| 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 | 37.6 | Very low | 61.8 | Low | 106 Ų | 106 | 55.5 Ų | 55.5 | 52% | 0.522 | 27% | 0.268 | S | S | . | . | 0 | 119.9 | 0 | -82.3 | 179.9 | 174.8 | 0 | 0 | 105.3 | D5 I9 S84 D121 | M1-D5 VanDerWaalsContact CA-OD2 3.29Å; M1-D5 WeakPolarHBondContact CA-OD2 3.2Å; M1-D5 HydrophobicContact CB-CB 4.38Å; M1-I9 HydrophobicContact CE-CD1 3.91Å; M1-I9 HydrophobicContact SD-CD1 4.13Å; M1-S84 WeakPolarHBondContact CE-OG 3.27Å; M1-D121 HydrophobicContact CE-CB 4.41Å; M1-D121 WeakPolarHBondContact CE-OD2 3.15Å | |||
| 2 | D | 40.7 | Very low | 63.2 | Low | 30 Ų | 30 | 51.1 Ų | 51.1 | 16% | 0.16 | 25% | 0.247 | C | C | . | . | trans | -80.8 | 161.1 | 178.7 | -55.6 | -8.2 | 0 | 0 | 0 | 108 | E4 D5 S6 Q1619 K1626 | D2-E4 PolarHBondContact O-N 2.69Å; D2-D5 PolarHBondContact N-OD2 3.42Å; D2-D5 WeakPolarHBondContact O-CA 3.32Å; D2-D5 VanDerWaalsContact O-CB 3.3Å; D2-D5 WeakPolarHBondContact O-CB 3.14Å; D2-D5 PolarHBondContact O-N 3.5Å; D2-S6 PolarHBondContact O-N 3.39Å; D2-Q1619 PolarHBondContact OD1-NE2 3.43Å; D2-K1626 IonicContact OD2-NZ 3.16Å; D2-K1626 PolarHBondContact OD2-NZ 3.19Å | ||
| 3 | D | 46.3 | Very low | 64.4 | Low | 29 Ų | 29 | 52.2 Ų | 52.2 | 16% | 0.155 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.4 | -27.7 | -175.8 | -25 | -42.9 | 0 | 0 | 0 | 111.9 | S6 T7 P1473 E1474 | D3-S6 PolarHBondContact O-N 3.35Å; D3-T7 VanDerWaalsContact O-CB 3.25Å; D3-T7 WeakPolarHBondContact O-CB 3.33Å; D3-T7 PolarHBondContact O-N 3.32Å; D3-T7 PolarHBondContact O-OG1 3.35Å; D3-P1473 WeakPolarHBondContact OD1-CB 3.16Å; D3-P1473 WeakPolarHBondContact OD1-CG 3.41Å; D3-E1474 HydrophobicContact CB-CG 3.84Å; D3-E1474 VanDerWaalsContact CG-CG 3.42Å; D3-E1474 VanDerWaalsContact OD1-CG 3.27Å; D3-E1474 WeakPolarHBondContact OD1-CG 3.45Å; D3-E1474 PolarHBondContact OD1-N 3.13Å; D3-E1474 VanDerWaalsContact OD1-N 3.07Å; D3-E1474 VanDerWaalsContact OD2-CA 3.28Å; D3-E1474 WeakPolarHBondContact OD2-CA 3.31Å; D3-E1474 PolarHBondContact OD2-N 2.88Å |
| 4 | E | 53 | Low | 65.5 | Low | 116 Ų | 116 | 52.2 Ų | 52.2 | 54% | 0.542 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64 | -45.1 | 169.8 | -60.5 | -167.1 | 162.8 | 0 | 0 | 110.7 | D2 T7 F8 | D2-E4 PolarHBondContact O-N 2.69Å; E4-T7 PolarHBondContact O-N 2.59Å; E4-F8 WeakPolarHBondContact O-CB 3.39Å; E4-F8 PolarHBondContact O-N 3.47Å |
| 5 | D | 60.2 | Low | 66.3 | Low | 9 Ų | 9 | 54.6 Ų | 54.6 | 5% | 0.048 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.3 | -47.6 | 172.6 | -49.4 | -30.9 | 0 | 0 | 0 | 110.5 | M1 D2 T7 F8 I9 Y30 I83 R97 | M1-D5 VanDerWaalsContact CA-OD2 3.29Å; M1-D5 WeakPolarHBondContact CA-OD2 3.2Å; M1-D5 HydrophobicContact CB-CB 4.38Å; D2-D5 PolarHBondContact N-OD2 3.42Å; D2-D5 WeakPolarHBondContact O-CA 3.32Å; D2-D5 VanDerWaalsContact O-CB 3.3Å; D2-D5 WeakPolarHBondContact O-CB 3.14Å; D2-D5 PolarHBondContact O-N 3.5Å; D5-T7 VanDerWaalsContact C-N 3.32Å; D5-T7 PolarHBondContact O-N 2.77Å; D5-F8 PolarHBondContact O-N 3.46Å; D5-I9 HydrophobicContact CB-CD1 4.46Å; D5-I9 VanDerWaalsContact O-CB 3.26Å; D5-I9 WeakPolarHBondContact O-CB 3.36Å; D5-I9 WeakPolarHBondContact O-CD1 3.21Å; D5-I9 WeakPolarHBondContact O-CG1 3.34Å; D5-I9 PolarHBondContact O-N 2.86Å; D5-Y30 WeakPolarHBondContact OD1-CE2 3.32Å; D5-Y30 PolarHBondContact OD1-OH 2.81Å; D5-I83 HydrophobicContact CB-CG2 4.44Å; D5-R97 IonicContact OD1-CZ 3.07Å; D5-R97 IonicContact OD1-NH2 3.15Å; D5-R97 PolarHBondContact OD1-NH2 3.37Å |
| 6 | S | 65.1 | Low | 67.1 | Low | 28 Ų | 28 | 52.9 Ų | 52.9 | 20% | 0.196 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.8 | -43.2 | 178.7 | 158.6 | 0 | 0 | 0 | 0 | 112.1 | D2 D3 R10 | D2-S6 PolarHBondContact O-N 3.39Å; D3-S6 PolarHBondContact O-N 3.35Å; S6-R10 VanDerWaalsContact O-CG 3.29Å; S6-R10 WeakPolarHBondContact O-CG 3.2Å; S6-R10 PolarHBondContact O-N 3.33Å |
| 7 | T | 68.9 | Low | 67.6 | Low | 66 Ų | 66 | 54.9 Ų | 54.9 | 41% | 0.405 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -74.8 | -42 | 178.9 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | D3 E4 D5 R10 M11 | D3-T7 VanDerWaalsContact O-CB 3.25Å; D3-T7 WeakPolarHBondContact O-CB 3.33Å; D3-T7 PolarHBondContact O-N 3.32Å; D3-T7 PolarHBondContact O-OG1 3.35Å; E4-T7 PolarHBondContact O-N 2.59Å; D5-T7 VanDerWaalsContact C-N 3.32Å; D5-T7 PolarHBondContact O-N 2.77Å; T7-R10 PolarHBondContact O-N 3.1Å; T7-M11 HydrophobicContact CG2-CE 3.56Å; T7-M11 HydrophobicContact CG2-SD 4.32Å; T7-M11 WeakPolarHBondContact O-CG 3.35Å; T7-M11 PolarHBondContact O-N 3.11Å |
| 8 | F | 76.2 | Confident | 68.3 | Low | 7 Ų | 7 | 60 Ų | 60 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62 | -43.6 | 175.8 | 175.4 | -109.1 | 0 | 0 | 0 | 111.9 | E4 D5 M11 L12 I27 Y30 L31 I83 V123 | E4-F8 WeakPolarHBondContact O-CB 3.39Å; E4-F8 PolarHBondContact O-N 3.47Å; D5-F8 PolarHBondContact O-N 3.46Å; F8-M11 PolarHBondContact O-N 3.25Å; F8-L12 HydrophobicContact CD1-CD1 3.87Å; F8-L12 HydrophobicContact CD2-CD1 4.47Å; F8-L12 HydrophobicContact CD2-CG 4.48Å; F8-L12 HydrophobicContact CE1-CD1 3.33Å; F8-L12 HydrophobicContact CE1-CG 4.29Å; F8-L12 HydrophobicContact CE2-CD1 4.02Å; F8-L12 HydrophobicContact CE2-CG 4.22Å; F8-L12 HydrophobicContact CG-CD1 4.41Å; F8-L12 HydrophobicContact CZ-CD1 3.42Å; F8-L12 VanDerWaalsContact CZ-CD1 3.42Å; F8-L12 HydrophobicContact CZ-CG 4.12Å; F8-L12 WeakPolarHBondContact O-CB 3.28Å; F8-L12 PolarHBondContact O-N 3.34Å; F8-I27 HydrophobicContact CD2-CG1 4.29Å; F8-I27 HydrophobicContact CE2-CB 4.18Å; F8-I27 HydrophobicContact CE2-CG1 4.33Å; F8-I27 HydrophobicContact CE2-CG2 3.78Å; F8-Y30 HydrophobicContact CB-CD2 4.27Å; F8-Y30 HydrophobicContact CB-CG 4.36Å; F8-Y30 AromaticContact CD1-CD1 3.71Å; F8-Y30 HydrophobicContact CD1-CD1 3.71Å; F8-Y30 HydrophobicContact CD1-CD2 4.42Å; F8-Y30 AromaticContact CD1-CE1 3.65Å; F8-Y30 HydrophobicContact CD1-CE1 3.65Å; F8-Y30 HydrophobicContact CD1-CE2 4.37Å; F8-Y30 HydrophobicContact CD1-CG 4.11Å; F8-Y30 AromaticContact CD1-CZ 4Å; F8-Y30 AromaticContact CD2-CD1 3.65Å; F8-Y30 HydrophobicContact CD2-CD1 3.65Å; F8-Y30 HydrophobicContact CD2-CD2 4.32Å; F8-Y30 HydrophobicContact CD2-CE1 4.43Å; F8-Y30 AromaticContact CD2-CG 3.58Å; F8-Y30 HydrophobicContact CD2-CG 3.58Å; F8-Y30 AromaticContact CE1-CD1 3.41Å; F8-Y30 HydrophobicContact CE1-CD1 3.41Å; F8-Y30 VanDerWaalsContact CE1-CD1 3.41Å; F8-Y30 AromaticContact CE1-CE1 3.33Å; F8-Y30 HydrophobicContact CE1-CE1 3.33Å; F8-Y30 HydrophobicContact CE1-CG 4.23Å; F8-Y30 AromaticContact CE2-CD1 3.33Å; F8-Y30 HydrophobicContact CE2-CD1 3.33Å; F8-Y30 HydrophobicContact CE2-CE1 4.17Å; F8-Y30 AromaticContact CE2-CG 3.71Å; F8-Y30 HydrophobicContact CE2-CG 3.71Å; F8-Y30 AromaticContact CG-CD1 3.82Å; F8-Y30 HydrophobicContact CG-CD1 3.82Å; F8-Y30 HydrophobicContact CG-CD2 4.12Å; F8-Y30 HydrophobicContact CG-CE1 4.19Å; F8-Y30 HydrophobicContact CG-CE2 4.47Å; F8-Y30 AromaticContact CG-CG 3.79Å; F8-Y30 HydrophobicContact CG-CG 3.79Å; F8-Y30 AromaticContact CZ-CD1 3.2Å; F8-Y30 HydrophobicContact CZ-CD1 3.2Å; F8-Y30 AromaticContact CZ-CE1 3.61Å; F8-Y30 HydrophobicContact CZ-CE1 3.61Å; F8-Y30 HydrophobicContact CZ-CG 4.03Å; F8-L31 HydrophobicContact CE2-CG 4.46Å; F8-L31 HydrophobicContact CZ-CD2 4.13Å; F8-L31 HydrophobicContact CZ-CG 4.37Å; F8-I83 HydrophobicContact CD1-CD1 4.18Å; F8-I83 HydrophobicContact CE1-CD1 3.89Å; F8-I83 HydrophobicContact CE1-CG1 4.25Å; F8-V123 HydrophobicContact CE1-CG2 3.97Å; F8-V123 HydrophobicContact CZ-CG2 4.12Å |
| 9 | I | 77.5 | Confident | 69.1 | Low | 21 Ų | 21 | 57.8 Ų | 57.8 | 11% | 0.108 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 173.8 | -73.3 | 163.9 | 0 | 0 | 0 | 110.5 | M1 D5 M11 L12 A13 Y60 I83 D121 | M1-I9 HydrophobicContact CE-CD1 3.91Å; M1-I9 HydrophobicContact SD-CD1 4.13Å; D5-I9 HydrophobicContact CB-CD1 4.46Å; D5-I9 VanDerWaalsContact O-CB 3.26Å; D5-I9 WeakPolarHBondContact O-CB 3.36Å; D5-I9 WeakPolarHBondContact O-CD1 3.21Å; D5-I9 WeakPolarHBondContact O-CG1 3.34Å; D5-I9 PolarHBondContact O-N 2.86Å; I9-M11 VanDerWaalsContact C-N 3.33Å; I9-M11 PolarHBondContact O-N 3.11Å; I9-L12 PolarHBondContact O-N 3Å; I9-A13 VanDerWaalsContact O-CB 3.31Å; I9-A13 WeakPolarHBondContact O-CB 3.42Å; I9-A13 PolarHBondContact O-N 2.86Å; I9-Y60 HydrophobicContact CB-CD2 4.43Å; I9-Y60 HydrophobicContact CB-CE2 4.17Å; I9-Y60 HydrophobicContact CD1-CE2 4.19Å; I9-Y60 HydrophobicContact CG1-CD2 4.12Å; I9-Y60 HydrophobicContact CG1-CE2 3.73Å; I9-Y60 HydrophobicContact CG2-CD1 4.4Å; I9-Y60 HydrophobicContact CG2-CD2 3.94Å; I9-Y60 HydrophobicContact CG2-CE1 4.01Å; I9-Y60 HydrophobicContact CG2-CE2 3.5Å; I9-Y60 VanDerWaalsContact CG2-CE2 3.5Å; I9-Y60 HydrophobicContact CG2-CG 4.34Å; I9-I83 HydrophobicContact CD1-CG2 4.25Å; I9-I83 HydrophobicContact CG1-CD1 3.98Å; I9-I83 HydrophobicContact CG1-CG2 4.4Å; I9-D121 WeakPolarHBondContact CD1-OD2 3.45Å |
| 10 | R | 76 | Confident | 69.8 | Low | 168 Ų | 168 | 56.8 Ų | 56.8 | 63% | 0.634 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.2 | -41.1 | 174.7 | -70.7 | 173.4 | -157.1 | -160.6 | 10.4 | 111.9 | S6 T7 A13 I14 | S6-R10 VanDerWaalsContact O-CG 3.29Å; S6-R10 WeakPolarHBondContact O-CG 3.2Å; S6-R10 PolarHBondContact O-N 3.33Å; T7-R10 PolarHBondContact O-N 3.1Å; R10-A13 PolarHBondContact O-N 2.87Å; R10-I14 PolarHBondContact O-N 3.03Å |
| 11 | M | 78.7 | Confident | 70.3 | Confident | 30 Ų | 30 | 59 Ų | 59 | 15% | 0.148 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.9 | -37.2 | 177.2 | -68.3 | 175.1 | -176.3 | 0 | 0 | 112.9 | T7 F8 I9 I14 R19 E23 L26 I27 | T7-M11 HydrophobicContact CG2-CE 3.56Å; T7-M11 HydrophobicContact CG2-SD 4.32Å; T7-M11 WeakPolarHBondContact O-CG 3.35Å; T7-M11 PolarHBondContact O-N 3.11Å; F8-M11 PolarHBondContact O-N 3.25Å; I9-M11 VanDerWaalsContact C-N 3.33Å; I9-M11 PolarHBondContact O-N 3.11Å; M11-I14 WeakPolarHBondContact O-CB 3.41Å; M11-I14 PolarHBondContact O-N 2.75Å; M11-R19 PolarHBondContact O-NE 3.03Å; M11-E23 HydrophobicContact CE-CG 4.45Å; M11-E23 HydrophobicContact CG-CB 4.42Å; M11-E23 HydrophobicContact CG-CG 4.23Å; M11-E23 HydrophobicContact SD-CB 4.4Å; M11-E23 HydrophobicContact SD-CG 4.34Å; M11-L26 HydrophobicContact CE-CD1 3.59Å; M11-L26 HydrophobicContact SD-CB 3.85Å; M11-L26 HydrophobicContact SD-CD1 4Å; M11-I27 HydrophobicContact CB-CD1 4.03Å; M11-I27 HydrophobicContact CB-CG1 4.01Å |
| 12 | L | 78.3 | Confident | 72.2 | Confident | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -73.7 | -24.9 | 175.1 | -75.8 | -179.3 | 0 | 0 | 0 | 113.6 | F8 I9 I14 R19 I27 A58 Y60 I83 V123 | F8-L12 HydrophobicContact CD1-CD1 3.87Å; F8-L12 HydrophobicContact CD2-CD1 4.47Å; F8-L12 HydrophobicContact CD2-CG 4.48Å; F8-L12 HydrophobicContact CE1-CD1 3.33Å; F8-L12 HydrophobicContact CE1-CG 4.29Å; F8-L12 HydrophobicContact CE2-CD1 4.02Å; F8-L12 HydrophobicContact CE2-CG 4.22Å; F8-L12 HydrophobicContact CG-CD1 4.41Å; F8-L12 HydrophobicContact CZ-CD1 3.42Å; F8-L12 VanDerWaalsContact CZ-CD1 3.42Å; F8-L12 HydrophobicContact CZ-CG 4.12Å; F8-L12 WeakPolarHBondContact O-CB 3.28Å; F8-L12 PolarHBondContact O-N 3.34Å; I9-L12 PolarHBondContact O-N 3Å; L12-I14 VanDerWaalsContact C-N 3.28Å; L12-R19 PolarHBondContact O-NH2 3.26Å; L12-I27 HydrophobicContact CD2-CD1 4.06Å; L12-I27 HydrophobicContact CD2-CG1 4.3Å; L12-I27 HydrophobicContact CD2-CG2 3.86Å; L12-A58 HydrophobicContact CD2-CB 4.04Å; L12-Y60 PolarHBondContact O-N 3.24Å; L12-I83 HydrophobicContact CD1-CD1 4.15Å; L12-V123 HydrophobicContact CD1-CB 4.32Å; L12-V123 HydrophobicContact CD1-CG1 3.94Å; L12-V123 HydrophobicContact CD1-CG2 3.7Å; L12-V123 HydrophobicContact CD2-CG1 4.33Å |
| 13 | A | 78.3 | Confident | 74.1 | Confident | 65 Ų | 65 | 61 Ų | 61 | 54% | 0.537 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -71.5 | -21.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I9 R10 V15 | I9-A13 VanDerWaalsContact O-CB 3.31Å; I9-A13 WeakPolarHBondContact O-CB 3.42Å; I9-A13 PolarHBondContact O-N 2.86Å; R10-A13 PolarHBondContact O-N 2.87Å; A13-V15 PolarHBondContact O-N 3.33Å |
| 14 | I | 80.4 | Confident | 75.9 | Confident | 53 Ų | 53 | 60.8 Ų | 60.8 | 27% | 0.272 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -66.6 | 129.6 | 167.4 | -58.5 | 169.3 | 0 | 0 | 0 | 108.4 | R10 M11 L12 H18 R19 E23 | R10-I14 PolarHBondContact O-N 3.03Å; M11-I14 WeakPolarHBondContact O-CB 3.41Å; M11-I14 PolarHBondContact O-N 2.75Å; L12-I14 VanDerWaalsContact C-N 3.28Å; I14-H18 HydrophobicContact CG2-CB 4.03Å; I14-R19 HydrophobicContact CB-CG 4.09Å; I14-R19 HydrophobicContact CG2-CG 3.81Å; I14-R19 PolarHBondContact O-NE 3.01Å; I14-R19 VanDerWaalsContact O-NE 3.11Å; I14-R19 PolarHBondContact O-NH2 3.07Å; I14-E23 WeakPolarHBondContact CD1-OE1 3.28Å |
| 15 | V | 77.4 | Confident | 77.1 | Confident | 88 Ų | 88 | 58 Ų | 58 | 53% | 0.533 | 33% | 0.33 | S | S | . | . | trans | -57.1 | 132.2 | 176.8 | -180 | 0 | 0 | 0 | 0 | 109.7 | A13 A17 H18 | A13-V15 PolarHBondContact O-N 3.33Å; V15-A17 PolarHBondContact O-N 3.47Å; V15-H18 PolarHBondContact O-N 2.96Å | ||
| 16 | P | 79.9 | Confident | 77.9 | Confident | 28 Ų | 28 | 62.4 Ų | 62.4 | 18% | 0.182 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -40.5 | -43.3 | 179.6 | -39.8 | 40.4 | 0 | 0 | 0 | 116.3 | H18 R19 R56 Y57 R59 | P16-H18 PolarHBondContact O-N 3.11Å; P16-H18 VanDerWaalsContact O-N 3.11Å; P16-R19 PolarHBondContact O-N 2.97Å; P16-R56 WeakPolarHBondContact CB-O 3.46Å; P16-Y57 WeakPolarHBondContact CG-O 3.16Å; P16-R59 HydrophobicContact CG-CG 4.08Å |
| 17 | A | 74.4 | Confident | 78.7 | Confident | 86 Ų | 86 | 61.1 Ų | 61.1 | 71% | 0.711 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -68.9 | -3.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | V15 | V15-A17 PolarHBondContact O-N 3.47Š|
| 18 | H | 80.8 | Confident | 79.3 | Confident | 147 Ų | 147 | 59 Ų | 59 | 68% | 0.681 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -122.6 | 0.4 | -176.8 | -61.5 | -29.3 | 0 | 0 | 0 | 113.9 | I14 V15 P16 | I14-H18 HydrophobicContact CG2-CB 4.03Å; V15-H18 PolarHBondContact O-N 2.96Å; P16-H18 PolarHBondContact O-N 3.11Å; P16-H18 VanDerWaalsContact O-N 3.11Å |
| 19 | R | 82.9 | Confident | 79.4 | Confident | 18 Ų | 18 | 60.3 Ų | 60.3 | 7% | 0.068 | 35% | 0.345 | C | S | . | . | trans | -76.9 | 133.1 | 177.9 | -65.5 | -175.2 | -171.9 | 141.6 | 14.9 | 112.2 | M11 L12 I14 P16 N24 S55 A58 | M11-R19 PolarHBondContact O-NE 3.03Å; L12-R19 PolarHBondContact O-NH2 3.26Å; I14-R19 HydrophobicContact CB-CG 4.09Å; I14-R19 HydrophobicContact CG2-CG 3.81Å; I14-R19 PolarHBondContact O-NE 3.01Å; I14-R19 VanDerWaalsContact O-NE 3.11Å; I14-R19 PolarHBondContact O-NH2 3.07Å; P16-R19 PolarHBondContact O-N 2.97Å; R19-N24 WeakPolarHBondContact CB-ND2 3.45Å; R19-N24 WeakPolarHBondContact CD-OD1 3.37Å; R19-N24 PolarHBondContact O-ND2 2.79Å; R19-S55 PolarHBondContact NH1-O 3.06Å; R19-S55 VanDerWaalsContact NH1-O 3.15Å; R19-A58 VanDerWaalsContact CZ-O 3.23Å; R19-A58 PolarHBondContact NH1-O 3.2Å; R19-A58 PolarHBondContact NH2-O 3.5Å | ||
| 20 | S | 83.6 | Confident | 79.2 | Confident | 38 Ų | 38 | 60.1 Ų | 60.1 | 27% | 0.266 | 34% | 0.343 | S | S | . | . | trans | -66.5 | 160.6 | 169.8 | 66.3 | 0 | 0 | 0 | 0 | 112.3 | Q22 E23 N24 | S20-Q22 PolarHBondContact O-N 2.99Å; S20-E23 WeakPolarHBondContact CB-OE2 3.3Å; S20-E23 PolarHBondContact N-OE2 3.23Å; S20-E23 PolarHBondContact O-N 3.39Å; S20-E23 VanDerWaalsContact OG-CD 3.26Å; S20-E23 WeakPolarHBondContact OG-CG 3.38Å; S20-E23 PolarHBondContact OG-N 2.68Å; S20-E23 VanDerWaalsContact OG-N 3.11Å; S20-E23 PolarHBondContact OG-OE2 3.12Å; S20-N24 PolarHBondContact O-N 2.63Å; S20-N24 VanDerWaalsContact O-N 3.1Å; S20-N24 PolarHBondContact O-ND2 2.86Å | ||
| 21 | P | 79.5 | Confident | 79.2 | Confident | 102 Ų | 102 | 52.1 Ų | 52.1 | 66% | 0.662 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -56.2 | -32 | 170.3 | -26.1 | 35.7 | 0 | 0 | 0 | 113.4 | A25 | P21-A25 WeakPolarHBondContact O-CB 3.39Å; P21-A25 PolarHBondContact O-N 3.1Å |
| 22 | Q | 77.4 | Confident | 78.9 | Confident | 129 Ų | 129 | 56.6 Ų | 56.6 | 60% | 0.603 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -69.5 | -47.4 | 179 | -70.8 | 77.1 | 0.6 | 0 | 0 | 111.8 | S20 N24 A25 L26 | S20-Q22 PolarHBondContact O-N 2.99Å; Q22-N24 PolarHBondContact O-N 2.92Å; Q22-A25 WeakPolarHBondContact O-CB 3.29Å; Q22-A25 PolarHBondContact O-N 3.39Å; Q22-A25 VanDerWaalsContact O-N 3.15Å; Q22-L26 WeakPolarHBondContact O-CG 3.45Å; Q22-L26 PolarHBondContact O-N 3.2Å |
| 23 | E | 81.7 | Confident | 78.3 | Confident | 49 Ų | 49 | 60.4 Ų | 60.4 | 23% | 0.229 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64 | -41.6 | 176.3 | -68.8 | 154.6 | 135.6 | 0 | 0 | 111.1 | M11 I14 S20 A25 L26 I27 | M11-E23 HydrophobicContact CE-CG 4.45Å; M11-E23 HydrophobicContact CG-CB 4.42Å; M11-E23 HydrophobicContact CG-CG 4.23Å; M11-E23 HydrophobicContact SD-CB 4.4Å; M11-E23 HydrophobicContact SD-CG 4.34Å; I14-E23 WeakPolarHBondContact CD1-OE1 3.28Å; S20-E23 WeakPolarHBondContact CB-OE2 3.3Å; S20-E23 PolarHBondContact N-OE2 3.23Å; S20-E23 PolarHBondContact O-N 3.39Å; S20-E23 VanDerWaalsContact OG-CD 3.26Å; S20-E23 WeakPolarHBondContact OG-CG 3.38Å; S20-E23 PolarHBondContact OG-N 2.68Å; S20-E23 VanDerWaalsContact OG-N 3.11Å; S20-E23 PolarHBondContact OG-OE2 3.12Å; E23-A25 PolarHBondContact O-N 3.33Å; E23-L26 PolarHBondContact O-N 3.22Å; E23-I27 VanDerWaalsContact O-CG1 3.3Å; E23-I27 WeakPolarHBondContact O-CG1 3.35Å; E23-I27 PolarHBondContact O-N 3.4Å |
| 24 | N | 83.1 | Confident | 77.8 | Confident | 26 Ų | 26 | 57.4 Ų | 57.4 | 14% | 0.139 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.5 | -28.7 | 174.4 | -71.8 | -56.6 | 0 | 0 | 0 | 113.2 | R19 S20 Q22 F28 S55 | R19-N24 WeakPolarHBondContact CB-ND2 3.45Å; R19-N24 WeakPolarHBondContact CD-OD1 3.37Å; R19-N24 PolarHBondContact O-ND2 2.79Å; S20-N24 PolarHBondContact O-N 2.63Å; S20-N24 VanDerWaalsContact O-N 3.1Å; S20-N24 PolarHBondContact O-ND2 2.86Å; Q22-N24 PolarHBondContact O-N 2.92Å; N24-F28 VanDerWaalsContact O-CB 3.25Å; N24-F28 WeakPolarHBondContact O-CB 3.45Å; N24-F28 PolarHBondContact O-N 3.19Å; N24-F28 VanDerWaalsContact O-N 3.07Å; N24-S55 PolarHBondContact O-OG 2.75Å; N24-S55 PolarHBondContact OD1-O 3.02Å |
| 25 | A | 78.8 | Confident | 76.7 | Confident | 56 Ų | 56 | 58.6 Ų | 58.6 | 46% | 0.463 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -76.5 | -33.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P21 Q22 E23 G29 | P21-A25 WeakPolarHBondContact O-CB 3.39Å; P21-A25 PolarHBondContact O-N 3.1Å; Q22-A25 WeakPolarHBondContact O-CB 3.29Å; Q22-A25 PolarHBondContact O-N 3.39Å; Q22-A25 VanDerWaalsContact O-N 3.15Å; E23-A25 PolarHBondContact O-N 3.33Å; A25-G29 PolarHBondContact O-N 3.16Å |
| 26 | L | 77.9 | Confident | 75.6 | Confident | 103 Ų | 103 | 55.7 Ų | 55.7 | 54% | 0.539 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -72.5 | -41.7 | 173.8 | -68.5 | 169.6 | 0 | 0 | 0 | 111.6 | M11 Q22 E23 F28 G29 Y30 | M11-L26 HydrophobicContact CE-CD1 3.59Å; M11-L26 HydrophobicContact SD-CB 3.85Å; M11-L26 HydrophobicContact SD-CD1 4Å; Q22-L26 WeakPolarHBondContact O-CG 3.45Å; Q22-L26 PolarHBondContact O-N 3.2Å; E23-L26 PolarHBondContact O-N 3.22Å; L26-F28 VanDerWaalsContact C-N 3.33Å; L26-F28 PolarHBondContact O-N 3.27Å; L26-G29 PolarHBondContact O-N 3.44Å; L26-G29 VanDerWaalsContact O-N 3.15Å; L26-Y30 PolarHBondContact O-N 3.29Å |
| 27 | I | 81.1 | Confident | 74.5 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 170.9 | -65.4 | 163.3 | 0 | 0 | 0 | 110.4 | F8 M11 L12 E23 G29 Y30 L31 | F8-I27 HydrophobicContact CD2-CG1 4.29Å; F8-I27 HydrophobicContact CE2-CB 4.18Å; F8-I27 HydrophobicContact CE2-CG1 4.33Å; F8-I27 HydrophobicContact CE2-CG2 3.78Å; M11-I27 HydrophobicContact CB-CD1 4.03Å; M11-I27 HydrophobicContact CB-CG1 4.01Å; L12-I27 HydrophobicContact CD2-CD1 4.06Å; L12-I27 HydrophobicContact CD2-CG1 4.3Å; L12-I27 HydrophobicContact CD2-CG2 3.86Å; E23-I27 VanDerWaalsContact O-CG1 3.3Å; E23-I27 WeakPolarHBondContact O-CG1 3.35Å; E23-I27 PolarHBondContact O-N 3.4Å; I27-G29 VanDerWaalsContact C-N 3.35Å; I27-Y30 PolarHBondContact O-N 2.97Å; I27-L31 HydrophobicContact CG2-CD1 4.12Å; I27-L31 WeakPolarHBondContact O-CG 3.25Å; I27-L31 PolarHBondContact O-N 3.33Å |
| 28 | F | 82.1 | Confident | 73.3 | Confident | 23 Ų | 23 | 53 Ų | 53 | 10% | 0.101 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 173.7 | 167.8 | -102.5 | 0 | 0 | 0 | 112.5 | N24 L26 L31 R32 D48 L51 R52 | N24-F28 VanDerWaalsContact O-CB 3.25Å; N24-F28 WeakPolarHBondContact O-CB 3.45Å; N24-F28 PolarHBondContact O-N 3.19Å; N24-F28 VanDerWaalsContact O-N 3.07Å; L26-F28 VanDerWaalsContact C-N 3.33Å; L26-F28 PolarHBondContact O-N 3.27Å; F28-L31 PolarHBondContact O-N 2.88Å; F28-R32 WeakPolarHBondContact O-CB 3.36Å; F28-R32 PolarHBondContact O-N 3.41Å; F28-D48 WeakPolarHBondContact CE2-O 3.44Å; F28-D48 HydrophobicContact CZ-CB 4.36Å; F28-D48 VanDerWaalsContact CZ-OD1 3.29Å; F28-D48 WeakPolarHBondContact CZ-OD1 3.42Å; F28-L51 HydrophobicContact CD2-CB 4.05Å; F28-L51 HydrophobicContact CE2-CB 3.96Å; F28-R52 HydrophobicContact CD2-CB 3.78Å; F28-R52 HydrophobicContact CD2-CG 4.39Å; F28-R52 HydrophobicContact CE2-CB 3.99Å; F28-R52 HydrophobicContact CG-CB 4.48Å; F28-R52 VanDerWaalsContact CZ-NH2 3.31Å |
| 29 | G | 76.8 | Confident | 71.3 | Confident | 34 Ų | 34 | 50.8 Ų | 50.8 | 35% | 0.351 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.5 | -48.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A25 L26 I27 R32 T33 | A25-G29 PolarHBondContact O-N 3.16Å; L26-G29 PolarHBondContact O-N 3.44Å; L26-G29 VanDerWaalsContact O-N 3.15Å; I27-G29 VanDerWaalsContact C-N 3.35Å; G29-R32 WeakPolarHBondContact O-CB 3.42Å; G29-R32 PolarHBondContact O-N 3.46Å; G29-T33 PolarHBondContact O-N 2.89Å |
| 30 | Y | 75.1 | Confident | 68.9 | Low | 16 Ų | 16 | 55.3 Ų | 55.3 | 6% | 0.063 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 176.4 | -179.5 | -80.6 | 0 | 0 | 0 | 112.3 | D5 F8 L26 I27 R32 T33 I34 R97 | D5-Y30 WeakPolarHBondContact OD1-CE2 3.32Å; D5-Y30 PolarHBondContact OD1-OH 2.81Å; F8-Y30 HydrophobicContact CB-CD2 4.27Å; F8-Y30 HydrophobicContact CB-CG 4.36Å; F8-Y30 AromaticContact CD1-CD1 3.71Å; F8-Y30 HydrophobicContact CD1-CD1 3.71Å; F8-Y30 HydrophobicContact CD1-CD2 4.42Å; F8-Y30 AromaticContact CD1-CE1 3.65Å; F8-Y30 HydrophobicContact CD1-CE1 3.65Å; F8-Y30 HydrophobicContact CD1-CE2 4.37Å; F8-Y30 HydrophobicContact CD1-CG 4.11Å; F8-Y30 AromaticContact CD1-CZ 4Å; F8-Y30 AromaticContact CD2-CD1 3.65Å; F8-Y30 HydrophobicContact CD2-CD1 3.65Å; F8-Y30 HydrophobicContact CD2-CD2 4.32Å; F8-Y30 HydrophobicContact CD2-CE1 4.43Å; F8-Y30 AromaticContact CD2-CG 3.58Å; F8-Y30 HydrophobicContact CD2-CG 3.58Å; F8-Y30 AromaticContact CE1-CD1 3.41Å; F8-Y30 HydrophobicContact CE1-CD1 3.41Å; F8-Y30 VanDerWaalsContact CE1-CD1 3.41Å; F8-Y30 AromaticContact CE1-CE1 3.33Å; F8-Y30 HydrophobicContact CE1-CE1 3.33Å; F8-Y30 HydrophobicContact CE1-CG 4.23Å; F8-Y30 AromaticContact CE2-CD1 3.33Å; F8-Y30 HydrophobicContact CE2-CD1 3.33Å; F8-Y30 HydrophobicContact CE2-CE1 4.17Å; F8-Y30 AromaticContact CE2-CG 3.71Å; F8-Y30 HydrophobicContact CE2-CG 3.71Å; F8-Y30 AromaticContact CG-CD1 3.82Å; F8-Y30 HydrophobicContact CG-CD1 3.82Å; F8-Y30 HydrophobicContact CG-CD2 4.12Å; F8-Y30 HydrophobicContact CG-CE1 4.19Å; F8-Y30 HydrophobicContact CG-CE2 4.47Å; F8-Y30 AromaticContact CG-CG 3.79Å; F8-Y30 HydrophobicContact CG-CG 3.79Å; F8-Y30 AromaticContact CZ-CD1 3.2Å; F8-Y30 HydrophobicContact CZ-CD1 3.2Å; F8-Y30 AromaticContact CZ-CE1 3.61Å; F8-Y30 HydrophobicContact CZ-CE1 3.61Å; F8-Y30 HydrophobicContact CZ-CG 4.03Å; L26-Y30 PolarHBondContact O-N 3.29Å; I27-Y30 PolarHBondContact O-N 2.97Å; Y30-R32 PolarHBondContact O-N 2.97Å; Y30-R32 VanDerWaalsContact O-N 3.14Å; Y30-T33 PolarHBondContact O-N 3.15Å; Y30-T33 PolarHBondContact O-OG1 3.5Å; Y30-I34 HydrophobicContact CE1-CD1 4.27Å; Y30-R97 PolarHBondContact OH-NE 3Å; Y30-R97 PolarHBondContact OH-NH2 3.19Å |
| 31 | L | 74 | Confident | 66.8 | Low | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.8 | -26.2 | 175.5 | -70.6 | 175.4 | 0 | 0 | 0 | 112.3 | F8 I27 F28 I34 I54 I81 | F8-L31 HydrophobicContact CE2-CG 4.46Å; F8-L31 HydrophobicContact CZ-CD2 4.13Å; F8-L31 HydrophobicContact CZ-CG 4.37Å; I27-L31 HydrophobicContact CG2-CD1 4.12Å; I27-L31 WeakPolarHBondContact O-CG 3.25Å; I27-L31 PolarHBondContact O-N 3.33Å; F28-L31 PolarHBondContact O-N 2.88Å; L31-I34 HydrophobicContact CD2-CD1 4.06Å; L31-I34 PolarHBondContact O-N 2.87Å; L31-I54 HydrophobicContact CD1-CG2 3.96Å; L31-I81 HydrophobicContact CD2-CD1 3.69Å |
| 32 | R | 72.7 | Confident | 64.6 | Low | 125 Ų | 125 | 56.5 Ų | 56.5 | 47% | 0.472 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -12 | 174.5 | -171.8 | 170.3 | 175.8 | 155.5 | 2 | 114.3 | F28 G29 Y30 I34 N38 D48 | F28-R32 WeakPolarHBondContact O-CB 3.36Å; F28-R32 PolarHBondContact O-N 3.41Å; G29-R32 WeakPolarHBondContact O-CB 3.42Å; G29-R32 PolarHBondContact O-N 3.46Å; Y30-R32 PolarHBondContact O-N 2.97Å; Y30-R32 VanDerWaalsContact O-N 3.14Å; R32-I34 VanDerWaalsContact C-N 3.29Å; R32-N38 PolarHBondContact O-ND2 3.31Å; R32-D48 IonicContact CZ-OD1 2.68Å; R32-D48 IonicContact CZ-OD2 3.36Å; R32-D48 IonicContact NE-OD1 3.91Å; R32-D48 IonicContact NH1-OD1 3.64Å; R32-D48 PolarHBondContact NH1-OD1 3.17Å; R32-D48 IonicContact NH1-OD2 3.34Å; R32-D48 PolarHBondContact NH1-OD2 2.99Å; R32-D48 IonicContact NH2-OD2 2.79Å |
| 33 | T | 67.1 | Low | 62.6 | Low | 83 Ų | 83 | 56.1 Ų | 56.1 | 51% | 0.509 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -7.8 | 169.7 | 69 | 0 | 0 | 0 | 0 | 112.9 | G29 Y30 E35 | G29-T33 PolarHBondContact O-N 2.89Å; Y30-T33 PolarHBondContact O-N 3.15Å; Y30-T33 PolarHBondContact O-OG1 3.5Å; T33-E35 PolarHBondContact O-N 2.82Å |
| 34 | I | 66.8 | Low | 60.5 | Low | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | trans | -82.8 | 106.4 | 179 | -56.8 | -179.5 | 0 | 0 | 0 | 109.7 | Y30 L31 R32 G36 L37 N38 I81 R97 | Y30-I34 HydrophobicContact CE1-CD1 4.27Å; L31-I34 HydrophobicContact CD2-CD1 4.06Å; L31-I34 PolarHBondContact O-N 2.87Å; R32-I34 VanDerWaalsContact C-N 3.29Å; I34-G36 VanDerWaalsContact C-N 3.32Å; I34-G36 PolarHBondContact O-N 2.74Å; I34-L37 HydrophobicContact CB-CD1 4.06Å; I34-L37 HydrophobicContact CB-CG 4.17Å; I34-L37 HydrophobicContact CD1-CD1 4.27Å; I34-L37 HydrophobicContact CG2-CD1 4.16Å; I34-L37 HydrophobicContact CG2-CG 3.91Å; I34-L37 PolarHBondContact O-N 3.3Å; I34-L37 VanDerWaalsContact O-N 3.1Å; I34-N38 PolarHBondContact O-ND2 2.88Å; I34-I81 HydrophobicContact CD1-CG2 3.79Å; I34-R97 HydrophobicContact CG1-CB 4.32Å; I34-R97 HydrophobicContact CG2-CB 4.29Å; I34-R97 WeakPolarHBondContact CG2-O 3.09Å | ||
| 35 | E | 57.1 | Low | 58.6 | Low | 77 Ų | 77 | 59.3 Ų | 59.3 | 36% | 0.36 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -48.9 | -48.1 | -179 | -77.2 | -155.1 | 82.5 | 0 | 0 | 114.3 | T33 L37 N38 L39 A1629 | T33-E35 PolarHBondContact O-N 2.82Å; E35-L37 PolarHBondContact O-N 3.07Å; E35-N38 PolarHBondContact O-N 3.18Å; E35-L39 PolarHBondContact O-N 3.15Å; E35-A1629 VanDerWaalsContact CD-CB 3.43Å; E35-A1629 HydrophobicContact CG-CB 3.59Å; E35-A1629 WeakPolarHBondContact OE1-CA 3.07Å; E35-A1629 WeakPolarHBondContact OE2-CA 3.41Å; E35-A1629 PolarHBondContact OE2-N 3.29Å |
| 36 | G | 55.4 | Low | 57.3 | Low | 28 Ų | 28 | 59.6 Ų | 59.6 | 29% | 0.289 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -61.1 | -14.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I34 Y99 | I34-G36 VanDerWaalsContact C-N 3.32Å; I34-G36 PolarHBondContact O-N 2.74Å; G36-Y99 WeakPolarHBondContact O-CE1 3.3Å; G36-Y99 PolarHBondContact O-OH 3.11Å |
| 37 | L | 56.4 | Low | 56.3 | Low | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -95.4 | -5 | 175.7 | -55.8 | -176.8 | 0 | 0 | 0 | 113.5 | I34 E35 Y46 L51 W79 I81 Y99 | I34-L37 HydrophobicContact CB-CD1 4.06Å; I34-L37 HydrophobicContact CB-CG 4.17Å; I34-L37 HydrophobicContact CD1-CD1 4.27Å; I34-L37 HydrophobicContact CG2-CD1 4.16Å; I34-L37 HydrophobicContact CG2-CG 3.91Å; I34-L37 PolarHBondContact O-N 3.3Å; I34-L37 VanDerWaalsContact O-N 3.1Å; E35-L37 PolarHBondContact O-N 3.07Å; L37-Y46 HydrophobicContact CD2-CD2 4.26Å; L37-Y46 HydrophobicContact CD2-CE2 4.33Å; L37-L51 HydrophobicContact CB-CD2 4.06Å; L37-L51 HydrophobicContact CD1-CD2 3.9Å; L37-L51 HydrophobicContact CG-CD2 4.5Å; L37-W79 HydrophobicContact CD1-CH2 4.45Å; L37-W79 HydrophobicContact CD2-CH2 3.77Å; L37-W79 HydrophobicContact CD2-CZ2 3.75Å; L37-I81 HydrophobicContact CD1-CD1 4.26Å; L37-Y99 HydrophobicContact CD2-CD1 3.66Å; L37-Y99 HydrophobicContact CD2-CE1 3.9Å; L37-Y99 HydrophobicContact CD2-CG 4.13Å; L37-Y99 HydrophobicContact CG-CD1 4.5Å |
| 38 | N | 48.1 | Very low | 55.4 | Low | 56 Ų | 56 | 65.2 Ų | 65.2 | 30% | 0.299 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.8 | 4.9 | -167.1 | -66.7 | -84.2 | 0 | 0 | 0 | 114.7 | R32 I34 E35 S40 | R32-N38 PolarHBondContact O-ND2 3.31Å; I34-N38 PolarHBondContact O-ND2 2.88Å; E35-N38 PolarHBondContact O-N 3.18Å; N38-S40 PolarHBondContact O-N 3.49Å |
| 39 | L | 38.9 | Very low | 54.5 | Low | 100 Ų | 100 | 69.6 Ų | 69.6 | 52% | 0.524 | 40% | 0.399 | S | S | . | . | trans | -57 | 120.1 | -176.7 | -77.1 | 167.6 | 0 | 0 | 0 | 113 | E35 G41 S44 | E35-L39 PolarHBondContact O-N 3.15Å; L39-G41 VanDerWaalsContact C-N 3.31Å; L39-G41 PolarHBondContact O-N 2.75Å; L39-S44 VanDerWaalsContact O-O 3.11Å; L39-S44 PolarHBondContact O-OG 3.11Å | ||
| 40 | S | 34 | Very low | 53.9 | Low | 112 Ų | 112 | 68.9 Ų | 68.9 | 78% | 0.783 | 39% | 0.387 | S | S | * | . | trans | -78.9 | 71.4 | -175.5 | 62.1 | 0 | 0 | 0 | 0 | 113.2 | N38 | N38-S40 PolarHBondContact O-N 3.49Š| ||
| 41 | G | 38.2 | Very low | 53.7 | Low | 21 Ų | 21 | 68.1 Ų | 68.1 | 22% | 0.216 | 38% | 0.384 | C | S | . | . | trans | -113.4 | 151.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112 | L39 S43 S44 | L39-G41 VanDerWaalsContact C-N 3.31Å; L39-G41 PolarHBondContact O-N 2.75Å; G41-S43 PolarHBondContact O-N 3.27Å; G41-S44 PolarHBondContact O-N 2.9Å | ||
| 42 | P | 34.7 | Very low | 53.7 | Low | 145 Ų | 145 | 73.2 Ų | 73.2 | 94% | 0.942 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -10.9 | -174 | 26.6 | -35 | 0 | 0 | 0 | 114.9 | ||
| 43 | S | 35.2 | Very low | 53.6 | Low | 120 Ų | 120 | 67.7 Ų | 67.7 | 84% | 0.839 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.8 | 4.9 | 178.8 | 54 | 0 | 0 | 0 | 0 | 114.4 | G41 | G41-S43 PolarHBondContact O-N 3.27Š|
| 44 | S | 36 | Very low | 53.9 | Low | 63 Ų | 63 | 64.3 Ų | 64.3 | 44% | 0.441 | 36% | 0.363 | S | S | . | . | trans | -129 | 40.9 | -167.7 | 69.3 | 0 | 0 | 0 | 0 | 114.4 | L39 G41 | L39-S44 VanDerWaalsContact O-O 3.11Å; L39-S44 PolarHBondContact O-OG 3.11Å; G41-S44 PolarHBondContact O-N 2.9Å | ||
| 45 | T | 44.4 | Very low | 54.5 | Low | 79 Ų | 79 | 64.2 Ų | 64.2 | 49% | 0.485 | 36% | 0.363 | S | S | . | . | trans | -116.6 | 112.6 | -177.2 | 45.6 | 0 | 0 | 0 | 0 | 112.7 | R47 | T45-R47 PolarHBondContact O-N 3.06Š| ||
| 46 | Y | 52.3 | Low | 55.4 | Low | 62 Ų | 62 | 67 Ų | 67 | 24% | 0.243 | 37% | 0.37 | C | S | . | . | trans | -67.3 | 122.8 | 153.2 | -85.8 | -64.9 | 0 | 0 | 0 | 107.9 | L37 E50 I54 W79 | L37-Y46 HydrophobicContact CD2-CD2 4.26Å; L37-Y46 HydrophobicContact CD2-CE2 4.33Å; Y46-E50 HydrophobicContact CD1-CB 3.93Å; Y46-I54 HydrophobicContact CE1-CD1 4.42Å; Y46-W79 HydrophobicContact CE2-CH2 4.23Å; Y46-W79 HydrophobicContact CE2-CZ2 4.48Å | ||
| 47 | R | 55.2 | Low | 56.4 | Low | 158 Ų | 158 | 68.6 Ų | 68.6 | 60% | 0.596 | 37% | 0.367 | S | S | * | . | trans | -72.1 | 154.2 | 176.7 | -67 | -179.9 | 168.8 | -172.8 | -3.3 | 110.1 | T45 N49 E50 L51 | T45-R47 PolarHBondContact O-N 3.06Å; R47-N49 PolarHBondContact O-N 2.74Å; R47-E50 PolarHBondContact N-OE2 2.69Å; R47-E50 WeakPolarHBondContact O-CB 3.09Å; R47-E50 PolarHBondContact O-N 3.26Å; R47-L51 PolarHBondContact O-N 3.32Å | ||
| 48 | D | 63.1 | Low | 57.6 | Low | 64 Ų | 64 | 68.5 Ų | 68.5 | 34% | 0.342 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -50.6 | -26.2 | 173.3 | -100.9 | -20.7 | 0 | 0 | 0 | 113.9 | F28 R32 R52 | F28-D48 WeakPolarHBondContact CE2-O 3.44Å; F28-D48 HydrophobicContact CZ-CB 4.36Å; F28-D48 VanDerWaalsContact CZ-OD1 3.29Å; F28-D48 WeakPolarHBondContact CZ-OD1 3.42Å; R32-D48 IonicContact CZ-OD1 2.68Å; R32-D48 IonicContact CZ-OD2 3.36Å; R32-D48 IonicContact NE-OD1 3.91Å; R32-D48 IonicContact NH1-OD1 3.64Å; R32-D48 PolarHBondContact NH1-OD1 3.17Å; R32-D48 IonicContact NH1-OD2 3.34Å; R32-D48 PolarHBondContact NH1-OD2 2.99Å; R32-D48 IonicContact NH2-OD2 2.79Å; D48-R52 WeakPolarHBondContact O-CB 3.46Å; D48-R52 PolarHBondContact O-N 3.31Å |
| 49 | N | 64 | Low | 59.2 | Low | 114 Ų | 114 | 71.5 Ų | 71.5 | 61% | 0.61 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -77.2 | -29.4 | 176.3 | -68.9 | -26.4 | 0 | 0 | 0 | 113.4 | R47 A53 | R47-N49 PolarHBondContact O-N 2.74Å; N49-A53 PolarHBondContact O-N 2.89Å; N49-A53 VanDerWaalsContact O-N 3.1Å |
| 50 | E | 62.4 | Low | 61.4 | Low | 20 Ų | 20 | 69.7 Ų | 69.7 | 9% | 0.093 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -79.8 | -47.3 | -177.8 | -68.2 | 159.4 | 163.9 | 0 | 0 | 109.4 | Y46 R47 R52 A53 I54 F136 T139 | Y46-E50 HydrophobicContact CD1-CB 3.93Å; R47-E50 PolarHBondContact N-OE2 2.69Å; R47-E50 WeakPolarHBondContact O-CB 3.09Å; R47-E50 PolarHBondContact O-N 3.26Å; E50-R52 PolarHBondContact O-N 3.06Å; E50-A53 WeakPolarHBondContact O-CA 3.23Å; E50-A53 WeakPolarHBondContact O-CB 3.44Å; E50-A53 PolarHBondContact O-N 3.04Å; E50-I54 WeakPolarHBondContact O-CD1 3.47Å; E50-I54 WeakPolarHBondContact O-CG1 3.38Å; E50-I54 PolarHBondContact O-N 3.47Å; E50-F136 HydrophobicContact CB-CE1 4.23Å; E50-F136 HydrophobicContact CB-CZ 4.44Å; E50-F136 HydrophobicContact CG-CE1 3.72Å; E50-F136 HydrophobicContact CG-CZ 3.94Å; E50-T139 PolarHBondContact OE1-OG1 2.75Å |
| 51 | L | 70.7 | Confident | 63.9 | Low | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.2 | -31.6 | 169.3 | -65.2 | 178.6 | 0 | 0 | 0 | 112.9 | F28 L37 R47 I54 S55 | F28-L51 HydrophobicContact CD2-CB 4.05Å; F28-L51 HydrophobicContact CE2-CB 3.96Å; L37-L51 HydrophobicContact CB-CD2 4.06Å; L37-L51 HydrophobicContact CD1-CD2 3.9Å; L37-L51 HydrophobicContact CG-CD2 4.5Å; R47-L51 PolarHBondContact O-N 3.32Å; L51-I54 HydrophobicContact CD2-CD1 4.09Å; L51-S55 WeakPolarHBondContact O-CB 3.42Å; L51-S55 PolarHBondContact O-N 2.94Å |
| 52 | R | 74.8 | Confident | 66.1 | Low | 106 Ų | 106 | 74.3 Ų | 74.3 | 40% | 0.4 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -80.8 | -14.2 | 175.3 | -166.9 | 176.4 | -60.7 | 163.8 | 6.6 | 114.1 | F28 D48 E50 S55 R56 | F28-R52 HydrophobicContact CD2-CB 3.78Å; F28-R52 HydrophobicContact CD2-CG 4.39Å; F28-R52 HydrophobicContact CE2-CB 3.99Å; F28-R52 HydrophobicContact CG-CB 4.48Å; F28-R52 VanDerWaalsContact CZ-NH2 3.31Å; D48-R52 WeakPolarHBondContact O-CB 3.46Å; D48-R52 PolarHBondContact O-N 3.31Å; E50-R52 PolarHBondContact O-N 3.06Å; R52-S55 PolarHBondContact O-OG 3.32Å; R52-R56 WeakPolarHBondContact O-CD 2.97Å; R52-R56 WeakPolarHBondContact O-CG 3.4Å; R52-R56 PolarHBondContact O-NE 2.94Å |
| 53 | A | 70.5 | Confident | 68.5 | Low | 9 Ų | 9 | 67.5 Ų | 67.5 | 7% | 0.074 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -82.2 | -46.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | N49 E50 S55 R56 Y57 L132 F136 | N49-A53 PolarHBondContact O-N 2.89Å; N49-A53 VanDerWaalsContact O-N 3.1Å; E50-A53 WeakPolarHBondContact O-CA 3.23Å; E50-A53 WeakPolarHBondContact O-CB 3.44Å; E50-A53 PolarHBondContact O-N 3.04Å; A53-S55 VanDerWaalsContact C-N 3.32Å; A53-S55 PolarHBondContact O-N 2.97Å; A53-R56 WeakPolarHBondContact O-CB 3.41Å; A53-R56 PolarHBondContact O-N 2.86Å; A53-R56 VanDerWaalsContact O-N 3.12Å; A53-Y57 WeakPolarHBondContact O-CD2 3.1Å; A53-L132 HydrophobicContact CB-CD2 3.92Å; A53-F136 HydrophobicContact CB-CE1 4.03Å; A53-F136 HydrophobicContact CB-CE2 4.17Å; A53-F136 HydrophobicContact CB-CZ 3.41Å; A53-F136 VanDerWaalsContact CB-CZ 3.41Å |
| 54 | I | 74.2 | Confident | 70.6 | Confident | 12 Ų | 12 | 65.5 Ų | 65.5 | 6% | 0.062 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -53.3 | -48.7 | 174.3 | -65.6 | 152.3 | 0 | 0 | 0 | 110.2 | L31 Y46 E50 L51 R56 Y57 A58 W79 D125 | L31-I54 HydrophobicContact CD1-CG2 3.96Å; Y46-I54 HydrophobicContact CE1-CD1 4.42Å; E50-I54 WeakPolarHBondContact O-CD1 3.47Å; E50-I54 WeakPolarHBondContact O-CG1 3.38Å; E50-I54 PolarHBondContact O-N 3.47Å; L51-I54 HydrophobicContact CD2-CD1 4.09Å; I54-R56 PolarHBondContact O-N 3.1Å; I54-Y57 PolarHBondContact O-N 2.87Å; I54-Y57 VanDerWaalsContact O-N 3.09Å; I54-A58 HydrophobicContact CG2-CB 4.37Å; I54-A58 WeakPolarHBondContact O-CB 3.34Å; I54-A58 PolarHBondContact O-N 3.45Å; I54-W79 HydrophobicContact CD1-CH2 4.21Å; I54-W79 HydrophobicContact CD1-CZ3 3.58Å; I54-W79 HydrophobicContact CG1-CZ3 4.01Å; I54-W79 HydrophobicContact CG2-CZ3 4.02Å; I54-D125 HydrophobicContact CG2-CB 4.5Å |
| 55 | S | 77.9 | Confident | 72.6 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.007 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.4 | -24.7 | -178.3 | 77.1 | 0 | 0 | 0 | 0 | 114.9 | R19 N24 L51 R52 A53 | R19-S55 PolarHBondContact NH1-O 3.06Å; R19-S55 VanDerWaalsContact NH1-O 3.15Å; N24-S55 PolarHBondContact O-OG 2.75Å; N24-S55 PolarHBondContact OD1-O 3.02Å; L51-S55 WeakPolarHBondContact O-CB 3.42Å; L51-S55 PolarHBondContact O-N 2.94Å; R52-S55 PolarHBondContact O-OG 3.32Å; A53-S55 VanDerWaalsContact C-N 3.32Å; A53-S55 PolarHBondContact O-N 2.97Å |
| 56 | R | 76.2 | Confident | 74.2 | Confident | 136 Ų | 136 | 66.7 Ų | 66.7 | 51% | 0.513 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -77.9 | -35 | 178.4 | -66.2 | 169.1 | 176.1 | 178.8 | -2.3 | 113.2 | P16 R52 A53 I54 | P16-R56 WeakPolarHBondContact CB-O 3.46Å; R52-R56 WeakPolarHBondContact O-CD 2.97Å; R52-R56 WeakPolarHBondContact O-CG 3.4Å; R52-R56 PolarHBondContact O-NE 2.94Å; A53-R56 WeakPolarHBondContact O-CB 3.41Å; A53-R56 PolarHBondContact O-N 2.86Å; A53-R56 VanDerWaalsContact O-N 3.12Å; I54-R56 PolarHBondContact O-N 3.1Å |
| 57 | Y | 77 | Confident | 75.6 | Confident | 60 Ų | 60 | 67.2 Ų | 67.2 | 24% | 0.235 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -109.6 | -24.1 | -170.6 | -61.3 | -67 | 0 | 0 | 0 | 114 | P16 A53 I54 R59 S131 L132 | P16-Y57 WeakPolarHBondContact CG-O 3.16Å; A53-Y57 WeakPolarHBondContact O-CD2 3.1Å; I54-Y57 PolarHBondContact O-N 2.87Å; I54-Y57 VanDerWaalsContact O-N 3.09Å; Y57-R59 WeakPolarHBondContact O-CG 3.45Å; Y57-S131 PolarHBondContact OH-OG 2.99Å; Y57-L132 HydrophobicContact CE2-CD2 3.94Å |
| 58 | A | 81.7 | Confident | 76.8 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -45.5 | 134.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L12 R19 I54 V123 I124 | L12-A58 HydrophobicContact CD2-CB 4.04Å; R19-A58 VanDerWaalsContact CZ-O 3.23Å; R19-A58 PolarHBondContact NH1-O 3.2Å; R19-A58 PolarHBondContact NH2-O 3.5Å; I54-A58 HydrophobicContact CG2-CB 4.37Å; I54-A58 WeakPolarHBondContact O-CB 3.34Å; I54-A58 PolarHBondContact O-N 3.45Å; A58-V123 HydrophobicContact CB-CG1 3.6Å; A58-I124 CarbonylContact C-O 2.78Å; A58-I124 WeakPolarHBondContact CA-O 3.49Å | ||
| 59 | R | 81.2 | Confident | 77.8 | Confident | 120 Ų | 120 | 60.5 Ų | 60.5 | 45% | 0.453 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 149.1 | -179.6 | -54 | -175.7 | -174.5 | 179 | 2.3 | 110.6 | P16 Y57 V123 I124 | P16-R59 HydrophobicContact CG-CG 4.08Å; Y57-R59 WeakPolarHBondContact O-CG 3.45Å; R59-V123 CarbonylContact O-C 3.33Å; R59-V123 WeakPolarHBondContact O-CA 3.27Å; R59-I124 PolarHBondContact N-O 2.96Å; R59-I124 PolarHBondContact O-N 3.36Å |
| 60 | Y | 86.5 | Confident | 78.8 | Confident | 62 Ų | 62 | 56 Ų | 56 | 24% | 0.243 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 141.6 | 169.1 | 174.7 | -105.4 | 0 | 0 | 0 | 112 | I9 L12 R62 I83 D121 L122 | I9-Y60 HydrophobicContact CB-CD2 4.43Å; I9-Y60 HydrophobicContact CB-CE2 4.17Å; I9-Y60 HydrophobicContact CD1-CE2 4.19Å; I9-Y60 HydrophobicContact CG1-CD2 4.12Å; I9-Y60 HydrophobicContact CG1-CE2 3.73Å; I9-Y60 HydrophobicContact CG2-CD1 4.4Å; I9-Y60 HydrophobicContact CG2-CD2 3.94Å; I9-Y60 HydrophobicContact CG2-CE1 4.01Å; I9-Y60 HydrophobicContact CG2-CE2 3.5Å; I9-Y60 VanDerWaalsContact CG2-CE2 3.5Å; I9-Y60 HydrophobicContact CG2-CG 4.34Å; L12-Y60 PolarHBondContact O-N 3.24Å; Y60-R62 HydrophobicContact CE1-CB 4.18Å; Y60-I83 HydrophobicContact CD2-CD1 4.02Å; Y60-I83 HydrophobicContact CE2-CD1 4.32Å; Y60-D121 HydrophobicContact CE2-CB 3.75Å; Y60-D121 VanDerWaalsContact CE2-CG 3.5Å; Y60-D121 VanDerWaalsContact CE2-OD2 3.23Å; Y60-D121 WeakPolarHBondContact CE2-OD2 3.08Å; Y60-D121 VanDerWaalsContact CZ-OD2 3.31Å; Y60-D121 PolarHBondContact OH-OD1 3.35Å; Y60-D121 PolarHBondContact OH-OD2 3.43Å; Y60-L122 CarbonylContact C-O 3.05Å; Y60-L122 WeakPolarHBondContact CA-O 3.44Å |
| 61 | R | 84.7 | Confident | 79.6 | Confident | 102 Ų | 102 | 59.8 Ų | 59.8 | 39% | 0.385 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 121.9 | 162.7 | -179.5 | -179.2 | -65.1 | 153.3 | 7.4 | 109.7 | V63 L122 I124 Y126 | R61-V63 HydrophobicContact CG-CG2 3.83Å; R61-L122 PolarHBondContact N-O 2.92Å; R61-L122 PolarHBondContact O-N 2.88Å; R61-I124 HydrophobicContact CB-CD1 3.53Å; R61-I124 HydrophobicContact CB-CG1 4.22Å; R61-I124 HydrophobicContact CG-CD1 4.21Å; R61-Y126 PolarHBondContact NH2-OH 2.78Å |
| 62 | R | 86.2 | Confident | 79.8 | Confident | 127 Ų | 127 | 62.2 Ų | 62.2 | 48% | 0.479 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 137 | 160.3 | -173.3 | 160.1 | -172.3 | 104.6 | -2.9 | 109.8 | Y60 S120 D121 | Y60-R62 HydrophobicContact CE1-CB 4.18Å; R62-S120 CarbonylContact C-O 3.57Å; R62-S120 WeakPolarHBondContact CA-O 3.48Å; R62-D121 WeakPolarHBondContact CB-OD1 3.46Å; R62-D121 WeakPolarHBondContact CD-OD1 3.42Å; R62-D121 WeakPolarHBondContact CG-OD1 3.47Å; R62-D121 IonicContact CZ-OD1 3.67Å; R62-D121 IonicContact NE-OD1 3.46Å; R62-D121 VanDerWaalsContact NH1-CG 3.28Å; R62-D121 IonicContact NH1-OD1 3.76Å; R62-D121 PolarHBondContact NH1-OD1 3.23Å; R62-D121 IonicContact NH1-OD2 2.76Å; R62-D121 PolarHBondContact NH1-OD2 3.38Å |
| 63 | V | 84.6 | Confident | 79.4 | Confident | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 132.6 | -178.6 | -172.6 | 0 | 0 | 0 | 0 | 108.1 | R61 M67 L69 V116 P119 S120 L122 | R61-V63 HydrophobicContact CG-CG2 3.83Å; V63-M67 HydrophobicContact CG1-CB 4.24Å; V63-M67 HydrophobicContact CG1-CE 3.44Å; V63-M67 VanDerWaalsContact CG1-CE 3.44Å; V63-M67 HydrophobicContact CG1-SD 3.74Å; V63-L69 HydrophobicContact CG2-CD1 4.15Å; V63-V116 HydrophobicContact CB-CG1 4.49Å; V63-V116 HydrophobicContact CB-CG2 4.4Å; V63-V116 HydrophobicContact CG1-CB 4.33Å; V63-V116 HydrophobicContact CG1-CG1 4.37Å; V63-V116 HydrophobicContact CG1-CG2 3.85Å; V63-P119 CarbonylContact O-C 3.45Å; V63-P119 VanDerWaalsContact O-CA 3.31Å; V63-P119 WeakPolarHBondContact O-CA 3.34Å; V63-S120 PolarHBondContact N-O 3.47Å; V63-S120 PolarHBondContact O-N 2.96Å; V63-L122 HydrophobicContact CG2-CD1 3.68Å; V63-L122 HydrophobicContact CG2-CG 4.32Å |
| 64 | P | 78.2 | Confident | 79.6 | Confident | 78 Ų | 78 | 63.4 Ų | 63.4 | 51% | 0.506 | 31% | 0.313 | S | S | . | . | trans | -66.2 | 157.6 | 175.2 | 28.3 | -34.1 | 0 | 0 | 0 | 111.7 | M67 V116 | P64-M67 HydrophobicContact CG-CB 4.2Å; P64-M67 HydrophobicContact CG-SD 4.05Å; P64-M67 WeakPolarHBondContact O-CB 3.16Å; P64-V116 WeakPolarHBondContact O-CG1 3.47Å | ||
| 65 | G | 79.8 | Confident | 79.2 | Confident | 20 Ų | 20 | 70.7 Ų | 70.7 | 21% | 0.206 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 166.8 | 167 | 0 | 0 | 0 | 0 | 0 | 112 | M67 V116 | G65-M67 PolarHBondContact O-N 3.37Å; G65-M67 VanDerWaalsContact O-N 3.12Å; G65-V116 CarbonylContact C-O 3.56Å |
| 66 | D | 77.5 | Confident | 78.8 | Confident | 146 Ų | 146 | 71.1 Ų | 71.1 | 78% | 0.781 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 15.1 | -174.1 | -57.7 | -46.3 | 0 | 0 | 0 | 114.9 | V116 | D66-V116 PolarHBondContact N-O 3.18Š|
| 67 | M | 80.4 | Confident | 78.4 | Confident | 74 Ų | 74 | 67.7 Ų | 67.7 | 37% | 0.365 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 132 | -179.8 | -158.1 | -165.9 | 94.5 | 0 | 0 | 111.2 | V63 P64 G65 V116 | V63-M67 HydrophobicContact CG1-CB 4.24Å; V63-M67 HydrophobicContact CG1-CE 3.44Å; V63-M67 VanDerWaalsContact CG1-CE 3.44Å; V63-M67 HydrophobicContact CG1-SD 3.74Å; P64-M67 HydrophobicContact CG-CB 4.2Å; P64-M67 HydrophobicContact CG-SD 4.05Å; P64-M67 WeakPolarHBondContact O-CB 3.16Å; G65-M67 PolarHBondContact O-N 3.37Å; G65-M67 VanDerWaalsContact O-N 3.12Å; M67-V116 WeakPolarHBondContact O-CB 3.43Å; M67-V116 PolarHBondContact O-N 2.83Å |
| 68 | L | 81.6 | Confident | 78.3 | Confident | 56 Ų | 56 | 65 Ų | 65 | 29% | 0.293 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 126 | 165.7 | -146 | 80.4 | 0 | 0 | 0 | 109.8 | Y70 H71 D113 C114 L115 | L68-Y70 WeakPolarHBondContact CD2-O 3.45Å; L68-H71 HydrophobicContact CD2-CB 4.34Å; L68-H71 WeakPolarHBondContact CD2-CE1 3.25Å; L68-H71 WeakPolarHBondContact CD2-ND1 3.25Å; L68-D113 HydrophobicContact CD1-CB 4.19Å; L68-D113 HydrophobicContact CD2-CB 4.27Å; L68-C114 CarbonylContact C-O 3.51Å; L68-C114 WeakPolarHBondContact CA-O 3.27Å; L68-C114 WeakPolarHBondContact CD1-O 3.37Å; L68-C114 WeakPolarHBondContact CG-O 3.28Å; L68-L115 HydrophobicContact CD1-CB 3.93Å; L68-L115 HydrophobicContact CD1-CD1 4.24Å |
