-O 3.23Å; T2474-S2498 WeakPolarHBondContact CA-O 3.14Å |
| 2475 | I | 94 | Very high | 92.5 | Very high | 1.33333 Ų | 1.33333 | 37.1 Ų | 37.1 | 1% | 0.007 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 104.1 | 162.9 | -49.6 | 179.2 | 0 | 0 | 0 | 107.9 | L2491 I2496 S2498 I2499 D2500 F2504 | I2475-L2491 HydrophobicContact CD1-CD1 3.63Å; I2475-I2496 HydrophobicContact CD1-CD1 4.29Å; I2475-I2496 HydrophobicContact CG1-CD1 4.23Å; I2475-I2496 HydrophobicContact CG1-CG2 4.29Å; I2475-S2498 PolarHBondContact N-O 3.09Å; I2475-S2498 VanDerWaalsContact N-O 3.13Å; I2475-I2499 HydrophobicContact CB-CB 4.48Å; I2475-I2499 HydrophobicContact CB-CG1 4.34Å; I2475-I2499 HydrophobicContact CB-CG2 4.19Å; I2475-I2499 HydrophobicContact CD1-CD1 3.96Å; I2475-I2499 HydrophobicContact CD1-CG1 3.84Å; I2475-I2499 HydrophobicContact CD1-CG2 4.27Å; I2475-I2499 HydrophobicContact CG1-CG1 4.14Å; I2475-D2500 WeakPolarHBondContact O-CB 3.15Å; I2475-D2500 PolarHBondContact O-N 3.16Å; I2475-F2504 HydrophobicContact CD1-CE1 4.46Å; I2475-F2504 HydrophobicContact CD1-CE2 3.74Å; I2475-F2504 HydrophobicContact CD1-CZ 3.6Å; I2475-F2504 HydrophobicContact CG2-CD2 4.46Å; I2475-F2504 HydrophobicContact CG2-CE2 3.95Å; I2475-F2504 HydrophobicContact CG2-CZ 4.49Å |
| 2476 | E | 90.6 | Very high | 92.4 | Very high | 114.333 Ų | 114.333 | 37.1 Ų | 37.1 | 53% | 0.534 | 19% | 0.188 | S | C | . | . | trans | -86.5 | 163 | -177.1 | -54.9 | -169.8 | 151.2 | 0 | 0 | 113 | L2478 Q2479 G2503 | E2476-L2478 PolarHBondContact O-N 3.17Å; E2476-Q2479 HydrophobicContact CB-CG 4.08Å; E2476-Q2479 VanDerWaalsContact N-CD 3.3Å; E2476-Q2479 VanDerWaalsContact N-OE1 3.09Å; E2476-Q2479 WeakPolarHBondContact O-CB 3.29Å; E2476-Q2479 VanDerWaalsContact O-CG 3.29Å; E2476-Q2479 WeakPolarHBondContact O-CG 3.3Å; E2476-Q2479 PolarHBondContact O-N 3.16Å; E2476-Q2479 VanDerWaalsContact O-N 3.12Å; E2476-G2503 VanDerWaalsContact O-CA 3.24Å; E2476-G2503 WeakPolarHBondContact O-CA 3.36Å | ||
| 2477 | K | 89.6 | Confident | 92.1 | Very high | 129.667 Ų | 129.667 | 38.2 Ų | 38.2 | 56% | 0.564 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | 125.5 | -179.5 | -167.8 | -175.5 | -177.1 | 172.6 | 0 | 113 | Q2479 D2500 Y2502 | K2477-Q2479 VanDerWaalsContact C-N 3.27Å; K2477-Q2479 PolarHBondContact O-N 3.13Å; K2477-D2500 WeakPolarHBondContact CA-OD1 3.37Å; K2477-D2500 HydrophobicContact CB-CB 4.49Å; K2477-D2500 WeakPolarHBondContact CB-OD1 3.22Å; K2477-D2500 WeakPolarHBondContact CG-OD1 3.35Å; K2477-Y2502 HydrophobicContact CD-CD2 4.29Å; K2477-Y2502 HydrophobicContact CG-CD2 4.38Å |
| 2478 | L | 85.5 | Confident | 91.9 | Very high | 63 Ų | 63 | 39 Ų | 39 | 33% | 0.33 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 16.6 | 178.1 | -50 | 177.6 | 0 | 0 | 0 | 115.9 | R2457 E2476 L2480 M2481 Y2502 N2505 | R2457-L2478 PolarHBondContact NE-O 2.68Å; R2457-L2478 PolarHBondContact NH2-O 2.78Å; E2476-L2478 PolarHBondContact O-N 3.17Å; L2478-L2480 VanDerWaalsContact C-N 3.3Å; L2478-L2480 PolarHBondContact O-N 3.35Å; L2478-M2481 HydrophobicContact CB-SD 4.41Å; L2478-M2481 HydrophobicContact CD1-SD 4.48Å; L2478-M2481 HydrophobicContact CD2-CG 4.44Å; L2478-M2481 HydrophobicContact CD2-SD 4.24Å; L2478-Y2502 WeakPolarHBondContact CA-O 3.3Å; L2478-Y2502 PolarHBondContact N-O 3.21Å; L2478-N2505 HydrophobicContact CD2-CB 3.89Å; L2478-N2505 WeakPolarHBondContact CD2-ND2 3.32Å |
| 2479 | Q | 87.3 | Confident | 91.9 | Very high | 12.6667 Ų | 12.6667 | 37.7 Ų | 37.7 | 6% | 0.059 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -63.2 | -43.4 | 175.3 | -77.9 | -177.5 | -11.2 | 0 | 0 | 112.3 | V2451 A2453 E2476 K2477 | V2451-Q2479 HydrophobicContact CB-CB 4.3Å; V2451-Q2479 HydrophobicContact CG1-CB 4.44Å; A2453-Q2479 WeakPolarHBondContact CA-O 3.5Å; A2453-Q2479 HydrophobicContact CB-CB 4.12Å; A2453-Q2479 HydrophobicContact CB-CG 4.15Å; A2453-Q2479 VanDerWaalsContact CB-O 3.27Å; A2453-Q2479 WeakPolarHBondContact CB-O 3.41Å; E2476-Q2479 HydrophobicContact CB-CG 4.08Å; E2476-Q2479 VanDerWaalsContact N-CD 3.3Å; E2476-Q2479 VanDerWaalsContact N-OE1 3.09Å; E2476-Q2479 WeakPolarHBondContact O-CB 3.29Å; E2476-Q2479 VanDerWaalsContact O-CG 3.29Å; E2476-Q2479 WeakPolarHBondContact O-CG 3.3Å; E2476-Q2479 PolarHBondContact O-N 3.16Å; E2476-Q2479 VanDerWaalsContact O-N 3.12Å; K2477-Q2479 VanDerWaalsContact C-N 3.27Å; K2477-Q2479 PolarHBondContact O-N 3.13Å |
| 2480 | L | 89.4 | Confident | 91.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 97.9 | 175.1 | -67.3 | 170.9 | 0 | 0 | 0 | 109.4 | V2451 L2456 L2465 L2478 M2483 G2503 F2504 N2505 I2507 | V2451-L2480 HydrophobicContact CG1-CD2 3.69Å; V2451-L2480 HydrophobicContact CG1-CG 3.99Å; L2456-L2480 HydrophobicContact CB-CD2 4.46Å; L2456-L2480 HydrophobicContact CD1-CD2 4.15Å; L2465-L2480 HydrophobicContact CD2-CD2 3.77Å; L2478-L2480 VanDerWaalsContact C-N 3.3Å; L2478-L2480 PolarHBondContact O-N 3.35Å; L2480-M2483 HydrophobicContact CB-SD 4.39Å; L2480-M2483 HydrophobicContact CD2-CE 4.49Å; L2480-M2483 HydrophobicContact CD2-SD 3.72Å; L2480-G2503 PolarHBondContact N-O 3.19Å; L2480-F2504 HydrophobicContact CB-CD1 4.19Å; L2480-F2504 HydrophobicContact CD1-CD1 3.63Å; L2480-F2504 HydrophobicContact CD1-CE1 3.41Å; L2480-F2504 VanDerWaalsContact CD1-CE1 3.45Å; L2480-F2504 HydrophobicContact CD1-CG 4.47Å; L2480-F2504 HydrophobicContact CD1-CZ 4.31Å; L2480-F2504 CarbonylContact O-C 3.17Å; L2480-F2504 WeakPolarHBondContact O-CA 3.05Å; L2480-N2505 PolarHBondContact O-N 2.94Å; L2480-I2507 HydrophobicContact CB-CD1 3.94Å |
| 2481 | M | 89.8 | Confident | 91.8 | Very high | 43 Ų | 43 | 36 Ų | 36 | 21% | 0.212 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 135 | -171.5 | -179 | -179.8 | 176.8 | 0 | 0 | 113.5 | R2457 N2458 L2478 M2483 N2505 | R2457-M2481 HydrophobicContact CG-CB 4.24Å; R2457-M2481 HydrophobicContact CG-CG 4.48Å; R2457-M2481 PolarHBondContact NE-SD 3.34Å; R2457-M2481 PolarHBondContact NH2-SD 3.05Å; N2458-M2481 PolarHBondContact N-O 3.06Å; N2458-M2481 VanDerWaalsContact N-O 3.15Å; L2478-M2481 HydrophobicContact CB-SD 4.41Å; L2478-M2481 HydrophobicContact CD1-SD 4.48Å; L2478-M2481 HydrophobicContact CD2-CG 4.44Å; L2478-M2481 HydrophobicContact CD2-SD 4.24Å; M2481-M2483 VanDerWaalsContact C-N 3.28Å; M2481-M2483 PolarHBondContact O-N 2.87Å; M2481-N2505 VanDerWaalsContact CA-O 3.31Å; M2481-N2505 WeakPolarHBondContact CA-O 3.28Å; M2481-N2505 HydrophobicContact CG-CB 4.45Å |
| 2482 | N | 89.1 | Confident | 91.6 | Very high | 38 Ų | 38 | 33.6 Ų | 33.6 | 20% | 0.203 | 17% | 0.17 | C | C | . | . | trans | 61.4 | 32.4 | 173.2 | -95.5 | -3.7 | 0 | 0 | 0 | 114.7 | N2458 V2484 N2505 N2506 | N2458-N2482 WeakPolarHBondContact CA-O 3.39Å; N2458-N2482 HydrophobicContact CB-CB 4.5Å; N2458-N2482 VanDerWaalsContact OD1-CB 3.29Å; N2458-N2482 WeakPolarHBondContact OD1-CB 3.28Å; N2458-N2482 PolarHBondContact OD1-ND2 3.24Å; N2482-V2484 PolarHBondContact O-N 3.23Å; N2482-V2484 VanDerWaalsContact O-N 3.1Å; N2482-N2505 PolarHBondContact N-O 3.18Å; N2482-N2505 VanDerWaalsContact N-O 3.09Å; N2482-N2506 PolarHBondContact OD1-ND2 3.16Å | ||
| 2483 | M | 91.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -91.4 | 62.9 | 178.4 | -59.4 | 175.3 | 75.6 | 0 | 0 | 109.5 | L2456 F2459 L2462 L2465 L2480 M2481 S2485 L2486 I2507 | L2456-M2483 HydrophobicContact CB-CE 4.35Å; L2456-M2483 HydrophobicContact CB-SD 4.38Å; F2459-M2483 HydrophobicContact CB-CE 4.08Å; F2459-M2483 HydrophobicContact CB-CG 4.36Å; F2459-M2483 WeakPolarHBondContact O-CA 3.43Å; L2462-M2483 HydrophobicContact CB-CE 4.4Å; L2462-M2483 HydrophobicContact CD2-CE 3.54Å; L2465-M2483 HydrophobicContact CD2-CE 4.36Å; L2480-M2483 HydrophobicContact CB-SD 4.39Å; L2480-M2483 HydrophobicContact CD2-CE 4.49Å; L2480-M2483 HydrophobicContact CD2-SD 3.72Å; M2481-M2483 VanDerWaalsContact C-N 3.28Å; M2481-M2483 PolarHBondContact O-N 2.87Å; M2483-S2485 VanDerWaalsContact C-N 3.26Å; M2483-S2485 PolarHBondContact O-N 2.9Å; M2483-S2485 VanDerWaalsContact O-N 3.09Å; M2483-L2486 HydrophobicContact CB-CB 3.94Å; M2483-L2486 HydrophobicContact CB-CD2 4.09Å; M2483-L2486 HydrophobicContact CE-CD1 4.24Å; M2483-L2486 HydrophobicContact CE-CD2 3.89Å; M2483-L2486 VanDerWaalsContact O-CB 3.25Å; M2483-L2486 WeakPolarHBondContact O-CB 3.45Å; M2483-L2486 PolarHBondContact O-N 3.23Å; M2483-L2486 HydrophobicContact SD-CD2 4.08Å; M2483-I2507 HydrophobicContact CB-CD1 4.25Å; M2483-I2507 HydrophobicContact CB-CG1 4.35Å; M2483-I2507 HydrophobicContact SD-CD1 4.48Å | ||
| 2484 | V | 90.3 | Very high | 91.6 | Very high | 47 Ų | 47 | 32.8 Ų | 32.8 | 29% | 0.285 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -22.5 | -162.1 | -64.1 | 0 | 0 | 0 | 0 | 115.6 | K2460 N2482 N2509 | K2460-V2484 HydrophobicContact CB-CG2 4.31Å; K2460-V2484 HydrophobicContact CG-CG2 4.32Å; N2482-V2484 PolarHBondContact O-N 3.23Å; N2482-V2484 VanDerWaalsContact O-N 3.1Å; V2484-N2509 PolarHBondContact O-ND2 3.29Å |
| 2485 | S | 90.2 | Very high | 91.8 | Very high | 43 Ų | 43 | 34.5 Ų | 34.5 | 30% | 0.301 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -1.3 | 177.5 | -61.4 | 0 | 0 | 0 | 0 | 114 | K2460 L2462 L2463 M2483 L2487 | K2460-S2485 VanDerWaalsContact O-CB 3.27Å; K2460-S2485 WeakPolarHBondContact O-CB 3.35Å; K2460-S2485 PolarHBondContact O-OG 3.06Å; L2462-S2485 CarbonylContact O-C 3.3Å; L2463-S2485 WeakPolarHBondContact CD2-O 3.4Å; M2483-S2485 VanDerWaalsContact C-N 3.26Å; M2483-S2485 PolarHBondContact O-N 2.9Å; M2483-S2485 VanDerWaalsContact O-N 3.09Å; S2485-L2487 WeakPolarHBondContact O-CD2 3.48Å; S2485-L2487 VanDerWaalsContact O-CG 3.25Å; S2485-L2487 WeakPolarHBondContact O-CG 3.45Å; S2485-L2487 PolarHBondContact O-N 3.18Å |
| 2486 | L | 92.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -69.5 | 126.1 | -175.1 | -169.2 | 70.8 | 0 | 0 | 0 | 110.4 | L2462 L2465 M2483 V2489 I2507 N2509 M2510 | L2462-L2486 HydrophobicContact CB-CD1 4.42Å; L2462-L2486 HydrophobicContact CD2-CD1 4.1Å; L2462-L2486 HydrophobicContact CG-CD1 4.25Å; L2462-L2486 VanDerWaalsContact O-CA 3.23Å; L2462-L2486 WeakPolarHBondContact O-CA 3.21Å; L2462-L2486 PolarHBondContact O-N 2.98Å; L2462-L2486 VanDerWaalsContact O-N 3.09Å; L2465-L2486 HydrophobicContact CB-CD1 4.09Å; M2483-L2486 HydrophobicContact CB-CB 3.94Å; M2483-L2486 HydrophobicContact CB-CD2 4.09Å; M2483-L2486 HydrophobicContact CE-CD1 4.24Å; M2483-L2486 HydrophobicContact CE-CD2 3.89Å; M2483-L2486 VanDerWaalsContact O-CB 3.25Å; M2483-L2486 WeakPolarHBondContact O-CB 3.45Å; M2483-L2486 PolarHBondContact O-N 3.23Å; M2483-L2486 HydrophobicContact SD-CD2 4.08Å; L2486-V2489 HydrophobicContact CD2-CG2 3.59Å; L2486-V2489 HydrophobicContact CG-CG2 4.21Å; L2486-I2507 HydrophobicContact CB-CG2 3.83Å; L2486-I2507 HydrophobicContact CD2-CD1 4.34Å; L2486-I2507 HydrophobicContact CD2-CG2 4.11Å; L2486-I2507 HydrophobicContact CG-CG2 4.42Å; L2486-I2507 WeakPolarHBondContact O-CG2 3.49Å; L2486-N2509 CarbonylContact O-C 3.55Å; L2486-N2509 VanDerWaalsContact O-C 3.26Å; L2486-M2510 HydrophobicContact CD2-CE 4.26Å; L2486-M2510 WeakPolarHBondContact O-CA 3.47Å; L2486-M2510 PolarHBondContact O-N 3.1Å | ||
| 2487 | L | 90.2 | Very high | 92.1 | Very high | 36.6667 Ų | 36.6667 | 33.4 Ų | 33.4 | 19% | 0.192 | 16% | 0.163 | C | C | . | . | trans | -109.8 | -27.8 | -176.9 | -52.5 | -177.6 | 0 | 0 | 0 | 111.7 | S2081 R2082 L2463 S2485 N2509 R2511 Y2512 | S2081-L2487 VanDerWaalsContact C-CD1 3.42Å; S2081-L2487 WeakPolarHBondContact O-CD1 3.11Å; S2081-L2487 WeakPolarHBondContact OG-CD1 3.14Å; R2082-L2487 HydrophobicContact CG-CD1 4.17Å; L2463-L2487 HydrophobicContact CD2-CD1 4.45Å; L2463-L2487 WeakPolarHBondContact O-CA 3.32Å; L2463-L2487 PolarHBondContact O-N 3.11Å; S2485-L2487 WeakPolarHBondContact O-CD2 3.48Å; S2485-L2487 VanDerWaalsContact O-CG 3.25Å; S2485-L2487 WeakPolarHBondContact O-CG 3.45Å; S2485-L2487 PolarHBondContact O-N 3.18Å; L2487-N2509 HydrophobicContact CD2-CB 3.87Å; L2487-N2509 VanDerWaalsContact CD2-O 3.28Å; L2487-N2509 WeakPolarHBondContact CD2-O 3.38Å; L2487-R2511 HydrophobicContact CB-CB 4.03Å; L2487-R2511 CarbonylContact O-C 3.25Å; L2487-R2511 VanDerWaalsContact O-CA 3.31Å; L2487-R2511 WeakPolarHBondContact O-CA 3.29Å; L2487-R2511 VanDerWaalsContact O-CB 3.27Å; L2487-R2511 WeakPolarHBondContact O-CB 3.41Å; L2487-R2511 PolarHBondContact O-N 3.19Å; L2487-Y2512 PolarHBondContact O-N 2.9Å | ||
| 2488 | M | 91.5 | Very high | 92.2 | Very high | 17.3333 Ų | 17.3333 | 30.3 Ų | 30.3 | 9% | 0.085 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 130.5 | -167.1 | -178.5 | -176.7 | -67.3 | 0 | 0 | 111.6 | V1847 R2082 A2085 L2463 A2464 L2465 R2490 Y2512 F2514 | V1847-M2488 HydrophobicContact CB-CE 4.44Å; V1847-M2488 HydrophobicContact CG1-CE 3.29Å; R2082-M2488 WeakPolarHBondContact O-CE 3.32Å; A2085-M2488 HydrophobicContact CB-CE 3.53Å; A2085-M2488 HydrophobicContact CB-CG 4Å; A2085-M2488 HydrophobicContact CB-SD 3.72Å; A2085-M2488 PolarHBondContact N-SD 2.73Å; L2463-M2488 PolarHBondContact O-N 3.08Å; A2464-M2488 WeakPolarHBondContact CA-O 3.09Å; A2464-M2488 HydrophobicContact CB-CB 4.27Å; A2464-M2488 HydrophobicContact CB-CG 4.16Å; A2464-M2488 HydrophobicContact CB-SD 3.57Å; A2464-M2488 VanDerWaalsContact CB-SD 3.57Å; L2465-M2488 PolarHBondContact N-O 2.99Å; L2465-M2488 VanDerWaalsContact N-O 3.08Å; M2488-R2490 HydrophobicContact CG-CG 4.32Å; M2488-R2490 HydrophobicContact SD-CG 3.92Å; M2488-R2490 PolarHBondContact SD-NE 2.88Å; M2488-R2490 VanDerWaalsContact SD-NE 3.4Å; M2488-Y2512 WeakPolarHBondContact CA-O 3.4Å; M2488-Y2512 HydrophobicContact CB-CD2 4.35Å; M2488-Y2512 HydrophobicContact CE-CD2 3.48Å; M2488-Y2512 HydrophobicContact CE-CE2 3.97Å; M2488-Y2512 HydrophobicContact CE-CG 3.9Å; M2488-Y2512 HydrophobicContact CG-CD2 4.4Å; M2488-F2514 HydrophobicContact CE-CE2 4.12Å; M2488-F2514 HydrophobicContact CG-CD2 4.3Å; M2488-F2514 HydrophobicContact CG-CE2 4.12Å; M2488-F2514 HydrophobicContact SD-CE2 4.15Å |
| 2489 | V | 93.5 | Very high | 92.6 | Very high | 0.333333 Ų | 0.333333 | 28.3 Ų | 28.3 | 0% | 0.002 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 126.7 | 167.9 | 175.4 | 0 | 0 | 0 | 0 | 109.5 | L2465 L2486 L2491 F2504 M2510 Y2512 L2513 F2514 | L2465-V2489 WeakPolarHBondContact O-CA 3.44Å; L2486-V2489 HydrophobicContact CD2-CG2 3.59Å; L2486-V2489 HydrophobicContact CG-CG2 4.21Å; V2489-L2491 HydrophobicContact CG1-CD1 3.62Å; V2489-L2491 HydrophobicContact CG1-CG 3.77Å; V2489-F2504 HydrophobicContact CB-CE1 4.49Å; V2489-F2504 HydrophobicContact CG1-CE1 4.43Å; V2489-F2504 HydrophobicContact CG2-CE1 4.23Å; V2489-M2510 HydrophobicContact CB-CE 4.09Å; V2489-M2510 HydrophobicContact CB-SD 4.37Å; V2489-M2510 HydrophobicContact CG2-CE 3.59Å; V2489-M2510 HydrophobicContact CG2-SD 4.07Å; V2489-Y2512 PolarHBondContact N-O 2.95Å; V2489-L2513 HydrophobicContact CB-CD1 4.35Å; V2489-F2514 PolarHBondContact O-N 2.99Å; V2489-F2514 VanDerWaalsContact O-N 3.09Å |
| 2490 | R | 93.1 | Very high | 92.8 | Very high | 28 Ų | 28 | 30.2 Ų | 30.2 | 11% | 0.106 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 118.7 | 169.5 | -71.4 | -172.2 | -158.3 | 149.3 | -5 | 110.7 | E1838 I1840 N1846 G1848 S2084 L2465 H2466 L2467 Q2468 M2488 F2514 | E1838-R2490 PolarHBondContact O-NH1 3.3Å; I1840-R2490 VanDerWaalsContact CG1-NH2 3.3Å; N1846-R2490 PolarHBondContact OD1-NH2 3.03Å; G1848-R2490 PolarHBondContact O-NH2 3.41Å; S2084-R2490 PolarHBondContact O-NE 3.19Å; S2084-R2490 PolarHBondContact O-NH2 3.38Å; L2465-R2490 PolarHBondContact O-N 3.25Å; H2466-R2490 PolarHBondContact CE1-NH1 2.66Å; H2466-R2490 VanDerWaalsContact CE1-NH1 3.31Å; H2466-R2490 PolarHBondContact CE1-NH2 3.15Å; H2466-R2490 PolarHBondContact ND1-NH2 2.85Å; L2467-R2490 CarbonylContact C-O 3.37Å; L2467-R2490 WeakPolarHBondContact CA-O 3.42Å; L2467-R2490 PolarHBondContact N-O 3.27Å; Q2468-R2490 HydrophobicContact CG-CB 4.48Å; Q2468-R2490 VanDerWaalsContact NE2-NH1 3.13Å; M2488-R2490 HydrophobicContact CG-CG 4.32Å; M2488-R2490 HydrophobicContact SD-CG 3.92Å; M2488-R2490 PolarHBondContact SD-NE 2.88Å; M2488-R2490 VanDerWaalsContact SD-NE 3.4Å; R2490-F2514 HydrophobicContact CG-CB 4.16Å; R2490-F2514 HydrophobicContact CG-CD2 3.61Å; R2490-F2514 HydrophobicContact CG-CE2 4.33Å; R2490-F2514 HydrophobicContact CG-CG 4.1Å |
| 2491 | L | 96.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -125.6 | 13.8 | 176.9 | -73.2 | 160.9 | 0 | 0 | 0 | 111.6 | L2467 I2472 I2475 V2489 N2494 I2496 F2504 F2514 L2515 N2518 | L2467-L2491 HydrophobicContact CB-CD2 3.81Å; L2467-L2491 HydrophobicContact CD1-CD2 3.98Å; I2472-L2491 HydrophobicContact CD1-CD2 3.84Å; I2475-L2491 HydrophobicContact CD1-CD1 3.63Å; V2489-L2491 HydrophobicContact CG1-CD1 3.62Å; V2489-L2491 HydrophobicContact CG1-CG 3.77Å; L2491-N2494 WeakPolarHBondContact O-CB 3.32Å; L2491-N2494 PolarHBondContact O-ND2 3.17Å; L2491-I2496 HydrophobicContact CB-CD1 3.87Å; L2491-I2496 HydrophobicContact CD1-CD1 4.21Å; L2491-I2496 HydrophobicContact CD2-CD1 4.18Å; L2491-I2496 HydrophobicContact CG-CD1 4.32Å; L2491-F2504 HydrophobicContact CD1-CZ 4.27Å; L2491-F2514 WeakPolarHBondContact CA-O 3.35Å; L2491-F2514 PolarHBondContact N-O 3.18Å; L2491-L2515 HydrophobicContact CB-CD2 3.94Å; L2491-L2515 HydrophobicContact CD1-CD2 4.01Å; L2491-N2518 PolarHBondContact O-ND2 2.98Å | ||
| 2492 | S | 93.7 | Very high | 92.7 | Very high | 4.33333 Ų | 4.33333 | 40 Ų | 40 | 3% | 0.03 | 19% | 0.193 | C | C | . | . | trans | -47.3 | 145.4 | 175.5 | -47.2 | 0 | 0 | 0 | 0 | 113.1 | Q2468 H2469 N2494 F2514 D2516 | Q2468-S2492 CarbonylContact C-O 3.4Å; Q2468-S2492 WeakPolarHBondContact CA-O 3.31Å; Q2468-S2492 VanDerWaalsContact CB-O 3.29Å; Q2468-S2492 WeakPolarHBondContact CB-O 3.41Å; H2469-S2492 PolarHBondContact N-O 3.01Å; S2492-N2494 PolarHBondContact O-N 3.06Å; S2492-N2494 PolarHBondContact O-ND2 3.02Å; S2492-F2514 WeakPolarHBondContact OG-CB 3.28Å; S2492-D2516 CarbonylContact C-O 3.54Å; S2492-D2516 VanDerWaalsContact CA-O 3.29Å; S2492-D2516 WeakPolarHBondContact CA-O 3.33Å; S2492-D2516 WeakPolarHBondContact CB-OD1 3.37Å; S2492-D2516 VanDerWaalsContact CB-OD2 3.24Å; S2492-D2516 WeakPolarHBondContact CB-OD2 3.33Å; S2492-D2516 PolarHBondContact OG-OD1 3.22Å | ||
| 2493 | H | 96.2 | Very high | 92.7 | Very high | 54.6667 Ų | 54.6667 | 38.2 Ų | 38.2 | 25% | 0.253 | 18% | 0.184 | S | C | . | . | S | Bend | trans | 51.9 | 50.9 | 178.9 | -59.4 | -84.9 | 0 | 0 | 0 | 113.7 | H2469 D2516 H2517 | H2469-H2493 VanDerWaalsContact CA-O 3.31Å; H2469-H2493 WeakPolarHBondContact CA-O 3.4Å; H2469-H2493 AromaticContact CE1-CD2 3.22Å; H2469-H2493 PolarHBondContact CE1-CD2 3.11Å; H2469-H2493 AromaticContact CE1-CG 3.37Å; H2469-H2493 VanDerWaalsContact CE1-CG 3.41Å; H2469-H2493 AromaticContact CE1-ND1 3.9Å; H2469-H2493 AromaticContact CE1-NE2 3.76Å; H2469-H2493 PolarHBondContact N-O 3.18Å; H2469-H2493 WeakPolarHBondContact ND1-CB 3.42Å; H2469-H2493 AromaticContact ND1-CD2 3.98Å; H2469-H2493 AromaticContact ND1-CG 3.76Å; H2469-H2493 AromaticContact NE2-CD2 3.27Å; H2469-H2493 PolarHBondContact NE2-CD2 3.19Å; H2469-H2493 VanDerWaalsContact NE2-CD2 3.3Å; H2469-H2493 AromaticContact NE2-CG 3.81Å; H2469-H2493 AromaticContact NE2-NE2 3.91Å; H2493-D2516 PolarHBondContact N-O 3.04Å; H2493-D2516 VanDerWaalsContact N-O 3.12Å; H2493-H2517 VanDerWaalsContact CA-O 3.31Å; H2493-H2517 WeakPolarHBondContact CA-O 3.37Å; H2493-H2517 HydrophobicContact CB-CB 4.37Å; H2493-H2517 AromaticContact CE1-CD2 3.59Å; H2493-H2517 PolarHBondContact CE1-CD2 2.9Å; H2493-H2517 VanDerWaalsContact CE1-CD2 3.47Å; H2493-H2517 AromaticContact CE1-CE1 3.72Å; H2493-H2517 AromaticContact CE1-CG 3.3Å; H2493-H2517 AromaticContact CE1-ND1 3.39Å; H2493-H2517 PolarHBondContact CE1-ND1 3.27Å; H2493-H2517 VanDerWaalsContact CE1-ND1 3.34Å; H2493-H2517 AromaticContact CE1-NE2 3.84Å; H2493-H2517 VanDerWaalsContact ND1-CB 3.33Å; H2493-H2517 WeakPolarHBondContact ND1-CB 3.47Å; H2493-H2517 AromaticContact ND1-CD2 3.9Å; H2493-H2517 AromaticContact ND1-CG 3.49Å; H2493-H2517 AromaticContact ND1-ND1 3.95Å; H2493-H2517 AromaticContact NE2-CE1 3.88Å; H2493-H2517 AromaticContact NE2-CG 3.89Å; H2493-H2517 AromaticContact NE2-ND1 3.55Å; H2493-H2517 PolarHBondContact NE2-ND1 3.49Å |
| 2494 | N | 96.2 | Very high | 92.6 | Very high | 10.3333 Ų | 10.3333 | 38.3 Ų | 38.3 | 6% | 0.055 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -114.5 | -160.5 | 171 | -86.2 | -89 | 0 | 0 | 0 | 110.1 | L2467 N2470 N2471 I2472 L2491 S2492 I2496 H2517 N2518 | L2467-N2494 PolarHBondContact O-ND2 2.88Å; N2470-N2494 VanDerWaalsContact CA-OD1 3.31Å; N2470-N2494 WeakPolarHBondContact CA-OD1 3.36Å; N2470-N2494 WeakPolarHBondContact CB-OD1 3.35Å; N2470-N2494 PolarHBondContact N-OD1 2.82Å; N2470-N2494 PolarHBondContact O-OD1 3.18Å; N2471-N2494 PolarHBondContact N-OD1 3.05Å; I2472-N2494 HydrophobicContact CB-CB 4.34Å; I2472-N2494 WeakPolarHBondContact CB-OD1 3.39Å; I2472-N2494 WeakPolarHBondContact CG1-OD1 3.37Å; I2472-N2494 PolarHBondContact N-OD1 3.19Å; L2491-N2494 WeakPolarHBondContact O-CB 3.32Å; L2491-N2494 PolarHBondContact O-ND2 3.17Å; S2492-N2494 PolarHBondContact O-N 3.06Å; S2492-N2494 PolarHBondContact O-ND2 3.02Å; N2494-I2496 HydrophobicContact CB-CD1 4.25Å; N2494-I2496 HydrophobicContact CB-CG1 4.06Å; N2494-H2517 PolarHBondContact N-O 3.3Å; N2494-N2518 WeakPolarHBondContact CA-OD1 3.36Å; N2494-N2518 WeakPolarHBondContact CB-OD1 3.36Å; N2494-N2518 PolarHBondContact N-OD1 2.78Å; N2494-N2518 PolarHBondContact O-OD1 3.03Å |
| 2495 | K | 96.5 | Very high | 92.5 | Very high | 80.6667 Ų | 80.6667 | 38.6 Ų | 38.6 | 35% | 0.351 | 18% | 0.184 | S | C | . | . | trans | -119.9 | 24.5 | -178.8 | -67.5 | 171.3 | 177.3 | 169 | 0 | 111.4 | N2471 I2472 E2473 K2497 N2518 | N2471-K2495 PolarHBondContact OD1-NZ 3.08Å; I2472-K2495 CarbonylContact O-C 3.38Å; I2472-K2495 VanDerWaalsContact O-CA 3.29Å; I2472-K2495 WeakPolarHBondContact O-CA 3.18Å; I2472-K2495 PolarHBondContact O-N 3.03Å; E2473-K2495 WeakPolarHBondContact CA-O 3.24Å; E2473-K2495 HydrophobicContact CG-CB 4.09Å; K2495-K2497 PolarHBondContact O-N 3Å; K2495-K2497 VanDerWaalsContact O-N 3.14Å; K2495-N2518 PolarHBondContact N-OD1 3.12Å | ||
| 2496 | I | 96.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -68.1 | 113.3 | -168.6 | -58.2 | 170.2 | 0 | 0 | 0 | 109.7 | I2472 E2473 I2475 L2491 N2494 I2499 L2515 N2518 Q2519 L2520 | I2472-I2496 HydrophobicContact CB-CG1 4.4Å; I2472-I2496 HydrophobicContact CG2-CD1 4.4Å; I2472-I2496 HydrophobicContact CG2-CG1 4.11Å; I2472-I2496 WeakPolarHBondContact O-CG1 3.23Å; I2472-I2496 PolarHBondContact O-N 2.96Å; I2472-I2496 VanDerWaalsContact O-N 3.15Å; E2473-I2496 WeakPolarHBondContact O-CA 3.42Å; I2475-I2496 HydrophobicContact CD1-CD1 4.29Å; I2475-I2496 HydrophobicContact CG1-CD1 4.23Å; I2475-I2496 HydrophobicContact CG1-CG2 4.29Å; L2491-I2496 HydrophobicContact CB-CD1 3.87Å; L2491-I2496 HydrophobicContact CD1-CD1 4.21Å; L2491-I2496 HydrophobicContact CD2-CD1 4.18Å; L2491-I2496 HydrophobicContact CG-CD1 4.32Å; N2494-I2496 HydrophobicContact CB-CD1 4.25Å; N2494-I2496 HydrophobicContact CB-CG1 4.06Å; I2496-I2499 HydrophobicContact CG2-CG1 4.01Å; I2496-L2515 HydrophobicContact CD1-CD2 4.04Å; I2496-N2518 HydrophobicContact CB-CB 4.3Å; I2496-N2518 VanDerWaalsContact CB-OD1 3.25Å; I2496-N2518 WeakPolarHBondContact CB-OD1 3.36Å; I2496-N2518 VanDerWaalsContact CG1-OD1 3.27Å; I2496-N2518 WeakPolarHBondContact CG1-OD1 3.36Å; I2496-N2518 PolarHBondContact N-OD1 3.11Å; I2496-Q2519 CarbonylContact O-C 3.39Å; I2496-Q2519 VanDerWaalsContact O-CA 3.31Å; I2496-Q2519 WeakPolarHBondContact O-CA 3.19Å; I2496-Q2519 PolarHBondContact O-N 3.01Å; I2496-L2520 HydrophobicContact CG2-CD2 3.95Å; I2496-L2520 PolarHBondContact O-N 3.25Å; I2496-L2520 VanDerWaalsContact O-N 3.13Å | ||
| 2497 | K | 94.6 | Very high | 92.4 | Very high | 92.6667 Ų | 92.6667 | 40.3 Ų | 40.3 | 40% | 0.403 | 19% | 0.19 | S | C | . | . | trans | -90.7 | -30.6 | 178.7 | -66.4 | 153.3 | -172.2 | 167.2 | 0 | 112.6 | E2473 K2495 Q2519 | E2473-K2497 PolarHBondContact O-N 3.04Å; E2473-K2497 IonicContact OE2-NZ 2.75Å; E2473-K2497 PolarHBondContact OE2-NZ 3.09Å; K2495-K2497 PolarHBondContact O-N 3Å; K2495-K2497 VanDerWaalsContact O-N 3.14Å; K2497-Q2519 HydrophobicContact CG-CB 3.94Å | ||
| 2498 | S | 92.7 | Very high | 92.3 | Very high | 64.3333 Ų | 64.3333 | 41.1 Ų | 41.1 | 45% | 0.45 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 154.5 | -175.5 | 58.5 | 0 | 0 | 0 | 0 | 112.3 | T2474 I2475 | T2474-S2498 WeakPolarHBondContact CA-O 3.14Å; I2475-S2498 PolarHBondContact N-O 3.09Å; I2475-S2498 VanDerWaalsContact N-O 3.13Å |
| 2499 | I | 93.5 | Very high | 92.2 | Very high | 21 Ų | 21 | 43.4 Ų | 43.4 | 11% | 0.108 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 122 | 178.8 | -59.7 | 177.2 | 0 | 0 | 0 | 107.7 | I2475 I2496 F2504 L2515 L2520 V2527 | I2475-I2499 HydrophobicContact CB-CB 4.48Å; I2475-I2499 HydrophobicContact CB-CG1 4.34Å; I2475-I2499 HydrophobicContact CB-CG2 4.19Å; I2475-I2499 HydrophobicContact CD1-CD1 3.96Å; I2475-I2499 HydrophobicContact CD1-CG1 3.84Å; I2475-I2499 HydrophobicContact CD1-CG2 4.27Å; I2475-I2499 HydrophobicContact CG1-CG1 4.14Å; I2496-I2499 HydrophobicContact CG2-CG1 4.01Å; I2499-F2504 HydrophobicContact CD1-CE2 4.45Å; I2499-F2504 HydrophobicContact CG2-CD2 4.2Å; I2499-F2504 HydrophobicContact CG2-CE2 3.9Å; I2499-L2515 HydrophobicContact CD1-CD1 3.65Å; I2499-L2515 VanDerWaalsContact CD1-CD1 3.46Å; I2499-L2515 HydrophobicContact CD1-CD2 4Å; I2499-L2515 HydrophobicContact CD1-CG 4.37Å; I2499-L2520 HydrophobicContact CD1-CD1 4.39Å; I2499-L2520 HydrophobicContact CD1-CD2 4.3Å; I2499-L2520 HydrophobicContact CG1-CD2 4.16Å; I2499-V2527 HydrophobicContact CB-CG1 4.16Å; I2499-V2527 HydrophobicContact CG2-CG1 3.75Å |
| 2500 | D | 91.8 | Very high | 92.1 | Very high | 53 Ų | 53 | 43.4 Ų | 43.4 | 28% | 0.283 | 21% | 0.21 | S | C | . | . | trans | -67.5 | 144 | 174.6 | 177.6 | -100.7 | 0 | 0 | 0 | 111.1 | I2475 K2477 Y2502 G2503 Q2530 | I2475-D2500 WeakPolarHBondContact O-CB 3.15Å; I2475-D2500 PolarHBondContact O-N 3.16Å; K2477-D2500 WeakPolarHBondContact CA-OD1 3.37Å; K2477-D2500 HydrophobicContact CB-CB 4.49Å; K2477-D2500 WeakPolarHBondContact CB-OD1 3.22Å; K2477-D2500 WeakPolarHBondContact CG-OD1 3.35Å; D2500-Y2502 PolarHBondContact O-N 3.27Å; D2500-Y2502 VanDerWaalsContact O-N 3.09Å; D2500-Y2502 WeakPolarHBondContact OD1-CA 3.27Å; D2500-Y2502 WeakPolarHBondContact OD1-CB 3.44Å; D2500-Y2502 PolarHBondContact OD1-N 3.17Å; D2500-G2503 PolarHBondContact O-N 3.24Å; D2500-G2503 PolarHBondContact OD1-N 2.86Å; D2500-Q2530 PolarHBondContact O-NE2 3.12Å; D2500-Q2530 VanDerWaalsContact O-NE2 3.09Å | ||
| 2501 | R | 88.1 | Confident | 92 | Very high | 138 Ų | 138 | 45.1 Ų | 45.1 | 52% | 0.521 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -14.8 | 177.2 | 66.7 | -177 | 154.1 | -179.6 | -2.2 | 115.4 | E2524 V2527 | R2501-E2524 IonicContact CZ-OE2 3.2Å; R2501-E2524 IonicContact NE-OE2 2.75Å; R2501-E2524 PolarHBondContact NE-OE2 3.09Å; R2501-E2524 IonicContact NH2-OE1 2.66Å; R2501-E2524 IonicContact NH2-OE2 2.71Å; R2501-E2524 PolarHBondContact NH2-OE2 3.02Å; R2501-V2527 HydrophobicContact CB-CG2 4.4Å |
| 2502 | Y | 89 | Confident | 91.7 | Very high | 110 Ų | 110 | 46.3 Ų | 46.3 | 43% | 0.431 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | 17.5 | 172.5 | -52.7 | -68 | 0 | 0 | 0 | 112.5 | K2477 L2478 D2500 F2504 | K2477-Y2502 HydrophobicContact CD-CD2 4.29Å; K2477-Y2502 HydrophobicContact CG-CD2 4.38Å; L2478-Y2502 WeakPolarHBondContact CA-O 3.3Å; L2478-Y2502 PolarHBondContact N-O 3.21Å; D2500-Y2502 PolarHBondContact O-N 3.27Å; D2500-Y2502 VanDerWaalsContact O-N 3.09Å; D2500-Y2502 WeakPolarHBondContact OD1-CA 3.27Å; D2500-Y2502 WeakPolarHBondContact OD1-CB 3.44Å; D2500-Y2502 PolarHBondContact OD1-N 3.17Å; Y2502-F2504 VanDerWaalsContact C-N 3.29Å; Y2502-F2504 CarbonylContact C-O 3.53Å; Y2502-F2504 PolarHBondContact O-N 2.85Å |
| 2503 | G | 89 | Confident | 91.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -40.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | E2476 L2480 D2500 | E2476-G2503 VanDerWaalsContact O-CA 3.24Å; E2476-G2503 WeakPolarHBondContact O-CA 3.36Å; L2480-G2503 PolarHBondContact N-O 3.19Å; D2500-G2503 PolarHBondContact O-N 3.24Å; D2500-G2503 PolarHBondContact OD1-N 2.86Å |
| 2504 | F | 89.6 | Confident | 91.7 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.018 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 114.8 | 162.4 | -55.4 | -90.3 | 0 | 0 | 0 | 109.1 | I2475 L2480 V2489 L2491 I2499 Y2502 I2507 M2510 L2513 Q2530 F2531 | I2475-F2504 HydrophobicContact CD1-CE1 4.46Å; I2475-F2504 HydrophobicContact CD1-CE2 3.74Å; I2475-F2504 HydrophobicContact CD1-CZ 3.6Å; I2475-F2504 HydrophobicContact CG2-CD2 4.46Å; I2475-F2504 HydrophobicContact CG2-CE2 3.95Å; I2475-F2504 HydrophobicContact CG2-CZ 4.49Å; L2480-F2504 HydrophobicContact CB-CD1 4.19Å; L2480-F2504 HydrophobicContact CD1-CD1 3.63Å; L2480-F2504 HydrophobicContact CD1-CE1 3.41Å; L2480-F2504 VanDerWaalsContact CD1-CE1 3.45Å; L2480-F2504 HydrophobicContact CD1-CG 4.47Å; L2480-F2504 HydrophobicContact CD1-CZ 4.31Å; L2480-F2504 CarbonylContact O-C 3.17Å; L2480-F2504 WeakPolarHBondContact O-CA 3.05Å; V2489-F2504 HydrophobicContact CB-CE1 4.49Å; V2489-F2504 HydrophobicContact CG1-CE1 4.43Å; V2489-F2504 HydrophobicContact CG2-CE1 4.23Å; L2491-F2504 HydrophobicContact CD1-CZ 4.27Å; I2499-F2504 HydrophobicContact CD1-CE2 4.45Å; I2499-F2504 HydrophobicContact CG2-CD2 4.2Å; I2499-F2504 HydrophobicContact CG2-CE2 3.9Å; Y2502-F2504 VanDerWaalsContact C-N 3.29Å; Y2502-F2504 CarbonylContact C-O 3.53Å; Y2502-F2504 PolarHBondContact O-N 2.85Å; F2504-I2507 HydrophobicContact CB-CD1 4.08Å; F2504-I2507 HydrophobicContact CD1-CD1 4.07Å; F2504-M2510 HydrophobicContact CD1-CE 4.15Å; F2504-M2510 HydrophobicContact CD1-SD 3.82Å; F2504-M2510 HydrophobicContact CE1-CE 4.07Å; F2504-M2510 HydrophobicContact CE1-SD 4.14Å; F2504-L2513 HydrophobicContact CZ-CD1 4.26Å; F2504-Q2530 HydrophobicContact CB-CG 4.33Å; F2504-Q2530 PolarHBondContact O-NE2 3.05Å; F2504-Q2530 PolarHBondContact O-OE1 3.06Å; F2504-F2531 HydrophobicContact CB-CE1 4.03Å; F2504-F2531 HydrophobicContact CB-CZ 3.95Å; F2504-F2531 AromaticContact CD1-CE1 3.78Å; F2504-F2531 HydrophobicContact CD1-CE1 3.78Å; F2504-F2531 HydrophobicContact CD1-CZ 4.24Å; F2504-F2531 AromaticContact CD2-CE1 3.67Å; F2504-F2531 HydrophobicContact CD2-CE1 3.67Å; F2504-F2531 HydrophobicContact CD2-CE2 4.43Å; F2504-F2531 AromaticContact CD2-CZ 3.72Å; F2504-F2531 HydrophobicContact CD2-CZ 3.72Å; F2504-F2531 VanDerWaalsContact CD2-CZ 3.45Å; F2504-F2531 HydrophobicContact CE1-CE1 4.23Å; F2504-F2531 HydrophobicContact CE1-CZ 4.46Å; F2504-F2531 HydrophobicContact CE2-CE1 4.14Å; F2504-F2531 AromaticContact CE2-CZ 3.66Å; F2504-F2531 HydrophobicContact CE2-CZ 4.2Å; F2504-F2531 AromaticContact CG-CE1 3.47Å; F2504-F2531 HydrophobicContact CG-CE1 4.12Å; F2504-F2531 VanDerWaalsContact CG-CE1 3.47Å; F2504-F2531 AromaticContact CG-CZ 3.73Å; F2504-F2531 HydrophobicContact CG-CZ 3.73Å; F2504-F2531 HydrophobicContact CZ-CE1 4.39Å; F2504-F2531 HydrophobicContact CZ-CZ 4.17Å |
| 2505 | N | 88.9 | Confident | 91.7 | Very high | 51.6667 Ų | 51.6667 | 44 Ų | 44 | 28% | 0.276 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 129.3 | 179.9 | -176 | 22 | 0 | 0 | 0 | 112.5 | L2478 L2480 M2481 N2482 | L2478-N2505 HydrophobicContact CD2-CB 3.89Å; L2478-N2505 WeakPolarHBondContact CD2-ND2 3.32Å; L2480-N2505 PolarHBondContact O-N 2.94Å; M2481-N2505 VanDerWaalsContact CA-O 3.31Å; M2481-N2505 WeakPolarHBondContact CA-O 3.28Å; M2481-N2505 HydrophobicContact CG-CB 4.45Å; N2482-N2505 PolarHBondContact N-O 3.18Å; N2482-N2505 VanDerWaalsContact N-O 3.09Å |
| 2506 | N | 88.2 | Confident | 91.6 | Very high | 75 Ų | 75 | 40.5 Ų | 40.5 | 40% | 0.401 | 20% | 0.195 | S | C | . | . | S | Bend | trans | 56.1 | 55.8 | -177.7 | -170 | 29.8 | 0 | 0 | 0 | 112.6 | N2482 P2508 | N2482-N2506 PolarHBondContact OD1-ND2 3.16Å; N2506-P2508 VanDerWaalsContact C-CD 3.42Å; N2506-P2508 WeakPolarHBondContact O-CD 3.13Å |
| 2507 | I | 90.8 | Very high | 91.6 | Very high | 4.33333 Ų | 4.33333 | 42.7 Ų | 42.7 | 2% | 0.022 | 21% | 0.205 | C | C | . | . | trans | -123.4 | 62.2 | 174.4 | -43.1 | -175.4 | 0 | 0 | 0 | 109.5 | L2480 M2483 L2486 F2504 N2509 M2510 | L2480-I2507 HydrophobicContact CB-CD1 3.94Å; M2483-I2507 HydrophobicContact CB-CD1 4.25Å; M2483-I2507 HydrophobicContact CB-CG1 4.35Å; M2483-I2507 HydrophobicContact SD-CD1 4.48Å; L2486-I2507 HydrophobicContact CB-CG2 3.83Å; L2486-I2507 HydrophobicContact CD2-CD1 4.34Å; L2486-I2507 HydrophobicContact CD2-CG2 4.11Å; L2486-I2507 HydrophobicContact CG-CG2 4.42Å; L2486-I2507 WeakPolarHBondContact O-CG2 3.49Å; F2504-I2507 HydrophobicContact CB-CD1 4.08Å; F2504-I2507 HydrophobicContact CD1-CD1 4.07Å; I2507-N2509 VanDerWaalsContact C-N 3.29Å; I2507-N2509 PolarHBondContact O-N 2.97Å; I2507-N2509 VanDerWaalsContact O-N 3.13Å; I2507-M2510 HydrophobicContact CB-CE 4.44Å; I2507-M2510 HydrophobicContact CD1-CE 4.27Å; I2507-M2510 HydrophobicContact CG2-CB 4.08Å; I2507-M2510 HydrophobicContact CG2-CE 3.84Å; I2507-M2510 HydrophobicContact CG2-SD 4.43Å; I2507-M2510 WeakPolarHBondContact O-CB 3.23Å; I2507-M2510 PolarHBondContact O-N 3.01Å; I2507-M2510 VanDerWaalsContact O-N 3.14Å | ||
| 2508 | P | 88 | Confident | 91.6 | Very high | 54 Ų | 54 | 38.6 Ų | 38.6 | 35% | 0.351 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -18.2 | -166.2 | 29.3 | -37.5 | 0 | 0 | 0 | 114.4 | N2506 H2533 | N2506-P2508 VanDerWaalsContact C-CD 3.42Å; N2506-P2508 WeakPolarHBondContact O-CD 3.13Å; P2508-H2533 PolarHBondContact O-ND1 3.27Å |
| 2509 | N | 89.5 | Confident | 91.8 | Very high | 66 Ų | 66 | 39.1 Ų | 39.1 | 35% | 0.353 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 7.6 | -176.4 | -69.1 | -59.5 | 0 | 0 | 0 | 113.9 | V2484 L2486 L2487 I2507 R2511 | V2484-N2509 PolarHBondContact O-ND2 3.29Å; L2486-N2509 CarbonylContact O-C 3.55Å; L2486-N2509 VanDerWaalsContact O-C 3.26Å; L2487-N2509 HydrophobicContact CD2-CB 3.87Å; L2487-N2509 VanDerWaalsContact CD2-O 3.28Å; L2487-N2509 WeakPolarHBondContact CD2-O 3.38Å; I2507-N2509 VanDerWaalsContact C-N 3.29Å; I2507-N2509 PolarHBondContact O-N 2.97Å; I2507-N2509 VanDerWaalsContact O-N 3.13Å; N2509-R2511 WeakPolarHBondContact O-CB 3.03Å; N2509-R2511 VanDerWaalsContact O-CG 3.24Å; N2509-R2511 WeakPolarHBondContact O-CG 3.14Å; N2509-R2511 PolarHBondContact O-N 2.83Å |
| 2510 | M | 92 | Very high | 91.9 | Very high | 0.333333 Ų | 0.333333 | 38.4 Ų | 38.4 | 0% | 0.002 | 18% | 0.179 | C | C | . | . | trans | -59.2 | 131.2 | 178.6 | -167.7 | 98.8 | 112.7 | 0 | 0 | 110.9 | L2486 V2489 F2504 I2507 L2513 F2531 H2533 L2534 | L2486-M2510 HydrophobicContact CD2-CE 4.26Å; L2486-M2510 WeakPolarHBondContact O-CA 3.47Å; L2486-M2510 PolarHBondContact O-N 3.1Å; V2489-M2510 HydrophobicContact CB-CE 4.09Å; V2489-M2510 HydrophobicContact CB-SD 4.37Å; V2489-M2510 HydrophobicContact CG2-CE 3.59Å; V2489-M2510 HydrophobicContact CG2-SD 4.07Å; F2504-M2510 HydrophobicContact CD1-CE 4.15Å; F2504-M2510 HydrophobicContact CD1-SD 3.82Å; F2504-M2510 HydrophobicContact CE1-CE 4.07Å; F2504-M2510 HydrophobicContact CE1-SD 4.14Å; I2507-M2510 HydrophobicContact CB-CE 4.44Å; I2507-M2510 HydrophobicContact CD1-CE 4.27Å; I2507-M2510 HydrophobicContact CG2-CB 4.08Å; I2507-M2510 HydrophobicContact CG2-CE 3.84Å; I2507-M2510 HydrophobicContact CG2-SD 4.43Å; I2507-M2510 WeakPolarHBondContact O-CB 3.23Å; I2507-M2510 PolarHBondContact O-N 3.01Å; I2507-M2510 VanDerWaalsContact O-N 3.14Å; M2510-L2513 HydrophobicContact CE-CB 4.01Å; M2510-L2513 HydrophobicContact CE-CD1 3.68Å; M2510-L2513 HydrophobicContact CE-CG 4.32Å; M2510-F2531 HydrophobicContact CB-CB 4.36Å; M2510-F2531 HydrophobicContact CB-CD1 3.44Å; M2510-F2531 HydrophobicContact CB-CE1 3.93Å; M2510-F2531 HydrophobicContact CB-CG 4.08Å; M2510-F2531 HydrophobicContact CE-CD1 4.29Å; M2510-F2531 HydrophobicContact CE-CE1 4.02Å; M2510-F2531 HydrophobicContact CE-CZ 4.39Å; M2510-F2531 HydrophobicContact CG-CD1 4.03Å; M2510-F2531 HydrophobicContact CG-CE1 4.08Å; M2510-F2531 HydrophobicContact CG-CG 4.11Å; M2510-F2531 HydrophobicContact CG-CZ 4.36Å; M2510-F2531 HydrophobicContact SD-CD1 3.74Å; M2510-F2531 HydrophobicContact SD-CE1 3.65Å; M2510-H2533 CarbonylContact O-C 3.57Å; M2510-H2533 WeakPolarHBondContact O-CB 3.3Å; M2510-H2533 VanDerWaalsContact O-O 3.13Å; M2510-L2534 HydrophobicContact CG-CD1 4.2Å; M2510-L2534 WeakPolarHBondContact O-CA 3.18Å; M2510-L2534 PolarHBondContact O-N 3.12Å; M2510-L2534 VanDerWaalsContact O-N 3.11Å | ||
| 2511 | R | 90.4 | Very high | 91.9 | Very high | 63 Ų | 63 | 40.2 Ų | 40.2 | 24% | 0.238 | 19% | 0.189 | C | C | . | . | trans | -129.9 | -28.4 | -171 | -80.8 | 176.6 | -175 | -129.9 | 7 | 113.5 | N2079 R2082 L2487 N2509 H2533 L2534 E2535 I2536 | N2079-R2511 PolarHBondContact OD1-NH1 3.03Å; N2079-R2511 PolarHBondContact OD1-NH2 2.99Å; R2082-R2511 PolarHBondContact NH2-O 2.95Å; L2487-R2511 HydrophobicContact CB-CB 4.03Å; L2487-R2511 CarbonylContact O-C 3.25Å; L2487-R2511 VanDerWaalsContact O-CA 3.31Å; L2487-R2511 WeakPolarHBondContact O-CA 3.29Å; L2487-R2511 VanDerWaalsContact O-CB 3.27Å; L2487-R2511 WeakPolarHBondContact O-CB 3.41Å; L2487-R2511 PolarHBondContact O-N 3.19Å; N2509-R2511 WeakPolarHBondContact O-CB 3.03Å; N2509-R2511 VanDerWaalsContact O-CG 3.24Å; N2509-R2511 WeakPolarHBondContact O-CG 3.14Å; N2509-R2511 PolarHBondContact O-N 2.83Å; R2511-H2533 WeakPolarHBondContact CA-O 3.46Å; R2511-H2533 HydrophobicContact CG-CB 3.98Å; R2511-H2533 WeakPolarHBondContact CG-O 3.37Å; R2511-L2534 WeakPolarHBondContact O-CD1 3.38Å; R2511-E2535 HydrophobicContact CB-CB 4.38Å; R2511-E2535 HydrophobicContact CB-CG 4.42Å; R2511-E2535 VanDerWaalsContact CD-OE1 3.32Å; R2511-E2535 WeakPolarHBondContact CD-OE1 3.47Å; R2511-E2535 HydrophobicContact CG-CG 4.36Å; R2511-E2535 IonicContact CZ-OE1 3.59Å; R2511-E2535 VanDerWaalsContact CZ-OE1 3.28Å; R2511-E2535 IonicContact NE-OE1 3.35Å; R2511-E2535 PolarHBondContact NE-OE1 2.94Å; R2511-E2535 IonicContact NH1-OE1 2.93Å; R2511-E2535 PolarHBondContact NH1-OE1 3.13Å; R2511-E2535 IonicContact NH1-OE2 3.65Å; R2511-E2535 PolarHBondContact O-N 3.35Å; R2511-I2536 PolarHBondContact O-N 3.14Å | ||