| 69 | L | 83.8 | Confident | 78.1 | Confident | 24 Ų | 24 | 65.4 Ų | 65.4 | 13% | 0.126 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | -34.3 | -178.7 | -179.6 | 62.4 | 0 | 0 | 0 | 112.5 | V63 F80 F100 C114 V116 L122 | V63-L69 HydrophobicContact CG2-CD1 4.15Å; L69-F80 HydrophobicContact CD1-CE1 3.97Å; L69-F80 HydrophobicContact CD1-CZ 4.28Å; L69-F80 HydrophobicContact CD2-CD1 3.97Å; L69-F80 HydrophobicContact CD2-CD2 4.44Å; L69-F80 HydrophobicContact CD2-CE1 3.88Å; L69-F80 HydrophobicContact CD2-CE2 4.35Å; L69-F80 HydrophobicContact CD2-CG 4.26Å; L69-F80 HydrophobicContact CD2-CZ 4.08Å; L69-F80 HydrophobicContact CG-CE1 4.09Å; L69-F80 HydrophobicContact CG-CZ 4.06Å; L69-F100 HydrophobicContact CD2-CE2 3.6Å; L69-F100 HydrophobicContact CD2-CZ 3.78Å; L69-C114 HydrophobicContact CB-CB 4.42Å; L69-C114 PolarHBondContact N-O 3.28Å; L69-V116 HydrophobicContact CB-CG2 4.02Å; L69-L122 HydrophobicContact CD1-CD1 3.89Å; L69-L122 HydrophobicContact CD2-CD1 3.52Å; L69-L122 HydrophobicContact CG-CD1 4.38Å |
| 70 | Y | 84.8 | Confident | 78.3 | Confident | 19 Ų | 19 | 59.9 Ų | 59.9 | 8% | 0.075 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 153.4 | 167.5 | 54.5 | -105.1 | 0 | 0 | 0 | 110.3 | L68 E74 F80 F100 R110 N112 C114 | L68-Y70 WeakPolarHBondContact CD2-O 3.45Å; Y70-E74 VanDerWaalsContact CA-OE2 3.22Å; Y70-E74 WeakPolarHBondContact CA-OE2 3.23Å; Y70-E74 WeakPolarHBondContact CB-OE2 3.15Å; Y70-F80 HydrophobicContact CD1-CD2 4.46Å; Y70-F80 AromaticContact CD1-CE2 3.65Å; Y70-F80 HydrophobicContact CD1-CE2 3.65Å; Y70-F80 HydrophobicContact CD1-CZ 4.18Å; Y70-F80 AromaticContact CE1-CD2 3.92Å; Y70-F80 HydrophobicContact CE1-CD2 3.92Å; Y70-F80 AromaticContact CE1-CE2 3.54Å; Y70-F80 HydrophobicContact CE1-CE2 3.54Å; Y70-F80 HydrophobicContact CE1-CZ 4.44Å; Y70-F100 HydrophobicContact CE1-CD2 4.15Å; Y70-F100 HydrophobicContact CE1-CE2 4.13Å; Y70-R110 HydrophobicContact CD2-CB 3.77Å; Y70-R110 HydrophobicContact CD2-CG 3.62Å; Y70-R110 HydrophobicContact CE2-CB 4.07Å; Y70-R110 HydrophobicContact CE2-CG 4.14Å; Y70-R110 HydrophobicContact CG-CG 3.96Å; Y70-N112 WeakPolarHBondContact CD2-O 3.27Å; Y70-N112 VanDerWaalsContact CE2-O 3.25Å; Y70-N112 WeakPolarHBondContact CE2-O 3.26Å; Y70-C114 HydrophobicContact CD1-CB 3.97Å; Y70-C114 HydrophobicContact CD2-CB 3.62Å; Y70-C114 HydrophobicContact CE1-CB 3.75Å; Y70-C114 HydrophobicContact CE2-CB 3.38Å; Y70-C114 HydrophobicContact CG-CB 3.92Å; Y70-C114 VanDerWaalsContact CZ-CB 3.45Å; Y70-C114 PolarHBondContact O-N 3.42Å |
| 71 | H | 79.7 | Confident | 78.1 | Confident | 101 Ų | 101 | 57.1 Ų | 57.1 | 47% | 0.468 | 30% | 0.295 | S | S | . | . | trans | -89.8 | 153.7 | 173.8 | -75.8 | -79 | 0 | 0 | 0 | 112.5 | L68 G73 E74 R110 D113 | L68-H71 HydrophobicContact CD2-CB 4.34Å; L68-H71 WeakPolarHBondContact CD2-CE1 3.25Å; L68-H71 WeakPolarHBondContact CD2-ND1 3.25Å; H71-G73 PolarHBondContact O-N 3.5Å; H71-E74 HydrophobicContact CB-CG 4Å; H71-E74 IonicContact CD2-OE1 3.81Å; H71-E74 PolarHBondContact N-OE2 2.87Å; H71-E74 PolarHBondContact O-N 3.31Å; H71-R110 VanDerWaalsContact O-CB 3.29Å; H71-R110 WeakPolarHBondContact O-CB 3.49Å; H71-D113 VanDerWaalsContact CA-OD1 3.27Å; H71-D113 WeakPolarHBondContact CA-OD1 3.2Å; H71-D113 IonicContact ND1-OD1 2.85Å | ||
| 72 | A | 75 | Confident | 77.9 | Confident | 50 Ų | 50 | 52.3 Ų | 52.3 | 41% | 0.413 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 126.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | R111 D113 | A72-R111 WeakPolarHBondContact CB-O 3.38Å; A72-D113 PolarHBondContact N-OD1 3.31Å |
| 73 | G | 66.6 | Low | 77.6 | Confident | 50 Ų | 50 | 46.5 Ų | 46.5 | 52% | 0.515 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | -0.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116 | H71 Y109 R110 | H71-G73 PolarHBondContact O-N 3.5Å; G73-Y109 VanDerWaalsContact O-CD1 3.3Å; G73-Y109 WeakPolarHBondContact O-CD1 3.32Å; G73-R110 PolarHBondContact N-O 3.29Å |
| 74 | E | 73.4 | Confident | 77.4 | Confident | 90 Ų | 90 | 47.3 Ų | 47.3 | 42% | 0.421 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -76.3 | 166.6 | 166.5 | -77.2 | -179.2 | 151 | 0 | 0 | 111.9 | Y70 H71 Y109 R110 | Y70-E74 VanDerWaalsContact CA-OE2 3.22Å; Y70-E74 WeakPolarHBondContact CA-OE2 3.23Å; Y70-E74 WeakPolarHBondContact CB-OE2 3.15Å; H71-E74 HydrophobicContact CB-CG 4Å; H71-E74 IonicContact CD2-OE1 3.81Å; H71-E74 PolarHBondContact N-OE2 2.87Å; H71-E74 PolarHBondContact O-N 3.31Å; E74-Y109 CarbonylContact O-C 3.49Å; E74-Y109 VanDerWaalsContact O-CA 3.22Å; E74-Y109 WeakPolarHBondContact O-CA 3.25Å; E74-R110 HydrophobicContact CB-CG 4.1Å; E74-R110 WeakPolarHBondContact O-CG 3.33Å; E74-R110 PolarHBondContact O-N 2.93Å |
| 75 | W | 66.9 | Low | 77.5 | Confident | 165 Ų | 165 | 44.1 Ų | 44.1 | 63% | 0.625 | 24% | 0.242 | S | C | * | . | B | Isolated β-bridge | trans | -77.6 | 142.9 | -179.2 | -75.1 | 53.1 | 0 | 0 | 0 | 112.2 | D77 F108 Y109 R110 | W75-D77 VanDerWaalsContact C-N 3.27Å; W75-D77 PolarHBondContact O-N 3.26Å; W75-F108 CarbonylContact C-O 3.45Å; W75-F108 WeakPolarHBondContact CA-O 3.31Å; W75-Y109 AromaticContact CD1-CD1 3.97Å; W75-Y109 AromaticContact CD1-CE1 3.47Å; W75-Y109 VanDerWaalsContact CD1-CE1 3.47Å; W75-Y109 HydrophobicContact CD2-CE1 4.49Å; W75-Y109 AromaticContact CE2-CE1 3.95Å; W75-Y109 HydrophobicContact CG-CE1 4.22Å; W75-Y109 AromaticContact NE1-CE1 3.28Å; W75-Y109 VanDerWaalsContact NE1-CE1 3.28Å; W75-Y109 AromaticContact NE1-CZ 3.74Å; W75-R110 PolarHBondContact O-NE 2.92Å |
| 76 | C | 68.8 | Low | 77.4 | Confident | 11 Ų | 11 | 43.5 Ų | 43.5 | 7% | 0.074 | 24% | 0.235 | C | C | . | . | trans | -77.5 | 73.8 | 171.1 | -74.1 | 0 | 0 | 0 | 0 | 110.9 | R103 F108 Y109 R110 | C76-R103 HydrophobicContact CB-CG 3.9Å; C76-R103 PolarHBondContact O-NE 3.25Å; C76-R103 PolarHBondContact O-NH2 3Å; C76-R103 VanDerWaalsContact O-NH2 3.11Å; C76-F108 PolarHBondContact N-O 3.11Å; C76-Y109 PolarHBondContact SG-O 2.97Å; C76-R110 PolarHBondContact SG-N 3.19Å | ||
| 77 | D | 69 | Low | 77.5 | Confident | 63 Ų | 63 | 36.6 Ų | 36.6 | 34% | 0.337 | 20% | 0.197 | S | C | . | . | trans | -80.4 | -26.3 | 177.6 | 74.4 | -39.4 | 0 | 0 | 0 | 113.7 | W75 R110 Y126 | W75-D77 VanDerWaalsContact C-N 3.27Å; W75-D77 PolarHBondContact O-N 3.26Å; D77-R110 IonicContact OD1-CZ 3.91Å; D77-R110 IonicContact OD1-NH2 3.96Å; D77-R110 PolarHBondContact OD1-NH2 3.41Å; D77-Y126 WeakPolarHBondContact OD2-CE1 3.27Å | ||
| 78 | S | 74.6 | Confident | 77.5 | Confident | 5 Ų | 5 | 35.8 Ų | 35.8 | 4% | 0.035 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 148.1 | -164.1 | 57.7 | 0 | 0 | 0 | 0 | 113.8 | F80 R110 D125 | S78-F80 WeakPolarHBondContact OG-CZ 3.26Å; S78-R110 VanDerWaalsContact O-CZ 3.29Å; S78-R110 PolarHBondContact O-NH1 3.47Å; S78-R110 PolarHBondContact O-NH2 3.37Å; S78-R110 PolarHBondContact OG-NH2 3.1Å; S78-D125 CarbonylContact C-O 3.57Å; S78-D125 WeakPolarHBondContact CA-O 3.37Å; S78-D125 WeakPolarHBondContact CB-O 3.43Å |
| 79 | W | 77.7 | Confident | 77.2 | Confident | 8 Ų | 8 | 33.8 Ų | 33.8 | 3% | 0.03 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 139.7 | 176.3 | 172.5 | 46.8 | 0 | 0 | 0 | 110.3 | L37 Y46 I54 I81 Y99 T102 I124 D125 L127 | L37-W79 HydrophobicContact CD1-CH2 4.45Å; L37-W79 HydrophobicContact CD2-CH2 3.77Å; L37-W79 HydrophobicContact CD2-CZ2 3.75Å; Y46-W79 HydrophobicContact CE2-CH2 4.23Å; Y46-W79 HydrophobicContact CE2-CZ2 4.48Å; I54-W79 HydrophobicContact CD1-CH2 4.21Å; I54-W79 HydrophobicContact CD1-CZ3 3.58Å; I54-W79 HydrophobicContact CG1-CZ3 4.01Å; I54-W79 HydrophobicContact CG2-CZ3 4.02Å; W79-I81 HydrophobicContact CH2-CD1 3.83Å; W79-I81 HydrophobicContact CH2-CG1 4.18Å; W79-I81 HydrophobicContact CZ2-CD1 4.16Å; W79-I81 HydrophobicContact CZ2-CG1 4Å; W79-I81 HydrophobicContact CZ3-CD1 4.11Å; W79-Y99 AromaticContact CZ2-CD2 3.9Å; W79-Y99 HydrophobicContact CZ2-CD2 3.9Å; W79-Y99 AromaticContact CZ2-CG 3.89Å; W79-Y99 HydrophobicContact CZ2-CG 3.89Å; W79-Y99 AromaticContact NE1-CD2 3.53Å; W79-Y99 AromaticContact NE1-CG 3.97Å; W79-T102 HydrophobicContact CD2-CG2 4.31Å; W79-T102 HydrophobicContact CG-CG2 4Å; W79-T102 VanDerWaalsContact NE1-CG2 3.29Å; W79-I124 WeakPolarHBondContact O-CA 3.17Å; W79-D125 HydrophobicContact CE3-CB 4.17Å; W79-D125 PolarHBondContact N-O 3.12Å; W79-D125 PolarHBondContact O-N 3.27Å; W79-L127 HydrophobicContact CB-CD1 3.94Å |
| 80 | F | 84.2 | Confident | 76.5 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.018 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 141.7 | -173.3 | -56.7 | -86.8 | 0 | 0 | 0 | 112.4 | L69 Y70 S78 Y99 F100 L122 V123 I124 | L69-F80 HydrophobicContact CD1-CE1 3.97Å; L69-F80 HydrophobicContact CD1-CZ 4.28Å; L69-F80 HydrophobicContact CD2-CD1 3.97Å; L69-F80 HydrophobicContact CD2-CD2 4.44Å; L69-F80 HydrophobicContact CD2-CE1 3.88Å; L69-F80 HydrophobicContact CD2-CE2 4.35Å; L69-F80 HydrophobicContact CD2-CG 4.26Å; L69-F80 HydrophobicContact CD2-CZ 4.08Å; L69-F80 HydrophobicContact CG-CE1 4.09Å; L69-F80 HydrophobicContact CG-CZ 4.06Å; Y70-F80 HydrophobicContact CD1-CD2 4.46Å; Y70-F80 AromaticContact CD1-CE2 3.65Å; Y70-F80 HydrophobicContact CD1-CE2 3.65Å; Y70-F80 HydrophobicContact CD1-CZ 4.18Å; Y70-F80 AromaticContact CE1-CD2 3.92Å; Y70-F80 HydrophobicContact CE1-CD2 3.92Å; Y70-F80 AromaticContact CE1-CE2 3.54Å; Y70-F80 HydrophobicContact CE1-CE2 3.54Å; Y70-F80 HydrophobicContact CE1-CZ 4.44Å; S78-F80 WeakPolarHBondContact OG-CZ 3.26Å; F80-Y99 CarbonylContact O-C 3.5Å; F80-Y99 WeakPolarHBondContact O-CA 3.4Å; F80-Y99 WeakPolarHBondContact O-CB 3.2Å; F80-F100 HydrophobicContact CB-CD1 4.43Å; F80-F100 HydrophobicContact CB-CD2 3.78Å; F80-F100 HydrophobicContact CB-CE1 4.12Å; F80-F100 HydrophobicContact CB-CE2 3.4Å; F80-F100 VanDerWaalsContact CB-CE2 3.4Å; F80-F100 HydrophobicContact CB-CG 4.28Å; F80-F100 HydrophobicContact CB-CZ 3.59Å; F80-F100 HydrophobicContact CD1-CE2 4.41Å; F80-F100 AromaticContact CD2-CD2 3.86Å; F80-F100 HydrophobicContact CD2-CD2 3.86Å; F80-F100 AromaticContact CD2-CE2 3.57Å; F80-F100 HydrophobicContact CD2-CE2 3.57Å; F80-F100 HydrophobicContact CE2-CE2 4.45Å; F80-F100 HydrophobicContact CG-CD2 4.12Å; F80-F100 AromaticContact CG-CE2 3.55Å; F80-F100 HydrophobicContact CG-CE2 3.55Å; F80-F100 HydrophobicContact CG-CZ 4.05Å; F80-F100 PolarHBondContact N-O 3.3Å; F80-F100 PolarHBondContact O-N 3.3Å; F80-L122 HydrophobicContact CD1-CB 4.48Å; F80-L122 HydrophobicContact CD1-CD1 3.83Å; F80-L122 HydrophobicContact CE1-CD1 4.3Å; F80-V123 CarbonylContact C-O 3.58Å; F80-V123 WeakPolarHBondContact CA-O 3.21Å; F80-I124 HydrophobicContact CD1-CD1 4.14Å; F80-I124 HydrophobicContact CD1-CG1 3.81Å; F80-I124 HydrophobicContact CD1-CG2 4.43Å; F80-I124 HydrophobicContact CE1-CD1 3.76Å; F80-I124 HydrophobicContact CE1-CG1 3.92Å; F80-I124 HydrophobicContact CE1-CG2 4.2Å |
| 81 | I | 82.4 | Confident | 75.2 | Confident | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 124.7 | 168.1 | -45.1 | 172 | 0 | 0 | 0 | 107.9 | L31 I34 L37 W79 L122 V123 | L31-I81 HydrophobicContact CD2-CD1 3.69Å; I34-I81 HydrophobicContact CD1-CG2 3.79Å; L37-I81 HydrophobicContact CD1-CD1 4.26Å; W79-I81 HydrophobicContact CH2-CD1 3.83Å; W79-I81 HydrophobicContact CH2-CG1 4.18Å; W79-I81 HydrophobicContact CZ2-CD1 4.16Å; W79-I81 HydrophobicContact CZ2-CG1 4Å; W79-I81 HydrophobicContact CZ3-CD1 4.11Å; I81-L122 CarbonylContact O-C 3.43Å; I81-L122 WeakPolarHBondContact O-CA 3.35Å; I81-V123 HydrophobicContact CB-CB 3.93Å; I81-V123 HydrophobicContact CB-CG2 4.02Å; I81-V123 HydrophobicContact CD1-CB 4.4Å; I81-V123 HydrophobicContact CG1-CB 4.35Å; I81-V123 PolarHBondContact N-O 3.03Å; I81-V123 PolarHBondContact O-N 3.09Å |
| 82 | L | 81 | Confident | 73.8 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 112.6 | -174.5 | -175.5 | 53.4 | 0 | 0 | 0 | 110.2 | S84 V87 F94 R97 S98 F100 L122 | L82-S84 VanDerWaalsContact CD1-O 3.23Å; L82-S84 WeakPolarHBondContact CD1-O 3.46Å; L82-V87 HydrophobicContact CD1-CG2 4.12Å; L82-V87 HydrophobicContact CD2-CB 4.44Å; L82-V87 HydrophobicContact CD2-CG2 4.03Å; L82-F94 HydrophobicContact CD2-CB 4.33Å; L82-F94 WeakPolarHBondContact CD2-O 3.43Å; L82-R97 WeakPolarHBondContact O-CA 3.03Å; L82-R97 PolarHBondContact O-N 3.09Å; L82-S98 PolarHBondContact N-O 2.76Å; L82-F100 HydrophobicContact CB-CE1 4.29Å; L82-L122 HydrophobicContact CB-CD2 4.36Å; L82-L122 HydrophobicContact CD1-CD2 3.61Å |
| 83 | I | 80.2 | Confident | 73.6 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -46.6 | 178.4 | -46.7 | 176.4 | 0 | 0 | 0 | 110.2 | D5 F8 I9 L12 Y60 D121 V123 | D5-I83 HydrophobicContact CB-CG2 4.44Å; F8-I83 HydrophobicContact CD1-CD1 4.18Å; F8-I83 HydrophobicContact CE1-CD1 3.89Å; F8-I83 HydrophobicContact CE1-CG1 4.25Å; I9-I83 HydrophobicContact CD1-CG2 4.25Å; I9-I83 HydrophobicContact CG1-CD1 3.98Å; I9-I83 HydrophobicContact CG1-CG2 4.4Å; L12-I83 HydrophobicContact CD1-CD1 4.15Å; Y60-I83 HydrophobicContact CD2-CD1 4.02Å; Y60-I83 HydrophobicContact CE2-CD1 4.32Å; I83-D121 HydrophobicContact CB-CB 4.01Å; I83-D121 WeakPolarHBondContact CB-O 3.47Å; I83-D121 HydrophobicContact CD1-CB 4.44Å; I83-D121 PolarHBondContact N-O 3.05Å; I83-V123 HydrophobicContact CD1-CG2 3.77Å; I83-V123 HydrophobicContact CG1-CG2 3.67Å |
| 84 | S | 79.2 | Confident | 73.8 | Confident | 20 Ų | 20 | 39.7 Ų | 39.7 | 14% | 0.14 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 157.5 | 176.6 | 74.7 | 0 | 0 | 0 | 0 | 111.1 | M1 L82 S120 D121 | M1-S84 WeakPolarHBondContact CE-OG 3.27Å; L82-S84 VanDerWaalsContact CD1-O 3.23Å; L82-S84 WeakPolarHBondContact CD1-O 3.46Å; S84-S120 CarbonylContact O-C 3.47Å; S84-S120 WeakPolarHBondContact O-CA 3.36Å; S84-S120 WeakPolarHBondContact O-CB 3.49Å; S84-D121 PolarHBondContact N-O 3.45Å; S84-D121 PolarHBondContact O-N 3.44Å; S84-D121 WeakPolarHBondContact OG-CB 3.46Å |
| 85 | G | 80.3 | Confident | 73.8 | Confident | 10 Ų | 10 | 36.6 Ų | 36.6 | 10% | 0.103 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 87 | -168.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P96 E118 S120 | G85-P96 VanDerWaalsContact O-CD 3.26Å; G85-P96 WeakPolarHBondContact O-CD 3.42Å; G85-P96 WeakPolarHBondContact O-CG 3.35Å; G85-E118 VanDerWaalsContact C-OE1 3.32Å; G85-E118 WeakPolarHBondContact CA-OE1 3.4Å; G85-S120 WeakPolarHBondContact CA-OG 3.44Å |
| 86 | S | 79.2 | Confident | 74 | Confident | 8 Ų | 8 | 29.3 Ų | 29.3 | 6% | 0.056 | 17% | 0.165 | C | C | . | . | trans | -142.1 | 146.2 | -171.9 | 53.2 | 0 | 0 | 0 | 0 | 112.5 | F94 L117 E118 S120 | S86-F94 WeakPolarHBondContact CA-O 3.42Å; S86-L117 PolarHBondContact O-N 3.31Å; S86-E118 VanDerWaalsContact CB-OE1 3.28Å; S86-E118 WeakPolarHBondContact CB-OE1 3.48Å; S86-E118 PolarHBondContact N-OE1 2.94Å; S86-E118 VanDerWaalsContact N-OE1 3.13Å; S86-E118 PolarHBondContact OG-OE1 3.44Å; S86-S120 PolarHBondContact N-OG 2.77Å; S86-S120 VanDerWaalsContact N-OG 3.14Å; S86-S120 PolarHBondContact O-OG 2.82Å | ||
| 87 | V | 79.8 | Confident | 73.8 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 129.5 | -172.7 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | L82 I89 M93 F94 F100 C114 L115 V116 | L82-V87 HydrophobicContact CD1-CG2 4.12Å; L82-V87 HydrophobicContact CD2-CB 4.44Å; L82-V87 HydrophobicContact CD2-CG2 4.03Å; V87-I89 HydrophobicContact CG1-CD1 4.44Å; V87-I89 HydrophobicContact CG1-CG1 4.15Å; V87-M93 CarbonylContact O-C 3.41Å; V87-M93 WeakPolarHBondContact O-CA 3.39Å; V87-F94 HydrophobicContact CB-CB 4.33Å; V87-F94 PolarHBondContact N-O 3.45Å; V87-F94 WeakPolarHBondContact O-CB 3.29Å; V87-F94 PolarHBondContact O-N 2.9Å; V87-F100 HydrophobicContact CB-CE1 4.24Å; V87-F100 HydrophobicContact CB-CZ 4.37Å; V87-F100 HydrophobicContact CG1-CE1 4.29Å; V87-F100 HydrophobicContact CG1-CE2 4.5Å; V87-F100 HydrophobicContact CG1-CZ 4.04Å; V87-F100 HydrophobicContact CG2-CE1 4.14Å; V87-F100 HydrophobicContact CG2-CZ 4.13Å; V87-C114 WeakPolarHBondContact CG1-SG 3.12Å; V87-L115 CarbonylContact C-O 3.57Å; V87-L115 WeakPolarHBondContact CA-O 3.45Å; V87-V116 HydrophobicContact CG2-CG2 4.23Å |
| 88 | L | 79 | Confident | 73.7 | Confident | 58 Ų | 58 | 28.2 Ų | 28.2 | 30% | 0.304 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 125.9 | 178.3 | -168.9 | 70.6 | 0 | 0 | 0 | 110.3 | M93 L115 L117 | L88-M93 HydrophobicContact CD1-CB 4.4Å; L88-L115 HydrophobicContact CB-CB 4.43Å; L88-L115 PolarHBondContact N-O 2.78Å; L88-L115 PolarHBondContact O-N 2.86Å; L88-L117 HydrophobicContact CB-CD1 4.14Å; L88-L117 HydrophobicContact CB-CD2 3.96Å; L88-L117 HydrophobicContact CB-CG 4.07Å; L88-L117 HydrophobicContact CD2-CD2 4.44Å |
| 89 | I | 76.8 | Confident | 73.8 | Confident | 14 Ų | 14 | 32 Ų | 32 | 7% | 0.072 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 120.7 | 174.8 | -50.5 | 177.4 | 0 | 0 | 0 | 107.2 | V87 S91 S92 F94 F100 N112 C114 | V87-I89 HydrophobicContact CG1-CD1 4.44Å; V87-I89 HydrophobicContact CG1-CG1 4.15Å; I89-S91 VanDerWaalsContact C-N 3.34Å; I89-S91 PolarHBondContact O-N 3.09Å; I89-S92 PolarHBondContact N-O 2.91Å; I89-S92 WeakPolarHBondContact O-CA 3.47Å; I89-S92 WeakPolarHBondContact O-CB 3.22Å; I89-S92 PolarHBondContact O-N 3.27Å; I89-F94 HydrophobicContact CB-CD2 4.09Å; I89-F94 HydrophobicContact CB-CE2 3.86Å; I89-F94 HydrophobicContact CD1-CD2 3.83Å; I89-F94 HydrophobicContact CD1-CE2 3.9Å; I89-F94 HydrophobicContact CD1-CG 4.36Å; I89-F94 HydrophobicContact CD1-CZ 4.43Å; I89-F94 HydrophobicContact CG1-CD2 3.94Å; I89-F94 HydrophobicContact CG1-CE2 4.11Å; I89-F100 HydrophobicContact CD1-CB 3.75Å; I89-F100 HydrophobicContact CD1-CD1 4.39Å; I89-F100 HydrophobicContact CD1-CD2 3.69Å; I89-F100 HydrophobicContact CD1-CE2 4.39Å; I89-F100 HydrophobicContact CD1-CG 3.7Å; I89-N112 HydrophobicContact CG2-CB 3.57Å; I89-C114 HydrophobicContact CD1-CB 4.45Å; I89-C114 HydrophobicContact CG1-CB 4.14Å |
| 90 | E | 67.9 | Low | 73.7 | Confident | 110 Ų | 110 | 32 Ų | 32 | 51% | 0.514 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 51.8 | 179.1 | -163.5 | 167.3 | -156.2 | 0 | 0 | 113.3 | S92 N112 | E90-S92 PolarHBondContact O-N 2.95Å; E90-N112 HydrophobicContact CB-CB 4.36Å; E90-N112 WeakPolarHBondContact CB-ND2 3.45Å; E90-N112 PolarHBondContact OE2-ND2 2.6Å; E90-N112 PolarHBondContact OE2-OD1 3.2Å |
| 91 | S | 57.8 | Low | 72.9 | Confident | 86 Ų | 86 | 32.6 Ų | 32.6 | 60% | 0.601 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | -3.9 | -175.1 | -40.4 | 0 | 0 | 0 | 0 | 116 | I89 | I89-S91 VanDerWaalsContact C-N 3.34Å; I89-S91 PolarHBondContact O-N 3.09Å |
| 92 | S | 50.7 | Low | 72 | Confident | 53 Ų | 53 | 33.9 Ų | 33.9 | 37% | 0.371 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 125.2 | 177.9 | -61 | 0 | 0 | 0 | 0 | 110.8 | I89 E90 | I89-S92 PolarHBondContact N-O 2.91Å; I89-S92 WeakPolarHBondContact O-CA 3.47Å; I89-S92 WeakPolarHBondContact O-CB 3.22Å; I89-S92 PolarHBondContact O-N 3.27Å; E90-S92 PolarHBondContact O-N 2.95Å |
| 93 | M | 69.8 | Low | 70.6 | Confident | 58 Ų | 58 | 37.8 Ų | 37.8 | 29% | 0.286 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 110.6 | 179 | -172.5 | 173.8 | 62.1 | 0 | 0 | 111.8 | V87 L88 L95 L117 F1245 | V87-M93 CarbonylContact O-C 3.41Å; V87-M93 WeakPolarHBondContact O-CA 3.39Å; L88-M93 HydrophobicContact CD1-CB 4.4Å; M93-L95 HydrophobicContact CE-CD1 4.23Å; M93-L95 HydrophobicContact CE-CD2 3.98Å; M93-L95 HydrophobicContact CE-CG 4.15Å; M93-L95 HydrophobicContact CG-CG 4.48Å; M93-L95 HydrophobicContact SD-CD2 4.49Å; M93-L117 HydrophobicContact CG-CD1 4.06Å; M93-L117 HydrophobicContact SD-CD1 3.68Å; M93-F1245 HydrophobicContact CE-CE1 3.71Å; M93-F1245 HydrophobicContact CE-CE2 3.97Å; M93-F1245 HydrophobicContact CE-CZ 3.25Å |
| 94 | F | 71 | Confident | 68.9 | Low | 60 Ų | 60 | 41.4 Ų | 41.4 | 26% | 0.263 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 135.6 | 167.1 | -70.4 | -102.8 | 0 | 0 | 0 | 109.1 | L82 S86 V87 I89 F100 | L82-F94 HydrophobicContact CD2-CB 4.33Å; L82-F94 WeakPolarHBondContact CD2-O 3.43Å; S86-F94 WeakPolarHBondContact CA-O 3.42Å; V87-F94 HydrophobicContact CB-CB 4.33Å; V87-F94 PolarHBondContact N-O 3.45Å; V87-F94 WeakPolarHBondContact O-CB 3.29Å; V87-F94 PolarHBondContact O-N 2.9Å; I89-F94 HydrophobicContact CB-CD2 4.09Å; I89-F94 HydrophobicContact CB-CE2 3.86Å; I89-F94 HydrophobicContact CD1-CD2 3.83Å; I89-F94 HydrophobicContact CD1-CE2 3.9Å; I89-F94 HydrophobicContact CD1-CG 4.36Å; I89-F94 HydrophobicContact CD1-CZ 4.43Å; I89-F94 HydrophobicContact CG1-CD2 3.94Å; I89-F94 HydrophobicContact CG1-CE2 4.11Å; F94-F100 HydrophobicContact CB-CD1 4.18Å; F94-F100 HydrophobicContact CD1-CB 3.88Å; F94-F100 HydrophobicContact CD1-CD1 4.01Å; F94-F100 HydrophobicContact CD1-CG 4.36Å; F94-F100 HydrophobicContact CE1-CB 3.83Å; F94-F100 HydrophobicContact CG-CB 4.48Å; F94-F100 HydrophobicContact CG-CD1 4.18Å; F94-F100 HydrophobicContact CZ-CB 4.4Å |
| 95 | L | 73.3 | Confident | 67 | Low | 25 Ų | 25 | 41.9 Ų | 41.9 | 13% | 0.131 | 23% | 0.225 | C | C | . | . | trans | -127.4 | 169.9 | -171 | -83.5 | 172.3 | 0 | 0 | 0 | 110.2 | M93 S98 V1621 R1625 | M93-L95 HydrophobicContact CE-CD1 4.23Å; M93-L95 HydrophobicContact CE-CD2 3.98Å; M93-L95 HydrophobicContact CE-CG 4.15Å; M93-L95 HydrophobicContact CG-CG 4.48Å; M93-L95 HydrophobicContact SD-CD2 4.49Å; L95-S98 PolarHBondContact N-OG 2.7Å; L95-S98 WeakPolarHBondContact O-CB 3.47Å; L95-S98 PolarHBondContact O-N 3.42Å; L95-S98 PolarHBondContact O-OG 3.49Å; L95-V1621 HydrophobicContact CD1-CB 4.29Å; L95-V1621 HydrophobicContact CD1-CG1 4.13Å; L95-V1621 HydrophobicContact CD1-CG2 4.26Å; L95-R1625 PolarHBondContact O-NH1 3.26Å | ||
| 96 | P | 71.2 | Confident | 65.2 | Low | 12 Ų | 12 | 44 Ų | 44 | 8% | 0.078 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 144.5 | -178.2 | -31.2 | 40 | 0 | 0 | 0 | 114.5 | G85 S98 R1625 | G85-P96 VanDerWaalsContact O-CD 3.26Å; G85-P96 WeakPolarHBondContact O-CD 3.42Å; G85-P96 WeakPolarHBondContact O-CG 3.35Å; P96-S98 PolarHBondContact O-N 3.49Å; P96-S98 VanDerWaalsContact O-N 3.16Å; P96-R1625 PolarHBondContact O-NH1 2.93Å |
| 97 | R | 65.3 | Low | 63.7 | Low | 33 Ų | 33 | 45.2 Ų | 45.2 | 13% | 0.125 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 18 | -170.1 | -51.9 | -159.5 | -176.4 | 111.8 | 2.6 | 115.7 | D5 Y30 I34 L82 E1622 | D5-R97 IonicContact OD1-CZ 3.07Å; D5-R97 IonicContact OD1-NH2 3.15Å; D5-R97 PolarHBondContact OD1-NH2 3.37Å; Y30-R97 PolarHBondContact OH-NE 3Å; Y30-R97 PolarHBondContact OH-NH2 3.19Å; I34-R97 HydrophobicContact CG1-CB 4.32Å; I34-R97 HydrophobicContact CG2-CB 4.29Å; I34-R97 WeakPolarHBondContact CG2-O 3.09Å; L82-R97 WeakPolarHBondContact O-CA 3.03Å; L82-R97 PolarHBondContact O-N 3.09Å; R97-E1622 WeakPolarHBondContact CD-OE1 3.39Å; R97-E1622 WeakPolarHBondContact CG-OE1 3.34Å; R97-E1622 IonicContact CZ-OE1 2.78Å; R97-E1622 IonicContact NE-OE1 2.63Å; R97-E1622 IonicContact NH1-OE1 2.73Å; R97-E1622 PolarHBondContact NH1-OE1 2.67Å |
| 98 | S | 66.7 | Low | 62.8 | Low | 19 Ų | 19 | 50.4 Ų | 50.4 | 13% | 0.133 | 28% | 0.276 | C | S | . | . | trans | -88.3 | 165 | 160.9 | 70.5 | 0 | 0 | 0 | 0 | 112.3 | L82 L95 P96 | L82-S98 PolarHBondContact N-O 2.76Å; L95-S98 PolarHBondContact N-OG 2.7Å; L95-S98 WeakPolarHBondContact O-CB 3.47Å; L95-S98 PolarHBondContact O-N 3.42Å; L95-S98 PolarHBondContact O-OG 3.49Å; P96-S98 PolarHBondContact O-N 3.49Å; P96-S98 VanDerWaalsContact O-N 3.16Å | ||
| 99 | Y | 75.4 | Confident | 62.1 | Low | 84 Ų | 84 | 52.5 Ų | 52.5 | 33% | 0.329 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 150.8 | 177.3 | 65.4 | -91 | 0 | 0 | 0 | 110.9 | G36 L37 W79 F80 T102 | G36-Y99 WeakPolarHBondContact O-CE1 3.3Å; G36-Y99 PolarHBondContact O-OH 3.11Å; L37-Y99 HydrophobicContact CD2-CD1 3.66Å; L37-Y99 HydrophobicContact CD2-CE1 3.9Å; L37-Y99 HydrophobicContact CD2-CG 4.13Å; L37-Y99 HydrophobicContact CG-CD1 4.5Å; W79-Y99 AromaticContact CZ2-CD2 3.9Å; W79-Y99 HydrophobicContact CZ2-CD2 3.9Å; W79-Y99 AromaticContact CZ2-CG 3.89Å; W79-Y99 HydrophobicContact CZ2-CG 3.89Å; W79-Y99 AromaticContact NE1-CD2 3.53Å; W79-Y99 AromaticContact NE1-CG 3.97Å; F80-Y99 CarbonylContact O-C 3.5Å; F80-Y99 WeakPolarHBondContact O-CA 3.4Å; F80-Y99 WeakPolarHBondContact O-CB 3.2Å; Y99-T102 HydrophobicContact CD2-CG2 4.26Å; Y99-T102 HydrophobicContact CE2-CG2 4.41Å |
| 100 | F | 76.2 | Confident | 61.6 | Low | 8 Ų | 8 | 52.2 Ų | 52.2 | 4% | 0.035 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 162.2 | -176 | 59.7 | -98.3 | 0 | 0 | 0 | 112.5 | L69 Y70 F80 L82 V87 I89 F94 L122 | L69-F100 HydrophobicContact CD2-CE2 3.6Å; L69-F100 HydrophobicContact CD2-CZ 3.78Å; Y70-F100 HydrophobicContact CE1-CD2 4.15Å; Y70-F100 HydrophobicContact CE1-CE2 4.13Å; F80-F100 HydrophobicContact CB-CD1 4.43Å; F80-F100 HydrophobicContact CB-CD2 3.78Å; F80-F100 HydrophobicContact CB-CE1 4.12Å; F80-F100 HydrophobicContact CB-CE2 3.4Å; F80-F100 VanDerWaalsContact CB-CE2 3.4Å; F80-F100 HydrophobicContact CB-CG 4.28Å; F80-F100 HydrophobicContact CB-CZ 3.59Å; F80-F100 HydrophobicContact CD1-CE2 4.41Å; F80-F100 AromaticContact CD2-CD2 3.86Å; F80-F100 HydrophobicContact CD2-CD2 3.86Å; F80-F100 AromaticContact CD2-CE2 3.57Å; F80-F100 HydrophobicContact CD2-CE2 3.57Å; F80-F100 HydrophobicContact CE2-CE2 4.45Å; F80-F100 HydrophobicContact CG-CD2 4.12Å; F80-F100 AromaticContact CG-CE2 3.55Å; F80-F100 HydrophobicContact CG-CE2 3.55Å; F80-F100 HydrophobicContact CG-CZ 4.05Å; F80-F100 PolarHBondContact N-O 3.3Å; F80-F100 PolarHBondContact O-N 3.3Å; L82-F100 HydrophobicContact CB-CE1 4.29Å; V87-F100 HydrophobicContact CB-CE1 4.24Å; V87-F100 HydrophobicContact CB-CZ 4.37Å; V87-F100 HydrophobicContact CG1-CE1 4.29Å; V87-F100 HydrophobicContact CG1-CE2 4.5Å; V87-F100 HydrophobicContact CG1-CZ 4.04Å; V87-F100 HydrophobicContact CG2-CE1 4.14Å; V87-F100 HydrophobicContact CG2-CZ 4.13Å; I89-F100 HydrophobicContact CD1-CB 3.75Å; I89-F100 HydrophobicContact CD1-CD1 4.39Å; I89-F100 HydrophobicContact CD1-CD2 3.69Å; I89-F100 HydrophobicContact CD1-CE2 4.39Å; I89-F100 HydrophobicContact CD1-CG 3.7Å; F94-F100 HydrophobicContact CB-CD1 4.18Å; F94-F100 HydrophobicContact CD1-CB 3.88Å; F94-F100 HydrophobicContact CD1-CD1 4.01Å; F94-F100 HydrophobicContact CD1-CG 4.36Å; F94-F100 HydrophobicContact CE1-CB 3.83Å; F94-F100 HydrophobicContact CG-CB 4.48Å; F94-F100 HydrophobicContact CG-CD1 4.18Å; F94-F100 HydrophobicContact CZ-CB 4.4Å; F100-L122 HydrophobicContact CE1-CD2 4.31Å; F100-L122 HydrophobicContact CZ-CD2 4.01Å |
| 101 | G | 67.8 | Low | 61.3 | Low | 17 Ų | 17 | 51.2 Ų | 51.2 | 18% | 0.175 | 27% | 0.27 | C | S | . | . | trans | 78.3 | 24.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | R110 | G101-R110 PolarHBondContact O-NH1 2.88Š| ||
| 102 | T | 63.8 | Low | 62.1 | Low | 30 Ų | 30 | 49.2 Ų | 49.2 | 18% | 0.184 | 25% | 0.252 | C | S | . | . | trans | -64.5 | 149.2 | 172.8 | 39.4 | 0 | 0 | 0 | 0 | 113.1 | W79 Y99 T104 | W79-T102 HydrophobicContact CD2-CG2 4.31Å; W79-T102 HydrophobicContact CG-CG2 4Å; W79-T102 VanDerWaalsContact NE1-CG2 3.29Å; Y99-T102 HydrophobicContact CD2-CG2 4.26Å; Y99-T102 HydrophobicContact CE2-CG2 4.41Å; T102-T104 HydrophobicContact CG2-CG2 4.42Å; T102-T104 PolarHBondContact O-N 3.07Å; T102-T104 WeakPolarHBondContact OG1-CG2 3.13Å; T102-T104 PolarHBondContact OG1-OG1 3.34Å | ||
| 103 | R | 51 | Low | 63.5 | Low | 83 Ų | 83 | 50.2 Ų | 50.2 | 31% | 0.313 | 25% | 0.254 | S | S | . | . | trans | -78.1 | 60.8 | 159.4 | -71.4 | -167.4 | -169.7 | 159 | 9.4 | 110.7 | C76 N105 L127 D128 | C76-R103 HydrophobicContact CB-CG 3.9Å; C76-R103 PolarHBondContact O-NE 3.25Å; C76-R103 PolarHBondContact O-NH2 3Å; C76-R103 VanDerWaalsContact O-NH2 3.11Å; R103-N105 VanDerWaalsContact C-N 3.35Å; R103-L127 HydrophobicContact CB-CD2 4.37Å; R103-L127 HydrophobicContact CG-CD2 4.3Å; R103-D128 IonicContact CZ-OD1 2.72Å; R103-D128 IonicContact NH1-OD1 3.69Å; R103-D128 PolarHBondContact NH1-OD1 2.95Å; R103-D128 IonicContact NH2-OD1 3.75Å; R103-D128 PolarHBondContact NH2-OD1 2.92Å; R103-D128 IonicContact NH2-OD2 2.77Å; R103-D128 PolarHBondContact NH2-OD2 3.1Å | ||
| 104 | T | 44.8 | Very low | 64.1 | Low | 82 Ų | 82 | 47.4 Ų | 47.4 | 50% | 0.503 | 24% | 0.24 | S | C | . | . | trans | -79.8 | -12.2 | -177.3 | 20.9 | 0 | 0 | 0 | 0 | 114.3 | T102 | T102-T104 HydrophobicContact CG2-CG2 4.42Å; T102-T104 PolarHBondContact O-N 3.07Å; T102-T104 WeakPolarHBondContact OG1-CG2 3.13Å; T102-T104 PolarHBondContact OG1-OG1 3.34Å | ||
| 105 | N | 39.4 | Very low | 64.6 | Low | 29 Ų | 29 | 46.8 Ų | 46.8 | 16% | 0.155 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -139.9 | 30.6 | -156.8 | -49 | 87.2 | 0 | 0 | 0 | 114.4 | R103 N107 E400 | R103-N105 VanDerWaalsContact C-N 3.35Å; N105-N107 PolarHBondContact O-N 2.62Å; N105-E400 HydrophobicContact CB-CB 4.31Å; N105-E400 VanDerWaalsContact CB-OE2 3.24Å; N105-E400 WeakPolarHBondContact CB-OE2 3.4Å; N105-E400 PolarHBondContact ND2-OE1 2.83Å; N105-E400 PolarHBondContact ND2-OE2 2.95Å |
| 106 | G | 43.1 | Very low | 65.1 | Low | 54 Ų | 54 | 45.6 Ų | 45.6 | 56% | 0.557 | 23% | 0.233 | S | C | * | . | S | Bend | trans | 66.3 | -20.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 107 | N | 47.4 | Very low | 65.3 | Low | 35 Ų | 35 | 47.8 Ų | 47.8 | 19% | 0.187 | 24% | 0.243 | C | C | . | . | trans | -85.9 | 134 | -175.5 | -167.2 | -31 | 0 | 0 | 0 | 111.5 | N105 Y109 I398 | N105-N107 PolarHBondContact O-N 2.62Å; N107-Y109 VanDerWaalsContact C-N 3.27Å; N107-Y109 PolarHBondContact O-N 2.93Å; N107-Y109 WeakPolarHBondContact OD1-CD2 3.45Å; N107-Y109 PolarHBondContact OD1-N 2.8Å; N107-I398 PolarHBondContact ND2-O 2.73Å | ||
| 108 | F | 60.6 | Low | 65.9 | Low | 108 Ų | 108 | 50.4 Ų | 50.4 | 47% | 0.474 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -80.8 | -0.3 | -179.1 | -67 | -86.2 | 0 | 0 | 0 | 114 | W75 C76 | W75-F108 CarbonylContact C-O 3.45Å; W75-F108 WeakPolarHBondContact CA-O 3.31Å; C76-F108 PolarHBondContact N-O 3.11Å |
| 109 | Y | 63.3 | Low | 66.6 | Low | 102 Ų | 102 | 51.6 Ų | 51.6 | 40% | 0.4 | 26% | 0.264 | S | S | . | . | B | Isolated β-bridge | trans | -117.2 | 144.9 | -174 | -63.4 | -84.3 | 0 | 0 | 0 | 113.9 | G73 E74 W75 C76 N107 R111 | G73-Y109 VanDerWaalsContact O-CD1 3.3Å; G73-Y109 WeakPolarHBondContact O-CD1 3.32Å; E74-Y109 CarbonylContact O-C 3.49Å; E74-Y109 VanDerWaalsContact O-CA 3.22Å; E74-Y109 WeakPolarHBondContact O-CA 3.25Å; W75-Y109 AromaticContact CD1-CD1 3.97Å; W75-Y109 AromaticContact CD1-CE1 3.47Å; W75-Y109 VanDerWaalsContact CD1-CE1 3.47Å; W75-Y109 HydrophobicContact CD2-CE1 4.49Å; W75-Y109 AromaticContact CE2-CE1 3.95Å; W75-Y109 HydrophobicContact CG-CE1 4.22Å; W75-Y109 AromaticContact NE1-CE1 3.28Å; W75-Y109 VanDerWaalsContact NE1-CE1 3.28Å; W75-Y109 AromaticContact NE1-CZ 3.74Å; C76-Y109 PolarHBondContact SG-O 2.97Å; N107-Y109 VanDerWaalsContact C-N 3.27Å; N107-Y109 PolarHBondContact O-N 2.93Å; N107-Y109 WeakPolarHBondContact OD1-CD2 3.45Å; N107-Y109 PolarHBondContact OD1-N 2.8Å; Y109-R111 PolarHBondContact O-N 3.02Å |
| 110 | R | 67.7 | Low | 67 | Low | 9 Ų | 9 | 47.6 Ų | 47.6 | 3% | 0.034 | 25% | 0.249 | C | C | . | . | trans | -63.5 | 127 | 172 | -57.4 | -67.1 | -179 | -176 | 4.9 | 108.6 | Y70 H71 G73 E74 W75 C76 D77 S78 G101 | Y70-R110 HydrophobicContact CD2-CB 3.77Å; Y70-R110 HydrophobicContact CD2-CG 3.62Å; Y70-R110 HydrophobicContact CE2-CB 4.07Å; Y70-R110 HydrophobicContact CE2-CG 4.14Å; Y70-R110 HydrophobicContact CG-CG 3.96Å; H71-R110 VanDerWaalsContact O-CB 3.29Å; H71-R110 WeakPolarHBondContact O-CB 3.49Å; G73-R110 PolarHBondContact N-O 3.29Å; E74-R110 HydrophobicContact CB-CG 4.1Å; E74-R110 WeakPolarHBondContact O-CG 3.33Å; E74-R110 PolarHBondContact O-N 2.93Å; W75-R110 PolarHBondContact O-NE 2.92Å; C76-R110 PolarHBondContact SG-N 3.19Å; D77-R110 IonicContact OD1-CZ 3.91Å; D77-R110 IonicContact OD1-NH2 3.96Å; D77-R110 PolarHBondContact OD1-NH2 3.41Å; S78-R110 VanDerWaalsContact O-CZ 3.29Å; S78-R110 PolarHBondContact O-NH1 3.47Å; S78-R110 PolarHBondContact O-NH2 3.37Å; S78-R110 PolarHBondContact OG-NH2 3.1Å; G101-R110 PolarHBondContact O-NH1 2.88Å | ||
| 111 | R | 60.2 | Low | 67.4 | Low | 88 Ų | 88 | 47.2 Ų | 47.2 | 33% | 0.332 | 25% | 0.247 | S | C | . | . | trans | -76.9 | -36.8 | -179.3 | -68.9 | -176.3 | 177.5 | 159.3 | 1.8 | 113.5 | A72 Y109 E400 | A72-R111 WeakPolarHBondContact CB-O 3.38Å; Y109-R111 PolarHBondContact O-N 3.02Å; R111-E400 PolarHBondContact NH1-O 3.21Å | ||
| 112 | N | 75.3 | Confident | 68.2 | Low | 44 Ų | 44 | 46.4 Ų | 46.4 | 24% | 0.235 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -129.6 | 149.9 | -164.9 | -63.1 | -26.9 | 0 | 0 | 0 | 110.8 | Y70 I89 E90 | Y70-N112 WeakPolarHBondContact CD2-O 3.27Å; Y70-N112 VanDerWaalsContact CE2-O 3.25Å; Y70-N112 WeakPolarHBondContact CE2-O 3.26Å; I89-N112 HydrophobicContact CG2-CB 3.57Å; E90-N112 HydrophobicContact CB-CB 4.36Å; E90-N112 WeakPolarHBondContact CB-ND2 3.45Å; E90-N112 PolarHBondContact OE2-ND2 2.6Å; E90-N112 PolarHBondContact OE2-OD1 3.2Å |
| 113 | D | 80.2 | Confident | 69.1 | Low | 74 Ų | 74 | 45.1 Ų | 45.1 | 40% | 0.396 | 23% | 0.231 | S | C | . | . | trans | -64.6 | 142.5 | 165.4 | -71.5 | -33.9 | 0 | 0 | 0 | 110.1 | L68 H71 A72 | L68-D113 HydrophobicContact CD1-CB 4.19Å; L68-D113 HydrophobicContact CD2-CB 4.27Å; H71-D113 VanDerWaalsContact CA-OD1 3.27Å; H71-D113 WeakPolarHBondContact CA-OD1 3.2Å; H71-D113 IonicContact ND1-OD1 2.85Å; A72-D113 PolarHBondContact N-OD1 3.31Å | ||
| 114 | C | 82.8 | Confident | 70.5 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 100 | -175 | -179.7 | 0 | 0 | 0 | 0 | 110.4 | L68 L69 Y70 V87 I89 | L68-C114 CarbonylContact C-O 3.51Å; L68-C114 WeakPolarHBondContact CA-O 3.27Å; L68-C114 WeakPolarHBondContact CD1-O 3.37Å; L68-C114 WeakPolarHBondContact CG-O 3.28Å; L69-C114 HydrophobicContact CB-CB 4.42Å; L69-C114 PolarHBondContact N-O 3.28Å; Y70-C114 HydrophobicContact CD1-CB 3.97Å; Y70-C114 HydrophobicContact CD2-CB 3.62Å; Y70-C114 HydrophobicContact CE1-CB 3.75Å; Y70-C114 HydrophobicContact CE2-CB 3.38Å; Y70-C114 HydrophobicContact CG-CB 3.92Å; Y70-C114 VanDerWaalsContact CZ-CB 3.45Å; Y70-C114 PolarHBondContact O-N 3.42Å; V87-C114 WeakPolarHBondContact CG1-SG 3.12Å; I89-C114 HydrophobicContact CD1-CB 4.45Å; I89-C114 HydrophobicContact CG1-CB 4.14Å |
| 115 | L | 81.4 | Confident | 71.9 | Confident | 47 Ų | 47 | 38.3 Ų | 38.3 | 25% | 0.246 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 122.1 | -175.6 | 178.9 | 64.7 | 0 | 0 | 0 | 111 | L68 V87 L88 L117 | L68-L115 HydrophobicContact CD1-CB 3.93Å; L68-L115 HydrophobicContact CD1-CD1 4.24Å; V87-L115 CarbonylContact C-O 3.57Å; V87-L115 WeakPolarHBondContact CA-O 3.45Å; L88-L115 HydrophobicContact CB-CB 4.43Å; L88-L115 PolarHBondContact N-O 2.78Å; L88-L115 PolarHBondContact O-N 2.86Å; L115-L117 HydrophobicContact CD2-CD2 4.06Å; L115-L117 HydrophobicContact CG-CD2 4.28Å; L115-L117 PolarHBondContact O-N 2.8Å |
| 116 | V | 82.8 | Confident | 73.2 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 116 | 172.6 | -178.9 | 0 | 0 | 0 | 0 | 108.7 | V63 P64 G65 D66 M67 L69 V87 E118 S120 | V63-V116 HydrophobicContact CB-CG1 4.49Å; V63-V116 HydrophobicContact CB-CG2 4.4Å; V63-V116 HydrophobicContact CG1-CB 4.33Å; V63-V116 HydrophobicContact CG1-CG1 4.37Å; V63-V116 HydrophobicContact CG1-CG2 3.85Å; P64-V116 WeakPolarHBondContact O-CG1 3.47Å; G65-V116 CarbonylContact C-O 3.56Å; D66-V116 PolarHBondContact N-O 3.18Å; M67-V116 WeakPolarHBondContact O-CB 3.43Å; M67-V116 PolarHBondContact O-N 2.83Å; L69-V116 HydrophobicContact CB-CG2 4.02Å; V87-V116 HydrophobicContact CG2-CG2 4.23Å; V116-E118 WeakPolarHBondContact CG1-O 3.31Å; V116-S120 WeakPolarHBondContact CG1-OG 3.3Å |
| 117 | L | 76.2 | Confident | 73.9 | Confident | 57 Ų | 57 | 39.9 Ų | 39.9 | 30% | 0.298 | 19% | 0.189 | S | C | . | . | trans | -81.6 | -34.2 | -172.9 | -63.3 | 178.3 | 0 | 0 | 0 | 112.7 | S86 L88 M93 L115 | S86-L117 PolarHBondContact O-N 3.31Å; L88-L117 HydrophobicContact CB-CD1 4.14Å; L88-L117 HydrophobicContact CB-CD2 3.96Å; L88-L117 HydrophobicContact CB-CG 4.07Å; L88-L117 HydrophobicContact CD2-CD2 4.44Å; M93-L117 HydrophobicContact CG-CD1 4.06Å; M93-L117 HydrophobicContact SD-CD1 3.68Å; L115-L117 HydrophobicContact CD2-CD2 4.06Å; L115-L117 HydrophobicContact CG-CD2 4.28Å; L115-L117 PolarHBondContact O-N 2.8Å | ||
| 118 | E | 78.8 | Confident | 74.1 | Confident | 89 Ų | 89 | 42.5 Ų | 42.5 | 42% | 0.416 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -139.7 | 161.2 | 179.3 | 72.5 | -171 | 126.2 | 0 | 0 | 110 | G85 S86 V116 S120 | G85-E118 VanDerWaalsContact C-OE1 3.32Å; G85-E118 WeakPolarHBondContact CA-OE1 3.4Å; S86-E118 VanDerWaalsContact CB-OE1 3.28Å; S86-E118 WeakPolarHBondContact CB-OE1 3.48Å; S86-E118 PolarHBondContact N-OE1 2.94Å; S86-E118 VanDerWaalsContact N-OE1 3.13Å; S86-E118 PolarHBondContact OG-OE1 3.44Å; V116-E118 WeakPolarHBondContact CG1-O 3.31Å; E118-S120 WeakPolarHBondContact O-CB 3.4Å; E118-S120 PolarHBondContact O-N 3.15Å; E118-S120 PolarHBondContact O-OG 2.85Å |
| 119 | P | 81.3 | Confident | 73.4 | Confident | 43 Ų | 43 | 40 Ų | 40 | 28% | 0.279 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -54.4 | 101.5 | -179.3 | -27.8 | 36.7 | 0 | 0 | 0 | 113.4 | V63 T1612 | V63-P119 CarbonylContact O-C 3.45Å; V63-P119 VanDerWaalsContact O-CA 3.31Å; V63-P119 WeakPolarHBondContact O-CA 3.34Å; P119-T1612 HydrophobicContact CG-CG2 4.34Å |
| 120 | S | 83.9 | Confident | 72.3 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 142.8 | -164.5 | -66.5 | 0 | 0 | 0 | 0 | 112.3 | R62 V63 S84 G85 S86 V116 E118 | R62-S120 CarbonylContact C-O 3.57Å; R62-S120 WeakPolarHBondContact CA-O 3.48Å; V63-S120 PolarHBondContact N-O 3.47Å; V63-S120 PolarHBondContact O-N 2.96Å; S84-S120 CarbonylContact O-C 3.47Å; S84-S120 WeakPolarHBondContact O-CA 3.36Å; S84-S120 WeakPolarHBondContact O-CB 3.49Å; G85-S120 WeakPolarHBondContact CA-OG 3.44Å; S86-S120 PolarHBondContact N-OG 2.77Å; S86-S120 VanDerWaalsContact N-OG 3.14Å; S86-S120 PolarHBondContact O-OG 2.82Å; V116-S120 WeakPolarHBondContact CG1-OG 3.3Å; E118-S120 WeakPolarHBondContact O-CB 3.4Å; E118-S120 PolarHBondContact O-N 3.15Å; E118-S120 PolarHBondContact O-OG 2.85Å |
| 121 | D | 84.7 | Confident | 71 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 123.1 | 179.3 | -80.9 | 14.5 | 0 | 0 | 0 | 109.5 | M1 I9 Y60 R62 I83 S84 | M1-D121 HydrophobicContact CE-CB 4.41Å; M1-D121 WeakPolarHBondContact CE-OD2 3.15Å; I9-D121 WeakPolarHBondContact CD1-OD2 3.45Å; Y60-D121 HydrophobicContact CE2-CB 3.75Å; Y60-D121 VanDerWaalsContact CE2-CG 3.5Å; Y60-D121 VanDerWaalsContact CE2-OD2 3.23Å; Y60-D121 WeakPolarHBondContact CE2-OD2 3.08Å; Y60-D121 VanDerWaalsContact CZ-OD2 3.31Å; Y60-D121 PolarHBondContact OH-OD1 3.35Å; Y60-D121 PolarHBondContact OH-OD2 3.43Å; R62-D121 WeakPolarHBondContact CB-OD1 3.46Å; R62-D121 WeakPolarHBondContact CD-OD1 3.42Å; R62-D121 WeakPolarHBondContact CG-OD1 3.47Å; R62-D121 IonicContact CZ-OD1 3.67Å; R62-D121 IonicContact NE-OD1 3.46Å; R62-D121 VanDerWaalsContact NH1-CG 3.28Å; R62-D121 IonicContact NH1-OD1 3.76Å; R62-D121 PolarHBondContact NH1-OD1 3.23Å; R62-D121 IonicContact NH1-OD2 2.76Å; R62-D121 PolarHBondContact NH1-OD2 3.38Å; I83-D121 HydrophobicContact CB-CB 4.01Å; I83-D121 WeakPolarHBondContact CB-O 3.47Å; I83-D121 HydrophobicContact CD1-CB 4.44Å; I83-D121 PolarHBondContact N-O 3.05Å; S84-D121 PolarHBondContact N-O 3.45Å; S84-D121 PolarHBondContact O-N 3.44Å; S84-D121 WeakPolarHBondContact OG-CB 3.46Å |
| 122 | L | 84.3 | Confident | 69.9 | Low | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 135.1 | -175.2 | -55.3 | 176.7 | 0 | 0 | 0 | 110.7 | Y60 R61 V63 L69 F80 I81 L82 F100 I124 | Y60-L122 CarbonylContact C-O 3.05Å; Y60-L122 WeakPolarHBondContact CA-O 3.44Å; R61-L122 PolarHBondContact N-O 2.92Å; R61-L122 PolarHBondContact O-N 2.88Å; V63-L122 HydrophobicContact CG2-CD1 3.68Å; V63-L122 HydrophobicContact CG2-CG 4.32Å; L69-L122 HydrophobicContact CD1-CD1 3.89Å; L69-L122 HydrophobicContact CD2-CD1 3.52Å; L69-L122 HydrophobicContact CG-CD1 4.38Å; F80-L122 HydrophobicContact CD1-CB 4.48Å; F80-L122 HydrophobicContact CD1-CD1 3.83Å; F80-L122 HydrophobicContact CE1-CD1 4.3Å; I81-L122 CarbonylContact O-C 3.43Å; I81-L122 WeakPolarHBondContact O-CA 3.35Å; L82-L122 HydrophobicContact CB-CD2 4.36Å; L82-L122 HydrophobicContact CD1-CD2 3.61Å; F100-L122 HydrophobicContact CE1-CD2 4.31Å; F100-L122 HydrophobicContact CZ-CD2 4.01Å; L122-I124 HydrophobicContact CB-CG1 4.24Å |
| 123 | V | 82.7 | Confident | 67.8 | Low | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 135.5 | 151 | -161.7 | 0 | 0 | 0 | 0 | 107.4 | F8 L12 A58 R59 F80 I81 I83 | F8-V123 HydrophobicContact CE1-CG2 3.97Å; F8-V123 HydrophobicContact CZ-CG2 4.12Å; L12-V123 HydrophobicContact CD1-CB 4.32Å; L12-V123 HydrophobicContact CD1-CG1 3.94Å; L12-V123 HydrophobicContact CD1-CG2 3.7Å; L12-V123 HydrophobicContact CD2-CG1 4.33Å; A58-V123 HydrophobicContact CB-CG1 3.6Å; R59-V123 CarbonylContact O-C 3.33Å; R59-V123 WeakPolarHBondContact O-CA 3.27Å; F80-V123 CarbonylContact C-O 3.58Å; F80-V123 WeakPolarHBondContact CA-O 3.21Å; I81-V123 HydrophobicContact CB-CB 3.93Å; I81-V123 HydrophobicContact CB-CG2 4.02Å; I81-V123 HydrophobicContact CD1-CB 4.4Å; I81-V123 HydrophobicContact CG1-CB 4.35Å; I81-V123 PolarHBondContact N-O 3.03Å; I81-V123 PolarHBondContact O-N 3.09Å; I83-V123 HydrophobicContact CD1-CG2 3.77Å; I83-V123 HydrophobicContact CG1-CG2 3.67Å |
| 124 | I | 80.5 | Confident | 65.6 | Low | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 118.1 | 175.2 | -50.5 | -174.5 | 0 | 0 | 0 | 108.6 | A58 R59 R61 W79 F80 L122 Y126 | A58-I124 CarbonylContact C-O 2.78Å; A58-I124 WeakPolarHBondContact CA-O 3.49Å; R59-I124 PolarHBondContact N-O 2.96Å; R59-I124 PolarHBondContact O-N 3.36Å; R61-I124 HydrophobicContact CB-CD1 3.53Å; R61-I124 HydrophobicContact CB-CG1 4.22Å; R61-I124 HydrophobicContact CG-CD1 4.21Å; W79-I124 WeakPolarHBondContact O-CA 3.17Å; F80-I124 HydrophobicContact CD1-CD1 4.14Å; F80-I124 HydrophobicContact CD1-CG1 3.81Å; F80-I124 HydrophobicContact CD1-CG2 4.43Å; F80-I124 HydrophobicContact CE1-CD1 3.76Å; F80-I124 HydrophobicContact CE1-CG1 3.92Å; F80-I124 HydrophobicContact CE1-CG2 4.2Å; L122-I124 HydrophobicContact CB-CG1 4.24Å; I124-Y126 HydrophobicContact CB-CE2 4.24Å; I124-Y126 HydrophobicContact CG2-CD2 3.94Å; I124-Y126 HydrophobicContact CG2-CE2 3.52Å |
| 125 | D | 74 | Confident | 63.3 | Low | 21 Ų | 21 | 57.6 Ų | 57.6 | 11% | 0.112 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 140.4 | 164.9 | -165.1 | 17.6 | 0 | 0 | 0 | 110.4 | I54 S78 W79 | I54-D125 HydrophobicContact CG2-CB 4.5Å; S78-D125 CarbonylContact C-O 3.57Å; S78-D125 WeakPolarHBondContact CA-O 3.37Å; S78-D125 WeakPolarHBondContact CB-O 3.43Å; W79-D125 HydrophobicContact CE3-CB 4.17Å; W79-D125 PolarHBondContact N-O 3.12Å; W79-D125 PolarHBondContact O-N 3.27Å |
| 126 | Y | 67.1 | Low | 61.1 | Low | 54 Ų | 54 | 57.4 Ų | 57.4 | 21% | 0.212 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 103.7 | -176.3 | -83.4 | -77.9 | 0 | 0 | 0 | 108.4 | R61 D77 I124 D128 N129 | R61-Y126 PolarHBondContact NH2-OH 2.78Å; D77-Y126 WeakPolarHBondContact OD2-CE1 3.27Å; I124-Y126 HydrophobicContact CB-CE2 4.24Å; I124-Y126 HydrophobicContact CG2-CD2 3.94Å; I124-Y126 HydrophobicContact CG2-CE2 3.52Å; Y126-D128 VanDerWaalsContact C-N 3.3Å; Y126-D128 PolarHBondContact O-N 3.37Å; Y126-N129 PolarHBondContact O-ND2 3.36Å |
| 127 | L | 56.7 | Low | 58.8 | Low | 62 Ų | 62 | 60.7 Ų | 60.7 | 33% | 0.325 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -23.7 | -164.8 | -85.1 | 68.5 | 0 | 0 | 0 | 113.8 | W79 R103 N129 | W79-L127 HydrophobicContact CB-CD1 3.94Å; R103-L127 HydrophobicContact CB-CD2 4.37Å; R103-L127 HydrophobicContact CG-CD2 4.3Å; L127-N129 PolarHBondContact O-N 3.19Å |
| 128 | D | 51.2 | Low | 56.6 | Low | 89 Ų | 89 | 61.9 Ų | 61.9 | 48% | 0.476 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 23.8 | -173.1 | -56.4 | -41.1 | 0 | 0 | 0 | 113.9 | R103 Y126 Y130 | R103-D128 IonicContact CZ-OD1 2.72Å; R103-D128 IonicContact NH1-OD1 3.69Å; R103-D128 PolarHBondContact NH1-OD1 2.95Å; R103-D128 IonicContact NH2-OD1 3.75Å; R103-D128 PolarHBondContact NH2-OD1 2.92Å; R103-D128 IonicContact NH2-OD2 2.77Å; R103-D128 PolarHBondContact NH2-OD2 3.1Å; Y126-D128 VanDerWaalsContact C-N 3.3Å; Y126-D128 PolarHBondContact O-N 3.37Å; D128-Y130 VanDerWaalsContact O-CD2 3.3Å; D128-Y130 WeakPolarHBondContact O-CD2 3.42Å; D128-Y130 PolarHBondContact O-N 2.97Å |
| 129 | N | 46.8 | Very low | 54.5 | Low | 55 Ų | 55 | 60.2 Ų | 60.2 | 29% | 0.294 | 32% | 0.322 | S | S | . | . | trans | -80.8 | 99.5 | 172.3 | -75.5 | -71.9 | 0 | 0 | 0 | 110.8 | Y126 L127 S131 | Y126-N129 PolarHBondContact O-ND2 3.36Å; L127-N129 PolarHBondContact O-N 3.19Å; N129-S131 PolarHBondContact O-N 2.77Å | ||
| 130 | Y | 40.9 | Very low | 52.2 | Low | 234 Ų | 234 | 62.8 Ų | 62.8 | 92% | 0.918 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 23.5 | -179.6 | -70.4 | -89.7 | 0 | 0 | 0 | 116.6 | D128 | D128-Y130 VanDerWaalsContact O-CD2 3.3Å; D128-Y130 WeakPolarHBondContact O-CD2 3.42Å; D128-Y130 PolarHBondContact O-N 2.97Å |
| 131 | S | 38.4 | Very low | 49.6 | Very low | 70 Ų | 70 | 70.7 Ų | 70.7 | 49% | 0.49 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | 14 | -176.9 | 54 | 0 | 0 | 0 | 0 | 114.2 | Y57 N129 | Y57-S131 PolarHBondContact OH-OG 2.99Å; N129-S131 PolarHBondContact O-N 2.77Å |
| 132 | L | 38.3 | Very low | 47 | Very low | 67 Ų | 67 | 78.2 Ų | 78.2 | 35% | 0.351 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -82.4 | 136.2 | 168.1 | -66 | 176.2 | 0 | 0 | 0 | 110.7 | A53 Y57 F136 | A53-L132 HydrophobicContact CB-CD2 3.92Å; Y57-L132 HydrophobicContact CE2-CD2 3.94Å; L132-F136 HydrophobicContact CB-CB 4.26Å; L132-F136 HydrophobicContact CB-CD2 4.16Å; L132-F136 HydrophobicContact CB-CG 4.17Å; L132-F136 HydrophobicContact CD1-CD1 4.02Å; L132-F136 HydrophobicContact CD1-CE1 4.44Å; L132-F136 HydrophobicContact CD1-CG 4.15Å; L132-F136 HydrophobicContact CD2-CD2 4.4Å; L132-F136 HydrophobicContact CD2-CE2 4.29Å; L132-F136 HydrophobicContact CD2-CZ 4.42Å |
| 133 | P | 32 | Very low | 44.3 | Very low | 84 Ų | 84 | 81.8 Ų | 81.8 | 55% | 0.545 | 43% | 0.429 | S | S | . | . | trans | -60.2 | 147.8 | 174.3 | -23.8 | 34.6 | 0 | 0 | 0 | 112.4 | S135 F136 | P133-S135 PolarHBondContact O-N 3.28Å; P133-F136 PolarHBondContact O-N 3.02Å | ||
| 134 | I | 33 | Very low | 41.6 | Very low | 148 Ų | 148 | 84.3 Ų | 84.3 | 76% | 0.759 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -19.6 | -170.4 | -66.8 | 166.7 | 0 | 0 | 0 | 113.8 | F136 T137 | I134-F136 PolarHBondContact O-N 2.91Å; I134-F136 VanDerWaalsContact O-N 3.13Å; I134-T137 PolarHBondContact O-N 3.28Å; I134-T137 PolarHBondContact O-OG1 2.97Å; I134-T137 VanDerWaalsContact O-OG1 3.05Å |
| 135 | S | 35.3 | Very low | 39 | Very low | 85 Ų | 85 | 87.4 Ų | 87.4 | 59% | 0.594 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -15.2 | 171.9 | 59.9 | 0 | 0 | 0 | 0 | 115 | P133 | P133-S135 PolarHBondContact O-N 3.28Š|
| 136 | F | 33.7 | Very low | 36.9 | Very low | 42 Ų | 42 | 89.3 Ų | 89.3 | 18% | 0.184 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -73.8 | -23.5 | 178.2 | -97 | -94.2 | 0 | 0 | 0 | 114.2 | E50 A53 L132 P133 I134 D138 | E50-F136 HydrophobicContact CB-CE1 4.23Å; E50-F136 HydrophobicContact CB-CZ 4.44Å; E50-F136 HydrophobicContact CG-CE1 3.72Å; E50-F136 HydrophobicContact CG-CZ 3.94Å; A53-F136 HydrophobicContact CB-CE1 4.03Å; A53-F136 HydrophobicContact CB-CE2 4.17Å; A53-F136 HydrophobicContact CB-CZ 3.41Å; A53-F136 VanDerWaalsContact CB-CZ 3.41Å; L132-F136 HydrophobicContact CB-CB 4.26Å; L132-F136 HydrophobicContact CB-CD2 4.16Å; L132-F136 HydrophobicContact CB-CG 4.17Å; L132-F136 HydrophobicContact CD1-CD1 4.02Å; L132-F136 HydrophobicContact CD1-CE1 4.44Å; L132-F136 HydrophobicContact CD1-CG 4.15Å; L132-F136 HydrophobicContact CD2-CD2 4.4Å; L132-F136 HydrophobicContact CD2-CE2 4.29Å; L132-F136 HydrophobicContact CD2-CZ 4.42Å; P133-F136 PolarHBondContact O-N 3.02Å; I134-F136 PolarHBondContact O-N 2.91Å; I134-F136 VanDerWaalsContact O-N 3.13Å; F136-D138 VanDerWaalsContact C-N 3.27Å; F136-D138 PolarHBondContact O-N 3.05Å |
| 137 | T | 34.7 | Very low | 34.9 | Very low | 69 Ų | 69 | 96.3 Ų | 96.3 | 42% | 0.423 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -74.3 | -22.2 | 178.7 | 50.9 | 0 | 0 | 0 | 0 | 112.6 | I134 R141 | I134-T137 PolarHBondContact O-N 3.28Å; I134-T137 PolarHBondContact O-OG1 2.97Å; I134-T137 VanDerWaalsContact O-OG1 3.05Å; T137-R141 WeakPolarHBondContact O-CB 3.36Å; T137-R141 VanDerWaalsContact O-CG 3.23Å; T137-R141 WeakPolarHBondContact O-CG 3.21Å; T137-R141 PolarHBondContact O-N 2.76Å |
| 138 | D | 30.5 | Very low | 33.5 | Very low | 82 Ų | 82 | 100.9 Ų | 100.9 | 44% | 0.439 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -88.8 | -35.3 | -168.8 | -62.8 | -15 | 0 | 0 | 0 | 112.5 | F136 H140 R141 L142 | F136-D138 VanDerWaalsContact C-N 3.27Å; F136-D138 PolarHBondContact O-N 3.05Å; D138-H140 VanDerWaalsContact C-N 3.31Å; D138-H140 PolarHBondContact O-N 2.84Å; D138-R141 PolarHBondContact O-N 3.17Å; D138-L142 VanDerWaalsContact O-CB 3.23Å; D138-L142 WeakPolarHBondContact O-CB 3.23Å; D138-L142 WeakPolarHBondContact O-CD1 3.43Å; D138-L142 WeakPolarHBondContact O-CG 3.46Å; D138-L142 PolarHBondContact O-N 2.77Å |
| 139 | T | 34.6 | Very low | 32.4 | Very low | 54 Ų | 54 | 105 Ų | 105 | 33% | 0.331 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.8 | -35.8 | 169.2 | 36.3 | 0 | 0 | 0 | 0 | 112 | E50 A143 | E50-T139 PolarHBondContact OE1-OG1 2.75Å; T139-A143 PolarHBondContact O-N 3.35Å |
| 140 | H | 33.8 | Very low | 31.3 | Very low | 98 Ų | 98 | 114.5 Ų | 114.5 | 45% | 0.454 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -73.9 | -34.6 | 173.6 | -83.4 | -75.2 | 0 | 0 | 0 | 113.9 | D138 V144 | D138-H140 VanDerWaalsContact C-N 3.31Å; D138-H140 PolarHBondContact O-N 2.84Å; H140-V144 PolarHBondContact O-N 3.19Å |
| 141 | R | 29 | Very low | 30.5 | Very low | 166 Ų | 166 | 113.4 Ų | 113.4 | 63% | 0.626 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -79 | -29.3 | 177.4 | -79.9 | 176.6 | 161.1 | -173.2 | -6.3 | 114.4 | T137 D138 V144 A145 | T137-R141 WeakPolarHBondContact O-CB 3.36Å; T137-R141 VanDerWaalsContact O-CG 3.23Å; T137-R141 WeakPolarHBondContact O-CG 3.21Å; T137-R141 PolarHBondContact O-N 2.76Å; D138-R141 PolarHBondContact O-N 3.17Å; R141-V144 CarbonylContact O-C 3.54Å; R141-A145 HydrophobicContact CB-CB 4.12Å; R141-A145 HydrophobicContact CG-CB 4.21Å; R141-A145 WeakPolarHBondContact O-CB 3.48Å; R141-A145 PolarHBondContact O-N 2.92Å |
| 142 | L | 29.3 | Very low | 29.8 | Very low | 158 Ų | 158 | 114.5 Ų | 114.5 | 83% | 0.827 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -76.9 | -13.1 | 173.8 | -67.9 | 169.2 | 0 | 0 | 0 | 112.5 | D138 | D138-L142 VanDerWaalsContact O-CB 3.23Å; D138-L142 WeakPolarHBondContact O-CB 3.23Å; D138-L142 WeakPolarHBondContact O-CD1 3.43Å; D138-L142 WeakPolarHBondContact O-CG 3.46Å; D138-L142 PolarHBondContact O-N 2.77Å |
| 143 | A | 27.9 | Very low | 29.3 | Very low | 76 Ų | 76 | 118.7 Ų | 118.7 | 63% | 0.628 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -78.3 | -50.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T139 | T139-A143 PolarHBondContact O-N 3.35Å |
| 144 | V | 26.3 | Very low | 29 | Very low | 55 Ų | 55 | 121 Ų | 121 | 33% | 0.333 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -148.8 | 118.2 | 173.7 | -175.3 | 0 | 0 | 0 | 0 | 111.6 | H140 R141 | H140-V144 PolarHBondContact O-N 3.19Å; R141-V144 CarbonylContact O-C 3.54Å |
| 145 | A | 24.6 | Very low | 28.7 | Very low | 67 Ų | 67 | 125.3 Ų | 125.3 | 55% | 0.554 | 62% | 0.616 | S | S | * | * | trans | -163.3 | 96.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 114 | R141 | R141-A145 HydrophobicContact CB-CB 4.12Å; R141-A145 HydrophobicContact CG-CB 4.21Å; R141-A145 WeakPolarHBondContact O-CB 3.48Å; R141-A145 PolarHBondContact O-N 2.92Å | ||
| 146 | P | 30.4 | Very low | 28.2 | Very low | 60 Ų | 60 | 127.3 Ų | 127.3 | 39% | 0.39 | 63% | 0.625 | S | S | . | * | trans | -95 | 127.8 | 177.7 | 31.1 | -26.9 | 0 | 0 | 0 | 114.6 | R423 | P146-R423 VanDerWaalsContact CG-NH2 3.31Š| ||
| 147 | Y | 26.3 | Very low | 28 | Very low | 202 Ų | 202 | 131.3 Ų | 131.3 | 79% | 0.792 | 66% | 0.655 | S | S | * | * | trans | 50.4 | 127.2 | 154.8 | -72 | -87.5 | 0 | 0 | 0 | 122.8 | ||||
| 148 | K | 27 | Very low | 27.5 | Very low | 157 Ų | 157 | 134.2 Ų | 134.2 | 68% | 0.683 | 67% | 0.672 | S | S | * | * | -170.2 | 156.3 | 105.7 | -99 | 159.2 | -174.9 | 166 | 0 | 112.1 | D396 | K148-D396 IonicContact NZ-OD2 2.76Å; K148-D396 PolarHBondContact NZ-OD2 3.46Å | |||
| 149 | H | 27.3 | Very low | 27.2 | Very low | 177 Ų | 177 | 134.5 Ų | 134.5 | 82% | 0.819 | 68% | 0.681 | S | S | * | * | S | Bend | trans | 56 | 102.3 | 177.5 | -65.9 | -78.7 | 0 | 0 | 0 | 118.1 | ||
| 150 | R | 24.2 | Very low | 26.6 | Very low | 253 Ų | 253 | 140.4 Ų | 140.4 | 96% | 0.955 | 70% | 0.702 | S | S | * | * | -129.9 | 129.1 | 56.1 | -72.8 | -176.7 | 177.1 | -171.4 | -1 | 113.9 | |||||
| 151 | Y | 23.6 | Very low | 26.4 | Very low | 211 Ų | 211 | 142.8 Ų | 142.8 | 83% | 0.827 | 72% | 0.718 | S | S | * | * | trans | -101.7 | 144.9 | 162.3 | -105.8 | -85.3 | 0 | 0 | 0 | 110 | ||||
| 152 | S | 24.4 | Very low | 26.2 | Very low | 94 Ų | 94 | 139.9 Ų | 139.9 | 66% | 0.657 | 72% | 0.715 | S | S | * | * | trans | 52.2 | 124.5 | 159.8 | -149.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 153 | L | 27.7 | Very low | 26.2 | Very low | 154 Ų | 154 | 139.3 Ų | 139.3 | 81% | 0.806 | 71% | 0.713 | S | S | * | * | -158.5 | 112.3 | 110.9 | -107.2 | 167.1 | 0 | 0 | 0 | 111.3 | |||||
| 154 | D | 25.6 | Very low | 26.2 | Very low | 133 Ų | 133 | 142 Ų | 142 | 71% | 0.711 | 72% | 0.717 | S | S | * | * | trans | 48.6 | 139.1 | 149.7 | -61.9 | -8.7 | 0 | 0 | 0 | 124.2 | ||||
| 155 | R | 26.8 | Very low | 26.3 | Very low | 239 Ų | 239 | 146.5 Ų | 146.5 | 90% | 0.902 | 74% | 0.739 | S | S | * | * | trans | -73.5 | 130.4 | 159.9 | -64.7 | 172.8 | 169.2 | -169.7 | -4 | 110.2 | ||||
| 156 | T | 25.1 | Very low | 26.3 | Very low | 126 Ų | 126 | 148.5 Ų | 148.5 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | trans | -132.9 | 118.9 | 149.1 | 50.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 157 | P | 29.2 | Very low | 26.2 | Very low | 126 Ų | 126 | 152.6 Ų | 152.6 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -91.5 | 131.8 | -179.1 | 34 | -31.7 | 0 | 0 | 0 | 111.8 | ||||
| 158 | V | 24.5 | Very low | 26.1 | Very low | 130 Ų | 130 | 147.5 Ų | 147.5 | 79% | 0.788 | 76% | 0.758 | S | S | * | * | trans | -140.5 | 126.9 | 172.2 | -171.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 159 | S | 24.1 | Very low | 26 | Very low | 88 Ų | 88 | 150 Ų | 150 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | trans | 52.7 | 109.9 | 161.7 | 64.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 160 | F | 22.6 | Very low | 25.8 | Very low | 178 Ų | 178 | 148.4 Ų | 148.4 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | 37.5 | 124.3 | 124.4 | -53.2 | -72.7 | 0 | 0 | 0 | 118.5 | |||||
| 161 | N | 27.6 | Very low | 25.7 | Very low | 148 Ų | 148 | 143.8 Ų | 143.8 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | -150.3 | 139 | 50.7 | -133.6 | 8.9 | 0 | 0 | 0 | 116.1 | |||||
| 162 | N | 26.2 | Very low | 25.6 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 56% | 0.561 | 75% | 0.752 | S | S | * | * | trans | -46.3 | 164.3 | 159.5 | -45.1 | 1.9 | 0 | 0 | 0 | 112.5 | ||||
| 163 | N | 29.9 | Very low | 25.7 | Very low | 147 Ų | 147 | 141.6 Ų | 141.6 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | cis | -132.9 | 142 | 23.3 | -63.5 | -65.6 | 0 | 0 | 0 | 114.6 | ||||
| 164 | D | 26.6 | Very low | 25.5 | Very low | 132 Ų | 132 | 141.8 Ų | 141.8 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | -73.8 | 171.2 | 157.2 | -45 | -91.5 | 0 | 0 | 0 | 112.1 | ||||
| 165 | N | 28.8 | Very low | 25.5 | Very low | 149 Ų | 149 | 141.3 Ų | 141.3 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | 160 | 147.4 | 115 | -82.8 | -61.1 | 0 | 0 | 0 | 111.2 | |||||
| 166 | D | 24.9 | Very low | 25.4 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 58% | 0.583 | 75% | 0.75 | S | S | * | * | cis | -163.6 | 137.4 | -43.3 | -173.4 | -17.4 | 0 | 0 | 0 | 105.2 | S168 | D166-S168 PolarHBondContact OD1-N 3.44Å; D166-S168 PolarHBondContact OD1-OG 2.78Å | ||
| 167 | T | 27.2 | Very low | 25.4 | Very low | 147 Ų | 147 | 142.5 Ų | 142.5 | 90% | 0.902 | 74% | 0.741 | S | S | * | * | trans | -154.6 | 63 | 154.4 | -14.6 | 0 | 0 | 0 | 0 | 111.8 | R169 | T167-R169 PolarHBondContact O-N 2.89Š| ||
| 168 | S | 23.9 | Very low | 25.4 | Very low | 94 Ų | 94 | 139 Ų | 139 | 66% | 0.657 | 72% | 0.72 | S | S | * | * | trans | -25.3 | 114.9 | 162.9 | -67.5 | 0 | 0 | 0 | 0 | 115.7 | D166 | D166-S168 PolarHBondContact OD1-N 3.44Å; D166-S168 PolarHBondContact OD1-OG 2.78Å | ||
| 169 | R | 25.3 | Very low | 25.4 | Very low | 210 Ų | 210 | 142.2 Ų | 142.2 | 79% | 0.792 | 73% | 0.726 | S | S | * | * | -176.5 | 126.5 | 112.9 | -101 | -170.8 | 160.5 | 106.3 | 5.2 | 115.8 | T167 | T167-R169 PolarHBondContact O-N 2.89Š| |||
| 170 | E | 23.4 | Very low | 25.5 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 67% | 0.668 | 73% | 0.728 | S | S | * | * | trans | 40.3 | 98.2 | 131.9 | -62 | 165 | 143.6 | 0 | 0 | 117.1 | ||||
| 171 | I | 22.1 | Very low | 25.7 | Very low | 156 Ų | 156 | 137.3 Ų | 137.3 | 80% | 0.8 | 71% | 0.714 | S | S | * | * | 78.9 | 141.7 | 72.3 | -65.2 | 164.8 | 0 | 0 | 0 | 112.6 | |||||
| 172 | L | 22.4 | Very low | 25.6 | Very low | 170 Ų | 170 | 137 Ų | 137 | 89% | 0.89 | 71% | 0.707 | S | S | * | * | trans | 75.6 | 135.4 | -160.4 | -51.2 | 169.1 | 0 | 0 | 0 | 112 | ||||
| 173 | S | 25.1 | Very low | 25.6 | Very low | 90 Ų | 90 | 136.1 Ų | 136.1 | 63% | 0.629 | 71% | 0.71 | S | S | * | * | cis | -139.7 | 158.4 | 6.7 | 44.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 174 | N | 24.8 | Very low | 25.5 | Very low | 158 Ų | 158 | 133.4 Ų | 133.4 | 85% | 0.845 | 69% | 0.694 | S | S | * | * | trans | -139.8 | 55 | 178.5 | -143.6 | 0.8 | 0 | 0 | 0 | 109.4 | R176 | N174-R176 PolarHBondContact O-N 3.33Å; N174-R176 VanDerWaalsContact O-N 3.12Å | ||
| 175 | D | 25.8 | Very low | 25.4 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 66% | 0.658 | 69% | 0.693 | S | S | * | * | trans | -68.9 | 101.9 | -172.1 | -67.9 | -51.2 | 0 | 0 | 0 | 111.9 | Y177 | D175-Y177 HydrophobicContact CB-CD2 4.24Å; D175-Y177 PolarHBondContact O-N 2.9Å | ||
| 176 | R | 23.1 | Very low | 25.2 | Very low | 243 Ų | 243 | 128.7 Ų | 128.7 | 92% | 0.917 | 68% | 0.683 | S | S | * | * | trans | -92.3 | 75.8 | 167.4 | -71.8 | -166.6 | -178.9 | -160 | 2.5 | 110.9 | N174 | N174-R176 PolarHBondContact O-N 3.33Å; N174-R176 VanDerWaalsContact O-N 3.12Å | ||
| 177 | Y | 26.6 | Very low | 25.3 | Very low | 146 Ų | 146 | 127.7 Ų | 127.7 | 57% | 0.573 | 69% | 0.685 | S | S | * | * | trans | -91.1 | 142.2 | 171.4 | -90.7 | -101.4 | 0 | 0 | 0 | 112.6 | D175 | D175-Y177 HydrophobicContact CB-CD2 4.24Å; D175-Y177 PolarHBondContact O-N 2.9Å | ||
| 178 | S | 28 | Very low | 25.3 | Very low | 54 Ų | 54 | 128 Ų | 128 | 38% | 0.378 | 68% | 0.68 | S | S | . | * | trans | 47.3 | 83.6 | 150.8 | -161.9 | 0 | 0 | 0 | 0 | 118.5 | S180 S181 | S178-S180 PolarHBondContact O-N 2.88Å; S178-S180 PolarHBondContact OG-OG 2.99Å; S178-S181 PolarHBondContact O-N 2.86Å; S178-S181 PolarHBondContact OG-OG 2.89Å | ||
| 179 | E | 25.2 | Very low | 25.3 | Very low | 196 Ų | 196 | 131.9 Ų | 131.9 | 92% | 0.916 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -6.1 | 171.9 | -149.4 | 163.4 | -136.9 | 0 | 0 | 113.4 | ||
| 180 | S | 26.2 | Very low | 25.3 | Very low | 95 Ų | 95 | 129.4 Ų | 129.4 | 66% | 0.664 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -8 | 175.9 | 54.6 | 0 | 0 | 0 | 0 | 114.6 | S178 | S178-S180 PolarHBondContact O-N 2.88Å; S178-S180 PolarHBondContact OG-OG 2.99Å |
| 181 | S | 26.4 | Very low | 25.4 | Very low | 68 Ų | 68 | 127 Ų | 127 | 48% | 0.476 | 69% | 0.685 | S | S | . | * | S | Bend | trans | -96 | -11.1 | -173.5 | -52.3 | 0 | 0 | 0 | 0 | 115 | S178 | S178-S181 PolarHBondContact O-N 2.86Å; S178-S181 PolarHBondContact OG-OG 2.89Å |
| 182 | H | 25.1 | Very low | 25.5 | Very low | 142 Ų | 142 | 125 Ų | 125 | 66% | 0.657 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -108.5 | -7.2 | -164.4 | -82 | -63.2 | 0 | 0 | 0 | 116.7 | I184 | H182-I184 VanDerWaalsContact C-N 3.31Å; H182-I184 PolarHBondContact O-N 3.43Å |
| 183 | S | 26.5 | Very low | 25.5 | Very low | 87 Ų | 87 | 124.6 Ų | 124.6 | 61% | 0.608 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -78.9 | -6.3 | 177.4 | 52 | 0 | 0 | 0 | 0 | 115.1 | ||
| 184 | I | 27.5 | Very low | 25.6 | Very low | 89 Ų | 89 | 127.7 Ų | 127.7 | 46% | 0.456 | 69% | 0.691 | S | S | . | * | S | Bend | trans | -101.3 | -17.6 | -175.3 | -58 | 174.7 | 0 | 0 | 0 | 112.2 | H182 S186 | H182-I184 VanDerWaalsContact C-N 3.31Å; H182-I184 PolarHBondContact O-N 3.43Å; I184-S186 VanDerWaalsContact C-N 3.27Å; I184-S186 PolarHBondContact O-N 2.71Å |
| 185 | S | 24.5 | Very low | 25.7 | Very low | 97 Ų | 97 | 128.2 Ų | 128.2 | 68% | 0.678 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -4.7 | -178.4 | -77.9 | 0 | 0 | 0 | 0 | 115.4 | ||
| 186 | S | 25.4 | Very low | 25.8 | Very low | 86 Ų | 86 | 127.2 Ų | 127.2 | 60% | 0.601 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -28.7 | -179.5 | 39.2 | 0 | 0 | 0 | 0 | 114.2 | I184 | I184-S186 VanDerWaalsContact C-N 3.27Å; I184-S186 PolarHBondContact O-N 2.71Å |
| 187 | S | 27.5 | Very low | 26 | Very low | 87 Ų | 87 | 123.1 Ų | 123.1 | 61% | 0.608 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -23.8 | -173.8 | -50.8 | 0 | 0 | 0 | 0 | 114.3 | K189 | S187-K189 PolarHBondContact O-N 3.03Š|
| 188 | L | 25.8 | Very low | 26.1 | Very low | 153 Ų | 153 | 125.2 Ų | 125.2 | 80% | 0.801 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 43.4 | -178.9 | -73.2 | 166.9 | 0 | 0 | 0 | 113.5 | ||
| 189 | K | 24.3 | Very low | 26.2 | Very low | 176 Ų | 176 | 127.6 Ų | 127.6 | 77% | 0.765 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.4 | -6.2 | -170.2 | -119.1 | -176.5 | 179 | -172.3 | 0 | 117.4 | S187 | S187-K189 PolarHBondContact O-N 3.03Š|
| 190 | I | 25.4 | Very low | 26.1 | Very low | 159 Ų | 159 | 127.5 Ų | 127.5 | 82% | 0.815 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -137.6 | 63.3 | -176.8 | -43 | -179.4 | 0 | 0 | 0 | 111.7 | ||
| 191 | S | 25.6 | Very low | 26.3 | Very low | 93 Ų | 93 | 129.5 Ų | 129.5 | 65% | 0.65 | 72% | 0.722 | S | S | * | * | trans | -159.6 | 62 | 161.3 | 39.1 | 0 | 0 | 0 | 0 | 111.7 | E299 | S191-E299 WeakPolarHBondContact CB-OE1 3.21Å; S191-E299 PolarHBondContact OG-OE1 3.2Å | ||
| 192 | S | 23.4 | Very low | 26.5 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 78% | 0.783 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -144.5 | 26.9 | 173.1 | 79.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 193 | L | 22.7 | Very low | 26.5 | Very low | 163 Ų | 163 | 139.5 Ų | 139.5 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | trans | -145.6 | 100.8 | 175.9 | -72.7 | 177.1 | 0 | 0 | 0 | 109.7 | ||||
| 194 | L | 28.4 | Very low | 26.7 | Very low | 155 Ų | 155 | 145 Ų | 145 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | trans | 167.5 | 93.4 | 137.8 | -92.4 | 164.4 | 0 | 0 | 0 | 111.4 | ||||
| 195 | N | 27.1 | Very low | 26.5 | Very low | 168 Ų | 168 | 145.1 Ų | 145.1 | 90% | 0.898 | 78% | 0.781 | S | S | * | * | trans | -165.2 | 89.2 | 141.5 | -115.1 | -58.7 | 0 | 0 | 0 | 107.9 | ||||
| 196 | P | 27.4 | Very low | 26.7 | Very low | 103 Ų | 103 | 148 Ų | 148 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | trans | -86.7 | 112.9 | -176.8 | 32.4 | -30.1 | 0 | 0 | 0 | 111 | ||||
| 197 | D | 26.4 | Very low | 26.9 | Very low | 157 Ų | 157 | 153.5 Ų | 153.5 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | -172.3 | 99.3 | 137.4 | -111.6 | -18.8 | 0 | 0 | 0 | 113.5 | ||||
| 198 | Q | 30.2 | Very low | 26.7 | Very low | 189 Ų | 189 | 155.2 Ų | 155.2 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | -176.2 | 154.7 | 109.6 | -96.6 | 176.8 | 25.9 | 0 | 0 | 111 | |||||
| 199 | S | 28.3 | Very low | 26.9 | Very low | 105 Ų | 105 | 152.2 Ų | 152.2 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -72.9 | 141.7 | -162.5 | 56.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 200 | K | 24.6 | Very low | 27.1 | Very low | 193 Ų | 193 | 150.8 Ų | 150.8 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | trans | 27 | 121.2 | 135.2 | -55.6 | 172.1 | -176.9 | 174 | 0 | 115.3 | ||||
| 201 | D | 29.7 | Very low | 27.3 | Very low | 138 Ų | 138 | 151.3 Ų | 151.3 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | -165.5 | 165.5 | 72.6 | -132.5 | -42.5 | 0 | 0 | 0 | 116.7 | |||||
| 202 | H | 31.5 | Very low | 27.5 | Very low | 175 Ų | 175 | 149.8 Ų | 149.8 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | 67.8 | 134.6 | 160.6 | -82.5 | 46.4 | 0 | 0 | 0 | 121.6 | ||||
| 203 | R | 24.1 | Very low | 27.7 | Very low | 244 Ų | 244 | 148.8 Ų | 148.8 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | trans | -88.9 | 143.2 | 177.5 | -61.3 | 172.4 | 172.1 | -178 | -4 | 112 | ||||
| 204 | Q | 30.9 | Very low | 27.9 | Very low | 204 Ų | 204 | 143.3 Ų | 143.3 | 95% | 0.953 | 75% | 0.745 | S | S | * | * | -165.6 | 149.1 | 123.5 | -110.6 | 171.2 | 8.2 | 0 | 0 | 111.7 | |||||
| 205 | A | 24 | Very low | 28.1 | Very low | 91 Ų | 91 | 140.5 Ų | 140.5 | 75% | 0.752 | 73% | 0.73 | S | S | * | * | trans | -102.7 | 144.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 206 | I | 27.4 | Very low | 28.3 | Very low | 157 Ų | 157 | 136.8 Ų | 136.8 | 81% | 0.805 | 71% | 0.709 | S | S | * | * | trans | -172.6 | 153.2 | 152.3 | -105.8 | 157.1 | 0 | 0 | 0 | 110.5 | ||||
| 207 | R | 29.7 | Very low | 28.3 | Very low | 202 Ų | 202 | 134.6 Ų | 134.6 | 76% | 0.762 | 70% | 0.697 | S | S | * | * | trans | 72.1 | 89.9 | 171.4 | -80.2 | 157.8 | -165.1 | -165.1 | 0.9 | 118.6 | T209 | R207-T209 PolarHBondContact O-N 3.45Š| ||
| 208 | S | 24.7 | Very low | 28.4 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 86% | 0.86 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | 64 | 147.3 | 54.3 | 0 | 0 | 0 | 0 | 113.3 | ||
| 209 | T | 29.7 | Very low | 28.4 | Very low | 90 Ų | 90 | 131 Ų | 131 | 55% | 0.552 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.7 | -19.7 | 163.6 | 53 | 0 | 0 | 0 | 0 | 112.3 | R207 K211 | R207-T209 PolarHBondContact O-N 3.45Å; T209-K211 PolarHBondContact O-N 3.19Å |
| 210 | Q | 28.2 | Very low | 28.2 | Very low | 146 Ų | 146 | 128.6 Ų | 128.6 | 68% | 0.682 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -82.5 | -5.7 | -178.4 | -71.7 | 179.3 | -33.8 | 0 | 0 | 115.2 | D213 A214 | Q210-D213 PolarHBondContact O-N 3.3Å; Q210-A214 VanDerWaalsContact O-CB 3.27Å; Q210-A214 WeakPolarHBondContact O-CB 3.48Å; Q210-A214 PolarHBondContact O-N 3.4Å |
| 211 | K | 28.9 | Very low | 28.2 | Very low | 170 Ų | 170 | 125.6 Ų | 125.6 | 74% | 0.739 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -76.8 | -31.7 | 179.5 | -157.4 | 173.2 | -175 | -178.8 | 0 | 112.8 | T209 I215 | T209-K211 PolarHBondContact O-N 3.19Å; K211-I215 WeakPolarHBondContact O-CG1 3.41Å; K211-I215 PolarHBondContact O-N 3.26Å |
| 212 | A | 30.8 | Very low | 28.1 | Very low | 61 Ų | 61 | 129.4 Ų | 129.4 | 50% | 0.504 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -67.8 | -45.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | A214 I215 N216 | A212-A214 VanDerWaalsContact C-N 3.3Å; A212-A214 PolarHBondContact O-N 2.93Å; A212-I215 PolarHBondContact O-N 3.41Å; A212-N216 WeakPolarHBondContact O-CB 3.4Å; A212-N216 PolarHBondContact O-N 2.7Å; A212-N216 PolarHBondContact O-ND2 3.37Å |
| 213 | D | 27.8 | Very low | 27.9 | Very low | 90 Ų | 90 | 127.8 Ų | 127.8 | 48% | 0.481 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -64.3 | -30.9 | 177.6 | -65.3 | -23.5 | 0 | 0 | 0 | 113 | Q210 N216 S217 | Q210-D213 PolarHBondContact O-N 3.3Å; D213-N216 CarbonylContact O-C 3.49Å; D213-N216 PolarHBondContact O-N 3.03Å; D213-S217 WeakPolarHBondContact O-CB 3.41Å; D213-S217 PolarHBondContact O-N 3.25Å; D213-S217 PolarHBondContact O-OG 3.05Å |
| 214 | A | 27.2 | Very low | 27.9 | Very low | 49 Ų | 49 | 119.4 Ų | 119.4 | 41% | 0.405 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -69.2 | -42.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q210 A212 N216 S217 L218 | Q210-A214 VanDerWaalsContact O-CB 3.27Å; Q210-A214 WeakPolarHBondContact O-CB 3.48Å; Q210-A214 PolarHBondContact O-N 3.4Å; A212-A214 VanDerWaalsContact C-N 3.3Å; A212-A214 PolarHBondContact O-N 2.93Å; A214-N216 VanDerWaalsContact C-N 3.33Å; A214-S217 PolarHBondContact O-N 2.78Å; A214-L218 PolarHBondContact O-N 2.94Å |
| 215 | I | 32.2 | Very low | 27.8 | Very low | 96 Ų | 96 | 113.2 Ų | 113.2 | 49% | 0.492 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65 | -39.8 | 174 | -67.8 | 169.9 | 0 | 0 | 0 | 110.2 | K211 A212 K219 | K211-I215 WeakPolarHBondContact O-CG1 3.41Å; K211-I215 PolarHBondContact O-N 3.26Å; A212-I215 PolarHBondContact O-N 3.41Å; I215-K219 WeakPolarHBondContact O-CG 3.13Å; I215-K219 PolarHBondContact O-N 3.47Å |
| 216 | N | 30.9 | Very low | 28 | Very low | 89 Ų | 89 | 113.6 Ų | 113.6 | 48% | 0.476 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71.3 | -26.6 | 174.2 | -69.8 | -24.5 | 0 | 0 | 0 | 113.3 | A212 D213 A214 S220 | A212-N216 WeakPolarHBondContact O-CB 3.4Å; A212-N216 PolarHBondContact O-N 2.7Å; A212-N216 PolarHBondContact O-ND2 3.37Å; D213-N216 CarbonylContact O-C 3.49Å; D213-N216 PolarHBondContact O-N 3.03Å; A214-N216 VanDerWaalsContact C-N 3.33Å; N216-S220 WeakPolarHBondContact O-CB 3.13Å; N216-S220 PolarHBondContact O-N 3.45Å; N216-S220 PolarHBondContact O-OG 2.81Å |
| 217 | S | 26.8 | Very low | 27.8 | Very low | 58 Ų | 58 | 111.2 Ų | 111.2 | 41% | 0.406 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -79.3 | -32.9 | 176.2 | -62.8 | 0 | 0 | 0 | 0 | 112.8 | D213 A214 S220 L221 | D213-S217 WeakPolarHBondContact O-CB 3.41Å; D213-S217 PolarHBondContact O-N 3.25Å; D213-S217 PolarHBondContact O-OG 3.05Å; A214-S217 PolarHBondContact O-N 2.78Å; S217-S220 WeakPolarHBondContact CA-OG 3.29Å; S217-S220 PolarHBondContact O-N 2.92Å; S217-S220 PolarHBondContact O-OG 2.56Å; S217-L221 WeakPolarHBondContact O-CB 3.41Å; S217-L221 WeakPolarHBondContact O-CG 3.3Å; S217-L221 PolarHBondContact O-N 2.91Å; S217-L221 VanDerWaalsContact O-N 3.09Å |
| 218 | L | 28.2 | Very low | 27.6 | Very low | 135 Ų | 135 | 106 Ų | 106 | 71% | 0.707 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.7 | -39.4 | 167.8 | -77.1 | 167.4 | 0 | 0 | 0 | 110.8 | A214 S220 L221 | A214-L218 PolarHBondContact O-N 2.94Å; L218-S220 VanDerWaalsContact C-N 3.28Å; L218-S220 PolarHBondContact O-N 3.14Å; L218-L221 PolarHBondContact O-N 2.71Å |
| 219 | K | 31.1 | Very low | 27.7 | Very low | 135 Ų | 135 | 106.2 Ų | 106.2 | 59% | 0.587 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -59.4 | -34.2 | 169 | -74.9 | 178.9 | 176.8 | -176.8 | 0 | 112.9 | I215 L223 | I215-K219 WeakPolarHBondContact O-CG 3.13Å; I215-K219 PolarHBondContact O-N 3.47Å; K219-L223 WeakPolarHBondContact O-CB 3.34Å; K219-L223 PolarHBondContact O-N 2.88Å |
| 220 | S | 24.8 | Very low | 27.6 | Very low | 55 Ų | 55 | 109.5 Ų | 109.5 | 39% | 0.385 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -87.5 | -14 | -178.3 | 71.8 | 0 | 0 | 0 | 0 | 115.9 | N216 S217 L218 S224 | N216-S220 WeakPolarHBondContact O-CB 3.13Å; N216-S220 PolarHBondContact O-N 3.45Å; N216-S220 PolarHBondContact O-OG 2.81Å; S217-S220 WeakPolarHBondContact CA-OG 3.29Å; S217-S220 PolarHBondContact O-N 2.92Å; S217-S220 PolarHBondContact O-OG 2.56Å; L218-S220 VanDerWaalsContact C-N 3.28Å; L218-S220 PolarHBondContact O-N 3.14Å; S220-S224 PolarHBondContact O-OG 3.03Å |
| 221 | L | 23.5 | Very low | 27.4 | Very low | 130 Ų | 130 | 107.9 Ų | 107.9 | 68% | 0.681 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -96.1 | -9.2 | -180 | -77.1 | 170.3 | 0 | 0 | 0 | 115 | S217 L218 | S217-L221 WeakPolarHBondContact O-CB 3.41Å; S217-L221 WeakPolarHBondContact O-CG 3.3Å; S217-L221 PolarHBondContact O-N 2.91Å; S217-L221 VanDerWaalsContact O-N 3.09Å; L218-L221 PolarHBondContact O-N 2.71Å |
| 222 | Y | 28.8 | Very low | 27.3 | Very low | 217 Ų | 217 | 104.7 Ų | 104.7 | 85% | 0.851 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -119 | -4.9 | 162.5 | -88.9 | -80.2 | 0 | 0 | 0 | 114.3 | ||
| 223 | L | 26.4 | Very low | 26.9 | Very low | 142 Ų | 142 | 107.3 Ų | 107.3 | 74% | 0.743 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -123.8 | 98.5 | 160.2 | -73.6 | 86.3 | 0 | 0 | 0 | 111.4 | K219 | K219-L223 WeakPolarHBondContact O-CB 3.34Å; K219-L223 PolarHBondContact O-N 2.88Å |
| 224 | S | 24.6 | Very low | 26.8 | Very low | 67 Ų | 67 | 106.2 Ų | 106.2 | 47% | 0.469 | 60% | 0.602 | S | S | . | * | trans | -147.5 | 143.5 | 161.1 | 16.5 | 0 | 0 | 0 | 0 | 107.4 | S220 | S220-S224 PolarHBondContact O-OG 3.03Š| ||
| 225 | D | 27.3 | Very low | 26.7 | Very low | 74 Ų | 74 | 107.2 Ų | 107.2 | 40% | 0.396 | 62% | 0.617 | S | S | . | * | S | Bend | cis | -86.6 | 159.4 | -1 | -71.9 | -16.5 | 0 | 0 | 0 | 113.3 | V1293 A1294 | D225-V1293 VanDerWaalsContact OD2-CB 3.27Å; D225-V1293 WeakPolarHBondContact OD2-CB 3.42Å; D225-V1293 WeakPolarHBondContact OD2-CG1 3.39Å; D225-A1294 HydrophobicContact CB-CB 3.88Å; D225-A1294 VanDerWaalsContact N-CB 3.28Å; D225-A1294 WeakPolarHBondContact OD2-CA 3.44Å; D225-A1294 PolarHBondContact OD2-N 3.26Å |
| 226 | T | 29.5 | Very low | 26.4 | Very low | 100 Ų | 100 | 106.7 Ų | 106.7 | 61% | 0.613 | 64% | 0.636 | S | S | * | * | cis | -154 | 144.9 | -25.2 | 22.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 227 | S | 22.7 | Very low | 26.2 | Very low | 106 Ų | 106 | 108.4 Ų | 108.4 | 74% | 0.741 | 65% | 0.649 | S | S | * | * | trans | -101.7 | 132.7 | 161.8 | 54.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 228 | S | 25 | Very low | 26.2 | Very low | 94 Ų | 94 | 114 Ų | 114 | 66% | 0.657 | 67% | 0.669 | S | S | * | * | trans | 153.7 | 112.4 | 133.3 | 54.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 229 | T | 27 | Very low | 25.9 | Very low | 127 Ų | 127 | 115.5 Ų | 115.5 | 78% | 0.779 | 68% | 0.677 | S | S | * | * | -174.7 | 97.6 | 118.6 | 21.8 | 0 | 0 | 0 | 0 | 106 | |||||
| 230 | H | 28.2 | Very low | 25.7 | Very low | 158 Ų | 158 | 116.4 Ų | 116.4 | 73% | 0.731 | 69% | 0.688 | S | S | * | * | 65.7 | 106.8 | 87 | -80.2 | -68.3 | 0 | 0 | 0 | 113.7 | |||||
| 231 | S | 24.3 | Very low | 25.7 | Very low | 113 Ų | 113 | 119.6 Ų | 119.6 | 79% | 0.79 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -53.1 | 146.6 | 150.7 | 39.2 | 0 | 0 | 0 | 0 | 110.7 | S233 | S231-S233 PolarHBondContact O-N 3.42Š|
| 232 | F | 26.1 | Very low | 25.9 | Very low | 102 Ų | 102 | 118.5 Ų | 118.5 | 45% | 0.447 | 71% | 0.714 | S | S | . | * | trans | -72.8 | 109 | -173.2 | -83.4 | -95.9 | 0 | 0 | 0 | 112.5 | S234 D476 N478 | F232-S234 PolarHBondContact O-N 3.06Å; F232-D476 HydrophobicContact CD2-CB 4.33Å; F232-D476 HydrophobicContact CE2-CB 3.58Å; F232-D476 VanDerWaalsContact CE2-OD1 3.28Å; F232-D476 WeakPolarHBondContact CE2-OD1 3.36Å; F232-D476 HydrophobicContact CZ-CB 3.76Å; F232-N478 HydrophobicContact CD1-CB 3.78Å; F232-N478 HydrophobicContact CE1-CB 3.62Å | ||
| 233 | S | 23.6 | Very low | 25.9 | Very low | 117 Ų | 117 | 117.3 Ų | 117.3 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | -80.6 | 104.9 | 152.6 | -176.3 | 0 | 0 | 0 | 0 | 108.9 | S231 | S231-S233 PolarHBondContact O-N 3.42Š| ||
| 234 | S | 25.6 | Very low | 25.9 | Very low | 66 Ų | 66 | 114.1 Ų | 114.1 | 46% | 0.462 | 72% | 0.717 | S | S | . | * | trans | -111.1 | 102.4 | 172.5 | 158.4 | 0 | 0 | 0 | 0 | 108.5 | F232 | F232-S234 PolarHBondContact O-N 3.06Š| ||
| 235 | G | 25 | Very low | 25.8 | Very low | 70 Ų | 70 | 123 Ų | 123 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | trans | -166.6 | 19.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | V237 | G235-V237 PolarHBondContact O-N 3.33Š| ||
| 236 | G | 24.4 | Very low | 25.7 | Very low | 86 Ų | 86 | 124.5 Ų | 124.5 | 89% | 0.887 | 76% | 0.757 | S | S | * | * | trans | -88.2 | 90.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 237 | V | 27.5 | Very low | 25.4 | Very low | 125 Ų | 125 | 124.3 Ų | 124.3 | 76% | 0.758 | 76% | 0.76 | S | S | * | * | trans | -104 | 115.8 | 167.2 | 176.8 | 0 | 0 | 0 | 0 | 109.6 | G235 | G235-V237 PolarHBondContact O-N 3.33Š| ||
| 238 | Q | 26.8 | Very low | 25.3 | Very low | 176 Ų | 176 | 127.5 Ų | 127.5 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | 24.4 | 107 | 153.6 | -65.6 | 161.9 | -61.2 | 0 | 0 | 118.4 | ||||
| 239 | N | 22.9 | Very low | 25.1 | Very low | 166 Ų | 166 | 127.4 Ų | 127.4 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | trans | -76.5 | 127 | 149.1 | -80.7 | -32.4 | 0 | 0 | 0 | 109.2 | ||||
| 240 | D | 25.9 | Very low | 24.9 | Very low | 153 Ų | 153 | 131 Ų | 131 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -154.5 | 118.4 | 155.7 | -118.6 | -31.4 | 0 | 0 | 0 | 111.3 | ||||
| 241 | S | 25.2 | Very low | 24.6 | Very low | 122 Ų | 122 | 129.2 Ų | 129.2 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | trans | 62.5 | 144.5 | -179.7 | 80.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 242 | S | 28 | Very low | 24.5 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | cis | -149 | -177 | 1.9 | 58.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 243 | H | 27.6 | Very low | 24.2 | Very low | 193 Ų | 193 | 135.1 Ų | 135.1 | 89% | 0.894 | 79% | 0.785 | S | S | * | * | trans | -70.5 | 166.6 | -174.1 | -45 | -62 | 0 | 0 | 0 | 114.1 | ||||
| 244 | G | 26.9 | Very low | 24.1 | Very low | 75 Ų | 75 | 134.9 Ų | 134.9 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | cis | -172 | -165.1 | 10.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 245 | R | 22 | Very low | 24.4 | Very low | 253 Ų | 253 | 136.6 Ų | 136.6 | 96% | 0.955 | 79% | 0.793 | S | S | * | * | trans | -80.9 | 156.3 | -173.8 | -62.1 | 169.6 | 174.2 | 166.9 | -4.8 | 112.1 | ||||
| 246 | S | 26.2 | Very low | 24.3 | Very low | 105 Ų | 105 | 140.3 Ų | 140.3 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | 178.5 | 142.8 | 78.4 | -166.7 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 247 | S | 21.9 | Very low | 24.5 | Very low | 97 Ų | 97 | 144.4 Ų | 144.4 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | 47.8 | 128.1 | 70.3 | -68 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 248 | H | 21.7 | Very low | 24.3 | Very low | 172 Ų | 172 | 145 Ų | 145 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | cis | -154.8 | 154.8 | 13.8 | -130.9 | -86.4 | 0 | 0 | 0 | 111.4 | ||||
| 249 | S | 20.7 | Very low | 24.4 | Very low | 92 Ų | 92 | 142.7 Ų | 142.7 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | trans | 41.8 | 124.7 | 156.6 | 58.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 250 | F | 22.7 | Very low | 24.5 | Very low | 203 Ų | 203 | 142.9 Ų | 142.9 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | -165.2 | 179.7 | 103.9 | -123.4 | -95 | 0 | 0 | 0 | 112.8 | |||||
| 251 | V | 21 | Very low | 24.6 | Very low | 120 Ų | 120 | 145.7 Ų | 145.7 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -101.8 | 142 | -167 | 174.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 252 | L | 23 | Very low | 24.8 | Very low | 161 Ų | 161 | 147.1 Ų | 147.1 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | trans | -176.2 | 173.2 | 134.7 | -100.3 | 168.1 | 0 | 0 | 0 | 114.4 | ||||
| 253 | K | 20.4 | Very low | 24.5 | Very low | 179 Ų | 179 | 144.6 Ų | 144.6 | 78% | 0.778 | 76% | 0.762 | S | S | * | * | trans | -91.2 | 149.6 | -159 | -56.6 | 168.5 | 175.9 | 175.6 | 0 | 115.9 | ||||
| 254 | S | 19.9 | Very low | 24.5 | Very low | 111 Ų | 111 | 146.8 Ų | 146.8 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | 66 | 167 | 133.7 | -74.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 255 | P | 32 | Very low | 24.3 | Very low | 103 Ų | 103 | 151 Ų | 151 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | cis | -137.2 | -170.7 | -28.8 | 37.8 | -19.3 | 0 | 0 | 0 | 114.4 | ||||
| 256 | E | 23.8 | Very low | 24.5 | Very low | 148 Ų | 148 | 147.6 Ų | 147.6 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | trans | 71.4 | 153.4 | 159.7 | -71.6 | 177.3 | -165.6 | 0 | 0 | 117.9 | ||||
| 257 | K | 28.8 | Very low | 24.6 | Very low | 172 Ų | 172 | 147.4 Ų | 147.4 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | cis | -147.1 | 166.9 | 11.5 | -134.7 | 149.3 | -173.4 | 145.9 | 0 | 112.9 | ||||
| 258 | L | 24 | Very low | 24.7 | Very low | 138 Ų | 138 | 151.3 Ų | 151.3 | 72% | 0.723 | 76% | 0.758 | S | S | * | * | trans | -38.3 | 160.5 | 173.3 | -89.6 | 58.7 | 0 | 0 | 0 | 116.3 | ||||
| 259 | N | 28 | Very low | 24.9 | Very low | 127 Ų | 127 | 154.9 Ų | 154.9 | 68% | 0.679 | 77% | 0.765 | S | S | * | * | cis | -161.4 | 130.3 | 45.7 | -137.2 | -13.4 | 0 | 0 | 0 | 117.4 | ||||
| 260 | K | 25.3 | Very low | 25.1 | Very low | 170 Ų | 170 | 159.9 Ų | 159.9 | 74% | 0.739 | 77% | 0.771 | S | S | * | * | trans | 19 | 126.5 | 146.9 | -61.6 | 173.5 | -176.6 | -179.6 | 0 | 121.5 | ||||
| 261 | K | 27.6 | Very low | 25.2 | Very low | 212 Ų | 212 | 160.3 Ų | 160.3 | 92% | 0.922 | 77% | 0.773 | S | S | * | * | -136.8 | 151.8 | 112.8 | -146.6 | 175.8 | -175.4 | -176.3 | 0 | 110.4 | |||||
| 262 | I | 28.4 | Very low | 25.5 | Very low | 151 Ų | 151 | 161.2 Ų | 161.2 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | trans | -102.5 | 147.8 | -174.3 | -58.6 | 154.9 | 0 | 0 | 0 | 107.7 | ||||
| 263 | G | 23.2 | Very low | 25.5 | Very low | 55 Ų | 55 | 157.2 Ų | 157.2 | 57% | 0.567 | 78% | 0.776 | S | S | * | * | cis | 143.2 | 107.4 | -6.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 264 | Y | 26.8 | Very low | 25.9 | Very low | 239 Ų | 239 | 153.8 Ų | 153.8 | 94% | 0.937 | 78% | 0.775 | S | S | * | * | trans | -134.8 | 121.3 | 161.8 | -83 | -76.8 | 0 | 0 | 0 | 107.8 | ||||
| 265 | N | 23.7 | Very low | 26.4 | Very low | 163 Ų | 163 | 155.5 Ų | 155.5 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | trans | -106.7 | 135.5 | 178.1 | -82.9 | -24.8 | 0 | 0 | 0 | 109.8 | ||||
| 266 | Y | 24.8 | Very low | 26.2 | Very low | 181 Ų | 181 | 158.5 Ų | 158.5 | 71% | 0.71 | 79% | 0.786 | S | S | * | * | trans | -113.2 | 143.3 | 144 | -101.2 | -84.3 | 0 | 0 | 0 | 108.5 | R365 | Y266-R365 PolarHBondContact OH-NH1 3.45Š| ||
| 267 | P | 29 | Very low | 26.6 | Very low | 102 Ų | 102 | 157 Ų | 157 | 66% | 0.662 | 79% | 0.792 | S | S | * | * | trans | -79.3 | 130.9 | -165.3 | -14.2 | 31.1 | 0 | 0 | 0 | 113 | W269 | P267-W269 PolarHBondContact O-N 3.18Š| ||
| 268 | K | 23.6 | Very low | 26.5 | Very low | 178 Ų | 178 | 156.7 Ų | 156.7 | 77% | 0.774 | 79% | 0.793 | S | S | * | * | trans | -74.4 | 113.2 | 163.2 | -76 | -172.9 | 173.8 | -175.3 | 0 | 109.8 | Y270 | K268-Y270 HydrophobicContact CB-CD2 4.44Å; K268-Y270 HydrophobicContact CB-CE2 4.46Å; K268-Y270 HydrophobicContact CD-CE2 4.34Å; K268-Y270 PolarHBondContact O-N 3.04Å | ||
| 269 | W | 26.4 | Very low | 26.7 | Very low | 248 Ų | 248 | 155.7 Ų | 155.7 | 94% | 0.939 | 80% | 0.796 | S | S | * | * | trans | -78.5 | 95.8 | 168.8 | -72.9 | -23.9 | 0 | 0 | 0 | 111.5 | P267 | P267-W269 PolarHBondContact O-N 3.18Š| ||
| 270 | Y | 23.8 | Very low | 26.6 | Very low | 197 Ų | 197 | 156.6 Ų | 156.6 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -88.4 | 124.6 | 156.3 | -78.1 | -77.7 | 0 | 0 | 0 | 109.4 | K268 | K268-Y270 HydrophobicContact CB-CD2 4.44Å; K268-Y270 HydrophobicContact CB-CE2 4.46Å; K268-Y270 HydrophobicContact CD-CE2 4.34Å; K268-Y270 PolarHBondContact O-N 3.04Å | ||
| 271 | K | 26.3 | Very low | 26.7 | Very low | 212 Ų | 212 | 155.7 Ų | 155.7 | 92% | 0.922 | 80% | 0.801 | S | S | * | * | trans | -110 | 100.8 | 177.9 | -137.5 | 175.8 | -171.3 | 175.3 | 0 | 109.9 | ||||
| 272 | T | 25.8 | Very low | 27 | Very low | 138 Ų | 138 | 151.7 Ų | 151.7 | 85% | 0.847 | 80% | 0.8 | S | S | * | * | trans | -128.8 | 123.9 | 169.2 | 50.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 273 | G | 24.8 | Very low | 26.8 | Very low | 78 Ų | 78 | 154.3 Ų | 154.3 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -113 | 152.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 274 | S | 28.5 | Very low | 27.3 | Very low | 106 Ų | 106 | 154.5 Ų | 154.5 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | trans | -176 | 149.2 | 166.9 | -100.8 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 275 | D | 29.2 | Very low | 27.7 | Very low | 148 Ų | 148 | 150.2 Ų | 150.2 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | cis | -145.8 | 170.9 | 1 | -93.1 | -33.5 | 0 | 0 | 0 | 111.5 | ||||
| 276 | N | 27.9 | Very low | 28.2 | Very low | 165 Ų | 165 | 149 Ų | 149 | 88% | 0.882 | 80% | 0.798 | S | S | * | * | trans | -74.7 | 165.1 | 178.9 | -64 | -19.4 | 0 | 0 | 0 | 114.2 | ||||
| 277 | S | 31.8 | Very low | 28.8 | Very low | 117 Ų | 117 | 147.2 Ų | 147.2 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -124.8 | 141.6 | 147 | 58.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 278 | H | 27.5 | Very low | 29.1 | Very low | 166 Ų | 166 | 149.3 Ų | 149.3 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | -72.3 | 175.4 | 178.3 | -114.6 | -36.9 | 0 | 0 | 0 | 111.8 | ||||
| 279 | C | 27.5 | Very low | 29.5 | Very low | 116 Ų | 116 | 147.8 Ų | 147.8 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | cis | -138.8 | 174.5 | 35.5 | -79.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 280 | M | 25.9 | Very low | 29.8 | Very low | 146 Ų | 146 | 143.2 Ų | 143.2 | 72% | 0.719 | 80% | 0.8 | S | S | * | * | trans | -71.4 | -179.1 | 154.1 | -58.3 | -56 | -159.2 | 0 | 0 | 109.2 | ||||
| 281 | D | 28.5 | Very low | 30.3 | Very low | 151 Ų | 151 | 142.8 Ų | 142.8 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | cis | -147.5 | 155.4 | 28.6 | -54 | -71.1 | 0 | 0 | 0 | 112.2 | ||||
| 282 | S | 32.8 | Very low | 30.4 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | 167.5 | 124 | 130.1 | -91.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 283 | E | 25.9 | Very low | 30.4 | Very low | 206 Ų | 206 | 144.6 Ų | 144.6 | 96% | 0.963 | 81% | 0.807 | S | S | * | * | trans | -96 | 164.5 | 167.1 | -65.3 | 171.4 | 141.9 | 0 | 0 | 110 | ||||
| 284 | G | 33.3 | Very low | 30.5 | Very low | 59 Ų | 59 | 149.6 Ų | 149.6 | 61% | 0.608 | 81% | 0.81 | S | S | * | * | trans | 158.9 | 99.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 285 | D | 34.3 | Very low | 30.4 | Very low | 149 Ų | 149 | 154.2 Ų | 154.2 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | 44.6 | 137.9 | 123.3 | -39.6 | -11.3 | 0 | 0 | 0 | 118.8 | |||||
| 286 | D | 34.7 | Very low | 30.3 | Very low | 138 Ų | 138 | 156.5 Ų | 156.5 | 74% | 0.738 | 83% | 0.826 | S | S | * | * | cis | -168.8 | -171.7 | -2.8 | -108.9 | -21.6 | 0 | 0 | 0 | 109.4 | ||||
| 287 | D | 38.2 | Very low | 30.3 | Very low | 143 Ų | 143 | 157.7 Ų | 157.7 | 77% | 0.765 | 83% | 0.826 | S | S | * | * | trans | 75.9 | 84.8 | 158.8 | -60.2 | -23.3 | 0 | 0 | 0 | 121.2 | ||||
| 288 | D | 33.6 | Very low | 30.2 | Very low | 146 Ų | 146 | 157.4 Ų | 157.4 | 78% | 0.781 | 82% | 0.819 | S | S | * | * | 54.2 | 154 | 114.9 | -67.3 | -8.3 | 0 | 0 | 0 | 126.5 | |||||
| 289 | D | 33.4 | Very low | 30.3 | Very low | 146 Ų | 146 | 156.8 Ų | 156.8 | 78% | 0.781 | 82% | 0.816 | S | S | * | * | trans | 60.8 | 110.2 | 162 | -63.3 | -18.7 | 0 | 0 | 0 | 120.8 | ||||
| 290 | D | 33 | Very low | 30.5 | Very low | 151 Ų | 151 | 156.5 Ų | 156.5 | 81% | 0.807 | 81% | 0.807 | S | S | * | * | 178.7 | 158.1 | 81.4 | -123.3 | -30.3 | 0 | 0 | 0 | 115.5 | |||||
| 291 | E | 33.4 | Very low | 30.9 | Very low | 188 Ų | 188 | 156.3 Ų | 156.3 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | trans | 64.9 | 137.1 | 165.8 | -63.3 | -169.1 | 161.2 | 0 | 0 | 123.2 | ||||
| 292 | E | 27.9 | Very low | 31.3 | Very low | 194 Ų | 194 | 154.9 Ų | 154.9 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | trans | -97.3 | 122.2 | -178.7 | -53.3 | 172.6 | 129.5 | 0 | 0 | 112.8 | ||||
| 293 | E | 26.7 | Very low | 31.7 | Very low | 194 Ų | 194 | 155.2 Ų | 155.2 | 91% | 0.907 | 78% | 0.784 | S | S | * | * | trans | -174 | 160.7 | 146.5 | -110.1 | 173.1 | -163.3 | 0 | 0 | 112.6 | ||||
| 294 | E | 26.9 | Very low | 32.4 | Very low | 184 Ų | 184 | 151.9 Ų | 151.9 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | 68.3 | 64.2 | 173.9 | -58.4 | -161.2 | 167.7 | 0 | 0 | 120.8 | ||||
| 295 | E | 26.5 | Very low | 32.6 | Very low | 203 Ų | 203 | 152.6 Ų | 152.6 | 95% | 0.949 | 76% | 0.764 | S | S | * | * | trans | -122.9 | 85.5 | 150.4 | -83.2 | -158.8 | 173.7 | 0 | 0 | 112.6 | ||||
| 296 | E | 27.7 | Very low | 32.8 | Very low | 196 Ų | 196 | 148.7 Ų | 148.7 | 92% | 0.916 | 75% | 0.748 | S | S | * | * | trans | -167.2 | 76.2 | 151.1 | -133.6 | -172.1 | -119.7 | 0 | 0 | 113.2 | ||||
| 297 | E | 27.2 | Very low | 33.2 | Very low | 189 Ų | 189 | 145 Ų | 145 | 88% | 0.883 | 73% | 0.734 | S | S | * | * | trans | -160.3 | 154.8 | 158.2 | -126.5 | -179.4 | -130.6 | 0 | 0 | 113.6 | ||||
| 298 | V | 30.1 | Very low | 33.5 | Very low | 112 Ų | 112 | 141.9 Ų | 141.9 | 68% | 0.679 | 71% | 0.714 | S | S | * | * | trans | 79.2 | 91.7 | 175.6 | -166.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 299 | E | 30 | Very low | 33.9 | Very low | 153 Ų | 153 | 139.3 Ų | 139.3 | 72% | 0.715 | 70% | 0.697 | S | S | * | * | trans | -172.2 | 91.2 | 135.2 | -110.3 | -167.1 | 178.7 | 0 | 0 | 110.9 | S191 | S191-E299 WeakPolarHBondContact CB-OE1 3.21Å; S191-E299 PolarHBondContact OG-OE1 3.2Å | ||
| 300 | D | 29.9 | Very low | 34.9 | Very low | 109 Ų | 109 | 136 Ų | 136 | 58% | 0.583 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -173.1 | 21.7 | 159.8 | -134 | 13.1 | 0 | 0 | 0 | 117.5 | K1201 | D300-K1201 IonicContact OD2-NZ 3.09Å; D300-K1201 PolarHBondContact OD2-NZ 2.84Å |
| 301 | E | 35.9 | Very low | 35.9 | Very low | 142 Ų | 142 | 131.8 Ų | 131.8 | 66% | 0.664 | 66% | 0.662 | S | S | * | * | trans | -126.6 | 33.8 | -164.9 | -57.6 | -148.4 | 141.2 | 0 | 0 | 119.2 | R1204 | E301-R1204 IonicContact OE1-CZ 2.68Å; E301-R1204 VanDerWaalsContact OE1-CZ 3.23Å; E301-R1204 IonicContact OE1-NH1 3.96Å; E301-R1204 PolarHBondContact OE1-NH1 2.71Å; E301-R1204 IonicContact OE1-NH2 2.7Å; E301-R1204 PolarHBondContact OE1-NH2 3.06Å | ||
| 302 | E | 36.8 | Very low | 37.1 | Very low | 122 Ų | 122 | 129 Ų | 129 | 57% | 0.57 | 64% | 0.644 | S | S | * | * | trans | -130.5 | 25.3 | 172.2 | -74.4 | -164.8 | 161.8 | 0 | 0 | 115.6 | K1635 | E302-K1635 IonicContact OE1-NZ 2.75Å; E302-K1635 PolarHBondContact OE1-NZ 3.48Å; E302-K1635 VanDerWaalsContact OE1-NZ 3.16Å | ||