| 2512 | Y | 90.7 | Very high | 92 | Very high | 24.3333 Ų | 24.3333 | 37.3 Ų | 37.3 | 10% | 0.095 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 123.9 | -178.5 | -48.3 | -75.7 | 0 | 0 | 0 | 110.1 | V1847 R2082 A2085 L2487 M2488 V2489 E2535 I2536 | V1847-Y2512 HydrophobicContact CB-CD1 4.21Å; V1847-Y2512 HydrophobicContact CB-CD2 3.99Å; V1847-Y2512 HydrophobicContact CB-CE1 3.78Å; V1847-Y2512 HydrophobicContact CB-CE2 3.57Å; V1847-Y2512 HydrophobicContact CB-CG 4.32Å; V1847-Y2512 VanDerWaalsContact CB-CZ 3.46Å; V1847-Y2512 HydrophobicContact CG1-CD1 3.35Å; V1847-Y2512 HydrophobicContact CG1-CD2 3.55Å; V1847-Y2512 HydrophobicContact CG1-CE1 3.41Å; V1847-Y2512 VanDerWaalsContact CG1-CE1 3.41Å; V1847-Y2512 HydrophobicContact CG1-CE2 3.64Å; V1847-Y2512 HydrophobicContact CG1-CG 3.43Å; V1847-Y2512 VanDerWaalsContact CG1-CG 3.43Å; V1847-Y2512 HydrophobicContact CG2-CD2 3.72Å; V1847-Y2512 HydrophobicContact CG2-CE1 4.45Å; V1847-Y2512 HydrophobicContact CG2-CE2 3.29Å; V1847-Y2512 HydrophobicContact CG2-CG 4.49Å; R2082-Y2512 HydrophobicContact CB-CE2 4.15Å; R2082-Y2512 VanDerWaalsContact CD-OH 3.31Å; R2082-Y2512 WeakPolarHBondContact CD-OH 3.39Å; R2082-Y2512 HydrophobicContact CG-CD2 4.34Å; R2082-Y2512 HydrophobicContact CG-CE2 3.51Å; R2082-Y2512 VanDerWaalsContact NE-CE2 3.25Å; R2082-Y2512 PolarHBondContact NE-OH 3.24Å; R2082-Y2512 WeakPolarHBondContact O-CE2 3.48Å; A2085-Y2512 HydrophobicContact CB-CD2 4.05Å; A2085-Y2512 HydrophobicContact CB-CE2 4.4Å; A2085-Y2512 HydrophobicContact CB-CG 4.33Å; L2487-Y2512 PolarHBondContact O-N 2.9Å; M2488-Y2512 WeakPolarHBondContact CA-O 3.4Å; M2488-Y2512 HydrophobicContact CB-CD2 4.35Å; M2488-Y2512 HydrophobicContact CE-CD2 3.48Å; M2488-Y2512 HydrophobicContact CE-CE2 3.97Å; M2488-Y2512 HydrophobicContact CE-CG 3.9Å; M2488-Y2512 HydrophobicContact CG-CD2 4.4Å; V2489-Y2512 PolarHBondContact N-O 2.95Å; Y2512-E2535 HydrophobicContact CE1-CB 4.05Å; Y2512-E2535 WeakPolarHBondContact CE1-OE2 3.31Å; Y2512-E2535 PolarHBondContact OH-OE2 3.06Å; Y2512-I2536 WeakPolarHBondContact CA-O 3.31Å; Y2512-I2536 HydrophobicContact CD1-CB 3.94Å; Y2512-I2536 HydrophobicContact CD1-CD1 3.81Å; Y2512-I2536 HydrophobicContact CD1-CG1 3.87Å; Y2512-I2536 HydrophobicContact CE1-CB 4.32Å; Y2512-I2536 HydrophobicContact CE1-CD1 3.78Å; Y2512-I2536 HydrophobicContact CE1-CG1 4.02Å |
| 2513 | L | 94.3 | Very high | 91.9 | Very high | 2.66667 Ų | 2.66667 | 32.9 Ų | 32.9 | 1% | 0.014 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 118.8 | -179.6 | 178 | 60.7 | 0 | 0 | 0 | 109.6 | V2489 F2504 M2510 L2515 L2528 F2531 L2534 I2536 A2537 D2538 | V2489-L2513 HydrophobicContact CB-CD1 4.35Å; F2504-L2513 HydrophobicContact CZ-CD1 4.26Å; M2510-L2513 HydrophobicContact CE-CB 4.01Å; M2510-L2513 HydrophobicContact CE-CD1 3.68Å; M2510-L2513 HydrophobicContact CE-CG 4.32Å; L2513-L2515 HydrophobicContact CD1-CD1 4.01Å; L2513-L2515 HydrophobicContact CD1-CD2 4.48Å; L2513-L2515 HydrophobicContact CD1-CG 4.02Å; L2513-L2515 HydrophobicContact CD2-CD1 3.8Å; L2513-L2515 HydrophobicContact CG-CD1 3.85Å; L2513-L2515 HydrophobicContact CG-CG 4.14Å; L2513-L2528 HydrophobicContact CD2-CD2 3.8Å; L2513-F2531 HydrophobicContact CD2-CD2 4.06Å; L2513-F2531 HydrophobicContact CD2-CE1 4.47Å; L2513-F2531 HydrophobicContact CD2-CE2 4Å; L2513-F2531 HydrophobicContact CD2-CZ 3.85Å; L2513-L2534 HydrophobicContact CB-CD1 3.83Å; L2513-L2534 HydrophobicContact CB-CD2 4.48Å; L2513-L2534 HydrophobicContact CD2-CD2 4.48Å; L2513-I2536 PolarHBondContact N-O 3.09Å; L2513-I2536 VanDerWaalsContact N-O 3.13Å; L2513-A2537 WeakPolarHBondContact O-CA 3.3Å; L2513-D2538 PolarHBondContact O-N 3.15Å |
| 2514 | F | 95.1 | Very high | 91.7 | Very high | 16.3333 Ų | 16.3333 | 37.8 Ų | 37.8 | 7% | 0.072 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 113.5 | 177.1 | -55.3 | -92.1 | 0 | 0 | 0 | 109.3 | A2085 V2087 M2488 V2489 R2490 L2491 S2492 D2538 | A2085-F2514 HydrophobicContact CB-CE2 3.53Å; A2085-F2514 HydrophobicContact CB-CZ 3.78Å; V2087-F2514 HydrophobicContact CG2-CE1 3.92Å; V2087-F2514 HydrophobicContact CG2-CZ 4.47Å; M2488-F2514 HydrophobicContact CE-CE2 4.12Å; M2488-F2514 HydrophobicContact CG-CD2 4.3Å; M2488-F2514 HydrophobicContact CG-CE2 4.12Å; M2488-F2514 HydrophobicContact SD-CE2 4.15Å; V2489-F2514 PolarHBondContact O-N 2.99Å; V2489-F2514 VanDerWaalsContact O-N 3.09Å; R2490-F2514 HydrophobicContact CG-CB 4.16Å; R2490-F2514 HydrophobicContact CG-CD2 3.61Å; R2490-F2514 HydrophobicContact CG-CE2 4.33Å; R2490-F2514 HydrophobicContact CG-CG 4.1Å; L2491-F2514 WeakPolarHBondContact CA-O 3.35Å; L2491-F2514 PolarHBondContact N-O 3.18Å; S2492-F2514 WeakPolarHBondContact OG-CB 3.28Å; F2514-D2538 HydrophobicContact CD1-CB 3.88Å; F2514-D2538 HydrophobicContact CE1-CB 4.41Å |
| 2515 | L | 96 | Very high | 91.3 | Very high | 1.66667 Ų | 1.66667 | 40.2 Ų | 40.2 | 1% | 0.009 | 21% | 0.209 | C | C | . | . | trans | -125.9 | 16.2 | -179.3 | -76.6 | 165.8 | 0 | 0 | 0 | 111.1 | L2491 I2496 I2499 L2513 N2518 L2520 D2538 L2539 N2542 | L2491-L2515 HydrophobicContact CB-CD2 3.94Å; L2491-L2515 HydrophobicContact CD1-CD2 4.01Å; I2496-L2515 HydrophobicContact CD1-CD2 4.04Å; I2499-L2515 HydrophobicContact CD1-CD1 3.65Å; I2499-L2515 VanDerWaalsContact CD1-CD1 3.46Å; I2499-L2515 HydrophobicContact CD1-CD2 4Å; I2499-L2515 HydrophobicContact CD1-CG 4.37Å; L2513-L2515 HydrophobicContact CD1-CD1 4.01Å; L2513-L2515 HydrophobicContact CD1-CD2 4.48Å; L2513-L2515 HydrophobicContact CD1-CG 4.02Å; L2513-L2515 HydrophobicContact CD2-CD1 3.8Å; L2513-L2515 HydrophobicContact CG-CD1 3.85Å; L2513-L2515 HydrophobicContact CG-CG 4.14Å; L2515-N2518 WeakPolarHBondContact O-CB 3.32Å; L2515-N2518 PolarHBondContact O-ND2 3.03Å; L2515-L2520 HydrophobicContact CB-CD1 4.32Å; L2515-L2520 HydrophobicContact CD1-CD1 4.38Å; L2515-D2538 CarbonylContact C-O 3.46Å; L2515-D2538 WeakPolarHBondContact CA-O 3.35Å; L2515-D2538 WeakPolarHBondContact CB-O 3.24Å; L2515-D2538 PolarHBondContact N-O 3Å; L2515-L2539 HydrophobicContact CB-CD2 3.94Å; L2515-L2539 HydrophobicContact CD1-CD2 3.95Å; L2515-N2542 PolarHBondContact O-ND2 3.06Å | ||
| 2516 | D | 94.5 | Very high | 90.9 | Very high | 8.66667 Ų | 8.66667 | 42.4 Ų | 42.4 | 5% | 0.046 | 22% | 0.221 | C | C | . | . | trans | -60.9 | 157.9 | 179.8 | 62.5 | -78 | 0 | 0 | 0 | 112.7 | S2492 H2493 N2518 S2540 | S2492-D2516 CarbonylContact C-O 3.54Å; S2492-D2516 VanDerWaalsContact CA-O 3.29Å; S2492-D2516 WeakPolarHBondContact CA-O 3.33Å; S2492-D2516 WeakPolarHBondContact CB-OD1 3.37Å; S2492-D2516 VanDerWaalsContact CB-OD2 3.24Å; S2492-D2516 WeakPolarHBondContact CB-OD2 3.33Å; S2492-D2516 PolarHBondContact OG-OD1 3.22Å; H2493-D2516 PolarHBondContact N-O 3.04Å; H2493-D2516 VanDerWaalsContact N-O 3.12Å; D2516-N2518 VanDerWaalsContact C-N 3.32Å; D2516-N2518 PolarHBondContact O-N 2.99Å; D2516-N2518 PolarHBondContact O-ND2 3.16Å; D2516-S2540 CarbonylContact C-O 3.48Å; D2516-S2540 WeakPolarHBondContact CA-O 3.21Å; D2516-S2540 WeakPolarHBondContact CB-OG 3.33Å | ||
| 2517 | H | 96 | Very high | 90.8 | Very high | 45.6667 Ų | 45.6667 | 39.3 Ų | 39.3 | 21% | 0.211 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 52.2 | 46.5 | 179 | -58 | 92.7 | 0 | 0 | 0 | 113.5 | H2493 N2494 S2540 Y2541 | H2493-H2517 VanDerWaalsContact CA-O 3.31Å; H2493-H2517 WeakPolarHBondContact CA-O 3.37Å; H2493-H2517 HydrophobicContact CB-CB 4.37Å; H2493-H2517 AromaticContact CE1-CD2 3.59Å; H2493-H2517 PolarHBondContact CE1-CD2 2.9Å; H2493-H2517 VanDerWaalsContact CE1-CD2 3.47Å; H2493-H2517 AromaticContact CE1-CE1 3.72Å; H2493-H2517 AromaticContact CE1-CG 3.3Å; H2493-H2517 AromaticContact CE1-ND1 3.39Å; H2493-H2517 PolarHBondContact CE1-ND1 3.27Å; H2493-H2517 VanDerWaalsContact CE1-ND1 3.34Å; H2493-H2517 AromaticContact CE1-NE2 3.84Å; H2493-H2517 VanDerWaalsContact ND1-CB 3.33Å; H2493-H2517 WeakPolarHBondContact ND1-CB 3.47Å; H2493-H2517 AromaticContact ND1-CD2 3.9Å; H2493-H2517 AromaticContact ND1-CG 3.49Å; H2493-H2517 AromaticContact ND1-ND1 3.95Å; H2493-H2517 AromaticContact NE2-CE1 3.88Å; H2493-H2517 AromaticContact NE2-CG 3.89Å; H2493-H2517 AromaticContact NE2-ND1 3.55Å; H2493-H2517 PolarHBondContact NE2-ND1 3.49Å; N2494-H2517 PolarHBondContact N-O 3.3Å; H2517-S2540 PolarHBondContact N-O 3.17Å; H2517-Y2541 WeakPolarHBondContact CA-O 3.16Å; H2517-Y2541 AromaticContact CD2-CG 3.82Å; H2517-Y2541 AromaticContact CE1-CD2 3.65Å; H2517-Y2541 AromaticContact CE1-CG 3.98Å; H2517-Y2541 AromaticContact NE2-CD2 3.49Å; H2517-Y2541 WeakPolarHBondContact NE2-CD2 3.42Å; H2517-Y2541 AromaticContact NE2-CE2 3.99Å; H2517-Y2541 AromaticContact NE2-CG 3.55Å |
| 2518 | N | 96.2 | Very high | 90.7 | Very high | 7.33333 Ų | 7.33333 | 39.3 Ų | 39.3 | 4% | 0.039 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -119 | -162.7 | 177 | -86.9 | -84 | 0 | 0 | 0 | 111 | L2491 N2494 K2495 I2496 L2515 D2516 N2542 | L2491-N2518 PolarHBondContact O-ND2 2.98Å; N2494-N2518 WeakPolarHBondContact CA-OD1 3.36Å; N2494-N2518 WeakPolarHBondContact CB-OD1 3.36Å; N2494-N2518 PolarHBondContact N-OD1 2.78Å; N2494-N2518 PolarHBondContact O-OD1 3.03Å; K2495-N2518 PolarHBondContact N-OD1 3.12Å; I2496-N2518 HydrophobicContact CB-CB 4.3Å; I2496-N2518 VanDerWaalsContact CB-OD1 3.25Å; I2496-N2518 WeakPolarHBondContact CB-OD1 3.36Å; I2496-N2518 VanDerWaalsContact CG1-OD1 3.27Å; I2496-N2518 WeakPolarHBondContact CG1-OD1 3.36Å; I2496-N2518 PolarHBondContact N-OD1 3.11Å; L2515-N2518 WeakPolarHBondContact O-CB 3.32Å; L2515-N2518 PolarHBondContact O-ND2 3.03Å; D2516-N2518 VanDerWaalsContact C-N 3.32Å; D2516-N2518 PolarHBondContact O-N 2.99Å; D2516-N2518 PolarHBondContact O-ND2 3.16Å; N2518-N2542 WeakPolarHBondContact CA-OD1 3.33Å; N2518-N2542 WeakPolarHBondContact CB-OD1 3.36Å; N2518-N2542 PolarHBondContact O-OD1 3.02Å |
| 2519 | Q | 95.8 | Very high | 90.6 | Very high | 73.3333 Ų | 73.3333 | 40.4 Ų | 40.4 | 34% | 0.343 | 21% | 0.205 | S | C | . | . | trans | -121.6 | 24.9 | -174 | -59.1 | -174.8 | 0.5 | 0 | 0 | 112.3 | I2496 K2497 N2521 N2542 | I2496-Q2519 CarbonylContact O-C 3.39Å; I2496-Q2519 VanDerWaalsContact O-CA 3.31Å; I2496-Q2519 WeakPolarHBondContact O-CA 3.19Å; I2496-Q2519 PolarHBondContact O-N 3.01Å; K2497-Q2519 HydrophobicContact CG-CB 3.94Å; Q2519-N2521 PolarHBondContact O-N 2.95Å; Q2519-N2521 PolarHBondContact O-OD1 3.14Å; Q2519-N2542 PolarHBondContact N-OD1 3.26Å | ||
| 2520 | L | 95 | Very high | 90.4 | Very high | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | trans | -67.4 | 118.4 | -179.9 | -61.1 | 172.4 | 0 | 0 | 0 | 109.8 | I2496 I2499 L2515 L2539 N2542 N2543 I2544 | I2496-L2520 HydrophobicContact CG2-CD2 3.95Å; I2496-L2520 PolarHBondContact O-N 3.25Å; I2496-L2520 VanDerWaalsContact O-N 3.13Å; I2499-L2520 HydrophobicContact CD1-CD1 4.39Å; I2499-L2520 HydrophobicContact CD1-CD2 4.3Å; I2499-L2520 HydrophobicContact CG1-CD2 4.16Å; L2515-L2520 HydrophobicContact CB-CD1 4.32Å; L2515-L2520 HydrophobicContact CD1-CD1 4.38Å; L2520-L2539 HydrophobicContact CD1-CD2 3.92Å; L2520-N2542 HydrophobicContact CB-CB 4.22Å; L2520-N2542 VanDerWaalsContact CB-OD1 3.29Å; L2520-N2542 WeakPolarHBondContact CB-OD1 3.32Å; L2520-N2542 WeakPolarHBondContact CG-OD1 3.29Å; L2520-N2542 PolarHBondContact N-OD1 3.12Å; L2520-N2543 CarbonylContact O-C 3.43Å; L2520-N2543 VanDerWaalsContact O-C 3.25Å; L2520-N2543 VanDerWaalsContact O-CA 3.3Å; L2520-N2543 WeakPolarHBondContact O-CA 3.32Å; L2520-N2543 PolarHBondContact O-N 2.97Å; L2520-I2544 PolarHBondContact O-N 2.82Å | ||
| 2521 | N | 92 | Very high | 90.3 | Very high | 91 Ų | 91 | 39.7 Ų | 39.7 | 49% | 0.487 | 20% | 0.2 | S | C | . | . | trans | -90.8 | -25.9 | 178.1 | -59.7 | -28.7 | 0 | 0 | 0 | 112.7 | Q2519 N2543 I2544 | Q2519-N2521 PolarHBondContact O-N 2.95Å; Q2519-N2521 PolarHBondContact O-OD1 3.14Å; N2521-N2543 WeakPolarHBondContact OD1-CB 3.24Å; N2521-N2543 PolarHBondContact OD1-ND2 3.07Å; N2521-N2543 VanDerWaalsContact OD1-ND2 3.12Å; N2521-I2544 WeakPolarHBondContact O-CA 3.41Å | ||
| 2522 | V | 89.8 | Confident | 90.2 | Very high | 76 Ų | 76 | 42 Ų | 42 | 46% | 0.461 | 21% | 0.213 | S | C | . | . | trans | -149.4 | 147.3 | -176.6 | 149.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 2523 | I | 88.3 | Confident | 90.3 | Very high | 18 Ų | 18 | 43.2 Ų | 43.2 | 9% | 0.092 | 22% | 0.219 | C | C | . | . | trans | -102.6 | 106.3 | 167.2 | -50.1 | 172.1 | 0 | 0 | 0 | 107.5 | L2528 L2539 I2544 I2547 V2551 F2552 | I2523-L2528 HydrophobicContact CG2-CD1 3.99Å; I2523-L2528 HydrophobicContact CG2-CD2 4.46Å; I2523-L2528 HydrophobicContact CG2-CG 4.16Å; I2523-L2539 HydrophobicContact CD1-CD1 3.75Å; I2523-L2539 HydrophobicContact CD1-CD2 4.01Å; I2523-L2539 HydrophobicContact CD1-CG 4.39Å; I2523-I2544 HydrophobicContact CD1-CD1 3.89Å; I2523-I2544 HydrophobicContact CG1-CD1 3.96Å; I2523-I2544 HydrophobicContact CG1-CG1 4.42Å; I2523-I2547 HydrophobicContact CD1-CD1 4.33Å; I2523-V2551 HydrophobicContact CB-CG1 3.75Å; I2523-V2551 HydrophobicContact CD1-CG1 4.19Å; I2523-V2551 HydrophobicContact CG1-CG1 4.49Å; I2523-V2551 HydrophobicContact CG2-CG1 3.57Å; I2523-F2552 HydrophobicContact CD1-CE1 4.26Å; I2523-F2552 HydrophobicContact CD1-CZ 4.1Å | ||
| 2524 | E | 85.3 | Confident | 90.2 | Very high | 103 Ų | 103 | 43 Ų | 43 | 48% | 0.481 | 22% | 0.218 | S | C | . | . | trans | -63.3 | 135 | 177.6 | -80.1 | -142.3 | -168.9 | 0 | 0 | 111.3 | R2501 N2526 V2527 | R2501-E2524 IonicContact CZ-OE2 3.2Å; R2501-E2524 IonicContact NE-OE2 2.75Å; R2501-E2524 PolarHBondContact NE-OE2 3.09Å; R2501-E2524 IonicContact NH2-OE1 2.66Å; R2501-E2524 IonicContact NH2-OE2 2.71Å; R2501-E2524 PolarHBondContact NH2-OE2 3.02Å; E2524-N2526 PolarHBondContact O-N 3.02Å; E2524-V2527 HydrophobicContact CB-CG2 3.69Å; E2524-V2527 WeakPolarHBondContact O-CB 3.27Å; E2524-V2527 VanDerWaalsContact O-CG2 3.32Å; E2524-V2527 WeakPolarHBondContact O-CG2 3.35Å; E2524-V2527 PolarHBondContact O-N 3.14Å; E2524-V2527 VanDerWaalsContact O-N 3.11Å | ||
| 2525 | P | 80.6 | Confident | 90.1 | Very high | 55 Ų | 55 | 43.4 Ų | 43.4 | 36% | 0.357 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 148.6 | 168.8 | -26.9 | 35.5 | 0 | 0 | 0 | 111.9 | V2527 V2551 | P2525-V2527 VanDerWaalsContact C-N 3.27Å; P2525-V2527 PolarHBondContact O-N 2.93Å; P2525-V2551 HydrophobicContact CG-CG2 4.34Å |
| 2526 | N | 80.2 | Confident | 89.9 | Confident | 98 Ų | 98 | 44.6 Ų | 44.6 | 52% | 0.524 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72 | -16.6 | -173.9 | -37 | -84.4 | 0 | 0 | 0 | 116.3 | E2524 L2528 Q2529 | E2524-N2526 PolarHBondContact O-N 3.02Å; N2526-L2528 VanDerWaalsContact C-N 3.35Å; N2526-L2528 PolarHBondContact O-N 3.04Å; N2526-Q2529 HydrophobicContact CB-CB 4.46Å; N2526-Q2529 WeakPolarHBondContact O-CB 3.32Å; N2526-Q2529 PolarHBondContact O-N 2.9Å; N2526-Q2529 PolarHBondContact OD1-OE1 3.05Å |
| 2527 | V | 86.6 | Confident | 89.9 | Confident | 9.33333 Ų | 9.33333 | 44.3 Ų | 44.3 | 6% | 0.057 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -45.6 | 179 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | I2499 R2501 E2524 P2525 Q2529 Q2530 | I2499-V2527 HydrophobicContact CB-CG1 4.16Å; I2499-V2527 HydrophobicContact CG2-CG1 3.75Å; R2501-V2527 HydrophobicContact CB-CG2 4.4Å; E2524-V2527 HydrophobicContact CB-CG2 3.69Å; E2524-V2527 WeakPolarHBondContact O-CB 3.27Å; E2524-V2527 VanDerWaalsContact O-CG2 3.32Å; E2524-V2527 WeakPolarHBondContact O-CG2 3.35Å; E2524-V2527 PolarHBondContact O-N 3.14Å; E2524-V2527 VanDerWaalsContact O-N 3.11Å; P2525-V2527 VanDerWaalsContact C-N 3.27Å; P2525-V2527 PolarHBondContact O-N 2.93Å; V2527-Q2529 VanDerWaalsContact C-N 3.3Å; V2527-Q2529 PolarHBondContact O-N 3.27Å; V2527-Q2530 WeakPolarHBondContact O-CG 3.44Å; V2527-Q2530 PolarHBondContact O-NE2 2.94Å |
| 2528 | L | 88.5 | Confident | 89.8 | Confident | 5.33333 Ų | 5.33333 | 42.8 Ų | 42.8 | 3% | 0.028 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -82.5 | -20 | 178.8 | -59.3 | -178.5 | 0 | 0 | 0 | 113.4 | L2513 I2523 N2526 Q2530 F2531 V2551 F2552 L2555 | L2513-L2528 HydrophobicContact CD2-CD2 3.8Å; I2523-L2528 HydrophobicContact CG2-CD1 3.99Å; I2523-L2528 HydrophobicContact CG2-CD2 4.46Å; I2523-L2528 HydrophobicContact CG2-CG 4.16Å; N2526-L2528 VanDerWaalsContact C-N 3.35Å; N2526-L2528 PolarHBondContact O-N 3.04Å; L2528-Q2530 PolarHBondContact O-N 3.22Å; L2528-F2531 HydrophobicContact CB-CD2 4.4Å; L2528-F2531 HydrophobicContact CD2-CD2 4.13Å; L2528-F2531 HydrophobicContact CD2-CE2 3.98Å; L2528-F2531 WeakPolarHBondContact O-CB 3.37Å; L2528-F2531 VanDerWaalsContact O-CD2 3.27Å; L2528-F2531 WeakPolarHBondContact O-CD2 3.27Å; L2528-F2531 PolarHBondContact O-N 2.95Å; L2528-V2551 HydrophobicContact CD1-CG1 4.43Å; L2528-F2552 HydrophobicContact CD1-CD1 3.95Å; L2528-F2552 HydrophobicContact CD1-CE1 3.92Å; L2528-L2555 HydrophobicContact CB-CD1 4.13Å; L2528-L2555 HydrophobicContact CB-CD2 4.36Å; L2528-L2555 HydrophobicContact CB-CG 4.49Å; L2528-L2555 HydrophobicContact CD1-CD1 4.33Å; L2528-L2555 WeakPolarHBondContact O-CD2 3.44Å |
| 2529 | Q | 86.3 | Confident | 89.8 | Confident | 77 Ų | 77 | 42.7 Ų | 42.7 | 36% | 0.36 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -24.6 | -174.1 | -173.3 | -175.5 | 36.6 | 0 | 0 | 113.9 | N2526 V2527 F2531 Q2532 H2553 | N2526-Q2529 HydrophobicContact CB-CB 4.46Å; N2526-Q2529 WeakPolarHBondContact O-CB 3.32Å; N2526-Q2529 PolarHBondContact O-N 2.9Å; N2526-Q2529 PolarHBondContact OD1-OE1 3.05Å; V2527-Q2529 VanDerWaalsContact C-N 3.3Å; V2527-Q2529 PolarHBondContact O-N 3.27Å; Q2529-F2531 PolarHBondContact O-N 3.21Å; Q2529-Q2532 WeakPolarHBondContact O-CG 3.46Å; Q2529-H2553 WeakPolarHBondContact CG-O 3.2Å |
| 2530 | Q | 84.8 | Confident | 89.7 | Confident | 50.6667 Ų | 50.6667 | 39.3 Ų | 39.3 | 24% | 0.237 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -16.2 | 175.8 | 72 | -172.7 | -67.9 | 0 | 0 | 113.8 | D2500 F2504 V2527 L2528 Q2532 | D2500-Q2530 PolarHBondContact O-NE2 3.12Å; D2500-Q2530 VanDerWaalsContact O-NE2 3.09Å; F2504-Q2530 HydrophobicContact CB-CG 4.33Å; F2504-Q2530 PolarHBondContact O-NE2 3.05Å; F2504-Q2530 PolarHBondContact O-OE1 3.06Å; V2527-Q2530 WeakPolarHBondContact O-CG 3.44Å; V2527-Q2530 PolarHBondContact O-NE2 2.94Å; L2528-Q2530 PolarHBondContact O-N 3.22Å; Q2530-Q2532 VanDerWaalsContact C-N 3.34Å; Q2530-Q2532 PolarHBondContact O-N 3.35Å; Q2530-Q2532 VanDerWaalsContact O-N 3.12Å |
| 2531 | F | 89.7 | Confident | 89.7 | Confident | 1.33333 Ų | 1.33333 | 41.4 Ų | 41.4 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | trans | -97.4 | 59 | -175.4 | -48.9 | -57.1 | 0 | 0 | 0 | 113 | F2504 M2510 L2513 L2528 Q2529 H2533 L2534 L2555 | F2504-F2531 HydrophobicContact CB-CE1 4.03Å; F2504-F2531 HydrophobicContact CB-CZ 3.95Å; F2504-F2531 AromaticContact CD1-CE1 3.78Å; F2504-F2531 HydrophobicContact CD1-CE1 3.78Å; F2504-F2531 HydrophobicContact CD1-CZ 4.24Å; F2504-F2531 AromaticContact CD2-CE1 3.67Å; F2504-F2531 HydrophobicContact CD2-CE1 3.67Å; F2504-F2531 HydrophobicContact CD2-CE2 4.43Å; F2504-F2531 AromaticContact CD2-CZ 3.72Å; F2504-F2531 HydrophobicContact CD2-CZ 3.72Å; F2504-F2531 VanDerWaalsContact CD2-CZ 3.45Å; F2504-F2531 HydrophobicContact CE1-CE1 4.23Å; F2504-F2531 HydrophobicContact CE1-CZ 4.46Å; F2504-F2531 HydrophobicContact CE2-CE1 4.14Å; F2504-F2531 AromaticContact CE2-CZ 3.66Å; F2504-F2531 HydrophobicContact CE2-CZ 4.2Å; F2504-F2531 AromaticContact CG-CE1 3.47Å; F2504-F2531 HydrophobicContact CG-CE1 4.12Å; F2504-F2531 VanDerWaalsContact CG-CE1 3.47Å; F2504-F2531 AromaticContact CG-CZ 3.73Å; F2504-F2531 HydrophobicContact CG-CZ 3.73Å; F2504-F2531 HydrophobicContact CZ-CE1 4.39Å; F2504-F2531 HydrophobicContact CZ-CZ 4.17Å; M2510-F2531 HydrophobicContact CB-CB 4.36Å; M2510-F2531 HydrophobicContact CB-CD1 3.44Å; M2510-F2531 HydrophobicContact CB-CE1 3.93Å; M2510-F2531 HydrophobicContact CB-CG 4.08Å; M2510-F2531 HydrophobicContact CE-CD1 4.29Å; M2510-F2531 HydrophobicContact CE-CE1 4.02Å; M2510-F2531 HydrophobicContact CE-CZ 4.39Å; M2510-F2531 HydrophobicContact CG-CD1 4.03Å; M2510-F2531 HydrophobicContact CG-CE1 4.08Å; M2510-F2531 HydrophobicContact CG-CG 4.11Å; M2510-F2531 HydrophobicContact CG-CZ 4.36Å; M2510-F2531 HydrophobicContact SD-CD1 3.74Å; M2510-F2531 HydrophobicContact SD-CE1 3.65Å; L2513-F2531 HydrophobicContact CD2-CD2 4.06Å; L2513-F2531 HydrophobicContact CD2-CE1 4.47Å; L2513-F2531 HydrophobicContact CD2-CE2 4Å; L2513-F2531 HydrophobicContact CD2-CZ 3.85Å; L2528-F2531 HydrophobicContact CB-CD2 4.4Å; L2528-F2531 HydrophobicContact CD2-CD2 4.13Å; L2528-F2531 HydrophobicContact CD2-CE2 3.98Å; L2528-F2531 WeakPolarHBondContact O-CB 3.37Å; L2528-F2531 VanDerWaalsContact O-CD2 3.27Å; L2528-F2531 WeakPolarHBondContact O-CD2 3.27Å; L2528-F2531 PolarHBondContact O-N 2.95Å; Q2529-F2531 PolarHBondContact O-N 3.21Å; F2531-H2533 PolarHBondContact O-N 3.06Å; F2531-L2534 HydrophobicContact CB-CB 3.87Å; F2531-L2534 HydrophobicContact CB-CD1 4.27Å; F2531-L2534 HydrophobicContact CB-CD2 4.26Å; F2531-L2534 HydrophobicContact CB-CG 4.37Å; F2531-L2534 HydrophobicContact CD2-CD2 4.39Å; F2531-L2534 VanDerWaalsContact O-CB 3.3Å; F2531-L2534 WeakPolarHBondContact O-CB 3.25Å; F2531-L2534 PolarHBondContact O-N 3.03Å; F2531-L2555 HydrophobicContact CB-CD2 4.21Å; F2531-L2555 VanDerWaalsContact O-CD2 3.3Å; F2531-L2555 WeakPolarHBondContact O-CD2 3.33Å | ||
| 2532 | Q | 88.7 | Confident | 89.9 | Confident | 109.333 Ų | 109.333 | 37.1 Ų | 37.1 | 51% | 0.511 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -10.1 | 179.8 | -63.8 | 179 | -21.7 | 0 | 0 | 115.2 | Q2529 Q2530 R2557 | Q2529-Q2532 WeakPolarHBondContact O-CG 3.46Å; Q2530-Q2532 VanDerWaalsContact C-N 3.34Å; Q2530-Q2532 PolarHBondContact O-N 3.35Å; Q2530-Q2532 VanDerWaalsContact O-N 3.12Å; Q2532-R2557 PolarHBondContact O-NH1 3.17Å |
| 2533 | H | 91.8 | Very high | 90.1 | Very high | 49.6667 Ų | 49.6667 | 36.2 Ų | 36.2 | 23% | 0.23 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | 7.6 | 178.5 | -64.8 | 96.8 | 0 | 0 | 0 | 113.7 | P2508 M2510 R2511 F2531 E2535 R2557 | P2508-H2533 PolarHBondContact O-ND1 3.27Å; M2510-H2533 CarbonylContact O-C 3.57Å; M2510-H2533 WeakPolarHBondContact O-CB 3.3Å; M2510-H2533 VanDerWaalsContact O-O 3.13Å; R2511-H2533 WeakPolarHBondContact CA-O 3.46Å; R2511-H2533 HydrophobicContact CG-CB 3.98Å; R2511-H2533 WeakPolarHBondContact CG-O 3.37Å; F2531-H2533 PolarHBondContact O-N 3.06Å; H2533-E2535 PolarHBondContact O-N 2.92Å; H2533-R2557 VanDerWaalsContact CD2-CZ 3.42Å; H2533-R2557 PolarHBondContact CD2-NH1 3.04Å; H2533-R2557 PolarHBondContact NE2-NH1 3.04Å |
| 2534 | L | 93.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -64.2 | 125.3 | -179.4 | -160.2 | 66.2 | 0 | 0 | 0 | 110.6 | M2510 R2511 L2513 F2531 I2536 A2537 L2555 R2557 L2558 | M2510-L2534 HydrophobicContact CG-CD1 4.2Å; M2510-L2534 WeakPolarHBondContact O-CA 3.18Å; M2510-L2534 PolarHBondContact O-N 3.12Å; M2510-L2534 VanDerWaalsContact O-N 3.11Å; R2511-L2534 WeakPolarHBondContact O-CD1 3.38Å; L2513-L2534 HydrophobicContact CB-CD1 3.83Å; L2513-L2534 HydrophobicContact CB-CD2 4.48Å; L2513-L2534 HydrophobicContact CD2-CD2 4.48Å; F2531-L2534 HydrophobicContact CB-CB 3.87Å; F2531-L2534 HydrophobicContact CB-CD1 4.27Å; F2531-L2534 HydrophobicContact CB-CD2 4.26Å; F2531-L2534 HydrophobicContact CB-CG 4.37Å; F2531-L2534 HydrophobicContact CD2-CD2 4.39Å; F2531-L2534 VanDerWaalsContact O-CB 3.3Å; F2531-L2534 WeakPolarHBondContact O-CB 3.25Å; F2531-L2534 PolarHBondContact O-N 3.03Å; L2534-I2536 WeakPolarHBondContact CD1-O 3.41Å; L2534-A2537 HydrophobicContact CD2-CB 4.02Å; L2534-L2555 HydrophobicContact CB-CD2 4.22Å; L2534-L2555 HydrophobicContact CD2-CD1 4.31Å; L2534-L2555 HydrophobicContact CD2-CD2 4.24Å; L2534-R2557 CarbonylContact O-C 3.54Å; L2534-L2558 HydrophobicContact CD2-CD1 4.19Å; L2534-L2558 HydrophobicContact CG-CD1 4.15Å; L2534-L2558 VanDerWaalsContact O-CA 3.27Å; L2534-L2558 WeakPolarHBondContact O-CA 3.34Å; L2534-L2558 PolarHBondContact O-N 3.2Å; L2534-L2558 VanDerWaalsContact O-N 3.09Å | ||
| 2535 | E | 92.1 | Very high | 90.8 | Very high | 24.6667 Ų | 24.6667 | 32.4 Ų | 32.4 | 12% | 0.115 | 17% | 0.169 | C | C | . | . | trans | -106.2 | -33.8 | 178.1 | -73.6 | 167.3 | -155.4 | 0 | 0 | 111.7 | P1945 R2082 R2511 Y2512 H2533 R2557 L2559 Q2560 | P1945-E2535 WeakPolarHBondContact CB-OE2 3.24Å; R2082-E2535 VanDerWaalsContact CZ-CD 3.45Å; R2082-E2535 IonicContact CZ-OE1 3.89Å; R2082-E2535 VanDerWaalsContact CZ-OE1 3.31Å; R2082-E2535 IonicContact CZ-OE2 3.75Å; R2082-E2535 IonicContact NH1-OE1 2.71Å; R2082-E2535 PolarHBondContact NH1-OE1 2.8Å; R2082-E2535 IonicContact NH1-OE2 2.65Å; R2082-E2535 PolarHBondContact NH1-OE2 3Å; R2082-E2535 IonicContact NH2-OE1 3.72Å; R2082-E2535 PolarHBondContact NH2-OE1 3.33Å; R2082-E2535 IonicContact NH2-OE2 2.65Å; R2082-E2535 PolarHBondContact NH2-OE2 3.14Å; R2511-E2535 HydrophobicContact CB-CB 4.38Å; R2511-E2535 HydrophobicContact CB-CG 4.42Å; R2511-E2535 VanDerWaalsContact CD-OE1 3.32Å; R2511-E2535 WeakPolarHBondContact CD-OE1 3.47Å; R2511-E2535 HydrophobicContact CG-CG 4.36Å; R2511-E2535 IonicContact CZ-OE1 3.59Å; R2511-E2535 VanDerWaalsContact CZ-OE1 3.28Å; R2511-E2535 IonicContact NE-OE1 3.35Å; R2511-E2535 PolarHBondContact NE-OE1 2.94Å; R2511-E2535 IonicContact NH1-OE1 2.93Å; R2511-E2535 PolarHBondContact NH1-OE1 3.13Å; R2511-E2535 IonicContact NH1-OE2 3.65Å; R2511-E2535 PolarHBondContact O-N 3.35Å; Y2512-E2535 HydrophobicContact CE1-CB 4.05Å; Y2512-E2535 WeakPolarHBondContact CE1-OE2 3.31Å; Y2512-E2535 PolarHBondContact OH-OE2 3.06Å; H2533-E2535 PolarHBondContact O-N 2.92Å; E2535-R2557 WeakPolarHBondContact CA-O 3.39Å; E2535-R2557 HydrophobicContact CG-CB 4.26Å; E2535-R2557 VanDerWaalsContact CG-O 3.24Å; E2535-R2557 WeakPolarHBondContact CG-O 3.33Å; E2535-L2559 HydrophobicContact CB-CG 4.48Å; E2535-L2559 HydrophobicContact CG-CD1 4.23Å; E2535-L2559 HydrophobicContact CG-CG 4.31Å; E2535-L2559 PolarHBondContact O-N 2.88Å; E2535-Q2560 PolarHBondContact O-N 3.01Å; E2535-Q2560 VanDerWaalsContact O-N 3.13Å | ||
| 2536 | I | 91.8 | Very high | 91.3 | Very high | 26.3333 Ų | 26.3333 | 34.9 Ų | 34.9 | 14% | 0.135 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 130.3 | 179.1 | -52.4 | -179 | 0 | 0 | 0 | 109.6 | I1849 R2511 Y2512 L2513 L2534 Q2560 | I1849-I2536 HydrophobicContact CD1-CD1 3.55Å; I1849-I2536 HydrophobicContact CG1-CD1 3.65Å; R2511-I2536 PolarHBondContact O-N 3.14Å; Y2512-I2536 WeakPolarHBondContact CA-O 3.31Å; Y2512-I2536 HydrophobicContact CD1-CB 3.94Å; Y2512-I2536 HydrophobicContact CD1-CD1 3.81Å; Y2512-I2536 HydrophobicContact CD1-CG1 3.87Å; Y2512-I2536 HydrophobicContact CE1-CB 4.32Å; Y2512-I2536 HydrophobicContact CE1-CD1 3.78Å; Y2512-I2536 HydrophobicContact CE1-CG1 4.02Å; L2513-I2536 PolarHBondContact N-O 3.09Å; L2513-I2536 VanDerWaalsContact N-O 3.13Å; L2534-I2536 WeakPolarHBondContact CD1-O 3.41Å; I2536-Q2560 WeakPolarHBondContact CA-O 3.3Å; I2536-Q2560 HydrophobicContact CB-CB 4.48Å; I2536-Q2560 HydrophobicContact CD1-CG 4.37Å; I2536-Q2560 VanDerWaalsContact CD1-OE1 3.3Å; I2536-Q2560 HydrophobicContact CG1-CB 4.17Å; I2536-Q2560 HydrophobicContact CG1-CG 4.3Å; I2536-Q2560 HydrophobicContact CG2-CB 4.18Å |
| 2537 | A | 94.2 | Very high | 92 | Very high | 2.33333 Ų | 2.33333 | 30.4 Ų | 30.4 | 2% | 0.019 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 120.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110 | L2513 L2534 L2558 Q2560 L2561 N2562 | L2513-A2537 WeakPolarHBondContact O-CA 3.3Å; L2534-A2537 HydrophobicContact CD2-CB 4.02Å; A2537-L2558 HydrophobicContact CB-CD1 3.93Å; A2537-Q2560 PolarHBondContact N-O 3.01Å; A2537-Q2560 VanDerWaalsContact N-O 3.09Å; A2537-L2561 HydrophobicContact CB-CD1 4.16Å; A2537-N2562 PolarHBondContact O-N 3.09Å |
| 2538 | D | 94.3 | Very high | 92.2 | Very high | 15 Ų | 15 | 31.9 Ų | 31.9 | 8% | 0.08 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 120.5 | 168.7 | -154.3 | -41.5 | 0 | 0 | 0 | 110.6 | L2513 F2514 L2515 S2540 N2562 | L2513-D2538 PolarHBondContact O-N 3.15Å; F2514-D2538 HydrophobicContact CD1-CB 3.88Å; F2514-D2538 HydrophobicContact CE1-CB 4.41Å; L2515-D2538 CarbonylContact C-O 3.46Å; L2515-D2538 WeakPolarHBondContact CA-O 3.35Å; L2515-D2538 WeakPolarHBondContact CB-O 3.24Å; L2515-D2538 PolarHBondContact N-O 3Å; D2538-S2540 VanDerWaalsContact OD1-CB 3.26Å; D2538-S2540 WeakPolarHBondContact OD1-CB 3.27Å; D2538-S2540 PolarHBondContact OD1-N 3.08Å; D2538-S2540 PolarHBondContact OD1-OG 2.98Å; D2538-N2562 HydrophobicContact CB-CB 4.4Å; D2538-N2562 VanDerWaalsContact CG-ND2 3.34Å; D2538-N2562 PolarHBondContact OD1-ND2 2.94Å; D2538-N2562 WeakPolarHBondContact OD2-CB 3.44Å; D2538-N2562 PolarHBondContact OD2-ND2 3.14Å |
| 2539 | L | 96 | Very high | 92.2 | Very high | 5.33333 Ų | 5.33333 | 34.7 Ų | 34.7 | 3% | 0.028 | 19% | 0.185 | C | C | . | . | trans | -129.4 | 17 | -178.8 | -71.3 | 157.3 | 0 | 0 | 0 | 110.4 | L2515 L2520 I2523 N2542 I2544 F2552 L2561 N2562 L2563 N2566 | L2515-L2539 HydrophobicContact CB-CD2 3.94Å; L2515-L2539 HydrophobicContact CD1-CD2 3.95Å; L2520-L2539 HydrophobicContact CD1-CD2 3.92Å; I2523-L2539 HydrophobicContact CD1-CD1 3.75Å; I2523-L2539 HydrophobicContact CD1-CD2 4.01Å; I2523-L2539 HydrophobicContact CD1-CG 4.39Å; L2539-N2542 PolarHBondContact O-ND2 2.94Å; L2539-I2544 HydrophobicContact CB-CD1 4.33Å; L2539-F2552 HydrophobicContact CD1-CE1 4.34Å; L2539-L2561 HydrophobicContact CD1-CD1 4.12Å; L2539-N2562 CarbonylContact C-O 3.44Å; L2539-N2562 WeakPolarHBondContact CA-O 3.27Å; L2539-N2562 PolarHBondContact N-O 3.2Å; L2539-L2563 HydrophobicContact CB-CD2 3.81Å; L2539-L2563 HydrophobicContact CD1-CD2 4.24Å; L2539-N2566 PolarHBondContact O-ND2 3.24Å | ||
| 2540 | S | 94.7 | Very high | 92.2 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.014 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | 159.9 | -178.9 | 59.7 | 0 | 0 | 0 | 0 | 113 | D2516 H2517 D2538 N2542 N2562 E2564 | D2516-S2540 CarbonylContact C-O 3.48Å; D2516-S2540 WeakPolarHBondContact CA-O 3.21Å; D2516-S2540 WeakPolarHBondContact CB-OG 3.33Å; H2517-S2540 PolarHBondContact N-O 3.17Å; D2538-S2540 VanDerWaalsContact OD1-CB 3.26Å; D2538-S2540 WeakPolarHBondContact OD1-CB 3.27Å; D2538-S2540 PolarHBondContact OD1-N 3.08Å; D2538-S2540 PolarHBondContact OD1-OG 2.98Å; S2540-N2542 PolarHBondContact O-N 3.02Å; S2540-N2542 VanDerWaalsContact O-N 3.12Å; S2540-N2542 PolarHBondContact O-ND2 3.13Å; S2540-N2562 WeakPolarHBondContact CB-ND2 3.39Å; S2540-N2562 PolarHBondContact N-O 2.89Å; S2540-N2562 PolarHBondContact OG-ND2 3.11Å; S2540-E2564 CarbonylContact C-O 3.52Å; S2540-E2564 WeakPolarHBondContact CA-O 3.37Å; S2540-E2564 WeakPolarHBondContact CB-O 3.22Å |
| 2541 | Y | 95 | Very high | 92.4 | Very high | 50 Ų | 50 | 30.3 Ų | 30.3 | 20% | 0.196 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 36.7 | 178.3 | -59.1 | -84.6 | 0 | 0 | 0 | 114.1 | H2517 E2564 G2565 Q2588 R2702 | H2517-Y2541 WeakPolarHBondContact CA-O 3.16Å; H2517-Y2541 AromaticContact CD2-CG 3.82Å; H2517-Y2541 AromaticContact CE1-CD2 3.65Å; H2517-Y2541 AromaticContact CE1-CG 3.98Å; H2517-Y2541 AromaticContact NE2-CD2 3.49Å; H2517-Y2541 WeakPolarHBondContact NE2-CD2 3.42Å; H2517-Y2541 AromaticContact NE2-CE2 3.99Å; H2517-Y2541 AromaticContact NE2-CG 3.55Å; Y2541-E2564 PolarHBondContact N-O 2.91Å; Y2541-E2564 PolarHBondContact OH-OE1 3.45Å; Y2541-G2565 WeakPolarHBondContact CA-O 3.05Å; Y2541-Q2588 PolarHBondContact OH-NE2 2.92Å; Y2541-R2702 PolarHBondContact O-NH2 2.66Å |
| 2542 | N | 94.8 | Very high | 92.5 | Very high | 1.66667 Ų | 1.66667 | 30.3 Ų | 30.3 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -103.3 | -173.3 | 168.8 | -83.5 | -90 | 0 | 0 | 0 | 110.4 | L2515 N2518 Q2519 L2520 L2539 S2540 I2544 N2566 R2702 | L2515-N2542 PolarHBondContact O-ND2 3.06Å; N2518-N2542 WeakPolarHBondContact CA-OD1 3.33Å; N2518-N2542 WeakPolarHBondContact CB-OD1 3.36Å; N2518-N2542 PolarHBondContact O-OD1 3.02Å; Q2519-N2542 PolarHBondContact N-OD1 3.26Å; L2520-N2542 HydrophobicContact CB-CB 4.22Å; L2520-N2542 VanDerWaalsContact CB-OD1 3.29Å; L2520-N2542 WeakPolarHBondContact CB-OD1 3.32Å; L2520-N2542 WeakPolarHBondContact CG-OD1 3.29Å; L2520-N2542 PolarHBondContact N-OD1 3.12Å; L2539-N2542 PolarHBondContact O-ND2 2.94Å; S2540-N2542 PolarHBondContact O-N 3.02Å; S2540-N2542 VanDerWaalsContact O-N 3.12Å; S2540-N2542 PolarHBondContact O-ND2 3.13Å; N2542-I2544 HydrophobicContact CB-CD1 4.3Å; N2542-I2544 HydrophobicContact CB-CG1 4.24Å; N2542-N2566 VanDerWaalsContact CA-OD1 3.31Å; N2542-N2566 WeakPolarHBondContact CA-OD1 3.11Å; N2542-N2566 WeakPolarHBondContact CB-OD1 3.41Å; N2542-N2566 PolarHBondContact N-OD1 3.11Å; N2542-N2566 WeakPolarHBondContact O-CA 3.15Å; N2542-N2566 PolarHBondContact O-OD1 2.95Å; N2542-N2566 VanDerWaalsContact O-OD1 3.05Å; N2542-R2702 PolarHBondContact O-NH2 3.33Å |
| 2543 | N | 94.8 | Very high | 92.5 | Very high | 57 Ų | 57 | 29.3 Ų | 29.3 | 31% | 0.305 | 17% | 0.168 | S | C | . | . | trans | -106.2 | 25.9 | -177.4 | -62.6 | -29.8 | 0 | 0 | 0 | 112.5 | L2520 N2521 A2545 N2566 V2567 R2702 | L2520-N2543 CarbonylContact O-C 3.43Å; L2520-N2543 VanDerWaalsContact O-C 3.25Å; L2520-N2543 VanDerWaalsContact O-CA 3.3Å; L2520-N2543 WeakPolarHBondContact O-CA 3.32Å; L2520-N2543 PolarHBondContact O-N 2.97Å; N2521-N2543 WeakPolarHBondContact OD1-CB 3.24Å; N2521-N2543 PolarHBondContact OD1-ND2 3.07Å; N2521-N2543 VanDerWaalsContact OD1-ND2 3.12Å; N2543-A2545 PolarHBondContact O-N 3.18Å; N2543-N2566 PolarHBondContact N-OD1 2.99Å; N2543-V2567 WeakPolarHBondContact O-CG2 3.28Å; N2543-R2702 PolarHBondContact OD1-NH2 2.81Å | ||
| 2544 | I | 94.8 | Very high | 92.2 | Very high | 0.666667 Ų | 0.666667 | 27.5 Ų | 27.5 | 0% | 0.003 | 16% | 0.163 | C | C | . | . | trans | -67.6 | 123.6 | -173.7 | -57.6 | 163.5 | 0 | 0 | 0 | 109.4 | L2520 N2521 I2523 L2539 N2542 E2546 I2547 L2563 N2566 V2567 I2568 | L2520-I2544 PolarHBondContact O-N 2.82Å; N2521-I2544 WeakPolarHBondContact O-CA 3.41Å; I2523-I2544 HydrophobicContact CD1-CD1 3.89Å; I2523-I2544 HydrophobicContact CG1-CD1 3.96Å; I2523-I2544 HydrophobicContact CG1-CG1 4.42Å; L2539-I2544 HydrophobicContact CB-CD1 4.33Å; N2542-I2544 HydrophobicContact CB-CD1 4.3Å; N2542-I2544 HydrophobicContact CB-CG1 4.24Å; I2544-E2546 WeakPolarHBondContact CG2-O 3.39Å; I2544-I2547 HydrophobicContact CG2-CD1 3.87Å; I2544-L2563 HydrophobicContact CD1-CD2 4.02Å; I2544-N2566 HydrophobicContact CB-CB 4.29Å; I2544-N2566 VanDerWaalsContact CB-OD1 3.29Å; I2544-N2566 WeakPolarHBondContact CB-OD1 3.25Å; I2544-N2566 WeakPolarHBondContact CD1-OD1 3.04Å; I2544-N2566 VanDerWaalsContact CG1-OD1 3.31Å; I2544-N2566 WeakPolarHBondContact CG1-OD1 3.47Å; I2544-N2566 PolarHBondContact N-OD1 2.86Å; I2544-V2567 CarbonylContact O-C 3.46Å; I2544-V2567 WeakPolarHBondContact O-CA 3.47Å; I2544-V2567 WeakPolarHBondContact O-CG2 3.4Å; I2544-V2567 PolarHBondContact O-N 2.8Å; I2544-I2568 HydrophobicContact CB-CG1 4.42Å; I2544-I2568 HydrophobicContact CG2-CG1 4.26Å; I2544-I2568 WeakPolarHBondContact O-CG1 3.47Å; I2544-I2568 PolarHBondContact O-N 3Å; I2544-I2568 VanDerWaalsContact O-N 3.11Å | ||
| 2545 | A | 92.6 | Very high | 92.1 | Very high | 40.6667 Ų | 40.6667 | 27.6 Ų | 27.6 | 34% | 0.336 | 16% | 0.164 | S | C | . | . | trans | -99 | -26.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | N2543 V2567 I2568 Q2569 | N2543-A2545 PolarHBondContact O-N 3.18Å; A2545-V2567 HydrophobicContact CB-CG2 4.23Å; A2545-I2568 WeakPolarHBondContact O-CA 3.25Å; A2545-Q2569 PolarHBondContact O-N 3.12Å | ||
| 2546 | E | 92.4 | Very high | 92 | Very high | 105.667 Ų | 105.667 | 32.6 Ų | 32.6 | 49% | 0.494 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 151.6 | -179.9 | 57.6 | 173 | -156.8 | 0 | 0 | 110.7 | I2544 T2548 D2570 | I2544-E2546 WeakPolarHBondContact CG2-O 3.39Å; E2546-T2548 HydrophobicContact CG-CG2 4.06Å; E2546-T2548 VanDerWaalsContact OE1-CG2 3.24Å; E2546-T2548 WeakPolarHBondContact OE1-CG2 3.44Å; E2546-D2570 WeakPolarHBondContact CA-O 3.32Å |
| 2547 | I | 94.3 | Very high | 92 | Very high | 4.66667 Ų | 4.66667 | 36.5 Ų | 36.5 | 2% | 0.024 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 101.3 | 169.5 | -55.5 | -93.4 | 0 | 0 | 0 | 108.2 | I2523 I2544 F2552 L2563 I2568 D2570 I2571 A2572 A2575 F2576 L2586 | I2523-I2547 HydrophobicContact CD1-CD1 4.33Å; I2544-I2547 HydrophobicContact CG2-CD1 3.87Å; I2547-F2552 HydrophobicContact CG2-CD2 4.41Å; I2547-F2552 HydrophobicContact CG2-CE2 3.75Å; I2547-F2552 HydrophobicContact CG2-CZ 4.45Å; I2547-L2563 HydrophobicContact CD1-CD1 3.89Å; I2547-L2563 HydrophobicContact CD1-CD2 4.28Å; I2547-L2563 HydrophobicContact CG1-CD1 4.45Å; I2547-I2568 HydrophobicContact CD1-CD1 4.03Å; I2547-I2568 HydrophobicContact CD1-CG1 4.5Å; I2547-I2568 HydrophobicContact CG1-CD1 4.02Å; I2547-I2568 HydrophobicContact CG1-CG1 4.43Å; I2547-I2568 HydrophobicContact CG1-CG2 4.21Å; I2547-D2570 PolarHBondContact N-O 3.08Å; I2547-D2570 VanDerWaalsContact N-O 3.15Å; I2547-I2571 HydrophobicContact CB-CB 4.4Å; I2547-I2571 HydrophobicContact CB-CG1 4.2Å; I2547-I2571 HydrophobicContact CB-CG2 4.2Å; I2547-I2571 HydrophobicContact CD1-CD1 3.93Å; I2547-I2571 HydrophobicContact CD1-CG1 3.85Å; I2547-I2571 HydrophobicContact CD1-CG2 4.33Å; I2547-I2571 HydrophobicContact CG1-CG1 4.13Å; I2547-I2571 HydrophobicContact CG2-CG2 4.39Å; I2547-A2572 VanDerWaalsContact O-CB 3.29Å; I2547-A2572 WeakPolarHBondContact O-CB 3.38Å; I2547-A2572 PolarHBondContact O-N 2.9Å; I2547-A2575 HydrophobicContact CG2-CB 3.92Å; I2547-F2576 HydrophobicContact CD1-CE1 4.25Å; I2547-F2576 HydrophobicContact CD1-CZ 3.74Å; I2547-F2576 HydrophobicContact CG2-CE1 4.41Å; I2547-F2576 HydrophobicContact CG2-CZ 4.48Å; I2547-L2586 HydrophobicContact CD1-CD2 4.34Å |
| 2548 | T | 91.6 | Very high | 92 | Very high | 39.6667 Ų | 39.6667 | 36.4 Ų | 36.4 | 24% | 0.243 | 20% | 0.199 | C | C | . | . | trans | -78.8 | 159.6 | -177.8 | 59.3 | 0 | 0 | 0 | 0 | 112.7 | E2546 G2550 V2551 | E2546-T2548 HydrophobicContact CG-CG2 4.06Å; E2546-T2548 VanDerWaalsContact OE1-CG2 3.24Å; E2546-T2548 WeakPolarHBondContact OE1-CG2 3.44Å; T2548-G2550 PolarHBondContact O-N 2.92Å; T2548-V2551 VanDerWaalsContact O-CG2 3.29Å; T2548-V2551 WeakPolarHBondContact O-CG2 3.34Å; T2548-V2551 WeakPolarHBondContact OG1-CG2 3.39Å | ||
| 2549 | A | 88.2 | Confident | 92 | Very high | 65 Ų | 65 | 38.2 Ų | 38.2 | 54% | 0.537 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | 131.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A2572 | A2549-A2572 HydrophobicContact CB-CB 4.08Š|
| 2550 | G | 84.8 | Confident | 91.8 | Very high | 31.6667 Ų | 31.6667 | 40.1 Ų | 40.1 | 33% | 0.326 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 4.7 | 176 | 0 | 0 | 0 | 0 | 0 | 115.9 | T2548 F2552 H2553 | T2548-G2550 PolarHBondContact O-N 2.92Å; G2550-F2552 PolarHBondContact O-N 3.24Å; G2550-H2553 WeakPolarHBondContact O-CB 3.32Å; G2550-H2553 PolarHBondContact O-N 3.37Å; G2550-H2553 VanDerWaalsContact O-N 3.14Å |
| 2551 | V | 89.9 | Confident | 91.9 | Very high | 4.33333 Ų | 4.33333 | 40.1 Ų | 40.1 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -39.9 | 174.6 | 166.9 | 0 | 0 | 0 | 0 | 112.5 | I2523 P2525 L2528 T2548 | I2523-V2551 HydrophobicContact CB-CG1 3.75Å; I2523-V2551 HydrophobicContact CD1-CG1 4.19Å; I2523-V2551 HydrophobicContact CG1-CG1 4.49Å; I2523-V2551 HydrophobicContact CG2-CG1 3.57Å; P2525-V2551 HydrophobicContact CG-CG2 4.34Å; L2528-V2551 HydrophobicContact CD1-CG1 4.43Å; T2548-V2551 VanDerWaalsContact O-CG2 3.29Å; T2548-V2551 WeakPolarHBondContact O-CG2 3.34Å; T2548-V2551 WeakPolarHBondContact OG1-CG2 3.39Å |