| 303 | L | 41.1 | Very low | 38.8 | Very low | 136 Ų | 136 | 124.2 Ų | 124.2 | 71% | 0.712 | 62% | 0.624 | S | S | * | * | trans | -86 | -21.6 | 178.3 | -94.5 | 165.5 | 0 | 0 | 0 | 115.6 | S305 S306 | L303-S305 PolarHBondContact O-N 2.94Å; L303-S306 PolarHBondContact O-OG 3.24Å | ||
| 304 | E | 40.8 | Very low | 41 | Very low | 135 Ų | 135 | 116.6 Ų | 116.6 | 63% | 0.631 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -23.9 | -162 | -64.9 | -175.2 | 150.9 | 0 | 0 | 115.3 | ||
| 305 | S | 36.6 | Very low | 43.5 | Very low | 74 Ų | 74 | 108.7 Ų | 108.7 | 52% | 0.517 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.7 | -27.5 | 179.6 | 55.3 | 0 | 0 | 0 | 0 | 114.3 | L303 S307 H308 E309 | L303-S305 PolarHBondContact O-N 2.94Å; S305-S307 PolarHBondContact O-N 2.82Å; S305-H308 PolarHBondContact O-N 3.02Å; S305-E309 PolarHBondContact O-N 3.24Å |
| 306 | S | 39.4 | Very low | 46 | Very low | 67 Ų | 67 | 103 Ų | 103 | 47% | 0.469 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.7 | -23.8 | -163.7 | 63.5 | 0 | 0 | 0 | 0 | 115.7 | L303 | L303-S306 PolarHBondContact O-OG 3.24Å |
| 307 | S | 42.3 | Very low | 48.4 | Very low | 62 Ų | 62 | 100.2 Ų | 100.2 | 43% | 0.434 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -77.8 | -34.6 | 177 | 62.1 | 0 | 0 | 0 | 0 | 112.9 | S305 I311 | S305-S307 PolarHBondContact O-N 2.82Å; S307-I311 WeakPolarHBondContact O-CG1 3.38Å |
| 308 | H | 43.6 | Very low | 51.1 | Low | 76 Ų | 76 | 91.4 Ų | 91.4 | 35% | 0.352 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -81.2 | -37.3 | -174.8 | -169.5 | -116.7 | 0 | 0 | 0 | 112.1 | S305 R312 R1214 | S305-H308 PolarHBondContact O-N 3.02Å; H308-R312 PolarHBondContact CE1-NE 3.44Å; H308-R312 VanDerWaalsContact CE1-NE 3.34Å; H308-R312 PolarHBondContact O-N 2.8Å; H308-R1214 PolarHBondContact CD2-NH2 3.48Å; H308-R1214 PolarHBondContact NE2-NH2 3.44Å |
| 309 | E | 42.6 | Very low | 53.7 | Low | 93 Ų | 93 | 86.2 Ų | 86.2 | 44% | 0.435 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -56.3 | -54.2 | 168.8 | -125.7 | 65.1 | -126.8 | 0 | 0 | 110.4 | S305 I311 R312 D313 | S305-E309 PolarHBondContact O-N 3.24Å; E309-I311 PolarHBondContact O-N 3.16Å; E309-R312 WeakPolarHBondContact O-CA 3.1Å; E309-R312 WeakPolarHBondContact O-CB 3.42Å; E309-R312 PolarHBondContact O-N 3.5Å; E309-D313 PolarHBondContact O-N 3.14Å |
| 310 | S | 54.5 | Low | 56.1 | Low | 76 Ų | 76 | 84.6 Ų | 84.6 | 53% | 0.531 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.9 | -26.5 | -174.2 | -175.5 | 0 | 0 | 0 | 0 | 114.8 | A314 | S310-A314 PolarHBondContact O-N 2.85Å |
| 311 | I | 53.4 | Low | 58.7 | Low | 62 Ų | 62 | 82.8 Ų | 82.8 | 32% | 0.318 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -86.3 | -31.7 | 176.7 | -61.3 | 169.3 | 0 | 0 | 0 | 111 | S307 E309 F315 | S307-I311 WeakPolarHBondContact O-CG1 3.38Å; E309-I311 PolarHBondContact O-N 3.16Å; I311-F315 PolarHBondContact O-N 3.24Å; I311-F315 VanDerWaalsContact O-N 3.11Å |
| 312 | R | 59.2 | Low | 60.8 | Low | 131 Ų | 131 | 81.2 Ų | 81.2 | 49% | 0.494 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.7 | -44.6 | 171.6 | -77.6 | 177.2 | 161.5 | -171.5 | -4.1 | 111.2 | H308 E309 F315 W316 | H308-R312 PolarHBondContact CE1-NE 3.44Å; H308-R312 VanDerWaalsContact CE1-NE 3.34Å; H308-R312 PolarHBondContact O-N 2.8Å; E309-R312 WeakPolarHBondContact O-CA 3.1Å; E309-R312 WeakPolarHBondContact O-CB 3.42Å; E309-R312 PolarHBondContact O-N 3.5Å; R312-F315 PolarHBondContact O-N 3.16Å; R312-W316 PolarHBondContact O-N 3.19Å |
| 313 | D | 64.4 | Low | 63.1 | Low | 92 Ų | 92 | 77.6 Ų | 77.6 | 49% | 0.492 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -58.8 | -49.1 | 177.6 | -66.9 | -23.4 | 0 | 0 | 0 | 110.9 | E309 F315 W316 E317 | E309-D313 PolarHBondContact O-N 3.14Å; D313-F315 VanDerWaalsContact C-N 3.35Å; D313-F315 PolarHBondContact O-N 3.27Å; D313-W316 PolarHBondContact O-N 3.2Å; D313-E317 PolarHBondContact O-N 2.92Å |
| 314 | A | 71.9 | Confident | 65.1 | Low | 34 Ų | 34 | 76.6 Ų | 76.6 | 28% | 0.281 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60 | -41.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S310 E317 S318 L333 | S310-A314 PolarHBondContact O-N 2.85Å; A314-E317 PolarHBondContact O-N 3.24Å; A314-S318 WeakPolarHBondContact O-CB 3.48Å; A314-S318 PolarHBondContact O-N 3.36Å; A314-S318 PolarHBondContact O-OG 2.92Å; A314-S318 VanDerWaalsContact O-OG 3.04Å; A314-L333 HydrophobicContact CB-CD2 3.71Å |
| 315 | F | 80.3 | Confident | 67.2 | Low | 18 Ų | 18 | 75.1 Ų | 75.1 | 8% | 0.079 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.2 | -45 | 174.7 | 169.4 | -98.2 | 0 | 0 | 0 | 112.1 | I311 R312 D313 S318 I319 L334 N337 V338 | I311-F315 PolarHBondContact O-N 3.24Å; I311-F315 VanDerWaalsContact O-N 3.11Å; R312-F315 PolarHBondContact O-N 3.16Å; D313-F315 VanDerWaalsContact C-N 3.35Å; D313-F315 PolarHBondContact O-N 3.27Å; F315-S318 PolarHBondContact O-N 2.97Å; F315-I319 HydrophobicContact CD2-CD1 4.42Å; F315-I319 HydrophobicContact CE1-CD1 3.79Å; F315-I319 HydrophobicContact CE1-CG1 4.48Å; F315-I319 HydrophobicContact CE2-CD1 3.63Å; F315-I319 HydrophobicContact CE2-CG1 4.17Å; F315-I319 HydrophobicContact CZ-CD1 3.28Å; F315-I319 HydrophobicContact CZ-CG1 4.17Å; F315-I319 WeakPolarHBondContact O-CG1 3.44Å; F315-I319 PolarHBondContact O-N 2.97Å; F315-L334 HydrophobicContact CD2-CD2 3.91Å; F315-L334 HydrophobicContact CE2-CD2 4.08Å; F315-N337 HydrophobicContact CD2-CB 3.57Å; F315-N337 HydrophobicContact CE2-CB 3.43Å; F315-N337 VanDerWaalsContact CE2-CB 3.43Å; F315-N337 HydrophobicContact CG-CB 4.49Å; F315-N337 HydrophobicContact CZ-CB 4.26Å; F315-V338 HydrophobicContact CE2-CG2 4.37Å |
| 316 | W | 77.9 | Confident | 69.6 | Low | 85 Ų | 85 | 72.8 Ų | 72.8 | 32% | 0.322 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67 | -39.9 | 177.2 | -71 | 120 | 0 | 0 | 0 | 112.3 | R312 D313 S318 I319 L320 L361 L385 H430 | R312-W316 PolarHBondContact O-N 3.19Å; D313-W316 PolarHBondContact O-N 3.2Å; W316-S318 VanDerWaalsContact C-N 3.34Å; W316-S318 PolarHBondContact O-N 2.82Å; W316-I319 PolarHBondContact O-N 2.68Å; W316-L320 WeakPolarHBondContact O-CB 3.48Å; W316-L320 VanDerWaalsContact O-CG 3.22Å; W316-L320 WeakPolarHBondContact O-CG 3.36Å; W316-L320 PolarHBondContact O-N 3.03Å; W316-L361 HydrophobicContact CE3-CD2 4.25Å; W316-L361 HydrophobicContact CZ3-CD1 4.32Å; W316-L361 HydrophobicContact CZ3-CD2 3.89Å; W316-L385 HydrophobicContact CH2-CD2 3.64Å; W316-L385 HydrophobicContact CH2-CG 4.29Å; W316-L385 HydrophobicContact CZ3-CD2 3.74Å; W316-H430 AromaticContact CH2-ND1 3.6Å |
| 317 | E | 78.5 | Confident | 71.9 | Confident | 137 Ų | 137 | 72.9 Ų | 72.9 | 64% | 0.64 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -59.8 | -42.9 | 171.9 | -72.8 | -161.5 | 156.2 | 0 | 0 | 111.9 | D313 A314 L320 K321 | D313-E317 PolarHBondContact O-N 2.92Å; A314-E317 PolarHBondContact O-N 3.24Å; E317-L320 PolarHBondContact O-N 3.34Å; E317-K321 WeakPolarHBondContact O-CG 3.4Å; E317-K321 PolarHBondContact O-N 2.92Å |
| 318 | S | 83.8 | Confident | 73.9 | Confident | 4 Ų | 4 | 75.3 Ų | 75.3 | 3% | 0.028 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.5 | -36 | 177.7 | -64.6 | 0 | 0 | 0 | 0 | 113.3 | A314 F315 W316 R326 D330 L334 | A314-S318 WeakPolarHBondContact O-CB 3.48Å; A314-S318 PolarHBondContact O-N 3.36Å; A314-S318 PolarHBondContact O-OG 2.92Å; A314-S318 VanDerWaalsContact O-OG 3.04Å; F315-S318 PolarHBondContact O-N 2.97Å; W316-S318 VanDerWaalsContact C-N 3.34Å; W316-S318 PolarHBondContact O-N 2.82Å; S318-R326 PolarHBondContact O-NE 3.36Å; S318-D330 WeakPolarHBondContact CB-OD1 3.47Å; S318-D330 PolarHBondContact OG-OD1 3.35Å; S318-L334 VanDerWaalsContact CB-CD2 3.49Å |
| 319 | I | 84.5 | Confident | 75.7 | Confident | 3 Ų | 3 | 79.7 Ų | 79.7 | 2% | 0.015 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -74 | -41.1 | 176 | -70.8 | -156.6 | 0 | 0 | 0 | 112 | F315 W316 K321 R326 L334 L361 L385 L432 | F315-I319 HydrophobicContact CD2-CD1 4.42Å; F315-I319 HydrophobicContact CE1-CD1 3.79Å; F315-I319 HydrophobicContact CE1-CG1 4.48Å; F315-I319 HydrophobicContact CE2-CD1 3.63Å; F315-I319 HydrophobicContact CE2-CG1 4.17Å; F315-I319 HydrophobicContact CZ-CD1 3.28Å; F315-I319 HydrophobicContact CZ-CG1 4.17Å; F315-I319 WeakPolarHBondContact O-CG1 3.44Å; F315-I319 PolarHBondContact O-N 2.97Å; W316-I319 PolarHBondContact O-N 2.68Å; I319-K321 VanDerWaalsContact C-N 3.25Å; I319-K321 PolarHBondContact O-N 2.79Å; I319-K321 VanDerWaalsContact O-O 3.11Å; I319-R326 PolarHBondContact O-NH2 2.84Å; I319-L334 HydrophobicContact CB-CD2 4.41Å; I319-L334 HydrophobicContact CD1-CD2 4.11Å; I319-L334 HydrophobicContact CG1-CD1 3.96Å; I319-L334 HydrophobicContact CG1-CD2 3.27Å; I319-L334 HydrophobicContact CG1-CG 4.24Å; I319-L361 HydrophobicContact CG2-CB 3.58Å; I319-L361 HydrophobicContact CG2-CD1 4.27Å; I319-L361 HydrophobicContact CG2-CD2 3.95Å; I319-L361 HydrophobicContact CG2-CG 4.15Å; I319-L385 HydrophobicContact CD1-CD2 4.4Å; I319-L432 HydrophobicContact CD1-CD2 3.86Å; I319-L432 HydrophobicContact CG2-CD2 4.31Å |
| 320 | L | 82 | Confident | 77.8 | Confident | 118 Ų | 118 | 75.8 Ų | 75.8 | 62% | 0.618 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -72.3 | -16.3 | -177.7 | -69.7 | 169.5 | 0 | 0 | 0 | 113.5 | W316 E317 L361 | W316-L320 WeakPolarHBondContact O-CB 3.48Å; W316-L320 VanDerWaalsContact O-CG 3.22Å; W316-L320 WeakPolarHBondContact O-CG 3.36Å; W316-L320 PolarHBondContact O-N 3.03Å; E317-L320 PolarHBondContact O-N 3.34Å; L320-L361 HydrophobicContact CD2-CD2 4.02Å |
| 321 | K | 83.4 | Confident | 79.4 | Confident | 72 Ų | 72 | 72.5 Ų | 72.5 | 31% | 0.313 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -62.1 | 139.2 | 163.5 | -73.2 | 166.3 | -171.1 | 174.6 | 0 | 110.6 | E317 I319 R326 D330 | E317-K321 WeakPolarHBondContact O-CG 3.4Å; E317-K321 PolarHBondContact O-N 2.92Å; I319-K321 VanDerWaalsContact C-N 3.25Å; I319-K321 PolarHBondContact O-N 2.79Å; I319-K321 VanDerWaalsContact O-O 3.11Å; K321-R326 HydrophobicContact CB-CG 3.91Å; K321-R326 PolarHBondContact O-NE 2.79Å; K321-R326 PolarHBondContact O-NH2 2.8Å; K321-D330 IonicContact NZ-OD1 3.61Å; K321-D330 PolarHBondContact NZ-OD1 2.91Å; K321-D330 IonicContact NZ-OD2 2.67Å; K321-D330 PolarHBondContact NZ-OD2 2.92Å |
| 322 | L | 79.9 | Confident | 80.8 | Confident | 109 Ų | 109 | 72.4 Ų | 72.4 | 57% | 0.571 | 37% | 0.37 | S | S | * | . | trans | -60.9 | 149.6 | 169.8 | -66.3 | 173.8 | 0 | 0 | 0 | 110.1 | S324 D325 R326 | L322-S324 PolarHBondContact O-N 2.81Å; L322-S324 VanDerWaalsContact O-N 3.07Å; L322-D325 HydrophobicContact CB-CB 4.49Å; L322-D325 PolarHBondContact O-N 3.17Å; L322-R326 PolarHBondContact O-N 2.9Å | ||
| 323 | P | 85.5 | Confident | 82 | Confident | 45 Ų | 45 | 68 Ų | 68 | 29% | 0.292 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -44.5 | -40.7 | 173.9 | -35.8 | 39.9 | 0 | 0 | 0 | 114.9 | D325 S357 V358 V360 | P323-D325 VanDerWaalsContact C-N 3.32Å; P323-D325 PolarHBondContact O-N 3.5Å; P323-S357 WeakPolarHBondContact CB-O 3.39Å; P323-V358 WeakPolarHBondContact CG-O 3.43Å; P323-V360 HydrophobicContact CG-CG2 3.85Å |
| 324 | S | 82 | Confident | 83.1 | Confident | 116 Ų | 116 | 63.6 Ų | 63.6 | 81% | 0.811 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -70.2 | -22.1 | 178.6 | -50.4 | 0 | 0 | 0 | 0 | 115.1 | L322 | L322-S324 PolarHBondContact O-N 2.81Å; L322-S324 VanDerWaalsContact O-N 3.07Å |
| 325 | D | 85.9 | Confident | 83.7 | Confident | 103 Ų | 103 | 62.2 Ų | 62.2 | 55% | 0.551 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -102.6 | -1.4 | -173.1 | -60 | -32.2 | 0 | 0 | 0 | 112.4 | L322 P323 | L322-D325 HydrophobicContact CB-CB 4.49Å; L322-D325 PolarHBondContact O-N 3.17Å; P323-D325 VanDerWaalsContact C-N 3.32Å; P323-D325 PolarHBondContact O-N 3.5Å |
| 326 | R | 87.1 | Confident | 83.6 | Confident | 26 Ų | 26 | 65.5 Ų | 65.5 | 10% | 0.098 | 34% | 0.335 | C | S | . | . | trans | -76.7 | 129.7 | 177.4 | -70.5 | -174.3 | -173 | 131 | 17.6 | 111.2 | S318 I319 K321 L322 D330 V331 C356 M359 | S318-R326 PolarHBondContact O-NE 3.36Å; I319-R326 PolarHBondContact O-NH2 2.84Å; K321-R326 HydrophobicContact CB-CG 3.91Å; K321-R326 PolarHBondContact O-NE 2.79Å; K321-R326 PolarHBondContact O-NH2 2.8Å; L322-R326 PolarHBondContact O-N 2.9Å; R326-D330 HydrophobicContact CB-CB 4.08Å; R326-D330 HydrophobicContact CG-CB 4.31Å; R326-V331 HydrophobicContact CB-CG2 4.08Å; R326-C356 PolarHBondContact NH1-O 3.48Å; R326-M359 VanDerWaalsContact CZ-O 3.27Å; R326-M359 PolarHBondContact NH1-O 3.2Å; R326-M359 PolarHBondContact NH2-O 3.49Å | ||
| 327 | T | 88.3 | Confident | 83.6 | Confident | 69 Ų | 69 | 63.1 Ų | 63.1 | 42% | 0.423 | 33% | 0.329 | S | S | . | . | trans | -76 | 167.9 | 168.1 | 65.6 | 0 | 0 | 0 | 0 | 111 | E329 D330 V331 | T327-E329 PolarHBondContact O-N 3.39Å; T327-E329 PolarHBondContact OG1-N 3.45Å; T327-D330 WeakPolarHBondContact CB-OD2 3.32Å; T327-D330 PolarHBondContact N-OD2 2.88Å; T327-D330 WeakPolarHBondContact O-CB 3.38Å; T327-D330 PolarHBondContact O-N 3.14Å; T327-D330 VanDerWaalsContact OG1-CG 3.27Å; T327-D330 PolarHBondContact OG1-N 3.24Å; T327-D330 PolarHBondContact OG1-OD2 2.97Å; T327-V331 WeakPolarHBondContact O-CG2 3.38Å; T327-V331 PolarHBondContact O-N 2.71Å; T327-V331 VanDerWaalsContact O-N 3.09Å | ||
| 328 | Q | 83.3 | Confident | 83.6 | Confident | 113 Ų | 113 | 56.7 Ų | 56.7 | 53% | 0.528 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.7 | -30.1 | 171.9 | -171 | 58.7 | 60.9 | 0 | 0 | 112.1 | V331 D332 | Q328-V331 PolarHBondContact O-N 2.68Å; Q328-D332 PolarHBondContact NE2-OD1 3.25Å; Q328-D332 WeakPolarHBondContact O-CB 3.2Å; Q328-D332 PolarHBondContact O-N 3.02Å |
| 329 | E | 81.6 | Confident | 83.3 | Confident | 168 Ų | 168 | 60 Ų | 60 | 79% | 0.785 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -66.8 | -42.1 | 175.6 | -60.9 | 175.4 | -178 | 0 | 0 | 110.9 | T327 D332 L333 | T327-E329 PolarHBondContact O-N 3.39Å; T327-E329 PolarHBondContact OG1-N 3.45Å; E329-D332 PolarHBondContact O-N 2.89Å; E329-L333 WeakPolarHBondContact O-CB 3.42Å; E329-L333 PolarHBondContact O-N 2.81Å |
| 330 | D | 87.4 | Confident | 82.6 | Confident | 10 Ų | 10 | 65.5 Ų | 65.5 | 5% | 0.053 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.4 | -51.6 | 171.5 | -69.5 | -64.5 | 0 | 0 | 0 | 111.4 | S318 K321 R326 T327 D332 L333 L334 | S318-D330 WeakPolarHBondContact CB-OD1 3.47Å; S318-D330 PolarHBondContact OG-OD1 3.35Å; K321-D330 IonicContact NZ-OD1 3.61Å; K321-D330 PolarHBondContact NZ-OD1 2.91Å; K321-D330 IonicContact NZ-OD2 2.67Å; K321-D330 PolarHBondContact NZ-OD2 2.92Å; R326-D330 HydrophobicContact CB-CB 4.08Å; R326-D330 HydrophobicContact CG-CB 4.31Å; T327-D330 WeakPolarHBondContact CB-OD2 3.32Å; T327-D330 PolarHBondContact N-OD2 2.88Å; T327-D330 WeakPolarHBondContact O-CB 3.38Å; T327-D330 PolarHBondContact O-N 3.14Å; T327-D330 VanDerWaalsContact OG1-CG 3.27Å; T327-D330 PolarHBondContact OG1-N 3.24Å; T327-D330 PolarHBondContact OG1-OD2 2.97Å; D330-D332 VanDerWaalsContact C-N 3.27Å; D330-D332 PolarHBondContact O-N 2.9Å; D330-L333 PolarHBondContact O-N 2.93Å; D330-L334 WeakPolarHBondContact O-CG 3.42Å; D330-L334 PolarHBondContact O-N 2.77Å |
| 331 | V | 86.8 | Confident | 82.2 | Confident | 7 Ų | 7 | 60.6 Ų | 60.6 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.9 | -36.5 | -177.4 | 172.1 | 0 | 0 | 0 | 0 | 111.8 | R326 T327 Q328 L334 L335 R353 C356 | R326-V331 HydrophobicContact CB-CG2 4.08Å; T327-V331 WeakPolarHBondContact O-CG2 3.38Å; T327-V331 PolarHBondContact O-N 2.71Å; T327-V331 VanDerWaalsContact O-N 3.09Å; Q328-V331 PolarHBondContact O-N 2.68Å; V331-L334 PolarHBondContact O-N 2.86Å; V331-L335 WeakPolarHBondContact O-CB 3.48Å; V331-L335 PolarHBondContact O-N 3.42Å; V331-R353 HydrophobicContact CG1-CG 3.65Å; V331-C356 HydrophobicContact CG1-CB 4.05Å |
| 332 | D | 82.8 | Confident | 81.5 | Confident | 61 Ų | 61 | 59.7 Ų | 59.7 | 33% | 0.326 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -74.9 | -34.9 | 178.4 | -77.3 | 14.6 | 0 | 0 | 0 | 112.3 | Q328 E329 D330 L335 E336 R353 | Q328-D332 PolarHBondContact NE2-OD1 3.25Å; Q328-D332 WeakPolarHBondContact O-CB 3.2Å; Q328-D332 PolarHBondContact O-N 3.02Å; E329-D332 PolarHBondContact O-N 2.89Å; D330-D332 VanDerWaalsContact C-N 3.27Å; D330-D332 PolarHBondContact O-N 2.9Å; D332-L335 WeakPolarHBondContact O-CB 3.36Å; D332-L335 PolarHBondContact O-N 2.85Å; D332-E336 PolarHBondContact O-N 3.5Å; D332-E336 VanDerWaalsContact O-N 3.1Å; D332-R353 IonicContact OD1-CZ 2.75Å; D332-R353 VanDerWaalsContact OD1-CZ 3.23Å; D332-R353 IonicContact OD1-NE 3.64Å; D332-R353 PolarHBondContact OD1-NE 3.11Å; D332-R353 IonicContact OD1-NH2 3.46Å; D332-R353 PolarHBondContact OD1-NH2 3.09Å; D332-R353 IonicContact OD2-CZ 2.73Å; D332-R353 IonicContact OD2-NH2 3.85Å; D332-R353 PolarHBondContact OD2-NH2 3.1Å |
| 333 | L | 84.9 | Confident | 81.4 | Confident | 38 Ų | 38 | 55.5 Ų | 55.5 | 20% | 0.199 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.5 | -37 | 170.6 | -178.4 | 63.8 | 0 | 0 | 0 | 112.1 | A314 E329 D330 N337 | A314-L333 HydrophobicContact CB-CD2 3.71Å; E329-L333 WeakPolarHBondContact O-CB 3.42Å; E329-L333 PolarHBondContact O-N 2.81Å; D330-L333 PolarHBondContact O-N 2.93Å; L333-N337 PolarHBondContact O-ND2 2.86Å |
| 334 | L | 86.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.9 | -46 | 172.2 | -63.9 | -159.7 | 0 | 0 | 0 | 110.8 | F315 S318 I319 D330 V331 E336 N337 V338 C356 M359 | F315-L334 HydrophobicContact CD2-CD2 3.91Å; F315-L334 HydrophobicContact CE2-CD2 4.08Å; S318-L334 VanDerWaalsContact CB-CD2 3.49Å; I319-L334 HydrophobicContact CB-CD2 4.41Å; I319-L334 HydrophobicContact CD1-CD2 4.11Å; I319-L334 HydrophobicContact CG1-CD1 3.96Å; I319-L334 HydrophobicContact CG1-CD2 3.27Å; I319-L334 HydrophobicContact CG1-CG 4.24Å; D330-L334 WeakPolarHBondContact O-CG 3.42Å; D330-L334 PolarHBondContact O-N 2.77Å; V331-L334 PolarHBondContact O-N 2.86Å; L334-E336 PolarHBondContact O-N 3.47Å; L334-N337 PolarHBondContact O-N 3.13Å; L334-V338 VanDerWaalsContact O-CB 3.3Å; L334-V338 WeakPolarHBondContact O-CB 3.41Å; L334-V338 VanDerWaalsContact O-CG2 3.27Å; L334-V338 WeakPolarHBondContact O-CG2 3.41Å; L334-V338 PolarHBondContact O-N 3.35Å; L334-C356 HydrophobicContact CB-CB 4.09Å; L334-M359 HydrophobicContact CD1-SD 4.32Å |
| 335 | L | 84.6 | Confident | 80.4 | Confident | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58 | -47.4 | -179.3 | -178.5 | 62 | 0 | 0 | 0 | 112 | V331 D332 N337 V338 E339 K349 C352 R353 | V331-L335 WeakPolarHBondContact O-CB 3.48Å; V331-L335 PolarHBondContact O-N 3.42Å; D332-L335 WeakPolarHBondContact O-CB 3.36Å; D332-L335 PolarHBondContact O-N 2.85Å; L335-N337 PolarHBondContact O-N 2.86Å; L335-V338 PolarHBondContact O-N 3.38Å; L335-E339 HydrophobicContact CD1-CB 4.43Å; L335-E339 WeakPolarHBondContact CD1-OE2 3.35Å; L335-E339 WeakPolarHBondContact CG-OE2 3.25Å; L335-E339 WeakPolarHBondContact O-CB 3.4Å; L335-E339 PolarHBondContact O-N 3Å; L335-K349 HydrophobicContact CD1-CG 4.46Å; L335-K349 HydrophobicContact CD2-CG 4Å; L335-C352 HydrophobicContact CD1-CB 3.44Å; L335-C352 VanDerWaalsContact CD1-CB 3.44Å; L335-R353 HydrophobicContact CD2-CB 4.18Å |
| 336 | E | 79 | Confident | 79.4 | Confident | 86 Ų | 86 | 52.8 Ų | 52.8 | 40% | 0.402 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -55.9 | -36.6 | 178.8 | -172.7 | -177.4 | 178 | 0 | 0 | 113.1 | D332 L334 Q340 H1217 | D332-E336 PolarHBondContact O-N 3.5Å; D332-E336 VanDerWaalsContact O-N 3.1Å; L334-E336 PolarHBondContact O-N 3.47Å; E336-Q340 PolarHBondContact O-NE2 3.18Å; E336-H1217 IonicContact OE1-CE1 2.67Å; E336-H1217 IonicContact OE1-ND1 3.42Å |
| 337 | N | 77.4 | Confident | 78.8 | Confident | 36 Ų | 36 | 53.2 Ų | 53.2 | 19% | 0.193 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -88.4 | -30.7 | -177.6 | -70.5 | -84.5 | 0 | 0 | 0 | 113.2 | F315 L333 L334 L335 | F315-N337 HydrophobicContact CD2-CB 3.57Å; F315-N337 HydrophobicContact CE2-CB 3.43Å; F315-N337 VanDerWaalsContact CE2-CB 3.43Å; F315-N337 HydrophobicContact CG-CB 4.49Å; F315-N337 HydrophobicContact CZ-CB 4.26Å; L333-N337 PolarHBondContact O-ND2 2.86Å; L334-N337 PolarHBondContact O-N 3.13Å; L335-N337 PolarHBondContact O-N 2.86Å |
| 338 | V | 79.3 | Confident | 77.9 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -87.6 | -31.2 | -175.4 | 171.3 | 0 | 0 | 0 | 0 | 112.8 | F315 L334 L335 Q340 L341 F344 M359 L432 | F315-V338 HydrophobicContact CE2-CG2 4.37Å; L334-V338 VanDerWaalsContact O-CB 3.3Å; L334-V338 WeakPolarHBondContact O-CB 3.41Å; L334-V338 VanDerWaalsContact O-CG2 3.27Å; L334-V338 WeakPolarHBondContact O-CG2 3.41Å; L334-V338 PolarHBondContact O-N 3.35Å; L335-V338 PolarHBondContact O-N 3.38Å; V338-Q340 PolarHBondContact O-N 3.15Å; V338-L341 WeakPolarHBondContact O-CB 3.45Å; V338-L341 PolarHBondContact O-N 3.15Å; V338-F344 HydrophobicContact CG1-CB 4.49Å; V338-F344 HydrophobicContact CG1-CD1 3.73Å; V338-F344 HydrophobicContact CG1-CD2 3.41Å; V338-F344 VanDerWaalsContact CG1-CD2 3.41Å; V338-F344 HydrophobicContact CG1-CE1 3.66Å; V338-F344 HydrophobicContact CG1-CE2 3.34Å; V338-F344 HydrophobicContact CG1-CG 3.61Å; V338-F344 HydrophobicContact CG1-CZ 3.46Å; V338-F344 VanDerWaalsContact CG1-CZ 3.46Å; V338-M359 HydrophobicContact CG1-CE 4.23Å; V338-L432 HydrophobicContact CG2-CD1 4.21Å |
| 339 | E | 77.1 | Confident | 77.2 | Confident | 74 Ų | 74 | 51.9 Ų | 51.9 | 35% | 0.346 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -11.2 | 176.6 | -171.4 | 169.5 | 165.9 | 0 | 0 | 113.3 | L335 K349 | L335-E339 HydrophobicContact CD1-CB 4.43Å; L335-E339 WeakPolarHBondContact CD1-OE2 3.35Å; L335-E339 WeakPolarHBondContact CG-OE2 3.25Å; L335-E339 WeakPolarHBondContact O-CB 3.4Å; L335-E339 PolarHBondContact O-N 3Å; E339-K349 IonicContact OE1-NZ 2.69Å; E339-K349 PolarHBondContact OE1-NZ 2.74Å; E339-K349 IonicContact OE2-NZ 2.82Å; E339-K349 PolarHBondContact OE2-NZ 2.72Å |
| 340 | Q | 69.5 | Low | 76.8 | Confident | 117 Ų | 117 | 46.9 Ų | 46.9 | 55% | 0.547 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -7 | 174.1 | -61.2 | 176.7 | 54.5 | 0 | 0 | 113.7 | E336 V338 | E336-Q340 PolarHBondContact O-NE2 3.18Å; V338-Q340 PolarHBondContact O-N 3.15Å |
| 341 | L | 73.2 | Confident | 76.6 | Confident | 15 Ų | 15 | 46.7 Ų | 46.7 | 8% | 0.079 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -88.6 | 139.9 | 179.9 | -62.8 | 176.7 | 0 | 0 | 0 | 111.5 | V338 A343 F344 S345 V383 L385 | V338-L341 WeakPolarHBondContact O-CB 3.45Å; V338-L341 PolarHBondContact O-N 3.15Å; L341-A343 VanDerWaalsContact C-N 3.26Å; L341-A343 PolarHBondContact O-N 2.91Å; L341-A343 VanDerWaalsContact O-N 3.14Å; L341-F344 HydrophobicContact CB-CD2 4.17Å; L341-F344 PolarHBondContact O-N 3.49Å; L341-S345 PolarHBondContact O-N 3.28Å; L341-V383 HydrophobicContact CD1-CG1 4.5Å; L341-L385 HydrophobicContact CD1-CD1 4.23Å |
| 342 | P | 70.3 | Confident | 76.5 | Confident | 54 Ų | 54 | 46.5 Ų | 46.5 | 35% | 0.351 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -48.1 | -44.1 | 179.3 | -30.5 | 35.1 | 0 | 0 | 0 | 114.2 | F344 S345 | P342-F344 PolarHBondContact O-N 3.45Å; P342-S345 WeakPolarHBondContact O-CB 3.49Å; P342-S345 PolarHBondContact O-N 2.78Å; P342-S345 PolarHBondContact O-OG 3.21Å |
| 343 | A | 76.5 | Confident | 76.7 | Confident | 21 Ų | 21 | 47.6 Ų | 47.6 | 17% | 0.174 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -53.6 | -24.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | L341 W381 V383 G404 A406 | L341-A343 VanDerWaalsContact C-N 3.26Å; L341-A343 PolarHBondContact O-N 2.91Å; L341-A343 VanDerWaalsContact O-N 3.14Å; A343-W381 HydrophobicContact CB-CH2 4.47Å; A343-W381 HydrophobicContact CB-CZ2 4.28Å; A343-V383 HydrophobicContact CB-CB 4.35Å; A343-V383 HydrophobicContact CB-CG1 3.67Å; A343-V383 HydrophobicContact CB-CG2 3.66Å; A343-G404 WeakPolarHBondContact CB-O 3.31Å; A343-G404 PolarHBondContact N-O 3.03Å; A343-A406 HydrophobicContact CB-CB 3.83Å |
| 344 | F | 79.2 | Confident | 76.8 | Confident | 3 Ų | 3 | 48 Ų | 48 | 1% | 0.013 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -109 | -12 | -176.8 | -66.3 | -95.4 | 0 | 0 | 0 | 113.3 | V338 L341 P342 N346 L347 L355 M359 W381 V383 | V338-F344 HydrophobicContact CG1-CB 4.49Å; V338-F344 HydrophobicContact CG1-CD1 3.73Å; V338-F344 HydrophobicContact CG1-CD2 3.41Å; V338-F344 VanDerWaalsContact CG1-CD2 3.41Å; V338-F344 HydrophobicContact CG1-CE1 3.66Å; V338-F344 HydrophobicContact CG1-CE2 3.34Å; V338-F344 HydrophobicContact CG1-CG 3.61Å; V338-F344 HydrophobicContact CG1-CZ 3.46Å; V338-F344 VanDerWaalsContact CG1-CZ 3.46Å; L341-F344 HydrophobicContact CB-CD2 4.17Å; L341-F344 PolarHBondContact O-N 3.49Å; P342-F344 PolarHBondContact O-N 3.45Å; F344-N346 PolarHBondContact O-N 3.28Å; F344-N346 VanDerWaalsContact O-N 3.12Å; F344-L347 HydrophobicContact CD1-CD1 4.23Å; F344-L347 PolarHBondContact O-N 3.16Å; F344-L347 VanDerWaalsContact O-N 3.16Å; F344-L355 HydrophobicContact CD1-CD1 4.23Å; F344-L355 HydrophobicContact CE1-CB 4.11Å; F344-L355 HydrophobicContact CE1-CD1 3.85Å; F344-M359 HydrophobicContact CE1-CE 4.04Å; F344-M359 HydrophobicContact CZ-CE 3.8Å; F344-W381 HydrophobicContact CD1-CH2 4.39Å; F344-W381 AromaticContact CE1-CH2 3.81Å; F344-W381 HydrophobicContact CE1-CH2 3.81Å; F344-W381 AromaticContact CE1-CZ3 3.97Å; F344-W381 HydrophobicContact CE1-CZ3 3.97Å; F344-W381 AromaticContact CE2-CH2 3.94Å; F344-W381 HydrophobicContact CE2-CH2 3.94Å; F344-W381 HydrophobicContact CE2-CZ3 4.41Å; F344-W381 AromaticContact CZ-CH2 3.55Å; F344-W381 HydrophobicContact CZ-CH2 3.55Å; F344-W381 AromaticContact CZ-CZ3 3.66Å; F344-W381 HydrophobicContact CZ-CZ3 3.66Å; F344-V383 HydrophobicContact CE2-CB 4.4Å; F344-V383 HydrophobicContact CE2-CG1 4.33Å; F344-V383 HydrophobicContact CE2-CG2 3.92Å; F344-V383 HydrophobicContact CZ-CG2 4.34Å |
| 345 | S | 67.8 | Low | 76.9 | Confident | 67 Ų | 67 | 48 Ų | 48 | 47% | 0.469 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -28.5 | -173.1 | 61.6 | 0 | 0 | 0 | 0 | 115.6 | L341 P342 | L341-S345 PolarHBondContact O-N 3.28Å; P342-S345 WeakPolarHBondContact O-CB 3.49Å; P342-S345 PolarHBondContact O-N 2.78Å; P342-S345 PolarHBondContact O-OG 3.21Å |
| 346 | N | 64.9 | Low | 77.2 | Confident | 136 Ų | 136 | 47.8 Ų | 47.8 | 73% | 0.727 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 4.9 | -176.2 | -70.1 | -63.4 | 0 | 0 | 0 | 114.2 | F344 | F344-N346 PolarHBondContact O-N 3.28Å; F344-N346 VanDerWaalsContact O-N 3.12Å |
| 347 | L | 74.4 | Confident | 77.7 | Confident | 36 Ų | 36 | 46 Ų | 46 | 19% | 0.188 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -99.3 | 153.5 | -177.3 | -57.6 | -178.4 | 0 | 0 | 0 | 111.1 | F344 T351 L355 M443 | F344-L347 HydrophobicContact CD1-CD1 4.23Å; F344-L347 PolarHBondContact O-N 3.16Å; F344-L347 VanDerWaalsContact O-N 3.16Å; L347-T351 HydrophobicContact CB-CG2 4.32Å; L347-T351 HydrophobicContact CD1-CG2 4.39Å; L347-L355 HydrophobicContact CD1-CD1 3.62Å; L347-M443 HydrophobicContact CD2-CE 3.71Å; L347-M443 HydrophobicContact CD2-SD 4.19Å |
| 348 | T | 70.4 | Confident | 78.3 | Confident | 48 Ų | 48 | 45.8 Ų | 45.8 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | trans | -66.7 | 149.7 | 173.7 | 82 | 0 | 0 | 0 | 0 | 110.8 | A350 T351 C352 E446 | T348-A350 PolarHBondContact O-N 2.89Å; T348-A350 VanDerWaalsContact O-N 3.1Å; T348-A350 PolarHBondContact OG1-N 2.67Å; T348-T351 CarbonylContact O-C 3.54Å; T348-T351 WeakPolarHBondContact O-CA 3.13Å; T348-T351 VanDerWaalsContact O-CB 3.28Å; T348-T351 WeakPolarHBondContact O-CB 3.36Å; T348-T351 PolarHBondContact O-N 3.27Å; T348-T351 PolarHBondContact OG1-N 3.03Å; T348-T351 PolarHBondContact OG1-OG1 3.3Å; T348-C352 PolarHBondContact O-N 2.72Å; T348-C352 PolarHBondContact O-SG 3.45Å; T348-E446 HydrophobicContact CG2-CG 4.22Å; T348-E446 PolarHBondContact N-OE1 3.01Å | ||
| 349 | K | 68.7 | Low | 78.9 | Confident | 106 Ų | 106 | 45.8 Ų | 45.8 | 46% | 0.461 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.4 | -25.1 | 176.1 | -161.8 | 177.4 | -173.5 | 73.9 | 0 | 112.9 | L335 E339 R353 | L335-K349 HydrophobicContact CD1-CG 4.46Å; L335-K349 HydrophobicContact CD2-CG 4Å; E339-K349 IonicContact OE1-NZ 2.69Å; E339-K349 PolarHBondContact OE1-NZ 2.74Å; E339-K349 IonicContact OE2-NZ 2.82Å; E339-K349 PolarHBondContact OE2-NZ 2.72Å; K349-R353 WeakPolarHBondContact O-CB 3.33Å; K349-R353 PolarHBondContact O-N 3.46Å |
| 350 | A | 73.1 | Confident | 79.5 | Confident | 62 Ų | 62 | 45.4 Ų | 45.4 | 51% | 0.512 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -72.9 | -40.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T348 S354 | T348-A350 PolarHBondContact O-N 2.89Å; T348-A350 VanDerWaalsContact O-N 3.1Å; T348-A350 PolarHBondContact OG1-N 2.67Å; A350-S354 WeakPolarHBondContact O-CB 3.44Å; A350-S354 PolarHBondContact O-N 3.29Å; A350-S354 PolarHBondContact O-OG 3.41Å |
| 351 | T | 83 | Confident | 80.5 | Confident | 7 Ų | 7 | 41.2 Ų | 41.2 | 4% | 0.043 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.3 | -50.1 | 171 | -48.1 | 0 | 0 | 0 | 0 | 110.6 | L347 T348 R353 S354 L355 I442 M443 E446 | L347-T351 HydrophobicContact CB-CG2 4.32Å; L347-T351 HydrophobicContact CD1-CG2 4.39Å; T348-T351 CarbonylContact O-C 3.54Å; T348-T351 WeakPolarHBondContact O-CA 3.13Å; T348-T351 VanDerWaalsContact O-CB 3.28Å; T348-T351 WeakPolarHBondContact O-CB 3.36Å; T348-T351 PolarHBondContact O-N 3.27Å; T348-T351 PolarHBondContact OG1-N 3.03Å; T348-T351 PolarHBondContact OG1-OG1 3.3Å; T351-R353 PolarHBondContact O-N 2.92Å; T351-S354 CarbonylContact O-C 3.48Å; T351-S354 WeakPolarHBondContact O-CA 3.48Å; T351-S354 WeakPolarHBondContact O-CB 3.33Å; T351-S354 PolarHBondContact O-N 3.11Å; T351-S354 VanDerWaalsContact O-N 3.08Å; T351-L355 HydrophobicContact CG2-CD1 4.3Å; T351-L355 WeakPolarHBondContact O-CG 3.37Å; T351-L355 PolarHBondContact O-N 2.92Å; T351-I442 HydrophobicContact CG2-CG2 3.84Å; T351-M443 HydrophobicContact CG2-SD 3.75Å; T351-E446 VanDerWaalsContact CB-OE1 3.22Å; T351-E446 WeakPolarHBondContact CB-OE1 3.33Å; T351-E446 WeakPolarHBondContact CG2-OE1 3.48Å; T351-E446 PolarHBondContact OG1-OE1 3.04Å |
| 352 | C | 84.5 | Confident | 81.2 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.014 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.6 | -49.4 | 176.1 | -64.3 | 0 | 0 | 0 | 0 | 111.9 | L335 T348 S354 L355 C356 | L335-C352 HydrophobicContact CD1-CB 3.44Å; L335-C352 VanDerWaalsContact CD1-CB 3.44Å; T348-C352 PolarHBondContact O-N 2.72Å; T348-C352 PolarHBondContact O-SG 3.45Å; C352-S354 VanDerWaalsContact C-N 3.27Å; C352-S354 PolarHBondContact O-N 3.23Å; C352-L355 PolarHBondContact O-N 3.17Å; C352-L355 VanDerWaalsContact O-N 3.09Å; C352-C356 PolarHBondContact O-N 2.84Å; C352-C356 PolarHBondContact O-SG 3.46Å |
| 353 | R | 86.7 | Confident | 82 | Confident | 85 Ų | 85 | 43.6 Ų | 43.6 | 32% | 0.321 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.6 | -37.7 | 175.9 | -171.7 | 177.8 | -93.9 | 136.7 | -13.6 | 112.1 | V331 D332 L335 K349 T351 C356 S357 | V331-R353 HydrophobicContact CG1-CG 3.65Å; D332-R353 IonicContact OD1-CZ 2.75Å; D332-R353 VanDerWaalsContact OD1-CZ 3.23Å; D332-R353 IonicContact OD1-NE 3.64Å; D332-R353 PolarHBondContact OD1-NE 3.11Å; D332-R353 IonicContact OD1-NH2 3.46Å; D332-R353 PolarHBondContact OD1-NH2 3.09Å; D332-R353 IonicContact OD2-CZ 2.73Å; D332-R353 IonicContact OD2-NH2 3.85Å; D332-R353 PolarHBondContact OD2-NH2 3.1Å; L335-R353 HydrophobicContact CD2-CB 4.18Å; K349-R353 WeakPolarHBondContact O-CB 3.33Å; K349-R353 PolarHBondContact O-N 3.46Å; T351-R353 PolarHBondContact O-N 2.92Å; R353-C356 PolarHBondContact O-N 3.46Å; R353-S357 PolarHBondContact O-N 3.26Å; R353-S357 VanDerWaalsContact O-N 3.16Å |
| 354 | S | 85.9 | Confident | 82.5 | Confident | 47 Ų | 47 | 43.8 Ų | 43.8 | 33% | 0.329 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68.6 | -32.6 | 175.7 | -57.8 | 0 | 0 | 0 | 0 | 112.9 | A350 T351 C352 S357 I442 | A350-S354 WeakPolarHBondContact O-CB 3.44Å; A350-S354 PolarHBondContact O-N 3.29Å; A350-S354 PolarHBondContact O-OG 3.41Å; T351-S354 CarbonylContact O-C 3.48Å; T351-S354 WeakPolarHBondContact O-CA 3.48Å; T351-S354 WeakPolarHBondContact O-CB 3.33Å; T351-S354 PolarHBondContact O-N 3.11Å; T351-S354 VanDerWaalsContact O-N 3.08Å; C352-S354 VanDerWaalsContact C-N 3.27Å; C352-S354 PolarHBondContact O-N 3.23Å; S354-S357 PolarHBondContact O-OG 3.38Å; S354-I442 WeakPolarHBondContact O-CD1 3.32Å |
| 355 | L | 89.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -73.9 | -40 | 173.1 | -66.2 | 169.9 | 0 | 0 | 0 | 111.1 | F344 L347 T351 C352 S357 V358 M359 W381 V434 Y439 I442 | F344-L355 HydrophobicContact CD1-CD1 4.23Å; F344-L355 HydrophobicContact CE1-CB 4.11Å; F344-L355 HydrophobicContact CE1-CD1 3.85Å; L347-L355 HydrophobicContact CD1-CD1 3.62Å; T351-L355 HydrophobicContact CG2-CD1 4.3Å; T351-L355 WeakPolarHBondContact O-CG 3.37Å; T351-L355 PolarHBondContact O-N 2.92Å; C352-L355 PolarHBondContact O-N 3.17Å; C352-L355 VanDerWaalsContact O-N 3.09Å; L355-S357 VanDerWaalsContact C-N 3.27Å; L355-S357 PolarHBondContact O-N 2.88Å; L355-V358 WeakPolarHBondContact O-CG2 3.43Å; L355-V358 PolarHBondContact O-N 2.81Å; L355-V358 VanDerWaalsContact O-N 3.1Å; L355-M359 WeakPolarHBondContact O-CB 3.18Å; L355-M359 WeakPolarHBondContact O-CG 3.21Å; L355-M359 PolarHBondContact O-N 3.1Å; L355-W381 HydrophobicContact CD1-CH2 4.41Å; L355-W381 HydrophobicContact CD1-CZ3 4.2Å; L355-V434 HydrophobicContact CD2-CG1 4.13Å; L355-V434 HydrophobicContact CD2-CG2 4.24Å; L355-Y439 HydrophobicContact CD2-CD2 4.14Å; L355-I442 HydrophobicContact CD2-CD1 4.05Å; L355-I442 HydrophobicContact CD2-CG2 4.19Å; L355-I442 HydrophobicContact CG-CG2 4.28Å |
| 356 | C | 90.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.1 | -30.6 | 175.4 | -69.8 | 0 | 0 | 0 | 0 | 113.3 | R326 V331 L334 C352 R353 | R326-C356 PolarHBondContact NH1-O 3.48Å; V331-C356 HydrophobicContact CG1-CB 4.05Å; L334-C356 HydrophobicContact CB-CB 4.09Å; C352-C356 PolarHBondContact O-N 2.84Å; C352-C356 PolarHBondContact O-SG 3.46Å; R353-C356 PolarHBondContact O-N 3.46Å |
| 357 | S | 89.1 | Confident | 84.1 | Confident | 48 Ų | 48 | 48.9 Ų | 48.9 | 34% | 0.336 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -18.2 | 175 | 66.7 | 0 | 0 | 0 | 0 | 114.3 | P323 R353 S354 L355 | P323-S357 WeakPolarHBondContact CB-O 3.39Å; R353-S357 PolarHBondContact O-N 3.26Å; R353-S357 VanDerWaalsContact O-N 3.16Å; S354-S357 PolarHBondContact O-OG 3.38Å; L355-S357 VanDerWaalsContact C-N 3.27Å; L355-S357 PolarHBondContact O-N 2.88Å |
| 358 | V | 91 | Very high | 84.5 | Confident | 32 Ų | 32 | 49.3 Ų | 49.3 | 19% | 0.194 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | -18.5 | -178.2 | -59.4 | 0 | 0 | 0 | 0 | 115.5 | P323 L355 V434 I442 | P323-V358 WeakPolarHBondContact CG-O 3.43Å; L355-V358 WeakPolarHBondContact O-CG2 3.43Å; L355-V358 PolarHBondContact O-N 2.81Å; L355-V358 VanDerWaalsContact O-N 3.1Å; V358-V434 HydrophobicContact CG2-CG1 3.73Å; V358-V434 HydrophobicContact CG2-CG2 4.46Å; V358-I442 HydrophobicContact CG1-CD1 4.4Å; V358-I442 HydrophobicContact CG2-CD1 3.73Å |
| 359 | M | 91 | Very high | 85.3 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | trans | -62.9 | 147.4 | -175.4 | 60.6 | 174.3 | 51.3 | 0 | 0 | 113.8 | R326 L334 V338 F344 L355 L432 C433 V434 | R326-M359 VanDerWaalsContact CZ-O 3.27Å; R326-M359 PolarHBondContact NH1-O 3.2Å; R326-M359 PolarHBondContact NH2-O 3.49Å; L334-M359 HydrophobicContact CD1-SD 4.32Å; V338-M359 HydrophobicContact CG1-CE 4.23Å; F344-M359 HydrophobicContact CE1-CE 4.04Å; F344-M359 HydrophobicContact CZ-CE 3.8Å; L355-M359 WeakPolarHBondContact O-CB 3.18Å; L355-M359 WeakPolarHBondContact O-CG 3.21Å; L355-M359 PolarHBondContact O-N 3.1Å; M359-L432 HydrophobicContact CE-CD1 4.46Å; M359-L432 HydrophobicContact SD-CD1 4.15Å; M359-L432 HydrophobicContact SD-CD2 4.25Å; M359-C433 WeakPolarHBondContact CA-O 3.46Å; M359-V434 HydrophobicContact CB-CG2 3.95Å | ||
| 360 | V | 90.1 | Very high | 86.2 | Confident | 67 Ų | 67 | 50.1 Ų | 50.1 | 41% | 0.406 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 144.1 | 177.6 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | P323 C433 | P323-V360 HydrophobicContact CG-CG2 3.85Å; V360-C433 PolarHBondContact N-O 2.93Å; V360-C433 PolarHBondContact O-N 3.3Å |
| 361 | L | 89.6 | Confident | 86.9 | Confident | 28 Ų | 28 | 48.8 Ų | 48.8 | 15% | 0.147 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 127.2 | 176.8 | -172.7 | 71.4 | 0 | 0 | 0 | 111.2 | W316 I319 L320 I363 L385 H430 F431 L432 | W316-L361 HydrophobicContact CE3-CD2 4.25Å; W316-L361 HydrophobicContact CZ3-CD1 4.32Å; W316-L361 HydrophobicContact CZ3-CD2 3.89Å; I319-L361 HydrophobicContact CG2-CB 3.58Å; I319-L361 HydrophobicContact CG2-CD1 4.27Å; I319-L361 HydrophobicContact CG2-CD2 3.95Å; I319-L361 HydrophobicContact CG2-CG 4.15Å; L320-L361 HydrophobicContact CD2-CD2 4.02Å; L361-I363 HydrophobicContact CD2-CD1 3.92Å; L361-I363 HydrophobicContact CD2-CG1 4.06Å; L361-I363 HydrophobicContact CG-CD1 4.5Å; L361-I363 HydrophobicContact CG-CG1 4.1Å; L361-L385 HydrophobicContact CD1-CD2 3.9Å; L361-H430 HydrophobicContact CD1-CB 4.22Å; L361-F431 WeakPolarHBondContact CA-O 3.4Å; L361-L432 HydrophobicContact CD1-CD2 3.9Å |
| 362 | A | 88.8 | Confident | 87.2 | Confident | 39 Ų | 39 | 49.5 Ų | 49.5 | 32% | 0.322 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 143.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110 | H430 F431 | A362-H430 WeakPolarHBondContact O-CA 3.49Å; A362-F431 HydrophobicContact CB-CB 4.4Å; A362-F431 PolarHBondContact N-O 3.3Å; A362-F431 PolarHBondContact O-N 3.46Å |
| 363 | I | 86.8 | Confident | 87.4 | Confident | 81 Ų | 81 | 53.5 Ų | 53.5 | 42% | 0.415 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 126.2 | -179.1 | -61.9 | -179.3 | 0 | 0 | 0 | 108.2 | L361 R365 | L361-I363 HydrophobicContact CD2-CD1 3.92Å; L361-I363 HydrophobicContact CD2-CG1 4.06Å; L361-I363 HydrophobicContact CG-CD1 4.5Å; L361-I363 HydrophobicContact CG-CG1 4.1Å; I363-R365 HydrophobicContact CG2-CG 4.26Å |
| 364 | I | 88 | Confident | 87.4 | Confident | 25 Ų | 25 | 52.3 Ų | 52.3 | 13% | 0.128 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 109 | 176.6 | -57.6 | -176 | 0 | 0 | 0 | 107.5 | Q369 V371 T424 D428 C429 F431 | I364-Q369 HydrophobicContact CG2-CB 4.03Å; I364-Q369 HydrophobicContact CG2-CG 4.12Å; I364-V371 HydrophobicContact CD1-CB 4.19Å; I364-V371 HydrophobicContact CD1-CG1 3.75Å; I364-V371 HydrophobicContact CD1-CG2 3.71Å; I364-T424 HydrophobicContact CB-CG2 4.13Å; I364-T424 HydrophobicContact CG2-CG2 3.66Å; I364-D428 CarbonylContact O-C 3.52Å; I364-D428 WeakPolarHBondContact O-CA 3.49Å; I364-D428 PolarHBondContact O-N 3.12Å; I364-C429 HydrophobicContact CB-CB 4.45Å; I364-C429 PolarHBondContact N-O 3.34Å; I364-C429 PolarHBondContact O-N 3.29Å; I364-F431 HydrophobicContact CB-CE2 4.25Å; I364-F431 HydrophobicContact CD1-CD2 4.37Å; I364-F431 HydrophobicContact CD1-CE2 3.68Å; I364-F431 HydrophobicContact CD1-CZ 4.39Å; I364-F431 HydrophobicContact CG1-CD2 4.43Å; I364-F431 HydrophobicContact CG1-CE2 3.88Å |
| 365 | R | 81 | Confident | 87.3 | Confident | 124 Ų | 124 | 54.6 Ų | 54.6 | 47% | 0.468 | 31% | 0.305 | S | S | . | . | trans | -78.6 | -38.8 | -170.4 | -62.4 | -169.5 | 176.7 | 149.8 | -3.4 | 113.7 | Y266 I363 E427 D428 | Y266-R365 PolarHBondContact OH-NH1 3.45Å; I363-R365 HydrophobicContact CG2-CG 4.26Å; R365-E427 CarbonylContact O-C 3.59Å; R365-E427 WeakPolarHBondContact O-CA 3.19Å; R365-E427 VanDerWaalsContact O-CB 3.26Å; R365-E427 WeakPolarHBondContact O-CB 3.23Å; R365-D428 WeakPolarHBondContact CG-OD1 3.15Å; R365-D428 PolarHBondContact O-N 2.7Å | ||
| 366 | E | 80.4 | Confident | 87.2 | Confident | 138 Ų | 138 | 58.2 Ų | 58.2 | 65% | 0.645 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -87.1 | 135.7 | -171.9 | -65.5 | 178.7 | -165.2 | 0 | 0 | 111.5 | T424 | E366-T424 PolarHBondContact O-OG1 2.9Š|
| 367 | A | 84 | Confident | 86.9 | Confident | 50 Ų | 50 | 62.8 Ų | 62.8 | 41% | 0.413 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 147.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q369 T424 E427 | A367-Q369 PolarHBondContact O-N 3.01Å; A367-T424 WeakPolarHBondContact CA-OG1 3.45Å; A367-E427 HydrophobicContact CB-CG 3.92Å |
| 368 | G | 82.2 | Confident | 86.7 | Confident | 46 Ų | 46 | 61 Ų | 61 | 47% | 0.474 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | -2.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | T424 | G368-T424 VanDerWaalsContact CA-O 3.26Å; G368-T424 WeakPolarHBondContact CA-O 3.21Å; G368-T424 PolarHBondContact N-O 3.5Å; G368-T424 PolarHBondContact N-OG1 2.89Å |
| 369 | Q | 86.5 | Confident | 86.5 | Confident | 87 Ų | 87 | 64.4 Ų | 64.4 | 41% | 0.407 | 35% | 0.353 | S | S | . | . | trans | -70.6 | 129.4 | 177.7 | -177.9 | 172.9 | -11.7 | 0 | 0 | 110.6 | I364 A367 V371 R423 T424 | I364-Q369 HydrophobicContact CG2-CB 4.03Å; I364-Q369 HydrophobicContact CG2-CG 4.12Å; A367-Q369 PolarHBondContact O-N 3.01Å; Q369-V371 PolarHBondContact O-N 3.5Å; Q369-R423 CarbonylContact O-C 3.5Å; Q369-R423 VanDerWaalsContact O-CA 3.22Å; Q369-R423 WeakPolarHBondContact O-CA 3.23Å; Q369-T424 PolarHBondContact N-OG1 3.06Å; Q369-T424 PolarHBondContact O-N 2.66Å; Q369-T424 PolarHBondContact O-OG1 3.02Å | ||
| 370 | I | 88.7 | Confident | 86.4 | Confident | 84 Ų | 84 | 66 Ų | 66 | 43% | 0.431 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 125.6 | 174.3 | -63.3 | 173.3 | 0 | 0 | 0 | 109.3 | V421 M422 R423 | I370-V421 HydrophobicContact CD1-CG1 3.92Å; I370-V421 HydrophobicContact CG1-CG1 3.94Å; I370-V421 HydrophobicContact CG2-CG1 3.83Å; I370-M422 CarbonylContact C-O 3.21Å; I370-M422 WeakPolarHBondContact CA-O 3.41Å; I370-R423 HydrophobicContact CG1-CB 4.47Å |
| 371 | V | 87.5 | Confident | 86.5 | Confident | 34 Ų | 34 | 63.6 Ų | 63.6 | 21% | 0.206 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -39.3 | -179.2 | -172.7 | 0 | 0 | 0 | 0 | 111 | I364 Q369 V389 M422 T424 F431 | I364-V371 HydrophobicContact CD1-CB 4.19Å; I364-V371 HydrophobicContact CD1-CG1 3.75Å; I364-V371 HydrophobicContact CD1-CG2 3.71Å; Q369-V371 PolarHBondContact O-N 3.5Å; V371-V389 HydrophobicContact CG2-CG1 4.23Å; V371-M422 HydrophobicContact CB-CB 4.32Å; V371-M422 HydrophobicContact CB-CG 3.97Å; V371-M422 HydrophobicContact CB-SD 3.91Å; V371-M422 HydrophobicContact CG1-SD 3.99Å; V371-M422 HydrophobicContact CG2-CG 4.3Å; V371-M422 HydrophobicContact CG2-SD 4.48Å; V371-M422 PolarHBondContact N-O 3.15Å; V371-T424 HydrophobicContact CG2-CG2 3.82Å; V371-F431 HydrophobicContact CG1-CZ 4.43Å |
| 372 | L | 88.9 | Confident | 86.6 | Confident | 22 Ų | 22 | 62.5 Ų | 62.5 | 12% | 0.115 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 137 | 176.2 | -68.8 | 170.4 | 0 | 0 | 0 | 109.3 | E376 L378 F407 H418 M422 | L372-E376 HydrophobicContact CD2-CG 4.48Å; L372-L378 HydrophobicContact CD1-CD2 3.74Å; L372-L378 HydrophobicContact CD2-CD2 4.24Å; L372-F407 HydrophobicContact CD1-CD2 3.99Å; L372-F407 HydrophobicContact CD1-CE2 3.88Å; L372-H418 HydrophobicContact CB-CB 4.43Å; L372-H418 VanDerWaalsContact CB-CD2 3.47Å; L372-H418 WeakPolarHBondContact CB-CD2 3.38Å; L372-M422 HydrophobicContact CB-CB 4.04Å; L372-M422 HydrophobicContact CD1-CE 4.31Å; L372-M422 HydrophobicContact CD1-SD 4.34Å; L372-M422 PolarHBondContact N-O 3.12Å; L372-M422 PolarHBondContact O-N 3Å |
| 373 | N | 89.6 | Confident | 86.7 | Confident | 86 Ų | 86 | 60.7 Ų | 60.7 | 46% | 0.46 | 33% | 0.326 | S | S | . | . | trans | -87.7 | 158.5 | 177.5 | -59.4 | -91.6 | 0 | 0 | 0 | 111.1 | N375 E376 | N373-N375 PolarHBondContact O-N 3.48Å; N373-E376 HydrophobicContact CB-CB 4.23Å; N373-E376 WeakPolarHBondContact CB-OE2 3.29Å; N373-E376 PolarHBondContact N-OE2 3.4Å; N373-E376 PolarHBondContact ND2-OE2 3.31Å; N373-E376 WeakPolarHBondContact O-CB 3.48Å; N373-E376 PolarHBondContact O-N 3.01Å | ||
| 374 | D | 87 | Confident | 86.7 | Confident | 60 Ų | 60 | 56.8 Ų | 56.8 | 32% | 0.321 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 131.5 | 174.6 | -176.2 | 46.7 | 0 | 0 | 0 | 110.8 | E376 G420 V421 | D374-E376 VanDerWaalsContact C-N 3.25Å; D374-E376 PolarHBondContact O-N 3.16Å; D374-G420 WeakPolarHBondContact CA-O 3.21Å; D374-G420 PolarHBondContact N-O 3.34Å; D374-G420 PolarHBondContact OD1-N 2.86Å; D374-V421 HydrophobicContact CB-CG2 4Å |
| 375 | N | 83.3 | Confident | 86.4 | Confident | 95 Ų | 95 | 56 Ų | 56 | 51% | 0.508 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 14.1 | -171 | -43 | -91.8 | 0 | 0 | 0 | 115.6 | N373 I417 H418 | N373-N375 PolarHBondContact O-N 3.48Å; N375-I417 HydrophobicContact CB-CD1 4.45Å; N375-H418 VanDerWaalsContact CA-O 3.28Å; N375-H418 WeakPolarHBondContact CA-O 3.33Å; N375-H418 PolarHBondContact N-O 2.94Å |
| 376 | E | 87.3 | Confident | 86.5 | Confident | 76 Ų | 76 | 53.4 Ų | 53.4 | 36% | 0.355 | 30% | 0.297 | S | S | . | . | trans | -65.4 | 137.8 | 173.2 | -171.5 | 158.4 | -173.6 | 0 | 0 | 111.3 | L372 N373 D374 L378 I417 H418 | L372-E376 HydrophobicContact CD2-CG 4.48Å; N373-E376 HydrophobicContact CB-CB 4.23Å; N373-E376 WeakPolarHBondContact CB-OE2 3.29Å; N373-E376 PolarHBondContact N-OE2 3.4Å; N373-E376 PolarHBondContact ND2-OE2 3.31Å; N373-E376 WeakPolarHBondContact O-CB 3.48Å; N373-E376 PolarHBondContact O-N 3.01Å; D374-E376 VanDerWaalsContact C-N 3.25Å; D374-E376 PolarHBondContact O-N 3.16Å; E376-L378 PolarHBondContact O-N 2.99Å; E376-I417 CarbonylContact O-C 3.56Å; E376-I417 VanDerWaalsContact O-CA 3.31Å; E376-I417 WeakPolarHBondContact O-CA 3.12Å; E376-H418 PolarHBondContact O-N 3.43Å | ||