| 2552 | F | 91.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 12.1 | -179 | -54.5 | -66.5 | 0 | 0 | 0 | 113.8 | I2523 L2528 L2539 I2547 G2550 G2554 L2555 L2558 L2561 L2563 F2576 T2579 | I2523-F2552 HydrophobicContact CD1-CE1 4.26Å; I2523-F2552 HydrophobicContact CD1-CZ 4.1Å; L2528-F2552 HydrophobicContact CD1-CD1 3.95Å; L2528-F2552 HydrophobicContact CD1-CE1 3.92Å; L2539-F2552 HydrophobicContact CD1-CE1 4.34Å; I2547-F2552 HydrophobicContact CG2-CD2 4.41Å; I2547-F2552 HydrophobicContact CG2-CE2 3.75Å; I2547-F2552 HydrophobicContact CG2-CZ 4.45Å; G2550-F2552 PolarHBondContact O-N 3.24Å; F2552-G2554 PolarHBondContact O-N 3.35Å; F2552-L2555 HydrophobicContact CB-CD1 4.02Å; F2552-L2555 HydrophobicContact CD1-CD1 3.88Å; F2552-L2555 HydrophobicContact CG-CD1 4.46Å; F2552-L2555 WeakPolarHBondContact O-CB 3.35Å; F2552-L2555 WeakPolarHBondContact O-CG 3.22Å; F2552-L2555 PolarHBondContact O-N 2.93Å; F2552-L2558 HydrophobicContact CD1-CD2 4.49Å; F2552-L2561 HydrophobicContact CD1-CD2 4.4Å; F2552-L2561 HydrophobicContact CD2-CD2 4.35Å; F2552-L2561 HydrophobicContact CE1-CD1 4.04Å; F2552-L2561 HydrophobicContact CE1-CD2 3.95Å; F2552-L2561 HydrophobicContact CE2-CD2 3.85Å; F2552-L2561 HydrophobicContact CZ-CD1 4.21Å; F2552-L2561 HydrophobicContact CZ-CD2 3.64Å; F2552-L2563 HydrophobicContact CZ-CD1 4.23Å; F2552-F2576 AromaticContact CD2-CD1 3.85Å; F2552-F2576 HydrophobicContact CD2-CD1 3.85Å; F2552-F2576 AromaticContact CD2-CE1 3.98Å; F2552-F2576 HydrophobicContact CD2-CE1 4.1Å; F2552-F2576 AromaticContact CE2-CD1 3.95Å; F2552-F2576 HydrophobicContact CE2-CD1 4Å; F2552-F2576 AromaticContact CE2-CE1 3.75Å; F2552-F2576 HydrophobicContact CE2-CE1 3.75Å; F2552-T2579 HydrophobicContact CB-CG2 3.72Å; F2552-T2579 WeakPolarHBondContact O-CG2 3.45Å |
| 2553 | H | 88.5 | Confident | 91.9 | Very high | 88.3333 Ų | 88.3333 | 38.5 Ų | 38.5 | 41% | 0.409 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | 132.6 | -179.6 | -176.5 | -149.9 | 0 | 0 | 0 | 111.4 | Q2529 G2550 L2555 Q2578 | Q2529-H2553 WeakPolarHBondContact CG-O 3.2Å; G2550-H2553 WeakPolarHBondContact O-CB 3.32Å; G2550-H2553 PolarHBondContact O-N 3.37Å; G2550-H2553 VanDerWaalsContact O-N 3.14Å; H2553-L2555 VanDerWaalsContact C-N 3.34Å; H2553-Q2578 PolarHBondContact CD2-OE1 3.1Å; H2553-Q2578 VanDerWaalsContact CD2-OE1 3.26Å; H2553-Q2578 PolarHBondContact NE2-NE2 3.03Å; H2553-Q2578 PolarHBondContact NE2-OE1 3.27Å |
| 2554 | G | 85.7 | Confident | 91.8 | Very high | 12.3333 Ų | 12.3333 | 37.3 Ų | 37.3 | 13% | 0.127 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | -2.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | F2552 E2556 | F2552-G2554 PolarHBondContact O-N 3.35Å; G2554-E2556 PolarHBondContact O-N 3.17Å; G2554-E2556 VanDerWaalsContact O-N 3.08Å |
| 2555 | L | 92 | Very high | 91.8 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | trans | -83.5 | 57.6 | 174 | -58.4 | -178.1 | 0 | 0 | 0 | 111.6 | L2528 F2531 L2534 F2552 H2553 R2557 L2558 T2579 | L2528-L2555 HydrophobicContact CB-CD1 4.13Å; L2528-L2555 HydrophobicContact CB-CD2 4.36Å; L2528-L2555 HydrophobicContact CB-CG 4.49Å; L2528-L2555 HydrophobicContact CD1-CD1 4.33Å; L2528-L2555 WeakPolarHBondContact O-CD2 3.44Å; F2531-L2555 HydrophobicContact CB-CD2 4.21Å; F2531-L2555 VanDerWaalsContact O-CD2 3.3Å; F2531-L2555 WeakPolarHBondContact O-CD2 3.33Å; L2534-L2555 HydrophobicContact CB-CD2 4.22Å; L2534-L2555 HydrophobicContact CD2-CD1 4.31Å; L2534-L2555 HydrophobicContact CD2-CD2 4.24Å; F2552-L2555 HydrophobicContact CB-CD1 4.02Å; F2552-L2555 HydrophobicContact CD1-CD1 3.88Å; F2552-L2555 HydrophobicContact CG-CD1 4.46Å; F2552-L2555 WeakPolarHBondContact O-CB 3.35Å; F2552-L2555 WeakPolarHBondContact O-CG 3.22Å; F2552-L2555 PolarHBondContact O-N 2.93Å; H2553-L2555 VanDerWaalsContact C-N 3.34Å; L2555-R2557 PolarHBondContact O-N 2.88Å; L2555-L2558 HydrophobicContact CB-CB 4.02Å; L2555-L2558 HydrophobicContact CD1-CD2 4.02Å; L2555-L2558 PolarHBondContact O-N 3.05Å; L2555-L2558 VanDerWaalsContact O-N 3.07Å; L2555-T2579 HydrophobicContact CB-CG2 4.43Å | ||
| 2556 | E | 89.7 | Confident | 91.9 | Very high | 130.667 Ų | 130.667 | 35.5 Ų | 35.5 | 61% | 0.611 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -1.9 | -174.3 | -63.6 | 178.9 | -168.3 | 0 | 0 | 115.3 | G2554 P2580 | G2554-E2556 PolarHBondContact O-N 3.17Å; G2554-E2556 VanDerWaalsContact O-N 3.08Å; E2556-P2580 WeakPolarHBondContact O-CG 3.27Å |
| 2557 | R | 92.5 | Very high | 91.9 | Very high | 107 Ų | 107 | 32.5 Ų | 32.5 | 40% | 0.404 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.2 | 3.8 | 179.2 | -65.4 | -165.3 | -179.8 | 109.1 | 1.7 | 114.6 | Q2532 H2533 L2534 E2535 L2555 L2559 | Q2532-R2557 PolarHBondContact O-NH1 3.17Å; H2533-R2557 VanDerWaalsContact CD2-CZ 3.42Å; H2533-R2557 PolarHBondContact CD2-NH1 3.04Å; H2533-R2557 PolarHBondContact NE2-NH1 3.04Å; L2534-R2557 CarbonylContact O-C 3.54Å; E2535-R2557 WeakPolarHBondContact CA-O 3.39Å; E2535-R2557 HydrophobicContact CG-CB 4.26Å; E2535-R2557 VanDerWaalsContact CG-O 3.24Å; E2535-R2557 WeakPolarHBondContact CG-O 3.33Å; L2555-R2557 PolarHBondContact O-N 2.88Å; R2557-L2559 WeakPolarHBondContact O-CG 3.4Å; R2557-L2559 PolarHBondContact O-N 2.96Å; R2557-L2559 VanDerWaalsContact O-N 3.11Å |
| 2558 | L | 94.2 | Very high | 92 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -68.1 | 112.7 | -176.3 | -169.9 | 70.9 | 0 | 0 | 0 | 110.4 | L2534 A2537 F2552 L2555 Q2560 L2561 T2579 P2580 L2581 | L2534-L2558 HydrophobicContact CD2-CD1 4.19Å; L2534-L2558 HydrophobicContact CG-CD1 4.15Å; L2534-L2558 VanDerWaalsContact O-CA 3.27Å; L2534-L2558 WeakPolarHBondContact O-CA 3.34Å; L2534-L2558 PolarHBondContact O-N 3.2Å; L2534-L2558 VanDerWaalsContact O-N 3.09Å; A2537-L2558 HydrophobicContact CB-CD1 3.93Å; F2552-L2558 HydrophobicContact CD1-CD2 4.49Å; L2555-L2558 HydrophobicContact CB-CB 4.02Å; L2555-L2558 HydrophobicContact CD1-CD2 4.02Å; L2555-L2558 PolarHBondContact O-N 3.05Å; L2555-L2558 VanDerWaalsContact O-N 3.07Å; L2558-Q2560 WeakPolarHBondContact CD1-O 3.08Å; L2558-L2561 HydrophobicContact CD2-CB 4.27Å; L2558-L2561 HydrophobicContact CD2-CD2 4.42Å; L2558-T2579 HydrophobicContact CD2-CG2 4.5Å; L2558-P2580 CarbonylContact O-C 3.32Å; L2558-P2580 VanDerWaalsContact O-C 3.28Å; L2558-P2580 WeakPolarHBondContact O-CD 3.34Å; L2558-P2580 WeakPolarHBondContact O-CG 3.32Å; L2558-L2581 HydrophobicContact CB-CD2 4.43Å; L2558-L2581 HydrophobicContact CD2-CD2 3.95Å; L2558-L2581 HydrophobicContact CG-CD2 3.79Å; L2558-L2581 WeakPolarHBondContact O-CA 3.23Å; L2558-L2581 PolarHBondContact O-N 3.23Å | ||
| 2559 | L | 93.3 | Very high | 92 | Very high | 52.6667 Ų | 52.6667 | 36.4 Ų | 36.4 | 28% | 0.276 | 19% | 0.194 | S | C | . | . | trans | -99.6 | -30.2 | -178.7 | -57.2 | -178.1 | 0 | 0 | 0 | 112 | P1945 E2535 R2557 P2580 L2582 L2583 | P1945-L2559 HydrophobicContact CB-CD1 3.59Å; P1945-L2559 HydrophobicContact CG-CD1 3.64Å; E2535-L2559 HydrophobicContact CB-CG 4.48Å; E2535-L2559 HydrophobicContact CG-CD1 4.23Å; E2535-L2559 HydrophobicContact CG-CG 4.31Å; E2535-L2559 PolarHBondContact O-N 2.88Å; R2557-L2559 WeakPolarHBondContact O-CG 3.4Å; R2557-L2559 PolarHBondContact O-N 2.96Å; R2557-L2559 VanDerWaalsContact O-N 3.11Å; L2559-P2580 HydrophobicContact CD2-CB 4.42Å; L2559-P2580 HydrophobicContact CD2-CG 4.33Å; L2559-P2580 WeakPolarHBondContact CD2-O 3.45Å; L2559-L2582 HydrophobicContact CB-CD1 4.38Å; L2559-L2582 HydrophobicContact CB-CG 4.41Å; L2559-L2582 HydrophobicContact CD2-CD1 4.18Å; L2559-L2582 HydrophobicContact CD2-CG 4.27Å; L2559-L2582 PolarHBondContact O-N 3.08Å; L2559-L2583 PolarHBondContact O-N 3.16Å; L2559-L2583 VanDerWaalsContact O-N 3.1Å | ||
| 2560 | Q | 93.3 | Very high | 92.1 | Very high | 47 Ų | 47 | 38 Ų | 38 | 22% | 0.22 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 131.5 | -177.3 | -53.7 | -176.4 | -5.7 | 0 | 0 | 110.7 | E1844 E2535 I2536 A2537 L2558 L2583 | E1844-Q2560 PolarHBondContact OE2-NE2 3.16Å; E1844-Q2560 VanDerWaalsContact OE2-NE2 3.11Å; E2535-Q2560 PolarHBondContact O-N 3.01Å; E2535-Q2560 VanDerWaalsContact O-N 3.13Å; I2536-Q2560 WeakPolarHBondContact CA-O 3.3Å; I2536-Q2560 HydrophobicContact CB-CB 4.48Å; I2536-Q2560 HydrophobicContact CD1-CG 4.37Å; I2536-Q2560 VanDerWaalsContact CD1-OE1 3.3Å; I2536-Q2560 HydrophobicContact CG1-CB 4.17Å; I2536-Q2560 HydrophobicContact CG1-CG 4.3Å; I2536-Q2560 HydrophobicContact CG2-CB 4.18Å; A2537-Q2560 PolarHBondContact N-O 3.01Å; A2537-Q2560 VanDerWaalsContact N-O 3.09Å; L2558-Q2560 WeakPolarHBondContact CD1-O 3.08Å; Q2560-L2583 WeakPolarHBondContact CA-O 3.33Å; Q2560-L2583 HydrophobicContact CB-CB 4.4Å; Q2560-L2583 HydrophobicContact CB-CD2 4.46Å; Q2560-L2583 HydrophobicContact CG-CB 4.17Å; Q2560-L2583 HydrophobicContact CG-CD2 4.34Å |
| 2561 | L | 95.5 | Very high | 92.5 | Very high | 1.66667 Ų | 1.66667 | 36.6 Ų | 36.6 | 1% | 0.009 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 117.8 | 175.5 | 175.8 | 58.5 | 0 | 0 | 0 | 109.6 | A2537 L2539 F2552 L2558 L2563 F2576 L2581 L2583 L2584 L2585 | A2537-L2561 HydrophobicContact CB-CD1 4.16Å; L2539-L2561 HydrophobicContact CD1-CD1 4.12Å; F2552-L2561 HydrophobicContact CD1-CD2 4.4Å; F2552-L2561 HydrophobicContact CD2-CD2 4.35Å; F2552-L2561 HydrophobicContact CE1-CD1 4.04Å; F2552-L2561 HydrophobicContact CE1-CD2 3.95Å; F2552-L2561 HydrophobicContact CE2-CD2 3.85Å; F2552-L2561 HydrophobicContact CZ-CD1 4.21Å; F2552-L2561 HydrophobicContact CZ-CD2 3.64Å; L2558-L2561 HydrophobicContact CD2-CB 4.27Å; L2558-L2561 HydrophobicContact CD2-CD2 4.42Å; L2561-L2563 HydrophobicContact CD1-CD1 4.32Å; L2561-L2563 HydrophobicContact CD1-CG 4.1Å; L2561-L2563 HydrophobicContact CD2-CD1 3.9Å; L2561-L2563 HydrophobicContact CG-CD1 3.98Å; L2561-L2563 HydrophobicContact CG-CG 4.09Å; L2561-F2576 HydrophobicContact CD2-CD1 4.16Å; L2561-F2576 HydrophobicContact CD2-CE1 3.8Å; L2561-L2581 HydrophobicContact CB-CD1 4.24Å; L2561-L2581 HydrophobicContact CB-CD2 3.72Å; L2561-L2581 HydrophobicContact CD2-CD1 4.2Å; L2561-L2583 PolarHBondContact N-O 3.27Å; L2561-L2583 VanDerWaalsContact N-O 3.11Å; L2561-L2584 HydrophobicContact CB-CD1 4.13Å; L2561-L2584 HydrophobicContact CD2-CD1 4Å; L2561-L2584 HydrophobicContact CG-CD1 4.05Å; L2561-L2585 PolarHBondContact O-N 3.04Å |
| 2562 | N | 94.8 | Very high | 92.7 | Very high | 17 Ų | 17 | 37.3 Ų | 37.3 | 9% | 0.091 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 120.5 | 174.6 | -173.5 | 9.5 | 0 | 0 | 0 | 110.6 | A2537 D2538 L2539 S2540 E2564 L2585 | A2537-N2562 PolarHBondContact O-N 3.09Å; D2538-N2562 HydrophobicContact CB-CB 4.4Å; D2538-N2562 VanDerWaalsContact CG-ND2 3.34Å; D2538-N2562 PolarHBondContact OD1-ND2 2.94Å; D2538-N2562 WeakPolarHBondContact OD2-CB 3.44Å; D2538-N2562 PolarHBondContact OD2-ND2 3.14Å; L2539-N2562 CarbonylContact C-O 3.44Å; L2539-N2562 WeakPolarHBondContact CA-O 3.27Å; L2539-N2562 PolarHBondContact N-O 3.2Å; S2540-N2562 WeakPolarHBondContact CB-ND2 3.39Å; S2540-N2562 PolarHBondContact N-O 2.89Å; S2540-N2562 PolarHBondContact OG-ND2 3.11Å; N2562-E2564 VanDerWaalsContact OD1-CB 3.25Å; N2562-E2564 WeakPolarHBondContact OD1-CB 3.32Å; N2562-E2564 PolarHBondContact OD1-N 3.34Å; N2562-E2564 VanDerWaalsContact OD1-N 3.09Å; N2562-L2585 HydrophobicContact CB-CB 4.48Å; N2562-L2585 HydrophobicContact CB-CD1 4.38Å; N2562-L2585 WeakPolarHBondContact OD1-CB 3.34Å |
| 2563 | L | 96.1 | Very high | 92.6 | Very high | 0.333333 Ų | 0.333333 | 40.9 Ų | 40.9 | 0% | 0.002 | 21% | 0.208 | C | C | . | . | trans | -127.6 | 14.5 | 178.4 | -72.2 | 166.3 | 0 | 0 | 0 | 111.5 | L2539 I2544 I2547 F2552 L2561 N2566 I2568 L2584 L2585 L2586 N2589 | L2539-L2563 HydrophobicContact CB-CD2 3.81Å; L2539-L2563 HydrophobicContact CD1-CD2 4.24Å; I2544-L2563 HydrophobicContact CD1-CD2 4.02Å; I2547-L2563 HydrophobicContact CD1-CD1 3.89Å; I2547-L2563 HydrophobicContact CD1-CD2 4.28Å; I2547-L2563 HydrophobicContact CG1-CD1 4.45Å; F2552-L2563 HydrophobicContact CZ-CD1 4.23Å; L2561-L2563 HydrophobicContact CD1-CD1 4.32Å; L2561-L2563 HydrophobicContact CD1-CG 4.1Å; L2561-L2563 HydrophobicContact CD2-CD1 3.9Å; L2561-L2563 HydrophobicContact CG-CD1 3.98Å; L2561-L2563 HydrophobicContact CG-CG 4.09Å; L2563-N2566 PolarHBondContact O-ND2 2.84Å; L2563-I2568 HydrophobicContact CB-CD1 4.05Å; L2563-I2568 HydrophobicContact CD1-CD1 4.29Å; L2563-I2568 HydrophobicContact CD2-CD1 4.43Å; L2563-I2568 HydrophobicContact CG-CD1 4.47Å; L2563-L2584 HydrophobicContact CD1-CD1 4.5Å; L2563-L2585 CarbonylContact C-O 3.39Å; L2563-L2585 WeakPolarHBondContact CA-O 3.43Å; L2563-L2585 WeakPolarHBondContact CB-O 3.48Å; L2563-L2585 PolarHBondContact N-O 3.2Å; L2563-L2586 HydrophobicContact CB-CD2 3.93Å; L2563-L2586 HydrophobicContact CD1-CD2 4Å; L2563-N2589 PolarHBondContact O-ND2 3.04Å | ||
| 2564 | E | 92.9 | Very high | 92.6 | Very high | 31.3333 Ų | 31.3333 | 40.7 Ų | 40.7 | 15% | 0.146 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 146.7 | -179.6 | -178 | 165.2 | 163.7 | 0 | 0 | 112.4 | T1853 S2540 Y2541 N2562 N2566 L2585 G2587 Q2588 | T1853-E2564 WeakPolarHBondContact CG2-OE2 3.24Å; S2540-E2564 CarbonylContact C-O 3.52Å; S2540-E2564 WeakPolarHBondContact CA-O 3.37Å; S2540-E2564 WeakPolarHBondContact CB-O 3.22Å; Y2541-E2564 PolarHBondContact N-O 2.91Å; Y2541-E2564 PolarHBondContact OH-OE1 3.45Å; N2562-E2564 VanDerWaalsContact OD1-CB 3.25Å; N2562-E2564 WeakPolarHBondContact OD1-CB 3.32Å; N2562-E2564 PolarHBondContact OD1-N 3.34Å; N2562-E2564 VanDerWaalsContact OD1-N 3.09Å; E2564-N2566 VanDerWaalsContact C-N 3.31Å; E2564-N2566 PolarHBondContact O-N 2.99Å; E2564-N2566 PolarHBondContact O-ND2 3.01Å; E2564-L2585 PolarHBondContact N-O 3.03Å; E2564-G2587 CarbonylContact C-O 3.31Å; E2564-G2587 VanDerWaalsContact CA-O 3.26Å; E2564-G2587 WeakPolarHBondContact CA-O 3.41Å; E2564-G2587 WeakPolarHBondContact CG-O 3.25Å; E2564-Q2588 HydrophobicContact CG-CB 4.23Å; E2564-Q2588 HydrophobicContact CG-CG 4.35Å; E2564-Q2588 PolarHBondContact OE1-NE2 2.87Å |
| 2565 | G | 93.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 18.4 | 173 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y2541 G2587 Q2588 N2701 | Y2541-G2565 WeakPolarHBondContact CA-O 3.05Å; G2565-G2587 PolarHBondContact N-O 3.24Å; G2565-G2587 VanDerWaalsContact N-O 3.08Å; G2565-Q2588 VanDerWaalsContact CA-O 3.3Å; G2565-Q2588 WeakPolarHBondContact CA-O 3.41Å; G2565-Q2588 PolarHBondContact N-O 2.78Å; G2565-N2701 WeakPolarHBondContact CA-ND2 3.15Å; G2565-N2701 PolarHBondContact O-ND2 2.83Å |
| 2566 | N | 94.5 | Very high | 92.8 | Very high | 2.66667 Ų | 2.66667 | 40.1 Ų | 40.1 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -87.4 | -167.9 | 171.3 | -80.8 | -87.8 | 0 | 0 | 0 | 111 | L2539 N2542 N2543 I2544 L2563 E2564 I2568 N2589 | L2539-N2566 PolarHBondContact O-ND2 3.24Å; N2542-N2566 VanDerWaalsContact CA-OD1 3.31Å; N2542-N2566 WeakPolarHBondContact CA-OD1 3.11Å; N2542-N2566 WeakPolarHBondContact CB-OD1 3.41Å; N2542-N2566 PolarHBondContact N-OD1 3.11Å; N2542-N2566 WeakPolarHBondContact O-CA 3.15Å; N2542-N2566 PolarHBondContact O-OD1 2.95Å; N2542-N2566 VanDerWaalsContact O-OD1 3.05Å; N2543-N2566 PolarHBondContact N-OD1 2.99Å; I2544-N2566 HydrophobicContact CB-CB 4.29Å; I2544-N2566 VanDerWaalsContact CB-OD1 3.29Å; I2544-N2566 WeakPolarHBondContact CB-OD1 3.25Å; I2544-N2566 WeakPolarHBondContact CD1-OD1 3.04Å; I2544-N2566 VanDerWaalsContact CG1-OD1 3.31Å; I2544-N2566 WeakPolarHBondContact CG1-OD1 3.47Å; I2544-N2566 PolarHBondContact N-OD1 2.86Å; L2563-N2566 PolarHBondContact O-ND2 2.84Å; E2564-N2566 VanDerWaalsContact C-N 3.31Å; E2564-N2566 PolarHBondContact O-N 2.99Å; E2564-N2566 PolarHBondContact O-ND2 3.01Å; N2566-I2568 HydrophobicContact CB-CD1 4.11Å; N2566-I2568 HydrophobicContact CB-CG1 3.94Å; N2566-N2589 WeakPolarHBondContact CA-OD1 3.42Å; N2566-N2589 VanDerWaalsContact CB-OD1 3.22Å; N2566-N2589 WeakPolarHBondContact CB-OD1 3.42Å; N2566-N2589 PolarHBondContact N-OD1 3.24Å; N2566-N2589 PolarHBondContact O-OD1 3.12Å |
| 2567 | V | 94.1 | Very high | 92.6 | Very high | 42.3333 Ų | 42.3333 | 35.6 Ų | 35.6 | 26% | 0.257 | 19% | 0.19 | S | C | . | . | trans | -118 | 33 | 176.5 | -67.4 | 0 | 0 | 0 | 0 | 111.8 | N2543 I2544 A2545 Q2569 N2589 C2590 | N2543-V2567 WeakPolarHBondContact O-CG2 3.28Å; I2544-V2567 CarbonylContact O-C 3.46Å; I2544-V2567 WeakPolarHBondContact O-CA 3.47Å; I2544-V2567 WeakPolarHBondContact O-CG2 3.4Å; I2544-V2567 PolarHBondContact O-N 2.8Å; A2545-V2567 HydrophobicContact CB-CG2 4.23Å; V2567-Q2569 PolarHBondContact O-N 2.95Å; V2567-N2589 PolarHBondContact N-OD1 3.43Å; V2567-C2590 VanDerWaalsContact C-SG 3.51Å; V2567-C2590 WeakPolarHBondContact CA-SG 3.41Å; V2567-C2590 PolarHBondContact O-SG 2.89Å; V2567-C2590 VanDerWaalsContact O-SG 3.35Å | ||
| 2568 | I | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -66.1 | 119.6 | -173.5 | -58.8 | 167.5 | 0 | 0 | 0 | 109.6 | I2544 A2545 I2547 L2563 N2566 D2570 I2571 L2586 N2589 C2590 L2591 | I2544-I2568 HydrophobicContact CB-CG1 4.42Å; I2544-I2568 HydrophobicContact CG2-CG1 4.26Å; I2544-I2568 WeakPolarHBondContact O-CG1 3.47Å; I2544-I2568 PolarHBondContact O-N 3Å; I2544-I2568 VanDerWaalsContact O-N 3.11Å; A2545-I2568 WeakPolarHBondContact O-CA 3.25Å; I2547-I2568 HydrophobicContact CD1-CD1 4.03Å; I2547-I2568 HydrophobicContact CD1-CG1 4.5Å; I2547-I2568 HydrophobicContact CG1-CD1 4.02Å; I2547-I2568 HydrophobicContact CG1-CG1 4.43Å; I2547-I2568 HydrophobicContact CG1-CG2 4.21Å; L2563-I2568 HydrophobicContact CB-CD1 4.05Å; L2563-I2568 HydrophobicContact CD1-CD1 4.29Å; L2563-I2568 HydrophobicContact CD2-CD1 4.43Å; L2563-I2568 HydrophobicContact CG-CD1 4.47Å; N2566-I2568 HydrophobicContact CB-CD1 4.11Å; N2566-I2568 HydrophobicContact CB-CG1 3.94Å; I2568-D2570 WeakPolarHBondContact CG2-O 3.3Å; I2568-I2571 HydrophobicContact CG2-CD1 4.32Å; I2568-I2571 HydrophobicContact CG2-CG1 3.86Å; I2568-L2586 HydrophobicContact CD1-CD2 4.1Å; I2568-N2589 HydrophobicContact CB-CB 4.42Å; I2568-N2589 VanDerWaalsContact CB-OD1 3.25Å; I2568-N2589 WeakPolarHBondContact CB-OD1 3.21Å; I2568-N2589 VanDerWaalsContact CG1-OD1 3.27Å; I2568-N2589 WeakPolarHBondContact CG1-OD1 3.37Å; I2568-N2589 PolarHBondContact N-OD1 2.89Å; I2568-C2590 CarbonylContact O-C 3.52Å; I2568-C2590 VanDerWaalsContact O-C 3.28Å; I2568-C2590 VanDerWaalsContact O-CA 3.28Å; I2568-C2590 WeakPolarHBondContact O-CA 3.41Å; I2568-C2590 WeakPolarHBondContact O-CB 3.15Å; I2568-C2590 PolarHBondContact O-N 2.95Å; I2568-L2591 HydrophobicContact CG2-CD2 4.13Å; I2568-L2591 PolarHBondContact O-N 3.09Å | ||
| 2569 | Q | 92.2 | Very high | 91.9 | Very high | 126.667 Ų | 126.667 | 36.9 Ų | 36.9 | 59% | 0.592 | 20% | 0.2 | S | C | * | . | trans | -101.7 | -34.1 | 176.7 | -71.7 | 169.6 | 55.4 | 0 | 0 | 112.3 | A2545 V2567 C2590 | A2545-Q2569 PolarHBondContact O-N 3.12Å; V2567-Q2569 PolarHBondContact O-N 2.95Å; Q2569-C2590 HydrophobicContact CB-CB 4.48Å; Q2569-C2590 HydrophobicContact CG-CB 3.54Å | ||
| 2570 | D | 90.5 | Very high | 91.8 | Very high | 97.6667 Ų | 97.6667 | 35.8 Ų | 35.8 | 52% | 0.522 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 156 | 179.9 | -167.5 | 24.7 | 0 | 0 | 0 | 112.4 | E2546 I2547 I2568 | E2546-D2570 WeakPolarHBondContact CA-O 3.32Å; I2547-D2570 PolarHBondContact N-O 3.08Å; I2547-D2570 VanDerWaalsContact N-O 3.15Å; I2568-D2570 WeakPolarHBondContact CG2-O 3.3Å |
| 2571 | I | 94.2 | Very high | 91.8 | Very high | 2.33333 Ų | 2.33333 | 33.6 Ų | 33.6 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 115 | -178.4 | -61.4 | 176.9 | 0 | 0 | 0 | 107.4 | I2547 I2568 A2575 F2576 L2586 L2591 M2598 | I2547-I2571 HydrophobicContact CB-CB 4.4Å; I2547-I2571 HydrophobicContact CB-CG1 4.2Å; I2547-I2571 HydrophobicContact CB-CG2 4.2Å; I2547-I2571 HydrophobicContact CD1-CD1 3.93Å; I2547-I2571 HydrophobicContact CD1-CG1 3.85Å; I2547-I2571 HydrophobicContact CD1-CG2 4.33Å; I2547-I2571 HydrophobicContact CG1-CG1 4.13Å; I2547-I2571 HydrophobicContact CG2-CG2 4.39Å; I2568-I2571 HydrophobicContact CG2-CD1 4.32Å; I2568-I2571 HydrophobicContact CG2-CG1 3.86Å; I2571-A2575 HydrophobicContact CG2-CB 4.25Å; I2571-F2576 HydrophobicContact CD1-CE2 4.44Å; I2571-F2576 HydrophobicContact CD1-CZ 4.4Å; I2571-F2576 HydrophobicContact CG2-CD2 4.48Å; I2571-F2576 HydrophobicContact CG2-CE2 3.66Å; I2571-F2576 HydrophobicContact CG2-CZ 4.05Å; I2571-L2586 HydrophobicContact CD1-CD1 3.88Å; I2571-L2586 HydrophobicContact CD1-CD2 4.15Å; I2571-L2591 HydrophobicContact CD1-CD1 4.49Å; I2571-L2591 HydrophobicContact CD1-CD2 4.35Å; I2571-L2591 HydrophobicContact CG1-CD2 4.44Å; I2571-M2598 HydrophobicContact CB-CB 4.48Å; I2571-M2598 HydrophobicContact CB-CE 4.12Å; I2571-M2598 HydrophobicContact CB-CG 3.93Å; I2571-M2598 HydrophobicContact CD1-CE 4.17Å; I2571-M2598 HydrophobicContact CD1-CG 4.2Å; I2571-M2598 HydrophobicContact CD1-SD 4.28Å; I2571-M2598 HydrophobicContact CG1-CE 4.02Å; I2571-M2598 HydrophobicContact CG1-CG 4.42Å; I2571-M2598 HydrophobicContact CG2-CG 4.12Å |
| 2572 | A | 92.7 | Very high | 91.7 | Very high | 20.3333 Ų | 20.3333 | 35.9 Ų | 35.9 | 17% | 0.168 | 20% | 0.199 | C | C | . | . | trans | -61.6 | 147.3 | -173 | 0 | 0 | 0 | 0 | 0 | 112.7 | I2547 A2549 N2574 A2575 | I2547-A2572 VanDerWaalsContact O-CB 3.29Å; I2547-A2572 WeakPolarHBondContact O-CB 3.38Å; I2547-A2572 PolarHBondContact O-N 2.9Å; A2549-A2572 HydrophobicContact CB-CB 4.08Å; A2572-N2574 PolarHBondContact O-N 3.12Å; A2572-A2575 HydrophobicContact CB-CB 4.43Å; A2572-A2575 VanDerWaalsContact O-CB 3.24Å; A2572-A2575 WeakPolarHBondContact O-CB 3.32Å; A2572-A2575 PolarHBondContact O-N 3.1Å | ||
| 2573 | P | 90.4 | Very high | 91.5 | Very high | 75.3333 Ų | 75.3333 | 36.6 Ų | 36.6 | 49% | 0.489 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | 128.6 | 176.6 | -30.1 | 36.7 | 0 | 0 | 0 | 113 | A2575 S2597 | P2573-A2575 VanDerWaalsContact C-N 3.25Å; P2573-A2575 PolarHBondContact O-N 3.15Å; P2573-S2597 WeakPolarHBondContact CA-O 3.49Å |
| 2574 | N | 88.2 | Confident | 91.5 | Very high | 83.3333 Ų | 83.3333 | 36.6 Ų | 36.6 | 45% | 0.446 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 21.1 | -178.9 | -44.7 | -62.7 | 0 | 0 | 0 | 115.1 | A2572 F2576 A2577 S2597 N2600 | A2572-N2574 PolarHBondContact O-N 3.12Å; N2574-F2576 PolarHBondContact O-N 3.03Å; N2574-F2576 VanDerWaalsContact O-N 3.1Å; N2574-A2577 HydrophobicContact CB-CB 4.08Å; N2574-A2577 VanDerWaalsContact O-CB 3.24Å; N2574-A2577 WeakPolarHBondContact O-CB 3.36Å; N2574-A2577 PolarHBondContact O-N 3.14Å; N2574-S2597 PolarHBondContact N-O 2.94Å; N2574-S2597 VanDerWaalsContact N-O 3.17Å; N2574-N2600 WeakPolarHBondContact OD1-CB 3.3Å |
| 2575 | A | 90.7 | Very high | 91.6 | Very high | 2 Ų | 2 | 37 Ų | 37 | 2% | 0.017 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -28.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | I2547 I2571 A2572 P2573 | I2547-A2575 HydrophobicContact CG2-CB 3.92Å; I2571-A2575 HydrophobicContact CG2-CB 4.25Å; A2572-A2575 HydrophobicContact CB-CB 4.43Å; A2572-A2575 VanDerWaalsContact O-CB 3.24Å; A2572-A2575 WeakPolarHBondContact O-CB 3.32Å; A2572-A2575 PolarHBondContact O-N 3.1Å; P2573-A2575 VanDerWaalsContact C-N 3.25Å; P2573-A2575 PolarHBondContact O-N 3.15Å |
| 2576 | F | 91 | Very high | 91.7 | Very high | 0.333333 Ų | 0.333333 | 36.9 Ų | 36.9 | 0% | 0.001 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 5.5 | 177 | -50.7 | -71.1 | 0 | 0 | 0 | 114.4 | I2547 F2552 L2561 I2571 N2574 Q2578 T2579 L2581 L2584 L2602 | I2547-F2576 HydrophobicContact CD1-CE1 4.25Å; I2547-F2576 HydrophobicContact CD1-CZ 3.74Å; I2547-F2576 HydrophobicContact CG2-CE1 4.41Å; I2547-F2576 HydrophobicContact CG2-CZ 4.48Å; F2552-F2576 AromaticContact CD2-CD1 3.85Å; F2552-F2576 HydrophobicContact CD2-CD1 3.85Å; F2552-F2576 AromaticContact CD2-CE1 3.98Å; F2552-F2576 HydrophobicContact CD2-CE1 4.1Å; F2552-F2576 AromaticContact CE2-CD1 3.95Å; F2552-F2576 HydrophobicContact CE2-CD1 4Å; F2552-F2576 AromaticContact CE2-CE1 3.75Å; F2552-F2576 HydrophobicContact CE2-CE1 3.75Å; L2561-F2576 HydrophobicContact CD2-CD1 4.16Å; L2561-F2576 HydrophobicContact CD2-CE1 3.8Å; I2571-F2576 HydrophobicContact CD1-CE2 4.44Å; I2571-F2576 HydrophobicContact CD1-CZ 4.4Å; I2571-F2576 HydrophobicContact CG2-CD2 4.48Å; I2571-F2576 HydrophobicContact CG2-CE2 3.66Å; I2571-F2576 HydrophobicContact CG2-CZ 4.05Å; N2574-F2576 PolarHBondContact O-N 3.03Å; N2574-F2576 VanDerWaalsContact O-N 3.1Å; F2576-Q2578 PolarHBondContact O-N 3.24Å; F2576-T2579 WeakPolarHBondContact O-CB 3.34Å; F2576-T2579 PolarHBondContact O-N 2.91Å; F2576-T2579 VanDerWaalsContact O-N 3.14Å; F2576-T2579 PolarHBondContact O-OG1 3.17Å; F2576-L2581 HydrophobicContact CD1-CD1 4.16Å; F2576-L2581 HydrophobicContact CG-CD1 4.49Å; F2576-L2584 HydrophobicContact CD2-CD2 4.44Å; F2576-L2584 HydrophobicContact CE1-CD1 4.32Å; F2576-L2584 HydrophobicContact CE1-CD2 4.42Å; F2576-L2584 HydrophobicContact CE2-CD2 4.08Å; F2576-L2584 HydrophobicContact CZ-CD1 4.41Å; F2576-L2584 HydrophobicContact CZ-CD2 4.02Å; F2576-L2602 HydrophobicContact CB-CD1 4.3Å; F2576-L2602 HydrophobicContact CB-CD2 3.62Å; F2576-L2602 HydrophobicContact CB-CG 3.97Å; F2576-L2602 HydrophobicContact CD2-CD1 3.86Å; F2576-L2602 HydrophobicContact CD2-CD2 4.48Å; F2576-L2602 HydrophobicContact CD2-CG 4.35Å; F2576-L2602 HydrophobicContact CE2-CD1 4.46Å; F2576-L2602 HydrophobicContact CG-CD1 4.3Å; F2576-L2602 HydrophobicContact CG-CD2 4.21Å; F2576-L2602 HydrophobicContact CG-CG 4.39Å |
| 2577 | A | 86.2 | Confident | 91.6 | Very high | 35.6667 Ų | 35.6667 | 36.8 Ų | 36.8 | 30% | 0.295 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 146 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N2574 T2579 | N2574-A2577 HydrophobicContact CB-CB 4.08Å; N2574-A2577 VanDerWaalsContact O-CB 3.24Å; N2574-A2577 WeakPolarHBondContact O-CB 3.36Å; N2574-A2577 PolarHBondContact O-N 3.14Å; A2577-T2579 PolarHBondContact O-N 3.01Å |
| 2578 | Q | 82.7 | Confident | 91.6 | Very high | 128.667 Ų | 128.667 | 36.7 Ų | 36.7 | 60% | 0.601 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | 0.1 | -172.9 | -46.7 | 173.7 | 6 | 0 | 0 | 115.6 | H2553 F2576 | H2553-Q2578 PolarHBondContact CD2-OE1 3.1Å; H2553-Q2578 VanDerWaalsContact CD2-OE1 3.26Å; H2553-Q2578 PolarHBondContact NE2-NE2 3.03Å; H2553-Q2578 PolarHBondContact NE2-OE1 3.27Å; F2576-Q2578 PolarHBondContact O-N 3.24Å |
| 2579 | T | 89.5 | Confident | 91.5 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | trans | -91.5 | 129.7 | 172.1 | 69.7 | 0 | 0 | 0 | 0 | 111.2 | F2552 L2555 L2558 F2576 A2577 L2581 | F2552-T2579 HydrophobicContact CB-CG2 3.72Å; F2552-T2579 WeakPolarHBondContact O-CG2 3.45Å; L2555-T2579 HydrophobicContact CB-CG2 4.43Å; L2558-T2579 HydrophobicContact CD2-CG2 4.5Å; F2576-T2579 WeakPolarHBondContact O-CB 3.34Å; F2576-T2579 PolarHBondContact O-N 2.91Å; F2576-T2579 VanDerWaalsContact O-N 3.14Å; F2576-T2579 PolarHBondContact O-OG1 3.17Å; A2577-T2579 PolarHBondContact O-N 3.01Å; T2579-L2581 PolarHBondContact O-N 3.23Å; T2579-L2581 VanDerWaalsContact O-N 3.14Å; T2579-L2581 WeakPolarHBondContact OG1-CD1 3.48Å; T2579-L2581 WeakPolarHBondContact OG1-CG 3.21Å | ||
| 2580 | P | 91.3 | Very high | 91.6 | Very high | 30.6667 Ų | 30.6667 | 31.1 Ų | 31.1 | 20% | 0.199 | 18% | 0.175 | C | C | . | . | trans | -85.5 | 43.4 | -179.5 | 36.9 | -37.7 | 0 | 0 | 0 | 112.5 | E2556 L2558 L2559 L2582 F2604 | E2556-P2580 WeakPolarHBondContact O-CG 3.27Å; L2558-P2580 CarbonylContact O-C 3.32Å; L2558-P2580 VanDerWaalsContact O-C 3.28Å; L2558-P2580 WeakPolarHBondContact O-CD 3.34Å; L2558-P2580 WeakPolarHBondContact O-CG 3.32Å; L2559-P2580 HydrophobicContact CD2-CB 4.42Å; L2559-P2580 HydrophobicContact CD2-CG 4.33Å; L2559-P2580 WeakPolarHBondContact CD2-O 3.45Å; P2580-L2582 PolarHBondContact O-N 3.19Å; P2580-F2604 HydrophobicContact CB-CD2 4.48Å | ||
| 2581 | L | 93.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | trans | -59.4 | 135 | -173.3 | -75.7 | 172.5 | 0 | 0 | 0 | 112.3 | L2558 L2561 F2576 T2579 L2602 F2604 L2605 | L2558-L2581 HydrophobicContact CB-CD2 4.43Å; L2558-L2581 HydrophobicContact CD2-CD2 3.95Å; L2558-L2581 HydrophobicContact CG-CD2 3.79Å; L2558-L2581 WeakPolarHBondContact O-CA 3.23Å; L2558-L2581 PolarHBondContact O-N 3.23Å; L2561-L2581 HydrophobicContact CB-CD1 4.24Å; L2561-L2581 HydrophobicContact CB-CD2 3.72Å; L2561-L2581 HydrophobicContact CD2-CD1 4.2Å; F2576-L2581 HydrophobicContact CD1-CD1 4.16Å; F2576-L2581 HydrophobicContact CG-CD1 4.49Å; T2579-L2581 PolarHBondContact O-N 3.23Å; T2579-L2581 VanDerWaalsContact O-N 3.14Å; T2579-L2581 WeakPolarHBondContact OG1-CD1 3.48Å; T2579-L2581 WeakPolarHBondContact OG1-CG 3.21Å; L2581-L2602 HydrophobicContact CB-CD2 3.98Å; L2581-L2602 HydrophobicContact CD1-CD2 3.9Å; L2581-L2602 HydrophobicContact CG-CD2 4.44Å; L2581-F2604 CarbonylContact O-C 3.51Å; L2581-L2605 HydrophobicContact CB-CD1 3.95Å; L2581-L2605 VanDerWaalsContact O-CA 3.25Å; L2581-L2605 WeakPolarHBondContact O-CA 3.31Å; L2581-L2605 PolarHBondContact O-N 3.07Å | ||
| 2582 | L | 92.2 | Very high | 91.7 | Very high | 49.6667 Ų | 49.6667 | 30.4 Ų | 30.4 | 26% | 0.26 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -107 | -32.7 | 173.2 | -57.7 | -178.8 | 0 | 0 | 0 | 111.5 | P1943 L2559 P2580 F2604 R2606 Q2607 | P1943-L2582 HydrophobicContact CB-CD1 3.93Å; P1943-L2582 HydrophobicContact CG-CD1 4.48Å; L2559-L2582 HydrophobicContact CB-CD1 4.38Å; L2559-L2582 HydrophobicContact CB-CG 4.41Å; L2559-L2582 HydrophobicContact CD2-CD1 4.18Å; L2559-L2582 HydrophobicContact CD2-CG 4.27Å; L2559-L2582 PolarHBondContact O-N 3.08Å; P2580-L2582 PolarHBondContact O-N 3.19Å; L2582-F2604 HydrophobicContact CD2-CB 4.08Å; L2582-F2604 WeakPolarHBondContact CD2-O 3.2Å; L2582-R2606 PolarHBondContact O-N 3.12Å; L2582-Q2607 PolarHBondContact O-N 3.12Å |
| 2583 | L | 91.6 | Very high | 91.6 | Very high | 31.6667 Ų | 31.6667 | 30.5 Ų | 30.5 | 17% | 0.166 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 129.3 | 178.5 | 173.3 | 64.4 | 0 | 0 | 0 | 110.3 | L2559 Q2560 L2561 L2585 Q2607 | L2559-L2583 PolarHBondContact O-N 3.16Å; L2559-L2583 VanDerWaalsContact O-N 3.1Å; Q2560-L2583 WeakPolarHBondContact CA-O 3.33Å; Q2560-L2583 HydrophobicContact CB-CB 4.4Å; Q2560-L2583 HydrophobicContact CB-CD2 4.46Å; Q2560-L2583 HydrophobicContact CG-CB 4.17Å; Q2560-L2583 HydrophobicContact CG-CD2 4.34Å; L2561-L2583 PolarHBondContact N-O 3.27Å; L2561-L2583 VanDerWaalsContact N-O 3.11Å; L2583-L2585 HydrophobicContact CD1-CD2 3.89Å; L2583-L2585 HydrophobicContact CD1-CG 4.09Å; L2583-L2585 HydrophobicContact CG-CG 4.31Å; L2583-Q2607 WeakPolarHBondContact CA-O 3.3Å; L2583-Q2607 HydrophobicContact CD1-CB 3.59Å |
| 2584 | L | 95.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 119.8 | 173.4 | 177.5 | 57.5 | 0 | 0 | 0 | 109.6 | L2561 L2563 F2576 L2586 L2602 L2605 Q2607 L2608 S2609 | L2561-L2584 HydrophobicContact CB-CD1 4.13Å; L2561-L2584 HydrophobicContact CD2-CD1 4Å; L2561-L2584 HydrophobicContact CG-CD1 4.05Å; L2563-L2584 HydrophobicContact CD1-CD1 4.5Å; F2576-L2584 HydrophobicContact CD2-CD2 4.44Å; F2576-L2584 HydrophobicContact CE1-CD1 4.32Å; F2576-L2584 HydrophobicContact CE1-CD2 4.42Å; F2576-L2584 HydrophobicContact CE2-CD2 4.08Å; F2576-L2584 HydrophobicContact CZ-CD1 4.41Å; F2576-L2584 HydrophobicContact CZ-CD2 4.02Å; L2584-L2586 HydrophobicContact CD1-CD1 4.41Å; L2584-L2586 HydrophobicContact CD1-CG 4.19Å; L2584-L2586 HydrophobicContact CD2-CD1 3.95Å; L2584-L2586 HydrophobicContact CG-CD1 4.03Å; L2584-L2586 HydrophobicContact CG-CG 4.14Å; L2584-L2602 HydrophobicContact CD2-CD1 4.17Å; L2584-L2605 HydrophobicContact CB-CD1 3.82Å; L2584-L2605 HydrophobicContact CB-CD2 4.44Å; L2584-Q2607 PolarHBondContact N-O 2.95Å; L2584-L2608 HydrophobicContact CB-CD1 4.03Å; L2584-L2608 HydrophobicContact CD2-CD1 3.98Å; L2584-L2608 HydrophobicContact CG-CD1 3.94Å; L2584-L2608 WeakPolarHBondContact O-CA 3.39Å; L2584-S2609 PolarHBondContact O-N 3.13Å; L2584-S2609 VanDerWaalsContact O-N 3.15Å |
| 2585 | L | 95.3 | Very high | 91.7 | Very high | 39.3333 Ų | 39.3333 | 24.4 Ų | 24.4 | 21% | 0.206 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 115.9 | 177.5 | -61 | 175.4 | 0 | 0 | 0 | 109.8 | L2561 N2562 L2563 E2564 L2583 | L2561-L2585 PolarHBondContact O-N 3.04Å; N2562-L2585 HydrophobicContact CB-CB 4.48Å; N2562-L2585 HydrophobicContact CB-CD1 4.38Å; N2562-L2585 WeakPolarHBondContact OD1-CB 3.34Å; L2563-L2585 CarbonylContact C-O 3.39Å; L2563-L2585 WeakPolarHBondContact CA-O 3.43Å; L2563-L2585 WeakPolarHBondContact CB-O 3.48Å; L2563-L2585 PolarHBondContact N-O 3.2Å; E2564-L2585 PolarHBondContact N-O 3.03Å; L2583-L2585 HydrophobicContact CD1-CD2 3.89Å; L2583-L2585 HydrophobicContact CD1-CG 4.09Å; L2583-L2585 HydrophobicContact CG-CG 4.31Å |
| 2586 | L | 95.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -124.4 | 22.1 | 178.7 | -72.5 | 166.4 | 0 | 0 | 0 | 111.2 | I2547 L2563 I2568 I2571 L2584 N2589 L2591 L2608 S2609 M2610 N2613 | I2547-L2586 HydrophobicContact CD1-CD2 4.34Å; L2563-L2586 HydrophobicContact CB-CD2 3.93Å; L2563-L2586 HydrophobicContact CD1-CD2 4Å; I2568-L2586 HydrophobicContact CD1-CD2 4.1Å; I2571-L2586 HydrophobicContact CD1-CD1 3.88Å; I2571-L2586 HydrophobicContact CD1-CD2 4.15Å; L2584-L2586 HydrophobicContact CD1-CD1 4.41Å; L2584-L2586 HydrophobicContact CD1-CG 4.19Å; L2584-L2586 HydrophobicContact CD2-CD1 3.95Å; L2584-L2586 HydrophobicContact CG-CD1 4.03Å; L2584-L2586 HydrophobicContact CG-CG 4.14Å; L2586-N2589 PolarHBondContact O-ND2 2.91Å; L2586-L2591 HydrophobicContact CB-CD1 4.5Å; L2586-L2608 HydrophobicContact CD1-CD1 4.44Å; L2586-S2609 CarbonylContact C-O 3.36Å; L2586-S2609 WeakPolarHBondContact CA-O 3.49Å; L2586-S2609 WeakPolarHBondContact CB-O 3.19Å; L2586-S2609 PolarHBondContact N-O 2.99Å; L2586-M2610 HydrophobicContact CB-CG 4.12Å; L2586-M2610 HydrophobicContact CD1-CG 4.38Å; L2586-N2613 PolarHBondContact O-ND2 3.01Å | ||
| 2587 | G | 92.4 | Very high | 91.1 | Very high | 0.666667 Ų | 0.666667 | 30.4 Ų | 30.4 | 1% | 0.007 | 18% | 0.176 | C | C | . | . | trans | -61 | 162 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | E2564 G2565 N2589 S2609 A2611 | E2564-G2587 CarbonylContact C-O 3.31Å; E2564-G2587 VanDerWaalsContact CA-O 3.26Å; E2564-G2587 WeakPolarHBondContact CA-O 3.41Å; E2564-G2587 WeakPolarHBondContact CG-O 3.25Å; G2565-G2587 PolarHBondContact N-O 3.24Å; G2565-G2587 VanDerWaalsContact N-O 3.08Å; G2587-N2589 VanDerWaalsContact C-N 3.27Å; G2587-N2589 PolarHBondContact O-N 3.09Å; G2587-N2589 VanDerWaalsContact O-N 3.1Å; G2587-N2589 PolarHBondContact O-ND2 3.12Å; G2587-S2609 PolarHBondContact N-O 3.21Å; G2587-A2611 CarbonylContact C-O 3.37Å; G2587-A2611 WeakPolarHBondContact CA-O 3.29Å | ||
| 2588 | Q | 92.5 | Very high | 91.3 | Very high | 39.3333 Ų | 39.3333 | 29 Ų | 29 | 18% | 0.184 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 52.2 | 41.2 | 172.7 | -58.4 | -173.7 | 68 | 0 | 0 | 114.3 | Y2541 E2564 G2565 A2611 N2612 P2700 | Y2541-Q2588 PolarHBondContact OH-NE2 2.92Å; E2564-Q2588 HydrophobicContact CG-CB 4.23Å; E2564-Q2588 HydrophobicContact CG-CG 4.35Å; E2564-Q2588 PolarHBondContact OE1-NE2 2.87Å; G2565-Q2588 VanDerWaalsContact CA-O 3.3Å; G2565-Q2588 WeakPolarHBondContact CA-O 3.41Å; G2565-Q2588 PolarHBondContact N-O 2.78Å; Q2588-A2611 PolarHBondContact N-O 3.03Å; Q2588-N2612 VanDerWaalsContact CA-O 3.25Å; Q2588-N2612 WeakPolarHBondContact CA-O 3.4Å; Q2588-N2612 HydrophobicContact CG-CB 4.06Å; Q2588-N2612 PolarHBondContact N-O 3.04Å; Q2588-P2700 HydrophobicContact CB-CB 4.49Å |
| 2589 | N | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -118.3 | -177.3 | -178.9 | -89.9 | -83.2 | 0 | 0 | 0 | 111.7 | L2563 N2566 V2567 I2568 L2586 G2587 N2612 N2613 P2700 | L2563-N2589 PolarHBondContact O-ND2 3.04Å; N2566-N2589 WeakPolarHBondContact CA-OD1 3.42Å; N2566-N2589 VanDerWaalsContact CB-OD1 3.22Å; N2566-N2589 WeakPolarHBondContact CB-OD1 3.42Å; N2566-N2589 PolarHBondContact N-OD1 3.24Å; N2566-N2589 PolarHBondContact O-OD1 3.12Å; V2567-N2589 PolarHBondContact N-OD1 3.43Å; I2568-N2589 HydrophobicContact CB-CB 4.42Å; I2568-N2589 VanDerWaalsContact CB-OD1 3.25Å; I2568-N2589 WeakPolarHBondContact CB-OD1 3.21Å; I2568-N2589 VanDerWaalsContact CG1-OD1 3.27Å; I2568-N2589 WeakPolarHBondContact CG1-OD1 3.37Å; I2568-N2589 PolarHBondContact N-OD1 2.89Å; L2586-N2589 PolarHBondContact O-ND2 2.91Å; G2587-N2589 VanDerWaalsContact C-N 3.27Å; G2587-N2589 PolarHBondContact O-N 3.09Å; G2587-N2589 VanDerWaalsContact O-N 3.1Å; G2587-N2589 PolarHBondContact O-ND2 3.12Å; N2589-N2612 PolarHBondContact N-O 3.07Å; N2589-N2613 WeakPolarHBondContact CA-OD1 3.41Å; N2589-N2613 WeakPolarHBondContact CB-OD1 3.33Å; N2589-N2613 PolarHBondContact N-ND2 3.04Å; N2589-N2613 PolarHBondContact O-OD1 3Å; N2589-N2613 VanDerWaalsContact O-OD1 3.11Å; N2589-P2700 WeakPolarHBondContact O-CD 3.43Å |
| 2590 | C | 93.7 | Very high | 91.5 | Very high | 9.33333 Ų | 9.33333 | 24.9 Ų | 24.9 | 6% | 0.063 | 15% | 0.145 | C | C | . | . | trans | -96 | 11.7 | -174.8 | -51.8 | 0 | 0 | 0 | 0 | 114.6 | V2567 I2568 Q2569 T2592 C2699 | V2567-C2590 VanDerWaalsContact C-SG 3.51Å; V2567-C2590 WeakPolarHBondContact CA-SG 3.41Å; V2567-C2590 PolarHBondContact O-SG 2.89Å; V2567-C2590 VanDerWaalsContact O-SG 3.35Å; I2568-C2590 CarbonylContact O-C 3.52Å; I2568-C2590 VanDerWaalsContact O-C 3.28Å; I2568-C2590 VanDerWaalsContact O-CA 3.28Å; I2568-C2590 WeakPolarHBondContact O-CA 3.41Å; I2568-C2590 WeakPolarHBondContact O-CB 3.15Å; I2568-C2590 PolarHBondContact O-N 2.95Å; Q2569-C2590 HydrophobicContact CB-CB 4.48Å; Q2569-C2590 HydrophobicContact CG-CB 3.54Å; C2590-T2592 PolarHBondContact O-N 3.03Å; C2590-C2699 WeakPolarHBondContact CA-SG 3.33Å; C2590-C2699 HydrophobicContact CB-CB 4.01Å; C2590-C2699 WeakPolarHBondContact CB-SG 3.4Å; C2590-C2699 PolarHBondContact N-SG 3.17Å; C2590-C2699 WeakPolarHBondContact SG-CB 3.3Å; C2590-C2699 CovalentContact SG-SG 2.03Å; C2590-C2699 PolarHBondContact SG-SG 2.88Å | ||
| 2591 | L | 94 | Very high | 91.2 | Very high | 0.666667 Ų | 0.666667 | 25 Ų | 25 | 0% | 0.003 | 15% | 0.151 | C | C | . | . | trans | -62.1 | 130.2 | -172.9 | -60.1 | 172.9 | 0 | 0 | 0 | 111.4 | I2568 I2571 L2586 M2598 M2610 N2613 N2614 I2615 | I2568-L2591 HydrophobicContact CG2-CD2 4.13Å; I2568-L2591 PolarHBondContact O-N 3.09Å; I2571-L2591 HydrophobicContact CD1-CD1 4.49Å; I2571-L2591 HydrophobicContact CD1-CD2 4.35Å; I2571-L2591 HydrophobicContact CG1-CD2 4.44Å; L2586-L2591 HydrophobicContact CB-CD1 4.5Å; L2591-M2598 HydrophobicContact CD2-CE 4.19Å; L2591-M2610 HydrophobicContact CD1-SD 4.35Å; L2591-N2613 HydrophobicContact CB-CB 4.35Å; L2591-N2613 VanDerWaalsContact CB-OD1 3.31Å; L2591-N2613 WeakPolarHBondContact CB-OD1 3.18Å; L2591-N2613 WeakPolarHBondContact CG-OD1 3.35Å; L2591-N2613 PolarHBondContact N-OD1 3.14Å; L2591-N2613 VanDerWaalsContact N-OD1 3.08Å; L2591-N2614 CarbonylContact O-C 3.44Å; L2591-N2614 VanDerWaalsContact O-CA 3.26Å; L2591-N2614 WeakPolarHBondContact O-CA 3.44Å; L2591-N2614 WeakPolarHBondContact O-CB 3.25Å; L2591-N2614 PolarHBondContact O-N 3.29Å; L2591-I2615 HydrophobicContact CB-CD1 4.37Å; L2591-I2615 HydrophobicContact CB-CG1 4.09Å; L2591-I2615 WeakPolarHBondContact O-CG1 3.33Å; L2591-I2615 PolarHBondContact O-N 2.66Å; L2591-I2615 VanDerWaalsContact O-N 3.14Å | ||
| 2592 | T | 91.9 | Very high | 91.1 | Very high | 84.6667 Ų | 84.6667 | 25 Ų | 25 | 52% | 0.519 | 15% | 0.152 | S | C | . | . | trans | -103.6 | -16.1 | -177.9 | 55.7 | 0 | 0 | 0 | 0 | 114.2 | C2590 N2614 I2615 K2616 | C2590-T2592 PolarHBondContact O-N 3.03Å; T2592-N2614 WeakPolarHBondContact CA-O 3.41Å; T2592-N2614 HydrophobicContact CG2-CB 4.24Å; T2592-I2615 WeakPolarHBondContact O-CA 3.32Å; T2592-K2616 PolarHBondContact O-N 3.08Å | ||
| 2593 | G | 91 | Very high | 90.9 | Very high | 23.6667 Ų | 23.6667 | 25.3 Ų | 25.3 | 24% | 0.244 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.8 | 163.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | N2617 | G2593-N2617 CarbonylContact C-O 3.46Å; G2593-N2617 WeakPolarHBondContact CA-O 3.33Å |
| 2594 | I | 91.8 | Very high | 90.9 | Very high | 4.33333 Ų | 4.33333 | 29.4 Ų | 29.4 | 2% | 0.022 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 127.7 | 179.9 | -48.4 | 174.1 | 0 | 0 | 0 | 109.3 | M2598 L2599 M2610 I2615 N2617 I2618 Q2619 A2622 F2623 L2634 | I2594-M2598 HydrophobicContact CG2-SD 4.24Å; I2594-L2599 HydrophobicContact CG2-CD1 3.9Å; I2594-M2610 HydrophobicContact CD1-CE 3.82Å; I2594-M2610 HydrophobicContact CD1-SD 3.77Å; I2594-M2610 VanDerWaalsContact CD1-SD 3.57Å; I2594-M2610 HydrophobicContact CG1-SD 4.17Å; I2594-M2610 HydrophobicContact CG2-CE 4.4Å; I2594-I2615 HydrophobicContact CD1-CD1 4.05Å; I2594-I2615 HydrophobicContact CD1-CG2 4.22Å; I2594-I2615 HydrophobicContact CG1-CD1 4.02Å; I2594-I2615 HydrophobicContact CG1-CG2 3.95Å; I2594-N2617 PolarHBondContact N-O 3.06Å; I2594-I2618 HydrophobicContact CB-CG1 4.45Å; I2594-I2618 HydrophobicContact CB-CG2 4.14Å; I2594-I2618 HydrophobicContact CD1-CD1 4.08Å; I2594-I2618 HydrophobicContact CD1-CG1 3.99Å; I2594-I2618 HydrophobicContact CD1-CG2 4.36Å; I2594-I2618 HydrophobicContact CG1-CG1 4.37Å; I2594-Q2619 PolarHBondContact O-N 3.08Å; I2594-A2622 HydrophobicContact CG2-CB 4.11Å; I2594-F2623 HydrophobicContact CD1-CE1 3.97Å; I2594-F2623 HydrophobicContact CD1-CZ 3.62Å; I2594-F2623 HydrophobicContact CG2-CE1 4.1Å; I2594-F2623 HydrophobicContact CG2-CZ 4.48Å; I2594-L2634 HydrophobicContact CD1-CD2 3.94Å |
| 2595 | S | 88.6 | Confident | 90.8 | Very high | 26 Ų | 26 | 29.4 Ų | 29.4 | 18% | 0.182 | 17% | 0.173 | C | C | . | . | trans | -106.9 | 158.7 | 173.7 | 70.1 | 0 | 0 | 0 | 0 | 111.9 | S2597 M2598 Q2619 | S2595-S2597 VanDerWaalsContact C-N 3.32Å; S2595-S2597 PolarHBondContact O-N 3.25Å; S2595-S2597 PolarHBondContact OG-OG 3.27Å; S2595-S2597 VanDerWaalsContact OG-OG 3.14Å; S2595-M2598 WeakPolarHBondContact O-CB 3.14Å; S2595-M2598 PolarHBondContact O-N 3.41Å; S2595-M2598 VanDerWaalsContact OG-CB 3.3Å; S2595-M2598 WeakPolarHBondContact OG-CB 3.44Å; S2595-M2598 PolarHBondContact OG-N 3.12Å; S2595-Q2619 VanDerWaalsContact CA-OE1 3.28Å; S2595-Q2619 VanDerWaalsContact CB-OE1 3.28Å | ||
| 2596 | Q | 83.6 | Confident | 90.5 | Very high | 83.3333 Ų | 83.3333 | 32.8 Ų | 32.8 | 39% | 0.389 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -36.6 | 174.7 | -169.9 | -177.2 | 6.6 | 0 | 0 | 112.1 | M2598 L2599 N2600 | Q2596-M2598 VanDerWaalsContact C-N 3.31Å; Q2596-M2598 PolarHBondContact O-N 3.09Å; Q2596-L2599 PolarHBondContact O-N 3.11Å; Q2596-N2600 PolarHBondContact O-N 3.23Å; Q2596-N2600 PolarHBondContact O-OD1 3.27Å |
| 2597 | S | 86.8 | Confident | 90.3 | Very high | 45 Ų | 45 | 37 Ų | 37 | 32% | 0.315 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -67.9 | -29 | -178 | 50.4 | 0 | 0 | 0 | 0 | 114.2 | P2573 N2574 S2595 L2599 N2600 | P2573-S2597 WeakPolarHBondContact CA-O 3.49Å; N2574-S2597 PolarHBondContact N-O 2.94Å; N2574-S2597 VanDerWaalsContact N-O 3.17Å; S2595-S2597 VanDerWaalsContact C-N 3.32Å; S2595-S2597 PolarHBondContact O-N 3.25Å; S2595-S2597 PolarHBondContact OG-OG 3.27Å; S2595-S2597 VanDerWaalsContact OG-OG 3.14Å; S2597-L2599 VanDerWaalsContact C-N 3.3Å; S2597-L2599 PolarHBondContact O-N 2.8Å; S2597-N2600 PolarHBondContact O-N 2.85Å |
| 2598 | M | 90.2 | Very high | 90.4 | Very high | 5.66667 Ų | 5.66667 | 37 Ų | 37 | 3% | 0.028 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -61.2 | -35.2 | 178.9 | 168.3 | 178.6 | -72.5 | 0 | 0 | 112.9 | I2571 L2591 I2594 S2595 Q2596 | I2571-M2598 HydrophobicContact CB-CB 4.48Å; I2571-M2598 HydrophobicContact CB-CE 4.12Å; I2571-M2598 HydrophobicContact CB-CG 3.93Å; I2571-M2598 HydrophobicContact CD1-CE 4.17Å; I2571-M2598 HydrophobicContact CD1-CG 4.2Å; I2571-M2598 HydrophobicContact CD1-SD 4.28Å; I2571-M2598 HydrophobicContact CG1-CE 4.02Å; I2571-M2598 HydrophobicContact CG1-CG 4.42Å; I2571-M2598 HydrophobicContact CG2-CG 4.12Å; L2591-M2598 HydrophobicContact CD2-CE 4.19Å; I2594-M2598 HydrophobicContact CG2-SD 4.24Å; S2595-M2598 WeakPolarHBondContact O-CB 3.14Å; S2595-M2598 PolarHBondContact O-N 3.41Å; S2595-M2598 VanDerWaalsContact OG-CB 3.3Å; S2595-M2598 WeakPolarHBondContact OG-CB 3.44Å; S2595-M2598 PolarHBondContact OG-N 3.12Å; Q2596-M2598 VanDerWaalsContact C-N 3.31Å; Q2596-M2598 PolarHBondContact O-N 3.09Å |
| 2599 | L | 88.9 | Confident | 90.5 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -111 | 13.8 | -173.9 | -58.2 | 174.8 | 0 | 0 | 0 | 112.7 | I2594 Q2596 S2597 L2602 L2608 M2610 F2623 S2625 L2626 | I2594-L2599 HydrophobicContact CG2-CD1 3.9Å; Q2596-L2599 PolarHBondContact O-N 3.11Å; S2597-L2599 VanDerWaalsContact C-N 3.3Å; S2597-L2599 PolarHBondContact O-N 2.8Å; L2599-L2602 HydrophobicContact CB-CD1 4.47Å; L2599-L2602 HydrophobicContact CD2-CD1 4.24Å; L2599-L2608 HydrophobicContact CD1-CD2 4.09Å; L2599-L2608 HydrophobicContact CD2-CD2 4.34Å; L2599-M2610 HydrophobicContact CD1-CE 3.86Å; L2599-M2610 HydrophobicContact CD2-CE 3.96Å; L2599-M2610 HydrophobicContact CG-CE 4.48Å; L2599-F2623 HydrophobicContact CD1-CD1 3.63Å; L2599-F2623 HydrophobicContact CD1-CE1 3.73Å; L2599-S2625 WeakPolarHBondContact O-CB 3.45Å; L2599-S2625 PolarHBondContact O-OG 3.15Å; L2599-L2626 HydrophobicContact CB-CD2 4.4Å; L2599-L2626 HydrophobicContact CD1-CD1 4.22Å |
| 2600 | N | 87.1 | Confident | 90.6 | Very high | 48 Ų | 48 | 35.6 Ų | 35.6 | 26% | 0.257 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 143.6 | 174.3 | -84.3 | -15.8 | 0 | 0 | 0 | 111.6 | N2574 Q2596 S2597 | N2574-N2600 WeakPolarHBondContact OD1-CB 3.3Å; Q2596-N2600 PolarHBondContact O-N 3.23Å; Q2596-N2600 PolarHBondContact O-OD1 3.27Å; S2597-N2600 PolarHBondContact O-N 2.85Å |
| 2601 | G | 85.1 | Confident | 90.5 | Very high | 32 Ų | 32 | 35.4 Ų | 35.4 | 33% | 0.33 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | 7.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | P2603 | G2601-P2603 WeakPolarHBondContact O-CD 3.28Š|
| 2602 | L | 91.6 | Very high | 90.5 | Very high | 1.5 Ų | 1.5 | 39.2 Ų | 39.2 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | trans | -109.5 | 50.1 | -175.4 | -67.9 | 172.5 | 0 | 0 | 0 | 114.8 | F2576 L2581 L2584 L2599 F2604 L2605 L2626 | F2576-L2602 HydrophobicContact CB-CD1 4.3Å; F2576-L2602 HydrophobicContact CB-CD2 3.62Å; F2576-L2602 HydrophobicContact CB-CG 3.97Å; F2576-L2602 HydrophobicContact CD2-CD1 3.86Å; F2576-L2602 HydrophobicContact CD2-CD2 4.48Å; F2576-L2602 HydrophobicContact CD2-CG 4.35Å; F2576-L2602 HydrophobicContact CE2-CD1 4.46Å; F2576-L2602 HydrophobicContact CG-CD1 4.3Å; F2576-L2602 HydrophobicContact CG-CD2 4.21Å; F2576-L2602 HydrophobicContact CG-CG 4.39Å; L2581-L2602 HydrophobicContact CB-CD2 3.98Å; L2581-L2602 HydrophobicContact CD1-CD2 3.9Å; L2581-L2602 HydrophobicContact CG-CD2 4.44Å; L2584-L2602 HydrophobicContact CD2-CD1 4.17Å; L2599-L2602 HydrophobicContact CB-CD1 4.47Å; L2599-L2602 HydrophobicContact CD2-CD1 4.24Å; L2602-F2604 VanDerWaalsContact C-N 3.27Å; L2602-F2604 PolarHBondContact O-N 3.09Å; L2602-L2605 HydrophobicContact CB-CB 4.25Å; L2602-L2605 HydrophobicContact CD1-CD2 4.31Å; L2602-L2605 WeakPolarHBondContact O-CB 3.48Å; L2602-L2605 PolarHBondContact O-N 3.27Å; L2602-L2626 HydrophobicContact CB-CD2 3.53Å; L2602-L2626 VanDerWaalsContact CB-CD2 3.5Å; L2602-L2626 HydrophobicContact CD1-CD2 4.26Å | ||
| 2603 | P | 88.5 | Confident | 90.6 | Very high | 56.5 Ų | 56.5 | 35.5 Ų | 35.5 | 37% | 0.367 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -18.7 | -171.3 | 31.8 | -37.6 | 0 | 0 | 0 | 114.5 | G2601 S2625 N2628 | G2601-P2603 WeakPolarHBondContact O-CD 3.28Å; P2603-S2625 WeakPolarHBondContact CA-O 3.36Å; P2603-N2628 PolarHBondContact O-ND2 3.41Å |
| 2604 | F | 90.8 | Very high | 90.6 | Very high | 117 Ų | 117 | 34.8 Ų | 34.8 | 51% | 0.513 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -5 | -177.8 | -58.3 | -63.1 | 0 | 0 | 0 | 113.9 | P2580 L2581 L2582 L2602 R2606 | P2580-F2604 HydrophobicContact CB-CD2 4.48Å; L2581-F2604 CarbonylContact O-C 3.51Å; L2582-F2604 HydrophobicContact CD2-CB 4.08Å; L2582-F2604 WeakPolarHBondContact CD2-O 3.2Å; L2602-F2604 VanDerWaalsContact C-N 3.27Å; L2602-F2604 PolarHBondContact O-N 3.09Å; F2604-R2606 PolarHBondContact O-N 3.18Å |
| 2605 | L | 92.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -62.8 | 128.7 | -173.6 | -164.5 | 75.9 | 0 | 0 | 0 | 110.9 | L2581 L2584 L2602 L2608 L2626 N2628 L2629 | L2581-L2605 HydrophobicContact CB-CD1 3.95Å; L2581-L2605 VanDerWaalsContact O-CA 3.25Å; L2581-L2605 WeakPolarHBondContact O-CA 3.31Å; L2581-L2605 PolarHBondContact O-N 3.07Å; L2584-L2605 HydrophobicContact CB-CD1 3.82Å; L2584-L2605 HydrophobicContact CB-CD2 4.44Å; L2602-L2605 HydrophobicContact CB-CB 4.25Å; L2602-L2605 HydrophobicContact CD1-CD2 4.31Å; L2602-L2605 WeakPolarHBondContact O-CB 3.48Å; L2602-L2605 PolarHBondContact O-N 3.27Å; L2605-L2608 HydrophobicContact CD2-CB 3.9Å; L2605-L2608 HydrophobicContact CD2-CD1 4.35Å; L2605-L2608 HydrophobicContact CD2-CD2 4.15Å; L2605-L2608 HydrophobicContact CD2-CG 4.37Å; L2605-L2626 HydrophobicContact CB-CD2 4.27Å; L2605-L2626 HydrophobicContact CD2-CD1 4.33Å; L2605-L2626 HydrophobicContact CD2-CD2 3.93Å; L2605-N2628 CarbonylContact O-C 3.52Å; L2605-L2629 HydrophobicContact CD2-CD1 4.32Å; L2605-L2629 HydrophobicContact CG-CD1 4.43Å; L2605-L2629 WeakPolarHBondContact O-CA 3.48Å; L2605-L2629 PolarHBondContact O-N 3.41Å | ||
| 2606 | R | 90 | Very high | 90.8 | Very high | 112 Ų | 112 | 37 Ų | 37 | 42% | 0.423 | 19% | 0.191 | S | C | . | . | trans | -108.1 | -33.9 | -180 | -62.2 | -175.7 | -179.3 | -169.3 | 1.5 | 112.5 | L2582 F2604 Q2630 L2631 | L2582-R2606 PolarHBondContact O-N 3.12Å; F2604-R2606 PolarHBondContact O-N 3.18Å; R2606-Q2630 HydrophobicContact CB-CG 4.25Å; R2606-Q2630 HydrophobicContact CG-CG 4.49Å; R2606-Q2630 WeakPolarHBondContact O-CA 3.2Å; R2606-Q2630 WeakPolarHBondContact O-CB 3.15Å; R2606-Q2630 PolarHBondContact O-N 2.9Å; R2606-L2631 PolarHBondContact O-N 3.16Å | ||
| 2607 | Q | 91 | Very high | 91.1 | Very high | 87.5 Ų | 87.5 | 39.1 Ų | 39.1 | 41% | 0.409 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 128.5 | -177 | -60.7 | -167.6 | -1.5 | 0 | 0 | 110 | L2582 L2583 L2584 L2631 | L2582-Q2607 PolarHBondContact O-N 3.12Å; L2583-Q2607 WeakPolarHBondContact CA-O 3.3Å; L2583-Q2607 HydrophobicContact CD1-CB 3.59Å; L2584-Q2607 PolarHBondContact N-O 2.95Å; Q2607-L2631 WeakPolarHBondContact CA-O 3.4Å; Q2607-L2631 HydrophobicContact CG-CB 4.12Å |
| 2608 | L | 94.6 | Very high | 91.4 | Very high | 0.5 Ų | 0.5 | 37.7 Ų | 37.7 | 0% | 0.003 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 118.2 | 177.9 | 178.9 | 54.1 | 0 | 0 | 0 | 108.5 | L2584 L2586 L2599 L2605 M2610 L2626 L2629 L2631 L2632 D2633 | L2584-L2608 HydrophobicContact CB-CD1 4.03Å; L2584-L2608 HydrophobicContact CD2-CD1 3.98Å; L2584-L2608 HydrophobicContact CG-CD1 3.94Å; L2584-L2608 WeakPolarHBondContact O-CA 3.39Å; L2586-L2608 HydrophobicContact CD1-CD1 4.44Å; L2599-L2608 HydrophobicContact CD1-CD2 4.09Å; L2599-L2608 HydrophobicContact CD2-CD2 4.34Å; L2605-L2608 HydrophobicContact CD2-CB 3.9Å; L2605-L2608 HydrophobicContact CD2-CD1 4.35Å; L2605-L2608 HydrophobicContact CD2-CD2 4.15Å; L2605-L2608 HydrophobicContact CD2-CG 4.37Å; L2608-M2610 HydrophobicContact CD1-CE 4.27Å; L2608-M2610 HydrophobicContact CD1-CG 4.3Å; L2608-M2610 HydrophobicContact CD1-SD 4.35Å; L2608-M2610 HydrophobicContact CD2-CE 3.63Å; L2608-M2610 HydrophobicContact CD2-SD 4.21Å; L2608-M2610 HydrophobicContact CG-CE 3.9Å; L2608-M2610 HydrophobicContact CG-CG 4.42Å; L2608-M2610 HydrophobicContact CG-SD 4.35Å; L2608-L2626 HydrophobicContact CD2-CD1 3.72Å; L2608-L2629 HydrophobicContact CB-CD1 4.01Å; L2608-L2631 PolarHBondContact N-O 3.26Å; L2608-L2632 HydrophobicContact CB-CD1 4.18Å; L2608-L2632 HydrophobicContact CD2-CD1 4.04Å; L2608-L2632 HydrophobicContact CG-CD1 4.07Å; L2608-L2632 CarbonylContact O-C 3.42Å; L2608-L2632 WeakPolarHBondContact O-CA 3.3Å; L2608-D2633 PolarHBondContact O-N 3.23Å |
| 2609 | S | 95.1 | Very high | 91.3 | Very high | 10.5 Ų | 10.5 | 42.3 Ų | 42.3 | 7% | 0.073 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 131.6 | 166.6 | -179.4 | 0 | 0 | 0 | 0 | 110.3 | L2584 L2586 G2587 A2611 D2633 | L2584-S2609 PolarHBondContact O-N 3.13Å; L2584-S2609 VanDerWaalsContact O-N 3.15Å; L2586-S2609 CarbonylContact C-O 3.36Å; L2586-S2609 WeakPolarHBondContact CA-O 3.49Å; L2586-S2609 WeakPolarHBondContact CB-O 3.19Å; L2586-S2609 PolarHBondContact N-O 2.99Å; G2587-S2609 PolarHBondContact N-O 3.21Å; S2609-A2611 WeakPolarHBondContact OG-CB 3.1Å; S2609-A2611 PolarHBondContact OG-N 3.18Å; S2609-D2633 WeakPolarHBondContact CB-OD2 3.44Å; S2609-D2633 PolarHBondContact OG-OD2 2.8Å |
| 2610 | M | 95.1 | Very high | 91 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -126.2 | 30.9 | 166.7 | -58.1 | 176.1 | -111.1 | 0 | 0 | 109.5 | L2586 L2591 I2594 L2599 L2608 N2613 I2615 F2623 L2632 D2633 L2634 N2637 | L2586-M2610 HydrophobicContact CB-CG 4.12Å; L2586-M2610 HydrophobicContact CD1-CG 4.38Å; L2591-M2610 HydrophobicContact CD1-SD 4.35Å; I2594-M2610 HydrophobicContact CD1-CE 3.82Å; I2594-M2610 HydrophobicContact CD1-SD 3.77Å; I2594-M2610 VanDerWaalsContact CD1-SD 3.57Å; I2594-M2610 HydrophobicContact CG1-SD 4.17Å; I2594-M2610 HydrophobicContact CG2-CE 4.4Å; L2599-M2610 HydrophobicContact CD1-CE 3.86Å; L2599-M2610 HydrophobicContact CD2-CE 3.96Å; L2599-M2610 HydrophobicContact CG-CE 4.48Å; L2608-M2610 HydrophobicContact CD1-CE 4.27Å; L2608-M2610 HydrophobicContact CD1-CG 4.3Å; L2608-M2610 HydrophobicContact CD1-SD 4.35Å; L2608-M2610 HydrophobicContact CD2-CE 3.63Å; L2608-M2610 HydrophobicContact CD2-SD 4.21Å; L2608-M2610 HydrophobicContact CG-CE 3.9Å; L2608-M2610 HydrophobicContact CG-CG 4.42Å; L2608-M2610 HydrophobicContact CG-SD 4.35Å; M2610-N2613 PolarHBondContact O-ND2 3.45Å; M2610-N2613 VanDerWaalsContact O-ND2 3.14Å; M2610-I2615 HydrophobicContact CB-CD1 3.89Å; M2610-I2615 HydrophobicContact SD-CD1 3.98Å; M2610-F2623 HydrophobicContact CE-CE1 4.14Å; M2610-F2623 HydrophobicContact CE-CZ 4.39Å; M2610-L2632 HydrophobicContact CE-CD1 3.82Å; M2610-D2633 PolarHBondContact N-O 2.9Å; M2610-L2634 HydrophobicContact CB-CD2 4.21Å; M2610-L2634 HydrophobicContact CE-CD2 3.8Å; M2610-L2634 HydrophobicContact SD-CD2 4.49Å; M2610-N2637 PolarHBondContact O-ND2 2.93Å | ||
| 2611 | A | 92.9 | Very high | 90.8 | Very high | 5.5 Ų | 5.5 | 48.7 Ų | 48.7 | 5% | 0.045 | 25% | 0.247 | C | C | . | . | trans | -59.1 | 154.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G2587 Q2588 S2609 N2613 D2633 S2635 | G2587-A2611 CarbonylContact C-O 3.37Å; G2587-A2611 WeakPolarHBondContact CA-O 3.29Å; Q2588-A2611 PolarHBondContact N-O 3.03Å; S2609-A2611 WeakPolarHBondContact OG-CB 3.1Å; S2609-A2611 PolarHBondContact OG-N 3.18Å; A2611-N2613 VanDerWaalsContact C-N 3.34Å; A2611-N2613 PolarHBondContact O-N 3.21Å; A2611-N2613 PolarHBondContact O-ND2 3.05Å; A2611-N2613 VanDerWaalsContact O-ND2 3.15Å; A2611-D2633 VanDerWaalsContact CB-OD2 3.32Å; A2611-D2633 WeakPolarHBondContact CB-OD2 3.26Å; A2611-D2633 PolarHBondContact N-O 2.85Å; A2611-S2635 CarbonylContact C-O 3.52Å; A2611-S2635 WeakPolarHBondContact CA-O 3.36Å; A2611-S2635 VanDerWaalsContact CB-OG 3.31Å; A2611-S2635 WeakPolarHBondContact CB-OG 3.3Å | ||
| 2612 | N | 92.8 | Very high | 90.9 | Very high | 80.5 Ų | 80.5 | 47.2 Ų | 47.2 | 43% | 0.43 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 52.6 | 51.6 | 176.2 | -59.3 | -57.4 | 0 | 0 | 0 | 112.3 | Q2588 N2589 S2635 G2636 P2700 | Q2588-N2612 VanDerWaalsContact CA-O 3.25Å; Q2588-N2612 WeakPolarHBondContact CA-O 3.4Å; Q2588-N2612 HydrophobicContact CG-CB 4.06Å; Q2588-N2612 PolarHBondContact N-O 3.04Å; N2589-N2612 PolarHBondContact N-O 3.07Å; N2612-S2635 PolarHBondContact N-O 3.04Å; N2612-G2636 VanDerWaalsContact CA-O 3.25Å; N2612-G2636 WeakPolarHBondContact CA-O 3.35Å; N2612-P2700 WeakPolarHBondContact O-CG 3.48Å |
| 2613 | N | 93.8 | Very high | 90.8 | Very high | 6 Ų | 6 | 47.1 Ų | 47.1 | 3% | 0.032 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -116.8 | -172.6 | 173 | -86.5 | -100 | 0 | 0 | 0 | 109.6 | L2586 N2589 L2591 M2610 A2611 I2615 N2637 | L2586-N2613 PolarHBondContact O-ND2 3.01Å; N2589-N2613 WeakPolarHBondContact CA-OD1 3.41Å; N2589-N2613 WeakPolarHBondContact CB-OD1 3.33Å; N2589-N2613 PolarHBondContact N-ND2 3.04Å; N2589-N2613 PolarHBondContact O-OD1 3Å; N2589-N2613 VanDerWaalsContact O-OD1 3.11Å; L2591-N2613 HydrophobicContact CB-CB 4.35Å; L2591-N2613 VanDerWaalsContact CB-OD1 3.31Å; L2591-N2613 WeakPolarHBondContact CB-OD1 3.18Å; L2591-N2613 WeakPolarHBondContact CG-OD1 3.35Å; L2591-N2613 PolarHBondContact N-OD1 3.14Å; L2591-N2613 VanDerWaalsContact N-OD1 3.08Å; M2610-N2613 PolarHBondContact O-ND2 3.45Å; M2610-N2613 VanDerWaalsContact O-ND2 3.14Å; A2611-N2613 VanDerWaalsContact C-N 3.34Å; A2611-N2613 PolarHBondContact O-N 3.21Å; A2611-N2613 PolarHBondContact O-ND2 3.05Å; A2611-N2613 VanDerWaalsContact O-ND2 3.15Å; N2613-I2615 HydrophobicContact CB-CD1 4Å; N2613-I2615 HydrophobicContact CB-CG1 3.85Å; N2613-N2637 WeakPolarHBondContact CA-OD1 3.3Å; N2613-N2637 WeakPolarHBondContact CB-OD1 3.2Å; N2613-N2637 PolarHBondContact N-OD1 3.18Å; N2613-N2637 PolarHBondContact O-OD1 3.22Å |
| 2614 | N | 92.3 | Very high | 90.6 | Very high | 8 Ų | 8 | 47.4 Ų | 47.4 | 4% | 0.043 | 23% | 0.232 | C | C | . | . | trans | -101 | 25.1 | 176.7 | -78.8 | -79.7 | 0 | 0 | 0 | 112.5 | L2591 T2592 K2616 K2638 R2698 | L2591-N2614 CarbonylContact O-C 3.44Å; L2591-N2614 VanDerWaalsContact O-CA 3.26Å; L2591-N2614 WeakPolarHBondContact O-CA 3.44Å; L2591-N2614 WeakPolarHBondContact O-CB 3.25Å; L2591-N2614 PolarHBondContact O-N 3.29Å; T2592-N2614 WeakPolarHBondContact CA-O 3.41Å; T2592-N2614 HydrophobicContact CG2-CB 4.24Å; N2614-K2616 PolarHBondContact O-N 3.16Å; N2614-K2638 WeakPolarHBondContact OD1-CE 3.26Å; N2614-K2638 PolarHBondContact OD1-NZ 3.26Å; N2614-R2698 PolarHBondContact ND2-O 3.05Å; N2614-R2698 VanDerWaalsContact ND2-O 3.11Å; N2614-R2698 PolarHBondContact OD1-O 2.91Å | ||
| 2615 | I | 93.6 | Very high | 90.3 | Very high | 0.5 Ų | 0.5 | 42.9 Ų | 42.9 | 0% | 0.003 | 22% | 0.215 | C | C | . | . | trans | -70.2 | 116.3 | -167.7 | -56.3 | 170.2 | 0 | 0 | 0 | 110.1 | L2591 T2592 I2594 M2610 N2613 I2618 L2634 N2637 K2638 L2639 | L2591-I2615 HydrophobicContact CB-CD1 4.37Å; L2591-I2615 HydrophobicContact CB-CG1 4.09Å; L2591-I2615 WeakPolarHBondContact O-CG1 3.33Å; L2591-I2615 PolarHBondContact O-N 2.66Å; L2591-I2615 VanDerWaalsContact O-N 3.14Å; T2592-I2615 WeakPolarHBondContact O-CA 3.32Å; I2594-I2615 HydrophobicContact CD1-CD1 4.05Å; I2594-I2615 HydrophobicContact CD1-CG2 4.22Å; I2594-I2615 HydrophobicContact CG1-CD1 4.02Å; I2594-I2615 HydrophobicContact CG1-CG2 3.95Å; M2610-I2615 HydrophobicContact CB-CD1 3.89Å; M2610-I2615 HydrophobicContact SD-CD1 3.98Å; N2613-I2615 HydrophobicContact CB-CD1 4Å; N2613-I2615 HydrophobicContact CB-CG1 3.85Å; I2615-I2618 HydrophobicContact CG2-CG1 4.15Å; I2615-L2634 HydrophobicContact CD1-CD2 4.47Å; I2615-N2637 HydrophobicContact CB-CB 4.36Å; I2615-N2637 WeakPolarHBondContact CB-OD1 3.28Å; I2615-N2637 VanDerWaalsContact CG1-OD1 3.27Å; I2615-N2637 WeakPolarHBondContact CG1-OD1 3.39Å; I2615-N2637 PolarHBondContact N-OD1 3.23Å; I2615-K2638 CarbonylContact O-C 3.41Å; I2615-K2638 WeakPolarHBondContact O-CA 3.43Å; I2615-K2638 PolarHBondContact O-N 3.17Å; I2615-L2639 HydrophobicContact CG2-CD2 3.9Å; I2615-L2639 WeakPolarHBondContact O-CD2 3.2Å; I2615-L2639 PolarHBondContact O-N 3.17Å | ||
| 2616 | K | 91 | Very high | 90.2 | Very high | 77.5 Ų | 77.5 | 42.9 Ų | 42.9 | 34% | 0.337 | 22% | 0.215 | S | C | . | . | trans | -102.8 | -39.8 | 176.3 | -67.6 | 173.5 | -175.4 | 175.8 | 0 | 112.7 | T2592 N2614 K2638 D2697 | T2592-K2616 PolarHBondContact O-N 3.08Å; N2614-K2616 PolarHBondContact O-N 3.16Å; K2616-K2638 WeakPolarHBondContact CA-O 3.5Å; K2616-K2638 HydrophobicContact CG-CB 3.7Å; K2616-D2697 WeakPolarHBondContact CE-OD1 3.45Å; K2616-D2697 IonicContact NZ-OD1 3.01Å; K2616-D2697 PolarHBondContact NZ-OD1 3.35Å; K2616-D2697 IonicContact NZ-OD2 2.95Å; K2616-D2697 PolarHBondContact NZ-OD2 3.2Å | ||
| 2617 | N | 89.8 | Confident | 89.9 | Confident | 127 Ų | 127 | 40.8 Ų | 40.8 | 68% | 0.679 | 22% | 0.222 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 131.8 | -171.1 | -66.9 | -58.7 | 0 | 0 | 0 | 111.2 | G2593 I2594 | G2593-N2617 CarbonylContact C-O 3.46Å; G2593-N2617 WeakPolarHBondContact CA-O 3.33Å; I2594-N2617 PolarHBondContact N-O 3.06Å |
| 2618 | I | 91.9 | Very high | 89.7 | Confident | 16 Ų | 16 | 40.7 Ų | 40.7 | 8% | 0.082 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 122.2 | 172.5 | -52.8 | 178 | 0 | 0 | 0 | 107.5 | I2594 I2615 A2622 F2623 L2634 L2639 T2646 | I2594-I2618 HydrophobicContact CB-CG1 4.45Å; I2594-I2618 HydrophobicContact CB-CG2 4.14Å; I2594-I2618 HydrophobicContact CD1-CD1 4.08Å; I2594-I2618 HydrophobicContact CD1-CG1 3.99Å; I2594-I2618 HydrophobicContact CD1-CG2 4.36Å; I2594-I2618 HydrophobicContact CG1-CG1 4.37Å; I2615-I2618 HydrophobicContact CG2-CG1 4.15Å; I2618-A2622 HydrophobicContact CG2-CB 3.9Å; I2618-F2623 HydrophobicContact CD1-CE2 4.38Å; I2618-F2623 HydrophobicContact CD1-CZ 4.38Å; I2618-F2623 HydrophobicContact CG2-CE2 3.87Å; I2618-F2623 HydrophobicContact CG2-CZ 4.06Å; I2618-L2634 HydrophobicContact CD1-CD1 3.91Å; I2618-L2634 HydrophobicContact CD1-CD2 4.41Å; I2618-L2639 HydrophobicContact CD1-CD1 4.06Å; I2618-L2639 HydrophobicContact CD1-CD2 3.8Å; I2618-L2639 HydrophobicContact CG1-CD2 3.81Å; I2618-T2646 HydrophobicContact CB-CG2 4.15Å; I2618-T2646 HydrophobicContact CG2-CG2 3.34Å |
| 2619 | Q | 88.3 | Confident | 89.4 | Confident | 102 Ų | 102 | 41.2 Ų | 41.2 | 48% | 0.477 | 23% | 0.227 | S | C | . | . | trans | -60.7 | 146.1 | 178.3 | -73.6 | -175.2 | -16.6 | 0 | 0 | 111.2 | I2594 S2595 F2621 A2622 T2646 | I2594-Q2619 PolarHBondContact O-N 3.08Å; S2595-Q2619 VanDerWaalsContact CA-OE1 3.28Å; S2595-Q2619 VanDerWaalsContact CB-OE1 3.28Å; Q2619-F2621 PolarHBondContact O-N 2.88Å; Q2619-A2622 HydrophobicContact CB-CB 4.35Å; Q2619-A2622 VanDerWaalsContact O-CB 3.27Å; Q2619-A2622 WeakPolarHBondContact O-CB 3.33Å; Q2619-A2622 PolarHBondContact O-N 3.27Å; Q2619-T2646 PolarHBondContact O-OG1 3.04Å | ||
| 2620 | P | 83.2 | Confident | 88.9 | Confident | 69 Ų | 69 | 44.5 Ų | 44.5 | 45% | 0.448 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | 139.6 | 165.6 | -24.5 | 34.5 | 0 | 0 | 0 | 110.1 | A2622 | P2620-A2622 PolarHBondContact O-N 3.19Å; P2620-A2622 VanDerWaalsContact O-N 3.09Å |
| 2621 | F | 83.4 | Confident | 88.5 | Confident | 113 Ų | 113 | 47 Ų | 47 | 50% | 0.496 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 9.3 | 179.2 | -46.8 | -68.5 | 0 | 0 | 0 | 116.3 | Q2619 F2623 T2624 A2645 | Q2619-F2621 PolarHBondContact O-N 2.88Å; F2621-F2623 PolarHBondContact O-N 3.23Å; F2621-F2623 VanDerWaalsContact O-N 3.09Å; F2621-T2624 VanDerWaalsContact CA-OG1 3.28Å; F2621-T2624 WeakPolarHBondContact CA-OG1 3.23Å; F2621-T2624 VanDerWaalsContact CB-OG1 3.28Å; F2621-T2624 WeakPolarHBondContact CB-OG1 3.35Å; F2621-T2624 VanDerWaalsContact O-CB 3.29Å; F2621-T2624 WeakPolarHBondContact O-CB 3.36Å; F2621-T2624 PolarHBondContact O-N 3.32Å; F2621-T2624 PolarHBondContact O-OG1 2.93Å; F2621-A2645 HydrophobicContact CE1-CB 4.28Å; F2621-A2645 HydrophobicContact CZ-CB 4.46Å |
| 2622 | A | 87.2 | Confident | 88.4 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -35.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | I2594 I2618 Q2619 P2620 | I2594-A2622 HydrophobicContact CG2-CB 4.11Å; I2618-A2622 HydrophobicContact CG2-CB 3.9Å; Q2619-A2622 HydrophobicContact CB-CB 4.35Å; Q2619-A2622 VanDerWaalsContact O-CB 3.27Å; Q2619-A2622 WeakPolarHBondContact O-CB 3.33Å; Q2619-A2622 PolarHBondContact O-N 3.27Å; P2620-A2622 PolarHBondContact O-N 3.19Å; P2620-A2622 VanDerWaalsContact O-N 3.09Å |
| 2623 | F | 89 | Confident | 88.4 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 9.6 | -178.7 | -53.4 | -59 | 0 | 0 | 0 | 114.7 | I2594 L2599 M2610 I2618 F2621 S2625 L2626 L2632 L2634 T2646 L2647 N2650 | I2594-F2623 HydrophobicContact CD1-CE1 3.97Å; I2594-F2623 HydrophobicContact CD1-CZ 3.62Å; I2594-F2623 HydrophobicContact CG2-CE1 4.1Å; I2594-F2623 HydrophobicContact CG2-CZ 4.48Å; L2599-F2623 HydrophobicContact CD1-CD1 3.63Å; L2599-F2623 HydrophobicContact CD1-CE1 3.73Å; M2610-F2623 HydrophobicContact CE-CE1 4.14Å; M2610-F2623 HydrophobicContact CE-CZ 4.39Å; I2618-F2623 HydrophobicContact CD1-CE2 4.38Å; I2618-F2623 HydrophobicContact CD1-CZ 4.38Å; I2618-F2623 HydrophobicContact CG2-CE2 3.87Å; I2618-F2623 HydrophobicContact CG2-CZ 4.06Å; F2621-F2623 PolarHBondContact O-N 3.23Å; F2621-F2623 VanDerWaalsContact O-N 3.09Å; F2623-S2625 PolarHBondContact O-N 3.16Å; F2623-L2626 HydrophobicContact CB-CD1 4.26Å; F2623-L2626 HydrophobicContact CD1-CD1 3.93Å; F2623-L2626 WeakPolarHBondContact O-CB 3.45Å; F2623-L2626 PolarHBondContact O-N 2.89Å; F2623-L2632 HydrophobicContact CD1-CD2 4.34Å; F2623-L2632 HydrophobicContact CD2-CD2 3.98Å; F2623-L2632 HydrophobicContact CE1-CD1 4.21Å; F2623-L2632 HydrophobicContact CE1-CD2 4.21Å; F2623-L2632 HydrophobicContact CE2-CD2 3.7Å; F2623-L2632 HydrophobicContact CG-CD2 4.36Å; F2623-L2632 HydrophobicContact CZ-CD1 4.31Å; F2623-L2632 HydrophobicContact CZ-CD2 3.81Å; F2623-L2634 HydrophobicContact CZ-CD1 4.27Å; F2623-L2634 HydrophobicContact CZ-CD2 4.47Å; F2623-T2646 HydrophobicContact CD2-CG2 3.87Å; F2623-T2646 HydrophobicContact CE2-CG2 3.84Å; F2623-L2647 HydrophobicContact CD2-CD2 4.23Å; F2623-L2647 HydrophobicContact CE2-CD2 4.14Å; F2623-N2650 VanDerWaalsContact CB-ND2 3.27Å; F2623-N2650 WeakPolarHBondContact CB-ND2 3.33Å; F2623-N2650 PolarHBondContact O-ND2 3.36Å; F2623-N2650 VanDerWaalsContact O-ND2 3.08Å |
| 2624 | T | 84.8 | Confident | 88.3 | Confident | 62 Ų | 62 | 44 Ų | 44 | 38% | 0.38 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -22 | -173.6 | -51.1 | 0 | 0 | 0 | 0 | 113.5 | F2621 L2626 P2649 | F2621-T2624 VanDerWaalsContact CA-OG1 3.28Å; F2621-T2624 WeakPolarHBondContact CA-OG1 3.23Å; F2621-T2624 VanDerWaalsContact CB-OG1 3.28Å; F2621-T2624 WeakPolarHBondContact CB-OG1 3.35Å; F2621-T2624 VanDerWaalsContact O-CB 3.29Å; F2621-T2624 WeakPolarHBondContact O-CB 3.36Å; F2621-T2624 PolarHBondContact O-N 3.32Å; F2621-T2624 PolarHBondContact O-OG1 2.93Å; T2624-L2626 VanDerWaalsContact C-N 3.26Å; T2624-L2626 PolarHBondContact O-N 2.98Å; T2624-P2649 HydrophobicContact CG2-CB 4.34Å; T2624-P2649 HydrophobicContact CG2-CG 4.27Å; T2624-P2649 WeakPolarHBondContact OG1-CG 3.12Å |
| 2625 | S | 84.3 | Confident | 88.3 | Confident | 23.5 Ų | 23.5 | 44.5 Ų | 44.5 | 16% | 0.164 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -21.5 | 172.5 | 53.2 | 0 | 0 | 0 | 0 | 113.5 | L2599 P2603 F2623 A2627 | L2599-S2625 WeakPolarHBondContact O-CB 3.45Å; L2599-S2625 PolarHBondContact O-OG 3.15Å; P2603-S2625 WeakPolarHBondContact CA-O 3.36Å; F2623-S2625 PolarHBondContact O-N 3.16Å; S2625-A2627 VanDerWaalsContact C-N 3.32Å; S2625-A2627 PolarHBondContact O-N 3.33Å; S2625-A2627 VanDerWaalsContact O-N 3.12Å |
| 2626 | L | 89.8 | Confident | 88 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | trans | -91.9 | 49.7 | -167.2 | -51.5 | -176.4 | 0 | 0 | 0 | 112.5 | L2599 L2602 L2605 L2608 F2623 T2624 N2628 L2629 N2650 | L2599-L2626 HydrophobicContact CB-CD2 4.4Å; L2599-L2626 HydrophobicContact CD1-CD1 4.22Å; L2602-L2626 HydrophobicContact CB-CD2 3.53Å; L2602-L2626 VanDerWaalsContact CB-CD2 3.5Å; L2602-L2626 HydrophobicContact CD1-CD2 4.26Å; L2605-L2626 HydrophobicContact CB-CD2 4.27Å; L2605-L2626 HydrophobicContact CD2-CD1 4.33Å; L2605-L2626 HydrophobicContact CD2-CD2 3.93Å; L2608-L2626 HydrophobicContact CD2-CD1 3.72Å; F2623-L2626 HydrophobicContact CB-CD1 4.26Å; F2623-L2626 HydrophobicContact CD1-CD1 3.93Å; F2623-L2626 WeakPolarHBondContact O-CB 3.45Å; F2623-L2626 PolarHBondContact O-N 2.89Å; T2624-L2626 VanDerWaalsContact C-N 3.26Å; T2624-L2626 PolarHBondContact O-N 2.98Å; L2626-N2628 PolarHBondContact O-N 2.9Å; L2626-L2629 HydrophobicContact CB-CB 4.11Å; L2626-L2629 HydrophobicContact CB-CD2 4.28Å; L2626-L2629 HydrophobicContact CD1-CD1 4.33Å; L2626-L2629 HydrophobicContact CD1-CD2 3.92Å; L2626-L2629 VanDerWaalsContact O-CB 3.31Å; L2626-L2629 WeakPolarHBondContact O-CB 3.39Å; L2626-L2629 PolarHBondContact O-N 3.04Å; L2626-N2650 PolarHBondContact O-OD1 3.02Å | ||
| 2627 | A | 84.1 | Confident | 88.1 | Confident | 68.5 Ų | 68.5 | 41.7 Ų | 41.7 | 57% | 0.566 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -9.2 | -168.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | S2625 | S2625-A2627 VanDerWaalsContact C-N 3.32Å; S2625-A2627 PolarHBondContact O-N 3.33Å; S2625-A2627 VanDerWaalsContact O-N 3.12Å |
| 2628 | N | 86.3 | Confident | 88.1 | Confident | 84.5 Ų | 84.5 | 37.7 Ų | 37.7 | 45% | 0.452 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | 13.1 | 177.5 | -73.5 | -76.5 | 0 | 0 | 0 | 113.8 | P2603 L2605 L2626 Q2630 | P2603-N2628 PolarHBondContact O-ND2 3.41Å; L2605-N2628 CarbonylContact O-C 3.52Å; L2626-N2628 PolarHBondContact O-N 2.9Å; N2628-Q2630 WeakPolarHBondContact O-CG 3.47Å; N2628-Q2630 PolarHBondContact O-N 2.99Å |
| 2629 | L | 88 | Confident | 87.9 | Confident | 10.5 Ų | 10.5 | 36.9 Ų | 36.9 | 6% | 0.055 | 21% | 0.207 | C | C | . | . | trans | -63.4 | 133.9 | -174.9 | -159.9 | 66.9 | 0 | 0 | 0 | 111.8 | L2605 L2608 L2626 L2632 N2650 S2653 | L2605-L2629 HydrophobicContact CD2-CD1 4.32Å; L2605-L2629 HydrophobicContact CG-CD1 4.43Å; L2605-L2629 WeakPolarHBondContact O-CA 3.48Å; L2605-L2629 PolarHBondContact O-N 3.41Å; L2608-L2629 HydrophobicContact CB-CD1 4.01Å; L2626-L2629 HydrophobicContact CB-CB 4.11Å; L2626-L2629 HydrophobicContact CB-CD2 4.28Å; L2626-L2629 HydrophobicContact CD1-CD1 4.33Å; L2626-L2629 HydrophobicContact CD1-CD2 3.92Å; L2626-L2629 VanDerWaalsContact O-CB 3.31Å; L2626-L2629 WeakPolarHBondContact O-CB 3.39Å; L2626-L2629 PolarHBondContact O-N 3.04Å; L2629-L2632 HydrophobicContact CD2-CB 3.9Å; L2629-L2632 HydrophobicContact CD2-CD1 4.41Å; L2629-L2632 HydrophobicContact CD2-CD2 4.34Å; L2629-L2632 HydrophobicContact CD2-CG 4.42Å; L2629-N2650 WeakPolarHBondContact CD2-ND2 3.01Å; L2629-S2653 VanDerWaalsContact C-OG 3.27Å; L2629-S2653 PolarHBondContact O-OG 2.98Å | ||
| 2630 | Q | 86.3 | Confident | 87.7 | Confident | 79.5 Ų | 79.5 | 37.4 Ų | 37.4 | 37% | 0.371 | 21% | 0.213 | S | C | . | . | trans | -117.6 | -35.9 | -178.7 | -58.6 | -173.7 | -37.9 | 0 | 0 | 111.4 | R2606 N2628 S2653 T2654 | R2606-Q2630 HydrophobicContact CB-CG 4.25Å; R2606-Q2630 HydrophobicContact CG-CG 4.49Å; R2606-Q2630 WeakPolarHBondContact O-CA 3.2Å; R2606-Q2630 WeakPolarHBondContact O-CB 3.15Å; R2606-Q2630 PolarHBondContact O-N 2.9Å; N2628-Q2630 WeakPolarHBondContact O-CG 3.47Å; N2628-Q2630 PolarHBondContact O-N 2.99Å; Q2630-S2653 CarbonylContact O-C 3.28Å; Q2630-S2653 WeakPolarHBondContact O-CA 3.43Å; Q2630-T2654 PolarHBondContact O-N 3Å | ||
| 2631 | L | 86.3 | Confident | 87.6 | Confident | 54.5 Ų | 54.5 | 37.7 Ų | 37.7 | 29% | 0.285 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 128.9 | 176.1 | -171.8 | 151.4 | 0 | 0 | 0 | 110.1 | R2606 Q2607 L2608 D2633 T2654 | R2606-L2631 PolarHBondContact O-N 3.16Å; Q2607-L2631 WeakPolarHBondContact CA-O 3.4Å; Q2607-L2631 HydrophobicContact CG-CB 4.12Å; L2608-L2631 PolarHBondContact N-O 3.26Å; L2631-D2633 HydrophobicContact CD2-CB 3.95Å; L2631-T2654 CarbonylContact C-O 3.33Å; L2631-T2654 WeakPolarHBondContact CA-O 3.42Å |
| 2632 | L | 91.2 | Very high | 87.3 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 113.5 | 172.2 | 176 | 57.5 | 0 | 0 | 0 | 108.4 | L2608 M2610 F2623 L2629 L2634 L2647 T2654 V2655 I2656 | L2608-L2632 HydrophobicContact CB-CD1 4.18Å; L2608-L2632 HydrophobicContact CD2-CD1 4.04Å; L2608-L2632 HydrophobicContact CG-CD1 4.07Å; L2608-L2632 CarbonylContact O-C 3.42Å; L2608-L2632 WeakPolarHBondContact O-CA 3.3Å; M2610-L2632 HydrophobicContact CE-CD1 3.82Å; F2623-L2632 HydrophobicContact CD1-CD2 4.34Å; F2623-L2632 HydrophobicContact CD2-CD2 3.98Å; F2623-L2632 HydrophobicContact CE1-CD1 4.21Å; F2623-L2632 HydrophobicContact CE1-CD2 4.21Å; F2623-L2632 HydrophobicContact CE2-CD2 3.7Å; F2623-L2632 HydrophobicContact CG-CD2 4.36Å; F2623-L2632 HydrophobicContact CZ-CD1 4.31Å; F2623-L2632 HydrophobicContact CZ-CD2 3.81Å; L2629-L2632 HydrophobicContact CD2-CB 3.9Å; L2629-L2632 HydrophobicContact CD2-CD1 4.41Å; L2629-L2632 HydrophobicContact CD2-CD2 4.34Å; L2629-L2632 HydrophobicContact CD2-CG 4.42Å; L2632-L2634 HydrophobicContact CD1-CD2 4.14Å; L2632-L2634 HydrophobicContact CD1-CG 4.24Å; L2632-L2634 HydrophobicContact CD2-CD1 4.08Å; L2632-L2634 HydrophobicContact CG-CD1 4.17Å; L2632-L2634 HydrophobicContact CG-CG 4.11Å; L2632-L2647 HydrophobicContact CD2-CD2 4.28Å; L2632-T2654 PolarHBondContact N-O 3.29Å; L2632-V2655 HydrophobicContact CB-CG1 4.33Å; L2632-V2655 HydrophobicContact CB-CG2 4.33Å; L2632-V2655 HydrophobicContact CD2-CG1 4.11Å; L2632-V2655 HydrophobicContact CD2-CG2 4.45Å; L2632-V2655 HydrophobicContact CG-CG1 4.2Å; L2632-V2655 CarbonylContact O-C 3.34Å; L2632-V2655 VanDerWaalsContact O-CA 3.22Å; L2632-V2655 WeakPolarHBondContact O-CA 3.49Å; L2632-I2656 PolarHBondContact O-N 3.03Å |
| 2633 | D | 91.9 | Very high | 86.6 | Confident | 26 Ų | 26 | 40 Ų | 40 | 14% | 0.139 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 115.6 | 179.7 | 170.9 | 26.8 | 0 | 0 | 0 | 110.3 | L2608 S2609 M2610 A2611 L2631 S2635 I2656 | L2608-D2633 PolarHBondContact O-N 3.23Å; S2609-D2633 WeakPolarHBondContact CB-OD2 3.44Å; S2609-D2633 PolarHBondContact OG-OD2 2.8Å; M2610-D2633 PolarHBondContact N-O 2.9Å; A2611-D2633 VanDerWaalsContact CB-OD2 3.32Å; A2611-D2633 WeakPolarHBondContact CB-OD2 3.26Å; A2611-D2633 PolarHBondContact N-O 2.85Å; L2631-D2633 HydrophobicContact CD2-CB 3.95Å; D2633-S2635 VanDerWaalsContact OD1-CB 3.28Å; D2633-S2635 WeakPolarHBondContact OD1-CB 3.35Å; D2633-S2635 PolarHBondContact OD1-N 2.77Å; D2633-S2635 VanDerWaalsContact OD1-N 3.07Å; D2633-S2635 PolarHBondContact OD1-OG 3.13Å; D2633-I2656 HydrophobicContact CB-CB 4.43Å; D2633-I2656 HydrophobicContact CB-CD1 4.38Å |
| 2634 | L | 92.7 | Very high | 85.6 | Confident | 0.5 Ų | 0.5 | 45 Ų | 45 | 0% | 0.003 | 26% | 0.262 | C | S | . | . | trans | -120.7 | 19.1 | 179 | -65.8 | 169.9 | 0 | 0 | 0 | 110.6 | I2594 M2610 I2615 I2618 F2623 L2632 N2637 L2639 V2655 I2656 L2657 N2660 | I2594-L2634 HydrophobicContact CD1-CD2 3.94Å; M2610-L2634 HydrophobicContact CB-CD2 4.21Å; M2610-L2634 HydrophobicContact CE-CD2 3.8Å; M2610-L2634 HydrophobicContact SD-CD2 4.49Å; I2615-L2634 HydrophobicContact CD1-CD2 4.47Å; I2618-L2634 HydrophobicContact CD1-CD1 3.91Å; I2618-L2634 HydrophobicContact CD1-CD2 4.41Å; F2623-L2634 HydrophobicContact CZ-CD1 4.27Å; F2623-L2634 HydrophobicContact CZ-CD2 4.47Å; L2632-L2634 HydrophobicContact CD1-CD2 4.14Å; L2632-L2634 HydrophobicContact CD1-CG 4.24Å; L2632-L2634 HydrophobicContact CD2-CD1 4.08Å; L2632-L2634 HydrophobicContact CG-CD1 4.17Å; L2632-L2634 HydrophobicContact CG-CG 4.11Å; L2634-N2637 WeakPolarHBondContact O-CB 3.29Å; L2634-N2637 PolarHBondContact O-ND2 2.98Å; L2634-N2637 VanDerWaalsContact O-ND2 3.12Å; L2634-L2639 HydrophobicContact CB-CD1 4.19Å; L2634-L2639 HydrophobicContact CD1-CD1 4.28Å; L2634-V2655 HydrophobicContact CD1-CG1 4.36Å; L2634-I2656 CarbonylContact C-O 3.39Å; L2634-I2656 WeakPolarHBondContact CA-O 3.29Å; L2634-I2656 WeakPolarHBondContact CB-O 3.31Å; L2634-I2656 PolarHBondContact N-O 3.05Å; L2634-L2657 HydrophobicContact CB-CD2 4.11Å; L2634-L2657 HydrophobicContact CD1-CD2 4.14Å; L2634-N2660 PolarHBondContact O-ND2 2.94Å | ||
| 2635 | S | 90.6 | Very high | 84.7 | Confident | 18.5 Ų | 18.5 | 44.2 Ų | 44.2 | 13% | 0.129 | 26% | 0.262 | C | S | . | . | trans | -61.8 | 156.6 | -178.3 | 58.4 | 0 | 0 | 0 | 0 | 112.8 | A2611 N2612 D2633 N2637 I2656 S2658 | A2611-S2635 CarbonylContact C-O 3.52Å; A2611-S2635 WeakPolarHBondContact CA-O 3.36Å; A2611-S2635 VanDerWaalsContact CB-OG 3.31Å; A2611-S2635 WeakPolarHBondContact CB-OG 3.3Å; N2612-S2635 PolarHBondContact N-O 3.04Å; D2633-S2635 VanDerWaalsContact OD1-CB 3.28Å; D2633-S2635 WeakPolarHBondContact OD1-CB 3.35Å; D2633-S2635 PolarHBondContact OD1-N 2.77Å; D2633-S2635 VanDerWaalsContact OD1-N 3.07Å; D2633-S2635 PolarHBondContact OD1-OG 3.13Å; S2635-N2637 VanDerWaalsContact C-N 3.31Å; S2635-N2637 PolarHBondContact O-N 3.03Å; S2635-N2637 PolarHBondContact O-ND2 3.2Å; S2635-I2656 PolarHBondContact N-O 2.96Å; S2635-S2658 CarbonylContact C-O 3.37Å; S2635-S2658 WeakPolarHBondContact CA-O 3.38Å; S2635-S2658 WeakPolarHBondContact CB-O 3.34Å; S2635-S2658 WeakPolarHBondContact CB-OG 3.21Å | ||
| 2636 | G | 89.1 | Confident | 84.1 | Confident | 18 Ų | 18 | 43.1 Ų | 43.1 | 19% | 0.186 | 25% | 0.254 | C | S | . | . | S | Bend | trans | 63.3 | 33.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | N2612 S2658 E2659 | N2612-G2636 VanDerWaalsContact CA-O 3.25Å; N2612-G2636 WeakPolarHBondContact CA-O 3.35Å; G2636-S2658 PolarHBondContact N-O 3.13Å; G2636-E2659 CarbonylContact C-O 3.46Å; G2636-E2659 WeakPolarHBondContact CA-O 3.31Å; G2636-E2659 PolarHBondContact N-O 3.12Å; G2636-E2659 VanDerWaalsContact N-O 3.15Å |
| 2637 | N | 91.3 | Very high | 83.1 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.011 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -114.2 | -171.9 | -178.3 | -86.4 | -80.6 | 0 | 0 | 0 | 111.4 | M2610 N2613 I2615 L2634 S2635 L2639 E2659 N2660 P2661 | M2610-N2637 PolarHBondContact O-ND2 2.93Å; N2613-N2637 WeakPolarHBondContact CA-OD1 3.3Å; N2613-N2637 WeakPolarHBondContact CB-OD1 3.2Å; N2613-N2637 PolarHBondContact N-OD1 3.18Å; N2613-N2637 PolarHBondContact O-OD1 3.22Å; I2615-N2637 HydrophobicContact CB-CB 4.36Å; I2615-N2637 WeakPolarHBondContact CB-OD1 3.28Å; I2615-N2637 VanDerWaalsContact CG1-OD1 3.27Å; I2615-N2637 WeakPolarHBondContact CG1-OD1 3.39Å; I2615-N2637 PolarHBondContact N-OD1 3.23Å; L2634-N2637 WeakPolarHBondContact O-CB 3.29Å; L2634-N2637 PolarHBondContact O-ND2 2.98Å; L2634-N2637 VanDerWaalsContact O-ND2 3.12Å; S2635-N2637 VanDerWaalsContact C-N 3.31Å; S2635-N2637 PolarHBondContact O-N 3.03Å; S2635-N2637 PolarHBondContact O-ND2 3.2Å; N2637-L2639 HydrophobicContact CB-CG 4.34Å; N2637-E2659 PolarHBondContact N-O 3.09Å; N2637-E2659 VanDerWaalsContact N-O 3.14Å; N2637-N2660 WeakPolarHBondContact CA-OD1 3.3Å; N2637-N2660 WeakPolarHBondContact CB-OD1 3.46Å; N2637-N2660 PolarHBondContact O-OD1 3.26Å; N2637-P2661 WeakPolarHBondContact O-CD 3.33Å |