| 377 | V | 84.4 | Confident | 86.4 | Confident | 95 Ų | 95 | 47.5 Ų | 47.5 | 58% | 0.576 | 27% | 0.273 | S | S | * | . | B | Isolated β-bridge | trans | -74.9 | 124.7 | -178 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | D379 I417 | V377-D379 PolarHBondContact O-N 2.68Å; V377-I417 HydrophobicContact CG2-CG2 4.27Å |
| 378 | L | 84.4 | Confident | 86.4 | Confident | 12 Ų | 12 | 46.3 Ų | 46.3 | 6% | 0.063 | 26% | 0.261 | C | S | . | . | trans | -82.5 | 114.5 | -179.8 | -62.3 | 170 | 0 | 0 | 0 | 109.4 | L372 E376 V409 C416 H418 | L372-L378 HydrophobicContact CD1-CD2 3.74Å; L372-L378 HydrophobicContact CD2-CD2 4.24Å; E376-L378 PolarHBondContact O-N 2.99Å; L378-V409 HydrophobicContact CB-CG2 3.93Å; L378-V409 WeakPolarHBondContact O-CG2 3.23Å; L378-C416 HydrophobicContact CB-CB 4.11Å; L378-C416 HydrophobicContact CD1-CB 4.26Å; L378-C416 PolarHBondContact N-O 3.47Å; L378-H418 HydrophobicContact CD2-CB 4.01Å; L378-H418 HydrophobicContact CG-CB 4.32Å | ||
| 379 | D | 87.1 | Confident | 86.7 | Confident | 103 Ų | 103 | 44.1 Ų | 44.1 | 55% | 0.551 | 24% | 0.238 | S | C | * | . | trans | -105.9 | -3.1 | 179.9 | 74.1 | -20.7 | 0 | 0 | 0 | 113.3 | V377 Q436 | V377-D379 PolarHBondContact O-N 2.68Å; D379-Q436 WeakPolarHBondContact O-CB 3.39Å; D379-Q436 PolarHBondContact O-N 2.89Å | ||
| 380 | T | 89.8 | Confident | 86.8 | Confident | 33 Ų | 33 | 40.6 Ų | 40.6 | 20% | 0.202 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 151.8 | -169.1 | 35.3 | 0 | 0 | 0 | 0 | 110.9 | G408 V409 C433 V434 | T380-G408 CarbonylContact O-C 3.5Å; T380-G408 VanDerWaalsContact O-CA 3.25Å; T380-G408 WeakPolarHBondContact O-CA 3.2Å; T380-V409 PolarHBondContact O-N 3.4Å; T380-C433 HydrophobicContact CG2-CB 4.47Å; T380-V434 CarbonylContact C-O 3.54Å; T380-V434 WeakPolarHBondContact CA-O 3.3Å |
| 381 | W | 91.2 | Very high | 86.8 | Confident | 18 Ų | 18 | 36.8 Ų | 36.8 | 7% | 0.068 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 128.1 | 162.1 | 175.8 | 80.2 | 0 | 0 | 0 | 108 | A343 F344 L355 V383 A406 C433 V434 Y439 | A343-W381 HydrophobicContact CB-CH2 4.47Å; A343-W381 HydrophobicContact CB-CZ2 4.28Å; F344-W381 HydrophobicContact CD1-CH2 4.39Å; F344-W381 AromaticContact CE1-CH2 3.81Å; F344-W381 HydrophobicContact CE1-CH2 3.81Å; F344-W381 AromaticContact CE1-CZ3 3.97Å; F344-W381 HydrophobicContact CE1-CZ3 3.97Å; F344-W381 AromaticContact CE2-CH2 3.94Å; F344-W381 HydrophobicContact CE2-CH2 3.94Å; F344-W381 HydrophobicContact CE2-CZ3 4.41Å; F344-W381 AromaticContact CZ-CH2 3.55Å; F344-W381 HydrophobicContact CZ-CH2 3.55Å; F344-W381 AromaticContact CZ-CZ3 3.66Å; F344-W381 HydrophobicContact CZ-CZ3 3.66Å; L355-W381 HydrophobicContact CD1-CH2 4.41Å; L355-W381 HydrophobicContact CD1-CZ3 4.2Å; W381-V383 HydrophobicContact CE3-CG2 4.3Å; W381-V383 HydrophobicContact CH2-CG2 3.48Å; W381-V383 VanDerWaalsContact CH2-CG2 3.48Å; W381-V383 HydrophobicContact CZ2-CG2 3.69Å; W381-V383 HydrophobicContact CZ3-CG2 3.81Å; W381-A406 HydrophobicContact CZ2-CB 4.14Å; W381-C433 CarbonylContact O-C 3.52Å; W381-C433 WeakPolarHBondContact O-CA 3.07Å; W381-V434 HydrophobicContact CE3-CB 4.22Å; W381-V434 HydrophobicContact CE3-CG2 3.99Å; W381-V434 HydrophobicContact CZ3-CG2 4.33Å; W381-V434 PolarHBondContact N-O 3.24Å; W381-V434 PolarHBondContact O-N 3.49Å; W381-Y439 HydrophobicContact CB-CD1 4.1Å; W381-Y439 HydrophobicContact CB-CD2 3.73Å; W381-Y439 HydrophobicContact CB-CE1 4.35Å; W381-Y439 HydrophobicContact CB-CE2 4Å; W381-Y439 HydrophobicContact CB-CG 3.79Å; W381-Y439 AromaticContact CD1-CE2 3.84Å; W381-Y439 AromaticContact CD1-CZ 3.74Å; W381-Y439 AromaticContact CD2-CD2 3.84Å; W381-Y439 HydrophobicContact CD2-CD2 3.84Å; W381-Y439 AromaticContact CD2-CE2 3.53Å; W381-Y439 HydrophobicContact CD2-CE2 3.53Å; W381-Y439 AromaticContact CE2-CE2 3.85Å; W381-Y439 HydrophobicContact CE3-CD2 4.01Å; W381-Y439 HydrophobicContact CE3-CE2 4Å; W381-Y439 AromaticContact CG-CD2 3.74Å; W381-Y439 HydrophobicContact CG-CD2 3.74Å; W381-Y439 HydrophobicContact CG-CE1 4.33Å; W381-Y439 AromaticContact CG-CE2 3.52Å; W381-Y439 HydrophobicContact CG-CE2 3.52Å; W381-Y439 HydrophobicContact CG-CG 4.25Å; W381-Y439 AromaticContact CG-CZ 3.85Å |
| 382 | S | 91.4 | Very high | 86.7 | Confident | 5 Ų | 5 | 36.8 Ų | 36.8 | 4% | 0.035 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 134.7 | -164.2 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | A406 F407 L432 C433 | S382-A406 CarbonylContact O-C 3.5Å; S382-A406 WeakPolarHBondContact O-CA 3.47Å; S382-F407 PolarHBondContact N-O 2.96Å; S382-F407 WeakPolarHBondContact O-CD1 3.41Å; S382-F407 PolarHBondContact O-N 3.11Å; S382-L432 CarbonylContact C-O 3.57Å; S382-L432 WeakPolarHBondContact CA-O 3.15Å; S382-C433 PolarHBondContact OG-SG 3.02Å |
| 383 | V | 90.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 131.5 | -180 | -176.5 | 0 | 0 | 0 | 0 | 110.3 | L341 A343 F344 W381 L385 D405 A406 F431 L432 | L341-V383 HydrophobicContact CD1-CG1 4.5Å; A343-V383 HydrophobicContact CB-CB 4.35Å; A343-V383 HydrophobicContact CB-CG1 3.67Å; A343-V383 HydrophobicContact CB-CG2 3.66Å; F344-V383 HydrophobicContact CE2-CB 4.4Å; F344-V383 HydrophobicContact CE2-CG1 4.33Å; F344-V383 HydrophobicContact CE2-CG2 3.92Å; F344-V383 HydrophobicContact CZ-CG2 4.34Å; W381-V383 HydrophobicContact CE3-CG2 4.3Å; W381-V383 HydrophobicContact CH2-CG2 3.48Å; W381-V383 VanDerWaalsContact CH2-CG2 3.48Å; W381-V383 HydrophobicContact CZ2-CG2 3.69Å; W381-V383 HydrophobicContact CZ3-CG2 3.81Å; V383-L385 PolarHBondContact O-N 3.5Å; V383-D405 WeakPolarHBondContact CA-O 3.44Å; V383-A406 HydrophobicContact CG2-CB 4.06Å; V383-F431 CarbonylContact O-C 3.52Å; V383-F431 WeakPolarHBondContact O-CA 3.49Å; V383-L432 HydrophobicContact CB-CB 4.5Å; V383-L432 PolarHBondContact N-O 2.93Å; V383-L432 PolarHBondContact O-N 3.43Å |
| 384 | V | 86.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 118.2 | 176.9 | -174.3 | 0 | 0 | 0 | 0 | 109.7 | G387 L401 T402 R403 G404 D405 F407 F431 | V384-G387 WeakPolarHBondContact CG1-O 3.28Å; V384-L401 HydrophobicContact CG2-CB 4.35Å; V384-T402 WeakPolarHBondContact CB-O 3.47Å; V384-R403 WeakPolarHBondContact O-CA 3.45Å; V384-G404 PolarHBondContact O-N 3.03Å; V384-D405 PolarHBondContact N-O 2.99Å; V384-F407 HydrophobicContact CG2-CD1 4.4Å; V384-F407 HydrophobicContact CG2-CE1 3.93Å; V384-F431 HydrophobicContact CG2-CD1 4.18Å; V384-F431 HydrophobicContact CG2-CE1 4.12Å |
| 385 | L | 82.6 | Confident | 85.5 | Confident | 8 Ų | 8 | 41 Ų | 41 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -29.3 | 178.3 | -176.9 | 64.1 | 0 | 0 | 0 | 112.8 | W316 I319 L341 L361 V383 R403 H430 L432 | W316-L385 HydrophobicContact CH2-CD2 3.64Å; W316-L385 HydrophobicContact CH2-CG 4.29Å; W316-L385 HydrophobicContact CZ3-CD2 3.74Å; I319-L385 HydrophobicContact CD1-CD2 4.4Å; L341-L385 HydrophobicContact CD1-CD1 4.23Å; L361-L385 HydrophobicContact CD1-CD2 3.9Å; V383-L385 PolarHBondContact O-N 3.5Å; L385-R403 WeakPolarHBondContact O-CD 3.42Å; L385-R403 VanDerWaalsContact O-CG 3.31Å; L385-R403 WeakPolarHBondContact O-CG 3.4Å; L385-R403 PolarHBondContact O-NE 3.32Å; L385-H430 HydrophobicContact CB-CB 4.17Å; L385-H430 PolarHBondContact N-O 3Å; L385-L432 HydrophobicContact CB-CG 4.22Å; L385-L432 HydrophobicContact CD1-CD1 4.26Å; L385-L432 HydrophobicContact CD2-CD1 4.28Å; L385-L432 HydrophobicContact CD2-CD2 4.02Å; L385-L432 HydrophobicContact CD2-CG 4.07Å |
| 386 | N | 82.5 | Confident | 85 | Confident | 70 Ų | 70 | 42 Ų | 42 | 37% | 0.374 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 155.4 | 174.1 | -170 | 54 | 0 | 0 | 0 | 110.7 | D428 C429 H430 | N386-D428 PolarHBondContact ND2-O 2.73Å; N386-C429 WeakPolarHBondContact O-CA 3.28Å; N386-H430 HydrophobicContact CB-CB 3.74Å; N386-H430 PolarHBondContact N-O 2.69Å; N386-H430 PolarHBondContact O-N 3.43Å |
| 387 | G | 79.4 | Confident | 84.5 | Confident | 13 Ų | 13 | 40.9 Ų | 40.9 | 13% | 0.134 | 23% | 0.232 | C | C | . | . | S | Bend | trans | 76 | -173.6 | 180 | 0 | 0 | 0 | 0 | 0 | 114.2 | V384 T426 | V384-G387 WeakPolarHBondContact CG1-O 3.28Å; G387-T426 WeakPolarHBondContact CA-OG1 3.34Å |
| 388 | T | 83.7 | Confident | 84.3 | Confident | 26 Ų | 26 | 38.4 Ų | 38.4 | 16% | 0.16 | 22% | 0.215 | C | C | . | . | trans | -136.7 | 149.2 | 175.2 | 71.5 | 0 | 0 | 0 | 0 | 112.4 | E400 L401 T402 V425 T426 C429 | T388-E400 WeakPolarHBondContact CB-OE1 3.28Å; T388-E400 PolarHBondContact OG1-OE1 2.96Å; T388-L401 WeakPolarHBondContact CA-O 3.3Å; T388-L401 WeakPolarHBondContact CB-O 3.37Å; T388-T402 HydrophobicContact CG2-CG2 3.88Å; T388-V425 PolarHBondContact O-N 3.18Å; T388-T426 PolarHBondContact N-OG1 3.11Å; T388-C429 PolarHBondContact O-SG 3.15Å; T388-C429 VanDerWaalsContact O-SG 3.4Å | ||
| 389 | V | 87.7 | Confident | 84 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 139.6 | 179.8 | -64.9 | 0 | 0 | 0 | 0 | 110.5 | V371 E400 L401 M422 R423 T424 F431 | V371-V389 HydrophobicContact CG2-CG1 4.23Å; V389-E400 CarbonylContact O-C 3.58Å; V389-E400 WeakPolarHBondContact O-CA 3.26Å; V389-E400 VanDerWaalsContact O-CG 3.22Å; V389-E400 WeakPolarHBondContact O-CG 3.4Å; V389-L401 HydrophobicContact CG2-CB 3.79Å; V389-L401 HydrophobicContact CG2-CD1 4.3Å; V389-L401 HydrophobicContact CG2-CG 4.33Å; V389-L401 PolarHBondContact N-O 2.71Å; V389-L401 PolarHBondContact O-N 3.25Å; V389-M422 HydrophobicContact CB-CG 3.88Å; V389-M422 HydrophobicContact CB-SD 4.12Å; V389-M422 HydrophobicContact CG1-CG 4.48Å; V389-M422 HydrophobicContact CG1-SD 4.43Å; V389-M422 HydrophobicContact CG2-CE 4.17Å; V389-M422 HydrophobicContact CG2-CG 4.05Å; V389-M422 HydrophobicContact CG2-SD 3.77Å; V389-R423 CarbonylContact C-O 3.52Å; V389-R423 VanDerWaalsContact CA-O 3.23Å; V389-R423 WeakPolarHBondContact CA-O 3.47Å; V389-R423 WeakPolarHBondContact CB-O 3.48Å; V389-T424 HydrophobicContact CG1-CG2 4.21Å; V389-F431 HydrophobicContact CG1-CE1 3.76Å; V389-F431 HydrophobicContact CG1-CZ 3.56Å |
| 390 | E | 89.8 | Confident | 83.8 | Confident | 12 Ų | 12 | 38.5 Ų | 38.5 | 6% | 0.056 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 131.5 | 174.8 | 68.1 | -178.9 | 130 | 0 | 0 | 111.4 | I392 I398 E400 M422 R423 V425 | E390-I392 HydrophobicContact CG-CG1 4.43Å; E390-I398 HydrophobicContact CB-CG2 3.81Å; E390-I398 HydrophobicContact CG-CG2 4.44Å; E390-I398 WeakPolarHBondContact OE2-CG2 3.48Å; E390-E400 HydrophobicContact CB-CB 4.48Å; E390-E400 HydrophobicContact CB-CG 4.32Å; E390-M422 CarbonylContact O-C 3.55Å; E390-M422 VanDerWaalsContact O-CA 3.27Å; E390-M422 WeakPolarHBondContact O-CA 3.34Å; E390-R423 VanDerWaalsContact CD-NE 3.27Å; E390-R423 HydrophobicContact CG-CG 3.58Å; E390-R423 PolarHBondContact N-O 3.43Å; E390-R423 PolarHBondContact O-N 2.7Å; E390-R423 IonicContact OE1-CZ 3.7Å; E390-R423 IonicContact OE1-NE 2.72Å; E390-R423 PolarHBondContact OE1-NE 3.12Å; E390-R423 IonicContact OE1-NH2 2.75Å; E390-R423 PolarHBondContact OE1-NH2 2.8Å; E390-R423 IonicContact OE2-CZ 3.22Å; E390-R423 IonicContact OE2-NE 3.68Å; E390-R423 IonicContact OE2-NH2 2.82Å; E390-R423 PolarHBondContact OE2-NH2 2.83Å; E390-V425 HydrophobicContact CB-CG2 3.72Å; E390-V425 HydrophobicContact CG-CG2 3.66Å |
| 391 | V | 87.2 | Confident | 83.4 | Confident | 5 Ų | 5 | 38.7 Ų | 38.7 | 3% | 0.03 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 114.2 | 173.1 | -176.2 | 0 | 0 | 0 | 0 | 108.1 | R399 H419 V421 M422 | V391-R399 HydrophobicContact CB-CB 4.43Å; V391-R399 PolarHBondContact N-O 3.45Å; V391-R399 PolarHBondContact O-N 3.36Å; V391-H419 VanDerWaalsContact CG1-O 3.3Å; V391-H419 WeakPolarHBondContact CG1-O 3.22Å; V391-V421 WeakPolarHBondContact CA-O 3.45Å; V391-M422 HydrophobicContact CG2-CB 4.04Å; V391-M422 HydrophobicContact CG2-CE 3.56Å; V391-M422 HydrophobicContact CG2-CG 4.04Å |
| 392 | I | 86.7 | Confident | 83.1 | Confident | 33 Ų | 33 | 40.2 Ų | 40.2 | 17% | 0.169 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 106.8 | -178.6 | -50.3 | 165.8 | 0 | 0 | 0 | 107.6 | E390 T397 G420 V421 R423 | E390-I392 HydrophobicContact CG-CG1 4.43Å; I392-T397 CarbonylContact C-O 3.52Å; I392-T397 WeakPolarHBondContact CA-O 3.36Å; I392-G420 CarbonylContact O-C 3.45Å; I392-G420 WeakPolarHBondContact O-CA 3.38Å; I392-V421 PolarHBondContact N-O 2.83Å; I392-V421 PolarHBondContact O-N 2.67Å; I392-R423 VanDerWaalsContact CD1-CZ 3.44Å; I392-R423 VanDerWaalsContact CD1-NH1 3.33Å |
| 393 | E | 83.2 | Confident | 82.5 | Confident | 44 Ų | 44 | 47.7 Ų | 47.7 | 21% | 0.206 | 25% | 0.246 | C | C | . | . | trans | -74.2 | 161.3 | 179.6 | -68.8 | -158.6 | 115.5 | 0 | 0 | 112.3 | D395 D396 T397 R399 | E393-D395 WeakPolarHBondContact CB-OD1 3.24Å; E393-D395 PolarHBondContact O-N 3.14Å; E393-D396 PolarHBondContact O-N 3.43Å; E393-T397 PolarHBondContact N-O 2.88Å; E393-R399 IonicContact OE1-CZ 2.7Å; E393-R399 IonicContact OE1-NH1 3.55Å; E393-R399 PolarHBondContact OE1-NH1 2.91Å; E393-R399 IonicContact OE1-NH2 2.6Å; E393-R399 PolarHBondContact OE1-NH2 2.85Å; E393-R399 IonicContact OE2-CZ 2.73Å; E393-R399 IonicContact OE2-NE 3.33Å; E393-R399 IonicContact OE2-NH1 3.84Å; E393-R399 PolarHBondContact OE2-NH1 2.84Å; E393-R399 IonicContact OE2-NH2 3.41Å | ||
| 394 | P | 76.1 | Confident | 81.6 | Confident | 107 Ų | 107 | 47.7 Ų | 47.7 | 70% | 0.695 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -3.3 | -178.7 | -25.1 | 36.2 | 0 | 0 | 0 | 115.9 | ||
| 395 | D | 79.8 | Confident | 81.5 | Confident | 107 Ų | 107 | 49.1 Ų | 49.1 | 57% | 0.572 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 16.1 | 173.7 | 65.6 | -4.7 | 0 | 0 | 0 | 113.4 | E393 T397 | E393-D395 WeakPolarHBondContact CB-OD1 3.24Å; E393-D395 PolarHBondContact O-N 3.14Å; D395-T397 PolarHBondContact O-N 2.74Å; D395-T397 VanDerWaalsContact OD1-CB 3.29Å; D395-T397 WeakPolarHBondContact OD1-CB 3.34Å; D395-T397 VanDerWaalsContact OD1-CG2 3.32Å; D395-T397 WeakPolarHBondContact OD1-CG2 3.3Å; D395-T397 PolarHBondContact OD1-N 2.75Å; D395-T397 VanDerWaalsContact OD1-N 3.08Å; D395-T397 PolarHBondContact OD1-OG1 2.84Å |
| 396 | D | 73.6 | Confident | 81.6 | Confident | 114 Ų | 114 | 50.6 Ų | 50.6 | 61% | 0.61 | 27% | 0.267 | S | S | * | . | S | Bend | trans | 61.5 | 13.4 | -173.5 | -92.9 | -15.8 | 0 | 0 | 0 | 113.5 | K148 E393 | K148-D396 IonicContact NZ-OD2 2.76Å; K148-D396 PolarHBondContact NZ-OD2 3.46Å; E393-D396 PolarHBondContact O-N 3.43Å |
| 397 | T | 76.8 | Confident | 81.8 | Confident | 53 Ų | 53 | 48.2 Ų | 48.2 | 33% | 0.325 | 25% | 0.253 | S | S | . | . | trans | -79.7 | 141.9 | 173.2 | 68 | 0 | 0 | 0 | 0 | 112.5 | I392 E393 D395 | I392-T397 CarbonylContact C-O 3.52Å; I392-T397 WeakPolarHBondContact CA-O 3.36Å; E393-T397 PolarHBondContact N-O 2.88Å; D395-T397 PolarHBondContact O-N 2.74Å; D395-T397 VanDerWaalsContact OD1-CB 3.29Å; D395-T397 WeakPolarHBondContact OD1-CB 3.34Å; D395-T397 VanDerWaalsContact OD1-CG2 3.32Å; D395-T397 WeakPolarHBondContact OD1-CG2 3.3Å; D395-T397 PolarHBondContact OD1-N 2.75Å; D395-T397 VanDerWaalsContact OD1-N 3.08Å; D395-T397 PolarHBondContact OD1-OG1 2.84Å | ||
| 398 | I | 80.6 | Confident | 82 | Confident | 43 Ų | 43 | 48.1 Ų | 48.1 | 22% | 0.221 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 114 | -170.8 | -54.7 | 180 | 0 | 0 | 0 | 110.8 | N107 E390 | N107-I398 PolarHBondContact ND2-O 2.73Å; E390-I398 HydrophobicContact CB-CG2 3.81Å; E390-I398 HydrophobicContact CG-CG2 4.44Å; E390-I398 WeakPolarHBondContact OE2-CG2 3.48Å |
| 399 | R | 76.9 | Confident | 81.9 | Confident | 100 Ų | 100 | 47 Ų | 47 | 38% | 0.377 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 109.6 | 174.6 | -59.5 | -174.3 | -59.7 | -136.8 | -8.3 | 110 | V391 E393 H419 | V391-R399 HydrophobicContact CB-CB 4.43Å; V391-R399 PolarHBondContact N-O 3.45Å; V391-R399 PolarHBondContact O-N 3.36Å; E393-R399 IonicContact OE1-CZ 2.7Å; E393-R399 IonicContact OE1-NH1 3.55Å; E393-R399 PolarHBondContact OE1-NH1 2.91Å; E393-R399 IonicContact OE1-NH2 2.6Å; E393-R399 PolarHBondContact OE1-NH2 2.85Å; E393-R399 IonicContact OE2-CZ 2.73Å; E393-R399 IonicContact OE2-NE 3.33Å; E393-R399 IonicContact OE2-NH1 3.84Å; E393-R399 PolarHBondContact OE2-NH1 2.84Å; E393-R399 IonicContact OE2-NH2 3.41Å; R399-H419 PolarHBondContact NH2-O 3.1Å |
| 400 | E | 83.3 | Confident | 81.2 | Confident | 17 Ų | 17 | 55.6 Ų | 55.6 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 137.7 | 176.9 | -158.5 | -172.2 | 135.4 | 0 | 0 | 111.2 | N105 R111 T388 V389 E390 V425 | N105-E400 HydrophobicContact CB-CB 4.31Å; N105-E400 VanDerWaalsContact CB-OE2 3.24Å; N105-E400 WeakPolarHBondContact CB-OE2 3.4Å; N105-E400 PolarHBondContact ND2-OE1 2.83Å; N105-E400 PolarHBondContact ND2-OE2 2.95Å; R111-E400 PolarHBondContact NH1-O 3.21Å; T388-E400 WeakPolarHBondContact CB-OE1 3.28Å; T388-E400 PolarHBondContact OG1-OE1 2.96Å; V389-E400 CarbonylContact O-C 3.58Å; V389-E400 WeakPolarHBondContact O-CA 3.26Å; V389-E400 VanDerWaalsContact O-CG 3.22Å; V389-E400 WeakPolarHBondContact O-CG 3.4Å; E390-E400 HydrophobicContact CB-CB 4.48Å; E390-E400 HydrophobicContact CB-CG 4.32Å; E400-V425 HydrophobicContact CG-CG2 4.39Å |
| 401 | L | 82 | Confident | 80.1 | Confident | 38 Ų | 38 | 59.3 Ų | 59.3 | 20% | 0.199 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 142.1 | 172.8 | -50.6 | 177.2 | 0 | 0 | 0 | 109 | V384 T388 V389 D405 F407 M422 | V384-L401 HydrophobicContact CG2-CB 4.35Å; T388-L401 WeakPolarHBondContact CA-O 3.3Å; T388-L401 WeakPolarHBondContact CB-O 3.37Å; V389-L401 HydrophobicContact CG2-CB 3.79Å; V389-L401 HydrophobicContact CG2-CD1 4.3Å; V389-L401 HydrophobicContact CG2-CG 4.33Å; V389-L401 PolarHBondContact N-O 2.71Å; V389-L401 PolarHBondContact O-N 3.25Å; L401-D405 WeakPolarHBondContact CA-OD2 3.43Å; L401-D405 HydrophobicContact CB-CB 4.08Å; L401-D405 HydrophobicContact CD2-CB 4.39Å; L401-F407 HydrophobicContact CD1-CB 3.91Å; L401-F407 HydrophobicContact CD1-CD1 3.79Å; L401-F407 HydrophobicContact CD1-CG 4.06Å; L401-M422 HydrophobicContact CD1-CE 3.81Å |
| 402 | T | 85.1 | Confident | 78.8 | Confident | 49 Ų | 49 | 63.3 Ų | 63.3 | 30% | 0.301 | 34% | 0.34 | S | S | . | . | trans | -129.8 | 173.4 | -170 | 68.5 | 0 | 0 | 0 | 0 | 110.8 | V384 T388 G404 D405 | V384-T402 WeakPolarHBondContact CB-O 3.47Å; T388-T402 HydrophobicContact CG2-CG2 3.88Å; T402-G404 PolarHBondContact O-N 2.84Å; T402-G404 VanDerWaalsContact O-N 3.08Å; T402-D405 PolarHBondContact N-OD2 2.77Å; T402-D405 WeakPolarHBondContact O-CB 3.11Å; T402-D405 VanDerWaalsContact O-CG 3.28Å; T402-D405 PolarHBondContact O-N 2.97Å; T402-D405 PolarHBondContact OG1-OD2 2.81Å; T402-D405 VanDerWaalsContact OG1-OD2 3.11Å | ||
| 403 | R | 77.9 | Confident | 77.4 | Confident | 162 Ų | 162 | 69 Ų | 69 | 61% | 0.611 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 114.4 | -177.9 | 179.1 | 174.8 | -173.2 | -130.7 | -8.5 | 112.4 | V384 L385 | V384-R403 WeakPolarHBondContact O-CA 3.45Å; L385-R403 WeakPolarHBondContact O-CD 3.42Å; L385-R403 VanDerWaalsContact O-CG 3.31Å; L385-R403 WeakPolarHBondContact O-CG 3.4Å; L385-R403 PolarHBondContact O-NE 3.32Å |
| 404 | G | 72.5 | Confident | 76 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 117.1 | -19.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | A343 V384 T402 | A343-G404 WeakPolarHBondContact CB-O 3.31Å; A343-G404 PolarHBondContact N-O 3.03Å; V384-G404 PolarHBondContact O-N 3.03Å; T402-G404 PolarHBondContact O-N 2.84Å; T402-G404 VanDerWaalsContact O-N 3.08Å |
| 405 | D | 83.2 | Confident | 75.4 | Confident | 30 Ų | 30 | 74.4 Ų | 74.4 | 16% | 0.16 | 39% | 0.392 | C | S | . | . | trans | -81.4 | 144.3 | -173.2 | -59.4 | -17.9 | 0 | 0 | 0 | 112.1 | V383 V384 L401 T402 | V383-D405 WeakPolarHBondContact CA-O 3.44Å; V384-D405 PolarHBondContact N-O 2.99Å; L401-D405 WeakPolarHBondContact CA-OD2 3.43Å; L401-D405 HydrophobicContact CB-CB 4.08Å; L401-D405 HydrophobicContact CD2-CB 4.39Å; T402-D405 PolarHBondContact N-OD2 2.77Å; T402-D405 WeakPolarHBondContact O-CB 3.11Å; T402-D405 VanDerWaalsContact O-CG 3.28Å; T402-D405 PolarHBondContact O-N 2.97Å; T402-D405 PolarHBondContact OG1-OD2 2.81Å; T402-D405 VanDerWaalsContact OG1-OD2 3.11Å | ||
| 406 | A | 85.4 | Confident | 75 | Confident | 39 Ų | 39 | 70 Ų | 70 | 32% | 0.322 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 134.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A343 W381 S382 V383 | A343-A406 HydrophobicContact CB-CB 3.83Å; W381-A406 HydrophobicContact CZ2-CB 4.14Å; S382-A406 CarbonylContact O-C 3.5Å; S382-A406 WeakPolarHBondContact O-CA 3.47Å; V383-A406 HydrophobicContact CG2-CB 4.06Å |
| 407 | F | 87.1 | Confident | 75.4 | Confident | 21 Ų | 21 | 67.7 Ų | 67.7 | 9% | 0.092 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | -177.8 | 176.8 | 64.8 | -85.3 | 0 | 0 | 0 | 111.6 | L372 S382 V384 L401 M422 F431 | L372-F407 HydrophobicContact CD1-CD2 3.99Å; L372-F407 HydrophobicContact CD1-CE2 3.88Å; S382-F407 PolarHBondContact N-O 2.96Å; S382-F407 WeakPolarHBondContact O-CD1 3.41Å; S382-F407 PolarHBondContact O-N 3.11Å; V384-F407 HydrophobicContact CG2-CD1 4.4Å; V384-F407 HydrophobicContact CG2-CE1 3.93Å; L401-F407 HydrophobicContact CD1-CB 3.91Å; L401-F407 HydrophobicContact CD1-CD1 3.79Å; L401-F407 HydrophobicContact CD1-CG 4.06Å; F407-M422 HydrophobicContact CD1-CE 4.29Å; F407-M422 HydrophobicContact CD2-CE 3.73Å; F407-M422 HydrophobicContact CD2-SD 4.4Å; F407-M422 HydrophobicContact CE1-CE 4.42Å; F407-M422 HydrophobicContact CE2-CE 3.87Å; F407-M422 HydrophobicContact CE2-SD 3.92Å; F407-M422 HydrophobicContact CG-CE 3.95Å; F407-M422 HydrophobicContact CZ-CE 4.21Å; F407-M422 HydrophobicContact CZ-SD 4Å; F407-F431 AromaticContact CE1-CD1 3.79Å; F407-F431 HydrophobicContact CE1-CD1 3.79Å; F407-F431 HydrophobicContact CE1-CE1 4.08Å; F407-F431 AromaticContact CZ-CD1 3.69Å; F407-F431 HydrophobicContact CZ-CD1 3.69Å; F407-F431 AromaticContact CZ-CE1 3.97Å; F407-F431 HydrophobicContact CZ-CE1 3.97Å |
| 408 | G | 84.3 | Confident | 75.8 | Confident | 11 Ų | 11 | 66 Ų | 66 | 11% | 0.113 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 92.2 | -149.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T380 | T380-G408 CarbonylContact O-C 3.5Å; T380-G408 VanDerWaalsContact O-CA 3.25Å; T380-G408 WeakPolarHBondContact O-CA 3.2Å |
| 409 | V | 81.4 | Confident | 75.8 | Confident | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.006 | 36% | 0.357 | C | S | . | . | trans | -61.9 | 141.7 | -172.4 | 175.1 | 0 | 0 | 0 | 0 | 112.5 | L378 T380 Q436 | L378-V409 HydrophobicContact CB-CG2 3.93Å; L378-V409 WeakPolarHBondContact O-CG2 3.23Å; T380-V409 PolarHBondContact O-N 3.4Å; V409-Q436 HydrophobicContact CG1-CG 4.08Å; V409-Q436 HydrophobicContact CG2-CB 4.15Å; V409-Q436 HydrophobicContact CG2-CG 4.25Å | ||
| 410 | R | 73.4 | Confident | 76.2 | Confident | 181 Ų | 181 | 64 Ų | 64 | 68% | 0.683 | 34% | 0.34 | S | S | * | . | trans | -124.6 | 150.2 | 174.8 | -63.3 | -178.9 | 179 | 177.4 | -2.1 | 110.6 | ||||
| 411 | L | 66.4 | Low | 76.5 | Confident | 90 Ų | 90 | 65.4 Ų | 65.4 | 47% | 0.471 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 148.6 | -179 | -56.4 | 172.5 | 0 | 0 | 0 | 111.8 | Y439 M443 | L411-Y439 HydrophobicContact CD2-CD1 4.44Å; L411-Y439 HydrophobicContact CD2-CE1 3.97Å; L411-Y439 HydrophobicContact CG-CE1 4.32Å; L411-M443 HydrophobicContact CD1-CB 3.81Å; L411-M443 HydrophobicContact CD1-CE 3.94Å; L411-M443 HydrophobicContact CD1-CG 4.33Å; L411-M443 HydrophobicContact CD2-CB 3.62Å; L411-M443 HydrophobicContact CD2-CG 4.15Å; L411-M443 HydrophobicContact CG-CB 4.3Å |
| 412 | G | 59.1 | Low | 76.9 | Confident | 89 Ų | 89 | 63.6 Ų | 63.6 | 92% | 0.918 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | 0.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 413 | K | 58 | Low | 77.1 | Confident | 153 Ų | 153 | 64 Ų | 64 | 67% | 0.665 | 34% | 0.335 | S | S | * | . | trans | -122.9 | 116.9 | 169.4 | -71.3 | -173.9 | 179.4 | -176.1 | 0 | 111.3 | ||||
| 414 | T | 52.1 | Low | 77.7 | Confident | 129 Ų | 129 | 56.3 Ų | 56.3 | 79% | 0.791 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -65.1 | 138.6 | 151 | 49.7 | 0 | 0 | 0 | 0 | 107.9 | ||
| 415 | D | 63.7 | Low | 78.4 | Confident | 135 Ų | 135 | 58.1 Ų | 58.1 | 72% | 0.722 | 32% | 0.317 | S | S | * | . | S | Bend | trans | 61.6 | 77.8 | -178.7 | -44.9 | -28.2 | 0 | 0 | 0 | 113.5 | ||
| 416 | C | 71.6 | Confident | 78.3 | Confident | 14 Ų | 14 | 59.1 Ų | 59.1 | 10% | 0.095 | 33% | 0.325 | C | S | . | . | trans | -85.2 | 133.6 | 165.8 | -72.2 | 0 | 0 | 0 | 0 | 109.6 | L378 | L378-C416 HydrophobicContact CB-CB 4.11Å; L378-C416 HydrophobicContact CD1-CB 4.26Å; L378-C416 PolarHBondContact N-O 3.47Å | ||
| 417 | I | 81.9 | Confident | 78.1 | Confident | 67 Ų | 67 | 64.1 Ų | 64.1 | 34% | 0.344 | 34% | 0.341 | S | S | . | . | B | Isolated β-bridge | trans | -122.8 | 145.7 | 174.3 | 64.7 | 177.9 | 0 | 0 | 0 | 110.9 | N375 E376 V377 H419 | N375-I417 HydrophobicContact CB-CD1 4.45Å; E376-I417 CarbonylContact O-C 3.56Å; E376-I417 VanDerWaalsContact O-CA 3.31Å; E376-I417 WeakPolarHBondContact O-CA 3.12Å; V377-I417 HydrophobicContact CG2-CG2 4.27Å; I417-H419 PolarHBondContact O-ND1 3.38Å |
| 418 | H | 85.1 | Confident | 77.9 | Confident | 18 Ų | 18 | 65.3 Ų | 65.3 | 8% | 0.083 | 35% | 0.349 | C | S | . | . | trans | -67.3 | 148.7 | 171.6 | -163.9 | 52.8 | 0 | 0 | 0 | 110.4 | L372 N375 E376 L378 G420 | L372-H418 HydrophobicContact CB-CB 4.43Å; L372-H418 VanDerWaalsContact CB-CD2 3.47Å; L372-H418 WeakPolarHBondContact CB-CD2 3.38Å; N375-H418 VanDerWaalsContact CA-O 3.28Å; N375-H418 WeakPolarHBondContact CA-O 3.33Å; N375-H418 PolarHBondContact N-O 2.94Å; E376-H418 PolarHBondContact O-N 3.43Å; L378-H418 HydrophobicContact CD2-CB 4.01Å; L378-H418 HydrophobicContact CG-CB 4.32Å; H418-G420 PolarHBondContact CD2-O 3.36Å; H418-G420 PolarHBondContact NE2-O 2.84Å | ||
| 419 | H | 81.6 | Confident | 77.9 | Confident | 100 Ų | 100 | 64.8 Ų | 64.8 | 46% | 0.463 | 34% | 0.344 | S | S | . | . | trans | -130.2 | 122.1 | 179.5 | -71.6 | 59.7 | 0 | 0 | 0 | 107.8 | V391 R399 I417 | V391-H419 VanDerWaalsContact CG1-O 3.3Å; V391-H419 WeakPolarHBondContact CG1-O 3.22Å; R399-H419 PolarHBondContact NH2-O 3.1Å; I417-H419 PolarHBondContact O-ND1 3.38Å | ||
| 420 | G | 85.9 | Confident | 78.3 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | S | Bend | trans | 84.9 | 172.9 | -163.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D374 I392 H418 | D374-G420 WeakPolarHBondContact CA-O 3.21Å; D374-G420 PolarHBondContact N-O 3.34Å; D374-G420 PolarHBondContact OD1-N 2.86Å; I392-G420 CarbonylContact O-C 3.45Å; I392-G420 WeakPolarHBondContact O-CA 3.38Å; H418-G420 PolarHBondContact CD2-O 3.36Å; H418-G420 PolarHBondContact NE2-O 2.84Å |
| 421 | V | 89 | Confident | 79.1 | Confident | 46 Ų | 46 | 57.7 Ų | 57.7 | 28% | 0.279 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 119.8 | 175.4 | -179.2 | 0 | 0 | 0 | 0 | 109 | I370 D374 V391 I392 | I370-V421 HydrophobicContact CD1-CG1 3.92Å; I370-V421 HydrophobicContact CG1-CG1 3.94Å; I370-V421 HydrophobicContact CG2-CG1 3.83Å; D374-V421 HydrophobicContact CB-CG2 4Å; V391-V421 WeakPolarHBondContact CA-O 3.45Å; I392-V421 PolarHBondContact N-O 2.83Å; I392-V421 PolarHBondContact O-N 2.67Å |
| 422 | M | 90.7 | Very high | 80.3 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 126.3 | 172.7 | -173.5 | -179.4 | -74.1 | 0 | 0 | 110.5 | I370 V371 L372 V389 E390 V391 L401 F407 | I370-M422 CarbonylContact C-O 3.21Å; I370-M422 WeakPolarHBondContact CA-O 3.41Å; V371-M422 HydrophobicContact CB-CB 4.32Å; V371-M422 HydrophobicContact CB-CG 3.97Å; V371-M422 HydrophobicContact CB-SD 3.91Å; V371-M422 HydrophobicContact CG1-SD 3.99Å; V371-M422 HydrophobicContact CG2-CG 4.3Å; V371-M422 HydrophobicContact CG2-SD 4.48Å; V371-M422 PolarHBondContact N-O 3.15Å; L372-M422 HydrophobicContact CB-CB 4.04Å; L372-M422 HydrophobicContact CD1-CE 4.31Å; L372-M422 HydrophobicContact CD1-SD 4.34Å; L372-M422 PolarHBondContact N-O 3.12Å; L372-M422 PolarHBondContact O-N 3Å; V389-M422 HydrophobicContact CB-CG 3.88Å; V389-M422 HydrophobicContact CB-SD 4.12Å; V389-M422 HydrophobicContact CG1-CG 4.48Å; V389-M422 HydrophobicContact CG1-SD 4.43Å; V389-M422 HydrophobicContact CG2-CE 4.17Å; V389-M422 HydrophobicContact CG2-CG 4.05Å; V389-M422 HydrophobicContact CG2-SD 3.77Å; E390-M422 CarbonylContact O-C 3.55Å; E390-M422 VanDerWaalsContact O-CA 3.27Å; E390-M422 WeakPolarHBondContact O-CA 3.34Å; V391-M422 HydrophobicContact CG2-CB 4.04Å; V391-M422 HydrophobicContact CG2-CE 3.56Å; V391-M422 HydrophobicContact CG2-CG 4.04Å; L401-M422 HydrophobicContact CD1-CE 3.81Å; F407-M422 HydrophobicContact CD1-CE 4.29Å; F407-M422 HydrophobicContact CD2-CE 3.73Å; F407-M422 HydrophobicContact CD2-SD 4.4Å; F407-M422 HydrophobicContact CE1-CE 4.42Å; F407-M422 HydrophobicContact CE2-CE 3.87Å; F407-M422 HydrophobicContact CE2-SD 3.92Å; F407-M422 HydrophobicContact CG-CE 3.95Å; F407-M422 HydrophobicContact CZ-CE 4.21Å; F407-M422 HydrophobicContact CZ-SD 4Å |
| 423 | R | 89.9 | Confident | 81.9 | Confident | 56 Ų | 56 | 50.5 Ų | 50.5 | 21% | 0.211 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 153 | 168 | 69 | 177.4 | -177.9 | -132.4 | -14.4 | 112.2 | P146 Q369 I370 V389 E390 I392 | P146-R423 VanDerWaalsContact CG-NH2 3.31Å; Q369-R423 CarbonylContact O-C 3.5Å; Q369-R423 VanDerWaalsContact O-CA 3.22Å; Q369-R423 WeakPolarHBondContact O-CA 3.23Å; I370-R423 HydrophobicContact CG1-CB 4.47Å; V389-R423 CarbonylContact C-O 3.52Å; V389-R423 VanDerWaalsContact CA-O 3.23Å; V389-R423 WeakPolarHBondContact CA-O 3.47Å; V389-R423 WeakPolarHBondContact CB-O 3.48Å; E390-R423 VanDerWaalsContact CD-NE 3.27Å; E390-R423 HydrophobicContact CG-CG 3.58Å; E390-R423 PolarHBondContact N-O 3.43Å; E390-R423 PolarHBondContact O-N 2.7Å; E390-R423 IonicContact OE1-CZ 3.7Å; E390-R423 IonicContact OE1-NE 2.72Å; E390-R423 PolarHBondContact OE1-NE 3.12Å; E390-R423 IonicContact OE1-NH2 2.75Å; E390-R423 PolarHBondContact OE1-NH2 2.8Å; E390-R423 IonicContact OE2-CZ 3.22Å; E390-R423 IonicContact OE2-NE 3.68Å; E390-R423 IonicContact OE2-NH2 2.82Å; E390-R423 PolarHBondContact OE2-NH2 2.83Å; I392-R423 VanDerWaalsContact CD1-CZ 3.44Å; I392-R423 VanDerWaalsContact CD1-NH1 3.33Å |
| 424 | T | 89.2 | Confident | 83.4 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 140.6 | 168.5 | 52 | 0 | 0 | 0 | 0 | 110.9 | I364 E366 A367 G368 Q369 V371 V389 C429 | I364-T424 HydrophobicContact CB-CG2 4.13Å; I364-T424 HydrophobicContact CG2-CG2 3.66Å; E366-T424 PolarHBondContact O-OG1 2.9Å; A367-T424 WeakPolarHBondContact CA-OG1 3.45Å; G368-T424 VanDerWaalsContact CA-O 3.26Å; G368-T424 WeakPolarHBondContact CA-O 3.21Å; G368-T424 PolarHBondContact N-O 3.5Å; G368-T424 PolarHBondContact N-OG1 2.89Å; Q369-T424 PolarHBondContact N-OG1 3.06Å; Q369-T424 PolarHBondContact O-N 2.66Å; Q369-T424 PolarHBondContact O-OG1 3.02Å; V371-T424 HydrophobicContact CG2-CG2 3.82Å; V389-T424 HydrophobicContact CG1-CG2 4.21Å; T424-C429 HydrophobicContact CG2-CB 3.78Å |
| 425 | V | 87.3 | Confident | 85.2 | Confident | 38 Ų | 38 | 39.6 Ų | 39.6 | 23% | 0.23 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -101.9 | -37.6 | 171.6 | -178.9 | 0 | 0 | 0 | 0 | 109.8 | T388 E390 E400 | T388-V425 PolarHBondContact O-N 3.18Å; E390-V425 HydrophobicContact CB-CG2 3.72Å; E390-V425 HydrophobicContact CG-CG2 3.66Å; E400-V425 HydrophobicContact CG-CG2 4.39Å |
| 426 | T | 81.5 | Confident | 86.2 | Confident | 51 Ų | 51 | 36.1 Ų | 36.1 | 31% | 0.313 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -103.5 | 158.2 | 174.1 | 61.6 | 0 | 0 | 0 | 0 | 112.2 | G387 T388 C429 | G387-T426 WeakPolarHBondContact CA-OG1 3.34Å; T388-T426 PolarHBondContact N-OG1 3.11Å; T426-C429 PolarHBondContact O-SG 3.05Å; T426-C429 PolarHBondContact OG1-SG 3.11Å; T426-C429 VanDerWaalsContact OG1-SG 3.33Å |
| 427 | E | 80.1 | Confident | 86.9 | Confident | 144 Ų | 144 | 40.3 Ų | 40.3 | 67% | 0.673 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -67.6 | 163.4 | 163.5 | -63.6 | 176.9 | 165.8 | 0 | 0 | 110.8 | R365 A367 C429 | R365-E427 CarbonylContact O-C 3.59Å; R365-E427 WeakPolarHBondContact O-CA 3.19Å; R365-E427 VanDerWaalsContact O-CB 3.26Å; R365-E427 WeakPolarHBondContact O-CB 3.23Å; A367-E427 HydrophobicContact CB-CG 3.92Å; E427-C429 PolarHBondContact O-N 3.1Å |
| 428 | D | 84.2 | Confident | 87.2 | Confident | 47 Ų | 47 | 39.1 Ų | 39.1 | 25% | 0.251 | 21% | 0.206 | S | C | . | . | S | Bend | trans | 45 | 49.5 | -179.8 | -71.1 | -29.1 | 0 | 0 | 0 | 115.2 | I364 R365 N386 H430 | I364-D428 CarbonylContact O-C 3.52Å; I364-D428 WeakPolarHBondContact O-CA 3.49Å; I364-D428 PolarHBondContact O-N 3.12Å; R365-D428 WeakPolarHBondContact CG-OD1 3.15Å; R365-D428 PolarHBondContact O-N 2.7Å; N386-D428 PolarHBondContact ND2-O 2.73Å; D428-H430 PolarHBondContact O-CD2 3.4Å; D428-H430 VanDerWaalsContact O-CD2 3.28Å; D428-H430 PolarHBondContact O-N 2.76Å |
| 429 | C | 84.6 | Confident | 87.3 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 125.1 | 170.5 | -71.8 | 0 | 0 | 0 | 0 | 110.7 | I364 N386 T388 T424 T426 E427 F431 | I364-C429 HydrophobicContact CB-CB 4.45Å; I364-C429 PolarHBondContact N-O 3.34Å; I364-C429 PolarHBondContact O-N 3.29Å; N386-C429 WeakPolarHBondContact O-CA 3.28Å; T388-C429 PolarHBondContact O-SG 3.15Å; T388-C429 VanDerWaalsContact O-SG 3.4Å; T424-C429 HydrophobicContact CG2-CB 3.78Å; T426-C429 PolarHBondContact O-SG 3.05Å; T426-C429 PolarHBondContact OG1-SG 3.11Å; T426-C429 VanDerWaalsContact OG1-SG 3.33Å; E427-C429 PolarHBondContact O-N 3.1Å; C429-F431 HydrophobicContact CB-CE2 3.7Å; C429-F431 HydrophobicContact CB-CZ 3.68Å |
| 430 | H | 88.6 | Confident | 87.3 | Confident | 29 Ų | 29 | 37.4 Ų | 37.4 | 13% | 0.134 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 136.3 | -178.7 | -62.9 | 174.8 | 0 | 0 | 0 | 110.7 | W316 L361 A362 L385 N386 D428 | W316-H430 AromaticContact CH2-ND1 3.6Å; L361-H430 HydrophobicContact CD1-CB 4.22Å; A362-H430 WeakPolarHBondContact O-CA 3.49Å; L385-H430 HydrophobicContact CB-CB 4.17Å; L385-H430 PolarHBondContact N-O 3Å; N386-H430 HydrophobicContact CB-CB 3.74Å; N386-H430 PolarHBondContact N-O 2.69Å; N386-H430 PolarHBondContact O-N 3.43Å; D428-H430 PolarHBondContact O-CD2 3.4Å; D428-H430 VanDerWaalsContact O-CD2 3.28Å; D428-H430 PolarHBondContact O-N 2.76Å |
| 431 | F | 91.1 | Very high | 87.1 | Confident | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 135.6 | -178.1 | -48.6 | -90.4 | 0 | 0 | 0 | 111.4 | L361 A362 I364 V371 V383 V384 V389 F407 C429 | L361-F431 WeakPolarHBondContact CA-O 3.4Å; A362-F431 HydrophobicContact CB-CB 4.4Å; A362-F431 PolarHBondContact N-O 3.3Å; A362-F431 PolarHBondContact O-N 3.46Å; I364-F431 HydrophobicContact CB-CE2 4.25Å; I364-F431 HydrophobicContact CD1-CD2 4.37Å; I364-F431 HydrophobicContact CD1-CE2 3.68Å; I364-F431 HydrophobicContact CD1-CZ 4.39Å; I364-F431 HydrophobicContact CG1-CD2 4.43Å; I364-F431 HydrophobicContact CG1-CE2 3.88Å; V371-F431 HydrophobicContact CG1-CZ 4.43Å; V383-F431 CarbonylContact O-C 3.52Å; V383-F431 WeakPolarHBondContact O-CA 3.49Å; V384-F431 HydrophobicContact CG2-CD1 4.18Å; V384-F431 HydrophobicContact CG2-CE1 4.12Å; V389-F431 HydrophobicContact CG1-CE1 3.76Å; V389-F431 HydrophobicContact CG1-CZ 3.56Å; F407-F431 AromaticContact CE1-CD1 3.79Å; F407-F431 HydrophobicContact CE1-CD1 3.79Å; F407-F431 HydrophobicContact CE1-CE1 4.08Å; F407-F431 AromaticContact CZ-CD1 3.69Å; F407-F431 HydrophobicContact CZ-CD1 3.69Å; F407-F431 AromaticContact CZ-CE1 3.97Å; F407-F431 HydrophobicContact CZ-CE1 3.97Å; C429-F431 HydrophobicContact CB-CE2 3.7Å; C429-F431 HydrophobicContact CB-CZ 3.68Å |
| 432 | L | 91.2 | Very high | 86.9 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 108 | 168.7 | -64.6 | 176.7 | 0 | 0 | 0 | 109 | I319 V338 M359 L361 S382 V383 L385 | I319-L432 HydrophobicContact CD1-CD2 3.86Å; I319-L432 HydrophobicContact CG2-CD2 4.31Å; V338-L432 HydrophobicContact CG2-CD1 4.21Å; M359-L432 HydrophobicContact CE-CD1 4.46Å; M359-L432 HydrophobicContact SD-CD1 4.15Å; M359-L432 HydrophobicContact SD-CD2 4.25Å; L361-L432 HydrophobicContact CD1-CD2 3.9Å; S382-L432 CarbonylContact C-O 3.57Å; S382-L432 WeakPolarHBondContact CA-O 3.15Å; V383-L432 HydrophobicContact CB-CB 4.5Å; V383-L432 PolarHBondContact N-O 2.93Å; V383-L432 PolarHBondContact O-N 3.43Å; L385-L432 HydrophobicContact CB-CG 4.22Å; L385-L432 HydrophobicContact CD1-CD1 4.26Å; L385-L432 HydrophobicContact CD2-CD1 4.28Å; L385-L432 HydrophobicContact CD2-CD2 4.02Å; L385-L432 HydrophobicContact CD2-CG 4.07Å |
| 433 | C | 92.2 | Very high | 86.2 | Confident | 25 Ų | 25 | 41.6 Ų | 41.6 | 17% | 0.169 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 137.7 | -175.4 | -55 | 0 | 0 | 0 | 0 | 111 | M359 V360 T380 W381 S382 | M359-C433 WeakPolarHBondContact CA-O 3.46Å; V360-C433 PolarHBondContact N-O 2.93Å; V360-C433 PolarHBondContact O-N 3.3Å; T380-C433 HydrophobicContact CG2-CB 4.47Å; W381-C433 CarbonylContact O-C 3.52Å; W381-C433 WeakPolarHBondContact O-CA 3.07Å; S382-C433 PolarHBondContact OG-SG 3.02Å |
| 434 | V | 91.2 | Very high | 85.2 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 125.2 | 172.7 | -179.8 | 0 | 0 | 0 | 0 | 108.6 | L355 V358 M359 T380 W381 | L355-V434 HydrophobicContact CD2-CG1 4.13Å; L355-V434 HydrophobicContact CD2-CG2 4.24Å; V358-V434 HydrophobicContact CG2-CG1 3.73Å; V358-V434 HydrophobicContact CG2-CG2 4.46Å; M359-V434 HydrophobicContact CB-CG2 3.95Å; T380-V434 CarbonylContact C-O 3.54Å; T380-V434 WeakPolarHBondContact CA-O 3.3Å; W381-V434 HydrophobicContact CE3-CB 4.22Å; W381-V434 HydrophobicContact CE3-CG2 3.99Å; W381-V434 HydrophobicContact CZ3-CG2 4.33Å; W381-V434 PolarHBondContact N-O 3.24Å; W381-V434 PolarHBondContact O-N 3.49Å |
| 435 | P | 88.2 | Confident | 84 | Confident | 53 Ų | 53 | 49.1 Ų | 49.1 | 34% | 0.344 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 141.3 | 177.5 | -25 | 34.8 | 0 | 0 | 0 | 112.8 | T437 D438 Y439 | P435-T437 PolarHBondContact O-N 2.82Å; P435-T437 VanDerWaalsContact O-N 3.14Å; P435-D438 PolarHBondContact O-N 3.42Å; P435-Y439 PolarHBondContact O-N 3.44Å |
| 436 | Q | 86.4 | Confident | 82.8 | Confident | 62 Ų | 62 | 49.5 Ų | 49.5 | 29% | 0.29 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -50.9 | -39.9 | 179.2 | 172.5 | 173.2 | 53.7 | 0 | 0 | 112.8 | D379 V409 D438 V440 | D379-Q436 WeakPolarHBondContact O-CB 3.39Å; D379-Q436 PolarHBondContact O-N 2.89Å; V409-Q436 HydrophobicContact CG1-CG 4.08Å; V409-Q436 HydrophobicContact CG2-CB 4.15Å; V409-Q436 HydrophobicContact CG2-CG 4.25Å; Q436-D438 VanDerWaalsContact C-N 3.27Å; Q436-D438 PolarHBondContact O-N 3.39Å; Q436-V440 HydrophobicContact CG-CG2 4.05Å; Q436-V440 WeakPolarHBondContact O-CB 3.3Å; Q436-V440 VanDerWaalsContact O-CG2 3.31Å; Q436-V440 WeakPolarHBondContact O-CG2 3.48Å; Q436-V440 PolarHBondContact O-N 3.05Å |
| 437 | T | 85.2 | Confident | 81.4 | Confident | 102 Ų | 102 | 49.9 Ų | 49.9 | 63% | 0.626 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -59 | -37.2 | 180 | 47.2 | 0 | 0 | 0 | 0 | 112.9 | P435 K441 | P435-T437 PolarHBondContact O-N 2.82Å; P435-T437 VanDerWaalsContact O-N 3.14Å; T437-K441 WeakPolarHBondContact O-CB 3.37Å |
| 438 | D | 88.9 | Confident | 80 | Confident | 41 Ų | 41 | 50.1 Ų | 50.1 | 22% | 0.219 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -94.5 | -35.6 | -178.9 | -69.5 | -72.8 | 0 | 0 | 0 | 111.6 | P435 Q436 K441 I442 | P435-D438 PolarHBondContact O-N 3.42Å; Q436-D438 VanDerWaalsContact C-N 3.27Å; Q436-D438 PolarHBondContact O-N 3.39Å; D438-K441 PolarHBondContact O-N 2.83Å; D438-K441 IonicContact OD1-NZ 3.48Å; D438-K441 PolarHBondContact OD1-NZ 2.88Å; D438-I442 VanDerWaalsContact O-CB 3.29Å; D438-I442 WeakPolarHBondContact O-CB 3.37Å; D438-I442 WeakPolarHBondContact O-CD1 3.48Å; D438-I442 WeakPolarHBondContact O-CG1 3.29Å; D438-I442 PolarHBondContact O-N 3.5Å |
| 439 | Y | 87 | Confident | 78.7 | Confident | 21 Ų | 21 | 48.9 Ų | 48.9 | 8% | 0.082 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.8 | -55.8 | 170.4 | -178.9 | -105.2 | 0 | 0 | 0 | 111.3 | L355 W381 L411 P435 K441 I442 M443 | L355-Y439 HydrophobicContact CD2-CD2 4.14Å; W381-Y439 HydrophobicContact CB-CD1 4.1Å; W381-Y439 HydrophobicContact CB-CD2 3.73Å; W381-Y439 HydrophobicContact CB-CE1 4.35Å; W381-Y439 HydrophobicContact CB-CE2 4Å; W381-Y439 HydrophobicContact CB-CG 3.79Å; W381-Y439 AromaticContact CD1-CE2 3.84Å; W381-Y439 AromaticContact CD1-CZ 3.74Å; W381-Y439 AromaticContact CD2-CD2 3.84Å; W381-Y439 HydrophobicContact CD2-CD2 3.84Å; W381-Y439 AromaticContact CD2-CE2 3.53Å; W381-Y439 HydrophobicContact CD2-CE2 3.53Å; W381-Y439 AromaticContact CE2-CE2 3.85Å; W381-Y439 HydrophobicContact CE3-CD2 4.01Å; W381-Y439 HydrophobicContact CE3-CE2 4Å; W381-Y439 AromaticContact CG-CD2 3.74Å; W381-Y439 HydrophobicContact CG-CD2 3.74Å; W381-Y439 HydrophobicContact CG-CE1 4.33Å; W381-Y439 AromaticContact CG-CE2 3.52Å; W381-Y439 HydrophobicContact CG-CE2 3.52Å; W381-Y439 HydrophobicContact CG-CG 4.25Å; W381-Y439 AromaticContact CG-CZ 3.85Å; L411-Y439 HydrophobicContact CD2-CD1 4.44Å; L411-Y439 HydrophobicContact CD2-CE1 3.97Å; L411-Y439 HydrophobicContact CG-CE1 4.32Å; P435-Y439 PolarHBondContact O-N 3.44Å; Y439-K441 VanDerWaalsContact C-N 3.28Å; Y439-K441 PolarHBondContact O-N 3.4Å; Y439-I442 PolarHBondContact O-N 2.96Å; Y439-M443 HydrophobicContact CD1-CG 4.32Å; Y439-M443 HydrophobicContact CD2-CG 3.94Å; Y439-M443 HydrophobicContact CE1-CG 4.05Å; Y439-M443 HydrophobicContact CE2-CG 3.64Å; Y439-M443 HydrophobicContact CE2-SD 3.97Å; Y439-M443 HydrophobicContact CG-CG 4.27Å; Y439-M443 WeakPolarHBondContact O-CB 3.42Å; Y439-M443 WeakPolarHBondContact O-CG 3.33Å; Y439-M443 PolarHBondContact O-N 3.2Å |
| 440 | V | 81.7 | Confident | 77.7 | Confident | 61 Ų | 61 | 52.4 Ų | 52.4 | 37% | 0.37 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.1 | -36.5 | -179.6 | 174.9 | 0 | 0 | 0 | 0 | 111.7 | Q436 S444 | Q436-V440 HydrophobicContact CG-CG2 4.05Å; Q436-V440 WeakPolarHBondContact O-CB 3.3Å; Q436-V440 VanDerWaalsContact O-CG2 3.31Å; Q436-V440 WeakPolarHBondContact O-CG2 3.48Å; Q436-V440 PolarHBondContact O-N 3.05Å; V440-S444 WeakPolarHBondContact O-CB 3.23Å; V440-S444 PolarHBondContact O-N 3.25Å; V440-S444 PolarHBondContact O-OG 3.23Å |
| 441 | K | 81.8 | Confident | 77 | Confident | 102 Ų | 102 | 53.9 Ų | 53.9 | 44% | 0.443 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -74.7 | -26.4 | 179.3 | 167.4 | -176.4 | 151.9 | -152.7 | 0 | 114.3 | T437 D438 Y439 S444 R445 | T437-K441 WeakPolarHBondContact O-CB 3.37Å; D438-K441 PolarHBondContact O-N 2.83Å; D438-K441 IonicContact OD1-NZ 3.48Å; D438-K441 PolarHBondContact OD1-NZ 2.88Å; Y439-K441 VanDerWaalsContact C-N 3.28Å; Y439-K441 PolarHBondContact O-N 3.4Å; K441-S444 PolarHBondContact O-OG 3.31Å; K441-R445 VanDerWaalsContact O-CD 3.27Å; K441-R445 WeakPolarHBondContact O-CD 3.38Å; K441-R445 WeakPolarHBondContact O-CG 3.36Å |
| 442 | I | 84.5 | Confident | 76.3 | Confident | 17 Ų | 17 | 57 Ų | 57 | 9% | 0.087 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -80.4 | -51 | 172.5 | -72 | 163.7 | 0 | 0 | 0 | 108.8 | T351 S354 L355 V358 D438 Y439 S444 R445 E446 | T351-I442 HydrophobicContact CG2-CG2 3.84Å; S354-I442 WeakPolarHBondContact O-CD1 3.32Å; L355-I442 HydrophobicContact CD2-CD1 4.05Å; L355-I442 HydrophobicContact CD2-CG2 4.19Å; L355-I442 HydrophobicContact CG-CG2 4.28Å; V358-I442 HydrophobicContact CG1-CD1 4.4Å; V358-I442 HydrophobicContact CG2-CD1 3.73Å; D438-I442 VanDerWaalsContact O-CB 3.29Å; D438-I442 WeakPolarHBondContact O-CB 3.37Å; D438-I442 WeakPolarHBondContact O-CD1 3.48Å; D438-I442 WeakPolarHBondContact O-CG1 3.29Å; D438-I442 PolarHBondContact O-N 3.5Å; Y439-I442 PolarHBondContact O-N 2.96Å; I442-S444 PolarHBondContact O-N 3.36Å; I442-R445 WeakPolarHBondContact O-CB 3.3Å; I442-R445 PolarHBondContact O-N 2.85Å; I442-R445 VanDerWaalsContact O-N 3.15Å; I442-E446 PolarHBondContact O-N 3.28Å |
| 443 | M | 75.7 | Confident | 75.8 | Confident | 16 Ų | 16 | 59.8 Ų | 59.8 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.1 | -31.2 | -178.9 | -62.9 | -59.2 | -61.8 | 0 | 0 | 113.3 | L347 T351 L411 Y439 R445 E446 G447 | L347-M443 HydrophobicContact CD2-CE 3.71Å; L347-M443 HydrophobicContact CD2-SD 4.19Å; T351-M443 HydrophobicContact CG2-SD 3.75Å; L411-M443 HydrophobicContact CD1-CB 3.81Å; L411-M443 HydrophobicContact CD1-CE 3.94Å; L411-M443 HydrophobicContact CD1-CG 4.33Å; L411-M443 HydrophobicContact CD2-CB 3.62Å; L411-M443 HydrophobicContact CD2-CG 4.15Å; L411-M443 HydrophobicContact CG-CB 4.3Å; Y439-M443 HydrophobicContact CD1-CG 4.32Å; Y439-M443 HydrophobicContact CD2-CG 3.94Å; Y439-M443 HydrophobicContact CE1-CG 4.05Å; Y439-M443 HydrophobicContact CE2-CG 3.64Å; Y439-M443 HydrophobicContact CE2-SD 3.97Å; Y439-M443 HydrophobicContact CG-CG 4.27Å; Y439-M443 WeakPolarHBondContact O-CB 3.42Å; Y439-M443 WeakPolarHBondContact O-CG 3.33Å; Y439-M443 PolarHBondContact O-N 3.2Å; M443-R445 PolarHBondContact O-N 2.73Å; M443-E446 WeakPolarHBondContact CE-OE2 3.46Å; M443-E446 WeakPolarHBondContact O-CB 3.36Å; M443-E446 PolarHBondContact O-N 3.18Å; M443-G447 PolarHBondContact O-N 2.97Å |