| 2638 | K | 89.5 | Confident | 81.9 | Confident | 42 Ų | 42 | 42.8 Ų | 42.8 | 18% | 0.183 | 25% | 0.248 | C | C | . | . | trans | -114.6 | 33.7 | -175.1 | -61.1 | -175.7 | 177.9 | 179.9 | 0 | 111.9 | N2614 I2615 K2616 D2640 N2660 L2695 P2696 D2697 | N2614-K2638 WeakPolarHBondContact OD1-CE 3.26Å; N2614-K2638 PolarHBondContact OD1-NZ 3.26Å; I2615-K2638 CarbonylContact O-C 3.41Å; I2615-K2638 WeakPolarHBondContact O-CA 3.43Å; I2615-K2638 PolarHBondContact O-N 3.17Å; K2616-K2638 WeakPolarHBondContact CA-O 3.5Å; K2616-K2638 HydrophobicContact CG-CB 3.7Å; K2638-D2640 PolarHBondContact O-N 3.42Å; K2638-N2660 PolarHBondContact N-OD1 3.19Å; K2638-L2695 PolarHBondContact NZ-O 2.85Å; K2638-P2696 PolarHBondContact NZ-O 3.05Å; K2638-D2697 IonicContact NZ-OD1 2.84Å; K2638-D2697 PolarHBondContact NZ-OD1 3.21Å | ||
| 2639 | L | 89 | Confident | 80.6 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -76.3 | 110.5 | -179 | -59.3 | 171.5 | 0 | 0 | 0 | 110.3 | I2615 I2618 L2634 N2637 V2642 L2657 N2660 P2661 L2662 | I2615-L2639 HydrophobicContact CG2-CD2 3.9Å; I2615-L2639 WeakPolarHBondContact O-CD2 3.2Å; I2615-L2639 PolarHBondContact O-N 3.17Å; I2618-L2639 HydrophobicContact CD1-CD1 4.06Å; I2618-L2639 HydrophobicContact CD1-CD2 3.8Å; I2618-L2639 HydrophobicContact CG1-CD2 3.81Å; L2634-L2639 HydrophobicContact CB-CD1 4.19Å; L2634-L2639 HydrophobicContact CD1-CD1 4.28Å; N2637-L2639 HydrophobicContact CB-CG 4.34Å; L2639-V2642 HydrophobicContact CB-CG2 4.48Å; L2639-V2642 HydrophobicContact CD1-CG2 4.17Å; L2639-L2657 HydrophobicContact CD1-CD2 4.24Å; L2639-N2660 HydrophobicContact CB-CB 4.41Å; L2639-N2660 VanDerWaalsContact CB-OD1 3.28Å; L2639-N2660 WeakPolarHBondContact CB-OD1 3.41Å; L2639-N2660 WeakPolarHBondContact CG-OD1 3.45Å; L2639-N2660 PolarHBondContact N-OD1 3.12Å; L2639-N2660 VanDerWaalsContact N-OD1 3.1Å; L2639-P2661 WeakPolarHBondContact O-CD 3.44Å; L2639-L2662 HydrophobicContact CB-CD2 3.67Å; L2639-L2662 VanDerWaalsContact O-CB 3.29Å; L2639-L2662 WeakPolarHBondContact O-CB 3.29Å; L2639-L2662 WeakPolarHBondContact O-CD2 3.18Å; L2639-L2662 WeakPolarHBondContact O-CG 3.34Å; L2639-L2662 PolarHBondContact O-N 3.23Å | ||
| 2640 | D | 84.5 | Confident | 79.4 | Confident | 112 Ų | 112 | 41.5 Ų | 41.5 | 60% | 0.599 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -80.9 | -26.6 | 171.1 | -67.3 | -46.4 | 0 | 0 | 0 | 112.3 | K2638 P2661 L2662 | K2638-D2640 PolarHBondContact O-N 3.42Å; D2640-P2661 WeakPolarHBondContact OD1-CB 3.44Å; D2640-L2662 WeakPolarHBondContact O-CB 3.39Å |
| 2641 | S | 80.5 | Confident | 78.1 | Confident | 75 Ų | 75 | 44.2 Ų | 44.2 | 52% | 0.524 | 25% | 0.254 | S | S | . | . | trans | -156.3 | 156.9 | 176.1 | 66.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2642 | V | 77.5 | Confident | 77.2 | Confident | 37.5 Ų | 37.5 | 44.6 Ų | 44.6 | 23% | 0.227 | 27% | 0.272 | C | S | . | . | trans | -131.9 | 121.3 | 172.5 | 176.2 | 0 | 0 | 0 | 0 | 108.6 | L2639 L2647 L2662 | L2639-V2642 HydrophobicContact CB-CG2 4.48Å; L2639-V2642 HydrophobicContact CD1-CG2 4.17Å; V2642-L2647 HydrophobicContact CG1-CD1 4.02Å; V2642-L2647 HydrophobicContact CG1-CD2 4.43Å; V2642-L2647 HydrophobicContact CG1-CG 3.95Å; V2642-L2662 HydrophobicContact CG2-CD2 3.79Å | ||
| 2643 | F | 72.5 | Confident | 76.5 | Confident | 124 Ų | 124 | 44.7 Ų | 44.7 | 54% | 0.544 | 27% | 0.272 | S | S | . | . | trans | -66.8 | 132.5 | 176.7 | -65 | -79 | 0 | 0 | 0 | 110.5 | A2645 T2646 | F2643-A2645 PolarHBondContact O-N 2.94Å; F2643-A2645 VanDerWaalsContact O-N 3.14Å; F2643-T2646 WeakPolarHBondContact O-CB 3.26Å; F2643-T2646 PolarHBondContact O-N 2.95Å; F2643-T2646 PolarHBondContact O-OG1 3.39Å | ||
| 2644 | P | 67.7 | Low | 76.1 | Confident | 106 Ų | 106 | 45 Ų | 45 | 69% | 0.688 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -56.4 | -33.9 | 179.2 | -28.7 | 35.8 | 0 | 0 | 0 | 113.8 | T2646 L2647 A2648 | P2644-T2646 PolarHBondContact O-N 3.44Å; P2644-L2647 PolarHBondContact O-N 2.98Å; P2644-A2648 WeakPolarHBondContact O-CB 3.43Å; P2644-A2648 PolarHBondContact O-N 3.02Å |
| 2645 | A | 66.4 | Low | 75.8 | Confident | 44 Ų | 44 | 45.2 Ų | 45.2 | 36% | 0.364 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.7 | -22.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | F2621 F2643 | F2621-A2645 HydrophobicContact CE1-CB 4.28Å; F2621-A2645 HydrophobicContact CZ-CB 4.46Å; F2643-A2645 PolarHBondContact O-N 2.94Å; F2643-A2645 VanDerWaalsContact O-N 3.14Å |
| 2646 | T | 70 | Confident | 75.6 | Confident | 0.5 Ų | 0.5 | 46.5 Ų | 46.5 | 0% | 0.003 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -72.7 | -35.9 | 176.7 | -60 | 0 | 0 | 0 | 0 | 111.9 | I2618 Q2619 F2623 F2643 P2644 | I2618-T2646 HydrophobicContact CB-CG2 4.15Å; I2618-T2646 HydrophobicContact CG2-CG2 3.34Å; Q2619-T2646 PolarHBondContact O-OG1 3.04Å; F2623-T2646 HydrophobicContact CD2-CG2 3.87Å; F2623-T2646 HydrophobicContact CE2-CG2 3.84Å; F2643-T2646 WeakPolarHBondContact O-CB 3.26Å; F2643-T2646 PolarHBondContact O-N 2.95Å; F2643-T2646 PolarHBondContact O-OG1 3.39Å; P2644-T2646 PolarHBondContact O-N 3.44Å |
| 2647 | L | 69.8 | Low | 75.5 | Confident | 29.5 Ų | 29.5 | 46 Ų | 46 | 15% | 0.154 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -92.2 | -15 | 177.4 | -57.9 | -177.5 | 0 | 0 | 0 | 112.9 | F2623 L2632 V2642 P2644 P2649 N2650 F2651 V2655 | F2623-L2647 HydrophobicContact CD2-CD2 4.23Å; F2623-L2647 HydrophobicContact CE2-CD2 4.14Å; L2632-L2647 HydrophobicContact CD2-CD2 4.28Å; V2642-L2647 HydrophobicContact CG1-CD1 4.02Å; V2642-L2647 HydrophobicContact CG1-CD2 4.43Å; V2642-L2647 HydrophobicContact CG1-CG 3.95Å; P2644-L2647 PolarHBondContact O-N 2.98Å; L2647-P2649 VanDerWaalsContact C-CD 3.41Å; L2647-N2650 CarbonylContact O-C 3.57Å; L2647-N2650 VanDerWaalsContact O-C 3.29Å; L2647-N2650 WeakPolarHBondContact O-CA 3.25Å; L2647-N2650 PolarHBondContact O-N 3.19Å; L2647-F2651 PolarHBondContact O-N 3.5Å; L2647-V2655 HydrophobicContact CD1-CG1 4.4Å; L2647-V2655 HydrophobicContact CD1-CG2 4.33Å; L2647-V2655 HydrophobicContact CD2-CG1 4.29Å; L2647-V2655 HydrophobicContact CD2-CG2 4.21Å |
| 2648 | A | 58.4 | Low | 75.2 | Confident | 34 Ų | 34 | 47 Ų | 47 | 28% | 0.281 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -56.3 | -32.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | P2644 N2650 F2651 | P2644-A2648 WeakPolarHBondContact O-CB 3.43Å; P2644-A2648 PolarHBondContact O-N 3.02Å; A2648-N2650 PolarHBondContact O-N 3.21Å; A2648-F2651 VanDerWaalsContact CA-CE2 3.48Å; A2648-F2651 HydrophobicContact CB-CD2 4.24Å; A2648-F2651 HydrophobicContact CB-CE1 4.46Å; A2648-F2651 HydrophobicContact CB-CE2 3.82Å; A2648-F2651 HydrophobicContact CB-CZ 3.96Å; A2648-F2651 WeakPolarHBondContact O-CD2 3.3Å; A2648-F2651 WeakPolarHBondContact O-CE2 3.48Å |
| 2649 | P | 59 | Low | 74.9 | Confident | 53.5 Ų | 53.5 | 47.6 Ų | 47.6 | 35% | 0.347 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -62 | -25.4 | 172.9 | -22.8 | 34.1 | 0 | 0 | 0 | 112.9 | T2624 L2647 | T2624-P2649 HydrophobicContact CG2-CB 4.34Å; T2624-P2649 HydrophobicContact CG2-CG 4.27Å; T2624-P2649 WeakPolarHBondContact OG1-CG 3.12Å; L2647-P2649 VanDerWaalsContact C-CD 3.41Å |
| 2650 | N | 62.9 | Low | 74.8 | Confident | 14.5 Ų | 14.5 | 47.6 Ų | 47.6 | 8% | 0.078 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -118.4 | 36.4 | -163.7 | -68.6 | -22.3 | 0 | 0 | 0 | 111.8 | F2623 L2626 L2629 L2647 A2648 G2652 S2653 | F2623-N2650 VanDerWaalsContact CB-ND2 3.27Å; F2623-N2650 WeakPolarHBondContact CB-ND2 3.33Å; F2623-N2650 PolarHBondContact O-ND2 3.36Å; F2623-N2650 VanDerWaalsContact O-ND2 3.08Å; L2626-N2650 PolarHBondContact O-OD1 3.02Å; L2629-N2650 WeakPolarHBondContact CD2-ND2 3.01Å; L2647-N2650 CarbonylContact O-C 3.57Å; L2647-N2650 VanDerWaalsContact O-C 3.29Å; L2647-N2650 WeakPolarHBondContact O-CA 3.25Å; L2647-N2650 PolarHBondContact O-N 3.19Å; A2648-N2650 PolarHBondContact O-N 3.21Å; N2650-G2652 PolarHBondContact O-N 2.98Å; N2650-S2653 WeakPolarHBondContact CB-OG 3.42Å; N2650-S2653 WeakPolarHBondContact O-CB 3.25Å; N2650-S2653 PolarHBondContact O-N 3.14Å; N2650-S2653 PolarHBondContact O-OG 3.21Å |
| 2651 | F | 58.4 | Low | 74.8 | Confident | 134.5 Ų | 134.5 | 43.4 Ų | 43.4 | 59% | 0.59 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -10.9 | -178.5 | -84.2 | -58.9 | 0 | 0 | 0 | 115.5 | L2647 A2648 G2674 G2675 | L2647-F2651 PolarHBondContact O-N 3.5Å; A2648-F2651 VanDerWaalsContact CA-CE2 3.48Å; A2648-F2651 HydrophobicContact CB-CD2 4.24Å; A2648-F2651 HydrophobicContact CB-CE1 4.46Å; A2648-F2651 HydrophobicContact CB-CE2 3.82Å; A2648-F2651 HydrophobicContact CB-CZ 3.96Å; A2648-F2651 WeakPolarHBondContact O-CD2 3.3Å; A2648-F2651 WeakPolarHBondContact O-CE2 3.48Å; F2651-G2674 CarbonylContact O-C 3.45Å; F2651-G2674 VanDerWaalsContact O-CA 3.22Å; F2651-G2674 WeakPolarHBondContact O-CA 3.44Å; F2651-G2675 PolarHBondContact O-N 3.38Å |
| 2652 | G | 68.3 | Low | 74.9 | Confident | 63.5 Ų | 63.5 | 41.3 Ų | 41.3 | 66% | 0.655 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -10.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | N2650 | N2650-G2652 PolarHBondContact O-N 2.98Š|
| 2653 | S | 76.8 | Confident | 75.1 | Confident | 2.5 Ų | 2.5 | 40.1 Ų | 40.1 | 2% | 0.017 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -78 | 161.7 | -175.1 | -44.3 | 0 | 0 | 0 | 0 | 112.6 | L2629 Q2630 N2650 G2674 | L2629-S2653 VanDerWaalsContact C-OG 3.27Å; L2629-S2653 PolarHBondContact O-OG 2.98Å; Q2630-S2653 CarbonylContact O-C 3.28Å; Q2630-S2653 WeakPolarHBondContact O-CA 3.43Å; N2650-S2653 WeakPolarHBondContact CB-OG 3.42Å; N2650-S2653 WeakPolarHBondContact O-CB 3.25Å; N2650-S2653 PolarHBondContact O-N 3.14Å; N2650-S2653 PolarHBondContact O-OG 3.21Å; S2653-G2674 PolarHBondContact O-N 3.11Å |
| 2654 | T | 82.9 | Confident | 75.4 | Confident | 32.5 Ų | 32.5 | 36.2 Ų | 36.2 | 20% | 0.199 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 120.3 | 163.5 | -51.9 | 0 | 0 | 0 | 0 | 108.1 | Q2630 L2631 L2632 V2671 V2672 Q2673 | Q2630-T2654 PolarHBondContact O-N 3Å; L2631-T2654 CarbonylContact C-O 3.33Å; L2631-T2654 WeakPolarHBondContact CA-O 3.42Å; L2632-T2654 PolarHBondContact N-O 3.29Å; T2654-V2671 HydrophobicContact CG2-CG1 3.66Å; T2654-V2672 CarbonylContact C-O 3.48Å; T2654-V2672 WeakPolarHBondContact CA-O 3.38Å; T2654-Q2673 HydrophobicContact CG2-CG 4.48Å |
| 2655 | V | 86.8 | Confident | 75.6 | Confident | 6 Ų | 6 | 32.7 Ų | 32.7 | 4% | 0.036 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 121.5 | 178.5 | -170.7 | 0 | 0 | 0 | 0 | 108.6 | L2632 L2634 L2647 L2657 V2671 V2672 | L2632-V2655 HydrophobicContact CB-CG1 4.33Å; L2632-V2655 HydrophobicContact CB-CG2 4.33Å; L2632-V2655 HydrophobicContact CD2-CG1 4.11Å; L2632-V2655 HydrophobicContact CD2-CG2 4.45Å; L2632-V2655 HydrophobicContact CG-CG1 4.2Å; L2632-V2655 CarbonylContact O-C 3.34Å; L2632-V2655 VanDerWaalsContact O-CA 3.22Å; L2632-V2655 WeakPolarHBondContact O-CA 3.49Å; L2634-V2655 HydrophobicContact CD1-CG1 4.36Å; L2647-V2655 HydrophobicContact CD1-CG1 4.4Å; L2647-V2655 HydrophobicContact CD1-CG2 4.33Å; L2647-V2655 HydrophobicContact CD2-CG1 4.29Å; L2647-V2655 HydrophobicContact CD2-CG2 4.21Å; V2655-L2657 HydrophobicContact CG1-CD2 4.13Å; V2655-L2657 HydrophobicContact CG1-CG 4.16Å; V2655-V2671 CarbonylContact O-C 3.38Å; V2655-V2671 VanDerWaalsContact O-CA 3.27Å; V2655-V2671 WeakPolarHBondContact O-CA 3.35Å; V2655-V2672 HydrophobicContact CB-CB 4.31Å; V2655-V2672 PolarHBondContact N-O 2.93Å; V2655-V2672 PolarHBondContact O-N 3.44Å |
| 2656 | I | 86.7 | Confident | 75.2 | Confident | 44.5 Ų | 44.5 | 37.8 Ų | 37.8 | 23% | 0.228 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 127.4 | 178.5 | -50.7 | 177.9 | 0 | 0 | 0 | 108.5 | L2632 D2633 L2634 S2635 S2658 | L2632-I2656 PolarHBondContact O-N 3.03Å; D2633-I2656 HydrophobicContact CB-CB 4.43Å; D2633-I2656 HydrophobicContact CB-CD1 4.38Å; L2634-I2656 CarbonylContact C-O 3.39Å; L2634-I2656 WeakPolarHBondContact CA-O 3.29Å; L2634-I2656 WeakPolarHBondContact CB-O 3.31Å; L2634-I2656 PolarHBondContact N-O 3.05Å; S2635-I2656 PolarHBondContact N-O 2.96Å; I2656-S2658 WeakPolarHBondContact CG2-OG 3.41Å |
| 2657 | L | 87 | Confident | 74.9 | Confident | 7.5 Ų | 7.5 | 40 Ų | 40 | 4% | 0.039 | 26% | 0.262 | C | S | . | . | trans | -129.7 | 5.7 | -173.7 | -64.7 | 172.9 | 0 | 0 | 0 | 112.9 | L2634 L2639 V2655 N2660 L2662 V2663 Y2669 H2670 V2672 | L2634-L2657 HydrophobicContact CB-CD2 4.11Å; L2634-L2657 HydrophobicContact CD1-CD2 4.14Å; L2639-L2657 HydrophobicContact CD1-CD2 4.24Å; V2655-L2657 HydrophobicContact CG1-CD2 4.13Å; V2655-L2657 HydrophobicContact CG1-CG 4.16Å; L2657-N2660 WeakPolarHBondContact O-CB 3.35Å; L2657-N2660 PolarHBondContact O-N 2.63Å; L2657-N2660 PolarHBondContact O-ND2 2.83Å; L2657-N2660 VanDerWaalsContact O-ND2 3.15Å; L2657-L2662 HydrophobicContact CD1-CD1 4.34Å; L2657-V2663 HydrophobicContact CB-CG2 4.48Å; L2657-V2663 VanDerWaalsContact O-CG2 3.26Å; L2657-V2663 WeakPolarHBondContact O-CG2 3.39Å; L2657-Y2669 WeakPolarHBondContact CB-O 3.44Å; L2657-H2670 PolarHBondContact N-O 3.07Å; L2657-V2672 HydrophobicContact CD1-CG2 4.06Å | ||
| 2658 | S | 83.9 | Confident | 74.7 | Confident | 23.5 Ų | 23.5 | 38.9 Ų | 38.9 | 16% | 0.164 | 26% | 0.258 | C | S | . | . | trans | -51.8 | 153.2 | 176.4 | 47.6 | 0 | 0 | 0 | 0 | 112.6 | S2635 G2636 I2656 N2660 H2670 | S2635-S2658 CarbonylContact C-O 3.37Å; S2635-S2658 WeakPolarHBondContact CA-O 3.38Å; S2635-S2658 WeakPolarHBondContact CB-O 3.34Å; S2635-S2658 WeakPolarHBondContact CB-OG 3.21Å; G2636-S2658 PolarHBondContact N-O 3.13Å; I2656-S2658 WeakPolarHBondContact CG2-OG 3.41Å; S2658-N2660 VanDerWaalsContact C-N 3.33Å; S2658-N2660 PolarHBondContact O-N 3.32Å; S2658-N2660 PolarHBondContact O-ND2 3.13Å; S2658-N2660 VanDerWaalsContact O-ND2 3.11Å; S2658-H2670 PolarHBondContact N-O 3.11Å | ||
| 2659 | E | 84.6 | Confident | 75.2 | Confident | 55.5 Ų | 55.5 | 41.7 Ų | 41.7 | 26% | 0.259 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 50.5 | 51.1 | -174.8 | -57.4 | -58.7 | 140.2 | 0 | 0 | 112.7 | G2636 N2637 N2685 L2686 I2687 | G2636-E2659 CarbonylContact C-O 3.46Å; G2636-E2659 WeakPolarHBondContact CA-O 3.31Å; G2636-E2659 PolarHBondContact N-O 3.12Å; G2636-E2659 VanDerWaalsContact N-O 3.15Å; N2637-E2659 PolarHBondContact N-O 3.09Å; N2637-E2659 VanDerWaalsContact N-O 3.14Å; E2659-N2685 PolarHBondContact N-ND2 2.78Å; E2659-N2685 VanDerWaalsContact OE1-CA 3.25Å; E2659-N2685 WeakPolarHBondContact OE1-CA 3.26Å; E2659-N2685 PolarHBondContact OE2-OD1 3.14Å; E2659-L2686 PolarHBondContact OE1-N 3.2Å; E2659-L2686 VanDerWaalsContact OE1-N 3.1Å; E2659-L2686 PolarHBondContact OE2-N 3.14Å; E2659-L2686 VanDerWaalsContact OE2-N 3.09Å; E2659-I2687 VanDerWaalsContact C-CD1 3.43Å; E2659-I2687 HydrophobicContact CB-CD1 4.24Å; E2659-I2687 VanDerWaalsContact O-CD1 3.31Å; E2659-I2687 WeakPolarHBondContact O-CD1 3.27Å; E2659-I2687 PolarHBondContact OE2-N 2.85Å; E2659-I2687 VanDerWaalsContact OE2-N 3.15Å |
| 2660 | N | 85.7 | Confident | 75.9 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -129.6 | 150.2 | 166.6 | -80.9 | -96.1 | 0 | 0 | 0 | 110.8 | L2634 N2637 K2638 L2639 L2657 S2658 L2662 V2663 N2685 | L2634-N2660 PolarHBondContact O-ND2 2.94Å; N2637-N2660 WeakPolarHBondContact CA-OD1 3.3Å; N2637-N2660 WeakPolarHBondContact CB-OD1 3.46Å; N2637-N2660 PolarHBondContact O-OD1 3.26Å; K2638-N2660 PolarHBondContact N-OD1 3.19Å; L2639-N2660 HydrophobicContact CB-CB 4.41Å; L2639-N2660 VanDerWaalsContact CB-OD1 3.28Å; L2639-N2660 WeakPolarHBondContact CB-OD1 3.41Å; L2639-N2660 WeakPolarHBondContact CG-OD1 3.45Å; L2639-N2660 PolarHBondContact N-OD1 3.12Å; L2639-N2660 VanDerWaalsContact N-OD1 3.1Å; L2657-N2660 WeakPolarHBondContact O-CB 3.35Å; L2657-N2660 PolarHBondContact O-N 2.63Å; L2657-N2660 PolarHBondContact O-ND2 2.83Å; L2657-N2660 VanDerWaalsContact O-ND2 3.15Å; S2658-N2660 VanDerWaalsContact C-N 3.33Å; S2658-N2660 PolarHBondContact O-N 3.32Å; S2658-N2660 PolarHBondContact O-ND2 3.13Å; S2658-N2660 VanDerWaalsContact O-ND2 3.11Å; N2660-L2662 VanDerWaalsContact C-N 3.3Å; N2660-L2662 HydrophobicContact CB-CD2 4.33Å; N2660-L2662 HydrophobicContact CB-CG 4.16Å; N2660-L2662 PolarHBondContact O-N 2.96Å; N2660-V2663 HydrophobicContact CB-CG2 4.36Å; N2660-V2663 WeakPolarHBondContact O-CB 3.45Å; N2660-V2663 PolarHBondContact O-N 3.06Å; N2660-V2663 VanDerWaalsContact O-N 3.11Å; N2660-N2685 PolarHBondContact O-ND2 2.9Å |
| 2661 | P | 84.5 | Confident | 76.5 | Confident | 23.5 Ų | 23.5 | 40.3 Ų | 40.3 | 15% | 0.153 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -54.6 | -36.5 | 176.5 | -27.9 | 35.1 | 0 | 0 | 0 | 115.1 | N2637 L2639 D2640 V2663 C2664 I2687 | N2637-P2661 WeakPolarHBondContact O-CD 3.33Å; L2639-P2661 WeakPolarHBondContact O-CD 3.44Å; D2640-P2661 WeakPolarHBondContact OD1-CB 3.44Å; P2661-V2663 PolarHBondContact O-N 3.13Å; P2661-V2663 VanDerWaalsContact O-N 3.13Å; P2661-C2664 VanDerWaalsContact O-CB 3.3Å; P2661-C2664 WeakPolarHBondContact O-CB 3.43Å; P2661-C2664 PolarHBondContact O-N 2.93Å; P2661-I2687 HydrophobicContact CG-CG2 4.39Å |
| 2662 | L | 84.1 | Confident | 77.3 | Confident | 31 Ų | 31 | 34.9 Ų | 34.9 | 16% | 0.162 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -57.7 | -27.4 | 178 | 69.4 | 87.8 | 0 | 0 | 0 | 113.5 | L2639 D2640 V2642 L2657 N2660 C2664 G2665 G2668 | L2639-L2662 HydrophobicContact CB-CD2 3.67Å; L2639-L2662 VanDerWaalsContact O-CB 3.29Å; L2639-L2662 WeakPolarHBondContact O-CB 3.29Å; L2639-L2662 WeakPolarHBondContact O-CD2 3.18Å; L2639-L2662 WeakPolarHBondContact O-CG 3.34Å; L2639-L2662 PolarHBondContact O-N 3.23Å; D2640-L2662 WeakPolarHBondContact O-CB 3.39Å; V2642-L2662 HydrophobicContact CG2-CD2 3.79Å; L2657-L2662 HydrophobicContact CD1-CD1 4.34Å; N2660-L2662 VanDerWaalsContact C-N 3.3Å; N2660-L2662 HydrophobicContact CB-CD2 4.33Å; N2660-L2662 HydrophobicContact CB-CG 4.16Å; N2660-L2662 PolarHBondContact O-N 2.96Å; L2662-C2664 VanDerWaalsContact C-N 3.25Å; L2662-C2664 PolarHBondContact O-N 3Å; L2662-G2665 PolarHBondContact O-N 3.19Å; L2662-G2668 WeakPolarHBondContact O-CA 3.47Å |
| 2663 | V | 81 | Confident | 77.4 | Confident | 11 Ų | 11 | 36.8 Ų | 36.8 | 7% | 0.067 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -72.9 | -19.5 | -178.6 | -176.1 | 0 | 0 | 0 | 0 | 111 | L2657 N2660 P2661 G2665 H2670 N2685 | L2657-V2663 HydrophobicContact CB-CG2 4.48Å; L2657-V2663 VanDerWaalsContact O-CG2 3.26Å; L2657-V2663 WeakPolarHBondContact O-CG2 3.39Å; N2660-V2663 HydrophobicContact CB-CG2 4.36Å; N2660-V2663 WeakPolarHBondContact O-CB 3.45Å; N2660-V2663 PolarHBondContact O-N 3.06Å; N2660-V2663 VanDerWaalsContact O-N 3.11Å; P2661-V2663 PolarHBondContact O-N 3.13Å; P2661-V2663 VanDerWaalsContact O-N 3.13Å; V2663-G2665 VanDerWaalsContact C-N 3.3Å; V2663-G2665 PolarHBondContact O-N 2.99Å; V2663-H2670 WeakPolarHBondContact CG1-CD2 3.32Å; V2663-H2670 WeakPolarHBondContact CG1-NE2 3.47Å; V2663-N2685 VanDerWaalsContact CB-ND2 3.34Å; V2663-N2685 WeakPolarHBondContact CB-ND2 3.27Å; V2663-N2685 WeakPolarHBondContact CG1-ND2 3.41Å |
| 2664 | C | 79.3 | Confident | 76.8 | Confident | 42 Ų | 42 | 38.7 Ų | 38.7 | 28% | 0.284 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -84.3 | 1.5 | 178.8 | -47.2 | 0 | 0 | 0 | 0 | 113.6 | P2661 L2662 C2688 R2693 | P2661-C2664 VanDerWaalsContact O-CB 3.3Å; P2661-C2664 WeakPolarHBondContact O-CB 3.43Å; P2661-C2664 PolarHBondContact O-N 2.93Å; L2662-C2664 VanDerWaalsContact C-N 3.25Å; L2662-C2664 PolarHBondContact O-N 3Å; C2664-C2688 WeakPolarHBondContact CA-SG 3.41Å; C2664-C2688 HydrophobicContact CB-CB 3.78Å; C2664-C2688 WeakPolarHBondContact CB-SG 3.39Å; C2664-C2688 WeakPolarHBondContact SG-CA 3.34Å; C2664-C2688 WeakPolarHBondContact SG-CB 3.24Å; C2664-C2688 PolarHBondContact SG-N 2.64Å; C2664-C2688 CovalentContact SG-SG 2.04Å; C2664-C2688 PolarHBondContact SG-SG 2.99Å; C2664-R2693 PolarHBondContact O-NH2 2.88Å; C2664-R2693 VanDerWaalsContact O-NH2 3.09Å |
| 2665 | G | 70.8 | Confident | 75.9 | Confident | 32.5 Ų | 32.5 | 39.2 Ų | 39.2 | 34% | 0.335 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -86.8 | 161 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | L2662 V2663 G2667 G2668 | L2662-G2665 PolarHBondContact O-N 3.19Å; V2663-G2665 VanDerWaalsContact C-N 3.3Å; V2663-G2665 PolarHBondContact O-N 2.99Å; G2665-G2667 PolarHBondContact O-N 3.01Å; G2665-G2667 VanDerWaalsContact O-N 3.11Å; G2665-G2668 PolarHBondContact O-N 3Å |
| 2666 | P | 59.3 | Low | 74.9 | Confident | 152.5 Ų | 152.5 | 46.2 Ų | 46.2 | 99% | 0.99 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 64.2 | 174.8 | 28.6 | -34.6 | 0 | 0 | 0 | 112.4 | ||
| 2667 | G | 62.3 | Low | 73.8 | Confident | 45 Ų | 45 | 47 Ų | 47 | 46% | 0.464 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 148 | 22.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113 | G2665 Y2669 | G2665-G2667 PolarHBondContact O-N 3.01Å; G2665-G2667 VanDerWaalsContact O-N 3.11Å; G2667-Y2669 WeakPolarHBondContact O-CD2 3.35Å; G2667-Y2669 WeakPolarHBondContact O-CE1 3.24Å; G2667-Y2669 WeakPolarHBondContact O-CE2 3.31Å; G2667-Y2669 VanDerWaalsContact O-CZ 3.24Å |
| 2668 | G | 65.1 | Low | 72.7 | Confident | 6.5 Ų | 6.5 | 49.2 Ų | 49.2 | 7% | 0.067 | 30% | 0.304 | C | S | . | . | trans | -71 | 142.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L2662 G2665 M2679 | L2662-G2668 WeakPolarHBondContact O-CA 3.47Å; G2665-G2668 PolarHBondContact O-N 3Å; G2668-M2679 WeakPolarHBondContact O-CE 3.44Å | ||
| 2669 | Y | 70.5 | Confident | 71.4 | Confident | 93.5 Ų | 93.5 | 52.6 Ų | 52.6 | 37% | 0.367 | 32% | 0.319 | S | S | . | . | trans | -131.9 | 128.3 | -172.5 | -52.8 | -57.6 | 0 | 0 | 0 | 111.6 | L2657 G2667 P2677 M2679 | L2657-Y2669 WeakPolarHBondContact CB-O 3.44Å; G2667-Y2669 WeakPolarHBondContact O-CD2 3.35Å; G2667-Y2669 WeakPolarHBondContact O-CE1 3.24Å; G2667-Y2669 WeakPolarHBondContact O-CE2 3.31Å; G2667-Y2669 VanDerWaalsContact O-CZ 3.24Å; Y2669-P2677 HydrophobicContact CD1-CB 3.36Å; Y2669-P2677 VanDerWaalsContact CD1-CB 3.43Å; Y2669-P2677 HydrophobicContact CD1-CG 4.16Å; Y2669-P2677 HydrophobicContact CD2-CB 3.35Å; Y2669-P2677 VanDerWaalsContact CD2-CB 3.41Å; Y2669-P2677 HydrophobicContact CD2-CG 4.1Å; Y2669-P2677 HydrophobicContact CE1-CB 3.57Å; Y2669-P2677 VanDerWaalsContact CE1-CB 3.46Å; Y2669-P2677 HydrophobicContact CE1-CG 3.82Å; Y2669-P2677 HydrophobicContact CE2-CB 3.56Å; Y2669-P2677 HydrophobicContact CE2-CG 3.77Å; Y2669-P2677 HydrophobicContact CG-CB 3.22Å; Y2669-P2677 HydrophobicContact CG-CG 4.27Å; Y2669-M2679 HydrophobicContact CD1-CG 4.08Å; Y2669-M2679 HydrophobicContact CD1-SD 3.83Å; Y2669-M2679 HydrophobicContact CE1-CG 4.49Å | ||
| 2670 | H | 74 | Confident | 70.1 | Confident | 19.5 Ų | 19.5 | 53.2 Ų | 53.2 | 9% | 0.09 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -73.6 | -35.2 | -178.3 | -67.7 | -125.7 | 0 | 0 | 0 | 111.8 | L2657 S2658 V2663 L2680 E2683 | L2657-H2670 PolarHBondContact N-O 3.07Å; S2658-H2670 PolarHBondContact N-O 3.11Å; V2663-H2670 WeakPolarHBondContact CG1-CD2 3.32Å; V2663-H2670 WeakPolarHBondContact CG1-NE2 3.47Å; H2670-L2680 HydrophobicContact CB-CB 4.22Å; H2670-L2680 HydrophobicContact CB-CD1 4.2Å; H2670-L2680 HydrophobicContact CB-CG 4.13Å; H2670-E2683 PolarHBondContact CE1-O 3.08Å; H2670-E2683 VanDerWaalsContact CE1-O 3.28Å |
| 2671 | V | 75.3 | Confident | 68.4 | Low | 20 Ų | 20 | 60.1 Ų | 60.1 | 12% | 0.121 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 145.9 | 178.8 | 179 | 0 | 0 | 0 | 0 | 109.3 | T2654 V2655 Q2673 V2678 L2680 | T2654-V2671 HydrophobicContact CG2-CG1 3.66Å; V2655-V2671 CarbonylContact O-C 3.38Å; V2655-V2671 VanDerWaalsContact O-CA 3.27Å; V2655-V2671 WeakPolarHBondContact O-CA 3.35Å; V2671-Q2673 HydrophobicContact CG1-CB 4.45Å; V2671-V2678 HydrophobicContact CB-CB 4.32Å; V2671-V2678 PolarHBondContact N-O 3.41Å; V2671-V2678 PolarHBondContact O-N 3.44Å; V2671-L2680 HydrophobicContact CG2-CD1 4Å; V2671-L2680 HydrophobicContact CG2-CG 4.21Å |
| 2672 | V | 75.1 | Confident | 66.9 | Low | 21 Ų | 21 | 66 Ų | 66 | 13% | 0.127 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 117 | 167.3 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | T2654 V2655 L2657 K2676 | T2654-V2672 CarbonylContact C-O 3.48Å; T2654-V2672 WeakPolarHBondContact CA-O 3.38Å; V2655-V2672 HydrophobicContact CB-CB 4.31Å; V2655-V2672 PolarHBondContact N-O 2.93Å; V2655-V2672 PolarHBondContact O-N 3.44Å; L2657-V2672 HydrophobicContact CD1-CG2 4.06Å; V2672-K2676 CarbonylContact C-O 3.32Å; V2672-K2676 WeakPolarHBondContact CA-O 3.35Å |
| 2673 | Q | 69.5 | Low | 65.4 | Low | 103.5 Ų | 103.5 | 70 Ų | 70 | 48% | 0.484 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 121.1 | -176.9 | -170 | 179.8 | 36.5 | 0 | 0 | 110.2 | T2654 V2671 G2675 K2676 V2678 | T2654-Q2673 HydrophobicContact CG2-CG 4.48Å; V2671-Q2673 HydrophobicContact CG1-CB 4.45Å; Q2673-G2675 PolarHBondContact O-N 3.23Å; Q2673-K2676 PolarHBondContact N-O 2.99Å; Q2673-K2676 WeakPolarHBondContact O-CB 3.37Å; Q2673-K2676 PolarHBondContact O-N 3.3Å; Q2673-V2678 HydrophobicContact CB-CG2 4.34Å |
| 2674 | G | 64.7 | Low | 64.3 | Low | 41.5 Ų | 41.5 | 76 Ų | 76 | 43% | 0.428 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 32.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | F2651 S2653 K2676 | F2651-G2674 CarbonylContact O-C 3.45Å; F2651-G2674 VanDerWaalsContact O-CA 3.22Å; F2651-G2674 WeakPolarHBondContact O-CA 3.44Å; S2653-G2674 PolarHBondContact O-N 3.11Å; G2674-K2676 PolarHBondContact O-N 3.33Å; G2674-K2676 VanDerWaalsContact O-N 3.16Å |
| 2675 | G | 64.4 | Low | 63.4 | Low | 42.5 Ų | 42.5 | 74.8 Ų | 74.8 | 44% | 0.438 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | -3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | F2651 Q2673 | F2651-G2675 PolarHBondContact O-N 3.38Å; Q2673-G2675 PolarHBondContact O-N 3.23Å |
| 2676 | K | 64.3 | Low | 63.3 | Low | 154.5 Ų | 154.5 | 79.1 Ų | 79.1 | 67% | 0.672 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94 | 129.9 | 173.3 | -66.5 | -175.4 | 178.5 | -178 | 0 | 110.4 | V2672 Q2673 G2674 | V2672-K2676 CarbonylContact C-O 3.32Å; V2672-K2676 WeakPolarHBondContact CA-O 3.35Å; Q2673-K2676 PolarHBondContact N-O 2.99Å; Q2673-K2676 WeakPolarHBondContact O-CB 3.37Å; Q2673-K2676 PolarHBondContact O-N 3.3Å; G2674-K2676 PolarHBondContact O-N 3.33Å; G2674-K2676 VanDerWaalsContact O-N 3.16Å |
| 2677 | P | 63.5 | Low | 63.8 | Low | 60.5 Ų | 60.5 | 73.9 Ų | 73.9 | 39% | 0.393 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 144.6 | 170.4 | 27.9 | -32.7 | 0 | 0 | 0 | 111.9 | Y2669 | Y2669-P2677 HydrophobicContact CD1-CB 3.36Å; Y2669-P2677 VanDerWaalsContact CD1-CB 3.43Å; Y2669-P2677 HydrophobicContact CD1-CG 4.16Å; Y2669-P2677 HydrophobicContact CD2-CB 3.35Å; Y2669-P2677 VanDerWaalsContact CD2-CB 3.41Å; Y2669-P2677 HydrophobicContact CD2-CG 4.1Å; Y2669-P2677 HydrophobicContact CE1-CB 3.57Å; Y2669-P2677 VanDerWaalsContact CE1-CB 3.46Å; Y2669-P2677 HydrophobicContact CE1-CG 3.82Å; Y2669-P2677 HydrophobicContact CE2-CB 3.56Å; Y2669-P2677 HydrophobicContact CE2-CG 3.77Å; Y2669-P2677 HydrophobicContact CG-CB 3.22Å; Y2669-P2677 HydrophobicContact CG-CG 4.27Å |
| 2678 | V | 64.7 | Low | 64.3 | Low | 53 Ų | 53 | 74.6 Ų | 74.6 | 32% | 0.321 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 123.2 | 176.1 | -179.2 | 0 | 0 | 0 | 0 | 108.1 | V2671 Q2673 | V2671-V2678 HydrophobicContact CB-CB 4.32Å; V2671-V2678 PolarHBondContact N-O 3.41Å; V2671-V2678 PolarHBondContact O-N 3.44Å; Q2673-V2678 HydrophobicContact CB-CG2 4.34Å |
| 2679 | M | 56.6 | Low | 64.4 | Low | 96.5 Ų | 96.5 | 81.1 Ų | 81.1 | 48% | 0.475 | 43% | 0.434 | S | S | . | . | trans | -92.5 | 120.4 | 173.2 | -69.4 | -110.9 | -71.4 | 0 | 0 | 109.9 | G2668 Y2669 L2681 | G2668-M2679 WeakPolarHBondContact O-CE 3.44Å; Y2669-M2679 HydrophobicContact CD1-CG 4.08Å; Y2669-M2679 HydrophobicContact CD1-SD 3.83Å; Y2669-M2679 HydrophobicContact CE1-CG 4.49Å; M2679-L2681 VanDerWaalsContact C-N 3.28Å; M2679-L2681 HydrophobicContact CB-CD2 4.41Å; M2679-L2681 HydrophobicContact CB-CG 4.16Å; M2679-L2681 HydrophobicContact CE-CD2 3.95Å; M2679-L2681 HydrophobicContact CE-CG 4.27Å; M2679-L2681 PolarHBondContact O-N 3.08Å | ||
| 2680 | L | 58 | Low | 64 | Low | 66.5 Ų | 66.5 | 83.9 Ų | 83.9 | 35% | 0.348 | 45% | 0.445 | S | S | . | . | trans | -83.7 | 81.5 | 170.7 | -62.4 | 179.1 | 0 | 0 | 0 | 108.5 | H2670 V2671 N2682 E2683 | H2670-L2680 HydrophobicContact CB-CB 4.22Å; H2670-L2680 HydrophobicContact CB-CD1 4.2Å; H2670-L2680 HydrophobicContact CB-CG 4.13Å; V2671-L2680 HydrophobicContact CG2-CD1 4Å; V2671-L2680 HydrophobicContact CG2-CG 4.21Å; L2680-N2682 PolarHBondContact O-N 2.84Å; L2680-E2683 HydrophobicContact CB-CB 4.46Å; L2680-E2683 HydrophobicContact CB-CG 4.43Å; L2680-E2683 WeakPolarHBondContact CD1-OE2 3.36Å; L2680-E2683 PolarHBondContact O-N 2.95Å; L2680-E2683 VanDerWaalsContact O-N 3.13Å | ||
| 2681 | L | 49.7 | Very low | 62.9 | Low | 145 Ų | 145 | 92.2 Ų | 92.2 | 76% | 0.759 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -9.8 | -167.4 | -79.7 | 168.2 | 0 | 0 | 0 | 116.4 | M2679 | M2679-L2681 VanDerWaalsContact C-N 3.28Å; M2679-L2681 HydrophobicContact CB-CD2 4.41Å; M2679-L2681 HydrophobicContact CB-CG 4.16Å; M2679-L2681 HydrophobicContact CE-CD2 3.95Å; M2679-L2681 HydrophobicContact CE-CG 4.27Å; M2679-L2681 PolarHBondContact O-N 3.08Å |
| 2682 | N | 52 | Low | 61.7 | Low | 148.5 Ų | 148.5 | 97.9 Ų | 97.9 | 79% | 0.794 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | -4.5 | -176.3 | -70.5 | -12.1 | 0 | 0 | 0 | 114.4 | L2680 | L2680-N2682 PolarHBondContact O-N 2.84Š|
| 2683 | E | 53.9 | Low | 60.6 | Low | 113.5 Ų | 113.5 | 105.1 Ų | 105.1 | 53% | 0.53 | 54% | 0.539 | S | S | . | . | trans | -100.9 | 115.7 | 180 | -69.9 | 178.4 | 178.8 | 0 | 0 | 110.8 | H2670 L2680 N2685 | H2670-E2683 PolarHBondContact CE1-O 3.08Å; H2670-E2683 VanDerWaalsContact CE1-O 3.28Å; L2680-E2683 HydrophobicContact CB-CB 4.46Å; L2680-E2683 HydrophobicContact CB-CG 4.43Å; L2680-E2683 WeakPolarHBondContact CD1-OE2 3.36Å; L2680-E2683 PolarHBondContact O-N 2.95Å; L2680-E2683 VanDerWaalsContact O-N 3.13Å; E2683-N2685 PolarHBondContact O-N 3.48Å | ||
| 2684 | Q | 56.2 | Low | 60.1 | Low | 139 Ų | 139 | 105 Ų | 105 | 65% | 0.65 | 55% | 0.549 | S | S | * | . | trans | -75.6 | 109.7 | 170.8 | -72.6 | -174.3 | -46.8 | 0 | 0 | 109.7 | L2686 | Q2684-L2686 PolarHBondContact O-N 3.08Š| ||
| 2685 | N | 61.8 | Low | 59.8 | Low | 15 Ų | 15 | 107.7 Ų | 107.7 | 8% | 0.08 | 55% | 0.553 | C | S | . | * | trans | -62.5 | 115.4 | 169.2 | 177.6 | -29 | 0 | 0 | 0 | 109.4 | E2659 N2660 V2663 E2683 I2687 C2688 | E2659-N2685 PolarHBondContact N-ND2 2.78Å; E2659-N2685 VanDerWaalsContact OE1-CA 3.25Å; E2659-N2685 WeakPolarHBondContact OE1-CA 3.26Å; E2659-N2685 PolarHBondContact OE2-OD1 3.14Å; N2660-N2685 PolarHBondContact O-ND2 2.9Å; V2663-N2685 VanDerWaalsContact CB-ND2 3.34Å; V2663-N2685 WeakPolarHBondContact CB-ND2 3.27Å; V2663-N2685 WeakPolarHBondContact CG1-ND2 3.41Å; E2683-N2685 PolarHBondContact O-N 3.48Å; N2685-I2687 VanDerWaalsContact C-N 3.25Å; N2685-I2687 PolarHBondContact O-N 2.84Å; N2685-I2687 VanDerWaalsContact OD1-CB 3.31Å; N2685-I2687 WeakPolarHBondContact OD1-CB 3.46Å; N2685-I2687 PolarHBondContact OD1-N 3.04Å; N2685-I2687 VanDerWaalsContact OD1-N 3.12Å; N2685-C2688 VanDerWaalsContact CG-SG 3.54Å; N2685-C2688 PolarHBondContact O-N 2.76Å; N2685-C2688 PolarHBondContact OD1-N 3.12Å; N2685-C2688 PolarHBondContact OD1-SG 3.39Å | ||
| 2686 | L | 67.7 | Low | 59.8 | Low | 124 Ų | 124 | 109.6 Ų | 109.6 | 65% | 0.649 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -69.4 | -31.3 | -171.3 | -64.7 | 175.6 | 0 | 0 | 0 | 112 | E2659 Q2684 C2688 N2689 Y2690 | E2659-L2686 PolarHBondContact OE1-N 3.2Å; E2659-L2686 VanDerWaalsContact OE1-N 3.1Å; E2659-L2686 PolarHBondContact OE2-N 3.14Å; E2659-L2686 VanDerWaalsContact OE2-N 3.09Å; Q2684-L2686 PolarHBondContact O-N 3.08Å; L2686-C2688 VanDerWaalsContact C-N 3.31Å; L2686-C2688 PolarHBondContact O-N 3.15Å; L2686-N2689 PolarHBondContact O-N 3.39Å; L2686-N2689 VanDerWaalsContact O-N 3.15Å; L2686-Y2690 WeakPolarHBondContact O-CD2 3.42Å |
| 2687 | I | 71.2 | Confident | 60.1 | Low | 42 Ų | 42 | 106.5 Ų | 106.5 | 22% | 0.215 | 55% | 0.549 | C | S | . | . | G | 310 helix | trans | -60.2 | -34.8 | 176.3 | -61.9 | -178 | 0 | 0 | 0 | 111.5 | E2659 P2661 N2685 N2689 Y2690 L2695 | E2659-I2687 VanDerWaalsContact C-CD1 3.43Å; E2659-I2687 HydrophobicContact CB-CD1 4.24Å; E2659-I2687 VanDerWaalsContact O-CD1 3.31Å; E2659-I2687 WeakPolarHBondContact O-CD1 3.27Å; E2659-I2687 PolarHBondContact OE2-N 2.85Å; E2659-I2687 VanDerWaalsContact OE2-N 3.15Å; P2661-I2687 HydrophobicContact CG-CG2 4.39Å; N2685-I2687 VanDerWaalsContact C-N 3.25Å; N2685-I2687 PolarHBondContact O-N 2.84Å; N2685-I2687 VanDerWaalsContact OD1-CB 3.31Å; N2685-I2687 WeakPolarHBondContact OD1-CB 3.46Å; N2685-I2687 PolarHBondContact OD1-N 3.04Å; N2685-I2687 VanDerWaalsContact OD1-N 3.12Å; I2687-N2689 PolarHBondContact O-N 2.98Å; I2687-N2689 VanDerWaalsContact O-N 3.11Å; I2687-Y2690 PolarHBondContact O-N 3.18Å; I2687-L2695 HydrophobicContact CD1-CD1 4.17Å; I2687-L2695 HydrophobicContact CG1-CD1 4.1Å |
| 2688 | C | 71.9 | Confident | 60.6 | Low | 61.5 Ų | 61.5 | 112.5 Ų | 112.5 | 42% | 0.416 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -67.2 | -14.2 | -176.3 | -54.8 | 0 | 0 | 0 | 0 | 114.4 | C2664 N2685 L2686 | C2664-C2688 WeakPolarHBondContact CA-SG 3.41Å; C2664-C2688 HydrophobicContact CB-CB 3.78Å; C2664-C2688 WeakPolarHBondContact CB-SG 3.39Å; C2664-C2688 WeakPolarHBondContact SG-CA 3.34Å; C2664-C2688 WeakPolarHBondContact SG-CB 3.24Å; C2664-C2688 PolarHBondContact SG-N 2.64Å; C2664-C2688 CovalentContact SG-SG 2.04Å; C2664-C2688 PolarHBondContact SG-SG 2.99Å; N2685-C2688 VanDerWaalsContact CG-SG 3.54Å; N2685-C2688 PolarHBondContact O-N 2.76Å; N2685-C2688 PolarHBondContact OD1-N 3.12Å; N2685-C2688 PolarHBondContact OD1-SG 3.39Å; L2686-C2688 VanDerWaalsContact C-N 3.31Å; L2686-C2688 PolarHBondContact O-N 3.15Å |
| 2689 | N | 67.7 | Low | 61.4 | Low | 143 Ų | 143 | 111.4 Ų | 111.4 | 77% | 0.765 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -88.2 | -7.1 | 175.5 | -140.5 | 6 | 0 | 0 | 0 | 113.2 | L2686 I2687 Q2691 | L2686-N2689 PolarHBondContact O-N 3.39Å; L2686-N2689 VanDerWaalsContact O-N 3.15Å; I2687-N2689 PolarHBondContact O-N 2.98Å; I2687-N2689 VanDerWaalsContact O-N 3.11Å; N2689-Q2691 PolarHBondContact O-N 3.49Å |
| 2690 | Y | 61 | Low | 62.3 | Low | 151.5 Ų | 151.5 | 109.4 Ų | 109.4 | 59% | 0.594 | 55% | 0.552 | S | S | * | * | trans | -91.7 | 109 | -176.9 | -102.7 | -93 | 0 | 0 | 0 | 111.9 | L2686 I2687 N2692 | L2686-Y2690 WeakPolarHBondContact O-CD2 3.42Å; I2687-Y2690 PolarHBondContact O-N 3.18Å; Y2690-N2692 PolarHBondContact O-N 3.21Å | ||
| 2691 | Q | 52.5 | Low | 62.6 | Low | 193.5 Ų | 193.5 | 110.7 Ų | 110.7 | 90% | 0.904 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -63.3 | 32.1 | 175.9 | -68.8 | -173.6 | -6.1 | 0 | 0 | 112.5 | N2689 R2693 | N2689-Q2691 PolarHBondContact O-N 3.49Å; Q2691-R2693 PolarHBondContact O-N 2.97Å |
| 2692 | N | 49.9 | Very low | 63.3 | Low | 139 Ų | 139 | 109.9 Ų | 109.9 | 74% | 0.743 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -23.7 | 55.7 | 160.4 | -141.8 | -3 | 0 | 0 | 0 | 114.9 | Y2690 S2694 | Y2690-N2692 PolarHBondContact O-N 3.21Å; N2692-S2694 PolarHBondContact O-N 2.9Å; N2692-S2694 VanDerWaalsContact O-N 3.07Å; N2692-S2694 PolarHBondContact OD1-N 3.48Å; N2692-S2694 PolarHBondContact OD1-OG 2.8Å |
| 2693 | R | 52.1 | Low | 63.5 | Low | 174 Ų | 174 | 111.7 Ų | 111.7 | 66% | 0.657 | 55% | 0.547 | S | S | * | . | trans | -71.6 | 40.1 | 169.6 | -68.9 | -174.4 | 178.2 | -165 | -3 | 110.9 | C2664 Q2691 L2695 | C2664-R2693 PolarHBondContact O-NH2 2.88Å; C2664-R2693 VanDerWaalsContact O-NH2 3.09Å; Q2691-R2693 PolarHBondContact O-N 2.97Å; R2693-L2695 VanDerWaalsContact C-N 3.25Å; R2693-L2695 PolarHBondContact O-N 3.31Å | ||
| 2694 | S | 57.5 | Low | 63.2 | Low | 100 Ų | 100 | 111.9 Ų | 111.9 | 70% | 0.699 | 56% | 0.558 | S | S | * | * | trans | -72.8 | 84 | 171.7 | 59.7 | 0 | 0 | 0 | 0 | 110.9 | N2692 | N2692-S2694 PolarHBondContact O-N 2.9Å; N2692-S2694 VanDerWaalsContact O-N 3.07Å; N2692-S2694 PolarHBondContact OD1-N 3.48Å; N2692-S2694 PolarHBondContact OD1-OG 2.8Å | ||
| 2695 | L | 59.5 | Low | 62.6 | Low | 98.5 Ų | 98.5 | 111 Ų | 111 | 52% | 0.516 | 55% | 0.554 | S | S | . | * | trans | -55.6 | 131.5 | 165.6 | -76.3 | 164.2 | 0 | 0 | 0 | 108.2 | K2638 I2687 R2693 | K2638-L2695 PolarHBondContact NZ-O 2.85Å; I2687-L2695 HydrophobicContact CD1-CD1 4.17Å; I2687-L2695 HydrophobicContact CG1-CD1 4.1Å; R2693-L2695 VanDerWaalsContact C-N 3.25Å; R2693-L2695 PolarHBondContact O-N 3.31Å | ||
| 2696 | P | 63 | Low | 61.7 | Low | 82 Ų | 82 | 114.4 Ų | 114.4 | 53% | 0.532 | 59% | 0.585 | S | S | . | * | trans | -59.1 | 149.3 | -178 | 24.1 | -33.9 | 0 | 0 | 0 | 110.8 | K2638 R2698 | K2638-P2696 PolarHBondContact NZ-O 3.05Å; P2696-R2698 VanDerWaalsContact C-N 3.3Å; P2696-R2698 HydrophobicContact CB-CG 4.49Å; P2696-R2698 HydrophobicContact CG-CG 4.45Å; P2696-R2698 PolarHBondContact O-N 2.91Å | ||
| 2697 | D | 70.6 | Confident | 60.4 | Low | 90.5 Ų | 90.5 | 117.3 Ų | 117.3 | 48% | 0.484 | 60% | 0.595 | S | S | . | * | trans | -69.2 | 82.4 | 178.3 | -66.2 | -23.7 | 0 | 0 | 0 | 110.5 | K2616 K2638 | K2616-D2697 WeakPolarHBondContact CE-OD1 3.45Å; K2616-D2697 IonicContact NZ-OD1 3.01Å; K2616-D2697 PolarHBondContact NZ-OD1 3.35Å; K2616-D2697 IonicContact NZ-OD2 2.95Å; K2616-D2697 PolarHBondContact NZ-OD2 3.2Å; K2638-D2697 IonicContact NZ-OD1 2.84Å; K2638-D2697 PolarHBondContact NZ-OD1 3.21Å | ||
| 2698 | R | 74.1 | Confident | 59.3 | Low | 185.5 Ų | 185.5 | 124 Ų | 124 | 70% | 0.7 | 62% | 0.623 | S | S | * | * | trans | -97.4 | 130.6 | 170.2 | -65.1 | -177 | 177.6 | -172.8 | -1.1 | 106.9 | N2614 P2696 | N2614-R2698 PolarHBondContact ND2-O 3.05Å; N2614-R2698 VanDerWaalsContact ND2-O 3.11Å; N2614-R2698 PolarHBondContact OD1-O 2.91Å; P2696-R2698 VanDerWaalsContact C-N 3.3Å; P2696-R2698 HydrophobicContact CB-CG 4.49Å; P2696-R2698 HydrophobicContact CG-CG 4.45Å; P2696-R2698 PolarHBondContact O-N 2.91Å | ||