| 444 | S | 68.1 | Low | 75.2 | Confident | 53 Ų | 53 | 64 Ų | 64 | 37% | 0.371 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.9 | -33.2 | 174.1 | 69.6 | 0 | 0 | 0 | 0 | 111.8 | V440 K441 I442 E446 G447 E448 | V440-S444 WeakPolarHBondContact O-CB 3.23Å; V440-S444 PolarHBondContact O-N 3.25Å; V440-S444 PolarHBondContact O-OG 3.23Å; K441-S444 PolarHBondContact O-OG 3.31Å; I442-S444 PolarHBondContact O-N 3.36Å; S444-E446 VanDerWaalsContact C-N 3.34Å; S444-G447 PolarHBondContact O-N 3.26Å; S444-E448 WeakPolarHBondContact O-CB 3.46Å; S444-E448 WeakPolarHBondContact O-CG 3.36Å; S444-E448 PolarHBondContact O-N 2.89Å |
| 445 | R | 65.8 | Low | 74.5 | Confident | 163 Ų | 163 | 64.9 Ų | 64.9 | 62% | 0.615 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -71.6 | -28.4 | 176.2 | -65.3 | 168.4 | 173.4 | -162.7 | -5.3 | 112.7 | K441 I442 M443 A449 | K441-R445 VanDerWaalsContact O-CD 3.27Å; K441-R445 WeakPolarHBondContact O-CD 3.38Å; K441-R445 WeakPolarHBondContact O-CG 3.36Å; I442-R445 WeakPolarHBondContact O-CB 3.3Å; I442-R445 PolarHBondContact O-N 2.85Å; I442-R445 VanDerWaalsContact O-N 3.15Å; M443-R445 PolarHBondContact O-N 2.73Å; R445-A449 WeakPolarHBondContact O-CB 3.29Å; R445-A449 PolarHBondContact O-N 3.41Å |
| 446 | E | 62 | Low | 73.4 | Confident | 46 Ų | 46 | 72.7 Ų | 72.7 | 22% | 0.215 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 172.6 | -168.8 | 168.7 | -121.1 | 0 | 0 | 110.3 | T348 T351 I442 M443 S444 A449 | T348-E446 HydrophobicContact CG2-CG 4.22Å; T348-E446 PolarHBondContact N-OE1 3.01Å; T351-E446 VanDerWaalsContact CB-OE1 3.22Å; T351-E446 WeakPolarHBondContact CB-OE1 3.33Å; T351-E446 WeakPolarHBondContact CG2-OE1 3.48Å; T351-E446 PolarHBondContact OG1-OE1 3.04Å; I442-E446 PolarHBondContact O-N 3.28Å; M443-E446 WeakPolarHBondContact CE-OE2 3.46Å; M443-E446 WeakPolarHBondContact O-CB 3.36Å; M443-E446 PolarHBondContact O-N 3.18Å; S444-E446 VanDerWaalsContact C-N 3.34Å; E446-A449 PolarHBondContact O-N 3.37Å |
| 447 | G | 51.3 | Low | 72.4 | Confident | 59 Ų | 59 | 73.5 Ų | 73.5 | 61% | 0.608 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -69 | -37.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | M443 S444 A449 | M443-G447 PolarHBondContact O-N 2.97Å; S444-G447 PolarHBondContact O-N 3.26Å; G447-A449 VanDerWaalsContact C-N 3.29Å; G447-A449 PolarHBondContact O-N 3.22Å |
| 448 | E | 51.1 | Low | 71.8 | Confident | 149 Ų | 149 | 71.1 Ų | 71.1 | 70% | 0.696 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -77.3 | -9 | 177.1 | -72.2 | 178 | 171.3 | 0 | 0 | 113.9 | S444 | S444-E448 WeakPolarHBondContact O-CB 3.46Å; S444-E448 WeakPolarHBondContact O-CG 3.36Å; S444-E448 PolarHBondContact O-N 2.89Å |
| 449 | A | 55.6 | Low | 71.2 | Confident | 20 Ų | 20 | 78.9 Ų | 78.9 | 17% | 0.165 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -73.5 | -31.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R445 E446 G447 E465 S466 | R445-A449 WeakPolarHBondContact O-CB 3.29Å; R445-A449 PolarHBondContact O-N 3.41Å; E446-A449 PolarHBondContact O-N 3.37Å; G447-A449 VanDerWaalsContact C-N 3.29Å; G447-A449 PolarHBondContact O-N 3.22Å; A449-E465 HydrophobicContact CB-CG 4.21Å; A449-E465 WeakPolarHBondContact O-CA 3.21Å; A449-S466 PolarHBondContact O-N 3.08Å; A449-S466 VanDerWaalsContact O-N 3.12Å; A449-S466 PolarHBondContact O-OG 3.19Å |
| 450 | E | 64.8 | Low | 71 | Confident | 75 Ų | 75 | 80.5 Ų | 80.5 | 35% | 0.35 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 118.4 | 177.1 | -76.5 | -151.7 | 136.1 | 0 | 0 | 112.3 | P452 V463 Y464 T496 K497 | E450-P452 WeakPolarHBondContact O-CD 3.41Å; E450-V463 HydrophobicContact CB-CG1 3.81Å; E450-V463 HydrophobicContact CG-CG1 3.99Å; E450-Y464 CarbonylContact C-O 3.56Å; E450-Y464 WeakPolarHBondContact CA-O 3.26Å; E450-T496 PolarHBondContact OE1-OG1 3.13Å; E450-T496 VanDerWaalsContact OE1-OG1 3.06Å; E450-K497 IonicContact OE1-NZ 3.23Å; E450-K497 PolarHBondContact OE1-NZ 2.61Å; E450-K497 IonicContact OE2-NZ 2.68Å; E450-K497 PolarHBondContact OE2-NZ 3.13Å |
| 451 | I | 73.6 | Confident | 71.2 | Confident | 60 Ų | 60 | 78.6 Ų | 78.6 | 31% | 0.308 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 104.5 | 176.8 | -55.1 | 174.9 | 0 | 0 | 0 | 108.1 | Y464 | I451-Y464 PolarHBondContact N-O 3.11Å; I451-Y464 PolarHBondContact O-N 3.42Å |
| 452 | P | 75.7 | Confident | 71.4 | Confident | 69 Ų | 69 | 73.9 Ų | 73.9 | 45% | 0.448 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 134.9 | 177.8 | 30.2 | -33.9 | 0 | 0 | 0 | 112.6 | E450 V460 V463 | E450-P452 WeakPolarHBondContact O-CD 3.41Å; P452-V460 HydrophobicContact CB-CG1 3.9Å; P452-V460 HydrophobicContact CB-CG2 4.13Å; P452-V463 HydrophobicContact CB-CG2 4.24Å |
| 453 | E | 80.3 | Confident | 71.4 | Confident | 61 Ų | 61 | 73.2 Ų | 73.2 | 29% | 0.285 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 121.9 | 168 | -164.6 | 179.8 | 127.9 | 0 | 0 | 109 | V461 L462 Y464 K502 | E453-V461 WeakPolarHBondContact O-CG2 3.36Å; E453-V461 PolarHBondContact O-N 2.87Å; E453-L462 HydrophobicContact CB-CB 4.06Å; E453-L462 WeakPolarHBondContact CB-O 3.36Å; E453-L462 PolarHBondContact N-O 3.37Å; E453-Y464 HydrophobicContact CB-CE2 4.25Å; E453-Y464 WeakPolarHBondContact OE2-CE2 3.46Å; E453-Y464 PolarHBondContact OE2-OH 3.22Å; E453-K502 IonicContact OE1-NZ 2.74Å; E453-K502 PolarHBondContact OE1-NZ 2.85Å |
| 454 | M | 80.1 | Confident | 71.7 | Confident | 114 Ų | 114 | 73.5 Ų | 73.5 | 56% | 0.562 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 131.1 | 179 | -69.9 | -66.8 | -166.9 | 0 | 0 | 111 | R459 V460 | M454-R459 WeakPolarHBondContact CA-O 3.24Å; M454-V460 HydrophobicContact CE-CG2 3.9Å; M454-V460 HydrophobicContact SD-CG2 3.81Å |
| 455 | G | 75.8 | Confident | 72.2 | Confident | 19 Ų | 19 | 73.2 Ų | 73.2 | 20% | 0.196 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -83.5 | 173.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G457 G458 R459 | G455-G457 PolarHBondContact O-N 3Å; G455-G458 PolarHBondContact O-N 2.96Å; G455-R459 PolarHBondContact N-O 3.41Å |
| 456 | E | 66.3 | Low | 72.2 | Confident | 216 Ų | 216 | 66 Ų | 66 | 100% | 1.009 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 110.4 | 173.3 | -63.3 | -176 | 171.5 | 0 | 0 | 109.9 | ||
| 457 | G | 64.3 | Low | 72.3 | Confident | 79 Ų | 79 | 66.8 Ų | 66.8 | 81% | 0.814 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 106.5 | 5.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | G455 R459 | G455-G457 PolarHBondContact O-N 3Å; G457-R459 PolarHBondContact O-N 3.01Å |
| 458 | G | 73.5 | Confident | 72.4 | Confident | 53 Ų | 53 | 68.1 Ų | 68.1 | 55% | 0.546 | 37% | 0.372 | S | S | . | . | S | Bend | trans | 75.7 | 18.8 | 168 | 0 | 0 | 0 | 0 | 0 | 115.5 | G455 | G455-G458 PolarHBondContact O-N 2.96Š|
| 459 | R | 77.1 | Confident | 72.4 | Confident | 203 Ų | 203 | 65.9 Ų | 65.9 | 77% | 0.766 | 36% | 0.364 | S | S | * | . | trans | -85.6 | 142.9 | 167.7 | -62.8 | -175.4 | -178.9 | -167 | 0.3 | 109.6 | M454 G455 G457 V461 | M454-R459 WeakPolarHBondContact CA-O 3.24Å; G455-R459 PolarHBondContact N-O 3.41Å; G457-R459 PolarHBondContact O-N 3.01Å; R459-V461 PolarHBondContact O-N 3.05Å | ||
| 460 | V | 82.1 | Confident | 71.5 | Confident | 55 Ų | 55 | 70.5 Ų | 70.5 | 33% | 0.333 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 129.3 | 167.3 | -178.3 | 0 | 0 | 0 | 0 | 108.1 | P452 M454 V463 L1258 | P452-V460 HydrophobicContact CB-CG1 3.9Å; P452-V460 HydrophobicContact CB-CG2 4.13Å; M454-V460 HydrophobicContact CE-CG2 3.9Å; M454-V460 HydrophobicContact SD-CG2 3.81Å; V460-V463 HydrophobicContact CG1-CG2 3.45Å; V460-V463 VanDerWaalsContact CG1-CG2 3.45Å; V460-L1258 HydrophobicContact CG1-CD1 4.13Å |
| 461 | V | 85.5 | Confident | 69.9 | Low | 22 Ų | 22 | 73 Ų | 73 | 13% | 0.133 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | -17.8 | -177 | -67.8 | 0 | 0 | 0 | 0 | 113.9 | E453 R459 G498 T499 K502 | E453-V461 WeakPolarHBondContact O-CG2 3.36Å; E453-V461 PolarHBondContact O-N 2.87Å; R459-V461 PolarHBondContact O-N 3.05Å; V461-G498 CarbonylContact O-C 3.54Å; V461-G498 VanDerWaalsContact O-CA 3.23Å; V461-G498 WeakPolarHBondContact O-CA 3.37Å; V461-T499 HydrophobicContact CB-CG2 4.16Å; V461-T499 HydrophobicContact CG1-CG2 4.2Å; V461-T499 PolarHBondContact O-N 3.26Å; V461-K502 HydrophobicContact CB-CG 3.74Å; V461-K502 HydrophobicContact CG2-CD 4.25Å; V461-K502 HydrophobicContact CG2-CG 3.7Å; V461-K502 WeakPolarHBondContact O-CB 3.32Å |
| 462 | L | 86.6 | Confident | 67.8 | Low | 2 Ų | 2 | 76.4 Ų | 76.4 | 1% | 0.01 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 148.5 | 172.7 | -168.5 | 57.7 | 0 | 0 | 0 | 108.3 | E453 Y464 V495 K497 K502 L503 H506 | E453-L462 HydrophobicContact CB-CB 4.06Å; E453-L462 WeakPolarHBondContact CB-O 3.36Å; E453-L462 PolarHBondContact N-O 3.37Å; L462-Y464 HydrophobicContact CD2-CE1 4.06Å; L462-Y464 HydrophobicContact CD2-CE2 4.4Å; L462-Y464 WeakPolarHBondContact CD2-OH 3.34Å; L462-Y464 HydrophobicContact CG-CE1 4.34Å; L462-Y464 HydrophobicContact CG-CE2 4.42Å; L462-V495 HydrophobicContact CD1-CG1 3.65Å; L462-V495 HydrophobicContact CD1-CG2 4.41Å; L462-K497 CarbonylContact C-O 3.53Å; L462-K497 WeakPolarHBondContact CA-O 3.39Å; L462-K502 HydrophobicContact CB-CB 4.09Å; L462-K502 HydrophobicContact CB-CG 4.45Å; L462-K502 HydrophobicContact CD1-CB 4.5Å; L462-K502 HydrophobicContact CD2-CB 4.3Å; L462-L503 HydrophobicContact CD1-CD2 3.81Å; L462-H506 HydrophobicContact CD2-CB 4.18Å |
| 463 | V | 84.6 | Confident | 65.6 | Low | 3 Ų | 3 | 77.7 Ų | 77.7 | 2% | 0.018 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 137.8 | 178.5 | -173.6 | 0 | 0 | 0 | 0 | 109.7 | E450 P452 V460 T496 K497 | E450-V463 HydrophobicContact CB-CG1 3.81Å; E450-V463 HydrophobicContact CG-CG1 3.99Å; P452-V463 HydrophobicContact CB-CG2 4.24Å; V460-V463 HydrophobicContact CG1-CG2 3.45Å; V460-V463 VanDerWaalsContact CG1-CG2 3.45Å; V463-T496 PolarHBondContact O-N 3.25Å; V463-T496 PolarHBondContact O-OG1 2.86Å; V463-K497 HydrophobicContact CB-CG 3.76Å; V463-K497 HydrophobicContact CG2-CD 4.36Å; V463-K497 HydrophobicContact CG2-CG 3.8Å; V463-K497 PolarHBondContact N-O 2.84Å |
| 464 | Y | 82.3 | Confident | 63 | Low | 23 Ų | 23 | 82.8 Ų | 82.8 | 9% | 0.09 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 131.3 | -179.8 | -52.7 | -83 | 0 | 0 | 0 | 111.3 | E450 I451 E453 L462 R493 L494 V495 H506 | E450-Y464 CarbonylContact C-O 3.56Å; E450-Y464 WeakPolarHBondContact CA-O 3.26Å; I451-Y464 PolarHBondContact N-O 3.11Å; I451-Y464 PolarHBondContact O-N 3.42Å; E453-Y464 HydrophobicContact CB-CE2 4.25Å; E453-Y464 WeakPolarHBondContact OE2-CE2 3.46Å; E453-Y464 PolarHBondContact OE2-OH 3.22Å; L462-Y464 HydrophobicContact CD2-CE1 4.06Å; L462-Y464 HydrophobicContact CD2-CE2 4.4Å; L462-Y464 WeakPolarHBondContact CD2-OH 3.34Å; L462-Y464 HydrophobicContact CG-CE1 4.34Å; L462-Y464 HydrophobicContact CG-CE2 4.42Å; Y464-R493 HydrophobicContact CD1-CB 4.24Å; Y464-R493 HydrophobicContact CG-CB 4.45Å; Y464-L494 CarbonylContact C-O 3.57Å; Y464-L494 VanDerWaalsContact CA-O 3.28Å; Y464-L494 WeakPolarHBondContact CA-O 3.35Å; Y464-V495 HydrophobicContact CD1-CG2 3.97Å; Y464-V495 HydrophobicContact CE1-CG2 3.84Å; Y464-H506 AromaticContact CE1-CE1 3.43Å; Y464-H506 VanDerWaalsContact CE1-CE1 3.43Å; Y464-H506 WeakPolarHBondContact CE1-CE1 3.34Å; Y464-H506 AromaticContact CE1-ND1 3.69Å; Y464-H506 AromaticContact CZ-ND1 3.98Å; Y464-H506 PolarHBondContact OH-ND1 2.87Å |
| 465 | E | 77.9 | Confident | 60.6 | Low | 46 Ų | 46 | 82.4 Ų | 82.4 | 22% | 0.215 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 139.4 | 160.3 | -170.5 | -175.7 | 172 | 0 | 0 | 109.5 | A449 I467 R493 L494 T496 | A449-E465 HydrophobicContact CB-CG 4.21Å; A449-E465 WeakPolarHBondContact O-CA 3.21Å; E465-I467 HydrophobicContact CG-CD1 4.38Å; E465-I467 HydrophobicContact CG-CG1 3.87Å; E465-R493 WeakPolarHBondContact O-CA 3.47Å; E465-L494 PolarHBondContact N-O 3.4Å; E465-L494 PolarHBondContact O-N 3.33Å; E465-T496 HydrophobicContact CB-CG2 3.61Å |
| 466 | S | 66.1 | Low | 58.3 | Low | 13 Ų | 13 | 87.5 Ų | 87.5 | 9% | 0.091 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 83.2 | -178.4 | 59.2 | 0 | 0 | 0 | 0 | 112.9 | A449 K491 C492 | A449-S466 PolarHBondContact O-N 3.08Å; A449-S466 VanDerWaalsContact O-N 3.12Å; A449-S466 PolarHBondContact O-OG 3.19Å; S466-K491 WeakPolarHBondContact O-CE 3.28Å; S466-K491 PolarHBondContact O-NZ 3.02Å; S466-K491 PolarHBondContact OG-NZ 2.98Å; S466-C492 CarbonylContact C-O 3.34Å; S466-C492 WeakPolarHBondContact CA-O 3.43Å |
| 467 | I | 64.1 | Low | 56.7 | Low | 62 Ų | 62 | 81.4 Ų | 81.4 | 32% | 0.318 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 136.7 | -176.2 | -56.5 | -165 | 0 | 0 | 0 | 111.6 | E465 C492 L494 | E465-I467 HydrophobicContact CG-CD1 4.38Å; E465-I467 HydrophobicContact CG-CG1 3.87Å; I467-C492 PolarHBondContact N-O 3.25Å; I467-C492 PolarHBondContact O-N 3.37Å; I467-L494 HydrophobicContact CB-CD1 4.13Å; I467-L494 HydrophobicContact CD1-CD1 3.53Å; I467-L494 HydrophobicContact CG1-CD1 3.88Å |
| 468 | N | 52.9 | Low | 54.9 | Low | 86 Ų | 86 | 82.7 Ų | 82.7 | 46% | 0.46 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 128.7 | 166.5 | -60.6 | -27.7 | 0 | 0 | 0 | 108.9 | D470 K491 | N468-D470 VanDerWaalsContact C-N 3.32Å; N468-D470 PolarHBondContact O-N 3.08Å; N468-K491 WeakPolarHBondContact OD1-CE 3.23Å |
| 469 | L | 50.4 | Low | 52.9 | Low | 102 Ų | 102 | 89.3 Ų | 89.3 | 53% | 0.534 | 47% | 0.468 | S | S | . | . | trans | -76 | 86.2 | 172 | -92.1 | 72.1 | 0 | 0 | 0 | 110.6 | T471 C492 | L469-T471 PolarHBondContact O-N 3.14Å; L469-C492 HydrophobicContact CD1-CB 3.37Å | ||
| 470 | D | 36.8 | Very low | 50.6 | Low | 118 Ų | 118 | 84.8 Ų | 84.8 | 63% | 0.631 | 47% | 0.467 | S | S | * | . | trans | -64.8 | 125.5 | 160.3 | -65.3 | -30.8 | 0 | 0 | 0 | 108.3 | N468 T472 | N468-D470 VanDerWaalsContact C-N 3.32Å; N468-D470 PolarHBondContact O-N 3.08Å; D470-T472 VanDerWaalsContact C-N 3.33Å; D470-T472 PolarHBondContact O-N 3.29Å; D470-T472 PolarHBondContact O-OG1 2.82Å | ||
| 471 | T | 31.7 | Very low | 48.2 | Very low | 126 Ų | 126 | 87.8 Ų | 87.8 | 77% | 0.773 | 49% | 0.488 | S | S | * | . | trans | -75.9 | 80.7 | -161.3 | -56.9 | 0 | 0 | 0 | 0 | 112.3 | L469 L473 | L469-T471 PolarHBondContact O-N 3.14Å; T471-L473 VanDerWaalsContact C-N 3.27Å; T471-L473 PolarHBondContact O-N 3.05Å | ||
| 472 | T | 30.4 | Very low | 45.4 | Very low | 133 Ų | 133 | 93.6 Ų | 93.6 | 82% | 0.816 | 52% | 0.518 | S | S | * | . | trans | -94.6 | 36.3 | 172.5 | 43.8 | 0 | 0 | 0 | 0 | 112.3 | D470 | D470-T472 VanDerWaalsContact C-N 3.33Å; D470-T472 PolarHBondContact O-N 3.29Å; D470-T472 PolarHBondContact O-OG1 2.82Å | ||
| 473 | L | 29.9 | Very low | 42.9 | Very low | 95 Ų | 95 | 101.1 Ų | 101.1 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -106.5 | 101.5 | 160.1 | -71.4 | 178.5 | 0 | 0 | 0 | 108.1 | T471 I475 | T471-L473 VanDerWaalsContact C-N 3.27Å; T471-L473 PolarHBondContact O-N 3.05Å; L473-I475 PolarHBondContact O-N 3.2Å; L473-I475 VanDerWaalsContact O-N 3.11Å |
| 474 | N | 25.4 | Very low | 40.2 | Very low | 168 Ų | 168 | 108.8 Ų | 108.8 | 90% | 0.898 | 60% | 0.599 | S | S | * | * | trans | -57.8 | 115.4 | 171.4 | -86.7 | -20.8 | 0 | 0 | 0 | 109.9 | ||||
| 475 | I | 29.6 | Very low | 37.7 | Very low | 106 Ų | 106 | 115 Ų | 115 | 54% | 0.544 | 63% | 0.634 | S | S | . | * | trans | -131.1 | 123.2 | 166.1 | -61.9 | -177 | 0 | 0 | 0 | 107.6 | L473 S477 | L473-I475 PolarHBondContact O-N 3.2Å; L473-I475 VanDerWaalsContact O-N 3.11Å; I475-S477 PolarHBondContact O-N 3.17Å; I475-S477 PolarHBondContact O-OG 3.39Å; I475-S477 VanDerWaalsContact O-OG 3.09Å | ||
| 476 | D | 26.7 | Very low | 35.6 | Very low | 126 Ų | 126 | 117.9 Ų | 117.9 | 67% | 0.674 | 66% | 0.659 | S | S | * | * | trans | -59.4 | 119.6 | -167.6 | -57.1 | -43.7 | 0 | 0 | 0 | 112.9 | F232 | F232-D476 HydrophobicContact CD2-CB 4.33Å; F232-D476 HydrophobicContact CE2-CB 3.58Å; F232-D476 VanDerWaalsContact CE2-OD1 3.28Å; F232-D476 WeakPolarHBondContact CE2-OD1 3.36Å; F232-D476 HydrophobicContact CZ-CB 3.76Å | ||
| 477 | S | 32.2 | Very low | 34.1 | Very low | 88 Ų | 88 | 123.7 Ų | 123.7 | 62% | 0.615 | 69% | 0.694 | S | S | * | * | trans | -110.3 | 58.1 | -169.8 | -67.7 | 0 | 0 | 0 | 0 | 113 | I475 K479 | I475-S477 PolarHBondContact O-N 3.17Å; I475-S477 PolarHBondContact O-OG 3.39Å; I475-S477 VanDerWaalsContact O-OG 3.09Å; S477-K479 PolarHBondContact O-N 2.77Å | ||
| 478 | N | 27.4 | Very low | 32.8 | Very low | 106 Ų | 106 | 127.6 Ų | 127.6 | 57% | 0.567 | 72% | 0.715 | S | S | * | * | trans | -94 | 71.5 | 165.1 | -122 | 5.8 | 0 | 0 | 0 | 110 | F232 | F232-N478 HydrophobicContact CD1-CB 3.78Å; F232-N478 HydrophobicContact CE1-CB 3.62Å | ||
| 479 | K | 31.5 | Very low | 32.2 | Very low | 193 Ų | 193 | 129.6 Ų | 129.6 | 84% | 0.839 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -153.5 | 145.1 | 170.7 | -110.1 | 163.6 | -173.4 | 175.7 | 0 | 111.1 | S477 | S477-K479 PolarHBondContact O-N 2.77Š|
| 480 | S | 28.8 | Very low | 32.1 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | trans | -65 | 139.4 | -165.5 | -167 | 0 | 0 | 0 | 0 | 113.9 | N482 | S480-N482 PolarHBondContact O-N 2.94Å; S480-N482 VanDerWaalsContact O-N 3.15Å | ||
| 481 | P | 31.6 | Very low | 32.9 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 77% | 0.766 | 71% | 0.71 | S | S | * | * | trans | -78.6 | 93.7 | 172.4 | 32.4 | -33.3 | 0 | 0 | 0 | 110.8 | ||||
| 482 | N | 27.6 | Very low | 34.4 | Very low | 144 Ų | 144 | 123.2 Ų | 123.2 | 77% | 0.77 | 68% | 0.678 | S | S | * | * | trans | -159.2 | 82.2 | 160.9 | -129.8 | 0.1 | 0 | 0 | 0 | 111.7 | S480 | S480-N482 PolarHBondContact O-N 2.94Å; S480-N482 VanDerWaalsContact O-N 3.15Å | ||
| 483 | D | 32.5 | Very low | 36.5 | Very low | 160 Ų | 160 | 123 Ų | 123 | 86% | 0.856 | 66% | 0.663 | S | S | * | * | trans | -166.1 | 119.9 | 151.1 | -107.8 | -27 | 0 | 0 | 0 | 109.7 | N485 | D483-N485 PolarHBondContact O-N 2.79Š| ||
| 484 | N | 28.1 | Very low | 39 | Very low | 165 Ų | 165 | 120 Ų | 120 | 88% | 0.882 | 65% | 0.647 | S | S | * | * | trans | -83.3 | 97.8 | -177.1 | -78.8 | -47.3 | 0 | 0 | 0 | 111 | ||||
| 485 | N | 30.8 | Very low | 41.9 | Very low | 154 Ų | 154 | 112.1 Ų | 112.1 | 82% | 0.824 | 60% | 0.604 | S | S | * | * | trans | -138.1 | 137.6 | 165.3 | -104 | -54.4 | 0 | 0 | 0 | 112.1 | D483 V487 | D483-N485 PolarHBondContact O-N 2.79Å; N485-V487 PolarHBondContact O-N 3.1Å | ||
| 486 | S | 32.4 | Very low | 44.6 | Very low | 106 Ų | 106 | 107.5 Ų | 107.5 | 74% | 0.741 | 58% | 0.581 | S | S | * | * | trans | -65.6 | 116.4 | -170.5 | -177.7 | 0 | 0 | 0 | 0 | 112.6 | L488 | S486-L488 PolarHBondContact O-N 3.1Š| ||
| 487 | V | 36.4 | Very low | 47.5 | Very low | 135 Ų | 135 | 103.3 Ų | 103.3 | 82% | 0.818 | 56% | 0.557 | S | S | * | * | trans | -74.6 | 90.7 | 165.8 | -179 | 0 | 0 | 0 | 0 | 108.2 | N485 L489 | N485-V487 PolarHBondContact O-N 3.1Å; V487-L489 PolarHBondContact O-N 3.38Å; V487-L489 VanDerWaalsContact O-N 3.09Å | ||
| 488 | L | 35.8 | Very low | 50.3 | Low | 144 Ų | 144 | 99.1 Ų | 99.1 | 75% | 0.754 | 53% | 0.528 | S | S | * | . | trans | -70.9 | 104.1 | 179.3 | -165.8 | 82.3 | 0 | 0 | 0 | 110.4 | S486 K490 | S486-L488 PolarHBondContact O-N 3.1Å; L488-K490 PolarHBondContact O-N 3.02Å | ||
| 489 | L | 39.9 | Very low | 53.4 | Low | 127 Ų | 127 | 95.5 Ų | 95.5 | 67% | 0.665 | 51% | 0.51 | S | S | * | . | trans | -50.3 | 110.6 | 172.2 | -80.9 | 156 | 0 | 0 | 0 | 111.1 | V487 | V487-L489 PolarHBondContact O-N 3.38Å; V487-L489 VanDerWaalsContact O-N 3.09Å | ||
| 490 | K | 47.9 | Very low | 56.2 | Low | 85 Ų | 85 | 87.8 Ų | 87.8 | 37% | 0.37 | 48% | 0.479 | S | S | . | . | trans | -85.1 | 112 | 173.6 | -79.7 | -172.8 | 173.8 | -178.3 | 0 | 110.4 | L488 C492 N1326 | L488-K490 PolarHBondContact O-N 3.02Å; K490-C492 PolarHBondContact O-N 2.8Å; K490-N1326 WeakPolarHBondContact CE-OD1 3.42Å; K490-N1326 PolarHBondContact NZ-OD1 3.38Å | ||
| 491 | K | 54 | Low | 59.1 | Low | 111 Ų | 111 | 87.1 Ų | 87.1 | 48% | 0.483 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 118.2 | 166.3 | -158.6 | 174.6 | -142 | -138.8 | 0 | 109.1 | S466 N468 | S466-K491 WeakPolarHBondContact O-CE 3.28Å; S466-K491 PolarHBondContact O-NZ 3.02Å; S466-K491 PolarHBondContact OG-NZ 2.98Å; N468-K491 WeakPolarHBondContact OD1-CE 3.23Å |
| 492 | C | 64.3 | Low | 61.9 | Low | 17 Ų | 17 | 83.6 Ų | 83.6 | 12% | 0.115 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 148.1 | 177.4 | -174.9 | 0 | 0 | 0 | 0 | 110.2 | S466 I467 L469 K490 N513 G514 | S466-C492 CarbonylContact C-O 3.34Å; S466-C492 WeakPolarHBondContact CA-O 3.43Å; I467-C492 PolarHBondContact N-O 3.25Å; I467-C492 PolarHBondContact O-N 3.37Å; L469-C492 HydrophobicContact CD1-CB 3.37Å; K490-C492 PolarHBondContact O-N 2.8Å; C492-N513 WeakPolarHBondContact CA-O 3.38Å; C492-G514 VanDerWaalsContact SG-C 3.52Å |
| 493 | R | 74.6 | Confident | 65 | Low | 129 Ų | 129 | 76.8 Ų | 76.8 | 49% | 0.487 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 121.8 | 169.7 | -68.8 | -175.8 | -178.5 | -179.8 | -1 | 110.3 | Y464 E465 N513 D515 | Y464-R493 HydrophobicContact CD1-CB 4.24Å; Y464-R493 HydrophobicContact CG-CB 4.45Å; E465-R493 WeakPolarHBondContact O-CA 3.47Å; R493-N513 PolarHBondContact N-O 3.46Å; R493-D515 PolarHBondContact O-N 3.04Å |
| 494 | L | 81.6 | Confident | 67.8 | Low | 32 Ų | 32 | 69.3 Ų | 69.3 | 17% | 0.168 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 126.6 | 177.3 | -86.1 | 147.4 | 0 | 0 | 0 | 109.1 | Y464 E465 I467 T496 D515 | Y464-L494 CarbonylContact C-O 3.57Å; Y464-L494 VanDerWaalsContact CA-O 3.28Å; Y464-L494 WeakPolarHBondContact CA-O 3.35Å; E465-L494 PolarHBondContact N-O 3.4Å; E465-L494 PolarHBondContact O-N 3.33Å; I467-L494 HydrophobicContact CB-CD1 4.13Å; I467-L494 HydrophobicContact CD1-CD1 3.53Å; I467-L494 HydrophobicContact CG1-CD1 3.88Å; L494-T496 PolarHBondContact O-N 3.11Å; L494-D515 HydrophobicContact CD2-CB 3.61Å; L494-D515 HydrophobicContact CG-CB 4.23Å |
| 495 | V | 86.8 | Confident | 70.7 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.006 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 125 | 173.9 | 175.3 | 0 | 0 | 0 | 0 | 109.8 | L462 Y464 L503 Y518 F1261 R1265 | L462-V495 HydrophobicContact CD1-CG1 3.65Å; L462-V495 HydrophobicContact CD1-CG2 4.41Å; Y464-V495 HydrophobicContact CD1-CG2 3.97Å; Y464-V495 HydrophobicContact CE1-CG2 3.84Å; V495-L503 HydrophobicContact CG1-CD2 3.63Å; V495-Y518 HydrophobicContact CB-CD2 4.29Å; V495-Y518 HydrophobicContact CB-CE2 4.03Å; V495-Y518 HydrophobicContact CG1-CE2 4.26Å; V495-Y518 HydrophobicContact CG2-CD2 4.28Å; V495-Y518 HydrophobicContact CG2-CE2 4.01Å; V495-F1261 HydrophobicContact CG1-CB 4.1Å; V495-F1261 HydrophobicContact CG1-CG 4.26Å; V495-R1265 PolarHBondContact O-NH1 3.37Å |
| 496 | T | 85.6 | Confident | 73.4 | Confident | 9 Ų | 9 | 58.2 Ų | 58.2 | 6% | 0.055 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -47.8 | 175.2 | 57.3 | 0 | 0 | 0 | 0 | 112.2 | E450 V463 E465 L494 F1261 V1262 | E450-T496 PolarHBondContact OE1-OG1 3.13Å; E450-T496 VanDerWaalsContact OE1-OG1 3.06Å; V463-T496 PolarHBondContact O-N 3.25Å; V463-T496 PolarHBondContact O-OG1 2.86Å; E465-T496 HydrophobicContact CB-CG2 3.61Å; L494-T496 PolarHBondContact O-N 3.11Å; T496-F1261 WeakPolarHBondContact O-CA 3.43Å; T496-F1261 WeakPolarHBondContact O-CB 3.33Å; T496-F1261 PolarHBondContact O-N 2.9Å; T496-V1262 HydrophobicContact CG2-CG2 4.01Å; T496-V1262 PolarHBondContact O-N 3.07Å; T496-V1262 VanDerWaalsContact O-N 3.16Å |
| 497 | K | 88.6 | Confident | 76 | Confident | 39 Ų | 39 | 53.2 Ų | 53.2 | 17% | 0.17 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 150.3 | -177.3 | 56.9 | -170.6 | 175.7 | -123.4 | 0 | 112 | E450 L462 V463 T1254 L1258 V1259 | E450-K497 IonicContact OE1-NZ 3.23Å; E450-K497 PolarHBondContact OE1-NZ 2.61Å; E450-K497 IonicContact OE2-NZ 2.68Å; E450-K497 PolarHBondContact OE2-NZ 3.13Å; L462-K497 CarbonylContact C-O 3.53Å; L462-K497 WeakPolarHBondContact CA-O 3.39Å; V463-K497 HydrophobicContact CB-CG 3.76Å; V463-K497 HydrophobicContact CG2-CD 4.36Å; V463-K497 HydrophobicContact CG2-CG 3.8Å; V463-K497 PolarHBondContact N-O 2.84Å; K497-T1254 HydrophobicContact CB-CG2 4.04Å; K497-T1254 HydrophobicContact CD-CG2 3.73Å; K497-L1258 HydrophobicContact CB-CB 4.16Å; K497-L1258 HydrophobicContact CB-CD1 4.49Å; K497-L1258 HydrophobicContact CD-CD1 4.3Å; K497-L1258 HydrophobicContact CG-CD1 4.1Å; K497-V1259 VanDerWaalsContact CA-O 3.22Å; K497-V1259 WeakPolarHBondContact CA-O 3.38Å |
| 498 | G | 90.8 | Very high | 78.2 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.3 | 173.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | V461 V1259 | V461-G498 CarbonylContact O-C 3.54Å; V461-G498 VanDerWaalsContact O-CA 3.23Å; V461-G498 WeakPolarHBondContact O-CA 3.37Å; G498-V1259 PolarHBondContact N-O 3.18Å; G498-V1259 WeakPolarHBondContact O-CB 3.31Å; G498-V1259 PolarHBondContact O-N 2.7Å |
| 499 | T | 92 | Very high | 80.1 | Confident | 30 Ų | 30 | 42.3 Ų | 42.3 | 18% | 0.184 | 21% | 0.206 | C | C | . | . | trans | -77.6 | 153.5 | 171.7 | 79.3 | 0 | 0 | 0 | 0 | 110.5 | V461 E501 K502 L503 L1258 | V461-T499 HydrophobicContact CB-CG2 4.16Å; V461-T499 HydrophobicContact CG1-CG2 4.2Å; V461-T499 PolarHBondContact O-N 3.26Å; T499-E501 WeakPolarHBondContact CB-OE2 3.49Å; T499-E501 PolarHBondContact O-N 3.5Å; T499-E501 PolarHBondContact OG1-OE2 3.32Å; T499-K502 PolarHBondContact O-N 3.41Å; T499-K502 VanDerWaalsContact O-N 3.12Å; T499-K502 PolarHBondContact OG1-N 3.16Å; T499-L503 WeakPolarHBondContact O-CG 3.26Å; T499-L503 PolarHBondContact O-N 2.85Å; T499-L1258 HydrophobicContact CG2-CD2 3.63Å | ||
| 500 | P | 90.1 | Very high | 81.2 | Confident | 31 Ų | 31 | 42.7 Ų | 42.7 | 20% | 0.201 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -54.6 | -38.2 | 179.7 | -26.1 | 35.4 | 0 | 0 | 0 | 113.3 | L503 I504 F529 L530 V1259 | P500-L503 PolarHBondContact O-N 3.19Å; P500-I504 WeakPolarHBondContact O-CD1 3.39Å; P500-I504 VanDerWaalsContact O-CG1 3.26Å; P500-I504 WeakPolarHBondContact O-CG1 3.41Å; P500-I504 PolarHBondContact O-N 3.09Å; P500-F529 HydrophobicContact CB-CD2 4.08Å; P500-F529 HydrophobicContact CB-CE2 4.23Å; P500-F529 HydrophobicContact CG-CD2 4.16Å; P500-L530 HydrophobicContact CB-CD2 3.95Å; P500-V1259 HydrophobicContact CG-CG2 4.13Å |
| 501 | E | 90 | Very high | 81.9 | Confident | 92 Ų | 92 | 40.2 Ų | 40.2 | 43% | 0.43 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.3 | -46.1 | 178.5 | -56.4 | 72.1 | -154.9 | 0 | 0 | 111.5 | T499 I504 E505 R539 | T499-E501 WeakPolarHBondContact CB-OE2 3.49Å; T499-E501 PolarHBondContact O-N 3.5Å; T499-E501 PolarHBondContact OG1-OE2 3.32Å; E501-I504 PolarHBondContact O-N 2.85Å; E501-E505 PolarHBondContact O-N 3.3Å; E501-R539 PolarHBondContact O-NH1 3.38Å |
| 502 | K | 90.6 | Very high | 82.1 | Confident | 45 Ų | 45 | 36.8 Ų | 36.8 | 20% | 0.196 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.9 | -33 | 178.9 | -80.2 | -57.2 | -171.8 | -179.6 | 0 | 113.2 | E453 V461 L462 T499 I504 E505 H506 | E453-K502 IonicContact OE1-NZ 2.74Å; E453-K502 PolarHBondContact OE1-NZ 2.85Å; V461-K502 HydrophobicContact CB-CG 3.74Å; V461-K502 HydrophobicContact CG2-CD 4.25Å; V461-K502 HydrophobicContact CG2-CG 3.7Å; V461-K502 WeakPolarHBondContact O-CB 3.32Å; L462-K502 HydrophobicContact CB-CB 4.09Å; L462-K502 HydrophobicContact CB-CG 4.45Å; L462-K502 HydrophobicContact CD1-CB 4.5Å; L462-K502 HydrophobicContact CD2-CB 4.3Å; T499-K502 PolarHBondContact O-N 3.41Å; T499-K502 VanDerWaalsContact O-N 3.12Å; T499-K502 PolarHBondContact OG1-N 3.16Å; K502-I504 VanDerWaalsContact C-N 3.33Å; K502-E505 VanDerWaalsContact CD-OE2 3.32Å; K502-E505 WeakPolarHBondContact CD-OE2 3.46Å; K502-E505 WeakPolarHBondContact CE-OE2 3.47Å; K502-E505 IonicContact NZ-OE2 2.68Å; K502-E505 PolarHBondContact NZ-OE2 2.88Å; K502-E505 PolarHBondContact O-N 3.45Å; K502-H506 WeakPolarHBondContact O-CB 3.48Å; K502-H506 PolarHBondContact O-N 3.26Å |
| 503 | L | 92.2 | Very high | 81.6 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.6 | -38.3 | 172 | -65.9 | 172.1 | 0 | 0 | 0 | 111.5 | L462 V495 T499 P500 H506 Y518 F522 F529 V1259 F1261 | L462-L503 HydrophobicContact CD1-CD2 3.81Å; V495-L503 HydrophobicContact CG1-CD2 3.63Å; T499-L503 WeakPolarHBondContact O-CG 3.26Å; T499-L503 PolarHBondContact O-N 2.85Å; P500-L503 PolarHBondContact O-N 3.19Å; L503-H506 PolarHBondContact O-N 2.93Å; L503-Y518 VanDerWaalsContact CA-OH 3.25Å; L503-Y518 WeakPolarHBondContact CA-OH 3.49Å; L503-Y518 WeakPolarHBondContact CB-OH 3.44Å; L503-Y518 HydrophobicContact CD2-CE2 4.36Å; L503-Y518 WeakPolarHBondContact CD2-OH 3.42Å; L503-Y518 PolarHBondContact O-OH 3.36Å; L503-F522 HydrophobicContact CB-CD2 4.2Å; L503-F522 HydrophobicContact CB-CE2 3.76Å; L503-F529 HydrophobicContact CD1-CE2 4.24Å; L503-F529 HydrophobicContact CD1-CZ 4.19Å; L503-V1259 HydrophobicContact CD1-CB 3.89Å; L503-V1259 HydrophobicContact CD1-CG1 4.14Å; L503-V1259 HydrophobicContact CD1-CG2 4.38Å; L503-F1261 HydrophobicContact CD1-CD2 4.3Å; L503-F1261 HydrophobicContact CD2-CD2 3.98Å; L503-F1261 HydrophobicContact CD2-CG 4.45Å |
| 504 | I | 91.7 | Very high | 81.1 | Confident | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.1 | -40.5 | 173.6 | -59.5 | 159.5 | 0 | 0 | 0 | 111.4 | P500 E501 K502 H506 L507 F522 L530 I536 R539 W543 | P500-I504 WeakPolarHBondContact O-CD1 3.39Å; P500-I504 VanDerWaalsContact O-CG1 3.26Å; P500-I504 WeakPolarHBondContact O-CG1 3.41Å; P500-I504 PolarHBondContact O-N 3.09Å; E501-I504 PolarHBondContact O-N 2.85Å; K502-I504 VanDerWaalsContact C-N 3.33Å; I504-H506 VanDerWaalsContact C-N 3.31Å; I504-H506 PolarHBondContact O-N 3.19Å; I504-L507 HydrophobicContact CG2-CD1 4.41Å; I504-L507 WeakPolarHBondContact O-CB 3.22Å; I504-L507 PolarHBondContact O-N 2.93Å; I504-F522 HydrophobicContact CG1-CE2 4.29Å; I504-F522 HydrophobicContact CG1-CZ 3.69Å; I504-L530 HydrophobicContact CD1-CD1 4.23Å; I504-I536 HydrophobicContact CD1-CG1 4.26Å; I504-I536 HydrophobicContact CG1-CG1 4.26Å; I504-R539 HydrophobicContact CG2-CB 4.1Å; I504-R539 HydrophobicContact CG2-CG 4.44Å; I504-W543 HydrophobicContact CG2-CH2 3.99Å; I504-W543 HydrophobicContact CG2-CZ3 4.09Å |
| 505 | E | 88 | Confident | 80.6 | Confident | 67 Ų | 67 | 34 Ų | 34 | 31% | 0.313 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.7 | -38.2 | 172.7 | -83.3 | 156.2 | -123.9 | 0 | 0 | 112.4 | E501 K502 L507 I508 R539 W543 | E501-E505 PolarHBondContact O-N 3.3Å; K502-E505 VanDerWaalsContact CD-OE2 3.32Å; K502-E505 WeakPolarHBondContact CD-OE2 3.46Å; K502-E505 WeakPolarHBondContact CE-OE2 3.47Å; K502-E505 IonicContact NZ-OE2 2.68Å; K502-E505 PolarHBondContact NZ-OE2 2.88Å; K502-E505 PolarHBondContact O-N 3.45Å; E505-L507 PolarHBondContact O-N 2.69Å; E505-I508 PolarHBondContact O-N 3.16Å; E505-R539 IonicContact OE1-CZ 3.53Å; E505-R539 IonicContact OE1-NH1 3.89Å; E505-R539 PolarHBondContact OE1-NH1 3.41Å; E505-R539 IonicContact OE1-NH2 3.59Å; E505-W543 HydrophobicContact CG-CH2 4.07Å; E505-W543 HydrophobicContact CG-CZ2 3.81Å |
| 506 | H | 88.4 | Confident | 80.2 | Confident | 19 Ų | 19 | 38.2 Ų | 38.2 | 9% | 0.088 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.1 | -20.9 | -178.4 | -161.1 | 75.9 | 0 | 0 | 0 | 113.7 | L462 Y464 K502 L503 I504 I508 A509 Y518 | L462-H506 HydrophobicContact CD2-CB 4.18Å; Y464-H506 AromaticContact CE1-CE1 3.43Å; Y464-H506 VanDerWaalsContact CE1-CE1 3.43Å; Y464-H506 WeakPolarHBondContact CE1-CE1 3.34Å; Y464-H506 AromaticContact CE1-ND1 3.69Å; Y464-H506 AromaticContact CZ-ND1 3.98Å; Y464-H506 PolarHBondContact OH-ND1 2.87Å; K502-H506 WeakPolarHBondContact O-CB 3.48Å; K502-H506 PolarHBondContact O-N 3.26Å; L503-H506 PolarHBondContact O-N 2.93Å; I504-H506 VanDerWaalsContact C-N 3.31Å; I504-H506 PolarHBondContact O-N 3.19Å; H506-I508 PolarHBondContact O-N 3.5Å; H506-I508 VanDerWaalsContact O-N 3.13Å; H506-A509 PolarHBondContact O-N 3.47Å; H506-Y518 HydrophobicContact CB-CE1 4.08Å; H506-Y518 AromaticContact CD2-CD1 3.88Å; H506-Y518 AromaticContact CD2-CE1 3.73Å; H506-Y518 AromaticContact CD2-CZ 3.99Å |
| 507 | L | 86 | Confident | 80.2 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -30.7 | 173 | -69.1 | 171.9 | 0 | 0 | 0 | 113 | I504 E505 Y518 P519 F522 I536 R553 I557 | I504-L507 HydrophobicContact CG2-CD1 4.41Å; I504-L507 WeakPolarHBondContact O-CB 3.22Å; I504-L507 PolarHBondContact O-N 2.93Å; E505-L507 PolarHBondContact O-N 2.69Å; L507-Y518 HydrophobicContact CD2-CD1 4.27Å; L507-Y518 HydrophobicContact CD2-CE1 3.88Å; L507-Y518 HydrophobicContact CG-CE1 4.31Å; L507-P519 HydrophobicContact CD2-CB 4.45Å; L507-F522 HydrophobicContact CD1-CD1 3.97Å; L507-F522 HydrophobicContact CD1-CE1 3.83Å; L507-F522 HydrophobicContact CD1-CZ 4.34Å; L507-F522 HydrophobicContact CD2-CB 4.11Å; L507-F522 HydrophobicContact CD2-CD1 3.87Å; L507-F522 HydrophobicContact CD2-CG 3.95Å; L507-F522 HydrophobicContact CG-CD1 4.32Å; L507-I536 HydrophobicContact CD1-CG2 4.23Å; L507-R553 PolarHBondContact O-NH1 3.11Å; L507-I557 HydrophobicContact CB-CD1 4.31Å; L507-I557 WeakPolarHBondContact O-CD1 3.47Å |
| 508 | I | 82.9 | Confident | 80.3 | Confident | 14 Ų | 14 | 38.6 Ų | 38.6 | 7% | 0.072 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -13.1 | -176.7 | -58.6 | -159 | 0 | 0 | 0 | 113.1 | E505 H506 L540 W543 L550 R553 V554 I557 | E505-I508 PolarHBondContact O-N 3.16Å; H506-I508 PolarHBondContact O-N 3.5Å; H506-I508 VanDerWaalsContact O-N 3.13Å; I508-L540 HydrophobicContact CD1-CD2 4.02Å; I508-L540 HydrophobicContact CG1-CD2 4.4Å; I508-W543 HydrophobicContact CD1-CB 3.97Å; I508-W543 HydrophobicContact CD1-CD2 3.84Å; I508-W543 HydrophobicContact CD1-CE3 3.28Å; I508-W543 HydrophobicContact CD1-CG 4.16Å; I508-W543 HydrophobicContact CD1-CZ3 3.97Å; I508-W543 HydrophobicContact CG1-CE3 3.99Å; I508-W543 HydrophobicContact CG1-CZ3 4.19Å; I508-L550 HydrophobicContact CG2-CB 4.05Å; I508-L550 HydrophobicContact CG2-CD1 3.78Å; I508-L550 HydrophobicContact CG2-CD2 3.78Å; I508-L550 HydrophobicContact CG2-CG 4.05Å; I508-R553 VanDerWaalsContact O-CZ 3.32Å; I508-R553 PolarHBondContact O-NH1 3.05Å; I508-R553 PolarHBondContact O-NH2 2.88Å; I508-V554 HydrophobicContact CD1-CG2 3.52Å; I508-I557 HydrophobicContact CG1-CD1 4.34Å |
| 509 | A | 75.7 | Confident | 80.2 | Confident | 35 Ų | 35 | 39.3 Ų | 39.3 | 29% | 0.289 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -53 | 153.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | H506 L511 R553 | H506-A509 PolarHBondContact O-N 3.47Å; A509-L511 PolarHBondContact O-N 2.76Å; A509-R553 VanDerWaalsContact O-CZ 3.29Å; A509-R553 PolarHBondContact O-NH1 3.37Å; A509-R553 PolarHBondContact O-NH2 3.18Å |
| 510 | D | 62.6 | Low | 80.1 | Confident | 135 Ų | 135 | 41.1 Ų | 41.1 | 72% | 0.722 | 22% | 0.224 | S | C | * | . | trans | -73.7 | 88.8 | -175.8 | -83.6 | -33.4 | 0 | 0 | 0 | 113.3 | S512 R553 | D510-S512 PolarHBondContact O-N 2.97Å; D510-R553 IonicContact OD1-NH2 2.83Å; D510-R553 PolarHBondContact OD1-NH2 3.3Å | ||
| 511 | L | 63.3 | Low | 80.3 | Confident | 33 Ų | 33 | 39.7 Ų | 39.7 | 17% | 0.173 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -64.1 | 12.3 | 176.9 | -62.9 | 171.3 | 0 | 0 | 0 | 114.6 | A509 N513 G514 P519 | A509-L511 PolarHBondContact O-N 2.76Å; L511-N513 PolarHBondContact O-N 2.62Å; L511-G514 PolarHBondContact O-N 3.27Å; L511-G514 VanDerWaalsContact O-N 3.11Å; L511-P519 HydrophobicContact CD1-CG 4.05Å |
| 512 | S | 58.2 | Low | 80.5 | Confident | 39 Ų | 39 | 35.3 Ų | 35.3 | 27% | 0.273 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -62.2 | -23.5 | 175.6 | 56.5 | 0 | 0 | 0 | 0 | 113.2 | D510 | D510-S512 PolarHBondContact O-N 2.97Š|
| 513 | N | 55 | Low | 80.6 | Confident | 93 Ų | 93 | 33.2 Ų | 33.2 | 50% | 0.497 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -122.3 | 18.9 | 172.8 | -58.7 | -27.4 | 0 | 0 | 0 | 112.2 | C492 R493 L511 | C492-N513 WeakPolarHBondContact CA-O 3.38Å; R493-N513 PolarHBondContact N-O 3.46Å; L511-N513 PolarHBondContact O-N 2.62Å |
| 514 | G | 62.2 | Low | 80.7 | Confident | 11 Ų | 11 | 33.7 Ų | 33.7 | 11% | 0.113 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | -122.6 | 174.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | C492 L511 I516 | C492-G514 VanDerWaalsContact SG-C 3.52Å; L511-G514 PolarHBondContact O-N 3.27Å; L511-G514 VanDerWaalsContact O-N 3.11Å; G514-I516 PolarHBondContact O-N 2.8Å |
| 515 | D | 71.2 | Confident | 80.8 | Confident | 16 Ų | 16 | 33.5 Ų | 33.5 | 9% | 0.086 | 19% | 0.186 | C | C | . | . | trans | -65.5 | 120.1 | -179.7 | 176.7 | 14.9 | 0 | 0 | 0 | 112.7 | R493 L494 T517 Y518 R1265 | R493-D515 PolarHBondContact O-N 3.04Å; L494-D515 HydrophobicContact CD2-CB 3.61Å; L494-D515 HydrophobicContact CG-CB 4.23Å; D515-T517 PolarHBondContact OD1-N 2.92Å; D515-T517 PolarHBondContact OD1-OG1 3.49Å; D515-Y518 WeakPolarHBondContact O-CB 3.18Å; D515-Y518 PolarHBondContact O-N 3.35Å; D515-Y518 PolarHBondContact OD2-N 3.24Å; D515-R1265 IonicContact OD2-CZ 3.65Å; D515-R1265 VanDerWaalsContact OD2-CZ 3.23Å; D515-R1265 IonicContact OD2-NE 2.75Å; D515-R1265 PolarHBondContact OD2-NE 3.35Å; D515-R1265 IonicContact OD2-NH2 3.63Å; D515-R1265 PolarHBondContact OD2-NH2 3.29Å | ||
| 516 | I | 79.2 | Confident | 81 | Confident | 90 Ų | 90 | 30.3 Ų | 30.3 | 46% | 0.462 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -75.5 | -24.7 | -179.1 | -61.6 | 175.3 | 0 | 0 | 0 | 111.7 | G514 P519 F1324 | G514-I516 PolarHBondContact O-N 2.8Å; I516-P519 WeakPolarHBondContact O-CD 3.33Å; I516-F1324 WeakPolarHBondContact CD1-O 3.33Å; I516-F1324 HydrophobicContact CG2-CB 4.3Å |
| 517 | T | 85.1 | Confident | 81.1 | Confident | 55 Ų | 55 | 29.4 Ų | 29.4 | 34% | 0.337 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -83.2 | -14.8 | 176 | 43.7 | 0 | 0 | 0 | 0 | 114 | D515 P519 E520 D521 | D515-T517 PolarHBondContact OD1-N 2.92Å; D515-T517 PolarHBondContact OD1-OG1 3.49Å; T517-P519 VanDerWaalsContact C-CD 3.49Å; T517-E520 WeakPolarHBondContact O-CB 3.22Å; T517-E520 PolarHBondContact O-N 3.23Å; T517-D521 PolarHBondContact O-N 3.48Å |
| 518 | Y | 90.2 | Very high | 81.3 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -49.1 | -44.4 | -177.9 | 179.5 | -94.8 | 0 | 0 | 0 | 114.8 | V495 L503 H506 L507 D515 E520 D521 F522 F1261 | V495-Y518 HydrophobicContact CB-CD2 4.29Å; V495-Y518 HydrophobicContact CB-CE2 4.03Å; V495-Y518 HydrophobicContact CG1-CE2 4.26Å; V495-Y518 HydrophobicContact CG2-CD2 4.28Å; V495-Y518 HydrophobicContact CG2-CE2 4.01Å; L503-Y518 VanDerWaalsContact CA-OH 3.25Å; L503-Y518 WeakPolarHBondContact CA-OH 3.49Å; L503-Y518 WeakPolarHBondContact CB-OH 3.44Å; L503-Y518 HydrophobicContact CD2-CE2 4.36Å; L503-Y518 WeakPolarHBondContact CD2-OH 3.42Å; L503-Y518 PolarHBondContact O-OH 3.36Å; H506-Y518 HydrophobicContact CB-CE1 4.08Å; H506-Y518 AromaticContact CD2-CD1 3.88Å; H506-Y518 AromaticContact CD2-CE1 3.73Å; H506-Y518 AromaticContact CD2-CZ 3.99Å; L507-Y518 HydrophobicContact CD2-CD1 4.27Å; L507-Y518 HydrophobicContact CD2-CE1 3.88Å; L507-Y518 HydrophobicContact CG-CE1 4.31Å; D515-Y518 WeakPolarHBondContact O-CB 3.18Å; D515-Y518 PolarHBondContact O-N 3.35Å; D515-Y518 PolarHBondContact OD2-N 3.24Å; Y518-E520 PolarHBondContact O-N 2.84Å; Y518-D521 PolarHBondContact O-N 2.8Å; Y518-F522 HydrophobicContact CE1-CB 4.47Å; Y518-F522 VanDerWaalsContact O-CB 3.26Å; Y518-F522 WeakPolarHBondContact O-CB 3.4Å; Y518-F522 PolarHBondContact O-N 3.49Å; Y518-F1261 HydrophobicContact CD2-CD1 4.15Å; Y518-F1261 AromaticContact CD2-CE1 3.42Å; Y518-F1261 HydrophobicContact CD2-CE1 3.42Å; Y518-F1261 VanDerWaalsContact CD2-CE1 3.42Å; Y518-F1261 HydrophobicContact CD2-CE2 4.28Å; Y518-F1261 AromaticContact CD2-CZ 3.5Å; Y518-F1261 HydrophobicContact CD2-CZ 3.5Å; Y518-F1261 HydrophobicContact CE2-CD1 4.05Å; Y518-F1261 HydrophobicContact CE2-CD2 4.14Å; Y518-F1261 AromaticContact CE2-CE1 3.58Å; Y518-F1261 HydrophobicContact CE2-CE1 3.58Å; Y518-F1261 AromaticContact CE2-CE2 3.67Å; Y518-F1261 HydrophobicContact CE2-CE2 3.67Å; Y518-F1261 HydrophobicContact CE2-CG 4.32Å; Y518-F1261 AromaticContact CE2-CZ 3.36Å; Y518-F1261 HydrophobicContact CE2-CZ 3.36Å; Y518-F1261 HydrophobicContact CG-CZ 4.48Å |
| 519 | P | 90.6 | Very high | 81.7 | Confident | 16 Ų | 16 | 31.3 Ų | 31.3 | 10% | 0.104 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.5 | -35 | 178.8 | -20.9 | 34.7 | 0 | 0 | 0 | 113.3 | L507 L511 I516 T517 L523 L560 | L507-P519 HydrophobicContact CD2-CB 4.45Å; L511-P519 HydrophobicContact CD1-CG 4.05Å; I516-P519 WeakPolarHBondContact O-CD 3.33Å; T517-P519 VanDerWaalsContact C-CD 3.49Å; P519-L523 VanDerWaalsContact O-CB 3.25Å; P519-L523 WeakPolarHBondContact O-CB 3.29Å; P519-L523 WeakPolarHBondContact O-CD1 3.25Å; P519-L523 WeakPolarHBondContact O-CG 3.27Å; P519-L523 PolarHBondContact O-N 3.03Å; P519-L523 VanDerWaalsContact O-N 3.09Å; P519-L560 HydrophobicContact CB-CD2 4.16Å |
| 520 | E | 89.7 | Confident | 82.3 | Confident | 68 Ų | 68 | 30.6 Ų | 30.6 | 32% | 0.318 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -70.2 | -45.3 | 174.3 | -70.4 | -178.8 | 175.7 | 0 | 0 | 111.1 | T517 Y518 F522 L523 L524 L560 R1272 | T517-E520 WeakPolarHBondContact O-CB 3.22Å; T517-E520 PolarHBondContact O-N 3.23Å; Y518-E520 PolarHBondContact O-N 2.84Å; E520-F522 VanDerWaalsContact C-N 3.35Å; E520-F522 PolarHBondContact O-N 3.31Å; E520-L523 PolarHBondContact O-N 3.27Å; E520-L524 WeakPolarHBondContact O-CB 3.48Å; E520-L524 PolarHBondContact O-N 3.05Å; E520-L560 HydrophobicContact CG-CD1 4.35Å; E520-L560 HydrophobicContact CG-CD2 3.99Å; E520-R1272 IonicContact OE2-CZ 2.71Å; E520-R1272 IonicContact OE2-NE 3.81Å; E520-R1272 PolarHBondContact OE2-NE 2.89Å; E520-R1272 IonicContact OE2-NH2 3.23Å; E520-R1272 PolarHBondContact OE2-NH2 2.78Å |
| 521 | D | 93.4 | Very high | 83.1 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.3 | -42.3 | -178.9 | -61.6 | -28.4 | 0 | 0 | 0 | 110.9 | T517 Y518 T525 F1261 R1265 A1268 R1272 | T517-D521 PolarHBondContact O-N 3.48Å; Y518-D521 PolarHBondContact O-N 2.8Å; D521-T525 WeakPolarHBondContact O-CB 3.47Å; D521-T525 WeakPolarHBondContact O-CG2 3.3Å; D521-T525 PolarHBondContact O-N 3.42Å; D521-T525 PolarHBondContact O-OG1 3.41Å; D521-F1261 HydrophobicContact CB-CE1 4.14Å; D521-F1261 HydrophobicContact CB-CZ 4Å; D521-R1265 IonicContact OD2-NE 3.23Å; D521-A1268 HydrophobicContact CB-CB 3.94Å; D521-A1268 WeakPolarHBondContact OD1-CB 3.42Å; D521-R1272 IonicContact OD1-CZ 2.78Å; D521-R1272 IonicContact OD1-NH1 2.76Å; D521-R1272 PolarHBondContact OD1-NH1 3.49Å; D521-R1272 IonicContact OD1-NH2 3.32Å; D521-R1272 PolarHBondContact OD1-NH2 2.65Å |
| 522 | F | 94.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.8 | -48.8 | 175.3 | -179 | -80.3 | 0 | 0 | 0 | 111.8 | L503 I504 L507 Y518 E520 L524 T525 Y526 F529 I536 F1261 | L503-F522 HydrophobicContact CB-CD2 4.2Å; L503-F522 HydrophobicContact CB-CE2 3.76Å; I504-F522 HydrophobicContact CG1-CE2 4.29Å; I504-F522 HydrophobicContact CG1-CZ 3.69Å; L507-F522 HydrophobicContact CD1-CD1 3.97Å; L507-F522 HydrophobicContact CD1-CE1 3.83Å; L507-F522 HydrophobicContact CD1-CZ 4.34Å; L507-F522 HydrophobicContact CD2-CB 4.11Å; L507-F522 HydrophobicContact CD2-CD1 3.87Å; L507-F522 HydrophobicContact CD2-CG 3.95Å; L507-F522 HydrophobicContact CG-CD1 4.32Å; Y518-F522 HydrophobicContact CE1-CB 4.47Å; Y518-F522 VanDerWaalsContact O-CB 3.26Å; Y518-F522 WeakPolarHBondContact O-CB 3.4Å; Y518-F522 PolarHBondContact O-N 3.49Å; E520-F522 VanDerWaalsContact C-N 3.35Å; E520-F522 PolarHBondContact O-N 3.31Å; F522-L524 VanDerWaalsContact C-N 3.28Å; F522-L524 PolarHBondContact O-N 2.97Å; F522-T525 PolarHBondContact O-N 2.76Å; F522-T525 VanDerWaalsContact O-N 3.12Å; F522-Y526 PolarHBondContact O-N 3.39Å; F522-F529 HydrophobicContact CD2-CZ 4.14Å; F522-F529 HydrophobicContact CE2-CE2 4.17Å; F522-F529 AromaticContact CE2-CZ 3.66Å; F522-F529 HydrophobicContact CE2-CZ 3.66Å; F522-F529 HydrophobicContact CZ-CZ 4.24Å; F522-I536 HydrophobicContact CE1-CD1 3.89Å; F522-I536 HydrophobicContact CE1-CG1 4.23Å; F522-I536 HydrophobicContact CE1-CG2 4.33Å; F522-I536 HydrophobicContact CZ-CD1 4.31Å; F522-I536 HydrophobicContact CZ-CG1 4.38Å; F522-F1261 HydrophobicContact CB-CE2 4.19Å; F522-F1261 HydrophobicContact CB-CZ 4.13Å; F522-F1261 HydrophobicContact CD2-CE2 4.15Å |
| 523 | L | 93.2 | Very high | 85.5 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.2 | -25.8 | -176.5 | -71.5 | 173.2 | 0 | 0 | 0 | 113.4 | P519 E520 Y526 I557 L560 W561 | P519-L523 VanDerWaalsContact O-CB 3.25Å; P519-L523 WeakPolarHBondContact O-CB 3.29Å; P519-L523 WeakPolarHBondContact O-CD1 3.25Å; P519-L523 WeakPolarHBondContact O-CG 3.27Å; P519-L523 PolarHBondContact O-N 3.03Å; P519-L523 VanDerWaalsContact O-N 3.09Å; E520-L523 PolarHBondContact O-N 3.27Å; L523-Y526 VanDerWaalsContact O-CD1 3.27Å; L523-Y526 WeakPolarHBondContact O-CD1 3.4Å; L523-Y526 VanDerWaalsContact O-CE1 3.31Å; L523-Y526 WeakPolarHBondContact O-CE1 3.22Å; L523-I557 HydrophobicContact CD1-CG2 4.34Å; L523-L560 HydrophobicContact CD1-CD2 4.25Å; L523-L560 HydrophobicContact CD1-CG 4.37Å; L523-W561 HydrophobicContact CD1-CB 3.8Å; L523-W561 HydrophobicContact CD1-CG 4.27Å; L523-W561 HydrophobicContact CD2-CB 4.08Å; L523-W561 HydrophobicContact CD2-CD2 3.54Å; L523-W561 HydrophobicContact CD2-CE3 3.69Å; L523-W561 HydrophobicContact CD2-CG 3.72Å; L523-W561 HydrophobicContact CD2-CZ3 4.3Å; L523-W561 HydrophobicContact CG-CB 4.49Å; L523-W561 HydrophobicContact CG-CG 4.45Å |