| 2699 | C | 82.1 | Confident | 57.9 | Low | 31 Ų | 31 | 125.1 Ų | 125.1 | 21% | 0.209 | 63% | 0.631 | C | S | . | * | trans | -61.4 | 139.8 | 165.6 | -119.9 | 0 | 0 | 0 | 0 | 108.9 | C2590 N2701 R2702 | C2590-C2699 WeakPolarHBondContact CA-SG 3.33Å; C2590-C2699 HydrophobicContact CB-CB 4.01Å; C2590-C2699 WeakPolarHBondContact CB-SG 3.4Å; C2590-C2699 PolarHBondContact N-SG 3.17Å; C2590-C2699 WeakPolarHBondContact SG-CB 3.3Å; C2590-C2699 CovalentContact SG-SG 2.03Å; C2590-C2699 PolarHBondContact SG-SG 2.88Å; C2699-N2701 VanDerWaalsContact C-N 3.29Å; C2699-N2701 PolarHBondContact O-N 3.13Å; C2699-R2702 HydrophobicContact CB-CB 4.06Å; C2699-R2702 PolarHBondContact O-N 2.63Å; C2699-R2702 VanDerWaalsContact O-N 3.11Å | ||
| 2700 | P | 74.8 | Confident | 56.6 | Low | 54 Ų | 54 | 120.4 Ų | 120.4 | 35% | 0.351 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -50.2 | 27.6 | 177.9 | -22.4 | 26.6 | 0 | 0 | 0 | 111.3 | Q2588 N2589 N2612 R2702 | Q2588-P2700 HydrophobicContact CB-CB 4.49Å; N2589-P2700 WeakPolarHBondContact O-CD 3.43Å; N2612-P2700 WeakPolarHBondContact O-CG 3.48Å; P2700-R2702 PolarHBondContact O-N 2.97Å |
| 2701 | N | 65.9 | Low | 55.5 | Low | 93 Ų | 93 | 118.8 Ų | 118.8 | 50% | 0.497 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.9 | 61 | 178.7 | -85.6 | 6.4 | 0 | 0 | 0 | 110.7 | G2565 C2699 K2703 | G2565-N2701 WeakPolarHBondContact CA-ND2 3.15Å; G2565-N2701 PolarHBondContact O-ND2 2.83Å; C2699-N2701 VanDerWaalsContact C-N 3.29Å; C2699-N2701 PolarHBondContact O-N 3.13Å; N2701-K2703 PolarHBondContact O-N 2.86Å |
| 2702 | R | 63 | Low | 54.8 | Low | 129.5 Ų | 129.5 | 113 Ų | 113 | 49% | 0.489 | 61% | 0.605 | S | S | . | * | trans | -57.9 | 105.9 | 168.6 | -120.6 | 173.4 | 176.9 | -169.3 | -0.5 | 107.3 | Y2541 N2542 N2543 C2699 P2700 P2704 E2705 | Y2541-R2702 PolarHBondContact O-NH2 2.66Å; N2542-R2702 PolarHBondContact O-NH2 3.33Å; N2543-R2702 PolarHBondContact OD1-NH2 2.81Å; C2699-R2702 HydrophobicContact CB-CB 4.06Å; C2699-R2702 PolarHBondContact O-N 2.63Å; C2699-R2702 VanDerWaalsContact O-N 3.11Å; P2700-R2702 PolarHBondContact O-N 2.97Å; R2702-P2704 VanDerWaalsContact O-CD 3.29Å; R2702-P2704 WeakPolarHBondContact O-CD 3.24Å; R2702-P2704 VanDerWaalsContact O-N 3.12Å; R2702-E2705 IonicContact CZ-OE1 2.71Å; R2702-E2705 IonicContact NE-OE1 3.72Å; R2702-E2705 IonicContact NH2-OE1 3.36Å; R2702-E2705 PolarHBondContact NH2-OE1 3.49Å | ||
| 2703 | K | 56.6 | Low | 54.1 | Low | 185 Ų | 185 | 111 Ų | 111 | 80% | 0.804 | 60% | 0.603 | S | S | * | * | trans | -47.3 | 123.4 | 161.9 | -72.3 | -179.1 | -179.4 | 174.3 | 0 | 105.3 | N2701 E2705 | N2701-K2703 PolarHBondContact O-N 2.86Å; K2703-E2705 VanDerWaalsContact C-N 3.31Å; K2703-E2705 PolarHBondContact O-N 2.95Å | ||
| 2704 | P | 46.9 | Very low | 53.3 | Low | 118.5 Ų | 118.5 | 109.5 Ų | 109.5 | 77% | 0.769 | 61% | 0.607 | S | S | * | * | trans | -57.4 | 112.6 | 174.9 | 24.1 | -31.4 | 0 | 0 | 0 | 105.3 | R2702 A2706 | R2702-P2704 VanDerWaalsContact O-CD 3.29Å; R2702-P2704 WeakPolarHBondContact O-CD 3.24Å; R2702-P2704 VanDerWaalsContact O-N 3.12Å; P2704-A2706 PolarHBondContact O-N 2.93Å | ||
| 2705 | E | 45.4 | Very low | 52.3 | Low | 119 Ų | 119 | 111.9 Ų | 111.9 | 56% | 0.556 | 61% | 0.611 | S | S | * | * | trans | -54.1 | 120.4 | 171.2 | -123.3 | -178.4 | -173.1 | 0 | 0 | 104.8 | R2702 K2703 Q2707 K2708 | R2702-E2705 IonicContact CZ-OE1 2.71Å; R2702-E2705 IonicContact NE-OE1 3.72Å; R2702-E2705 IonicContact NH2-OE1 3.36Å; R2702-E2705 PolarHBondContact NH2-OE1 3.49Å; K2703-E2705 VanDerWaalsContact C-N 3.31Å; K2703-E2705 PolarHBondContact O-N 2.95Å; E2705-Q2707 PolarHBondContact O-N 3.07Å; E2705-K2708 WeakPolarHBondContact OE1-CE 3.32Å; E2705-K2708 IonicContact OE1-NZ 2.73Å; E2705-K2708 PolarHBondContact OE1-NZ 3.37Å | ||
| 2706 | A | 41.5 | Very low | 51.1 | Low | 88 Ų | 88 | 114 Ų | 114 | 73% | 0.727 | 62% | 0.624 | S | S | * | * | trans | -52.7 | 112.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 104.9 | P2704 K2708 | P2704-A2706 PolarHBondContact O-N 2.93Å; A2706-K2708 VanDerWaalsContact C-N 3.28Å; A2706-K2708 PolarHBondContact O-N 3.02Å | ||
| 2707 | Q | 42 | Very low | 49.8 | Very low | 183.5 Ų | 183.5 | 118.1 Ų | 118.1 | 86% | 0.857 | 64% | 0.641 | S | S | * | * | trans | -54.5 | 113.4 | 179 | -78.2 | -175 | -80.2 | 0 | 0 | 105.5 | E2705 S2709 | E2705-Q2707 PolarHBondContact O-N 3.07Å; Q2707-S2709 VanDerWaalsContact C-N 3.31Å; Q2707-S2709 PolarHBondContact O-N 2.84Å; Q2707-S2709 PolarHBondContact O-OG 3.16Å | ||
| 2708 | K | 46.7 | Very low | 47.9 | Very low | 184.5 Ų | 184.5 | 117.9 Ų | 117.9 | 80% | 0.802 | 65% | 0.652 | S | S | * | * | trans | -61.5 | 89.4 | 163.7 | -70.9 | 172.6 | -179.1 | 165.6 | 0 | 104.8 | E2705 A2706 G2710 | E2705-K2708 WeakPolarHBondContact OE1-CE 3.32Å; E2705-K2708 IonicContact OE1-NZ 2.73Å; E2705-K2708 PolarHBondContact OE1-NZ 3.37Å; A2706-K2708 VanDerWaalsContact C-N 3.28Å; A2706-K2708 PolarHBondContact O-N 3.02Å; K2708-G2710 VanDerWaalsContact C-N 3.29Å; K2708-G2710 PolarHBondContact O-N 2.98Å | ||
| 2709 | S | 43.9 | Very low | 45.8 | Very low | 83.5 Ų | 83.5 | 118.7 Ų | 118.7 | 58% | 0.584 | 66% | 0.663 | S | S | * | * | trans | -55 | 98 | 166.7 | 33.4 | 0 | 0 | 0 | 0 | 105.3 | Q2707 C2711 S2713 | Q2707-S2709 VanDerWaalsContact C-N 3.31Å; Q2707-S2709 PolarHBondContact O-N 2.84Å; Q2707-S2709 PolarHBondContact O-OG 3.16Å; S2709-C2711 WeakPolarHBondContact O-CA 3.34Å; S2709-C2711 PolarHBondContact O-N 3.11Å; S2709-C2711 VanDerWaalsContact O-N 3.12Å; S2709-S2713 WeakPolarHBondContact CB-OG 3.34Å | ||
| 2710 | G | 40.3 | Very low | 43.5 | Very low | 43.5 Ų | 43.5 | 123 Ų | 123 | 45% | 0.448 | 69% | 0.689 | S | S | . | * | trans | -49.9 | 126.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | H2445 K2708 C2712 S2713 | H2445-G2710 WeakPolarHBondContact NE2-CA 3.4Å; K2708-G2710 VanDerWaalsContact C-N 3.29Å; K2708-G2710 PolarHBondContact O-N 2.98Å; G2710-C2712 CarbonylContact O-C 3.41Å; G2710-C2712 VanDerWaalsContact O-CA 3.23Å; G2710-C2712 WeakPolarHBondContact O-CA 3.43Å; G2710-C2712 WeakPolarHBondContact O-CB 3.27Å; G2710-C2712 PolarHBondContact O-N 3.02Å; G2710-S2713 PolarHBondContact O-N 2.87Å | ||
| 2711 | C | 37.1 | Very low | 41.3 | Very low | 118.5 Ų | 118.5 | 125.2 Ų | 125.2 | 80% | 0.801 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -58.1 | 88.6 | -159.1 | -61.9 | 0 | 0 | 0 | 0 | 112.5 | S2709 | S2709-C2711 WeakPolarHBondContact O-CA 3.34Å; S2709-C2711 PolarHBondContact O-N 3.11Å; S2709-C2711 VanDerWaalsContact O-N 3.12Å |
| 2712 | C | 37.9 | Very low | 39.6 | Very low | 71 Ų | 71 | 129.4 Ų | 129.4 | 48% | 0.48 | 73% | 0.728 | S | S | . | * | trans | 120 | 46.6 | -171.1 | -52.1 | 0 | 0 | 0 | 0 | 113.8 | C2420 G2710 L2714 | C2420-C2712 HydrophobicContact CB-CB 4.24Å; C2420-C2712 VanDerWaalsContact CB-SG 3.53Å; C2420-C2712 WeakPolarHBondContact SG-CB 3.37Å; C2420-C2712 PolarHBondContact SG-SG 2.81Å; G2710-C2712 CarbonylContact O-C 3.41Å; G2710-C2712 VanDerWaalsContact O-CA 3.23Å; G2710-C2712 WeakPolarHBondContact O-CA 3.43Å; G2710-C2712 WeakPolarHBondContact O-CB 3.27Å; G2710-C2712 PolarHBondContact O-N 3.02Å; C2712-L2714 VanDerWaalsContact C-N 3.33Å; C2712-L2714 HydrophobicContact CB-CD1 4.31Å; C2712-L2714 HydrophobicContact CB-CG 4.2Å; C2712-L2714 PolarHBondContact O-N 3.35Å | ||
| 2713 | S | 35.3 | Very low | 38 | Very low | 99 Ų | 99 | 132.5 Ų | 132.5 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | trans | -81.9 | 99.2 | 148.5 | -72.7 | 0 | 0 | 0 | 0 | 107.9 | S2709 G2710 N2715 | S2709-S2713 WeakPolarHBondContact CB-OG 3.34Å; G2710-S2713 PolarHBondContact O-N 2.87Å; S2713-N2715 PolarHBondContact O-N 3.11Å | ||
| 2714 | L | 35.9 | Very low | 37.4 | Very low | 142 Ų | 142 | 129 Ų | 129 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 105.7 | 166.6 | -70.6 | 165.2 | 0 | 0 | 0 | 107.3 | C2712 | C2712-L2714 VanDerWaalsContact C-N 3.33Å; C2712-L2714 HydrophobicContact CB-CD1 4.31Å; C2712-L2714 HydrophobicContact CB-CG 4.2Å; C2712-L2714 PolarHBondContact O-N 3.35Å |
| 2715 | N | 36.6 | Very low | 36.9 | Very low | 149 Ų | 149 | 128.9 Ų | 128.9 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -168.3 | 35.7 | 156.9 | -96.7 | -7 | 0 | 0 | 0 | 109.9 | S2713 D2717 | S2713-N2715 PolarHBondContact O-N 3.11Å; N2715-D2717 PolarHBondContact O-N 2.81Å |
| 2716 | D | 34.4 | Very low | 36.1 | Very low | 144 Ų | 144 | 131.4 Ų | 131.4 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | -18.5 | 75.6 | 156.7 | -55.6 | -19.4 | 0 | 0 | 0 | 115.6 | ||||
| 2717 | D | 33.8 | Very low | 35.5 | Very low | 168.5 Ų | 168.5 | 138.3 Ų | 138.3 | 90% | 0.901 | 76% | 0.764 | S | S | * | * | trans | -114 | 96.9 | 155.9 | -87.6 | -42.8 | 0 | 0 | 0 | 108.3 | N2715 | N2715-D2717 PolarHBondContact O-N 2.81Š| ||
| 2718 | A | 31.8 | Very low | 35.1 | Very low | 85 Ų | 85 | 134.7 Ų | 134.7 | 70% | 0.702 | 76% | 0.757 | S | S | * | * | trans | 137.4 | 88.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | T2720 | A2718-T2720 HydrophobicContact CB-CG2 4.46Å; A2718-T2720 PolarHBondContact O-N 3.18Å; A2718-T2720 VanDerWaalsContact O-N 3.14Å | ||
| 2719 | E | 30.7 | Very low | 34.1 | Very low | 202.5 Ų | 202.5 | 134.3 Ų | 134.3 | 95% | 0.946 | 76% | 0.757 | S | S | * | * | trans | -67.1 | 105.3 | 153.1 | -74.9 | -176.6 | 136.7 | 0 | 0 | 110 | ||||
| 2720 | T | 32.8 | Very low | 33.3 | Very low | 121.5 Ų | 121.5 | 138.7 Ų | 138.7 | 75% | 0.745 | 77% | 0.771 | S | S | * | * | trans | -101.5 | 137.8 | 153.8 | 29.6 | 0 | 0 | 0 | 0 | 109.2 | A2718 E2722 | A2718-T2720 HydrophobicContact CB-CG2 4.46Å; A2718-T2720 PolarHBondContact O-N 3.18Å; A2718-T2720 VanDerWaalsContact O-N 3.14Å; T2720-E2722 PolarHBondContact O-N 2.87Å | ||
| 2721 | A | 29.3 | Very low | 32.7 | Very low | 100.5 Ų | 100.5 | 142.4 Ų | 142.4 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | trans | -83.9 | 98.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 2722 | E | 29.2 | Very low | 32.2 | Very low | 180.5 Ų | 180.5 | 142.9 Ų | 142.9 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -116.3 | 148.8 | 161.2 | -95.1 | -171.2 | 159.2 | 0 | 0 | 111 | T2720 | T2720-E2722 PolarHBondContact O-N 2.87Š|
| 2723 | F | 29.4 | Very low | 31.8 | Very low | 194.5 Ų | 194.5 | 148.2 Ų | 148.2 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 171 | -177.8 | -76.9 | -107.7 | 0 | 0 | 0 | 111.8 | ||
| 2724 | P | 44.5 | Very low | 31.3 | Very low | 112.5 Ų | 112.5 | 149.4 Ų | 149.4 | 73% | 0.731 | 80% | 0.798 | S | S | * | * | trans | -83.6 | 169.6 | -143.8 | 31.4 | -26.4 | 0 | 0 | 0 | 112.5 | I2726 | P2724-I2726 PolarHBondContact O-N 2.98Š| ||
| 2725 | P | 36.3 | Very low | 31.1 | Very low | 116.5 Ų | 116.5 | 149.4 Ų | 149.4 | 76% | 0.756 | 80% | 0.804 | S | S | * | * | -102.7 | 149.4 | -90.3 | 34.8 | -30.3 | 0 | 0 | 0 | 114 | |||||
| 2726 | I | 29.4 | Very low | 30.4 | Very low | 170.5 Ų | 170.5 | 150 Ų | 150 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -131.2 | 139.9 | 148 | -75 | 167.4 | 0 | 0 | 0 | 109.1 | P2724 | P2724-I2726 PolarHBondContact O-N 2.98Š|
| 2727 | R | 27.5 | Very low | 30.2 | Very low | 233 Ų | 233 | 151.4 Ų | 151.4 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 167.6 | -172.9 | -89.1 | -172 | -179.7 | -166.4 | 1.4 | 111.9 | ||
| 2728 | P | 33.6 | Very low | 29.7 | Very low | 109 Ų | 109 | 150.6 Ų | 150.6 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | -117.8 | 177.7 | -98.5 | 37.9 | -26.3 | 0 | 0 | 0 | 113.8 | |||||
| 2729 | E | 25.8 | Very low | 29.4 | Very low | 175.5 Ų | 175.5 | 156.3 Ų | 156.3 | 82% | 0.82 | 80% | 0.804 | S | S | * | * | trans | -47.8 | 125.5 | 152.8 | -73.2 | -177.4 | 153.9 | 0 | 0 | 116.5 | ||||
| 2730 | M | 27.6 | Very low | 29.3 | Very low | 176.5 Ų | 176.5 | 152.3 Ų | 152.3 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | 123.2 | 147 | 124.7 | -87 | -168.6 | 172.8 | 0 | 0 | 117.4 | |||||
| 2731 | T | 28.1 | Very low | 28.9 | Very low | 120.5 Ų | 120.5 | 152.7 Ų | 152.7 | 74% | 0.739 | 80% | 0.798 | S | S | * | * | -123.3 | 158.1 | 89.1 | 28.5 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 2732 | D | 26.7 | Very low | 28.9 | Very low | 129 Ų | 129 | 154.1 Ų | 154.1 | 69% | 0.69 | 80% | 0.795 | S | S | * | * | trans | 63.6 | 134.7 | 143.8 | -101.5 | -9.7 | 0 | 0 | 0 | 120.4 | ||||
| 2733 | K | 29.7 | Very low | 28.9 | Very low | 182.5 Ų | 182.5 | 150.7 Ų | 150.7 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | 135 | 123 | 124.6 | -90.4 | 160.8 | -174.4 | 144.4 | 0 | 119.3 | |||||
| 2734 | T | 24.7 | Very low | 28.8 | Very low | 124 Ų | 124 | 147.9 Ų | 147.9 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | trans | -20.7 | 130.7 | 149.5 | 49.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 2735 | T | 30.5 | Very low | 28.1 | Very low | 141 Ų | 141 | 148.5 Ų | 148.5 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | -162.6 | 123.4 | 128.2 | -8.4 | 0 | 0 | 0 | 0 | 108 | |||||
| 2736 | Q | 23.4 | Very low | 27.7 | Very low | 161.5 Ų | 161.5 | 148.1 Ų | 148.1 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | -21.5 | 134.8 | 124.4 | -69.5 | -168.7 | -26 | 0 | 0 | 113.3 | |||||
| 2737 | L | 29.2 | Very low | 27.5 | Very low | 175 Ų | 175 | 144.6 Ų | 144.6 | 92% | 0.916 | 77% | 0.772 | S | S | * | * | trans | -143.8 | 125.6 | 148.7 | -108.9 | 163.1 | 0 | 0 | 0 | 107.9 | ||||
| 2738 | E | 24.4 | Very low | 27.4 | Very low | 151 Ų | 151 | 138.4 Ų | 138.4 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | -98.7 | 170.9 | -163.6 | -109.8 | 167.2 | 160.3 | 0 | 0 | 112.6 | ||||
| 2739 | Y | 25.6 | Very low | 27.2 | Very low | 205 Ų | 205 | 138.7 Ų | 138.7 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | -112.4 | 170.5 | 158.8 | -68.8 | -66.1 | 0 | 0 | 0 | 111.9 | ||||
| 2740 | P | 28.5 | Very low | 27.2 | Very low | 118.5 Ų | 118.5 | 137.2 Ų | 137.2 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | -115.5 | 141 | 169.8 | 34.8 | -32.2 | 0 | 0 | 0 | 115.7 | ||||
| 2741 | V | 23.8 | Very low | 27.1 | Very low | 130.5 Ų | 130.5 | 136.8 Ų | 136.8 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | -89.8 | 140.8 | 160.2 | 175.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 2742 | V | 29.5 | Very low | 27 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | trans | -123.9 | 140 | 171.1 | 177.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 2743 | P | 29.6 | Very low | 26.9 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | trans | -98.8 | 168.4 | -137.8 | 37 | -37.8 | 0 | 0 | 0 | 116.7 | ||||
| 2744 | N | 25.6 | Very low | 26.8 | Very low | 136.5 Ų | 136.5 | 136.9 Ų | 136.9 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | trans | -72.2 | 161.6 | 172.7 | -73.4 | -26.9 | 0 | 0 | 0 | 113.4 | Q3120 | N2744-Q3120 VanDerWaalsContact CB-OE1 3.29Å; N2744-Q3120 VanDerWaalsContact CG-CD 3.4Å; N2744-Q3120 VanDerWaalsContact CG-OE1 3.28Å | ||
| 2745 | V | 30.1 | Very low | 26.9 | Very low | 125 Ų | 125 | 140.1 Ų | 140.1 | 76% | 0.758 | 78% | 0.781 | S | S | * | * | trans | 160 | 136.8 | 163.1 | -176.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 2746 | P | 28.2 | Very low | 26.7 | Very low | 107.5 Ų | 107.5 | 136.9 Ų | 136.9 | 70% | 0.698 | 78% | 0.776 | S | S | * | * | -117.2 | -177.6 | -77.3 | 38.8 | -30.4 | 0 | 0 | 0 | 114.1 | |||||
| 2747 | S | 24.4 | Very low | 26.9 | Very low | 97 Ų | 97 | 138.1 Ų | 138.1 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | -77.3 | 136.9 | 167.9 | 47.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 2748 | S | 27 | Very low | 26.7 | Very low | 102.5 Ų | 102.5 | 136.9 Ų | 136.9 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | trans | -171.8 | 135.1 | 143.4 | 56.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 2749 | T | 27.7 | Very low | 26.8 | Very low | 116.5 Ų | 116.5 | 135.9 Ų | 135.9 | 72% | 0.715 | 78% | 0.781 | S | S | * | * | trans | 59.1 | 120.6 | 146.1 | 52.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 2750 | N | 26.4 | Very low | 26.7 | Very low | 143.5 Ų | 143.5 | 132.3 Ų | 132.3 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | 63.6 | 107.6 | 125.9 | -69.1 | -20.2 | 0 | 0 | 0 | 121.1 | |||||
| 2751 | M | 26.8 | Very low | 26.6 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 83% | 0.828 | 78% | 0.784 | S | S | * | * | 159.4 | 120.2 | 126.8 | -74.4 | -158.1 | 177.6 | 0 | 0 | 116.5 | |||||
| 2752 | K | 25.8 | Very low | 26.7 | Very low | 193.5 Ų | 193.5 | 137.4 Ų | 137.4 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | trans | -4.8 | 133.2 | 149.4 | -73.1 | -179.6 | 175 | 178 | 0 | 114.2 | ||||
| 2753 | A | 24.7 | Very low | 26.5 | Very low | 96.5 Ų | 96.5 | 142.3 Ų | 142.3 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | trans | -29.7 | 142.7 | 159 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 2754 | T | 27.8 | Very low | 26.5 | Very low | 144 Ų | 144 | 143.7 Ų | 143.7 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -138.6 | 143.4 | 145.7 | -21.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 2755 | Q | 25.4 | Very low | 26.5 | Very low | 191 Ų | 191 | 148.5 Ų | 148.5 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | trans | -83.3 | 152.2 | 178.5 | -64 | 164.9 | -26.3 | 0 | 0 | 110.4 | ||||
| 2756 | G | 27.1 | Very low | 26.4 | Very low | 73 Ų | 73 | 148.3 Ų | 148.3 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | -166.9 | 90.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 2757 | Q | 26.6 | Very low | 26.5 | Very low | 187 Ų | 187 | 148.5 Ų | 148.5 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -13.6 | 127.1 | 152.1 | -65.9 | 169.6 | -44.2 | 0 | 0 | 114.7 | ||||
| 2758 | D | 25.8 | Very low | 26.6 | Very low | 151 Ų | 151 | 152.5 Ų | 152.5 | 81% | 0.807 | 81% | 0.809 | S | S | * | * | trans | -63.3 | 143.3 | 138.8 | -87.8 | -37.8 | 0 | 0 | 0 | 117.1 | ||||
| 2759 | T | 27.1 | Very low | 26.8 | Very low | 130 Ų | 130 | 151.9 Ų | 151.9 | 80% | 0.798 | 81% | 0.811 | S | S | * | * | trans | -141.7 | 153.6 | 157.1 | 33.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 2760 | V | 23.8 | Very low | 26.6 | Very low | 129 Ų | 129 | 154.4 Ų | 154.4 | 78% | 0.782 | 82% | 0.816 | S | S | * | * | trans | -20.1 | 126.2 | 158.5 | 177.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 2761 | F | 25.8 | Very low | 27 | Very low | 198.5 Ų | 198.5 | 156 Ų | 156 | 87% | 0.871 | 82% | 0.819 | S | S | * | * | trans | -159.2 | 160.7 | 142.6 | -102.4 | -83.6 | 0 | 0 | 0 | 110.2 | ||||
| 2762 | M | 26.2 | Very low | 27 | Very low | 157.5 Ų | 157.5 | 156.4 Ų | 156.4 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | -118.5 | 160 | -87.1 | -66.9 | -164.4 | -120.2 | 0 | 0 | 111.9 | |||||
| 2763 | R | 24.1 | Very low | 27.2 | Very low | 231.5 Ų | 231.5 | 154.1 Ų | 154.1 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | 60.8 | 110.8 | 80.5 | -99.9 | -177.6 | -175.1 | -178.3 | 1.9 | 118.8 | |||||
| 2764 | T | 29.6 | Very low | 27.4 | Very low | 139 Ų | 139 | 155.4 Ų | 155.4 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -148.9 | 135.1 | 146 | 25.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 2765 | R | 26.4 | Very low | 27.4 | Very low | 236 Ų | 236 | 153.2 Ų | 153.2 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | trans | 130.5 | 112.6 | 139.6 | -115 | -168.1 | -170.3 | -177.3 | 3.8 | 111.7 | ||||
| 2766 | T | 27.4 | Very low | 27.5 | Very low | 122 Ų | 122 | 150.2 Ų | 150.2 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | 140.5 | 129.7 | 117.9 | 44.5 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 2767 | T | 30.4 | Very low | 27.5 | Very low | 112 Ų | 112 | 155.5 Ų | 155.5 | 69% | 0.687 | 80% | 0.804 | S | S | * | * | -176.2 | 143.2 | 61.3 | 25.5 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 2768 | E | 27.4 | Very low | 27.5 | Very low | 179.5 Ų | 179.5 | 150.8 Ų | 150.8 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | 67.2 | 139.8 | 114.5 | -78.1 | 149.8 | -164.1 | 0 | 0 | 118 | |||||
| 2769 | A | 29.9 | Very low | 28 | Very low | 90.5 Ų | 90.5 | 149.2 Ų | 149.2 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -170.2 | 151.1 | -134 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 2770 | M | 24.4 | Very low | 28 | Very low | 168.5 Ų | 168.5 | 148.5 Ų | 148.5 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | trans | -37.4 | 138.3 | 163.4 | -70.1 | 164.8 | 54.5 | 0 | 0 | 115.8 | ||||
| 2771 | H | 34.2 | Very low | 28.2 | Very low | 178 Ų | 178 | 147.7 Ų | 147.7 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | 175.5 | 141.1 | 123.2 | -101.9 | -82.8 | 0 | 0 | 0 | 110.6 | |||||
| 2772 | K | 26.8 | Very low | 28.4 | Very low | 176.5 Ų | 176.5 | 144.4 Ų | 144.4 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | 162.5 | 136.3 | 118.8 | -85.1 | -173.1 | 172.6 | -176 | 0 | 112.7 | |||||
| 2773 | D | 31.2 | Very low | 28.5 | Very low | 145 Ų | 145 | 140.9 Ų | 140.9 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | 166.3 | 128.5 | 128 | -79.8 | -12.1 | 0 | 0 | 0 | 109.8 | |||||
| 2774 | T | 27.7 | Very low | 28.6 | Very low | 123.5 Ų | 123.5 | 139 Ų | 139 | 76% | 0.758 | 78% | 0.777 | S | S | * | * | 77.5 | 100.7 | 57 | 5.5 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 2775 | S | 29 | Very low | 28.5 | Very low | 98 Ų | 98 | 138.1 Ų | 138.1 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | -170 | 139.1 | 72.7 | 52.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 2776 | T | 27.1 | Very low | 28.5 | Very low | 128.5 Ų | 128.5 | 134.1 Ų | 134.1 | 79% | 0.788 | 76% | 0.762 | S | S | * | * | 54.9 | 130.8 | 110.4 | 57.3 | 0 | 0 | 0 | 0 | 119 | |||||
| 2777 | M | 27.2 | Very low | 28.6 | Very low | 183.5 Ų | 183.5 | 136.5 Ų | 136.5 | 90% | 0.904 | 77% | 0.765 | S | S | * | * | -172.4 | 136.5 | 50.6 | -124.6 | -133.7 | -177.2 | 0 | 0 | 111.2 | |||||
| 2778 | A | 25.4 | Very low | 28.6 | Very low | 88 Ų | 88 | 137.6 Ų | 137.6 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | 131.5 | 177 | 161.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 2779 | P | 35.8 | Very low | 28.6 | Very low | 117.5 Ų | 117.5 | 134.7 Ų | 134.7 | 76% | 0.763 | 76% | 0.76 | S | S | * | * | cis | -137.6 | -153.7 | 2.8 | 40.2 | -18.1 | 0 | 0 | 0 | 115.2 | ||||
| 2780 | T | 27.6 | Very low | 28.4 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 71% | 0.712 | 77% | 0.767 | S | S | * | * | trans | 172.8 | 160.6 | 174.5 | 39.1 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 2781 | T | 28.6 | Very low | 28.6 | Very low | 113 Ų | 113 | 143.3 Ų | 143.3 | 69% | 0.693 | 77% | 0.77 | S | S | * | * | trans | 96.2 | 110.9 | 137.4 | 33.4 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 2782 | T | 29.1 | Very low | 28.5 | Very low | 127.5 Ų | 127.5 | 141 Ų | 141 | 78% | 0.782 | 77% | 0.77 | S | S | * | * | trans | 66.4 | 136.9 | 133.2 | 53.7 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 2783 | A | 29.1 | Very low | 28.6 | Very low | 84.5 Ų | 84.5 | 137.4 Ų | 137.4 | 70% | 0.698 | 77% | 0.773 | S | S | * | * | 166.1 | 145.4 | 52.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 2784 | F | 25.2 | Very low | 28.5 | Very low | 191 Ų | 191 | 139.5 Ų | 139.5 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | 59.7 | 127.9 | 143.4 | -89.8 | -112.5 | 0 | 0 | 0 | 123.7 | ||||
| 2785 | V | 28.7 | Very low | 28.6 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 74% | 0.739 | 78% | 0.784 | S | S | * | * | 145.7 | 136.8 | 113.1 | 158.2 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 2786 | E | 26.5 | Very low | 28.5 | Very low | 150.5 Ų | 150.5 | 138 Ų | 138 | 70% | 0.703 | 78% | 0.784 | S | S | * | * | trans | -37.3 | 141.7 | 165.5 | -59.5 | 179.3 | 121.3 | 0 | 0 | 117.4 | ||||
| 2787 | Q | 28.5 | Very low | 28.6 | Very low | 173.5 Ų | 173.5 | 137.4 Ų | 137.4 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | -177.1 | 140.5 | 99.4 | -121.1 | 168.8 | 45.6 | 0 | 0 | 109.3 | |||||
| 2788 | I | 30.4 | Very low | 29 | Very low | 134.5 Ų | 134.5 | 133 Ų | 133 | 69% | 0.69 | 77% | 0.77 | S | S | * | * | 66.4 | 108.7 | 107.3 | -54.5 | 170.5 | 0 | 0 | 0 | 114.3 | |||||
| 2789 | T | 27.8 | Very low | 29.4 | Very low | 119.5 Ų | 119.5 | 134.3 Ų | 134.3 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | -117.5 | 143 | 88.1 | 20 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 2790 | R | 26.9 | Very low | 29.2 | Very low | 236.5 Ų | 236.5 | 133.2 Ų | 133.2 | 89% | 0.892 | 75% | 0.751 | S | S | * | * | trans | 116.5 | 125.1 | 146.2 | -85.9 | 167.1 | -171.9 | -171.5 | 2.8 | 117.3 | ||||
| 2791 | K | 28.6 | Very low | 29.7 | Very low | 202 Ų | 202 | 136 Ų | 136 | 88% | 0.878 | 75% | 0.753 | S | S | * | * | trans | 164.3 | 144.4 | 156.3 | -73.6 | -172.3 | 173.7 | -174.6 | 0 | 114.3 | ||||
| 2792 | P | 30.3 | Very low | 29.9 | Very low | 129.5 Ų | 129.5 | 141 Ų | 141 | 84% | 0.841 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 159.4 | 166 | 9.7 | -0.6 | 0 | 0 | 0 | 111.7 | ||
| 2793 | A | 28.7 | Very low | 30.2 | Very low | 100.5 Ų | 100.5 | 140.7 Ų | 140.7 | 83% | 0.831 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -110.7 | 128.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 2794 | E | 29.2 | Very low | 30.7 | Very low | 190.5 Ų | 190.5 | 143.2 Ų | 143.2 | 89% | 0.89 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 143.4 | 168.1 | -69.4 | 175.7 | 139.9 | 0 | 0 | 110.9 | G2796 | E2794-G2796 PolarHBondContact O-N 3.09Š|
| 2795 | S | 29.7 | Very low | 31.2 | Very low | 123.5 Ų | 123.5 | 144.4 Ų | 144.4 | 86% | 0.864 | 74% | 0.737 | S | S | * | * | trans | -49.4 | 102.5 | 171.1 | 55.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2796 | G | 28.3 | Very low | 31.5 | Very low | 67 Ų | 67 | 145.1 Ų | 145.1 | 69% | 0.691 | 74% | 0.737 | S | S | * | * | trans | -115.4 | 117.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E2794 P2798 | E2794-G2796 PolarHBondContact O-N 3.09Å; G2796-P2798 WeakPolarHBondContact O-CD 3.32Å | ||
| 2797 | S | 29.8 | Very low | 31.9 | Very low | 114 Ų | 114 | 142.5 Ų | 142.5 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | trans | -75.8 | 102.1 | 166.3 | 61.5 | 0 | 0 | 0 | 0 | 112 | N2799 | S2797-N2799 PolarHBondContact O-N 3.47Š| ||
| 2798 | P | 34 | Very low | 32.1 | Very low | 91.5 Ų | 91.5 | 142.6 Ų | 142.6 | 59% | 0.594 | 73% | 0.729 | S | S | * | * | trans | -81.2 | 100.9 | 174.8 | 33 | -33.7 | 0 | 0 | 0 | 111 | G2796 M2800 | G2796-P2798 WeakPolarHBondContact O-CD 3.32Å; P2798-M2800 HydrophobicContact CB-CB 4.16Å; P2798-M2800 HydrophobicContact CB-CE 3.51Å; P2798-M2800 HydrophobicContact CB-SD 3.79Å; P2798-M2800 HydrophobicContact CG-CB 4.49Å; P2798-M2800 HydrophobicContact CG-CE 3.79Å; P2798-M2800 PolarHBondContact O-N 3.41Å | ||
| 2799 | N | 33.7 | Very low | 32.4 | Very low | 115 Ų | 115 | 141.4 Ų | 141.4 | 62% | 0.615 | 73% | 0.729 | S | S | * | * | trans | -68.6 | 85.5 | 174.9 | -155.1 | -44.7 | 0 | 0 | 0 | 110.5 | S2797 K2801 R2802 | S2797-N2799 PolarHBondContact O-N 3.47Å; N2799-K2801 PolarHBondContact O-N 3.44Å; N2799-K2801 WeakPolarHBondContact OD1-CD 3.49Å; N2799-K2801 WeakPolarHBondContact OD1-CG 3.41Å; N2799-R2802 PolarHBondContact O-N 3.01Å | ||
| 2800 | M | 33 | Very low | 32.8 | Very low | 96 Ų | 96 | 141.3 Ų | 141.3 | 47% | 0.473 | 73% | 0.731 | S | S | . | * | G | 310 helix | trans | -67.3 | -0.6 | -161.9 | -116.8 | 127.7 | 76.7 | 0 | 0 | 116.2 | E2329 P2798 R2802 F2803 | E2329-M2800 HydrophobicContact CG-CE 4.31Å; P2798-M2800 HydrophobicContact CB-CB 4.16Å; P2798-M2800 HydrophobicContact CB-CE 3.51Å; P2798-M2800 HydrophobicContact CB-SD 3.79Å; P2798-M2800 HydrophobicContact CG-CB 4.49Å; P2798-M2800 HydrophobicContact CG-CE 3.79Å; P2798-M2800 PolarHBondContact O-N 3.41Å; M2800-R2802 PolarHBondContact O-N 3.3Å; M2800-F2803 PolarHBondContact O-N 3.29Å |
| 2801 | K | 37.6 | Very low | 33.1 | Very low | 174 Ų | 174 | 135.5 Ų | 135.5 | 76% | 0.757 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -55.7 | -14.6 | 173.6 | -66.3 | 177.2 | -175.5 | 174.3 | 0 | 114.5 | N2799 | N2799-K2801 PolarHBondContact O-N 3.44Å; N2799-K2801 WeakPolarHBondContact OD1-CD 3.49Å; N2799-K2801 WeakPolarHBondContact OD1-CG 3.41Å |
| 2802 | R | 33.9 | Very low | 33.3 | Very low | 217 Ų | 217 | 134.4 Ų | 134.4 | 82% | 0.819 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -89 | -23.5 | 172.2 | -154.9 | 171.5 | -173.2 | 171.2 | 1 | 114.1 | N2799 M2800 | N2799-R2802 PolarHBondContact O-N 3.01Å; M2800-R2802 PolarHBondContact O-N 3.3Å |
| 2803 | F | 34.7 | Very low | 33.2 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 54% | 0.535 | 71% | 0.714 | S | S | . | * | G | 310 helix | trans | -75.8 | -33.4 | -174.5 | -134 | -92 | 0 | 0 | 0 | 113 | M2800 R2805 L2806 | M2800-F2803 PolarHBondContact O-N 3.29Å; F2803-R2805 PolarHBondContact O-N 2.9Å; F2803-L2806 PolarHBondContact O-N 2.89Å |
| 2804 | W | 39.3 | Very low | 33.4 | Very low | 138 Ų | 138 | 137.3 Ų | 137.3 | 52% | 0.523 | 71% | 0.711 | S | S | . | * | G | 310 helix | trans | -59.2 | 1.4 | 175.7 | -87.2 | 103.5 | 0 | 0 | 0 | 116 | E2329 | E2329-W2804 PolarHBondContact OE1-NE1 3.27Š|
| 2805 | R | 36.2 | Very low | 33.4 | Very low | 215 Ų | 215 | 137 Ų | 137 | 81% | 0.811 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -104.3 | -8.4 | 173.1 | -65.9 | -171.7 | -179.4 | -174.3 | 1.3 | 114.6 | F2803 | F2803-R2805 PolarHBondContact O-N 2.9Š|
| 2806 | L | 33.5 | Very low | 33.5 | Very low | 138 Ų | 138 | 136.9 Ų | 136.9 | 72% | 0.723 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | -9.8 | -175 | -67.3 | 172.8 | 0 | 0 | 0 | 114.5 | F2803 | F2803-L2806 PolarHBondContact O-N 2.89Š|
| 2807 | T | 36.7 | Very low | 33.5 | Very low | 96 Ų | 96 | 140.2 Ų | 140.2 | 59% | 0.589 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -94.2 | 12.6 | 179.9 | 50.7 | 0 | 0 | 0 | 0 | 114.5 | P2809 | T2807-P2809 WeakPolarHBondContact O-CD 3.28Š|
| 2808 | K | 31.3 | Very low | 33.4 | Very low | 175 Ų | 175 | 141.5 Ų | 141.5 | 76% | 0.761 | 70% | 0.702 | S | S | * | * | trans | -88.5 | 112.4 | 167.9 | -75.2 | -170.4 | 176.3 | -173.7 | 0 | 109.9 | ||||
| 2809 | P | 37.5 | Very low | 33.2 | Very low | 108 Ų | 108 | 142.6 Ų | 142.6 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | trans | -65.8 | 138.5 | 166.8 | 29 | -33.3 | 0 | 0 | 0 | 109.3 | T2807 V2811 | T2807-P2809 WeakPolarHBondContact O-CD 3.28Å; P2809-V2811 PolarHBondContact O-N 3.32Å | ||
| 2810 | P | 36 | Very low | 33 | Very low | 118 Ų | 118 | 142.5 Ų | 142.5 | 77% | 0.766 | 71% | 0.71 | S | S | * | * | trans | -68.9 | 116.6 | 168.8 | 28.6 | -31.8 | 0 | 0 | 0 | 108.6 | K2812 | P2810-K2812 PolarHBondContact O-N 3.31Å; P2810-K2812 VanDerWaalsContact O-N 3.12Å | ||
| 2811 | V | 34 | Very low | 32.8 | Very low | 116 Ų | 116 | 143.5 Ų | 143.5 | 70% | 0.703 | 72% | 0.722 | S | S | * | * | trans | -70.5 | 107.2 | 166.1 | 180 | 0 | 0 | 0 | 0 | 106.9 | P2809 D2813 | P2809-V2811 PolarHBondContact O-N 3.32Å; V2811-D2813 WeakPolarHBondContact CG1-OD2 3.26Å | ||
| 2812 | K | 31.9 | Very low | 32.5 | Very low | 178 Ų | 178 | 142.6 Ų | 142.6 | 77% | 0.774 | 73% | 0.725 | S | S | * | * | trans | -106 | 97.4 | 162.5 | -77.9 | -165.1 | 170.3 | -161.5 | 0 | 107.6 | P2810 | P2810-K2812 PolarHBondContact O-N 3.31Å; P2810-K2812 VanDerWaalsContact O-N 3.12Å | ||
| 2813 | D | 28.7 | Very low | 32.5 | Very low | 145 Ų | 145 | 137.7 Ų | 137.7 | 78% | 0.775 | 72% | 0.721 | S | S | * | * | trans | -83.2 | 120.6 | 158.7 | -60.5 | -52.6 | 0 | 0 | 0 | 107 | V2811 | V2811-D2813 WeakPolarHBondContact CG1-OD2 3.26Š| ||
| 2814 | D | 32.9 | Very low | 32.5 | Very low | 145 Ų | 145 | 140.4 Ų | 140.4 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | trans | -135.5 | 138.9 | 165.2 | -88.3 | -55.9 | 0 | 0 | 0 | 106.6 | ||||
| 2815 | E | 29.6 | Very low | 32.1 | Very low | 184 Ų | 184 | 139.9 Ų | 139.9 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | trans | -76.3 | 175.5 | -165.8 | -56.7 | -179.7 | 121.8 | 0 | 0 | 112.8 | ||||
| 2816 | V | 29.9 | Very low | 31.6 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 74% | 0.739 | 75% | 0.748 | S | S | * | * | 175.2 | 134.9 | 85.3 | 155.8 | 0 | 0 | 0 | 0 | 105.1 | |||||
| 2817 | L | 28.3 | Very low | 31.6 | Very low | 137 Ų | 137 | 139.7 Ų | 139.7 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | -172.8 | 121.7 | 70 | -169.3 | 68.2 | 0 | 0 | 0 | 112.7 | |||||
| 2818 | I | 28.5 | Very low | 31.3 | Very low | 141 Ų | 141 | 143.2 Ų | 143.2 | 72% | 0.723 | 76% | 0.763 | S | S | * | * | trans | 63.9 | 138.5 | 146.1 | -63.8 | 177.6 | 0 | 0 | 0 | 117.7 | ||||
| 2819 | T | 30.5 | Very low | 31.1 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | cis | -142.6 | 142.6 | 29 | -13.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 2820 | T | 28.6 | Very low | 30.7 | Very low | 113 Ų | 113 | 144.8 Ų | 144.8 | 69% | 0.693 | 77% | 0.772 | S | S | * | * | trans | 21.4 | 140.1 | 141.2 | 58.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 2821 | T | 29.6 | Very low | 30.3 | Very low | 118 Ų | 118 | 147.1 Ų | 147.1 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | cis | -178 | 175.2 | 4.3 | 21.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 2822 | L | 31.7 | Very low | 30.1 | Very low | 154 Ų | 154 | 148.8 Ų | 148.8 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | cis | -132.7 | 167.6 | 2.8 | -75.3 | 89.8 | 0 | 0 | 0 | 110 | ||||
| 2823 | P | 32.6 | Very low | 30 | Very low | 115 Ų | 115 | 149.2 Ų | 149.2 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | trans | -109.1 | -179 | 173.1 | 41.6 | -33.7 | 0 | 0 | 0 | 114.7 | ||||
| 2824 | E | 34.5 | Very low | 30.2 | Very low | 178 Ų | 178 | 146.9 Ų | 146.9 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | 134.9 | 145.8 | 158.8 | -77.6 | -165.7 | -154 | 0 | 0 | 112.4 | ||||
| 2825 | T | 31.9 | Very low | 30.2 | Very low | 127 Ų | 127 | 146.5 Ų | 146.5 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | cis | -149.6 | -180 | -10 | 8.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2826 | K | 25.3 | Very low | 30.9 | Very low | 190 Ų | 190 | 141.3 Ų | 141.3 | 83% | 0.826 | 76% | 0.761 | S | S | * | * | trans | -82.4 | 156.2 | -173.5 | -57 | 161.9 | 179.7 | 167.7 | 0 | 114.8 | ||||
| 2827 | I | 33.4 | Very low | 31.4 | Very low | 160 Ų | 160 | 140.3 Ų | 140.3 | 82% | 0.821 | 76% | 0.758 | S | S | * | * | trans | -170.9 | 108.9 | 134.7 | -91.7 | 144.1 | 0 | 0 | 0 | 106.3 | ||||
| 2828 | Q | 31.4 | Very low | 32 | Very low | 169 Ų | 169 | 141.4 Ų | 141.4 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | 70.4 | 93.2 | 80.4 | -83.3 | -169.1 | -20.5 | 0 | 0 | 117.3 | |||||
| 2829 | S | 25.9 | Very low | 32.9 | Very low | 101 Ų | 101 | 139 Ų | 139 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | 47.4 | 127.4 | 134.1 | 60.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 2830 | F | 30.4 | Very low | 33.5 | Very low | 216 Ų | 216 | 140 Ų | 140 | 95% | 0.947 | 74% | 0.741 | S | S | * | * | -151.5 | 159.2 | 123.7 | -115.3 | -80.1 | 0 | 0 | 0 | 110.9 | |||||
| 2831 | Q | 27.1 | Very low | 34.1 | Very low | 166 Ų | 166 | 138.7 Ų | 138.7 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | trans | -110.3 | 148.1 | -171.2 | -60.2 | -176.7 | 0.4 | 0 | 0 | 114.3 | ||||
| 2832 | V | 30.1 | Very low | 34.5 | Very low | 152 Ų | 152 | 141.9 Ų | 141.9 | 92% | 0.921 | 74% | 0.741 | S | S | * | * | trans | -144.3 | 159.4 | 140.3 | -177 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 2833 | K | 29.7 | Very low | 34.8 | Very low | 186 Ų | 186 | 139.4 Ų | 139.4 | 81% | 0.809 | 73% | 0.725 | S | S | * | * | trans | -100 | 172.6 | -168.8 | -69 | 177.4 | 176 | 174.4 | 0 | 115.6 | ||||
| 2834 | A | 31.7 | Very low | 35 | Very low | 97 Ų | 97 | 145.3 Ų | 145.3 | 80% | 0.802 | 73% | 0.732 | S | S | * | * | trans | 80.7 | 153.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 2835 | M | 34 | Very low | 35 | Very low | 136 Ų | 136 | 142.1 Ų | 142.1 | 67% | 0.67 | 73% | 0.725 | S | S | * | * | cis | -127.5 | 171.7 | 15.3 | -81.5 | 172.5 | 77 | 0 | 0 | 113 | Q2839 | M2835-Q2839 VanDerWaalsContact CB-OE1 3.23Å; M2835-Q2839 HydrophobicContact CE-CB 3.91Å; M2835-Q2839 HydrophobicContact CE-CG 4.06Å; M2835-Q2839 VanDerWaalsContact CE-OE1 3.23Å | ||
| 2836 | T | 44.2 | Very low | 35 | Very low | 75 Ų | 75 | 143.7 Ų | 143.7 | 46% | 0.46 | 73% | 0.727 | S | S | . | * | trans | -85 | 159.8 | -173.8 | 52.1 | 0 | 0 | 0 | 0 | 114.1 | E2838 Q2839 | T2836-E2838 VanDerWaalsContact C-N 3.26Å; T2836-E2838 PolarHBondContact O-N 2.86Å; T2836-Q2839 VanDerWaalsContact N-OE1 3.17Å; T2836-Q2839 WeakPolarHBondContact O-CB 3Å; T2836-Q2839 PolarHBondContact O-N 3.37Å; T2836-Q2839 PolarHBondContact OG1-OE1 3.35Å | ||
| 2837 | P | 38.9 | Very low | 35.5 | Very low | 102 Ų | 102 | 141.8 Ų | 141.8 | 66% | 0.662 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -59 | -32.3 | -177.8 | -26.3 | 35.7 | 0 | 0 | 0 | 114.6 | Q2839 Q2840 S2841 | P2837-Q2839 PolarHBondContact O-N 2.97Å; P2837-Q2839 VanDerWaalsContact O-N 3.17Å; P2837-Q2840 WeakPolarHBondContact O-CB 3.32Å; P2837-Q2840 PolarHBondContact O-N 3.48Å; P2837-S2841 PolarHBondContact O-N 3.5Å |
| 2838 | E | 41.1 | Very low | 35.4 | Very low | 160 Ų | 160 | 139.1 Ų | 139.1 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -64.8 | -15.8 | 176.5 | -165.1 | 171.4 | -157.3 | 0 | 0 | 113.2 | T2836 S2841 | T2836-E2838 VanDerWaalsContact C-N 3.26Å; T2836-E2838 PolarHBondContact O-N 2.86Å; E2838-S2841 PolarHBondContact O-OG 3.48Å; E2838-S2841 VanDerWaalsContact O-OG 3.14Å |
| 2839 | Q | 47.2 | Very low | 35.6 | Very low | 90 Ų | 90 | 136.1 Ų | 136.1 | 42% | 0.421 | 72% | 0.721 | S | S | . | * | H | α-helix | trans | -92.9 | -16.5 | 174 | -61.9 | 170.9 | -36.9 | 0 | 0 | 111.9 | M2835 T2836 P2837 | M2835-Q2839 VanDerWaalsContact CB-OE1 3.23Å; M2835-Q2839 HydrophobicContact CE-CB 3.91Å; M2835-Q2839 HydrophobicContact CE-CG 4.06Å; M2835-Q2839 VanDerWaalsContact CE-OE1 3.23Å; T2836-Q2839 VanDerWaalsContact N-OE1 3.17Å; T2836-Q2839 WeakPolarHBondContact O-CB 3Å; T2836-Q2839 PolarHBondContact O-N 3.37Å; T2836-Q2839 PolarHBondContact OG1-OE1 3.35Å; P2837-Q2839 PolarHBondContact O-N 2.97Å; P2837-Q2839 VanDerWaalsContact O-N 3.17Å |
| 2840 | Q | 44.1 | Very low | 36 | Very low | 135 Ų | 135 | 142.9 Ų | 142.9 | 63% | 0.631 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -81.9 | -32.5 | 172.7 | -64.7 | -175.3 | -15.4 | 0 | 0 | 112.6 | P2837 K2842 Q2843 | P2837-Q2840 WeakPolarHBondContact O-CB 3.32Å; P2837-Q2840 PolarHBondContact O-N 3.48Å; Q2840-K2842 VanDerWaalsContact C-N 3.34Å; Q2840-K2842 PolarHBondContact O-N 3.31Å; Q2840-Q2843 PolarHBondContact O-N 2.89Å; Q2840-Q2843 VanDerWaalsContact O-N 3.14Å |
| 2841 | S | 40.2 | Very low | 36.1 | Very low | 85 Ų | 85 | 136.1 Ų | 136.1 | 59% | 0.594 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -65.1 | -35.4 | 177.7 | 57.8 | 0 | 0 | 0 | 0 | 112.9 | P2837 E2838 Q2843 | P2837-S2841 PolarHBondContact O-N 3.5Å; E2838-S2841 PolarHBondContact O-OG 3.48Å; E2838-S2841 VanDerWaalsContact O-OG 3.14Å; S2841-Q2843 PolarHBondContact O-N 3.22Å |
| 2842 | K | 38.9 | Very low | 36.3 | Very low | 185 Ų | 185 | 133.6 Ų | 133.6 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 7.6 | 173.5 | -78.3 | 178.5 | 175.8 | 169.2 | 0 | 114.6 | Q2840 | Q2840-K2842 VanDerWaalsContact C-N 3.34Å; Q2840-K2842 PolarHBondContact O-N 3.31Å |
| 2843 | Q | 38.7 | Very low | 36.4 | Very low | 103 Ų | 103 | 133.3 Ų | 133.3 | 48% | 0.481 | 71% | 0.711 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -115.2 | 10.3 | -178.8 | -154.1 | 172.6 | -14.5 | 0 | 0 | 114.4 | Q2840 S2841 | Q2840-Q2843 PolarHBondContact O-N 2.89Å; Q2840-Q2843 VanDerWaalsContact O-N 3.14Å; S2841-Q2843 PolarHBondContact O-N 3.22Å |
| 2844 | R | 36.7 | Very low | 36.5 | Very low | 239 Ų | 239 | 132.8 Ų | 132.8 | 90% | 0.902 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -104.9 | 11 | 166.1 | -73.8 | -169.1 | 174.4 | -173.5 | -0.5 | 114.5 | ||
| 2845 | V | 33.8 | Very low | 36.6 | Very low | 111 Ų | 111 | 132 Ų | 132 | 67% | 0.673 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -114.6 | 126.4 | 161.2 | -179.5 | 0 | 0 | 0 | 0 | 107 | ||
| 2846 | L | 32 | Very low | 36.5 | Very low | 159 Ų | 159 | 131.2 Ų | 131.2 | 83% | 0.832 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 66.4 | 46.8 | 177 | -67 | 164.3 | 0 | 0 | 0 | 117.8 | ||
| 2847 | Q | 35.1 | Very low | 36 | Very low | 151 Ų | 151 | 134 Ų | 134 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | trans | -127.9 | 134.9 | 138.2 | -69.7 | -172.1 | -25.1 | 0 | 0 | 108.3 | ||||
| 2848 | A | 32.7 | Very low | 35.7 | Very low | 104 Ų | 104 | 137 Ų | 137 | 86% | 0.86 | 72% | 0.718 | S | S | * | * | cis | -121.9 | 149.7 | 6.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 2849 | S | 34.1 | Very low | 35.3 | Very low | 105 Ų | 105 | 135.2 Ų | 135.2 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | trans | -146.8 | 151.2 | 161.6 | 64 | 0 | 0 | 0 | 0 | 110 | ||||
| 2850 | R | 34.9 | Very low | 34.5 | Very low | 243 Ų | 243 | 140.1 Ų | 140.1 | 92% | 0.917 | 73% | 0.734 | S | S | * | * | trans | 84 | 117.5 | -179.4 | -61.1 | -176.9 | 165.4 | 170.3 | -3.6 | 118.7 | V2852 | R2850-V2852 HydrophobicContact CB-CG2 4.34Š| ||
| 2851 | G | 33.3 | Very low | 33.9 | Very low | 75 Ų | 75 | 137.2 Ų | 137.2 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | trans | -174.8 | 106 | 154.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 2852 | V | 31.2 | Very low | 33.4 | Very low | 113 Ų | 113 | 142 Ų | 142 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | cis | 128.6 | 115.5 | 8.2 | 162.4 | 0 | 0 | 0 | 0 | 106.3 | R2850 | R2850-V2852 HydrophobicContact CB-CG2 4.34Š| ||
| 2853 | L | 31.5 | Very low | 32.9 | Very low | 146 Ų | 146 | 138.5 Ų | 138.5 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | trans | 69.1 | 149.8 | 179.4 | -52.7 | 166.3 | 0 | 0 | 0 | 114.4 | ||||
| 2854 | Q | 32.1 | Very low | 32.5 | Very low | 175 Ų | 175 | 143.1 Ų | 143.1 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | cis | -157.9 | 178.1 | -7.8 | -128.4 | 168 | -1.6 | 0 | 0 | 111.3 | ||||
| 2855 | A | 33.9 | Very low | 32.1 | Very low | 81 Ų | 81 | 140.7 Ų | 140.7 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | trans | 101.2 | 95.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 2856 | T | 32.6 | Very low | 31.9 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | 42.1 | 142.4 | 122.2 | 58.9 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 2857 | Q | 34 | Very low | 31.8 | Very low | 134 Ų | 134 | 141.9 Ų | 141.9 | 63% | 0.626 | 75% | 0.748 | S | S | * | * | cis | -169.6 | 151.6 | 5.2 | -121.6 | 177.6 | 59 | 0 | 0 | 111.9 | ||||
| 2858 | K | 31 | Very low | 31.8 | Very low | 164 Ų | 164 | 139.9 Ų | 139.9 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | trans | 65.1 | 150.9 | 154.9 | -69.1 | 165.4 | 179.1 | 154.1 | 0 | 117.3 | ||||
| 2859 | N | 33.5 | Very low | 31.9 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 66% | 0.658 | 75% | 0.752 | S | S | * | * | cis | -148.8 | 149 | 5.4 | -114.1 | -19.8 | 0 | 0 | 0 | 112 | ||||
| 2860 | K | 30.8 | Very low | 31.8 | Very low | 193 Ų | 193 | 141.8 Ų | 141.8 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | trans | 8.7 | 143.4 | 141.4 | -45.6 | 175.4 | -175.9 | -172.9 | 0 | 118.6 | ||||
| 2861 | G | 30.3 | Very low | 31.5 | Very low | 74 Ų | 74 | 137 Ų | 137 | 76% | 0.763 | 74% | 0.742 | S | S | * | * | cis | 178.3 | -150.3 | 8.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 2862 | Y | 30.5 | Very low | 31.5 | Very low | 187 Ų | 187 | 144 Ų | 144 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | cis | -169.7 | 102 | -8.9 | -150.5 | -96.3 | 0 | 0 | 0 | 110.7 | ||||
| 2863 | E | 29.3 | Very low | 31.4 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 51% | 0.514 | 76% | 0.756 | S | S | . | * | 89.6 | 148.4 | 111.6 | -151.3 | -167.9 | -105.7 | 0 | 0 | 118.7 | |||||
| 2864 | R | 30 | Very low | 31.5 | Very low | 201 Ų | 201 | 139.3 Ų | 139.3 | 76% | 0.758 | 76% | 0.762 | S | S | * | * | trans | 80.5 | 126.5 | 169.3 | -50 | -176.2 | -169.3 | -143.7 | -13.4 | 117.1 | ||||
| 2865 | Q | 28.3 | Very low | 31.2 | Very low | 187 Ų | 187 | 136.8 Ų | 136.8 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | cis | 96.3 | 125.3 | 29.1 | -71.3 | -170.8 | -7.3 | 0 | 0 | 115.6 | ||||
| 2866 | G | 29.6 | Very low | 31.1 | Very low | 72 Ų | 72 | 137.8 Ų | 137.8 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | trans | -175.7 | 149.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 2867 | W | 28.4 | Very low | 30.8 | Very low | 223 Ų | 223 | 141 Ų | 141 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | -119 | 158.7 | -163 | -81 | 65.3 | 0 | 0 | 0 | 114.9 | ||||
| 2868 | P | 35.9 | Very low | 30.9 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | trans | -103.5 | 170 | -177.9 | 40.7 | -35.9 | 0 | 0 | 0 | 114.8 | ||||
| 2869 | T | 34.6 | Very low | 30.8 | Very low | 152 Ų | 152 | 141.1 Ų | 141.1 | 93% | 0.933 | 79% | 0.791 | S | S | * | * | trans | -143.1 | 173.8 | 164.5 | 43 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 2870 | S | 32.3 | Very low | 30.5 | Very low | 97 Ų | 97 | 141.1 Ų | 141.1 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | trans | -129.8 | 163.6 | -148 | 57.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 2871 | D | 28.4 | Very low | 30.4 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | 45.7 | 116.1 | 145.6 | -50.7 | -19.2 | 0 | 0 | 0 | 121.9 | ||||
| 2872 | F | 34.3 | Very low | 30.3 | Very low | 222 Ų | 222 | 139.7 Ų | 139.7 | 97% | 0.974 | 79% | 0.788 | S | S | * | * | trans | -178.5 | 147.7 | 137.4 | -89.7 | -68.3 | 0 | 0 | 0 | 106 | ||||
| 2873 | G | 28.9 | Very low | 30.2 | Very low | 76 Ų | 76 | 136.7 Ų | 136.7 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | cis | 144.1 | 115.7 | 1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 2874 | G | 32 | Very low | 30.1 | Very low | 86 Ų | 86 | 135.3 Ų | 135.3 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | trans | 166.1 | 154.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 2875 | S | 27.1 | Very low | 30.1 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -137.6 | 138.2 | -168.7 | 55.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 2876 | A | 31.3 | Very low | 30.1 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | -166.8 | 146 | 152.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 2877 | E | 27.5 | Very low | 29.9 | Very low | 185 Ų | 185 | 133.8 Ų | 133.8 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -96.4 | -167.7 | 163.2 | -61.7 | -176.6 | 123 | 0 | 0 | 109.3 | ||||
| 2878 | P | 35.4 | Very low | 29.8 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | -122.2 | 167.8 | -68.5 | 36 | -23.4 | 0 | 0 | 0 | 111.7 | |||||
| 2879 | E | 29.5 | Very low | 29.4 | Very low | 190 Ų | 190 | 136.5 Ų | 136.5 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | trans | -172.9 | -163.1 | 139.3 | -110.7 | 175.2 | -159.1 | 0 | 0 | 112.8 | ||||
| 2880 | T | 27.2 | Very low | 29.2 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | trans | -118.6 | -176.6 | -152.6 | 57.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 2881 | V | 27.2 | Very low | 29.2 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 72% | 0.721 | 82% | 0.815 | S | S | * | * | trans | 87.9 | 93.4 | 164.5 | -171.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 2882 | T | 28.9 | Very low | 29.4 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 73% | 0.73 | 81% | 0.81 | S | S | * | * | trans | 46.1 | 136 | 138.8 | 68.2 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 2883 | S | 28.2 | Very low | 29.4 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | 66.4 | 103.5 | 141.7 | -64.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 2884 | G | 28.2 | Very low | 29.5 | Very low | 80 Ų | 80 | 134.5 Ų | 134.5 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | -151.1 | 67.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 2885 | T | 29.2 | Very low | 29.5 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | trans | -27.4 | 128.4 | 165.8 | -55 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 2886 | I | 27.6 | Very low | 29.7 | Very low | 155 Ų | 155 | 133 Ų | 133 | 80% | 0.795 | 76% | 0.759 | S | S | * | * | trans | -172.7 | 136.8 | 155.7 | -98.7 | 143 | 0 | 0 | 0 | 107.3 | ||||
| 2887 | L | 26.5 | Very low | 29.5 | Very low | 138 Ų | 138 | 135.8 Ų | 135.8 | 72% | 0.723 | 75% | 0.749 | S | S | * | * | cis | -147 | 126.2 | -13.5 | -102.6 | 165.8 | 0 | 0 | 0 | 107.7 | ||||
| 2888 | M | 26.3 | Very low | 29.4 | Very low | 180 Ų | 180 | 134.4 Ų | 134.4 | 89% | 0.887 | 75% | 0.747 | S | S | * | * | trans | -110.1 | 131.7 | 160.6 | -78.5 | -146.4 | -62.6 | 0 | 0 | 109.8 | N2890 | M2888-N2890 PolarHBondContact O-N 2.95Å; M2888-N2890 VanDerWaalsContact O-N 3.07Å | ||
| 2889 | F | 28 | Very low | 29.1 | Very low | 208 Ų | 208 | 133.3 Ų | 133.3 | 91% | 0.912 | 75% | 0.748 | S | S | * | * | trans | -71.8 | 102.4 | 176.5 | -85.2 | -88.8 | 0 | 0 | 0 | 110.7 | ||||
| 2890 | N | 30.2 | Very low | 28.9 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 61% | 0.61 | 74% | 0.744 | S | S | * | * | trans | -95.2 | 155 | 179.9 | -156.4 | 0.7 | 0 | 0 | 0 | 111.2 | M2888 E2892 | M2888-N2890 PolarHBondContact O-N 2.95Å; M2888-N2890 VanDerWaalsContact O-N 3.07Å; N2890-E2892 WeakPolarHBondContact ND2-CG 3.31Å; N2890-E2892 PolarHBondContact ND2-OE1 3.26Å; N2890-E2892 PolarHBondContact ND2-OE2 2.94Å; N2890-E2892 WeakPolarHBondContact OD1-CG 3.31Å | ||
| 2891 | K | 31.5 | Very low | 28.8 | Very low | 205 Ų | 205 | 137.6 Ų | 137.6 | 89% | 0.891 | 75% | 0.749 | S | S | * | * | trans | -148.8 | 90.9 | 168.4 | -161 | 168.3 | -172.3 | 173.4 | 0 | 112 | ||||
| 2892 | E | 33.2 | Very low | 29 | Very low | 139 Ų | 139 | 139.6 Ų | 139.6 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | trans | -96.3 | -165.6 | -175.2 | -62.4 | 171.9 | 147.6 | 0 | 0 | 112.5 | N2890 | N2890-E2892 WeakPolarHBondContact ND2-CG 3.31Å; N2890-E2892 PolarHBondContact ND2-OE1 3.26Å; N2890-E2892 PolarHBondContact ND2-OE2 2.94Å; N2890-E2892 WeakPolarHBondContact OD1-CG 3.31Å | ||
| 2893 | N | 33 | Very low | 29.2 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | 95.2 | 121.8 | 167.7 | -55.8 | -27.3 | 0 | 0 | 0 | 118.2 | Q2962 | N2893-Q2962 VanDerWaalsContact CG-NE2 3.27Å; N2893-Q2962 PolarHBondContact OD1-NE2 3.45Å; N2893-Q2962 VanDerWaalsContact OD1-NE2 3.09Å | ||
| 2894 | A | 31.3 | Very low | 29.1 | Very low | 57 Ų | 57 | 141.4 Ų | 141.4 | 47% | 0.471 | 75% | 0.748 | S | S | . | * | trans | -166.4 | 124.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A2961 Q2962 | A2894-A2961 CarbonylContact O-C 3.1Å; A2894-Q2962 WeakPolarHBondContact O-CB 3.46Å; A2894-Q2962 PolarHBondContact O-OE1 3.37Å | ||
| 2895 | T | 33.3 | Very low | 29.3 | Very low | 92 Ų | 92 | 144.3 Ų | 144.3 | 56% | 0.564 | 75% | 0.745 | S | S | * | * | trans | -93.9 | 175.1 | -169.6 | 25.9 | 0 | 0 | 0 | 0 | 115.6 | Q2962 | T2895-Q2962 HydrophobicContact CG2-CB 4.17Å; T2895-Q2962 HydrophobicContact CG2-CG 4.04Å | ||
| 2896 | A | 30.9 | Very low | 29.3 | Very low | 84 Ų | 84 | 143.4 Ų | 143.4 | 69% | 0.694 | 73% | 0.731 | S | S | * | * | cis | -154.5 | -169.5 | 27.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 2897 | Y | 26.1 | Very low | 29.3 | Very low | 161 Ų | 161 | 145 Ų | 145 | 63% | 0.631 | 73% | 0.727 | S | S | * | * | trans | -109.2 | 154.8 | -178 | -113.4 | -132 | 0 | 0 | 0 | 113.7 | ||||
| 2898 | L | 26.6 | Very low | 29.4 | Very low | 156 Ų | 156 | 147.7 Ų | 147.7 | 82% | 0.817 | 73% | 0.728 | S | S | * | * | trans | 51.9 | 174.3 | 144.2 | -69.9 | -175.5 | 0 | 0 | 0 | 123.5 | ||||
| 2899 | A | 27.6 | Very low | 29.8 | Very low | 88 Ų | 88 | 145.6 Ų | 145.6 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | trans | 66 | 114.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 2900 | Q | 25.3 | Very low | 30 | Very low | 173 Ų | 173 | 142.4 Ų | 142.4 | 81% | 0.808 | 71% | 0.706 | S | S | * | * | 64.6 | 133.4 | 69.5 | -72.1 | -159.8 | 8.7 | 0 | 0 | 115.3 | |||||
| 2901 | R | 25 | Very low | 30 | Very low | 229 Ų | 229 | 141.5 Ų | 141.5 | 86% | 0.864 | 71% | 0.705 | S | S | * | * | trans | 72.6 | 120.5 | 172.6 | -57 | -176.6 | -178.5 | -152.4 | -2.7 | 116.3 | ||||
| 2902 | Q | 32.3 | Very low | 30.1 | Very low | 161 Ų | 161 | 139.1 Ų | 139.1 | 75% | 0.752 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 159.8 | 156.1 | -62.9 | 175.9 | -15.3 | 0 | 0 | 109.8 | ||
| 2903 | P | 33 | Very low | 30 | Very low | 126 Ų | 126 | 142.3 Ų | 142.3 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | -98.7 | 129.5 | 124.3 | -19.3 | 33.8 | 0 | 0 | 0 | 111.1 | |||
| 2904 | Q | 26.6 | Very low | 30 | Very low | 155 Ų | 155 | 141.9 Ų | 141.9 | 72% | 0.724 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 139.4 | 142.9 | -67.5 | -176.1 | -23.4 | 0 | 0 | 106.8 | ||
| 2905 | D | 31.5 | Very low | 29.8 | Very low | 142 Ų | 142 | 145.6 Ų | 145.6 | 76% | 0.759 | 71% | 0.712 | S | S | * | * | trans | 162.2 | 143.8 | 147.3 | -87.6 | -11.5 | 0 | 0 | 0 | 110.5 | ||||
| 2906 | E | 28.7 | Very low | 29.7 | Very low | 116 Ų | 116 | 151.9 Ų | 151.9 | 54% | 0.542 | 73% | 0.726 | S | S | . | * | cis | -167.9 | 149.5 | -26 | -134.9 | -165.2 | 152.8 | 0 | 0 | 109.9 | ||||
| 2907 | R | 29.4 | Very low | 30.1 | Very low | 188 Ų | 188 | 153 Ų | 153 | 71% | 0.709 | 73% | 0.726 | S | S | * | * | trans | 65.1 | 154.4 | 161.3 | -53.9 | 176.1 | -146 | -115.7 | -0.4 | 115.4 | ||||
| 2908 | R | 28.1 | Very low | 30.5 | Very low | 196 Ų | 196 | 154.1 Ų | 154.1 | 74% | 0.74 | 74% | 0.736 | S | S | * | * | cis | -159.9 | 165.2 | -3.5 | -132.3 | 179.3 | 158.7 | 152.3 | -3.8 | 111.3 | ||||
| 2909 | I | 34.4 | Very low | 30.7 | Very low | 136 Ų | 136 | 152.1 Ų | 152.1 | 70% | 0.697 | 73% | 0.731 | S | S | * | * | trans | 70.8 | 127.1 | 151.5 | -72.7 | 160.6 | 0 | 0 | 0 | 117.6 | ||||
| 2910 | E | 31.4 | Very low | 30.8 | Very low | 141 Ų | 141 | 159.2 Ų | 159.2 | 66% | 0.659 | 74% | 0.739 | S | S | * | * | cis | -164.2 | 161.1 | -18.8 | -154.8 | 58 | -125.9 | 0 | 0 | 110.2 | ||||
| 2911 | T | 30.7 | Very low | 30.9 | Very low | 94 Ų | 94 | 156 Ų | 156 | 58% | 0.577 | 74% | 0.742 | S | S | * | * | trans | 23.9 | 125.5 | 159.3 | 49.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 2912 | Q | 33.2 | Very low | 31.1 | Very low | 156 Ų | 156 | 149 Ų | 149 | 73% | 0.729 | 74% | 0.741 | S | S | * | * | cis | 93.5 | 157.6 | 47.2 | -78.8 | -173 | 8.2 | 0 | 0 | 116 | ||||
| 2913 | R | 31.7 | Very low | 30.9 | Very low | 205 Ų | 205 | 149.5 Ų | 149.5 | 77% | 0.774 | 75% | 0.745 | S | S | * | * | trans | 85 | 139.9 | 161.5 | -51.9 | -169.3 | -179 | 175.2 | -0.8 | 116.5 | ||||
| 2914 | N | 31.9 | Very low | 30.7 | Very low | 123 Ų | 123 | 152.4 Ų | 152.4 | 66% | 0.658 | 75% | 0.748 | S | S | * | * | cis | -157.7 | 144.5 | -10.2 | -105.1 | -8.4 | 0 | 0 | 0 | 108.6 | ||||
| 2915 | L | 28.5 | Very low | 30.8 | Very low | 136 Ų | 136 | 148.8 Ų | 148.8 | 71% | 0.712 | 75% | 0.752 | S | S | * | * | 48.8 | 129.4 | 92.1 | -63.8 | 178 | 0 | 0 | 0 | 114.1 | |||||
| 2916 | R | 30.6 | Very low | 30.8 | Very low | 224 Ų | 224 | 152 Ų | 152 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | cis | -156.1 | 175 | 19.9 | -106.5 | 166.6 | -161.1 | -146.2 | 6.3 | 112.4 | ||||
| 2917 | P | 39.5 | Very low | 31 | Very low | 108 Ų | 108 | 152.5 Ų | 152.5 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | trans | -107.4 | 174.6 | -178 | 41.4 | -34.7 | 0 | 0 | 0 | 115 | ||||
| 2918 | H | 33.8 | Very low | 31 | Very low | 184 Ų | 184 | 149.1 Ų | 149.1 | 85% | 0.852 | 77% | 0.773 | S | S | * | * | trans | -168.1 | -177 | 141.3 | -111.1 | -68.9 | 0 | 0 | 0 | 115.4 | ||||
| 2919 | T | 31.7 | Very low | 31.1 | Very low | 114 Ų | 114 | 147.7 Ų | 147.7 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | -111.8 | 162.5 | -149.5 | 45.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 2920 | R | 28.4 | Very low | 30.8 | Very low | 237 Ų | 237 | 147.9 Ų | 147.9 | 89% | 0.894 | 78% | 0.776 | S | S | * | * | 112.6 | 131.7 | 127.7 | -135.7 | 179.3 | -166.4 | 177.6 | 3.8 | 120.6 | |||||
| 2921 | A | 28.9 | Very low | 30.6 | Very low | 105 Ų | 105 | 145.5 Ų | 145.5 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | trans | 68.8 | 148.7 | 150.3 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 2922 | G | 29.8 | Very low | 30.6 | Very low | 82 Ų | 82 | 147.1 Ų | 147.1 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | 160.8 | 134.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2923 | M | 27.4 | Very low | 30.2 | Very low | 171 Ų | 171 | 150.3 Ų | 150.3 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | trans | -111.6 | 162 | -172 | -77.3 | -172.1 | 173.2 | 0 | 0 | 114.3 | ||||
| 2924 | Q | 28.1 | Very low | 29.8 | Very low | 188 Ų | 188 | 147.1 Ų | 147.1 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | 68.1 | 152.7 | 152.7 | -71.4 | 162.9 | 26.7 | 0 | 0 | 119.7 | ||||
| 2925 | G | 29.4 | Very low | 29.6 | Very low | 79 Ų | 79 | 148.1 Ų | 148.1 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | trans | 130.6 | 104.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 2926 | K | 30.3 | Very low | 29.4 | Very low | 209 Ų | 209 | 146 Ų | 146 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -94.9 | 154 | 147.5 | -97.9 | -177.2 | -179.7 | -179.8 | 0 | 106.5 | ||||
| 2927 | P | 34.6 | Very low | 29.2 | Very low | 127 Ų | 127 | 146.2 Ų | 146.2 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | -150.2 | -139.5 | 59.8 | 43.6 | -21.6 | 0 | 0 | 0 | 115.2 | |||||
| 2928 | T | 28.6 | Very low | 28.6 | Very low | 117 Ų | 117 | 146.7 Ų | 146.7 | 72% | 0.718 | 80% | 0.8 | S | S | * | * | trans | -97.8 | 155.6 | -153.9 | 40.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 2929 | Q | 30.2 | Very low | 28.5 | Very low | 165 Ų | 165 | 144.2 Ų | 144.2 | 77% | 0.771 | 80% | 0.798 | S | S | * | * | trans | 89.5 | 148.2 | 134.6 | -92.8 | -178.7 | 24.1 | 0 | 0 | 122.9 | ||||
| 2930 | I | 28.2 | Very low | 28.6 | Very low | 141 Ų | 141 | 144.4 Ų | 144.4 | 72% | 0.723 | 80% | 0.801 | S | S | * | * | trans | 75.8 | 89.9 | 152.9 | -65 | 159.5 | 0 | 0 | 0 | 118.8 | ||||
| 2931 | A | 28 | Very low | 29 | Very low | 91 Ų | 91 | 144 Ų | 144 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | 66.9 | 179.9 | 125.8 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 2932 | T | 28.8 | Very low | 29.2 | Very low | 128 Ų | 128 | 145.2 Ų | 145.2 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | 82.9 | 92.3 | 178.5 | -44.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 2933 | R | 25.7 | Very low | 29.5 | Very low | 223 Ų | 223 | 146.5 Ų | 146.5 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | 38.8 | 134 | 123.3 | -89.6 | -177.7 | 178.1 | 178.5 | 0.1 | 121 | |||||
| 2934 | L | 24.4 | Very low | 30 | Very low | 138 Ų | 138 | 144 Ų | 144 | 72% | 0.723 | 78% | 0.783 | S | S | * | * | trans | 89.8 | 137.2 | 135.8 | -69.6 | 166 | 0 | 0 | 0 | 121.5 | ||||
| 2935 | I | 26.7 | Very low | 30.2 | Very low | 144 Ų | 144 | 140.9 Ų | 140.9 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | trans | 66.7 | 86.4 | 143.1 | -60.1 | 164 | 0 | 0 | 0 | 118.7 | ||||
| 2936 | A | 25 | Very low | 30.2 | Very low | 90 Ų | 90 | 145.7 Ų | 145.7 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | 62.5 | 160.5 | 111 | 0 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 2937 | R | 25.4 | Very low | 30.3 | Very low | 230 Ų | 230 | 141.6 Ų | 141.6 | 87% | 0.868 | 76% | 0.758 | S | S | * | * | trans | 83.8 | 102.4 | 158.4 | -71.4 | -173.6 | 174.4 | -176.7 | -1.6 | 120.8 | ||||
| 2938 | T | 26.6 | Very low | 30.3 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 72% | 0.718 | 75% | 0.75 | S | S | * | * | 72.7 | 114.4 | 125.6 | 56.5 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 2939 | V | 31.4 | Very low | 30.2 | Very low | 133 Ų | 133 | 139.6 Ų | 139.6 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | 71.8 | 151.5 | 124.9 | 174.4 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 2940 | P | 35.6 | Very low | 30.3 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | cis | -119.5 | -174.3 | 2.1 | 21.2 | 3.3 | 0 | 0 | 0 | 115.8 | ||||
| 2941 | R | 36.3 | Very low | 30.2 | Very low | 227 Ų | 227 | 134.9 Ų | 134.9 | 86% | 0.857 | 75% | 0.75 | S | S | * | * | trans | -74.7 | 170.8 | 165.4 | -59.5 | -177.5 | -179.1 | -175.5 | 0.4 | 111.8 | ||||
| 2942 | P | 32 | Very low | 30.2 | Very low | 131 Ų | 131 | 141.5 Ų | 141.5 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | -130.1 | 165.6 | 109.4 | 38.1 | -33.3 | 0 | 0 | 0 | 114.4 | |||||
| 2943 | N | 36.8 | Very low | 30 | Very low | 110 Ų | 110 | 141.3 Ų | 141.3 | 59% | 0.588 | 75% | 0.745 | S | S | * | * | trans | -138.9 | 143.1 | 169.5 | 173 | 56.4 | 0 | 0 | 0 | 108.3 | N2945 | N2943-N2945 PolarHBondContact ND2-OD1 3.48Š| ||
| 2944 | P | 37.5 | Very low | 30 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | trans | -123.1 | 128.5 | 152.1 | 32.1 | -18.6 | 0 | 0 | 0 | 112 | ||||
| 2945 | N | 33 | Very low | 30.1 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 65% | 0.652 | 73% | 0.73 | S | S | * | * | trans | -73.9 | 162.4 | 167 | -56.5 | -25.2 | 0 | 0 | 0 | 110.5 | N2943 | N2943-N2945 PolarHBondContact ND2-OD1 3.48Š| ||
| 2946 | F | 29.9 | Very low | 30.1 | Very low | 181 Ų | 181 | 140.6 Ų | 140.6 | 79% | 0.794 | 74% | 0.735 | S | S | * | * | 178.9 | 120.7 | 122.8 | -109.9 | -118.4 | 0 | 0 | 0 | 106.8 | |||||
| 2947 | I | 31.2 | Very low | 30.1 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 63% | 0.626 | 73% | 0.728 | S | S | * | * | 89.5 | 134.2 | 66.4 | -85.4 | 169.4 | 0 | 0 | 0 | 111.9 | |||||
| 2948 | P | 35.5 | Very low | 30.1 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 67% | 0.669 | 73% | 0.731 | S | S | * | * | cis | -143.2 | 178.2 | -15.4 | 40.8 | -21.7 | 0 | 0 | 0 | 117.3 | ||||
| 2949 | S | 25.9 | Very low | 30.1 | Very low | 100 Ų | 100 | 142 Ų | 142 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | trans | 24.5 | 123.2 | 145.1 | 63.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 2950 | A | 32.2 | Very low | 30.1 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 89% | 0.893 | 73% | 0.729 | S | S | * | * | trans | -144.4 | 81.5 | 139.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 2951 | T | 26.9 | Very low | 29.7 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 61% | 0.607 | 72% | 0.72 | S | S | * | * | trans | -93.6 | 121.5 | -174.5 | -50.6 | 0 | 0 | 0 | 0 | 111.4 | Q2953 | T2951-Q2953 HydrophobicContact CG2-CG 3.95Å; T2951-Q2953 VanDerWaalsContact CG2-OE1 3.32Å | ||
| 2952 | R | 27 | Very low | 29.3 | Very low | 230 Ų | 230 | 130.2 Ų | 130.2 | 87% | 0.868 | 69% | 0.69 | S | S | * | * | trans | -122.7 | 101.8 | 145.3 | -87.5 | -164 | 174.5 | -161.3 | -0.4 | 109.3 | ||||
| 2953 | Q | 25.5 | Very low | 29 | Very low | 124 Ų | 124 | 128 Ų | 128 | 58% | 0.579 | 67% | 0.674 | S | S | * | * | trans | -67.5 | 145.4 | 158.8 | -67.5 | 139.2 | -80.1 | 0 | 0 | 108.5 | T2951 Q2955 | T2951-Q2953 HydrophobicContact CG2-CG 3.95Å; T2951-Q2953 VanDerWaalsContact CG2-OE1 3.32Å; Q2953-Q2955 HydrophobicContact CB-CB 4.45Å; Q2953-Q2955 HydrophobicContact CB-CG 4.49Å | ||
| 2954 | F | 26 | Very low | 28.7 | Very low | 168 Ų | 168 | 129.7 Ų | 129.7 | 74% | 0.737 | 68% | 0.678 | S | S | * | * | trans | -113.2 | 71 | 139 | -90 | -67.5 | 0 | 0 | 0 | 108.5 | Y2956 | F2954-Y2956 HydrophobicContact CD1-CD2 4.23Å; F2954-Y2956 AromaticContact CD1-CE2 3.91Å; F2954-Y2956 HydrophobicContact CD1-CE2 3.91Å; F2954-Y2956 HydrophobicContact CE1-CE2 4.01Å | ||
| 2955 | Q | 25.3 | Very low | 28.2 | Very low | 108 Ų | 108 | 128.9 Ų | 128.9 | 51% | 0.505 | 67% | 0.671 | S | S | . | * | trans | -85.1 | 107.4 | 152.6 | -74.3 | 178.3 | -70.7 | 0 | 0 | 106.6 | Q2953 H2957 | Q2953-Q2955 HydrophobicContact CB-CB 4.45Å; Q2953-Q2955 HydrophobicContact CB-CG 4.49Å; Q2955-H2957 PolarHBondContact NE2-CE1 3.2Å; Q2955-H2957 VanDerWaalsContact NE2-CE1 3.25Å; Q2955-H2957 PolarHBondContact NE2-NE2 3.34Å; Q2955-H2957 PolarHBondContact O-N 3.49Å | ||
| 2956 | Y | 26.6 | Very low | 27.9 | Very low | 214 Ų | 214 | 130.6 Ų | 130.6 | 84% | 0.839 | 68% | 0.675 | S | S | * | * | trans | -81 | 95.1 | 154.2 | -94.1 | -71.4 | 0 | 0 | 0 | 108.1 | F2954 | F2954-Y2956 HydrophobicContact CD1-CD2 4.23Å; F2954-Y2956 AromaticContact CD1-CE2 3.91Å; F2954-Y2956 HydrophobicContact CD1-CE2 3.91Å; F2954-Y2956 HydrophobicContact CE1-CE2 4.01Å | ||
| 2957 | H | 26.2 | Very low | 27.8 | Very low | 128 Ų | 128 | 129 Ų | 129 | 59% | 0.593 | 67% | 0.674 | S | S | * | * | trans | -71.5 | 140.5 | 175 | -90.5 | -43.8 | 0 | 0 | 0 | 111 | Q2955 V2959 | Q2955-H2957 PolarHBondContact NE2-CE1 3.2Å; Q2955-H2957 VanDerWaalsContact NE2-CE1 3.25Å; Q2955-H2957 PolarHBondContact NE2-NE2 3.34Å; Q2955-H2957 PolarHBondContact O-N 3.49Å; H2957-V2959 HydrophobicContact CB-CG2 4.12Å; H2957-V2959 PolarHBondContact O-N 2.9Å | ||
| 2958 | K | 24.6 | Very low | 27.5 | Very low | 215 Ų | 215 | 126.2 Ų | 126.2 | 94% | 0.935 | 68% | 0.676 | S | S | * | * | trans | -55.4 | 122.1 | 151.7 | -86.9 | -179.6 | 167.8 | 179.7 | 0 | 109.1 | ||||
| 2959 | V | 27.1 | Very low | 27.1 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 74% | 0.739 | 69% | 0.686 | S | S | * | * | trans | -136.1 | 140 | 168 | -175.1 | 0 | 0 | 0 | 0 | 107.1 | H2957 | H2957-V2959 HydrophobicContact CB-CG2 4.12Å; H2957-V2959 PolarHBondContact O-N 2.9Å | ||
| 2960 | P | 30.6 | Very low | 27.1 | Very low | 115 Ų | 115 | 128.5 Ų | 128.5 | 75% | 0.747 | 69% | 0.685 | S | S | * | * | trans | -95.5 | -169.2 | -164 | 38.8 | -38.1 | 0 | 0 | 0 | 115.6 | ||||
| 2961 | A | 27.2 | Very low | 26.7 | Very low | 70 Ų | 70 | 128.4 Ų | 128.4 | 58% | 0.579 | 68% | 0.677 | S | S | * | * | trans | -68.3 | -175 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A2894 | A2894-A2961 CarbonylContact O-C 3.1Š| ||
| 2962 | Q | 27.6 | Very low | 26.6 | Very low | 46 Ų | 46 | 129.5 Ų | 129.5 | 22% | 0.215 | 69% | 0.689 | C | S | . | * | cis | -163.2 | 174.4 | 32.4 | 161.7 | -178.4 | 20.3 | 0 | 0 | 113.1 | N2893 A2894 T2895 | N2893-Q2962 VanDerWaalsContact CG-NE2 3.27Å; N2893-Q2962 PolarHBondContact OD1-NE2 3.45Å; N2893-Q2962 VanDerWaalsContact OD1-NE2 3.09Å; A2894-Q2962 WeakPolarHBondContact O-CB 3.46Å; A2894-Q2962 PolarHBondContact O-OE1 3.37Å; T2895-Q2962 HydrophobicContact CG2-CB 4.17Å; T2895-Q2962 HydrophobicContact CG2-CG 4.04Å | ||
| 2963 | T | 27.4 | Very low | 26.5 | Very low | 84 Ų | 84 | 122.2 Ų | 122.2 | 52% | 0.515 | 68% | 0.678 | S | S | . | * | trans | -38.3 | 156.9 | 169.1 | 63.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 2964 | Q | 29.5 | Very low | 26.5 | Very low | 146 Ų | 146 | 122.8 Ų | 122.8 | 68% | 0.682 | 69% | 0.69 | S | S | * | * | -157.9 | 124.5 | 121.8 | -99.5 | 167.9 | -0.8 | 0 | 0 | 106.4 | |||||
| 2965 | T | 27.2 | Very low | 26.6 | Very low | 101 Ų | 101 | 121.6 Ų | 121.6 | 62% | 0.62 | 69% | 0.69 | S | S | * | * | 62.2 | 99.8 | 51.4 | 69 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 2966 | H | 27.4 | Very low | 26.9 | Very low | 159 Ų | 159 | 124.2 Ų | 124.2 | 74% | 0.736 | 70% | 0.702 | S | S | * | * | -170.5 | 144.9 | 114 | -110.4 | -81 | 0 | 0 | 0 | 111.1 | |||||
| 2967 | D | 27.3 | Very low | 26.9 | Very low | 146 Ų | 146 | 119.3 Ų | 119.3 | 78% | 0.781 | 70% | 0.696 | S | S | * | * | trans | 51.3 | 150.8 | 154.7 | -45.3 | -27.5 | 0 | 0 | 0 | 119 | ||||
| 2968 | G | 24.6 | Very low | 26.9 | Very low | 64 Ų | 64 | 119 Ų | 119 | 66% | 0.66 | 70% | 0.697 | S | S | * | * | cis | 125.1 | 146 | 9.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 2969 | I | 26.3 | Very low | 27 | Very low | 171 Ų | 171 | 115.9 Ų | 115.9 | 88% | 0.877 | 69% | 0.686 | S | S | * | * | trans | 79.4 | 108.1 | 175.8 | -54 | 171.5 | 0 | 0 | 0 | 116.5 | ||||
| 2970 | A | 26.1 | Very low | 26.9 | Very low | 81 Ų | 81 | 115.5 Ų | 115.5 | 67% | 0.669 | 68% | 0.68 | S | S | * | * | trans | 54.1 | 121.3 | 138 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 2971 | S | 25.1 | Very low | 26.8 | Very low | 105 Ų | 105 | 116.8 Ų | 116.8 | 73% | 0.734 | 68% | 0.676 | S | S | * | * | 57.4 | 128 | 118.2 | -51 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 2972 | S | 24.3 | Very low | 26.8 | Very low | 123 Ų | 123 | 121 Ų | 121 | 86% | 0.86 | 68% | 0.683 | S | S | * | * | trans | 67.9 | 163.3 | 151.8 | 79.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 2973 | A | 25.1 | Very low | 27.2 | Very low | 76 Ų | 76 | 123.9 Ų | 123.9 | 63% | 0.628 | 71% | 0.706 | S | S | * | * | cis | -169 | 140.7 | -36.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 2974 | T | 24.8 | Very low | 27.3 | Very low | 136 Ų | 136 | 127.2 Ų | 127.2 | 83% | 0.834 | 72% | 0.719 | S | S | * | * | trans | 69.8 | 173.7 | 152.8 | -43.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 2975 | I | 27.4 | Very low | 27.4 | Very low | 144 Ų | 144 | 128.8 Ų | 128.8 | 74% | 0.738 | 73% | 0.726 | S | S | * | * | trans | 84.3 | 97.5 | 164 | -50 | -176.3 | 0 | 0 | 0 | 116.9 | ||||
| 2976 | Q | 32.7 | Very low | 27.5 | Very low | 163 Ų | 163 | 130.8 Ų | 130.8 | 76% | 0.762 | 73% | 0.728 | S | S | * | * | trans | -69.8 | 150.8 | 148.4 | -62.4 | 175.4 | -20.3 | 0 | 0 | 109.9 | I2978 | Q2976-I2978 HydrophobicContact CB-CG1 4.37Š| ||
| 2977 | P | 27.4 | Very low | 27.8 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 71% | 0.714 | 73% | 0.728 | S | S | * | * | -121 | 147 | 105 | -4.6 | 25.3 | 0 | 0 | 0 | 111.5 | |||||
| 2978 | I | 25.8 | Very low | 27.8 | Very low | 121 Ų | 121 | 126.4 Ų | 126.4 | 62% | 0.621 | 72% | 0.716 | S | S | * | * | cis | 74.2 | 145.2 | 45.2 | -52.5 | 160.3 | 0 | 0 | 0 | 112.3 | Q2976 | Q2976-I2978 HydrophobicContact CB-CG1 4.37Š| ||
| 2979 | Q | 26.5 | Very low | 28.1 | Very low | 150 Ų | 150 | 134.5 Ų | 134.5 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | trans | 88.7 | 137 | 175.7 | -60.8 | -55.6 | -94.7 | 0 | 0 | 116 | ||||
| 2980 | L | 24.9 | Very low | 28.2 | Very low | 115 Ų | 115 | 133 Ų | 133 | 60% | 0.602 | 72% | 0.72 | S | S | * | * | cis | -153.3 | 147 | -0.4 | -94.2 | 142.7 | 0 | 0 | 0 | 111.4 | ||||
| 2981 | Q | 27.5 | Very low | 28.4 | Very low | 142 Ų | 142 | 136.1 Ų | 136.1 | 66% | 0.664 | 72% | 0.724 | S | S | * | * | trans | 59.5 | 149.3 | 141.1 | -62.5 | 178.5 | -44.8 | 0 | 0 | 121.7 | ||||
| 2982 | H | 27.3 | Very low | 28.7 | Very low | 159 Ų | 159 | 138.7 Ų | 138.7 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | cis | -155 | 164.1 | -13.2 | -110.2 | -24.3 | 0 | 0 | 0 | 110.8 | ||||
| 2983 | P | 36.1 | Very low | 28.9 | Very low | 106 Ų | 106 | 140.4 Ų | 140.4 | 69% | 0.688 | 72% | 0.719 | S | S | * | * | trans | -104 | -178.6 | -169.9 | 41.8 | -37.4 | 0 | 0 | 0 | 114.3 | ||||
| 2984 | I | 30 | Very low | 29.2 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | trans | -158.7 | 132.9 | 147.9 | -112.5 | 158.6 | 0 | 0 | 0 | 114.8 | ||||
| 2985 | H | 31.7 | Very low | 29.4 | Very low | 178 Ų | 178 | 144.3 Ų | 144.3 | 82% | 0.824 | 73% | 0.729 | S | S | * | * | trans | 53.4 | 126.7 | 161.9 | -71.3 | -66.9 | 0 | 0 | 0 | 126.2 | ||||
| 2986 | Q | 29.3 | Very low | 29.5 | Very low | 144 Ų | 144 | 141.3 Ų | 141.3 | 67% | 0.673 | 73% | 0.733 | S | S | * | * | trans | -94.6 | -175.5 | 156.6 | -49.7 | 169.6 | -60.5 | 0 | 0 | 110.8 | N2988 | Q2986-N2988 PolarHBondContact NE2-OD1 3.43Å; Q2986-N2988 PolarHBondContact OE1-ND2 3.08Å; Q2986-N2988 PolarHBondContact OE1-OD1 3.14Å | ||
| 2987 | P | 33.2 | Very low | 29.3 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | -124.1 | 151.3 | 73.9 | 7.6 | 15.8 | 0 | 0 | 0 | 112.8 | |||||
| 2988 | N | 28.9 | Very low | 29.5 | Very low | 99 Ų | 99 | 141.4 Ų | 141.4 | 53% | 0.529 | 74% | 0.735 | S | S | . | * | 61.8 | 140.4 | 61.4 | -57.3 | -33.3 | 0 | 0 | 0 | 112.1 | Q2986 | Q2986-N2988 PolarHBondContact NE2-OD1 3.43Å; Q2986-N2988 PolarHBondContact OE1-ND2 3.08Å; Q2986-N2988 PolarHBondContact OE1-OD1 3.14Å | |||
| 2989 | W | 30.8 | Very low | 29.9 | Very low | 234 Ų | 234 | 139 Ų | 139 | 89% | 0.886 | 73% | 0.729 | S | S | * | * | cis | -126.1 | 141.4 | 41.6 | -67.5 | 5.9 | 0 | 0 | 0 | 111.6 | ||||
| 2990 | L | 27.1 | Very low | 30.2 | Very low | 139 Ų | 139 | 136.7 Ų | 136.7 | 73% | 0.728 | 72% | 0.722 | S | S | * | * | 60.9 | 133.7 | 79.8 | -73.6 | 157.6 | 0 | 0 | 0 | 113 | |||||
| 2991 | I | 30.8 | Very low | 30.5 | Very low | 148 Ų | 148 | 135 Ų | 135 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | cis | -149.9 | 136.2 | 46.7 | -83.3 | -174.2 | 0 | 0 | 0 | 114.4 | ||||
| 2992 | H | 31.2 | Very low | 30.6 | Very low | 159 Ų | 159 | 134.5 Ų | 134.5 | 74% | 0.736 | 70% | 0.703 | S | S | * | * | trans | 56.5 | 127.7 | 150.6 | -81 | -99.2 | 0 | 0 | 0 | 125.8 | ||||
| 2993 | E | 27.9 | Very low | 30.8 | Very low | 159 Ų | 159 | 134.5 Ų | 134.5 | 74% | 0.743 | 71% | 0.708 | S | S | * | * | trans | -78.2 | 170.3 | 153.7 | -50.1 | 147.9 | 115.7 | 0 | 0 | 111.6 | ||||
| 2994 | N | 31.4 | Very low | 30.4 | Very low | 163 Ų | 163 | 136.1 Ų | 136.1 | 87% | 0.872 | 72% | 0.716 | S | S | * | * | -152.7 | 143.2 | 123.4 | -126 | -15.1 | 0 | 0 | 0 | 111.5 | |||||
| 2995 | T | 29.6 | Very low | 30.3 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | trans | -104.4 | 154.1 | -174.2 | 48.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 2996 | G | 29.6 | Very low | 30.2 | Very low | 80 Ų | 80 | 132.3 Ų | 132.3 | 83% | 0.825 | 71% | 0.708 | S | S | * | * | trans | -165.1 | 93.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2997 | S | 28.8 | Very low | 30.4 | Very low | 107 Ų | 107 | 132.7 Ų | 132.7 | 75% | 0.748 | 71% | 0.71 | S | S | * | * | trans | -82.4 | 137.1 | 176.2 | 51 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2998 | H | 32.3 | Very low | 30.2 | Very low | 168 Ų | 168 | 132.5 Ų | 132.5 | 78% | 0.778 | 71% | 0.707 | S | S | * | * | -171.1 | 145.1 | 125.7 | -116.7 | -85 | 0 | 0 | 0 | 115.3 | |||||
| 2999 | S | 32.7 | Very low | 30.4 | Very low | 70 Ų | 70 | 135.8 Ų | 135.8 | 49% | 0.49 | 72% | 0.724 | S | S | . | * | trans | 24.5 | 121.8 | 148.7 | 47.3 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 3000 | D | 33.9 | Very low | 30.5 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 55% | 0.551 | 72% | 0.722 | S | S | * | * | 80.7 | 140 | 121.3 | -51.9 | -28 | 0 | 0 | 0 | 124.8 | T3145 | D3000-T3145 WeakPolarHBondContact OD1-CB 3.34Å; D3000-T3145 WeakPolarHBondContact OD1-CG2 3.28Å; D3000-T3145 PolarHBondContact OD1-OG1 3.02Å | |||
| 3001 | E | 30.5 | Very low | 30.8 | Very low | 80 Ų | 80 | 133.1 Ų | 133.1 | 37% | 0.374 | 73% | 0.728 | S | S | . | * | trans | 49.3 | 123.8 | 148.9 | -83.3 | -171.6 | -103 | 0 | 0 | 125.9 | G3143 | E3001-G3143 WeakPolarHBondContact OE1-CA 3.18Å; E3001-G3143 WeakPolarHBondContact OE2-CA 3.33Å | ||
| 3002 | R | 30.4 | Very low | 30.8 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 49% | 0.494 | 73% | 0.729 | S | S | . | * | trans | 30.3 | 115.8 | 131.2 | -61.9 | 177.7 | 177.5 | 146.7 | -12.3 | 118.3 | F3142 | R3002-F3142 PolarHBondContact NH1-O 2.77Å; R3002-F3142 PolarHBondContact NH2-O 3.2Å | ||
| 3003 | N | 30.1 | Very low | 30.8 | Very low | 158 Ų | 158 | 132.3 Ų | 132.3 | 85% | 0.845 | 74% | 0.74 | S | S | * | * | -168.9 | 173.7 | 89.9 | -101.6 | -40.8 | 0 | 0 | 0 | 114 | |||||
| 3004 | V | 28.8 | Very low | 31.1 | Very low | 140 Ų | 140 | 133.3 Ų | 133.3 | 85% | 0.848 | 74% | 0.744 | S | S | * | * | trans | -83 | 130.4 | 175.8 | 175 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 3005 | A | 28 | Very low | 31.2 | Very low | 79 Ų | 79 | 131.9 Ų | 131.9 | 65% | 0.653 | 74% | 0.741 | S | S | * | * | trans | 173 | 124.2 | 132.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 3006 | Q | 29.3 | Very low | 31.6 | Very low | 173 Ų | 173 | 131 Ų | 131 | 81% | 0.808 | 74% | 0.738 | S | S | * | * | trans | 63.6 | 151 | 133.5 | -66.2 | -178.7 | -21.6 | 0 | 0 | 123.9 | ||||
| 3007 | H | 32.5 | Very low | 31.8 | Very low | 153 Ų | 153 | 131.4 Ų | 131.4 | 71% | 0.708 | 73% | 0.733 | S | S | * | * | trans | 58 | 94.7 | 158.8 | -75.1 | -64.2 | 0 | 0 | 0 | 119.2 | ||||
| 3008 | T | 30.6 | Very low | 32.1 | Very low | 109 Ų | 109 | 135.5 Ų | 135.5 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | 75.5 | 119 | 81.3 | 57.2 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 3009 | D | 32.1 | Very low | 32.1 | Very low | 167 Ų | 167 | 131.3 Ų | 131.3 | 89% | 0.893 | 74% | 0.735 | S | S | * | * | -161.6 | 172.7 | 111.7 | -110.9 | -24.3 | 0 | 0 | 0 | 113.5 | |||||
| 3010 | Q | 33.1 | Very low | 32 | Very low | 179 Ų | 179 | 136.7 Ų | 136.7 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | trans | -118.9 | 139.8 | -168.9 | -58.6 | 178.6 | -6.4 | 0 | 0 | 114.6 | ||||
| 3011 | T | 32.6 | Very low | 32 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | trans | -160.5 | 124.5 | 139.3 | 44.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 3012 | A | 31.3 | Very low | 32.1 | Very low | 95 Ų | 95 | 136.7 Ų | 136.7 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | cis | 95.7 | 105 | 28.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 3013 | M | 30.6 | Very low | 32.3 | Very low | 194 Ų | 194 | 136.6 Ų | 136.6 | 96% | 0.956 | 75% | 0.754 | S | S | * | * | trans | -156.9 | 149.3 | 148.2 | -132.5 | 177.2 | -175.6 | 0 | 0 | 111.5 | ||||
| 3014 | Q | 34.3 | Very low | 32.3 | Very low | 180 Ų | 180 | 133.6 Ų | 133.6 | 84% | 0.841 | 74% | 0.735 | S | S | * | * | trans | -111.9 | 177.4 | -174.7 | -61.4 | 168.2 | -43.8 | 0 | 0 | 110.6 | ||||
| 3015 | V | 34.8 | Very low | 32.6 | Very low | 134 Ų | 134 | 131 Ų | 131 | 81% | 0.812 | 73% | 0.728 | S | S | * | * | -176.4 | 154.3 | 83.8 | 152.5 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 3016 | P | 37.6 | Very low | 32.9 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | trans | -139.6 | -170.7 | -153.1 | 39.4 | -17.8 | 0 | 0 | 0 | 118.5 | ||||