| 524 | L | 93.6 | Very high | 86.9 | Confident | 10 Ų | 10 | 28.3 Ų | 28.3 | 5% | 0.052 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -72.8 | -41.7 | 169.4 | 174.9 | 59 | 0 | 0 | 0 | 111.9 | E520 F522 R527 S1082 T1083 I1086 A1268 V1271 | E520-L524 WeakPolarHBondContact O-CB 3.48Å; E520-L524 PolarHBondContact O-N 3.05Å; F522-L524 VanDerWaalsContact C-N 3.28Å; F522-L524 PolarHBondContact O-N 2.97Å; L524-R527 PolarHBondContact O-NE 3.07Å; L524-R527 VanDerWaalsContact O-NE 3.09Å; L524-S1082 WeakPolarHBondContact CD1-O 3.47Å; L524-T1083 HydrophobicContact CD1-CG2 4.49Å; L524-I1086 HydrophobicContact CD1-CG1 3.8Å; L524-I1086 HydrophobicContact CD2-CG1 4.45Å; L524-I1086 HydrophobicContact CG-CD1 4.45Å; L524-I1086 HydrophobicContact CG-CG1 3.96Å; L524-A1268 HydrophobicContact CD2-CB 3.93Å; L524-V1271 HydrophobicContact CD2-CB 4.08Å; L524-V1271 HydrophobicContact CD2-CG1 3.9Å |
| 525 | T | 93.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -105 | -8.6 | -162.7 | 62.6 | 0 | 0 | 0 | 0 | 116.3 | D521 F522 R527 T528 I1086 L1264 A1268 | D521-T525 WeakPolarHBondContact O-CB 3.47Å; D521-T525 WeakPolarHBondContact O-CG2 3.3Å; D521-T525 PolarHBondContact O-N 3.42Å; D521-T525 PolarHBondContact O-OG1 3.41Å; F522-T525 PolarHBondContact O-N 2.76Å; F522-T525 VanDerWaalsContact O-N 3.12Å; T525-R527 PolarHBondContact O-N 3.14Å; T525-T528 WeakPolarHBondContact O-CB 3.49Å; T525-T528 WeakPolarHBondContact O-CG2 3.37Å; T525-T528 PolarHBondContact O-N 2.92Å; T525-T528 PolarHBondContact O-OG1 3.03Å; T525-I1086 HydrophobicContact CG2-CD1 4.48Å; T525-L1264 HydrophobicContact CG2-CB 4.11Å; T525-L1264 HydrophobicContact CG2-CD2 4.47Å; T525-A1268 HydrophobicContact CG2-CB 4.37Å |
| 526 | Y | 92.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -52.1 | -34.1 | -177.8 | 77 | -89.4 | 0 | 0 | 0 | 113.6 | F522 L523 T528 F529 L530 P533 I536 W561 D568 | F522-Y526 PolarHBondContact O-N 3.39Å; L523-Y526 VanDerWaalsContact O-CD1 3.27Å; L523-Y526 WeakPolarHBondContact O-CD1 3.4Å; L523-Y526 VanDerWaalsContact O-CE1 3.31Å; L523-Y526 WeakPolarHBondContact O-CE1 3.22Å; Y526-T528 PolarHBondContact O-N 3.15Å; Y526-F529 PolarHBondContact O-N 3.05Å; Y526-L530 HydrophobicContact CD2-CB 4.38Å; Y526-L530 HydrophobicContact CD2-CD1 4.4Å; Y526-L530 PolarHBondContact O-N 2.9Å; Y526-P533 HydrophobicContact CE2-CB 3.7Å; Y526-P533 HydrophobicContact CE2-CG 4.36Å; Y526-I536 HydrophobicContact CD1-CD1 4.18Å; Y526-I536 HydrophobicContact CD2-CD1 3.54Å; Y526-I536 HydrophobicContact CE2-CD1 4.15Å; Y526-I536 HydrophobicContact CG-CD1 3.58Å; Y526-W561 AromaticContact CE1-CZ2 3.8Å; Y526-W561 HydrophobicContact CE1-CZ2 3.8Å; Y526-W561 AromaticContact CZ-CZ2 3.79Å; Y526-D568 VanDerWaalsContact CE1-OD2 3.27Å; Y526-D568 WeakPolarHBondContact CE1-OD2 3.22Å; Y526-D568 PolarHBondContact OH-OD2 3.11Å |
| 527 | R | 90.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -52.6 | -19.5 | 175.3 | 66.6 | -176.8 | 72.2 | -131.1 | -17.1 | 115.3 | L524 T525 D568 I1086 D1087 L1092 G1115 Y1116 T1118 | L524-R527 PolarHBondContact O-NE 3.07Å; L524-R527 VanDerWaalsContact O-NE 3.09Å; T525-R527 PolarHBondContact O-N 3.14Å; R527-D568 IonicContact CZ-OD1 2.74Å; R527-D568 IonicContact NH2-OD1 3.69Å; R527-D568 PolarHBondContact NH2-OD1 3.48Å; R527-D568 IonicContact NH2-OD2 3.33Å; R527-D568 PolarHBondContact NH2-OD2 3.14Å; R527-I1086 HydrophobicContact CG-CG2 3.89Å; R527-D1087 WeakPolarHBondContact CD-OD1 3.3Å; R527-D1087 IonicContact CZ-OD1 3.56Å; R527-D1087 IonicContact NE-OD1 3.97Å; R527-D1087 IonicContact NH1-OD1 3.32Å; R527-D1087 PolarHBondContact NH1-OD1 3.15Å; R527-D1087 IonicContact NH1-OD2 2.82Å; R527-D1087 PolarHBondContact NH1-OD2 3.23Å; R527-L1092 HydrophobicContact CB-CD1 4.44Å; R527-L1092 HydrophobicContact CG-CD1 4.17Å; R527-G1115 WeakPolarHBondContact O-CA 3.29Å; R527-Y1116 WeakPolarHBondContact CB-O 3.33Å; R527-Y1116 PolarHBondContact O-N 3Å; R527-T1118 PolarHBondContact NH1-OG1 3.08Å |
| 528 | T | 90.2 | Very high | 89.7 | Confident | 27 Ų | 27 | 26.4 Ų | 26.4 | 17% | 0.166 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -86.5 | -12.8 | -179 | 64.6 | 0 | 0 | 0 | 0 | 113.6 | T525 Y526 I1086 F1090 | T525-T528 WeakPolarHBondContact O-CB 3.49Å; T525-T528 WeakPolarHBondContact O-CG2 3.37Å; T525-T528 PolarHBondContact O-N 2.92Å; T525-T528 PolarHBondContact O-OG1 3.03Å; Y526-T528 PolarHBondContact O-N 3.15Å; T528-I1086 HydrophobicContact CG2-CG2 3.49Å; T528-I1086 VanDerWaalsContact CG2-CG2 3.49Å; T528-F1090 HydrophobicContact CG2-CD1 3.77Å; T528-F1090 HydrophobicContact CG2-CD2 3.7Å; T528-F1090 HydrophobicContact CG2-CE1 3.71Å; T528-F1090 HydrophobicContact CG2-CE2 3.63Å; T528-F1090 HydrophobicContact CG2-CG 3.78Å; T528-F1090 HydrophobicContact CG2-CZ 3.63Å |
| 529 | F | 90.6 | Very high | 89.6 | Confident | 29 Ų | 29 | 29.9 Ų | 29.9 | 13% | 0.127 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -140.5 | 7.9 | -179 | 64.6 | -94.5 | 0 | 0 | 0 | 114.3 | P500 L503 F522 Y526 V1259 L1264 | P500-F529 HydrophobicContact CB-CD2 4.08Å; P500-F529 HydrophobicContact CB-CE2 4.23Å; P500-F529 HydrophobicContact CG-CD2 4.16Å; L503-F529 HydrophobicContact CD1-CE2 4.24Å; L503-F529 HydrophobicContact CD1-CZ 4.19Å; F522-F529 HydrophobicContact CD2-CZ 4.14Å; F522-F529 HydrophobicContact CE2-CE2 4.17Å; F522-F529 AromaticContact CE2-CZ 3.66Å; F522-F529 HydrophobicContact CE2-CZ 3.66Å; F522-F529 HydrophobicContact CZ-CZ 4.24Å; Y526-F529 PolarHBondContact O-N 3.05Å; F529-V1259 HydrophobicContact CB-CG1 4.23Å; F529-V1259 HydrophobicContact CB-CG2 3.94Å; F529-V1259 HydrophobicContact CD1-CG1 3.77Å; F529-V1259 HydrophobicContact CD2-CG1 4.48Å; F529-V1259 HydrophobicContact CD2-CG2 4.04Å; F529-V1259 HydrophobicContact CE1-CG1 4.21Å; F529-V1259 HydrophobicContact CG-CG1 3.92Å; F529-V1259 HydrophobicContact CG-CG2 3.98Å; F529-L1264 HydrophobicContact CD1-CD1 3.68Å; F529-L1264 HydrophobicContact CE1-CD1 3.52Å |
| 530 | L | 88.1 | Confident | 89.6 | Confident | 19 Ų | 19 | 29.1 Ų | 29.1 | 10% | 0.099 | 15% | 0.147 | C | C | . | . | trans | -135.2 | 124.9 | 173.5 | -69 | 176.4 | 0 | 0 | 0 | 111 | P500 I504 Y526 S532 I536 T1114 Y1116 | P500-L530 HydrophobicContact CB-CD2 3.95Å; I504-L530 HydrophobicContact CD1-CD1 4.23Å; Y526-L530 HydrophobicContact CD2-CB 4.38Å; Y526-L530 HydrophobicContact CD2-CD1 4.4Å; Y526-L530 PolarHBondContact O-N 2.9Å; L530-S532 PolarHBondContact O-N 2.78Å; L530-S532 VanDerWaalsContact O-N 3.16Å; L530-I536 HydrophobicContact CD1-CD1 3.95Å; L530-I536 HydrophobicContact CD1-CG1 3.89Å; L530-T1114 CarbonylContact C-O 3.52Å; L530-Y1116 PolarHBondContact O-N 3.35Å | ||
| 531 | D | 80.1 | Confident | 89.5 | Confident | 109 Ų | 109 | 26 Ų | 26 | 58% | 0.583 | 13% | 0.132 | S | C | * | . | S | Bend | trans | -60.5 | -21.3 | 175.2 | -53.1 | 63.6 | 0 | 0 | 0 | 113.4 | T1114 | D531-T1114 PolarHBondContact N-O 3.08Å; D531-T1114 VanDerWaalsContact OD2-CB 3.22Å; D531-T1114 WeakPolarHBondContact OD2-CB 3.41Å; D531-T1114 WeakPolarHBondContact OD2-CG2 3.22Å |
| 532 | S | 83.4 | Confident | 89.2 | Confident | 41 Ų | 41 | 28 Ų | 28 | 29% | 0.287 | 15% | 0.146 | S | C | . | . | trans | -153.5 | 143.5 | -177.3 | -173.9 | 0 | 0 | 0 | 0 | 112 | L530 R534 P535 | L530-S532 PolarHBondContact O-N 2.78Å; L530-S532 VanDerWaalsContact O-N 3.16Å; S532-R534 PolarHBondContact O-N 2.62Å; S532-R534 WeakPolarHBondContact OG-CB 3.22Å; S532-R534 PolarHBondContact OG-N 3.34Å; S532-P535 WeakPolarHBondContact O-CD 2.97Å | ||
| 533 | P | 87.7 | Confident | 88.9 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -67.8 | -14.8 | 169.1 | 22.3 | -29.9 | 0 | 0 | 0 | 114.3 | Y526 I536 V537 W561 M575 Y1116 | Y526-P533 HydrophobicContact CE2-CB 3.7Å; Y526-P533 HydrophobicContact CE2-CG 4.36Å; P533-I536 WeakPolarHBondContact O-CB 3.06Å; P533-I536 PolarHBondContact O-N 2.79Å; P533-I536 VanDerWaalsContact O-N 3.08Å; P533-V537 PolarHBondContact O-N 3.45Å; P533-W561 HydrophobicContact CB-CH2 3.62Å; P533-W561 HydrophobicContact CB-CZ2 3.66Å; P533-M575 HydrophobicContact CB-CE 4.45Å; P533-M575 HydrophobicContact CB-SD 4.02Å; P533-M575 HydrophobicContact CG-CE 3.87Å; P533-M575 HydrophobicContact CG-CG 4.19Å; P533-M575 HydrophobicContact CG-SD 3.89Å; P533-Y1116 HydrophobicContact CG-CD1 4.13Å; P533-Y1116 HydrophobicContact CG-CD2 4.39Å; P533-Y1116 HydrophobicContact CG-CE1 4.03Å; P533-Y1116 HydrophobicContact CG-CE2 4.31Å; P533-Y1116 HydrophobicContact CG-CG 4.3Å |
| 534 | R | 85.8 | Confident | 88.5 | Confident | 102 Ų | 102 | 30.2 Ų | 30.2 | 39% | 0.385 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -52.3 | -46.4 | -173.4 | -168.9 | -177.6 | -162.5 | 128.9 | 15.9 | 114.7 | S532 I536 V537 D538 E574 M575 | S532-R534 PolarHBondContact O-N 2.62Å; S532-R534 WeakPolarHBondContact OG-CB 3.22Å; S532-R534 PolarHBondContact OG-N 3.34Å; R534-I536 PolarHBondContact O-N 3.36Å; R534-V537 PolarHBondContact O-N 3.31Å; R534-V537 VanDerWaalsContact O-N 3.15Å; R534-D538 WeakPolarHBondContact CG-OD2 3.3Å; R534-D538 IonicContact NE-OD2 2.79Å; R534-D538 PolarHBondContact O-N 2.83Å; R534-E574 IonicContact CZ-OE2 2.63Å; R534-E574 IonicContact NH1-OE2 2.71Å; R534-E574 PolarHBondContact NH1-OE2 3.3Å; R534-E574 IonicContact NH2-OE2 2.57Å; R534-E574 PolarHBondContact NH2-OE2 2.93Å; R534-M575 HydrophobicContact CB-CE 4.03Å |
| 535 | P | 87.6 | Confident | 88 | Confident | 60 Ų | 60 | 34 Ų | 34 | 39% | 0.39 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.5 | -25.6 | -178.7 | -20.9 | 34.9 | 0 | 0 | 0 | 113.6 | S532 R539 | S532-P535 WeakPolarHBondContact O-CD 2.97Å; P535-R539 WeakPolarHBondContact O-CB 3.13Å; P535-R539 VanDerWaalsContact O-CG 3.31Å; P535-R539 WeakPolarHBondContact O-CG 3.09Å; P535-R539 PolarHBondContact O-N 2.91Å |
| 536 | I | 90.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.4 | -52.5 | 173.8 | -51.3 | 164.5 | 0 | 0 | 0 | 108.6 | I504 L507 F522 Y526 L530 P533 R534 R539 L540 W561 | I504-I536 HydrophobicContact CD1-CG1 4.26Å; I504-I536 HydrophobicContact CG1-CG1 4.26Å; L507-I536 HydrophobicContact CD1-CG2 4.23Å; F522-I536 HydrophobicContact CE1-CD1 3.89Å; F522-I536 HydrophobicContact CE1-CG1 4.23Å; F522-I536 HydrophobicContact CE1-CG2 4.33Å; F522-I536 HydrophobicContact CZ-CD1 4.31Å; F522-I536 HydrophobicContact CZ-CG1 4.38Å; Y526-I536 HydrophobicContact CD1-CD1 4.18Å; Y526-I536 HydrophobicContact CD2-CD1 3.54Å; Y526-I536 HydrophobicContact CE2-CD1 4.15Å; Y526-I536 HydrophobicContact CG-CD1 3.58Å; L530-I536 HydrophobicContact CD1-CD1 3.95Å; L530-I536 HydrophobicContact CD1-CG1 3.89Å; P533-I536 WeakPolarHBondContact O-CB 3.06Å; P533-I536 PolarHBondContact O-N 2.79Å; P533-I536 VanDerWaalsContact O-N 3.08Å; R534-I536 PolarHBondContact O-N 3.36Å; I536-R539 PolarHBondContact O-N 3.46Å; I536-L540 HydrophobicContact CG2-CD1 3.98Å; I536-L540 HydrophobicContact CG2-CG 4.39Å; I536-L540 WeakPolarHBondContact O-CB 3.48Å; I536-L540 VanDerWaalsContact O-CG 3.3Å; I536-L540 WeakPolarHBondContact O-CG 3.44Å; I536-L540 PolarHBondContact O-N 2.88Å; I536-W561 HydrophobicContact CB-CH2 4.07Å; I536-W561 HydrophobicContact CB-CZ3 4.08Å; I536-W561 HydrophobicContact CD1-CH2 3.88Å; I536-W561 HydrophobicContact CD1-CZ2 4.48Å; I536-W561 HydrophobicContact CG2-CH2 4.18Å; I536-W561 HydrophobicContact CG2-CZ3 3.76Å |
| 537 | V | 88.5 | Confident | 87.1 | Confident | 7 Ų | 7 | 44.2 Ų | 44.2 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.2 | -41.8 | -174.7 | -170.9 | 0 | 0 | 0 | 0 | 111.8 | P533 R534 R539 L540 L541 W561 M575 C578 | P533-V537 PolarHBondContact O-N 3.45Å; R534-V537 PolarHBondContact O-N 3.31Å; R534-V537 VanDerWaalsContact O-N 3.15Å; V537-R539 VanDerWaalsContact C-N 3.33Å; V537-R539 PolarHBondContact O-N 3.5Å; V537-L540 PolarHBondContact O-N 3.45Å; V537-L541 HydrophobicContact CG1-CD1 3.93Å; V537-L541 HydrophobicContact CG1-CG 4.02Å; V537-L541 WeakPolarHBondContact O-CB 3.42Å; V537-L541 VanDerWaalsContact O-CG 3.3Å; V537-L541 WeakPolarHBondContact O-CG 3.3Å; V537-L541 PolarHBondContact O-N 2.86Å; V537-W561 HydrophobicContact CG2-CE3 4.43Å; V537-W561 HydrophobicContact CG2-CH2 3.73Å; V537-W561 HydrophobicContact CG2-CZ3 3.45Å; V537-W561 VanDerWaalsContact CG2-CZ3 3.45Å; V537-M575 HydrophobicContact CB-SD 4.48Å; V537-M575 HydrophobicContact CG2-SD 3.76Å; V537-C578 HydrophobicContact CB-CB 4.44Å; V537-C578 HydrophobicContact CG1-CB 3.67Å |
| 538 | D | 88.8 | Confident | 86.6 | Confident | 66 Ų | 66 | 48.7 Ų | 48.7 | 35% | 0.353 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 176.5 | -80.6 | -36.4 | 0 | 0 | 0 | 111.6 | R534 S542 | R534-D538 WeakPolarHBondContact CG-OD2 3.3Å; R534-D538 IonicContact NE-OD2 2.79Å; R534-D538 PolarHBondContact O-N 2.83Å; D538-S542 WeakPolarHBondContact O-CB 2.96Å; D538-S542 PolarHBondContact O-N 3.47Å |
| 539 | R | 88.6 | Confident | 86.2 | Confident | 72 Ų | 72 | 56.7 Ų | 56.7 | 27% | 0.272 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.7 | -51.1 | 171.2 | -78.5 | 179.4 | 171 | -132.1 | -4.3 | 111.8 | E501 I504 E505 P535 I536 V537 L541 S542 W543 | E501-R539 PolarHBondContact O-NH1 3.38Å; I504-R539 HydrophobicContact CG2-CB 4.1Å; I504-R539 HydrophobicContact CG2-CG 4.44Å; E505-R539 IonicContact OE1-CZ 3.53Å; E505-R539 IonicContact OE1-NH1 3.89Å; E505-R539 PolarHBondContact OE1-NH1 3.41Å; E505-R539 IonicContact OE1-NH2 3.59Å; P535-R539 WeakPolarHBondContact O-CB 3.13Å; P535-R539 VanDerWaalsContact O-CG 3.31Å; P535-R539 WeakPolarHBondContact O-CG 3.09Å; P535-R539 PolarHBondContact O-N 2.91Å; I536-R539 PolarHBondContact O-N 3.46Å; V537-R539 VanDerWaalsContact C-N 3.33Å; V537-R539 PolarHBondContact O-N 3.5Å; R539-L541 PolarHBondContact O-N 2.6Å; R539-S542 PolarHBondContact O-N 3.19Å; R539-S542 PolarHBondContact O-OG 2.88Å; R539-W543 HydrophobicContact CB-CE3 4.1Å; R539-W543 HydrophobicContact CB-CH2 3.88Å; R539-W543 HydrophobicContact CB-CZ2 4.33Å; R539-W543 HydrophobicContact CB-CZ3 3.75Å; R539-W543 HydrophobicContact CG-CH2 4.39Å; R539-W543 PolarHBondContact O-N 2.67Å |
| 540 | L | 89.7 | Confident | 85.8 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -55.2 | -47.5 | 177.7 | -72.1 | 176.1 | 0 | 0 | 0 | 112.8 | I508 I536 V537 W543 H544 V554 I557 I558 | I508-L540 HydrophobicContact CD1-CD2 4.02Å; I508-L540 HydrophobicContact CG1-CD2 4.4Å; I536-L540 HydrophobicContact CG2-CD1 3.98Å; I536-L540 HydrophobicContact CG2-CG 4.39Å; I536-L540 WeakPolarHBondContact O-CB 3.48Å; I536-L540 VanDerWaalsContact O-CG 3.3Å; I536-L540 WeakPolarHBondContact O-CG 3.44Å; I536-L540 PolarHBondContact O-N 2.88Å; V537-L540 PolarHBondContact O-N 3.45Å; L540-W543 HydrophobicContact CD2-CE3 4.27Å; L540-W543 HydrophobicContact CD2-CZ3 4.39Å; L540-W543 PolarHBondContact O-N 3.42Å; L540-H544 PolarHBondContact O-N 2.69Å; L540-V554 HydrophobicContact CB-CG1 4.11Å; L540-V554 HydrophobicContact CD2-CG1 4.48Å; L540-V554 HydrophobicContact CD2-CG2 4.44Å; L540-I557 HydrophobicContact CD1-CG2 4.11Å; L540-I557 HydrophobicContact CD2-CG2 4.34Å; L540-I558 HydrophobicContact CB-CD1 4.36Å; L540-I558 HydrophobicContact CD1-CD1 4.46Å; L540-I558 HydrophobicContact CD1-CG1 3.97Å |
| 541 | L | 87.2 | Confident | 85.7 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65 | -41 | 177.5 | -66.5 | 178.9 | 0 | 0 | 0 | 111.7 | V537 R539 W543 H544 L545 K581 F582 M585 | V537-L541 HydrophobicContact CG1-CD1 3.93Å; V537-L541 HydrophobicContact CG1-CG 4.02Å; V537-L541 WeakPolarHBondContact O-CB 3.42Å; V537-L541 VanDerWaalsContact O-CG 3.3Å; V537-L541 WeakPolarHBondContact O-CG 3.3Å; V537-L541 PolarHBondContact O-N 2.86Å; R539-L541 PolarHBondContact O-N 2.6Å; L541-W543 VanDerWaalsContact C-N 3.34Å; L541-W543 PolarHBondContact O-N 3.32Å; L541-H544 PolarHBondContact O-N 2.8Å; L541-L545 WeakPolarHBondContact O-CG 3.28Å; L541-L545 PolarHBondContact O-N 2.94Å; L541-K581 HydrophobicContact CD1-CD 3.96Å; L541-K581 HydrophobicContact CD1-CG 4.29Å; L541-F582 HydrophobicContact CD2-CB 3.98Å; L541-F582 HydrophobicContact CD2-CD2 3.8Å; L541-F582 HydrophobicContact CD2-CG 4.3Å; L541-M585 HydrophobicContact CB-CE 4.43Å; L541-M585 HydrophobicContact CD2-CE 3.91Å; L541-M585 HydrophobicContact CD2-SD 3.94Å |
| 542 | S | 88.3 | Confident | 85.8 | Confident | 43 Ų | 43 | 58.1 Ų | 58.1 | 30% | 0.301 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 175.2 | 79.1 | 0 | 0 | 0 | 0 | 112.3 | D538 R539 L545 H546 | D538-S542 WeakPolarHBondContact O-CB 2.96Å; D538-S542 PolarHBondContact O-N 3.47Å; R539-S542 PolarHBondContact O-N 3.19Å; R539-S542 PolarHBondContact O-OG 2.88Å; S542-L545 PolarHBondContact O-N 2.92Å; S542-H546 PolarHBondContact O-N 3.47Å; S542-H546 PolarHBondContact O-ND1 2.9Å |
| 543 | W | 86.9 | Confident | 85.9 | Confident | 47 Ų | 47 | 58.8 Ų | 58.8 | 18% | 0.178 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70 | -37.1 | 178.9 | -69.6 | -42 | 0 | 0 | 0 | 112 | I504 E505 I508 R539 L540 L541 N547 V554 | I504-W543 HydrophobicContact CG2-CH2 3.99Å; I504-W543 HydrophobicContact CG2-CZ3 4.09Å; E505-W543 HydrophobicContact CG-CH2 4.07Å; E505-W543 HydrophobicContact CG-CZ2 3.81Å; I508-W543 HydrophobicContact CD1-CB 3.97Å; I508-W543 HydrophobicContact CD1-CD2 3.84Å; I508-W543 HydrophobicContact CD1-CE3 3.28Å; I508-W543 HydrophobicContact CD1-CG 4.16Å; I508-W543 HydrophobicContact CD1-CZ3 3.97Å; I508-W543 HydrophobicContact CG1-CE3 3.99Å; I508-W543 HydrophobicContact CG1-CZ3 4.19Å; R539-W543 HydrophobicContact CB-CE3 4.1Å; R539-W543 HydrophobicContact CB-CH2 3.88Å; R539-W543 HydrophobicContact CB-CZ2 4.33Å; R539-W543 HydrophobicContact CB-CZ3 3.75Å; R539-W543 HydrophobicContact CG-CH2 4.39Å; R539-W543 PolarHBondContact O-N 2.67Å; L540-W543 HydrophobicContact CD2-CE3 4.27Å; L540-W543 HydrophobicContact CD2-CZ3 4.39Å; L540-W543 PolarHBondContact O-N 3.42Å; L541-W543 VanDerWaalsContact C-N 3.34Å; L541-W543 PolarHBondContact O-N 3.32Å; W543-N547 WeakPolarHBondContact O-CB 3.44Å; W543-N547 PolarHBondContact O-N 2.75Å; W543-V554 HydrophobicContact CB-CG2 4.46Å |
| 544 | H | 85.2 | Confident | 86 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 172.4 | -177.4 | 118.2 | 0 | 0 | 0 | 111.2 | L540 L541 R551 V554 N555 F582 M585 D589 | L540-H544 PolarHBondContact O-N 2.69Å; L541-H544 PolarHBondContact O-N 2.8Å; H544-R551 HydrophobicContact CB-CG 4.49Å; H544-R551 WeakPolarHBondContact O-CG 3.39Å; H544-R551 PolarHBondContact O-NE 2.92Å; H544-R551 PolarHBondContact O-NH2 3.08Å; H544-V554 HydrophobicContact CB-CB 4.32Å; H544-V554 HydrophobicContact CB-CG1 4.08Å; H544-V554 HydrophobicContact CB-CG2 4.32Å; H544-N555 PolarHBondContact CE1-OD1 2.87Å; H544-N555 PolarHBondContact ND1-OD1 3.13Å; H544-F582 AromaticContact ND1-CE2 3.93Å; H544-M585 HydrophobicContact CB-CE 3.88Å; H544-M585 WeakPolarHBondContact CD2-CE 3.46Å; H544-D589 IonicContact NE2-OD2 3.4Å |
| 545 | L | 83.6 | Confident | 86.1 | Confident | 88 Ų | 88 | 54 Ų | 54 | 46% | 0.461 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.4 | -54.8 | 178 | -71 | 170.3 | 0 | 0 | 0 | 112.2 | L541 S542 R551 M585 | L541-L545 WeakPolarHBondContact O-CG 3.28Å; L541-L545 PolarHBondContact O-N 2.94Å; S542-L545 PolarHBondContact O-N 2.92Å; L545-R551 PolarHBondContact O-NH2 3.15Å; L545-M585 HydrophobicContact CD2-CE 3.86Å; L545-M585 HydrophobicContact CD2-CG 4.4Å; L545-M585 HydrophobicContact CD2-SD 4.14Å; L545-M585 HydrophobicContact CG-CE 3.75Å; L545-M585 HydrophobicContact CG-SD 4.29Å |
| 546 | H | 84 | Confident | 86 | Confident | 143 Ų | 143 | 58 Ų | 58 | 66% | 0.662 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -81.2 | -29.8 | -169.3 | -63.1 | 89.6 | 0 | 0 | 0 | 114.6 | S542 P548 | S542-H546 PolarHBondContact O-N 3.47Å; S542-H546 PolarHBondContact O-ND1 2.9Å; H546-P548 WeakPolarHBondContact O-CD 3.44Å |
| 547 | N | 83.2 | Confident | 86 | Confident | 73 Ų | 73 | 58.5 Ų | 58.5 | 39% | 0.39 | 28% | 0.284 | S | S | . | . | trans | -121.3 | 90.9 | -170.3 | -73.6 | -46.4 | 0 | 0 | 0 | 112.1 | W543 K549 L550 | W543-N547 WeakPolarHBondContact O-CB 3.44Å; W543-N547 PolarHBondContact O-N 2.75Å; N547-K549 PolarHBondContact O-N 3.27Å; N547-K549 VanDerWaalsContact O-N 3.09Å; N547-L550 HydrophobicContact CB-CB 4.18Å; N547-L550 HydrophobicContact CB-CD1 3.51Å; N547-L550 HydrophobicContact CB-CG 3.79Å; N547-L550 PolarHBondContact O-N 3.42Å | ||
| 548 | P | 79.3 | Confident | 86.1 | Confident | 93 Ų | 93 | 58.5 Ų | 58.5 | 60% | 0.604 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -58.9 | -29.2 | -176.1 | 21.3 | -32.7 | 0 | 0 | 0 | 113.9 | H546 L550 R551 | H546-P548 WeakPolarHBondContact O-CD 3.44Å; P548-L550 PolarHBondContact O-N 2.99Å; P548-R551 PolarHBondContact O-N 3.32Å |
| 549 | K | 82.1 | Confident | 86 | Confident | 196 Ų | 196 | 57 Ų | 57 | 85% | 0.852 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -63.5 | -21.2 | 175 | -65.7 | -177.7 | -179.8 | 177.1 | 0 | 114.3 | N547 | N547-K549 PolarHBondContact O-N 3.27Å; N547-K549 VanDerWaalsContact O-N 3.09Å |
| 550 | L | 83.5 | Confident | 85.9 | Confident | 45 Ų | 45 | 55.7 Ų | 55.7 | 24% | 0.236 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -101.8 | -9.6 | -173 | -52.9 | 177.8 | 0 | 0 | 0 | 112.4 | I508 N547 P548 S552 R553 V554 | I508-L550 HydrophobicContact CG2-CB 4.05Å; I508-L550 HydrophobicContact CG2-CD1 3.78Å; I508-L550 HydrophobicContact CG2-CD2 3.78Å; I508-L550 HydrophobicContact CG2-CG 4.05Å; N547-L550 HydrophobicContact CB-CB 4.18Å; N547-L550 HydrophobicContact CB-CD1 3.51Å; N547-L550 HydrophobicContact CB-CG 3.79Å; N547-L550 PolarHBondContact O-N 3.42Å; P548-L550 PolarHBondContact O-N 2.99Å; L550-S552 PolarHBondContact O-N 3.1Å; L550-R553 WeakPolarHBondContact O-CA 3.45Å; L550-R553 VanDerWaalsContact O-CB 3.31Å; L550-R553 WeakPolarHBondContact O-CB 3.49Å; L550-R553 PolarHBondContact O-N 3.18Å; L550-V554 PolarHBondContact O-N 3.13Å |
| 551 | R | 85.7 | Confident | 86 | Confident | 61 Ų | 61 | 55.7 Ų | 55.7 | 23% | 0.23 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.5 | -52.2 | -173.7 | -69.1 | -179.3 | 176.2 | -168 | -8 | 113.2 | H544 L545 P548 R553 V554 N555 D589 | H544-R551 HydrophobicContact CB-CG 4.49Å; H544-R551 WeakPolarHBondContact O-CG 3.39Å; H544-R551 PolarHBondContact O-NE 2.92Å; H544-R551 PolarHBondContact O-NH2 3.08Å; L545-R551 PolarHBondContact O-NH2 3.15Å; P548-R551 PolarHBondContact O-N 3.32Å; R551-R553 PolarHBondContact O-N 3.04Å; R551-R553 VanDerWaalsContact O-N 3.17Å; R551-V554 WeakPolarHBondContact O-CB 3.17Å; R551-V554 PolarHBondContact O-N 3.36Å; R551-N555 WeakPolarHBondContact O-CB 3.43Å; R551-N555 PolarHBondContact O-N 3.37Å; R551-N555 PolarHBondContact O-OD1 3.13Å; R551-D589 WeakPolarHBondContact CD-OD2 3.41Å; R551-D589 IonicContact CZ-OD1 3.95Å; R551-D589 IonicContact CZ-OD2 2.67Å; R551-D589 IonicContact NE-OD2 2.8Å; R551-D589 IonicContact NH1-OD1 3.62Å; R551-D589 PolarHBondContact NH1-OD1 2.77Å; R551-D589 IonicContact NH1-OD2 3.61Å; R551-D589 PolarHBondContact NH1-OD2 3.33Å; R551-D589 IonicContact NH2-OD1 2.68Å |
| 552 | S | 82.1 | Confident | 86 | Confident | 80 Ų | 80 | 55.6 Ų | 55.6 | 56% | 0.559 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -60.5 | -27.9 | 178 | 57.4 | 0 | 0 | 0 | 0 | 113.4 | L550 R556 | L550-S552 PolarHBondContact O-N 3.1Å; S552-R556 WeakPolarHBondContact O-CB 3.35Å; S552-R556 PolarHBondContact O-N 3.44Å |
| 553 | R | 85.5 | Confident | 85.8 | Confident | 56 Ų | 56 | 57.4 Ų | 57.4 | 21% | 0.211 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71.1 | -49.9 | 172 | -162.7 | 89.5 | 83.4 | 73.4 | 8 | 111.1 | L507 I508 A509 D510 L550 R551 N555 R556 I557 | L507-R553 PolarHBondContact O-NH1 3.11Å; I508-R553 VanDerWaalsContact O-CZ 3.32Å; I508-R553 PolarHBondContact O-NH1 3.05Å; I508-R553 PolarHBondContact O-NH2 2.88Å; A509-R553 VanDerWaalsContact O-CZ 3.29Å; A509-R553 PolarHBondContact O-NH1 3.37Å; A509-R553 PolarHBondContact O-NH2 3.18Å; D510-R553 IonicContact OD1-NH2 2.83Å; D510-R553 PolarHBondContact OD1-NH2 3.3Å; L550-R553 WeakPolarHBondContact O-CA 3.45Å; L550-R553 VanDerWaalsContact O-CB 3.31Å; L550-R553 WeakPolarHBondContact O-CB 3.49Å; L550-R553 PolarHBondContact O-N 3.18Å; R551-R553 PolarHBondContact O-N 3.04Å; R551-R553 VanDerWaalsContact O-N 3.17Å; R553-N555 VanDerWaalsContact C-N 3.28Å; R553-N555 PolarHBondContact O-N 3.05Å; R553-R556 PolarHBondContact O-N 3.31Å; R553-I557 HydrophobicContact CG-CD1 3.96Å; R553-I557 WeakPolarHBondContact O-CD1 3.46Å; R553-I557 VanDerWaalsContact O-CG1 3.3Å; R553-I557 WeakPolarHBondContact O-CG1 3.47Å; R553-I557 PolarHBondContact O-N 2.7Å |
| 554 | V | 89.4 | Confident | 85.7 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -55.5 | -46.8 | 175.4 | 174.8 | 0 | 0 | 0 | 0 | 110.4 | I508 L540 W543 H544 L550 R551 R556 I557 I558 | I508-V554 HydrophobicContact CD1-CG2 3.52Å; L540-V554 HydrophobicContact CB-CG1 4.11Å; L540-V554 HydrophobicContact CD2-CG1 4.48Å; L540-V554 HydrophobicContact CD2-CG2 4.44Å; W543-V554 HydrophobicContact CB-CG2 4.46Å; H544-V554 HydrophobicContact CB-CB 4.32Å; H544-V554 HydrophobicContact CB-CG1 4.08Å; H544-V554 HydrophobicContact CB-CG2 4.32Å; L550-V554 PolarHBondContact O-N 3.13Å; R551-V554 WeakPolarHBondContact O-CB 3.17Å; R551-V554 PolarHBondContact O-N 3.36Å; V554-R556 VanDerWaalsContact C-N 3.34Å; V554-R556 PolarHBondContact O-N 3.22Å; V554-I557 PolarHBondContact O-N 2.92Å; V554-I558 HydrophobicContact CG1-CD1 3.62Å; V554-I558 HydrophobicContact CG1-CG1 4.21Å; V554-I558 PolarHBondContact O-N 3.37Å |
| 555 | N | 88 | Confident | 85.8 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.011 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.7 | -43.9 | -176.9 | -59.6 | -2.9 | 0 | 0 | 0 | 110.7 | H544 R551 R553 I557 L559 F582 L586 E594 | H544-N555 PolarHBondContact CE1-OD1 2.87Å; H544-N555 PolarHBondContact ND1-OD1 3.13Å; R551-N555 WeakPolarHBondContact O-CB 3.43Å; R551-N555 PolarHBondContact O-N 3.37Å; R551-N555 PolarHBondContact O-OD1 3.13Å; R553-N555 VanDerWaalsContact C-N 3.28Å; R553-N555 PolarHBondContact O-N 3.05Å; N555-I557 PolarHBondContact O-N 2.92Å; N555-L559 VanDerWaalsContact O-CB 3.26Å; N555-L559 WeakPolarHBondContact O-CB 3.38Å; N555-L559 WeakPolarHBondContact O-CD1 3.36Å; N555-L559 WeakPolarHBondContact O-CG 3.41Å; N555-L559 PolarHBondContact O-N 2.83Å; N555-F582 HydrophobicContact CB-CZ 4.18Å; N555-F582 WeakPolarHBondContact OD1-CE2 3.5Å; N555-F582 WeakPolarHBondContact OD1-CZ 3.25Å; N555-L586 WeakPolarHBondContact ND2-CD2 3.22Å; N555-E594 PolarHBondContact ND2-OE2 3.38Å |
| 556 | R | 86.1 | Confident | 85.8 | Confident | 144 Ų | 144 | 54 Ų | 54 | 54% | 0.543 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.9 | -38.1 | 173 | -178.9 | 172 | 173.4 | 158.4 | -1.5 | 113.3 | S552 R553 V554 L560 | S552-R556 WeakPolarHBondContact O-CB 3.35Å; S552-R556 PolarHBondContact O-N 3.44Å; R553-R556 PolarHBondContact O-N 3.31Å; V554-R556 VanDerWaalsContact C-N 3.34Å; V554-R556 PolarHBondContact O-N 3.22Å; R556-L560 VanDerWaalsContact O-CB 3.29Å; R556-L560 WeakPolarHBondContact O-CB 3.33Å; R556-L560 PolarHBondContact O-N 3.39Å |
| 557 | I | 90.2 | Very high | 85.7 | Confident | 9 Ų | 9 | 48.3 Ų | 48.3 | 5% | 0.046 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.2 | -45 | 179.8 | -68.2 | 161.1 | 0 | 0 | 0 | 110.8 | L507 I508 L523 L540 R553 V554 N555 L560 W561 | L507-I557 HydrophobicContact CB-CD1 4.31Å; L507-I557 WeakPolarHBondContact O-CD1 3.47Å; I508-I557 HydrophobicContact CG1-CD1 4.34Å; L523-I557 HydrophobicContact CD1-CG2 4.34Å; L540-I557 HydrophobicContact CD1-CG2 4.11Å; L540-I557 HydrophobicContact CD2-CG2 4.34Å; R553-I557 HydrophobicContact CG-CD1 3.96Å; R553-I557 WeakPolarHBondContact O-CD1 3.46Å; R553-I557 VanDerWaalsContact O-CG1 3.3Å; R553-I557 WeakPolarHBondContact O-CG1 3.47Å; R553-I557 PolarHBondContact O-N 2.7Å; V554-I557 PolarHBondContact O-N 2.92Å; N555-I557 PolarHBondContact O-N 2.92Å; I557-L560 PolarHBondContact O-N 2.88Å; I557-W561 PolarHBondContact O-N 3.14Å |
| 558 | I | 90.1 | Very high | 85.8 | Confident | 7 Ų | 7 | 44.9 Ų | 44.9 | 4% | 0.036 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.8 | -40.8 | 178.1 | -63.8 | 175.6 | 0 | 0 | 0 | 110.6 | L540 V554 L560 W561 V562 F582 F598 | L540-I558 HydrophobicContact CB-CD1 4.36Å; L540-I558 HydrophobicContact CD1-CD1 4.46Å; L540-I558 HydrophobicContact CD1-CG1 3.97Å; V554-I558 HydrophobicContact CG1-CD1 3.62Å; V554-I558 HydrophobicContact CG1-CG1 4.21Å; V554-I558 PolarHBondContact O-N 3.37Å; I558-L560 VanDerWaalsContact C-N 3.34Å; I558-L560 PolarHBondContact O-N 3.16Å; I558-W561 PolarHBondContact O-N 3.03Å; I558-V562 HydrophobicContact CG2-CG2 4.32Å; I558-V562 WeakPolarHBondContact O-CB 3.32Å; I558-V562 WeakPolarHBondContact O-CG2 3.48Å; I558-V562 PolarHBondContact O-N 2.87Å; I558-F582 HydrophobicContact CB-CD1 4.39Å; I558-F582 HydrophobicContact CB-CE1 3.99Å; I558-F582 HydrophobicContact CB-CZ 4.26Å; I558-F582 HydrophobicContact CD1-CD1 4.24Å; I558-F582 HydrophobicContact CD1-CD2 3.75Å; I558-F582 HydrophobicContact CD1-CE1 4.22Å; I558-F582 HydrophobicContact CD1-CE2 3.76Å; I558-F582 HydrophobicContact CD1-CG 4.01Å; I558-F582 HydrophobicContact CD1-CZ 4.01Å; I558-F582 HydrophobicContact CG2-CD1 3.67Å; I558-F582 HydrophobicContact CG2-CE1 3.67Å; I558-F582 HydrophobicContact CG2-CG 4.36Å; I558-F582 HydrophobicContact CG2-CZ 4.4Å; I558-F598 HydrophobicContact CG2-CE2 3.89Å |
| 559 | L | 87.3 | Confident | 86 | Confident | 36 Ų | 36 | 40.6 Ų | 40.6 | 19% | 0.188 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57 | -44.6 | 171.4 | -80.4 | 165.2 | 0 | 0 | 0 | 112.3 | N555 H563 L597 F598 | N555-L559 VanDerWaalsContact O-CB 3.26Å; N555-L559 WeakPolarHBondContact O-CB 3.38Å; N555-L559 WeakPolarHBondContact O-CD1 3.36Å; N555-L559 WeakPolarHBondContact O-CG 3.41Å; N555-L559 PolarHBondContact O-N 2.83Å; L559-H563 VanDerWaalsContact O-CB 3.23Å; L559-H563 WeakPolarHBondContact O-CB 3.4Å; L559-H563 PolarHBondContact O-N 2.92Å; L559-L597 HydrophobicContact CD2-CB 4.35Å; L559-F598 VanDerWaalsContact CD2-CA 3.49Å; L559-F598 HydrophobicContact CD2-CB 3.9Å; L559-F598 HydrophobicContact CD2-CD2 4.09Å |
| 560 | L | 87.6 | Confident | 85.4 | Confident | 43 Ų | 43 | 32 Ų | 32 | 23% | 0.225 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.5 | -44.2 | 177.8 | -177.9 | 66.7 | 0 | 0 | 0 | 111.6 | P519 E520 L523 R556 I557 I558 H563 N564 | P519-L560 HydrophobicContact CB-CD2 4.16Å; E520-L560 HydrophobicContact CG-CD1 4.35Å; E520-L560 HydrophobicContact CG-CD2 3.99Å; L523-L560 HydrophobicContact CD1-CD2 4.25Å; L523-L560 HydrophobicContact CD1-CG 4.37Å; R556-L560 VanDerWaalsContact O-CB 3.29Å; R556-L560 WeakPolarHBondContact O-CB 3.33Å; R556-L560 PolarHBondContact O-N 3.39Å; I557-L560 PolarHBondContact O-N 2.88Å; I558-L560 VanDerWaalsContact C-N 3.34Å; I558-L560 PolarHBondContact O-N 3.16Å; L560-H563 PolarHBondContact O-N 3.28Å; L560-N564 WeakPolarHBondContact CD1-ND2 3.49Å; L560-N564 WeakPolarHBondContact O-CB 3.41Å; L560-N564 PolarHBondContact O-N 3.33Å |
| 561 | W | 90.5 | Very high | 84.5 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.9 | -52.9 | 178.7 | -166.3 | -1.7 | 0 | 0 | 0 | 111.7 | L523 Y526 P533 I536 V537 I557 I558 H563 N564 H565 D568 F569 | L523-W561 HydrophobicContact CD1-CB 3.8Å; L523-W561 HydrophobicContact CD1-CG 4.27Å; L523-W561 HydrophobicContact CD2-CB 4.08Å; L523-W561 HydrophobicContact CD2-CD2 3.54Å; L523-W561 HydrophobicContact CD2-CE3 3.69Å; L523-W561 HydrophobicContact CD2-CG 3.72Å; L523-W561 HydrophobicContact CD2-CZ3 4.3Å; L523-W561 HydrophobicContact CG-CB 4.49Å; L523-W561 HydrophobicContact CG-CG 4.45Å; Y526-W561 AromaticContact CE1-CZ2 3.8Å; Y526-W561 HydrophobicContact CE1-CZ2 3.8Å; Y526-W561 AromaticContact CZ-CZ2 3.79Å; P533-W561 HydrophobicContact CB-CH2 3.62Å; P533-W561 HydrophobicContact CB-CZ2 3.66Å; I536-W561 HydrophobicContact CB-CH2 4.07Å; I536-W561 HydrophobicContact CB-CZ3 4.08Å; I536-W561 HydrophobicContact CD1-CH2 3.88Å; I536-W561 HydrophobicContact CD1-CZ2 4.48Å; I536-W561 HydrophobicContact CG2-CH2 4.18Å; I536-W561 HydrophobicContact CG2-CZ3 3.76Å; V537-W561 HydrophobicContact CG2-CE3 4.43Å; V537-W561 HydrophobicContact CG2-CH2 3.73Å; V537-W561 HydrophobicContact CG2-CZ3 3.45Å; V537-W561 VanDerWaalsContact CG2-CZ3 3.45Å; I557-W561 PolarHBondContact O-N 3.14Å; I558-W561 PolarHBondContact O-N 3.03Å; W561-H563 VanDerWaalsContact C-N 3.28Å; W561-H563 PolarHBondContact O-N 3.38Å; W561-N564 PolarHBondContact O-N 3.43Å; W561-H565 CarbonylContact O-C 3.49Å; W561-H565 PolarHBondContact O-N 3.35Å; W561-D568 PolarHBondContact NE1-OD2 2.92Å; W561-F569 HydrophobicContact CB-CE2 4.42Å; W561-F569 HydrophobicContact CB-CZ 4.38Å; W561-F569 AromaticContact CD1-CE2 3.64Å; W561-F569 AromaticContact CD2-CE2 3.92Å; W561-F569 HydrophobicContact CD2-CE2 3.92Å; W561-F569 AromaticContact CD2-CZ 3.53Å; W561-F569 HydrophobicContact CD2-CZ 3.53Å; W561-F569 AromaticContact CE2-CE2 3.94Å; W561-F569 AromaticContact CE2-CZ 3.77Å; W561-F569 AromaticContact CE3-CZ 3.92Å; W561-F569 HydrophobicContact CE3-CZ 3.92Å; W561-F569 AromaticContact CG-CE2 3.74Å; W561-F569 HydrophobicContact CG-CE2 3.74Å; W561-F569 AromaticContact CG-CZ 3.75Å; W561-F569 HydrophobicContact CG-CZ 3.75Å; W561-F569 HydrophobicContact CZ2-CZ 4.33Å; W561-F569 HydrophobicContact CZ3-CZ 4.49Å; W561-F569 AromaticContact NE1-CE2 3.75Å |
| 562 | V | 87.8 | Confident | 84 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.7 | -34.2 | -179.8 | 170.7 | 0 | 0 | 0 | 0 | 111.8 | I558 F566 F569 I579 F598 A601 | I558-V562 HydrophobicContact CG2-CG2 4.32Å; I558-V562 WeakPolarHBondContact O-CB 3.32Å; I558-V562 WeakPolarHBondContact O-CG2 3.48Å; I558-V562 PolarHBondContact O-N 2.87Å; V562-F566 HydrophobicContact CG1-CD2 4.01Å; V562-F566 HydrophobicContact CG1-CE2 4.39Å; V562-F569 HydrophobicContact CG2-CD2 4.27Å; V562-F569 HydrophobicContact CG2-CE1 4.37Å; V562-F569 HydrophobicContact CG2-CE2 3.78Å; V562-F569 HydrophobicContact CG2-CZ 3.83Å; V562-I579 HydrophobicContact CG2-CD1 3.79Å; V562-I579 HydrophobicContact CG2-CG1 4.34Å; V562-F598 HydrophobicContact CB-CE2 4.43Å; V562-F598 HydrophobicContact CG1-CE2 4.43Å; V562-F598 HydrophobicContact CG2-CE2 3.96Å; V562-A601 HydrophobicContact CG1-CB 4.37Å |
| 563 | H | 83.7 | Confident | 83.6 | Confident | 80 Ų | 80 | 33.7 Ų | 33.7 | 37% | 0.37 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -72.5 | -41.5 | 175.4 | -171.6 | 74.5 | 0 | 0 | 0 | 113 | L559 L560 W561 K605 | L559-H563 VanDerWaalsContact O-CB 3.23Å; L559-H563 WeakPolarHBondContact O-CB 3.4Å; L559-H563 PolarHBondContact O-N 2.92Å; L560-H563 PolarHBondContact O-N 3.28Å; W561-H563 VanDerWaalsContact C-N 3.28Å; W561-H563 PolarHBondContact O-N 3.38Å; H563-K605 WeakPolarHBondContact O-CE 3.3Å; H563-K605 PolarHBondContact O-NZ 2.86Å |
| 564 | N | 85.6 | Confident | 83.3 | Confident | 53 Ų | 53 | 34.7 Ų | 34.7 | 28% | 0.283 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -85.2 | -44.5 | -173.8 | -71.6 | -4.7 | 0 | 0 | 0 | 113.2 | L560 W561 | L560-N564 WeakPolarHBondContact CD1-ND2 3.49Å; L560-N564 WeakPolarHBondContact O-CB 3.41Å; L560-N564 PolarHBondContact O-N 3.33Å; W561-N564 PolarHBondContact O-N 3.43Å |
| 565 | H | 87.3 | Confident | 83 | Confident | 7 Ų | 7 | 34.8 Ų | 34.8 | 3% | 0.032 | 17% | 0.165 | C | C | . | . | trans | -129.3 | 53.5 | -170 | -44.8 | -65.5 | 0 | 0 | 0 | 111.1 | W561 N567 D568 S1082 T1083 | W561-H565 CarbonylContact O-C 3.49Å; W561-H565 PolarHBondContact O-N 3.35Å; H565-N567 PolarHBondContact O-N 3.09Å; H565-N567 VanDerWaalsContact O-N 3.08Å; H565-D568 WeakPolarHBondContact O-CB 3.23Å; H565-D568 PolarHBondContact O-N 2.92Å; H565-S1082 PolarHBondContact CE1-OG 3.12Å; H565-S1082 PolarHBondContact ND1-OG 3.36Å; H565-T1083 HydrophobicContact CB-CG2 4.1Å; H565-T1083 WeakPolarHBondContact ND1-CG2 3.23Å | ||
| 566 | F | 84 | Confident | 82.7 | Confident | 6 Ų | 6 | 34.9 Ų | 34.9 | 3% | 0.026 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -53.4 | -31.3 | 179.6 | -172.1 | -100.2 | 0 | 0 | 0 | 113.4 | V562 D568 F569 E570 K605 P831 | V562-F566 HydrophobicContact CG1-CD2 4.01Å; V562-F566 HydrophobicContact CG1-CE2 4.39Å; F566-D568 PolarHBondContact O-N 3.46Å; F566-D568 VanDerWaalsContact O-N 3.14Å; F566-F569 WeakPolarHBondContact O-CB 3.39Å; F566-F569 PolarHBondContact O-N 3.22Å; F566-E570 HydrophobicContact CD1-CB 4.04Å; F566-E570 HydrophobicContact CD1-CG 4.48Å; F566-E570 HydrophobicContact CE1-CB 3.87Å; F566-E570 HydrophobicContact CE1-CG 4.05Å; F566-E570 PolarHBondContact O-N 3.33Å; F566-K605 HydrophobicContact CB-CB 3.72Å; F566-K605 HydrophobicContact CB-CG 4.26Å; F566-K605 HydrophobicContact CD1-CB 4.19Å; F566-K605 HydrophobicContact CD2-CB 4.06Å; F566-K605 HydrophobicContact CG-CB 3.68Å; F566-P831 HydrophobicContact CE2-CG 4.26Å; F566-P831 HydrophobicContact CZ-CB 4.32Å; F566-P831 HydrophobicContact CZ-CG 3.79Å |
| 567 | N | 81.1 | Confident | 82.5 | Confident | 23 Ų | 23 | 31.4 Ų | 31.4 | 12% | 0.123 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -64.4 | -15.2 | 179.7 | -40.4 | -85.3 | 0 | 0 | 0 | 114 | H565 F569 R607 Q1081 T1118 | H565-N567 PolarHBondContact O-N 3.09Å; H565-N567 VanDerWaalsContact O-N 3.08Å; N567-F569 PolarHBondContact O-N 2.92Å; N567-R607 PolarHBondContact OD1-NH2 3.4Å; N567-Q1081 VanDerWaalsContact ND2-CD 3.26Å; N567-Q1081 PolarHBondContact ND2-NE2 2.63Å; N567-Q1081 PolarHBondContact ND2-OE1 3.49Å; N567-Q1081 PolarHBondContact OD1-NE2 3.01Å; N567-Q1081 PolarHBondContact OD1-OE1 3.14Å; N567-T1118 HydrophobicContact CB-CG2 4.24Å |
| 568 | D | 84.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -70.2 | -25.8 | 172.9 | -64.8 | 3.6 | 0 | 0 | 0 | 111.6 | Y526 R527 W561 H565 F566 Y1116 | Y526-D568 VanDerWaalsContact CE1-OD2 3.27Å; Y526-D568 WeakPolarHBondContact CE1-OD2 3.22Å; Y526-D568 PolarHBondContact OH-OD2 3.11Å; R527-D568 IonicContact CZ-OD1 2.74Å; R527-D568 IonicContact NH2-OD1 3.69Å; R527-D568 PolarHBondContact NH2-OD1 3.48Å; R527-D568 IonicContact NH2-OD2 3.33Å; R527-D568 PolarHBondContact NH2-OD2 3.14Å; W561-D568 PolarHBondContact NE1-OD2 2.92Å; H565-D568 WeakPolarHBondContact O-CB 3.23Å; H565-D568 PolarHBondContact O-N 2.92Å; F566-D568 PolarHBondContact O-N 3.46Å; F566-D568 VanDerWaalsContact O-N 3.14Å; D568-Y1116 HydrophobicContact CB-CE1 4.43Å; D568-Y1116 PolarHBondContact O-OH 3.33Å |
| 569 | F | 83.9 | Confident | 82 | Confident | 3 Ų | 3 | 31.4 Ų | 31.4 | 1% | 0.013 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -34.4 | 177.2 | -52.5 | -94.2 | 0 | 0 | 0 | 112 | W561 V562 F566 N567 D571 N572 M575 M576 I579 | W561-F569 HydrophobicContact CB-CE2 4.42Å; W561-F569 HydrophobicContact CB-CZ 4.38Å; W561-F569 AromaticContact CD1-CE2 3.64Å; W561-F569 AromaticContact CD2-CE2 3.92Å; W561-F569 HydrophobicContact CD2-CE2 3.92Å; W561-F569 AromaticContact CD2-CZ 3.53Å; W561-F569 HydrophobicContact CD2-CZ 3.53Å; W561-F569 AromaticContact CE2-CE2 3.94Å; W561-F569 AromaticContact CE2-CZ 3.77Å; W561-F569 AromaticContact CE3-CZ 3.92Å; W561-F569 HydrophobicContact CE3-CZ 3.92Å; W561-F569 AromaticContact CG-CE2 3.74Å; W561-F569 HydrophobicContact CG-CE2 3.74Å; W561-F569 AromaticContact CG-CZ 3.75Å; W561-F569 HydrophobicContact CG-CZ 3.75Å; W561-F569 HydrophobicContact CZ2-CZ 4.33Å; W561-F569 HydrophobicContact CZ3-CZ 4.49Å; W561-F569 AromaticContact NE1-CE2 3.75Å; V562-F569 HydrophobicContact CG2-CD2 4.27Å; V562-F569 HydrophobicContact CG2-CE1 4.37Å; V562-F569 HydrophobicContact CG2-CE2 3.78Å; V562-F569 HydrophobicContact CG2-CZ 3.83Å; F566-F569 WeakPolarHBondContact O-CB 3.39Å; F566-F569 PolarHBondContact O-N 3.22Å; N567-F569 PolarHBondContact O-N 2.92Å; F569-D571 PolarHBondContact O-N 2.82Å; F569-N572 PolarHBondContact O-N 2.96Å; F569-M575 HydrophobicContact CD1-CB 4.24Å; F569-M575 HydrophobicContact CD1-CG 3.6Å; F569-M575 HydrophobicContact CE1-CG 4.01Å; F569-M575 HydrophobicContact CG-CG 4.34Å; F569-M576 HydrophobicContact CB-SD 4.32Å; F569-M576 WeakPolarHBondContact O-CG 3.45Å; F569-I579 HydrophobicContact CB-CD1 3.82Å; F569-I579 HydrophobicContact CD1-CD1 3.27Å; F569-I579 HydrophobicContact CD1-CG1 3.58Å; F569-I579 HydrophobicContact CD2-CD1 4.23Å; F569-I579 HydrophobicContact CE1-CD1 3.83Å; F569-I579 HydrophobicContact CE1-CG1 3.81Å; F569-I579 HydrophobicContact CG-CD1 3.52Å; F569-I579 HydrophobicContact CG-CG1 4.33Å; F569-I579 HydrophobicContact CZ-CD1 4.5Å |
| 570 | E | 70 | Confident | 81.8 | Confident | 17 Ų | 17 | 31.6 Ų | 31.6 | 8% | 0.079 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 136 | 177.1 | -158.2 | 167.3 | -164.8 | 0 | 0 | 110.4 | F566 N572 R607 R609 | F566-E570 HydrophobicContact CD1-CB 4.04Å; F566-E570 HydrophobicContact CD1-CG 4.48Å; F566-E570 HydrophobicContact CE1-CB 3.87Å; F566-E570 HydrophobicContact CE1-CG 4.05Å; F566-E570 PolarHBondContact O-N 3.33Å; E570-N572 PolarHBondContact O-N 3.19Å; E570-R607 WeakPolarHBondContact OE1-CD 3.48Å; E570-R607 VanDerWaalsContact OE1-CG 3.3Å; E570-R607 WeakPolarHBondContact OE1-CG 3.42Å; E570-R607 IonicContact OE1-NE 3.92Å; E570-R607 WeakPolarHBondContact OE2-CD 3.41Å; E570-R607 IonicContact OE2-CZ 2.77Å; E570-R607 IonicContact OE2-NE 2.71Å; E570-R607 PolarHBondContact OE2-NE 3.26Å; E570-R607 IonicContact OE2-NH2 2.96Å; E570-R609 VanDerWaalsContact CD-NH2 3.34Å; E570-R609 IonicContact OE1-CZ 3.64Å; E570-R609 IonicContact OE1-NE 2.74Å; E570-R609 IonicContact OE1-NH2 3.83Å; E570-R609 PolarHBondContact OE1-NH2 2.78Å |
| 571 | D | 64.8 | Low | 81.8 | Confident | 111 Ų | 111 | 34.3 Ų | 34.3 | 59% | 0.594 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 1 | -178.8 | -53 | -36.9 | 0 | 0 | 0 | 117.1 | F569 R609 | F569-D571 PolarHBondContact O-N 2.82Å; D571-R609 IonicContact OD1-CZ 3.61Å; D571-R609 VanDerWaalsContact OD1-CZ 3.32Å; D571-R609 IonicContact OD1-NH1 3.52Å; D571-R609 PolarHBondContact OD1-NH1 3.1Å; D571-R609 IonicContact OD1-NH2 2.71Å; D571-R609 PolarHBondContact OD1-NH2 3.33Å; D571-R609 IonicContact OD2-NH2 3.89Å |
| 572 | N | 74.9 | Confident | 81.6 | Confident | 36 Ų | 36 | 34.4 Ų | 34.4 | 19% | 0.193 | 17% | 0.166 | C | C | . | . | trans | -101.7 | 105.3 | 168.5 | -175 | -18.7 | 0 | 0 | 0 | 112.6 | F569 E570 E574 M575 M576 Y1116 | F569-N572 PolarHBondContact O-N 2.96Å; E570-N572 PolarHBondContact O-N 3.19Å; N572-E574 PolarHBondContact O-N 3.13Å; N572-E574 PolarHBondContact OD1-N 3.17Å; N572-E574 VanDerWaalsContact OD1-N 3.14Å; N572-M575 HydrophobicContact CB-CB 4.05Å; N572-M575 PolarHBondContact O-N 2.89Å; N572-M575 VanDerWaalsContact O-N 3.16Å; N572-M575 PolarHBondContact OD1-N 3.09Å; N572-M576 PolarHBondContact O-N 2.82Å; N572-Y1116 VanDerWaalsContact CB-OH 3.23Å; N572-Y1116 WeakPolarHBondContact CB-OH 3.46Å; N572-Y1116 WeakPolarHBondContact ND2-CE2 2.99Å; N572-Y1116 PolarHBondContact ND2-OH 2.93Å | ||
| 573 | H | 74.4 | Confident | 81.4 | Confident | 74 Ų | 74 | 34.4 Ų | 34.4 | 34% | 0.343 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -56.5 | -42.6 | -177.4 | -163.6 | -90.1 | 0 | 0 | 0 | 114.5 | M575 K577 Y835 | H573-M575 VanDerWaalsContact C-N 3.34Å; H573-K577 VanDerWaalsContact CE1-CE 3.42Å; H573-K577 WeakPolarHBondContact CE1-CE 3.2Å; H573-K577 PolarHBondContact O-N 3.21Å; H573-K577 VanDerWaalsContact O-N 3.08Å; H573-Y835 AromaticContact CD2-CD1 3.95Å; H573-Y835 AromaticContact CD2-CE1 3.56Å |
| 574 | E | 78 | Confident | 81.5 | Confident | 76 Ų | 76 | 34 Ų | 34 | 36% | 0.355 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -69.3 | -35.3 | -179.9 | -71.8 | -68.8 | 94.2 | 0 | 0 | 111.3 | R534 N572 K577 C578 | R534-E574 IonicContact CZ-OE2 2.63Å; R534-E574 IonicContact NH1-OE2 2.71Å; R534-E574 PolarHBondContact NH1-OE2 3.3Å; R534-E574 IonicContact NH2-OE2 2.57Å; R534-E574 PolarHBondContact NH2-OE2 2.93Å; N572-E574 PolarHBondContact O-N 3.13Å; N572-E574 PolarHBondContact OD1-N 3.17Å; N572-E574 VanDerWaalsContact OD1-N 3.14Å; E574-K577 PolarHBondContact O-N 3.07Å; E574-C578 PolarHBondContact O-N 3.36Å; E574-C578 VanDerWaalsContact O-N 3.12Å; E574-C578 PolarHBondContact O-SG 3.21Å; E574-C578 VanDerWaalsContact O-SG 3.36Å |
| 575 | M | 83.7 | Confident | 81.4 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -75.9 | -34.1 | -179.4 | -142 | 52 | 37.7 | 0 | 0 | 111.9 | P533 R534 V537 F569 N572 H573 C578 I579 | P533-M575 HydrophobicContact CB-CE 4.45Å; P533-M575 HydrophobicContact CB-SD 4.02Å; P533-M575 HydrophobicContact CG-CE 3.87Å; P533-M575 HydrophobicContact CG-CG 4.19Å; P533-M575 HydrophobicContact CG-SD 3.89Å; R534-M575 HydrophobicContact CB-CE 4.03Å; V537-M575 HydrophobicContact CB-SD 4.48Å; V537-M575 HydrophobicContact CG2-SD 3.76Å; F569-M575 HydrophobicContact CD1-CB 4.24Å; F569-M575 HydrophobicContact CD1-CG 3.6Å; F569-M575 HydrophobicContact CE1-CG 4.01Å; F569-M575 HydrophobicContact CG-CG 4.34Å; N572-M575 HydrophobicContact CB-CB 4.05Å; N572-M575 PolarHBondContact O-N 2.89Å; N572-M575 VanDerWaalsContact O-N 3.16Å; N572-M575 PolarHBondContact OD1-N 3.09Å; H573-M575 VanDerWaalsContact C-N 3.34Å; M575-C578 WeakPolarHBondContact O-CB 3.46Å; M575-C578 PolarHBondContact O-N 2.84Å; M575-I579 PolarHBondContact O-N 2.74Å |