| 3017 | A | 33.8 | Very low | 33.4 | Very low | 87 Ų | 87 | 130.9 Ų | 130.9 | 72% | 0.719 | 73% | 0.733 | S | S | * | * | trans | 105.7 | 159.4 | 132 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 3018 | Q | 35.9 | Very low | 33.6 | Very low | 194 Ų | 194 | 131.2 Ų | 131.2 | 91% | 0.907 | 74% | 0.74 | S | S | * | * | trans | 110.2 | 136.2 | 155.6 | -59.5 | -178.1 | -1.4 | 0 | 0 | 119.4 | ||||
| 3019 | A | 31.4 | Very low | 33.6 | Very low | 79 Ų | 79 | 133.1 Ų | 133.1 | 65% | 0.653 | 75% | 0.745 | S | S | * | * | cis | -177.6 | 176.4 | -41.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 3020 | F | 31.1 | Very low | 33.9 | Very low | 183 Ų | 183 | 130 Ų | 130 | 80% | 0.803 | 74% | 0.735 | S | S | * | * | trans | 92.9 | 145.3 | 166 | -63 | -91.2 | 0 | 0 | 0 | 119.5 | ||||
| 3021 | I | 32.8 | Very low | 33.6 | Very low | 126 Ų | 126 | 132 Ų | 132 | 65% | 0.646 | 74% | 0.735 | S | S | * | * | cis | 121.6 | 137.7 | -4.2 | -73.2 | 166.7 | 0 | 0 | 0 | 113.7 | ||||
| 3022 | H | 33.7 | Very low | 33.4 | Very low | 58 Ų | 58 | 132 Ų | 132 | 27% | 0.269 | 73% | 0.728 | S | S | . | * | cis | -170.1 | -179.8 | -17 | -90.9 | -14.1 | 0 | 0 | 0 | 111.8 | ||||
| 3023 | Q | 33.8 | Very low | 33.4 | Very low | 129 Ų | 129 | 134.3 Ų | 134.3 | 60% | 0.603 | 72% | 0.722 | S | S | * | * | trans | 163.4 | 113 | 170.1 | -44 | -171.7 | 141.6 | 0 | 0 | 115.6 | ||||
| 3024 | Q | 31.3 | Very low | 33.4 | Very low | 95 Ų | 95 | 132.4 Ų | 132.4 | 44% | 0.444 | 71% | 0.711 | S | S | . | * | trans | -138.8 | 169.6 | -145.8 | -159.7 | 153.3 | 49.6 | 0 | 0 | 118.7 | ||||
| 3025 | A | 34.1 | Very low | 33.4 | Very low | 84 Ų | 84 | 131.1 Ų | 131.1 | 69% | 0.694 | 71% | 0.708 | S | S | * | * | trans | 96.2 | 154.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 3026 | T | 35.1 | Very low | 33.1 | Very low | 137 Ų | 137 | 129.4 Ų | 129.4 | 84% | 0.84 | 70% | 0.702 | S | S | * | * | cis | -166.1 | 161.8 | -12.1 | 17.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 3027 | P | 39.9 | Very low | 32.8 | Very low | 113 Ų | 113 | 127.4 Ų | 127.4 | 73% | 0.734 | 70% | 0.702 | S | S | * | * | trans | -111.5 | 170.8 | 178.5 | 41.7 | -33.8 | 0 | 0 | 0 | 116.3 | ||||
| 3028 | L | 34.9 | Very low | 32.8 | Very low | 161 Ų | 161 | 130.1 Ų | 130.1 | 84% | 0.843 | 71% | 0.705 | S | S | * | * | trans | 178.5 | 131 | 156.5 | -102.8 | 157.8 | 0 | 0 | 0 | 117.6 | ||||
| 3029 | D | 30.7 | Very low | 32.5 | Very low | 148 Ų | 148 | 128.6 Ų | 128.6 | 79% | 0.791 | 70% | 0.698 | S | S | * | * | trans | 53.7 | 170.3 | 139.5 | -96.9 | -3.1 | 0 | 0 | 0 | 125.9 | ||||
| 3030 | P | 39.6 | Very low | 32.4 | Very low | 102 Ų | 102 | 131.9 Ų | 131.9 | 66% | 0.662 | 70% | 0.703 | S | S | * | * | trans | -138.8 | -172.3 | -143.5 | 41.7 | -19.2 | 0 | 0 | 0 | 119.2 | ||||
| 3031 | R | 27.3 | Very low | 32.6 | Very low | 222 Ų | 222 | 128.3 Ų | 128.3 | 84% | 0.838 | 70% | 0.699 | S | S | * | * | trans | 82.9 | 142.5 | 164.5 | -60.6 | -179.4 | 177 | -167.9 | -0.4 | 119.9 | ||||
| 3032 | L | 26.8 | Very low | 32.4 | Very low | 137 Ų | 137 | 129.2 Ų | 129.2 | 72% | 0.717 | 71% | 0.71 | S | S | * | * | trans | 60.5 | 136.9 | 153 | -69.1 | 159.8 | 0 | 0 | 0 | 117.6 | ||||
| 3033 | H | 32.8 | Very low | 32.2 | Very low | 144 Ų | 144 | 130.5 Ų | 130.5 | 67% | 0.667 | 73% | 0.731 | S | S | * | * | cis | -158.1 | 151.5 | 34.5 | -89.3 | -89.8 | 0 | 0 | 0 | 112.8 | ||||
| 3034 | H | 29.1 | Very low | 31.7 | Very low | 155 Ų | 155 | 132.6 Ų | 132.6 | 72% | 0.718 | 74% | 0.742 | S | S | * | * | trans | 55 | 163.6 | 145.2 | -68 | -122.7 | 0 | 0 | 0 | 118.7 | ||||
| 3035 | I | 34.3 | Very low | 31.7 | Very low | 152 Ų | 152 | 135.9 Ų | 135.9 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | cis | -143.1 | 119.7 | 26.9 | -67.8 | 168.9 | 0 | 0 | 0 | 105.6 | ||||
| 3036 | S | 29.2 | Very low | 31.6 | Very low | 98 Ų | 98 | 137.4 Ų | 137.4 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | 80.4 | 114.4 | 58.2 | 78.7 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 3037 | G | 31.9 | Very low | 31.1 | Very low | 71 Ų | 71 | 135.6 Ų | 135.6 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | trans | 111.3 | 140.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 3038 | N | 33.2 | Very low | 30.9 | Very low | 145 Ų | 145 | 136 Ų | 136 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | cis | -154.5 | 148.4 | -2.6 | -104.3 | -14.4 | 0 | 0 | 0 | 112.7 | ||||
| 3039 | Q | 30.4 | Very low | 30.7 | Very low | 162 Ų | 162 | 136.6 Ų | 136.6 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | 20.4 | 147.5 | 128.4 | -53.4 | -175.7 | 1.9 | 0 | 0 | 120.4 | |||||
| 3040 | L | 28.2 | Very low | 30.5 | Very low | 148 Ų | 148 | 137.5 Ų | 137.5 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | cis | -162.6 | 165.3 | -4.1 | -136.8 | 85.7 | 0 | 0 | 0 | 108.4 | ||||
| 3041 | P | 34.9 | Very low | 30 | Very low | 108 Ų | 108 | 139.1 Ų | 139.1 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | -110.3 | 154.3 | -179.8 | 38.5 | -28.9 | 0 | 0 | 0 | 115.2 | ||||
| 3042 | T | 30.1 | Very low | 30 | Very low | 144 Ų | 144 | 135.8 Ų | 135.8 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | trans | -163.5 | 153.1 | 160.5 | 7.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 3043 | A | 28.8 | Very low | 30 | Very low | 85 Ų | 85 | 132.6 Ų | 132.6 | 70% | 0.702 | 76% | 0.756 | S | S | * | * | trans | 51.8 | 118.9 | 155.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 3044 | M | 24 | Very low | 29.7 | Very low | 173 Ų | 173 | 134.4 Ų | 134.4 | 85% | 0.852 | 77% | 0.765 | S | S | * | * | 61.6 | 103.3 | 66.9 | -71.2 | -165.4 | 174.9 | 0 | 0 | 115.8 | |||||
| 3045 | H | 30.9 | Very low | 29.8 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | 174.6 | 141.1 | 112.9 | -100.4 | 19.7 | 0 | 0 | 0 | 115.8 | |||||
| 3046 | T | 31.1 | Very low | 29.5 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 72% | 0.718 | 77% | 0.769 | S | S | * | * | trans | 48.4 | 112.5 | 145.3 | 62.4 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 3047 | A | 25.8 | Very low | 29.4 | Very low | 99 Ų | 99 | 136 Ų | 136 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | 78.3 | 152.6 | 120.6 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 3048 | P | 34.2 | Very low | 29.4 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | trans | -103.4 | 150.7 | -161 | 38.9 | -34 | 0 | 0 | 0 | 115.1 | ||||
| 3049 | I | 30.5 | Very low | 29.1 | Very low | 173 Ų | 173 | 139 Ų | 139 | 89% | 0.887 | 77% | 0.766 | S | S | * | * | trans | -135.2 | 137.9 | 167.5 | -69.2 | -175.5 | 0 | 0 | 0 | 110.7 | ||||
| 3050 | H | 26.7 | Very low | 28.8 | Very low | 167 Ų | 167 | 140.7 Ų | 140.7 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | -72.1 | 165.7 | 176.2 | -124 | -105 | 0 | 0 | 0 | 112.6 | ||||
| 3051 | N | 29.7 | Very low | 28.7 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | 101.7 | 146.3 | 165.6 | -58 | -29.7 | 0 | 0 | 0 | 116.7 | ||||
| 3052 | L | 26.8 | Very low | 28.3 | Very low | 152 Ų | 152 | 144.6 Ų | 144.6 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | cis | -164.3 | 171.3 | -21.5 | -118.1 | 170.9 | 0 | 0 | 0 | 109.7 | ||||
| 3053 | A | 27.4 | Very low | 28.2 | Very low | 70 Ų | 70 | 145 Ų | 145 | 58% | 0.579 | 77% | 0.766 | S | S | * | * | trans | 72.7 | 122.2 | 148.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 3054 | Q | 26.8 | Very low | 28 | Very low | 183 Ų | 183 | 146.8 Ų | 146.8 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | 69.2 | 95 | 134.7 | -63.6 | 171.6 | 4.5 | 0 | 0 | 119.6 | ||||
| 3055 | L | 30 | Very low | 28.2 | Very low | 184 Ų | 184 | 143.1 Ų | 143.1 | 96% | 0.963 | 76% | 0.755 | S | S | * | * | -143.2 | 130.2 | 112.3 | -109.9 | 168.8 | 0 | 0 | 0 | 109.3 | |||||
| 3056 | S | 28.4 | Very low | 28.1 | Very low | 88 Ų | 88 | 138.8 Ų | 138.8 | 62% | 0.615 | 74% | 0.735 | S | S | * | * | trans | -130.4 | 146.7 | -169.1 | 61 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 3057 | H | 28.6 | Very low | 27.9 | Very low | 166 Ų | 166 | 140.8 Ų | 140.8 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | trans | 66 | 108.8 | 172.4 | -64.2 | -72.9 | 0 | 0 | 0 | 117.7 | ||||
| 3058 | I | 31 | Very low | 28 | Very low | 144 Ų | 144 | 144.6 Ų | 144.6 | 74% | 0.738 | 73% | 0.727 | S | S | * | * | -143.1 | 141.3 | 115.6 | -102.4 | 155 | 0 | 0 | 0 | 108 | |||||
| 3059 | Q | 26.8 | Very low | 27.8 | Very low | 136 Ų | 136 | 147.1 Ų | 147.1 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | trans | -93.8 | 158.2 | 175.7 | -47.9 | 175.4 | -44.9 | 0 | 0 | 108.7 | ||||
| 3060 | R | 25.2 | Very low | 27.7 | Very low | 197 Ų | 197 | 147.2 Ų | 147.2 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | -178 | 153.8 | 63.6 | -120.2 | 159.3 | -148.4 | -173.5 | 6.1 | 111.2 | |||||
| 3061 | Q | 24.8 | Very low | 27.9 | Very low | 173 Ų | 173 | 142.9 Ų | 142.9 | 81% | 0.808 | 71% | 0.707 | S | S | * | * | trans | 61.3 | 96 | 156.6 | -59.8 | -178 | 26 | 0 | 0 | 119.1 | ||||
| 3062 | L | 27.3 | Very low | 27.9 | Very low | 164 Ų | 164 | 142 Ų | 142 | 86% | 0.859 | 71% | 0.709 | S | S | * | * | -162.3 | 159.6 | 101 | -97.1 | 161.7 | 0 | 0 | 0 | 109 | |||||
| 3063 | Q | 26.6 | Very low | 28.1 | Very low | 152 Ų | 152 | 143.7 Ų | 143.7 | 71% | 0.71 | 71% | 0.713 | S | S | * | * | trans | -112.8 | 137.4 | -167.2 | -73.4 | -172.5 | -24.3 | 0 | 0 | 113.8 | N3065 | Q3063-N3065 VanDerWaalsContact CB-ND2 3.29Å; Q3063-N3065 WeakPolarHBondContact CB-ND2 3.45Å; Q3063-N3065 PolarHBondContact O-N 3.14Å; Q3063-N3065 PolarHBondContact OE1-ND2 3.45Å | ||
| 3064 | P | 24.7 | Very low | 28.2 | Very low | 123 Ų | 123 | 148.5 Ų | 148.5 | 80% | 0.799 | 73% | 0.729 | S | S | * | * | trans | -69.3 | 117.6 | 163.2 | 30.2 | -32.2 | 0 | 0 | 0 | 109.1 | ||||
| 3065 | N | 28.6 | Very low | 28.3 | Very low | 97 Ų | 97 | 143.3 Ų | 143.3 | 52% | 0.519 | 73% | 0.725 | S | S | . | * | trans | -138.2 | 98 | -173.1 | -99.4 | -56.1 | 0 | 0 | 0 | 113.3 | Q3063 | Q3063-N3065 VanDerWaalsContact CB-ND2 3.29Å; Q3063-N3065 WeakPolarHBondContact CB-ND2 3.45Å; Q3063-N3065 PolarHBondContact O-N 3.14Å; Q3063-N3065 PolarHBondContact OE1-ND2 3.45Å | ||
| 3066 | H | 30.2 | Very low | 28.4 | Very low | 73 Ų | 73 | 142.3 Ų | 142.3 | 34% | 0.338 | 72% | 0.72 | S | S | . | * | trans | 61.4 | 99.5 | 137.1 | -67.7 | 110.1 | 0 | 0 | 0 | 119.1 | Y2290 R2318 R3068 | Y2290-H3066 AromaticContact CD1-CE1 3.8Å; Y2290-H3066 AromaticContact CE1-CE1 3.55Å; Y2290-H3066 AromaticContact CE1-NE2 3.71Å; R2318-H3066 PolarHBondContact NH1-NE2 3.48Å; R2318-H3066 PolarHBondContact NH2-CD2 2.93Å; R2318-H3066 PolarHBondContact NH2-NE2 3.49Å; H3066-R3068 PolarHBondContact O-N 3.1Å | ||
| 3067 | F | 26.6 | Very low | 28.4 | Very low | 158 Ų | 158 | 144.2 Ų | 144.2 | 69% | 0.693 | 73% | 0.728 | S | S | * | * | trans | -53 | 122 | 149.5 | -85.4 | -92.5 | 0 | 0 | 0 | 110.2 | ||||
| 3068 | R | 27.7 | Very low | 28.5 | Very low | 179 Ų | 179 | 141.3 Ų | 141.3 | 68% | 0.675 | 73% | 0.732 | S | S | * | * | trans | -128 | 119.9 | 167.3 | -85.9 | -168.7 | 173.1 | -156.7 | -1.1 | 109.2 | H3066 F3070 | H3066-R3068 PolarHBondContact O-N 3.1Å; R3068-F3070 HydrophobicContact CB-CD2 4.06Å; R3068-F3070 HydrophobicContact CB-CE2 4.06Å; R3068-F3070 PolarHBondContact O-N 2.67Å | ||
| 3069 | H | 29.2 | Very low | 28.6 | Very low | 175 Ų | 175 | 139.1 Ų | 139.1 | 81% | 0.81 | 74% | 0.736 | S | S | * | * | trans | -60.5 | 116.5 | 160 | -76.3 | 83 | 0 | 0 | 0 | 108.5 | V3071 | H3069-V3071 PolarHBondContact O-N 2.93Š| ||
| 3070 | F | 29.2 | Very low | 28.7 | Very low | 176 Ų | 176 | 141 Ų | 141 | 77% | 0.772 | 75% | 0.75 | S | S | * | * | trans | -97 | 81.8 | -171.7 | -108.3 | -78.7 | 0 | 0 | 0 | 111.7 | R3068 | R3068-F3070 HydrophobicContact CB-CD2 4.06Å; R3068-F3070 HydrophobicContact CB-CE2 4.06Å; R3068-F3070 PolarHBondContact O-N 2.67Å | ||
| 3071 | V | 30.8 | Very low | 29 | Very low | 75 Ų | 75 | 135.3 Ų | 135.3 | 46% | 0.455 | 75% | 0.753 | S | S | . | * | trans | -67.2 | 130.6 | 164.5 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | H3069 Q3073 | H3069-V3071 PolarHBondContact O-N 2.93Å; V3071-Q3073 PolarHBondContact O-N 3.17Å; V3071-Q3073 VanDerWaalsContact O-N 3.15Å | ||
| 3072 | P | 30 | Very low | 29.2 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | trans | -74.3 | 102.8 | 175.3 | 29.2 | -33 | 0 | 0 | 0 | 111 | D3074 | P3072-D3074 PolarHBondContact O-N 3.33Š| ||
| 3073 | Q | 29.8 | Very low | 29.5 | Very low | 186 Ų | 186 | 133.8 Ų | 133.8 | 87% | 0.869 | 75% | 0.751 | S | S | * | * | trans | -83.2 | 98.7 | 170.6 | -76.8 | -169.8 | -15.9 | 0 | 0 | 111.8 | V3071 | V3071-Q3073 PolarHBondContact O-N 3.17Å; V3071-Q3073 VanDerWaalsContact O-N 3.15Å | ||
| 3074 | D | 29.7 | Very low | 29.6 | Very low | 171 Ų | 171 | 134.9 Ų | 134.9 | 91% | 0.914 | 76% | 0.761 | S | S | * | * | trans | -121.1 | 118.1 | 155.1 | -88.2 | -50.8 | 0 | 0 | 0 | 109.1 | P3072 | P3072-D3074 PolarHBondContact O-N 3.33Š| ||
| 3075 | G | 29.8 | Very low | 29.8 | Very low | 75 Ų | 75 | 138.7 Ų | 138.7 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | 176.8 | 88.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 3076 | L | 31.2 | Very low | 29.9 | Very low | 163 Ų | 163 | 137.7 Ų | 137.7 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | -93.4 | 101.2 | -176.6 | -81.3 | 165.9 | 0 | 0 | 0 | 113.1 | ||||
| 3077 | T | 28.1 | Very low | 29.7 | Very low | 128 Ų | 128 | 145.1 Ų | 145.1 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | 33.4 | 105.5 | 139 | 56.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 3078 | A | 31.9 | Very low | 29.9 | Very low | 104 Ų | 104 | 144.5 Ų | 144.5 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -166.4 | 141.2 | 143.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 3079 | A | 32.5 | Very low | 29.9 | Very low | 99 Ų | 99 | 141.8 Ų | 141.8 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | cis | -152.2 | 174.1 | -9.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 3080 | N | 29.7 | Very low | 29.9 | Very low | 175 Ų | 175 | 140 Ų | 140 | 94% | 0.936 | 81% | 0.809 | S | S | * | * | trans | -79.7 | 152.7 | -176.9 | -66.5 | -25.5 | 0 | 0 | 0 | 113.9 | ||||
| 3081 | G | 30.1 | Very low | 30.2 | Very low | 78 Ų | 78 | 137.7 Ų | 137.7 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -179.9 | 99 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 3082 | Q | 29.5 | Very low | 30 | Very low | 197 Ų | 197 | 137.7 Ų | 137.7 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | trans | -96.5 | 162.8 | 176.1 | -102.6 | -163.1 | -34.8 | 0 | 0 | 112.5 | ||||
| 3083 | P | 33.8 | Very low | 29.9 | Very low | 108 Ų | 108 | 141.8 Ų | 141.8 | 70% | 0.701 | 84% | 0.836 | S | S | * | * | trans | -95.8 | 170 | -154.1 | 37.9 | -38.9 | 0 | 0 | 0 | 115.1 | ||||
| 3084 | L | 29.2 | Very low | 29.8 | Very low | 175 Ų | 175 | 136 Ų | 136 | 92% | 0.916 | 83% | 0.827 | S | S | * | * | trans | -127.2 | 140.3 | 156.5 | -75.6 | 174.9 | 0 | 0 | 0 | 110.2 | ||||
| 3085 | Q | 28.9 | Very low | 29.8 | Very low | 203 Ų | 203 | 136.9 Ų | 136.9 | 95% | 0.949 | 82% | 0.817 | S | S | * | * | trans | -84.3 | 147.4 | 173.7 | -66.9 | 174.5 | -19.7 | 0 | 0 | 110.7 | ||||
| 3086 | G | 29.4 | Very low | 29.6 | Very low | 75 Ų | 75 | 140 Ų | 140 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | -159.1 | 120.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 3087 | R | 26.8 | Very low | 29.5 | Very low | 230 Ų | 230 | 137.7 Ų | 137.7 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | trans | -79.2 | 137.1 | 173.2 | -74.4 | 173.9 | 167.4 | 151.9 | -6.2 | 109.5 | ||||
| 3088 | D | 31.7 | Very low | 29.5 | Very low | 144 Ų | 144 | 138.3 Ų | 138.3 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | -172.9 | 128.1 | 113.7 | -88.3 | -30.9 | 0 | 0 | 0 | 108.1 | |||||
| 3089 | N | 26.2 | Very low | 29.2 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 65% | 0.652 | 79% | 0.793 | S | S | * | * | 93.7 | 130.8 | 50.3 | -91.8 | -37.9 | 0 | 0 | 0 | 114 | |||||
| 3090 | V | 29.1 | Very low | 29 | Very low | 139 Ų | 139 | 137.3 Ų | 137.3 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | trans | 76.6 | 140.5 | 161.3 | 176.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 3091 | P | 35.1 | Very low | 28.9 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -120.3 | 173.4 | -152 | 42 | -28.5 | 0 | 0 | 0 | 115.3 | ||||
| 3092 | G | 28.1 | Very low | 28.9 | Very low | 76 Ų | 76 | 135.5 Ų | 135.5 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | trans | -155.7 | 126.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 3093 | Q | 28.1 | Very low | 29.3 | Very low | 203 Ų | 203 | 134.9 Ų | 134.9 | 95% | 0.949 | 78% | 0.78 | S | S | * | * | trans | -81.1 | 146 | 175.4 | -68 | 176.5 | -23.8 | 0 | 0 | 111.1 | ||||
| 3094 | G | 27.8 | Very low | 29.3 | Very low | 65 Ų | 65 | 135.8 Ų | 135.8 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | trans | -158.2 | 94.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y2012 | Y2012-G3094 WeakPolarHBondContact OH-CA 3.46Š| ||
| 3095 | R | 28.4 | Very low | 29.4 | Very low | 189 Ų | 189 | 131.8 Ų | 131.8 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | -103.2 | 137.3 | -171.4 | 174 | -176.6 | 178.3 | 172.5 | -0.5 | 111.1 | Q3097 | R3095-Q3097 VanDerWaalsContact CZ-OE1 3.23Š| ||
| 3096 | M | 26 | Very low | 29.4 | Very low | 140 Ų | 140 | 129.7 Ų | 129.7 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | trans | -147.9 | 147 | 150.5 | -143 | 174 | -177.6 | 0 | 0 | 110.9 | Q2010 | Q2010-M3096 WeakPolarHBondContact O-CE 3.46Š| ||
| 3097 | Q | 28.8 | Very low | 29.5 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 54% | 0.537 | 77% | 0.773 | S | S | . | * | trans | -126.8 | 145.5 | -175.1 | -66 | 169.7 | -104.7 | 0 | 0 | 111.1 | R3095 V3099 | R3095-Q3097 VanDerWaalsContact CZ-OE1 3.23Å; Q3097-V3099 HydrophobicContact CB-CG2 4.05Å | ||
| 3098 | V | 27.8 | Very low | 29.7 | Very low | 142 Ų | 142 | 126.4 Ų | 126.4 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | trans | -145.4 | 102.7 | 152.1 | 179.7 | 0 | 0 | 0 | 0 | 103.4 | ||||
| 3099 | V | 26.6 | Very low | 29.6 | Very low | 114 Ų | 114 | 126.7 Ų | 126.7 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | 67.6 | 116.9 | 52.2 | -171.2 | 0 | 0 | 0 | 0 | 111.8 | Q3097 | Q3097-V3099 HydrophobicContact CB-CG2 4.05Š| |||
| 3100 | G | 28.5 | Very low | 29.8 | Very low | 67 Ų | 67 | 126.4 Ų | 126.4 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | trans | 141.5 | 41.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 3101 | S | 27.4 | Very low | 29.9 | Very low | 111 Ų | 111 | 126 Ų | 126 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | 65.4 | 100.4 | 74.7 | 74.4 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 3102 | A | 31.1 | Very low | 29.6 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -151.3 | 45.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 3103 | Q | 36 | Very low | 29.6 | Very low | 185 Ų | 185 | 130.6 Ų | 130.6 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | trans | -84 | 163.7 | 138.4 | -75.9 | 178.3 | -60.3 | 0 | 0 | 106.6 | ||||
| 3104 | P | 34.6 | Very low | 29.6 | Very low | 127 Ų | 127 | 126.3 Ų | 126.3 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | cis | -111.9 | -159.6 | 23.8 | 37.5 | -18.6 | 0 | 0 | 0 | 111.2 | ||||
| 3105 | A | 30.8 | Very low | 29.5 | Very low | 91 Ų | 91 | 132.2 Ų | 132.2 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | cis | -153 | 178.8 | 13.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 3106 | N | 28.4 | Very low | 29.4 | Very low | 159 Ų | 159 | 129 Ų | 129 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | trans | -84.7 | 149.1 | 169.5 | -58.4 | -22 | 0 | 0 | 0 | 111.5 | ||||
| 3107 | A | 33 | Very low | 29.4 | Very low | 94 Ų | 94 | 131.6 Ų | 131.6 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | trans | -169.8 | 149 | 141.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 3108 | D | 29.5 | Very low | 29.4 | Very low | 142 Ų | 142 | 134.7 Ų | 134.7 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | cis | -166.8 | 174.6 | -37.2 | -135.6 | -41.7 | 0 | 0 | 0 | 106.6 | ||||
| 3109 | L | 30.4 | Very low | 29.6 | Very low | 150 Ų | 150 | 132.6 Ų | 132.6 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | 67.9 | 112.7 | 174.3 | -56.6 | 162.8 | 0 | 0 | 0 | 115.5 | ||||
| 3110 | V | 30.3 | Very low | 29.6 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 70% | 0.703 | 75% | 0.753 | S | S | * | * | 70.8 | 98.6 | 58.4 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 3111 | D | 30.8 | Very low | 29.5 | Very low | 129 Ų | 129 | 135.3 Ų | 135.3 | 69% | 0.69 | 75% | 0.753 | S | S | * | * | 85.3 | 121.4 | 57.5 | -178.7 | 42.3 | 0 | 0 | 0 | 114.2 | |||||
| 3112 | K | 29.8 | Very low | 29.5 | Very low | 176 Ų | 176 | 135.1 Ų | 135.1 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | trans | 159.2 | 114.7 | 163 | -92.2 | 154.5 | -171.8 | 176.3 | 0 | 108.9 | ||||
| 3113 | N | 28.4 | Very low | 29.1 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 66% | 0.663 | 74% | 0.741 | S | S | * | * | 82.8 | 110.8 | 77.6 | -75.3 | -17.8 | 0 | 0 | 0 | 112.2 | |||||
| 3114 | V | 26.8 | Very low | 28.7 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | 92.3 | 153.1 | 69.5 | 161.8 | 0 | 0 | 0 | 0 | 111 | |||||
| 3115 | F | 26.5 | Very low | 28.4 | Very low | 188 Ų | 188 | 140 Ų | 140 | 83% | 0.825 | 73% | 0.732 | S | S | * | * | trans | 76.4 | 119.7 | -158.9 | -58.5 | -82.1 | 0 | 0 | 0 | 112.2 | ||||
| 3116 | V | 25.6 | Very low | 28.2 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 75% | 0.745 | 73% | 0.726 | S | S | * | * | cis | 71.8 | 88.9 | 32.7 | -168.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 3117 | Q | 26.7 | Very low | 28.2 | Very low | 193 Ų | 193 | 139.2 Ų | 139.2 | 90% | 0.902 | 73% | 0.725 | S | S | * | * | -167 | 156.6 | 122.4 | -107.5 | 165.8 | -1.3 | 0 | 0 | 114 | |||||
| 3118 | Q | 27.9 | Very low | 28 | Very low | 180 Ų | 180 | 140.1 Ų | 140.1 | 84% | 0.841 | 72% | 0.721 | S | S | * | * | trans | -75.9 | -179.7 | 164.8 | -103.8 | 173.6 | -9.8 | 0 | 0 | 110.5 | ||||
| 3119 | P | 33.4 | Very low | 28.2 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 64% | 0.643 | 72% | 0.723 | S | S | * | * | cis | -139.9 | -166.7 | -16.4 | 32.6 | -10 | 0 | 0 | 0 | 114.1 | ||||
| 3120 | Q | 25.5 | Very low | 28.1 | Very low | 90 Ų | 90 | 136 Ų | 136 | 42% | 0.421 | 72% | 0.722 | S | S | . | * | trans | 80.4 | 158.4 | 136.9 | -82.8 | -101.7 | -60.5 | 0 | 0 | 121.8 | N2744 | N2744-Q3120 VanDerWaalsContact CB-OE1 3.29Å; N2744-Q3120 VanDerWaalsContact CG-CD 3.4Å; N2744-Q3120 VanDerWaalsContact CG-OE1 3.28Å | ||
| 3121 | Q | 26.3 | Very low | 28.3 | Very low | 148 Ų | 148 | 135.6 Ų | 135.6 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | trans | -73.7 | 149.7 | -169.4 | -58.6 | 151.3 | -70 | 0 | 0 | 113.6 | ||||
| 3122 | T | 27.5 | Very low | 28.1 | Very low | 106 Ų | 106 | 137.3 Ų | 137.3 | 65% | 0.65 | 73% | 0.725 | S | S | * | * | trans | -148.4 | 139.6 | 138.3 | 19.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 3123 | Q | 23.8 | Very low | 27.9 | Very low | 154 Ų | 154 | 135.1 Ų | 135.1 | 72% | 0.72 | 72% | 0.721 | S | S | * | * | trans | -87.4 | 145.5 | 177.3 | -61.5 | 159.9 | -81.1 | 0 | 0 | 111.2 | Q3125 | Q3123-Q3125 HydrophobicContact CB-CG 4.25Š| ||
| 3124 | W | 26.9 | Very low | 27.8 | Very low | 235 Ų | 235 | 137.5 Ų | 137.5 | 89% | 0.89 | 73% | 0.728 | S | S | * | * | trans | -144.7 | 90.8 | 145 | -74.1 | 100.9 | 0 | 0 | 0 | 105.4 | ||||
| 3125 | Q | 27.4 | Very low | 27.9 | Very low | 130 Ų | 130 | 140.2 Ų | 140.2 | 61% | 0.607 | 74% | 0.737 | S | S | * | * | 62.3 | 90.7 | 74.8 | -68.8 | -162 | -23.1 | 0 | 0 | 114.7 | Q3123 | Q3123-Q3125 HydrophobicContact CB-CG 4.25Š| |||
| 3126 | V | 26.9 | Very low | 28 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 62% | 0.624 | 73% | 0.727 | S | S | * | * | 40.6 | 144.3 | 126.1 | -67.2 | 0 | 0 | 0 | 0 | 120.6 | V3128 | V3126-V3128 HydrophobicContact CB-CB 4.08Å; V3126-V3128 HydrophobicContact CB-CG2 3.74Å; V3126-V3128 HydrophobicContact CG1-CB 4.46Å; V3126-V3128 HydrophobicContact CG1-CG2 3.67Å; V3126-V3128 HydrophobicContact CG2-CG2 4.1Å | |||
| 3127 | P | 29.3 | Very low | 28.3 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 84% | 0.844 | 73% | 0.733 | S | S | * | * | -91.8 | 149.7 | 67 | -16.4 | 32.3 | 0 | 0 | 0 | 112.9 | |||||
| 3128 | V | 28.6 | Very low | 28.4 | Very low | 113 Ų | 113 | 136 Ų | 136 | 69% | 0.685 | 73% | 0.73 | S | S | * | * | cis | 62.1 | 86.2 | 19.1 | 175.3 | 0 | 0 | 0 | 0 | 114.6 | V3126 | V3126-V3128 HydrophobicContact CB-CB 4.08Å; V3126-V3128 HydrophobicContact CB-CG2 3.74Å; V3126-V3128 HydrophobicContact CG1-CB 4.46Å; V3126-V3128 HydrophobicContact CG1-CG2 3.67Å; V3126-V3128 HydrophobicContact CG2-CG2 4.1Å | ||
| 3129 | S | 32.3 | Very low | 28.9 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 80% | 0.797 | 72% | 0.72 | S | S | * | * | 171.8 | 147.3 | 111.8 | 58.3 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 3130 | A | 29.2 | Very low | 28.8 | Very low | 92 Ų | 92 | 135.5 Ų | 135.5 | 76% | 0.76 | 73% | 0.727 | S | S | * | * | cis | 174.7 | 167.9 | -10.9 | 0 | 0 | 0 | 0 | 0 | 103.2 | ||||
| 3131 | P | 34.8 | Very low | 29.1 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | trans | -98.7 | -173.3 | -168 | 40.8 | -36.9 | 0 | 0 | 0 | 113.8 | ||||
| 3132 | E | 25.6 | Very low | 29.4 | Very low | 164 Ų | 164 | 136 Ų | 136 | 77% | 0.766 | 73% | 0.734 | S | S | * | * | trans | 89.8 | 142.3 | 143.7 | -87.4 | -178.9 | 138.1 | 0 | 0 | 122.8 | ||||
| 3133 | I | 27 | Very low | 29.6 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 67% | 0.672 | 73% | 0.727 | S | S | * | * | trans | 68.3 | 106.2 | 148.2 | -64.3 | 162.6 | 0 | 0 | 0 | 118.7 | ||||
| 3134 | Q | 24.9 | Very low | 30.2 | Very low | 174 Ų | 174 | 129.6 Ų | 129.6 | 81% | 0.813 | 72% | 0.716 | S | S | * | * | trans | 23.7 | 130.3 | 131.1 | -50.6 | 174.5 | -3.4 | 0 | 0 | 119.2 | ||||
| 3135 | I | 30.5 | Very low | 30.5 | Very low | 170 Ų | 170 | 123.3 Ų | 123.3 | 87% | 0.872 | 70% | 0.704 | S | S | * | * | -157.9 | 153.6 | 111.9 | -100.7 | 152.5 | 0 | 0 | 0 | 108.5 | |||||
| 3136 | A | 27 | Very low | 30.7 | Very low | 76 Ų | 76 | 126 Ų | 126 | 63% | 0.628 | 71% | 0.714 | S | S | * | * | trans | -73.5 | 156.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 3137 | N | 32.3 | Very low | 30.9 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 87% | 0.872 | 73% | 0.728 | S | S | * | * | -166.8 | 137.3 | 113.2 | -90.2 | -29.1 | 0 | 0 | 0 | 112.5 | |||||
| 3138 | E | 30.1 | Very low | 31 | Very low | 177 Ų | 177 | 127.3 Ų | 127.3 | 83% | 0.827 | 72% | 0.723 | S | S | * | * | trans | -77 | -175 | 163.8 | -61.4 | -172.4 | 118.1 | 0 | 0 | 110.8 | ||||
| 3139 | P | 37.1 | Very low | 31.1 | Very low | 99 Ų | 99 | 125.2 Ų | 125.2 | 64% | 0.643 | 73% | 0.725 | S | S | * | * | -128.1 | -165.8 | -60.7 | 36.4 | -20.5 | 0 | 0 | 0 | 110 | |||||
| 3140 | Q | 32 | Very low | 31 | Very low | 168 Ų | 168 | 127 Ų | 127 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | 167 | 142.3 | 123.4 | -89.6 | 174.8 | 32.4 | 0 | 0 | 113.5 | |||||
| 3141 | T | 31.2 | Very low | 31 | Very low | 90 Ų | 90 | 131.2 Ų | 131.2 | 55% | 0.552 | 73% | 0.728 | S | S | * | * | trans | 30.3 | 136.2 | 146.7 | 63.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 3142 | F | 32.2 | Very low | 30.6 | Very low | 160 Ų | 160 | 129.3 Ų | 129.3 | 70% | 0.702 | 73% | 0.728 | S | S | * | * | cis | -123.5 | -134.2 | 19 | -73 | -90.6 | 0 | 0 | 0 | 110.9 | R3002 | R3002-F3142 PolarHBondContact NH1-O 2.77Å; R3002-F3142 PolarHBondContact NH2-O 3.2Å | ||
| 3143 | G | 31.8 | Very low | 30.8 | Very low | 50 Ų | 50 | 129.7 Ų | 129.7 | 52% | 0.515 | 73% | 0.733 | S | S | . | * | cis | -161.7 | 131 | -48.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E3001 | E3001-G3143 WeakPolarHBondContact OE1-CA 3.18Å; E3001-G3143 WeakPolarHBondContact OE2-CA 3.33Å | ||
| 3144 | P | 37.7 | Very low | 31.2 | Very low | 75 Ų | 75 | 128.3 Ų | 128.3 | 49% | 0.487 | 73% | 0.733 | S | S | . | * | trans | -135.5 | 156.6 | 178.1 | 35.4 | -16.7 | 0 | 0 | 0 | 117.3 | ||||
| 3145 | T | 32.8 | Very low | 31.3 | Very low | 102 Ų | 102 | 128.5 Ų | 128.5 | 63% | 0.626 | 73% | 0.731 | S | S | * | * | trans | -128.5 | 152.3 | 173.1 | -23.9 | 0 | 0 | 0 | 0 | 112.4 | D3000 | D3000-T3145 WeakPolarHBondContact OD1-CB 3.34Å; D3000-T3145 WeakPolarHBondContact OD1-CG2 3.28Å; D3000-T3145 PolarHBondContact OD1-OG1 3.02Å | ||
| 3146 | K | 31 | Very low | 31.2 | Very low | 188 Ų | 188 | 127.2 Ų | 127.2 | 82% | 0.817 | 73% | 0.726 | S | S | * | * | trans | -102.2 | 154.1 | -178.3 | -52.7 | 166.9 | -177.7 | 168.6 | 0 | 112.1 | ||||
| 3147 | V | 31.9 | Very low | 31.5 | Very low | 151 Ų | 151 | 129.7 Ų | 129.7 | 92% | 0.915 | 74% | 0.739 | S | S | * | * | trans | -140.6 | 142.8 | 130 | -176.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 3148 | S | 30.4 | Very low | 31.4 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | trans | -150.5 | 134 | 179.9 | 57.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 3149 | G | 31.3 | Very low | 31.8 | Very low | 69 Ų | 69 | 127.2 Ų | 127.2 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | trans | 119.3 | 160.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 3150 | I | 30.2 | Very low | 31.3 | Very low | 151 Ų | 151 | 131.8 Ų | 131.8 | 77% | 0.774 | 74% | 0.741 | S | S | * | * | cis | -155.8 | 150.5 | -5.3 | -117.9 | 160.6 | 0 | 0 | 0 | 108.9 | ||||
| 3151 | E | 28.7 | Very low | 31.2 | Very low | 182 Ų | 182 | 130 Ų | 130 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | trans | 35.6 | 132.3 | 159.5 | -61.3 | 172.4 | 170.6 | 0 | 0 | 122.8 | ||||
| 3152 | G | 27.6 | Very low | 31 | Very low | 68 Ų | 68 | 128.9 Ų | 128.9 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | 128.4 | 123.2 | 110.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 3153 | I | 30.2 | Very low | 30.8 | Very low | 172 Ų | 172 | 128.5 Ų | 128.5 | 88% | 0.882 | 75% | 0.752 | S | S | * | * | trans | 79.8 | 142.5 | 144.2 | -58 | 175.1 | 0 | 0 | 0 | 117.8 | ||||
| 3154 | P | 34.5 | Very low | 30.6 | Very low | 102 Ų | 102 | 133 Ų | 133 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | trans | -132.2 | -171.2 | -155.1 | 34.5 | -11.2 | 0 | 0 | 0 | 117.1 | ||||
| 3155 | F | 27.6 | Very low | 30.2 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | 101.6 | 131.9 | 163.3 | -75.5 | -80.5 | 0 | 0 | 0 | 121 | ||||
| 3156 | N | 27.8 | Very low | 30.1 | Very low | 142 Ų | 142 | 144.6 Ų | 144.6 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | trans | 60.5 | 107.8 | 148.7 | -62.6 | -16.6 | 0 | 0 | 0 | 121.7 | ||||
| 3157 | S | 33.3 | Very low | 30.1 | Very low | 128 Ų | 128 | 141.3 Ų | 141.3 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | -168.4 | 153.9 | 112.7 | 20.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 3158 | E | 29.9 | Very low | 30.2 | Very low | 185 Ų | 185 | 139.9 Ų | 139.9 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -91.6 | 176.9 | 173.6 | -76 | -171.8 | 150.5 | 0 | 0 | 111.4 | ||||
| 3159 | P | 38.4 | Very low | 30.4 | Very low | 103 Ų | 103 | 140 Ų | 140 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | cis | -138.2 | -173.6 | -40 | 37.6 | -20.4 | 0 | 0 | 0 | 113.6 | ||||
| 3160 | F | 26.5 | Very low | 30.4 | Very low | 195 Ų | 195 | 144.5 Ų | 144.5 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | trans | 75.5 | 142.6 | 153.4 | -99.1 | -78.5 | 0 | 0 | 0 | 121.2 | ||||
| 3161 | V | 30.5 | Very low | 30.5 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | trans | 62.4 | 91.6 | 165.8 | -167.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 3162 | G | 26.8 | Very low | 30.8 | Very low | 67 Ų | 67 | 140 Ų | 140 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | trans | 26.3 | 161.1 | 135.5 | 0 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 3163 | L | 28.2 | Very low | 31 | Very low | 153 Ų | 153 | 144 Ų | 144 | 80% | 0.801 | 76% | 0.763 | S | S | * | * | -178.6 | 161.1 | 128.2 | -98.1 | 173.3 | 0 | 0 | 0 | 113.2 | |||||
| 3164 | H | 28.1 | Very low | 31.2 | Very low | 145 Ų | 145 | 142.7 Ų | 142.7 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | trans | 43.4 | 119 | 157.2 | -67 | -57.2 | 0 | 0 | 0 | 122.5 | ||||
| 3165 | Y | 29.3 | Very low | 31.2 | Very low | 233 Ų | 233 | 142.3 Ų | 142.3 | 91% | 0.914 | 75% | 0.745 | S | S | * | * | -104.2 | 165.7 | 118.8 | -101.5 | -99.9 | 0 | 0 | 0 | 110.2 | |||||
| 3166 | K | 30.3 | Very low | 31.5 | Very low | 186 Ų | 186 | 138 Ų | 138 | 81% | 0.809 | 74% | 0.737 | S | S | * | * | trans | -100.6 | 145.1 | -159.1 | -57.2 | 172.2 | -177.9 | 173.9 | 0 | 114.1 | ||||
| 3167 | P | 30 | Very low | 31.8 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 78% | 0.779 | 73% | 0.731 | S | S | * | * | trans | -94.7 | 137.4 | 158.6 | 35.3 | -29.6 | 0 | 0 | 0 | 112.2 | ||||
| 3168 | V | 34.3 | Very low | 31.9 | Very low | 120 Ų | 120 | 141 Ų | 141 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | trans | -158.8 | 128.1 | 175.9 | 172.2 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 3169 | N | 34.6 | Very low | 32 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 60% | 0.599 | 73% | 0.726 | S | S | * | * | cis | -148.2 | -177.7 | -0.9 | -112 | 21 | 0 | 0 | 0 | 110.8 | ||||
| 3170 | E | 32 | Very low | 31.6 | Very low | 163 Ų | 163 | 145.6 Ų | 145.6 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | trans | -1.4 | 146.3 | 149.5 | -58.3 | 131 | 179.6 | 0 | 0 | 118.7 | ||||
| 3171 | E | 31.6 | Very low | 31.9 | Very low | 159 Ų | 159 | 141.8 Ų | 141.8 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | cis | -159.9 | -170.8 | -16.2 | -127.8 | -134.5 | 109.5 | 0 | 0 | 106 | ||||
| 3172 | A | 34.3 | Very low | 32.1 | Very low | 79 Ų | 79 | 143.5 Ų | 143.5 | 65% | 0.653 | 73% | 0.727 | S | S | * | * | cis | -154.5 | 179.6 | 17.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 3173 | Q | 33 | Very low | 32.4 | Very low | 152 Ų | 152 | 147.8 Ų | 147.8 | 71% | 0.71 | 73% | 0.729 | S | S | * | * | trans | -26.2 | 157.8 | 150.1 | -64.1 | 170.3 | -11.9 | 0 | 0 | 117.9 | ||||
| 3174 | E | 33.6 | Very low | 32.5 | Very low | 144 Ų | 144 | 145.2 Ų | 145.2 | 67% | 0.673 | 72% | 0.723 | S | S | * | * | cis | -161.9 | 173 | 3 | -132.4 | -167.8 | 111.7 | 0 | 0 | 113.7 | ||||
| 3175 | N | 36 | Very low | 32.8 | Very low | 95 Ų | 95 | 147.1 Ų | 147.1 | 51% | 0.508 | 73% | 0.733 | S | S | . | * | trans | 60.6 | 118.1 | 159 | -73.4 | -59.3 | 0 | 0 | 0 | 119.7 | K3177 | N3175-K3177 PolarHBondContact OD1-NZ 3.2Š| ||
| 3176 | S | 32.6 | Very low | 33 | Very low | 86 Ų | 86 | 141.1 Ų | 141.1 | 60% | 0.601 | 72% | 0.722 | S | S | * | * | cis | 80.6 | 121.3 | 28.7 | 100.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 3177 | K | 33.8 | Very low | 33.1 | Very low | 149 Ų | 149 | 140 Ų | 140 | 65% | 0.648 | 72% | 0.724 | S | S | * | * | 163.8 | 127.5 | 115.9 | -90.5 | 142.6 | -168.8 | 149.7 | 0 | 116.3 | N3175 | N3175-K3177 PolarHBondContact OD1-NZ 3.2Š| |||
| 3178 | K | 35.4 | Very low | 33.2 | Very low | 186 Ų | 186 | 141.8 Ų | 141.8 | 81% | 0.809 | 72% | 0.721 | S | S | * | * | trans | 68.3 | 158.9 | 144.7 | -57.3 | 167.6 | -177.1 | 178.2 | 0 | 117.9 | ||||
| 3179 | L | 32 | Very low | 33 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 83% | 0.832 | 72% | 0.723 | S | S | * | * | cis | -118.3 | 152.3 | -13.4 | -67.5 | 81.6 | 0 | 0 | 0 | 107.8 | ||||
| 3180 | R | 31.4 | Very low | 33.1 | Very low | 224 Ų | 224 | 145.2 Ų | 145.2 | 85% | 0.845 | 73% | 0.733 | S | S | * | * | cis | 86.7 | 117.5 | 25 | -105.6 | -158.7 | -177.9 | -173.2 | 2.2 | 118.7 | ||||
| 3181 | T | 32.4 | Very low | 33.2 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 71% | 0.712 | 73% | 0.733 | S | S | * | * | trans | 65.4 | 126.1 | 144 | 48.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 3182 | Q | 33.5 | Very low | 33.3 | Very low | 166 Ų | 166 | 147.4 Ų | 147.4 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | -163.2 | 124.1 | 99 | -96.2 | 177.4 | -11.1 | 0 | 0 | 110.3 | |||||
| 3183 | Q | 33.1 | Very low | 33 | Very low | 156 Ų | 156 | 155 Ų | 155 | 73% | 0.729 | 75% | 0.751 | S | S | * | * | 76.1 | 109.2 | 101.6 | -74.4 | -179.7 | -42.8 | 0 | 0 | 114.2 | |||||
| 3184 | S | 30.7 | Very low | 32.8 | Very low | 99 Ų | 99 | 160.2 Ų | 160.2 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | 76.3 | 135.9 | 74 | 70.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 3185 | E | 34.4 | Very low | 32.7 | Very low | 185 Ų | 185 | 161 Ų | 161 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | cis | -153.8 | -179.9 | 48.6 | -89.2 | -158.9 | 136.4 | 0 | 0 | 115.4 | ||||
| 3186 | P | 34.8 | Very low | 32.6 | Very low | 107 Ų | 107 | 164.5 Ų | 164.5 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | trans | -119.2 | 172.3 | -166.5 | 43.1 | -33.1 | 0 | 0 | 0 | 117.2 | ||||
| 3187 | I | 32.3 | Very low | 32.6 | Very low | 163 Ų | 163 | 168.8 Ų | 168.8 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | -163.1 | 119.2 | 153.1 | -93.7 | 139.9 | 0 | 0 | 0 | 106 | ||||
| 3188 | Q | 32.4 | Very low | 32.5 | Very low | 157 Ų | 157 | 170 Ų | 170 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | 85.8 | 110 | 60 | -86 | -143.5 | 8.8 | 0 | 0 | 116.5 | |||||
| 3189 | F | 29.2 | Very low | 32.3 | Very low | 174 Ų | 174 | 169 Ų | 169 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | trans | 56.7 | 156.8 | 157.3 | -67.3 | -86.2 | 0 | 0 | 0 | 118.7 | ||||
| 3190 | T | 37.2 | Very low | 32.3 | Very low | 131 Ų | 131 | 169.7 Ų | 169.7 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | cis | -145.5 | 163.3 | 17.9 | -35.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 3191 | Q | 34.1 | Very low | 32.4 | Very low | 166 Ų | 166 | 165.8 Ų | 165.8 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | trans | -71.9 | 152.1 | 176.4 | -54.4 | 167.9 | -12.9 | 0 | 0 | 114.3 | ||||
| 3192 | K | 33 | Very low | 32.4 | Very low | 202 Ų | 202 | 169.6 Ų | 169.6 | 88% | 0.878 | 82% | 0.82 | S | S | * | * | -169.6 | 160.2 | 107.4 | -104.5 | 167.2 | -175.4 | 172.3 | 0 | 114.1 | |||||
| 3193 | R | 28.9 | Very low | 32.3 | Very low | 237 Ų | 237 | 169.9 Ų | 169.9 | 89% | 0.894 | 82% | 0.824 | S | S | * | * | trans | -76 | 154.3 | -175.2 | -58.6 | 173.7 | 176.5 | 161.4 | -3.9 | 112.7 | ||||
| 3194 | Q | 27.5 | Very low | 32.2 | Very low | 262 Ų | 262 | 171.2 Ų | 171.2 | 100% | 1.224 | 83% | 0.833 | S | S | * | * | -125.6 | 0 | 108 | -158.6 | 164 | 24.5 | 0 | 0 | 109.4 |
Retrieved 3,194 of 3,194 residues in 1284 ms
(Link to these results)