| 576 | M | 82.3 | Confident | 81.2 | Confident | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.025 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.1 | -39.6 | 167.9 | -80.6 | -58 | -42.9 | 0 | 0 | 112.7 | F569 N572 C578 I579 E580 P831 Y835 | F569-M576 HydrophobicContact CB-SD 4.32Å; F569-M576 WeakPolarHBondContact O-CG 3.45Å; N572-M576 PolarHBondContact O-N 2.82Å; M576-C578 VanDerWaalsContact C-N 3.3Å; M576-C578 PolarHBondContact O-N 2.88Å; M576-I579 HydrophobicContact CE-CB 4.46Å; M576-I579 HydrophobicContact CE-CG2 3.85Å; M576-I579 WeakPolarHBondContact O-CB 3.34Å; M576-I579 PolarHBondContact O-N 3.02Å; M576-I579 VanDerWaalsContact O-N 3.17Å; M576-I579 HydrophobicContact SD-CD1 4.35Å; M576-E580 PolarHBondContact O-N 3.33Å; M576-P831 HydrophobicContact CE-CB 3.77Å; M576-P831 HydrophobicContact CE-CG 4.25Å; M576-P831 HydrophobicContact SD-CB 4.24Å; M576-Y835 HydrophobicContact CB-CD2 3.96Å; M576-Y835 HydrophobicContact CB-CE2 4.06Å; M576-Y835 HydrophobicContact CE-CD2 4.08Å; M576-Y835 HydrophobicContact CG-CD2 3.99Å; M576-Y835 HydrophobicContact CG-CE2 3.72Å |
| 577 | K | 82.1 | Confident | 80.9 | Confident | 71 Ų | 71 | 33.8 Ų | 33.8 | 31% | 0.309 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -63.4 | -34.4 | 173 | -77.7 | -172.3 | 167.7 | -173.1 | 0 | 112.9 | H573 E574 E580 K581 D839 | H573-K577 VanDerWaalsContact CE1-CE 3.42Å; H573-K577 WeakPolarHBondContact CE1-CE 3.2Å; H573-K577 PolarHBondContact O-N 3.21Å; H573-K577 VanDerWaalsContact O-N 3.08Å; E574-K577 PolarHBondContact O-N 3.07Å; K577-E580 PolarHBondContact O-N 2.94Å; K577-K581 WeakPolarHBondContact O-CB 3.34Å; K577-K581 PolarHBondContact O-N 2.88Å; K577-D839 WeakPolarHBondContact CE-OD2 3.47Å; K577-D839 IonicContact NZ-OD1 3.2Å; K577-D839 IonicContact NZ-OD2 3.78Å; K577-D839 PolarHBondContact NZ-OD2 2.86Å |
| 578 | C | 83.9 | Confident | 80.8 | Confident | 11 Ų | 11 | 37.2 Ų | 37.2 | 7% | 0.074 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.7 | -37.3 | 172.1 | -67.2 | 0 | 0 | 0 | 0 | 112.9 | V537 E574 M575 M576 F582 | V537-C578 HydrophobicContact CB-CB 4.44Å; V537-C578 HydrophobicContact CG1-CB 3.67Å; E574-C578 PolarHBondContact O-N 3.36Å; E574-C578 VanDerWaalsContact O-N 3.12Å; E574-C578 PolarHBondContact O-SG 3.21Å; E574-C578 VanDerWaalsContact O-SG 3.36Å; M575-C578 WeakPolarHBondContact O-CB 3.46Å; M575-C578 PolarHBondContact O-N 2.84Å; M576-C578 VanDerWaalsContact C-N 3.3Å; M576-C578 PolarHBondContact O-N 2.88Å; C578-F582 PolarHBondContact O-N 2.96Å; C578-F582 VanDerWaalsContact O-N 3.11Å |
| 579 | I | 85 | Confident | 80.4 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61 | -43.3 | 170.6 | -91.3 | -175.9 | 0 | 0 | 0 | 111.5 | V562 F569 M575 M576 F582 D583 F598 V832 | V562-I579 HydrophobicContact CG2-CD1 3.79Å; V562-I579 HydrophobicContact CG2-CG1 4.34Å; F569-I579 HydrophobicContact CB-CD1 3.82Å; F569-I579 HydrophobicContact CD1-CD1 3.27Å; F569-I579 HydrophobicContact CD1-CG1 3.58Å; F569-I579 HydrophobicContact CD2-CD1 4.23Å; F569-I579 HydrophobicContact CE1-CD1 3.83Å; F569-I579 HydrophobicContact CE1-CG1 3.81Å; F569-I579 HydrophobicContact CG-CD1 3.52Å; F569-I579 HydrophobicContact CG-CG1 4.33Å; F569-I579 HydrophobicContact CZ-CD1 4.5Å; M575-I579 PolarHBondContact O-N 2.74Å; M576-I579 HydrophobicContact CE-CB 4.46Å; M576-I579 HydrophobicContact CE-CG2 3.85Å; M576-I579 WeakPolarHBondContact O-CB 3.34Å; M576-I579 PolarHBondContact O-N 3.02Å; M576-I579 VanDerWaalsContact O-N 3.17Å; M576-I579 HydrophobicContact SD-CD1 4.35Å; I579-F582 WeakPolarHBondContact O-CB 3.45Å; I579-F582 PolarHBondContact O-N 3.09Å; I579-F582 VanDerWaalsContact O-N 3.17Å; I579-D583 PolarHBondContact O-N 2.68Å; I579-F598 HydrophobicContact CB-CZ 4.42Å; I579-F598 HydrophobicContact CG1-CZ 4.13Å; I579-F598 HydrophobicContact CG2-CE1 4.25Å; I579-F598 HydrophobicContact CG2-CZ 3.99Å; I579-V832 HydrophobicContact CG2-CG2 3.62Å |
| 580 | E | 83.8 | Confident | 79.6 | Confident | 40 Ų | 40 | 42.4 Ų | 42.4 | 19% | 0.187 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.8 | -45.4 | -179.8 | -163.8 | -146.4 | 134 | 0 | 0 | 111.6 | M576 K577 F582 D583 N584 V832 Q836 | M576-E580 PolarHBondContact O-N 3.33Å; K577-E580 PolarHBondContact O-N 2.94Å; E580-F582 PolarHBondContact O-N 2.74Å; E580-D583 PolarHBondContact O-N 2.82Å; E580-N584 WeakPolarHBondContact O-CB 3.3Å; E580-N584 PolarHBondContact O-N 2.84Å; E580-N584 PolarHBondContact O-ND2 2.74Å; E580-N584 PolarHBondContact OE1-ND2 2.81Å; E580-V832 HydrophobicContact CB-CG1 4.04Å; E580-V832 HydrophobicContact CG-CG1 3.74Å; E580-Q836 VanDerWaalsContact CD-NE2 3.29Å; E580-Q836 HydrophobicContact CG-CG 3.79Å; E580-Q836 VanDerWaalsContact CG-NE2 3.34Å; E580-Q836 WeakPolarHBondContact OE1-CG 3.37Å; E580-Q836 PolarHBondContact OE1-NE2 2.76Å |
| 581 | K | 86 | Confident | 79.9 | Confident | 100 Ų | 100 | 43.6 Ų | 43.6 | 44% | 0.435 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -55.7 | -34.8 | 172.1 | -175.8 | 174.2 | 172.9 | -172.7 | 0 | 112 | L541 K577 M585 | L541-K581 HydrophobicContact CD1-CD 3.96Å; L541-K581 HydrophobicContact CD1-CG 4.29Å; K577-K581 WeakPolarHBondContact O-CB 3.34Å; K577-K581 PolarHBondContact O-N 2.88Å; K581-M585 HydrophobicContact CG-SD 4.19Å; K581-M585 VanDerWaalsContact O-CG 3.26Å; K581-M585 WeakPolarHBondContact O-CG 3.41Å; K581-M585 PolarHBondContact O-N 2.66Å |
| 582 | F | 87.1 | Confident | 80.2 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 1% | 0.013 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -72.4 | -43.9 | 175.7 | -174.5 | -117.1 | 0 | 0 | 0 | 113.5 | L541 H544 N555 I558 C578 I579 E580 N584 M585 L586 F598 | L541-F582 HydrophobicContact CD2-CB 3.98Å; L541-F582 HydrophobicContact CD2-CD2 3.8Å; L541-F582 HydrophobicContact CD2-CG 4.3Å; H544-F582 AromaticContact ND1-CE2 3.93Å; N555-F582 HydrophobicContact CB-CZ 4.18Å; N555-F582 WeakPolarHBondContact OD1-CE2 3.5Å; N555-F582 WeakPolarHBondContact OD1-CZ 3.25Å; I558-F582 HydrophobicContact CB-CD1 4.39Å; I558-F582 HydrophobicContact CB-CE1 3.99Å; I558-F582 HydrophobicContact CB-CZ 4.26Å; I558-F582 HydrophobicContact CD1-CD1 4.24Å; I558-F582 HydrophobicContact CD1-CD2 3.75Å; I558-F582 HydrophobicContact CD1-CE1 4.22Å; I558-F582 HydrophobicContact CD1-CE2 3.76Å; I558-F582 HydrophobicContact CD1-CG 4.01Å; I558-F582 HydrophobicContact CD1-CZ 4.01Å; I558-F582 HydrophobicContact CG2-CD1 3.67Å; I558-F582 HydrophobicContact CG2-CE1 3.67Å; I558-F582 HydrophobicContact CG2-CG 4.36Å; I558-F582 HydrophobicContact CG2-CZ 4.4Å; C578-F582 PolarHBondContact O-N 2.96Å; C578-F582 VanDerWaalsContact O-N 3.11Å; I579-F582 WeakPolarHBondContact O-CB 3.45Å; I579-F582 PolarHBondContact O-N 3.09Å; I579-F582 VanDerWaalsContact O-N 3.17Å; E580-F582 PolarHBondContact O-N 2.74Å; F582-N584 VanDerWaalsContact C-N 3.28Å; F582-N584 PolarHBondContact O-N 2.7Å; F582-M585 PolarHBondContact O-N 3.08Å; F582-M585 VanDerWaalsContact O-N 3.1Å; F582-L586 HydrophobicContact CD1-CD1 4.11Å; F582-L586 HydrophobicContact CD1-CG 4.47Å; F582-L586 HydrophobicContact CE1-CD1 3.57Å; F582-L586 HydrophobicContact CE1-CD2 4.42Å; F582-L586 HydrophobicContact CE1-CG 4.03Å; F582-L586 HydrophobicContact CE2-CD2 4.15Å; F582-L586 HydrophobicContact CE2-CG 4.16Å; F582-L586 HydrophobicContact CZ-CD1 3.82Å; F582-L586 HydrophobicContact CZ-CD2 3.8Å; F582-L586 HydrophobicContact CZ-CG 3.83Å; F582-L586 WeakPolarHBondContact O-CG 3.49Å; F582-L586 PolarHBondContact O-N 2.95Å; F582-F598 HydrophobicContact CD1-CD1 4.49Å; F582-F598 HydrophobicContact CD1-CD2 4.1Å; F582-F598 HydrophobicContact CD1-CE1 4.17Å; F582-F598 AromaticContact CD1-CE2 3.75Å; F582-F598 HydrophobicContact CD1-CE2 3.75Å; F582-F598 HydrophobicContact CD1-CG 4.46Å; F582-F598 AromaticContact CD1-CZ 3.78Å; F582-F598 HydrophobicContact CD1-CZ 3.78Å; F582-F598 AromaticContact CE1-CD2 3.95Å; F582-F598 HydrophobicContact CE1-CD2 3.95Å; F582-F598 HydrophobicContact CE1-CE2 4Å; F582-F598 HydrophobicContact CE1-CG 4.36Å; F582-F598 HydrophobicContact CE1-CZ 4.45Å |
| 583 | D | 84.4 | Confident | 80.2 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.8 | -37.8 | 174.4 | -173.5 | 78 | 0 | 0 | 0 | 111.6 | I579 E580 L586 S587 R595 F598 R599 V832 | I579-D583 PolarHBondContact O-N 2.68Å; E580-D583 PolarHBondContact O-N 2.82Å; D583-L586 PolarHBondContact O-N 3.04Å; D583-S587 PolarHBondContact O-N 2.69Å; D583-S587 PolarHBondContact O-OG 2.8Å; D583-R595 WeakPolarHBondContact OD1-CG 3.27Å; D583-R595 IonicContact OD1-NE 3.32Å; D583-R595 IonicContact OD2-NE 2.63Å; D583-F598 HydrophobicContact CB-CD1 4.27Å; D583-F598 HydrophobicContact CB-CE1 4.06Å; D583-R599 IonicContact OD1-CZ 2.78Å; D583-R599 IonicContact OD1-NE 3.76Å; D583-R599 PolarHBondContact OD1-NE 3.29Å; D583-R599 IonicContact OD1-NH2 3.47Å; D583-R599 IonicContact OD2-CZ 3.95Å; D583-R599 IonicContact OD2-NE 2.85Å; D583-R599 PolarHBondContact OD2-NE 2.78Å; D583-R599 IonicContact OD2-NH2 2.93Å; D583-R599 PolarHBondContact OD2-NH2 2.94Å; D583-V832 HydrophobicContact CB-CG1 4.38Å |
| 584 | N | 84.4 | Confident | 80.3 | Confident | 71 Ų | 71 | 41.1 Ų | 41.1 | 38% | 0.38 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | 172.2 | -70.6 | -33 | 0 | 0 | 0 | 111.9 | E580 F582 S587 S588 | E580-N584 WeakPolarHBondContact O-CB 3.3Å; E580-N584 PolarHBondContact O-N 2.84Å; E580-N584 PolarHBondContact O-ND2 2.74Å; E580-N584 PolarHBondContact OE1-ND2 2.81Å; F582-N584 VanDerWaalsContact C-N 3.28Å; F582-N584 PolarHBondContact O-N 2.7Å; N584-S587 WeakPolarHBondContact O-CB 3.38Å; N584-S587 PolarHBondContact O-N 2.83Å; N584-S588 PolarHBondContact O-N 2.93Å; N584-S588 VanDerWaalsContact O-N 3.13Å; N584-S588 PolarHBondContact O-OG 3.24Å |
| 585 | M | 83.3 | Confident | 80.4 | Confident | 16 Ų | 16 | 39.2 Ų | 39.2 | 8% | 0.079 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.1 | -42.7 | 175.2 | -75.3 | 164.7 | 51.3 | 0 | 0 | 112.6 | L541 H544 L545 K581 F582 S587 S588 D589 | L541-M585 HydrophobicContact CB-CE 4.43Å; L541-M585 HydrophobicContact CD2-CE 3.91Å; L541-M585 HydrophobicContact CD2-SD 3.94Å; H544-M585 HydrophobicContact CB-CE 3.88Å; H544-M585 WeakPolarHBondContact CD2-CE 3.46Å; L545-M585 HydrophobicContact CD2-CE 3.86Å; L545-M585 HydrophobicContact CD2-CG 4.4Å; L545-M585 HydrophobicContact CD2-SD 4.14Å; L545-M585 HydrophobicContact CG-CE 3.75Å; L545-M585 HydrophobicContact CG-SD 4.29Å; K581-M585 HydrophobicContact CG-SD 4.19Å; K581-M585 VanDerWaalsContact O-CG 3.26Å; K581-M585 WeakPolarHBondContact O-CG 3.41Å; K581-M585 PolarHBondContact O-N 2.66Å; F582-M585 PolarHBondContact O-N 3.08Å; F582-M585 VanDerWaalsContact O-N 3.1Å; M585-S587 PolarHBondContact O-N 3.25Å; M585-S588 PolarHBondContact O-N 3.43Å; M585-S588 PolarHBondContact O-OG 3.13Å; M585-D589 WeakPolarHBondContact O-CB 3.46Å; M585-D589 PolarHBondContact O-N 2.87Å; M585-D589 VanDerWaalsContact O-N 3.08Å |
| 586 | L | 83.2 | Confident | 80 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.8 | -27.1 | 171.2 | -66.7 | 179 | 0 | 0 | 0 | 112.7 | N555 F582 D583 R595 F598 | N555-L586 WeakPolarHBondContact ND2-CD2 3.22Å; F582-L586 HydrophobicContact CD1-CD1 4.11Å; F582-L586 HydrophobicContact CD1-CG 4.47Å; F582-L586 HydrophobicContact CE1-CD1 3.57Å; F582-L586 HydrophobicContact CE1-CD2 4.42Å; F582-L586 HydrophobicContact CE1-CG 4.03Å; F582-L586 HydrophobicContact CE2-CD2 4.15Å; F582-L586 HydrophobicContact CE2-CG 4.16Å; F582-L586 HydrophobicContact CZ-CD1 3.82Å; F582-L586 HydrophobicContact CZ-CD2 3.8Å; F582-L586 HydrophobicContact CZ-CG 3.83Å; F582-L586 WeakPolarHBondContact O-CG 3.49Å; F582-L586 PolarHBondContact O-N 2.95Å; D583-L586 PolarHBondContact O-N 3.04Å; L586-R595 HydrophobicContact CB-CB 4.04Å; L586-R595 HydrophobicContact CB-CG 4.17Å; L586-R595 HydrophobicContact CD1-CB 4.39Å; L586-F598 HydrophobicContact CD1-CB 4.03Å; L586-F598 HydrophobicContact CD1-CD1 4.39Å; L586-F598 HydrophobicContact CD1-CG 4.2Å |
| 587 | S | 79 | Confident | 79.8 | Confident | 44 Ų | 44 | 48.4 Ų | 48.4 | 31% | 0.308 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -68.1 | -47.7 | 173.6 | -49.5 | 0 | 0 | 0 | 0 | 111.3 | D583 N584 M585 D589 R595 | D583-S587 PolarHBondContact O-N 2.69Å; D583-S587 PolarHBondContact O-OG 2.8Å; N584-S587 WeakPolarHBondContact O-CB 3.38Å; N584-S587 PolarHBondContact O-N 2.83Å; M585-S587 PolarHBondContact O-N 3.25Å; S587-D589 VanDerWaalsContact C-N 3.31Å; S587-D589 PolarHBondContact O-N 3Å; S587-R595 PolarHBondContact OG-NE 3.47Å; S587-R595 PolarHBondContact OG-NH2 2.94Å |
| 588 | S | 78.3 | Confident | 79.8 | Confident | 94 Ų | 94 | 45 Ų | 45 | 66% | 0.657 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -70.1 | -25.2 | 180 | 49.6 | 0 | 0 | 0 | 0 | 114.2 | N584 M585 G590 | N584-S588 PolarHBondContact O-N 2.93Å; N584-S588 VanDerWaalsContact O-N 3.13Å; N584-S588 PolarHBondContact O-OG 3.24Å; M585-S588 PolarHBondContact O-N 3.43Å; M585-S588 PolarHBondContact O-OG 3.13Å; S588-G590 VanDerWaalsContact C-N 3.35Å |
| 589 | D | 76.2 | Confident | 79.6 | Confident | 49 Ų | 49 | 45.8 Ų | 45.8 | 26% | 0.262 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -7 | -176.7 | -103 | 36.4 | 0 | 0 | 0 | 114.5 | H544 R551 M585 S587 T591 | H544-D589 IonicContact NE2-OD2 3.4Å; R551-D589 WeakPolarHBondContact CD-OD2 3.41Å; R551-D589 IonicContact CZ-OD1 3.95Å; R551-D589 IonicContact CZ-OD2 2.67Å; R551-D589 IonicContact NE-OD2 2.8Å; R551-D589 IonicContact NH1-OD1 3.62Å; R551-D589 PolarHBondContact NH1-OD1 2.77Å; R551-D589 IonicContact NH1-OD2 3.61Å; R551-D589 PolarHBondContact NH1-OD2 3.33Å; R551-D589 IonicContact NH2-OD1 2.68Å; M585-D589 WeakPolarHBondContact O-CB 3.46Å; M585-D589 PolarHBondContact O-N 2.87Å; M585-D589 VanDerWaalsContact O-N 3.08Å; S587-D589 VanDerWaalsContact C-N 3.31Å; S587-D589 PolarHBondContact O-N 3Å; D589-T591 HydrophobicContact CB-CG2 4.47Å; D589-T591 PolarHBondContact O-N 3.18Å |
| 590 | G | 66.7 | Low | 79.2 | Confident | 63 Ų | 63 | 47.6 Ų | 47.6 | 65% | 0.649 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S588 A592 | S588-G590 VanDerWaalsContact C-N 3.35Å; G590-A592 PolarHBondContact O-N 2.73Å |
| 591 | T | 75.5 | Confident | 78.8 | Confident | 42 Ų | 42 | 46.1 Ų | 46.1 | 26% | 0.258 | 27% | 0.274 | S | S | . | . | trans | -81.1 | 53.2 | -179.3 | 56.3 | 0 | 0 | 0 | 0 | 112.5 | D589 G593 E594 R595 | D589-T591 HydrophobicContact CB-CG2 4.47Å; D589-T591 PolarHBondContact O-N 3.18Å; T591-G593 PolarHBondContact O-N 2.82Å; T591-E594 WeakPolarHBondContact CB-OE2 3.38Å; T591-E594 PolarHBondContact O-N 3.28Å; T591-E594 PolarHBondContact OG1-OE2 3.04Å; T591-R595 PolarHBondContact O-N 3.24Å | ||
| 592 | A | 72.7 | Confident | 78.3 | Confident | 65 Ų | 65 | 41.3 Ų | 41.3 | 54% | 0.537 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -51 | -35.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G590 R596 | G590-A592 PolarHBondContact O-N 2.73Å; A592-R596 WeakPolarHBondContact O-CB 3.22Å; A592-R596 PolarHBondContact O-N 3.03Å |
| 593 | G | 73.4 | Confident | 77.6 | Confident | 50 Ų | 50 | 42.6 Ų | 42.6 | 52% | 0.515 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.9 | -40.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | T591 R596 L597 | T591-G593 PolarHBondContact O-N 2.82Å; G593-R596 PolarHBondContact O-N 3.12Å; G593-L597 WeakPolarHBondContact O-CG 3.37Å; G593-L597 PolarHBondContact O-N 3.31Å |
| 594 | E | 77.3 | Confident | 76.8 | Confident | 55 Ų | 55 | 46.1 Ų | 46.1 | 26% | 0.257 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -70.3 | -39.1 | 175.9 | -60.8 | -172.7 | 140 | 0 | 0 | 110.9 | N555 T591 L597 F598 | N555-E594 PolarHBondContact ND2-OE2 3.38Å; T591-E594 WeakPolarHBondContact CB-OE2 3.38Å; T591-E594 PolarHBondContact O-N 3.28Å; T591-E594 PolarHBondContact OG1-OE2 3.04Å; E594-L597 PolarHBondContact O-N 3.04Å; E594-F598 WeakPolarHBondContact O-CB 3.26Å; E594-F598 PolarHBondContact O-N 3.32Å |
| 595 | R | 80.6 | Confident | 76.1 | Confident | 35 Ų | 35 | 46.8 Ų | 46.8 | 13% | 0.132 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 172.4 | -167.4 | 178 | 172.6 | -138 | 17.7 | 112.3 | D583 L586 S587 T591 F598 R599 D668 | D583-R595 WeakPolarHBondContact OD1-CG 3.27Å; D583-R595 IonicContact OD1-NE 3.32Å; D583-R595 IonicContact OD2-NE 2.63Å; L586-R595 HydrophobicContact CB-CB 4.04Å; L586-R595 HydrophobicContact CB-CG 4.17Å; L586-R595 HydrophobicContact CD1-CB 4.39Å; S587-R595 PolarHBondContact OG-NE 3.47Å; S587-R595 PolarHBondContact OG-NH2 2.94Å; T591-R595 PolarHBondContact O-N 3.24Å; R595-F598 PolarHBondContact O-N 2.8Å; R595-R599 VanDerWaalsContact NH2-NH2 3.12Å; R595-R599 WeakPolarHBondContact O-CG 3.48Å; R595-R599 PolarHBondContact O-N 3.45Å; R595-D668 IonicContact CZ-OD2 3.41Å; R595-D668 IonicContact NH1-OD1 3.21Å; R595-D668 IonicContact NH1-OD2 3.55Å; R595-D668 PolarHBondContact NH1-OD2 3.32Å; R595-D668 IonicContact NH2-OD2 3.19Å |
| 596 | R | 74.5 | Confident | 75 | Confident | 128 Ų | 128 | 46.8 Ų | 46.8 | 48% | 0.483 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 174.2 | -175.6 | 172.3 | 171.9 | 165.4 | -1 | 111.7 | A592 G593 L600 E749 | A592-R596 WeakPolarHBondContact O-CB 3.22Å; A592-R596 PolarHBondContact O-N 3.03Å; G593-R596 PolarHBondContact O-N 3.12Å; R596-L600 WeakPolarHBondContact O-CB 3.4Å; R596-L600 PolarHBondContact O-N 2.96Å; R596-E749 IonicContact CZ-OE1 3.79Å; R596-E749 IonicContact CZ-OE2 2.73Å; R596-E749 IonicContact NH1-OE1 3.61Å; R596-E749 IonicContact NH1-OE2 2.75Å; R596-E749 PolarHBondContact NH1-OE2 3.01Å; R596-E749 IonicContact NH2-OE1 3.93Å; R596-E749 PolarHBondContact NH2-OE1 3.1Å; R596-E749 IonicContact NH2-OE2 3.72Å; R596-E749 PolarHBondContact NH2-OE2 3.34Å |
| 597 | L | 78.5 | Confident | 73.6 | Confident | 72 Ų | 72 | 52.3 Ų | 52.3 | 38% | 0.377 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 173.7 | -72.7 | 169.3 | 0 | 0 | 0 | 112.4 | L559 G593 E594 L600 A601 | L559-L597 HydrophobicContact CD2-CB 4.35Å; G593-L597 WeakPolarHBondContact O-CG 3.37Å; G593-L597 PolarHBondContact O-N 3.31Å; E594-L597 PolarHBondContact O-N 3.04Å; L597-L600 PolarHBondContact O-N 2.93Å; L597-A601 WeakPolarHBondContact O-CB 3.36Å; L597-A601 PolarHBondContact O-N 2.74Å |
| 598 | F | 81.9 | Confident | 72.1 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.6 | -47.3 | 178.4 | -178.9 | -107 | 0 | 0 | 0 | 112.2 | I558 L559 V562 I579 F582 D583 L586 E594 R595 L600 A601 C602 | I558-F598 HydrophobicContact CG2-CE2 3.89Å; L559-F598 VanDerWaalsContact CD2-CA 3.49Å; L559-F598 HydrophobicContact CD2-CB 3.9Å; L559-F598 HydrophobicContact CD2-CD2 4.09Å; V562-F598 HydrophobicContact CB-CE2 4.43Å; V562-F598 HydrophobicContact CG1-CE2 4.43Å; V562-F598 HydrophobicContact CG2-CE2 3.96Å; I579-F598 HydrophobicContact CB-CZ 4.42Å; I579-F598 HydrophobicContact CG1-CZ 4.13Å; I579-F598 HydrophobicContact CG2-CE1 4.25Å; I579-F598 HydrophobicContact CG2-CZ 3.99Å; F582-F598 HydrophobicContact CD1-CD1 4.49Å; F582-F598 HydrophobicContact CD1-CD2 4.1Å; F582-F598 HydrophobicContact CD1-CE1 4.17Å; F582-F598 AromaticContact CD1-CE2 3.75Å; F582-F598 HydrophobicContact CD1-CE2 3.75Å; F582-F598 HydrophobicContact CD1-CG 4.46Å; F582-F598 AromaticContact CD1-CZ 3.78Å; F582-F598 HydrophobicContact CD1-CZ 3.78Å; F582-F598 AromaticContact CE1-CD2 3.95Å; F582-F598 HydrophobicContact CE1-CD2 3.95Å; F582-F598 HydrophobicContact CE1-CE2 4Å; F582-F598 HydrophobicContact CE1-CG 4.36Å; F582-F598 HydrophobicContact CE1-CZ 4.45Å; D583-F598 HydrophobicContact CB-CD1 4.27Å; D583-F598 HydrophobicContact CB-CE1 4.06Å; L586-F598 HydrophobicContact CD1-CB 4.03Å; L586-F598 HydrophobicContact CD1-CD1 4.39Å; L586-F598 HydrophobicContact CD1-CG 4.2Å; E594-F598 WeakPolarHBondContact O-CB 3.26Å; E594-F598 PolarHBondContact O-N 3.32Å; R595-F598 PolarHBondContact O-N 2.8Å; F598-L600 VanDerWaalsContact C-N 3.33Å; F598-L600 PolarHBondContact O-N 3.08Å; F598-A601 PolarHBondContact O-N 2.73Å; F598-C602 PolarHBondContact O-N 2.75Å; F598-C602 PolarHBondContact O-SG 3.36Å |
| 599 | R | 79.2 | Confident | 70.3 | Confident | 27 Ų | 27 | 53.8 Ų | 53.8 | 10% | 0.102 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.5 | -38.7 | 175 | -70.1 | 173.5 | 172.7 | -153.9 | -7.7 | 112 | D583 R595 C602 S603 D668 | D583-R599 IonicContact OD1-CZ 2.78Å; D583-R599 IonicContact OD1-NE 3.76Å; D583-R599 PolarHBondContact OD1-NE 3.29Å; D583-R599 IonicContact OD1-NH2 3.47Å; D583-R599 IonicContact OD2-CZ 3.95Å; D583-R599 IonicContact OD2-NE 2.85Å; D583-R599 PolarHBondContact OD2-NE 2.78Å; D583-R599 IonicContact OD2-NH2 2.93Å; D583-R599 PolarHBondContact OD2-NH2 2.94Å; R595-R599 VanDerWaalsContact NH2-NH2 3.12Å; R595-R599 WeakPolarHBondContact O-CG 3.48Å; R595-R599 PolarHBondContact O-N 3.45Å; R599-C602 PolarHBondContact O-N 3.21Å; R599-S603 WeakPolarHBondContact O-CB 3.39Å; R599-S603 PolarHBondContact O-N 2.82Å; R599-S603 PolarHBondContact O-OG 2.71Å; R599-D668 PolarHBondContact NH1-O 3.29Å |
| 600 | L | 77.5 | Confident | 68.4 | Low | 42 Ų | 42 | 57.2 Ų | 57.2 | 22% | 0.22 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.5 | -39.6 | 173.8 | -177.1 | 65.6 | 0 | 0 | 0 | 112.6 | R596 L597 F598 S603 T604 A737 | R596-L600 WeakPolarHBondContact O-CB 3.4Å; R596-L600 PolarHBondContact O-N 2.96Å; L597-L600 PolarHBondContact O-N 2.93Å; F598-L600 VanDerWaalsContact C-N 3.33Å; F598-L600 PolarHBondContact O-N 3.08Å; L600-S603 PolarHBondContact O-N 2.62Å; L600-S603 PolarHBondContact O-OG 3.42Å; L600-T604 HydrophobicContact CD1-CG2 4.06Å; L600-T604 HydrophobicContact CG-CG2 4.4Å; L600-T604 WeakPolarHBondContact O-CB 3.38Å; L600-T604 WeakPolarHBondContact O-CG2 3.3Å; L600-T604 PolarHBondContact O-N 3.43Å; L600-T604 PolarHBondContact O-OG1 3.48Å; L600-A737 HydrophobicContact CD1-CB 4.33Å; L600-A737 HydrophobicContact CD2-CB 4.4Å |
| 601 | A | 74.3 | Confident | 66.9 | Low | 9 Ų | 9 | 55.8 Ų | 55.8 | 7% | 0.074 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63 | -43.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V562 L597 F598 T604 K605 | V562-A601 HydrophobicContact CG1-CB 4.37Å; L597-A601 WeakPolarHBondContact O-CB 3.36Å; L597-A601 PolarHBondContact O-N 2.74Å; F598-A601 PolarHBondContact O-N 2.73Å; A601-T604 PolarHBondContact O-OG1 3.14Å; A601-K605 PolarHBondContact O-N 3.29Å |
| 602 | C | 77.2 | Confident | 64.8 | Low | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 174.1 | -62.1 | 0 | 0 | 0 | 0 | 111.9 | F598 R599 T604 K605 A606 P831 | F598-C602 PolarHBondContact O-N 2.75Å; F598-C602 PolarHBondContact O-SG 3.36Å; R599-C602 PolarHBondContact O-N 3.21Å; C602-T604 PolarHBondContact O-N 2.91Å; C602-K605 PolarHBondContact O-N 2.91Å; C602-A606 PolarHBondContact O-N 2.74Å; C602-P831 HydrophobicContact CB-CG 4.13Å |
| 603 | S | 71.4 | Confident | 62.8 | Low | 30 Ų | 30 | 54.5 Ų | 54.5 | 21% | 0.21 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.3 | -30.9 | -176.3 | 71.6 | 0 | 0 | 0 | 0 | 113.7 | R599 L600 K605 | R599-S603 WeakPolarHBondContact O-CB 3.39Å; R599-S603 PolarHBondContact O-N 2.82Å; R599-S603 PolarHBondContact O-OG 2.71Å; L600-S603 PolarHBondContact O-N 2.62Å; L600-S603 PolarHBondContact O-OG 3.42Å; S603-K605 VanDerWaalsContact C-N 3.28Å; S603-K605 PolarHBondContact O-N 3.41Å |
| 604 | T | 68.6 | Low | 60.7 | Low | 74 Ų | 74 | 56.4 Ų | 56.4 | 45% | 0.454 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -76.8 | -12.4 | 177.1 | 50.4 | 0 | 0 | 0 | 0 | 113.8 | L600 A601 C602 | L600-T604 HydrophobicContact CD1-CG2 4.06Å; L600-T604 HydrophobicContact CG-CG2 4.4Å; L600-T604 WeakPolarHBondContact O-CB 3.38Å; L600-T604 WeakPolarHBondContact O-CG2 3.3Å; L600-T604 PolarHBondContact O-N 3.43Å; L600-T604 PolarHBondContact O-OG1 3.48Å; A601-T604 PolarHBondContact O-OG1 3.14Å; C602-T604 PolarHBondContact O-N 2.91Å |
| 605 | K | 68.7 | Low | 58.5 | Low | 85 Ų | 85 | 55 Ų | 55 | 37% | 0.37 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -111.7 | -10.5 | 177.9 | -66.6 | -76.3 | 168.7 | 139.3 | 0 | 113.9 | H563 F566 A601 C602 S603 R607 | H563-K605 WeakPolarHBondContact O-CE 3.3Å; H563-K605 PolarHBondContact O-NZ 2.86Å; F566-K605 HydrophobicContact CB-CB 3.72Å; F566-K605 HydrophobicContact CB-CG 4.26Å; F566-K605 HydrophobicContact CD1-CB 4.19Å; F566-K605 HydrophobicContact CD2-CB 4.06Å; F566-K605 HydrophobicContact CG-CB 3.68Å; A601-K605 PolarHBondContact O-N 3.29Å; C602-K605 PolarHBondContact O-N 2.91Å; S603-K605 VanDerWaalsContact C-N 3.28Å; S603-K605 PolarHBondContact O-N 3.41Å; K605-R607 PolarHBondContact O-N 3.39Å |
| 606 | A | 60.4 | Low | 56 | Low | 17 Ų | 17 | 57.1 Ų | 57.1 | 14% | 0.14 | 29% | 0.285 | C | S | . | . | trans | -61.1 | 117.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | C602 I828 F829 | C602-A606 PolarHBondContact O-N 2.74Å; A606-I828 HydrophobicContact CB-CG2 4.34Å; A606-F829 WeakPolarHBondContact CB-O 3.06Å | ||
| 607 | R | 54 | Low | 53.6 | Low | 117 Ų | 117 | 56.2 Ų | 56.2 | 44% | 0.442 | 29% | 0.289 | S | S | . | . | trans | -63.7 | 137.9 | 175.2 | -61.2 | -175 | -165.5 | -150.3 | 3.7 | 110.4 | N567 E570 K605 R609 | N567-R607 PolarHBondContact OD1-NH2 3.4Å; E570-R607 WeakPolarHBondContact OE1-CD 3.48Å; E570-R607 VanDerWaalsContact OE1-CG 3.3Å; E570-R607 WeakPolarHBondContact OE1-CG 3.42Å; E570-R607 IonicContact OE1-NE 3.92Å; E570-R607 WeakPolarHBondContact OE2-CD 3.41Å; E570-R607 IonicContact OE2-CZ 2.77Å; E570-R607 IonicContact OE2-NE 2.71Å; E570-R607 PolarHBondContact OE2-NE 3.26Å; E570-R607 IonicContact OE2-NH2 2.96Å; K605-R607 PolarHBondContact O-N 3.39Å; R607-R609 PolarHBondContact O-N 3.12Å; R607-R609 VanDerWaalsContact O-N 3.08Å | ||
| 608 | P | 46.8 | Very low | 51.2 | Low | 80 Ų | 80 | 59.3 Ų | 59.3 | 52% | 0.519 | 30% | 0.3 | S | S | . | . | trans | -70.9 | 105.1 | 175.2 | 28.9 | -33.9 | 0 | 0 | 0 | 110.1 | L826 | P608-L826 HydrophobicContact CB-CD1 4.07Å; P608-L826 HydrophobicContact CB-CD2 4.11Å; P608-L826 HydrophobicContact CB-CG 4Å | ||
| 609 | R | 40.2 | Very low | 48.5 | Very low | 90 Ų | 90 | 64.1 Ų | 64.1 | 34% | 0.34 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 128.9 | -178.7 | -64.3 | 179.4 | -178 | -140 | -9.9 | 109.5 | E570 D571 R607 V611 V827 | E570-R609 VanDerWaalsContact CD-NH2 3.34Å; E570-R609 IonicContact OE1-CZ 3.64Å; E570-R609 IonicContact OE1-NE 2.74Å; E570-R609 IonicContact OE1-NH2 3.83Å; E570-R609 PolarHBondContact OE1-NH2 2.78Å; D571-R609 IonicContact OD1-CZ 3.61Å; D571-R609 VanDerWaalsContact OD1-CZ 3.32Å; D571-R609 IonicContact OD1-NH1 3.52Å; D571-R609 PolarHBondContact OD1-NH1 3.1Å; D571-R609 IonicContact OD1-NH2 2.71Å; D571-R609 PolarHBondContact OD1-NH2 3.33Å; D571-R609 IonicContact OD2-NH2 3.89Å; R607-R609 PolarHBondContact O-N 3.12Å; R607-R609 VanDerWaalsContact O-N 3.08Å; R609-V611 HydrophobicContact CB-CG2 4.42Å; R609-V611 PolarHBondContact O-N 2.8Å; R609-V827 PolarHBondContact N-O 2.78Å; R609-V827 PolarHBondContact O-N 3.01Å |
| 610 | Q | 37.3 | Very low | 46.2 | Very low | 120 Ų | 120 | 67.5 Ų | 67.5 | 56% | 0.561 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 104 | 166.4 | -80.1 | -162.3 | -5.1 | 0 | 0 | 108.4 | L826 | Q610-L826 HydrophobicContact CG-CD1 3.92Å |
| 611 | V | 34.4 | Very low | 43.6 | Very low | 33 Ų | 33 | 70.8 Ų | 70.8 | 20% | 0.2 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 117.8 | 177.9 | 179.3 | 0 | 0 | 0 | 0 | 109.7 | R609 L613 L825 F829 | R609-V611 HydrophobicContact CB-CG2 4.42Å; R609-V611 PolarHBondContact O-N 2.8Å; V611-L613 PolarHBondContact O-N 2.84Å; V611-L825 PolarHBondContact N-O 2.91Å; V611-F829 HydrophobicContact CG2-CE2 4.03Å |
| 612 | E | 31.8 | Very low | 41.3 | Very low | 61 Ų | 61 | 79 Ų | 79 | 29% | 0.285 | 42% | 0.423 | S | S | . | . | trans | -89.8 | 75.4 | 165.7 | -75.5 | -161.2 | 156.3 | 0 | 0 | 110.8 | R824 N971 | E612-R824 HydrophobicContact CG-CG 4.12Å; E612-R824 IonicContact OE1-CZ 3.76Å; E612-R824 IonicContact OE1-NE 2.7Å; E612-R824 PolarHBondContact OE1-NE 2.64Å; E612-R824 IonicContact OE1-NH2 3.19Å; E612-R824 PolarHBondContact OE1-NH2 2.73Å; E612-R824 IonicContact OE2-NH2 3.63Å; E612-N971 WeakPolarHBondContact CA-ND2 3.21Å; E612-N971 HydrophobicContact CB-CB 4.06Å; E612-N971 VanDerWaalsContact CB-ND2 3.3Å; E612-N971 WeakPolarHBondContact CB-ND2 3.34Å; E612-N971 HydrophobicContact CG-CB 4.21Å | ||
| 613 | L | 31 | Very low | 38.7 | Very low | 20 Ų | 20 | 87.4 Ų | 87.4 | 11% | 0.105 | 47% | 0.467 | C | S | . | . | trans | -45.1 | 158.7 | 160.5 | -90.3 | -170.2 | 0 | 0 | 0 | 111.9 | V611 P660 F661 L825 A970 N971 | V611-L613 PolarHBondContact O-N 2.84Å; L613-P660 HydrophobicContact CD2-CG 3.45Å; L613-P660 VanDerWaalsContact CD2-CG 3.45Å; L613-F661 HydrophobicContact CD1-CE1 4.22Å; L613-F661 HydrophobicContact CD1-CE2 3.5Å; L613-F661 HydrophobicContact CD1-CZ 3.3Å; L613-F661 HydrophobicContact CD2-CE1 3.63Å; L613-F661 HydrophobicContact CD2-CE2 4.41Å; L613-F661 HydrophobicContact CD2-CZ 3.58Å; L613-F661 HydrophobicContact CG-CE1 3.99Å; L613-F661 HydrophobicContact CG-CE2 4.16Å; L613-F661 HydrophobicContact CG-CZ 3.41Å; L613-F661 VanDerWaalsContact CG-CZ 3.41Å; L613-L825 HydrophobicContact CD1-CD1 4.3Å; L613-A970 HydrophobicContact CB-CB 3.56Å; L613-A970 CarbonylContact O-C 3.5Å; L613-A970 VanDerWaalsContact O-C 3.32Å; L613-A970 WeakPolarHBondContact O-CB 3.13Å; L613-N971 CarbonylContact C-O 3.58Å; L613-N971 CarbonylContact O-C 3.38Å; L613-N971 VanDerWaalsContact O-CA 3.3Å; L613-N971 WeakPolarHBondContact O-CA 3.22Å; L613-N971 PolarHBondContact O-N 3.16Å; L613-N971 PolarHBondContact O-ND2 3.28Å | ||
| 614 | I | 29.5 | Very low | 36.7 | Very low | 90 Ų | 90 | 93.8 Ų | 93.8 | 46% | 0.462 | 49% | 0.493 | S | S | . | . | trans | -107.6 | 142.4 | 159.7 | -157.7 | -178.2 | 0 | 0 | 0 | 112.3 | N971 T972 | I614-N971 WeakPolarHBondContact CA-O 3.24Å; I614-N971 WeakPolarHBondContact CB-O 3.32Å; I614-N971 WeakPolarHBondContact CG1-O 3.29Å; I614-N971 PolarHBondContact N-O 3.35Å; I614-N971 VanDerWaalsContact N-O 3.11Å; I614-T972 HydrophobicContact CB-CG2 4.16Å | ||
| 615 | I | 31.5 | Very low | 35.3 | Very low | 25 Ų | 25 | 94.8 Ų | 94.8 | 13% | 0.128 | 50% | 0.501 | C | S | . | . | trans | -138.9 | 98.2 | 161.8 | -55.6 | -171.8 | 0 | 0 | 0 | 110.6 | L659 S969 A970 | I615-L659 HydrophobicContact CD1-CD2 3.51Å; I615-S969 VanDerWaalsContact CD1-CB 3.49Å; I615-S969 WeakPolarHBondContact CD1-OG 3.49Å; I615-A970 HydrophobicContact CB-CB 4.34Å; I615-A970 HydrophobicContact CG1-CB 3.98Å; I615-A970 PolarHBondContact N-O 3.38Å; I615-A970 VanDerWaalsContact N-O 3.15Å | ||
| 616 | P | 26.9 | Very low | 33.5 | Very low | 80 Ų | 80 | 97.9 Ų | 97.9 | 52% | 0.519 | 52% | 0.522 | S | S | . | . | trans | -87.4 | 110 | 168.5 | 32.5 | -27.2 | 0 | 0 | 0 | 110.4 | K618 | P616-K618 PolarHBondContact O-N 3.35Š| ||
| 617 | L | 25.5 | Very low | 32 | Very low | 108 Ų | 108 | 103.1 Ų | 103.1 | 57% | 0.565 | 55% | 0.547 | S | S | * | . | trans | -68 | 94 | 171.8 | -79.3 | 170.1 | 0 | 0 | 0 | 110.6 | S619 | L617-S619 PolarHBondContact O-N 2.81Š| ||
| 618 | K | 26.4 | Very low | 30.8 | Very low | 137 Ų | 137 | 106.9 Ų | 106.9 | 60% | 0.596 | 57% | 0.567 | S | S | * | * | trans | -91 | 92.7 | -174.8 | -159.8 | 174.3 | -166.9 | 169.9 | 0 | 111.2 | P616 S620 | P616-K618 PolarHBondContact O-N 3.35Å; K618-S620 PolarHBondContact O-N 3.28Å | ||
| 619 | S | 26.3 | Very low | 29.8 | Very low | 101 Ų | 101 | 106.9 Ų | 106.9 | 71% | 0.706 | 57% | 0.569 | S | S | * | * | trans | -71.1 | 114.2 | 171.7 | -53.9 | 0 | 0 | 0 | 0 | 110.6 | L617 | L617-S619 PolarHBondContact O-N 2.81Š| ||
| 620 | S | 29.7 | Very low | 29.3 | Very low | 98 Ų | 98 | 112.3 Ų | 112.3 | 69% | 0.685 | 60% | 0.595 | S | S | * | * | trans | -74.9 | 145.1 | -176.3 | -53.7 | 0 | 0 | 0 | 0 | 113.7 | K618 | K618-S620 PolarHBondContact O-N 3.28Š| ||
| 621 | C | 24.5 | Very low | 28.8 | Very low | 112 Ų | 112 | 109.7 Ų | 109.7 | 76% | 0.757 | 60% | 0.6 | S | S | * | * | trans | -165.6 | 131.6 | 144.4 | -101.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 622 | H | 25.2 | Very low | 28.6 | Very low | 182 Ų | 182 | 114.5 Ų | 114.5 | 84% | 0.843 | 63% | 0.629 | S | S | * | * | trans | 52.3 | 121.7 | 158.2 | -62.5 | -65.8 | 0 | 0 | 0 | 122.7 | ||||
| 623 | L | 23.7 | Very low | 28.4 | Very low | 176 Ų | 176 | 117.8 Ų | 117.8 | 92% | 0.921 | 65% | 0.649 | S | S | * | * | trans | -140.3 | 142.4 | 145.7 | -97.3 | 171.5 | 0 | 0 | 0 | 109.6 | ||||
| 624 | H | 27.6 | Very low | 28.3 | Very low | 163 Ų | 163 | 124.7 Ų | 124.7 | 76% | 0.755 | 69% | 0.686 | S | S | * | * | trans | -176.6 | 157.3 | 175.4 | -145.7 | -81.7 | 0 | 0 | 0 | 106.6 | ||||
| 625 | P | 40 | Very low | 28.2 | Very low | 96 Ų | 96 | 123 Ų | 123 | 62% | 0.623 | 69% | 0.69 | S | S | * | * | cis | -85.1 | -159.9 | -16.4 | -11.4 | 34 | 0 | 0 | 0 | 112.8 | ||||
| 626 | D | 31.6 | Very low | 28 | Very low | 150 Ų | 150 | 129.2 Ų | 129.2 | 80% | 0.802 | 73% | 0.73 | S | S | * | * | cis | -150.1 | 174.5 | 32.7 | -124.7 | -44 | 0 | 0 | 0 | 116.3 | ||||
| 627 | N | 27.9 | Very low | 28 | Very low | 126 Ų | 126 | 128.6 Ų | 128.6 | 67% | 0.674 | 74% | 0.738 | S | S | * | * | trans | -112.6 | 167.9 | -162.1 | -75 | -81.9 | 0 | 0 | 0 | 116.7 | ||||
| 628 | K | 29.9 | Very low | 27.9 | Very low | 197 Ų | 197 | 132.7 Ų | 132.7 | 86% | 0.857 | 75% | 0.752 | S | S | * | * | trans | 91.4 | 148.4 | 157.2 | -59.2 | 179.5 | -176.3 | 174.6 | 0 | 118.2 | ||||
| 629 | S | 26.2 | Very low | 27.9 | Very low | 80 Ų | 80 | 133.4 Ų | 133.4 | 56% | 0.559 | 76% | 0.761 | S | S | * | * | cis | 177.3 | 175.2 | -38 | 50.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 630 | F | 28.5 | Very low | 27.8 | Very low | 204 Ų | 204 | 133.1 Ų | 133.1 | 90% | 0.895 | 76% | 0.759 | S | S | * | * | trans | 75.4 | 131.1 | 178.9 | -52.9 | -81.4 | 0 | 0 | 0 | 115.9 | ||||
| 631 | G | 27.5 | Very low | 27.6 | Very low | 65 Ų | 65 | 133.4 Ų | 133.4 | 67% | 0.67 | 76% | 0.761 | S | S | * | * | cis | 123.7 | 138.8 | -23 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 632 | V | 29.1 | Very low | 27.6 | Very low | 134 Ų | 134 | 135 Ų | 135 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | trans | 76.9 | 137.1 | 150.5 | -178.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 633 | D | 28.8 | Very low | 27.6 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | cis | -169.4 | 175.6 | -28.5 | -93.8 | -29.5 | 0 | 0 | 0 | 110.6 | ||||
| 634 | D | 28.2 | Very low | 27.6 | Very low | 164 Ų | 164 | 131.4 Ų | 131.4 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | trans | 69.7 | 146.4 | 155 | -72.1 | -34.5 | 0 | 0 | 0 | 122.9 | ||||
| 635 | G | 27.9 | Very low | 27.5 | Very low | 54 Ų | 54 | 131.1 Ų | 131.1 | 56% | 0.557 | 76% | 0.76 | S | S | * | * | cis | 169.6 | 178.8 | -6.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 636 | T | 27 | Very low | 26.6 | Very low | 157 Ų | 157 | 134 Ų | 134 | 96% | 0.963 | 77% | 0.769 | S | S | * | * | trans | 71.9 | 143.8 | 173.4 | 74.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 637 | G | 26.1 | Very low | 26.3 | Very low | 67 Ų | 67 | 132 Ų | 132 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | cis | -164.3 | 154.5 | -6.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 638 | F | 24.9 | Very low | 26.1 | Very low | 194 Ų | 194 | 132 Ų | 132 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | S | Bend | -161.6 | 132 | 83.8 | -110.3 | -103.5 | 0 | 0 | 0 | 111.9 | |||
| 639 | L | 25.6 | Very low | 25.7 | Very low | 152 Ų | 152 | 128.4 Ų | 128.4 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | trans | 43.5 | 113.3 | 155.3 | -51 | 177.6 | 0 | 0 | 0 | 119 | ||||
| 640 | S | 25 | Very low | 25.5 | Very low | 94 Ų | 94 | 133.6 Ų | 133.6 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | cis | 70.5 | 139 | 33.7 | -145.8 | 0 | 0 | 0 | 0 | 113.9 | N642 | S640-N642 PolarHBondContact OG-OD1 3.09Š| ||
| 641 | S | 25.6 | Very low | 25.3 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | cis | -167.8 | 173.9 | 34.4 | 55.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 642 | N | 24.4 | Very low | 25.2 | Very low | 144 Ų | 144 | 128.5 Ų | 128.5 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | cis | -171.2 | 151.9 | -28.1 | -91.8 | -16 | 0 | 0 | 0 | 112.2 | S640 | S640-N642 PolarHBondContact OG-OD1 3.09Š| ||
| 643 | G | 25.3 | Very low | 24.9 | Very low | 75 Ų | 75 | 127.7 Ų | 127.7 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | trans | 91.2 | 151.9 | 146.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 644 | Q | 22.8 | Very low | 24.8 | Very low | 209 Ų | 209 | 129 Ų | 129 | 98% | 0.977 | 72% | 0.724 | S | S | * | * | cis | -146.8 | -178.8 | -3.2 | -77.3 | -165.3 | -23.1 | 0 | 0 | 111.7 | ||||
| 645 | H | 24.6 | Very low | 24.6 | Very low | 157 Ų | 157 | 126 Ų | 126 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | trans | -131.4 | 153.8 | -161.5 | -165.9 | -91.6 | 0 | 0 | 0 | 111.9 | ||||
| 646 | L | 22.4 | Very low | 24.6 | Very low | 157 Ų | 157 | 130.2 Ų | 130.2 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | trans | 171.3 | 108.5 | 144.9 | -95.5 | 163.8 | 0 | 0 | 0 | 116.5 | ||||
| 647 | N | 24.6 | Very low | 24.5 | Very low | 108 Ų | 108 | 128.5 Ų | 128.5 | 58% | 0.578 | 71% | 0.708 | S | S | * | * | trans | 40.6 | 128.2 | 130.7 | -77.6 | 23.6 | 0 | 0 | 0 | 126 | ||||
| 648 | N | 23.5 | Very low | 24.5 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 66% | 0.663 | 72% | 0.716 | S | S | * | * | 112.4 | 123.2 | 116.9 | -80.2 | 9.7 | 0 | 0 | 0 | 123.9 | |||||
| 649 | N | 22.5 | Very low | 24.5 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 65% | 0.652 | 70% | 0.695 | S | S | * | * | trans | 90.4 | 138 | 138.8 | -62.2 | -5.4 | 0 | 0 | 0 | 122.6 | ||||
| 650 | Y | 21.7 | Very low | 24.6 | Very low | 190 Ų | 190 | 123 Ų | 123 | 75% | 0.745 | 68% | 0.676 | S | S | * | * | trans | 61 | 130.2 | 175 | -55.2 | -89.4 | 0 | 0 | 0 | 115.1 | A784 | Y650-A784 HydrophobicContact CD1-CB 3.38Å; Y650-A784 HydrophobicContact CE1-CB 3.95Å; Y650-A784 HydrophobicContact CG-CB 4.15Å | ||
| 651 | D | 24 | Very low | 24.8 | Very low | 82 Ų | 82 | 121.4 Ų | 121.4 | 44% | 0.439 | 66% | 0.657 | S | S | . | * | cis | -146.4 | -172.1 | 27.7 | -128.2 | 17.7 | 0 | 0 | 0 | 114 | S782 G783 A784 | D651-S782 WeakPolarHBondContact OD2-CB 3.45Å; D651-G783 VanDerWaalsContact OD1-C 3.22Å; D651-G783 WeakPolarHBondContact OD1-CA 3.46Å; D651-G783 PolarHBondContact OD2-N 3.26Å; D651-A784 WeakPolarHBondContact OD1-CA 3.37Å; D651-A784 WeakPolarHBondContact OD1-CB 3.36Å; D651-A784 PolarHBondContact OD1-N 3.45Å | ||
| 652 | T | 25.1 | Very low | 24.9 | Very low | 79 Ų | 79 | 122.1 Ų | 122.1 | 49% | 0.485 | 66% | 0.657 | S | S | . | * | trans | -152.4 | -175.4 | -173.2 | -54.3 | 0 | 0 | 0 | 0 | 111 | G783 S785 | T652-G783 CarbonylContact C-O 3.32Å; T652-S785 VanDerWaalsContact CB-N 3.32Å; T652-S785 PolarHBondContact OG1-N 2.79Å | ||
| 653 | I | 22.5 | Very low | 25.1 | Very low | 118 Ų | 118 | 120 Ų | 120 | 61% | 0.605 | 64% | 0.644 | S | S | * | * | trans | 82.6 | 91.2 | -175.5 | -50.1 | 166.6 | 0 | 0 | 0 | 113.2 | G783 | I653-G783 WeakPolarHBondContact CD1-O 2.82Š| ||
| 654 | N | 27 | Very low | 25.3 | Very low | 158 Ų | 158 | 120.5 Ų | 120.5 | 85% | 0.845 | 63% | 0.628 | S | S | * | * | trans | 157.6 | 83.2 | 164.3 | -86.5 | -28.6 | 0 | 0 | 0 | 106.1 | ||||
| 655 | S | 24.4 | Very low | 25.5 | Very low | 100 Ų | 100 | 113.1 Ų | 113.1 | 70% | 0.699 | 61% | 0.608 | S | S | * | * | cis | 58.4 | 65.3 | 38.8 | 86.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 656 | L | 27.1 | Very low | 25.6 | Very low | 142 Ų | 142 | 107.7 Ų | 107.7 | 74% | 0.743 | 59% | 0.594 | S | S | * | * | trans | -112.9 | 151.3 | 138.4 | -149.5 | 72.5 | 0 | 0 | 0 | 108.2 | ||||
| 657 | I | 25.7 | Very low | 26 | Very low | 121 Ų | 121 | 110.2 Ų | 110.2 | 62% | 0.621 | 60% | 0.602 | S | S | * | * | trans | -79.2 | 125.4 | -171.9 | -64.3 | 163.6 | 0 | 0 | 0 | 109.2 | L659 | I657-L659 PolarHBondContact O-N 3.1Š| ||
| 658 | D | 25.2 | Very low | 26.2 | Very low | 160 Ų | 160 | 109.4 Ų | 109.4 | 86% | 0.856 | 60% | 0.598 | S | S | * | * | trans | -66.5 | 82.7 | 164.6 | -72.8 | -44.6 | 0 | 0 | 0 | 109.8 | ||||
| 659 | L | 25.8 | Very low | 26.5 | Very low | 77 Ų | 77 | 105.7 Ų | 105.7 | 40% | 0.403 | 59% | 0.589 | S | S | . | * | trans | -58.2 | 133 | 151.1 | -72.7 | 163.9 | 0 | 0 | 0 | 106.7 | I615 I657 F661 | I615-L659 HydrophobicContact CD1-CD2 3.51Å; I657-L659 PolarHBondContact O-N 3.1Å; L659-F661 HydrophobicContact CB-CD2 4.49Å; L659-F661 CarbonylContact O-C 3.01Å; L659-F661 PolarHBondContact O-N 3.07Å | ||
| 660 | P | 27.2 | Very low | 26.7 | Very low | 61 Ų | 61 | 103 Ų | 103 | 40% | 0.396 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -74.3 | 27.4 | 179.8 | 34.1 | -38.1 | 0 | 0 | 0 | 112.7 | L613 | L613-P660 HydrophobicContact CD2-CG 3.45Å; L613-P660 VanDerWaalsContact CD2-CG 3.45Å |
| 661 | F | 28.5 | Very low | 27.1 | Very low | 60 Ų | 60 | 96.2 Ų | 96.2 | 26% | 0.263 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -129.4 | 108.2 | 160 | -10.5 | -83.1 | 0 | 0 | 0 | 108.1 | L613 L659 M663 L825 F829 | L613-F661 HydrophobicContact CD1-CE1 4.22Å; L613-F661 HydrophobicContact CD1-CE2 3.5Å; L613-F661 HydrophobicContact CD1-CZ 3.3Å; L613-F661 HydrophobicContact CD2-CE1 3.63Å; L613-F661 HydrophobicContact CD2-CE2 4.41Å; L613-F661 HydrophobicContact CD2-CZ 3.58Å; L613-F661 HydrophobicContact CG-CE1 3.99Å; L613-F661 HydrophobicContact CG-CE2 4.16Å; L613-F661 HydrophobicContact CG-CZ 3.41Å; L613-F661 VanDerWaalsContact CG-CZ 3.41Å; L659-F661 HydrophobicContact CB-CD2 4.49Å; L659-F661 CarbonylContact O-C 3.01Å; L659-F661 PolarHBondContact O-N 3.07Å; F661-M663 PolarHBondContact O-N 3.46Å; F661-L825 HydrophobicContact CE2-CD1 3.49Å; F661-L825 VanDerWaalsContact CE2-CD1 3.49Å; F661-L825 HydrophobicContact CZ-CD1 3.7Å; F661-F829 HydrophobicContact CE1-CZ 4.37Å |
| 662 | T | 28.3 | Very low | 27.4 | Very low | 120 Ų | 120 | 94.8 Ų | 94.8 | 74% | 0.736 | 55% | 0.553 | S | S | * | * | trans | -54.9 | 120.9 | 154 | -50.4 | 0 | 0 | 0 | 0 | 107.5 | I664 | T662-I664 VanDerWaalsContact C-N 3.26Å; T662-I664 HydrophobicContact CG2-CG1 4Å; T662-I664 WeakPolarHBondContact O-CG1 3.46Å; T662-I664 PolarHBondContact O-N 3.46Å | ||
| 663 | M | 29.2 | Very low | 27.7 | Very low | 100 Ų | 100 | 96.2 Ų | 96.2 | 49% | 0.493 | 55% | 0.552 | S | S | . | * | trans | -67.6 | 90.8 | 164.7 | -84.4 | -70.2 | -60.9 | 0 | 0 | 107.5 | F661 G665 V672 I760 | F661-M663 PolarHBondContact O-N 3.46Å; M663-G665 PolarHBondContact O-N 3.49Å; M663-V672 HydrophobicContact SD-CB 4.47Å; M663-I760 HydrophobicContact CE-CD1 3.9Å | ||
| 664 | I | 29.8 | Very low | 28 | Very low | 85 Ų | 85 | 94.5 Ų | 94.5 | 44% | 0.436 | 54% | 0.544 | S | S | . | . | trans | -74.8 | 64.9 | 178.6 | -49.8 | -177.2 | 0 | 0 | 0 | 109.7 | T662 G666 | T662-I664 VanDerWaalsContact C-N 3.26Å; T662-I664 HydrophobicContact CG2-CG1 4Å; T662-I664 WeakPolarHBondContact O-CG1 3.46Å; T662-I664 PolarHBondContact O-N 3.46Å; I664-G666 PolarHBondContact O-N 2.83Å; I664-G666 VanDerWaalsContact O-N 3.12Å | ||
| 665 | G | 26.3 | Very low | 27.8 | Very low | 55 Ų | 55 | 93.6 Ų | 93.6 | 57% | 0.567 | 53% | 0.534 | S | S | * | . | trans | -78.9 | 55.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | M663 | M663-G665 PolarHBondContact O-N 3.49Š| ||
| 666 | G | 26.7 | Very low | 27.9 | Very low | 42 Ų | 42 | 92.8 Ų | 92.8 | 43% | 0.433 | 52% | 0.519 | S | S | . | . | trans | -72.7 | 166.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | I664 D668 | I664-G666 PolarHBondContact O-N 2.83Å; I664-G666 VanDerWaalsContact O-N 3.12Å; G666-D668 PolarHBondContact O-N 3.5Å | ||
| 667 | E | 30.4 | Very low | 27.7 | Very low | 210 Ų | 210 | 89.1 Ų | 89.1 | 98% | 0.981 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -64.7 | -18.5 | -163.9 | -60.9 | 177.5 | 126.7 | 0 | 0 | 114.6 | G669 | E667-G669 PolarHBondContact O-N 2.99Š|
| 668 | D | 29 | Very low | 27.7 | Very low | 91 Ų | 91 | 86.7 Ų | 86.7 | 49% | 0.487 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -96.5 | 67.5 | 174.3 | -65.4 | -55.9 | 0 | 0 | 0 | 112.8 | R595 R599 G666 | R595-D668 IonicContact CZ-OD2 3.41Å; R595-D668 IonicContact NH1-OD1 3.21Å; R595-D668 IonicContact NH1-OD2 3.55Å; R595-D668 PolarHBondContact NH1-OD2 3.32Å; R595-D668 IonicContact NH2-OD2 3.19Å; R599-D668 PolarHBondContact NH1-O 3.29Å; G666-D668 PolarHBondContact O-N 3.5Å |
| 669 | G | 29.3 | Very low | 27.7 | Very low | 46 Ų | 46 | 83.4 Ų | 83.4 | 47% | 0.474 | 47% | 0.472 | S | S | . | . | trans | -71.3 | 151.7 | -165.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | E667 | E667-G669 PolarHBondContact O-N 2.99Š| ||
| 670 | F | 28 | Very low | 27.6 | Very low | 67 Ų | 67 | 86.9 Ų | 86.9 | 29% | 0.294 | 49% | 0.49 | S | S | . | . | -153.6 | 135 | 119 | -111.8 | -74.9 | 0 | 0 | 0 | 109.3 | L741 | F670-L741 HydrophobicContact CE1-CD1 4.02Å; F670-L741 HydrophobicContact CE1-CD2 3.88Å; F670-L741 HydrophobicContact CZ-CD1 3.92Å | |||
| 671 | G | 29.9 | Very low | 27.4 | Very low | 46 Ų | 46 | 89.6 Ų | 89.6 | 47% | 0.474 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -90.8 | 156.3 | -164.8 | 0 | 0 | 0 | 0 | 0 | 116 | F673 | G671-F673 WeakPolarHBondContact O-CD2 3.41Å; G671-F673 PolarHBondContact O-N 3.48Å |
| 672 | V | 30.1 | Very low | 27.2 | Very low | 53 Ų | 53 | 90.3 Ų | 90.3 | 32% | 0.321 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 120.3 | 168.7 | 154.4 | 0 | 0 | 0 | 0 | 110.5 | M663 I674 V827 F829 | M663-V672 HydrophobicContact SD-CB 4.47Å; V672-I674 HydrophobicContact CG1-CD1 4.49Å; V672-I674 HydrophobicContact CG1-CG1 3.98Å; V672-V827 HydrophobicContact CB-CG1 4.3Å; V672-V827 HydrophobicContact CG1-CG1 3.7Å; V672-V827 HydrophobicContact CG1-CG2 4.41Å; V672-V827 HydrophobicContact CG2-CG1 3.78Å; V672-F829 HydrophobicContact CG2-CD1 4.27Å; V672-F829 HydrophobicContact CG2-CE1 4.4Å |
| 673 | F | 31.5 | Very low | 27 | Very low | 108 Ų | 108 | 90.9 Ų | 90.9 | 47% | 0.474 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 126.1 | 170.7 | -81.5 | -91.3 | 0 | 0 | 0 | 111 | G671 L741 L826 I828 | G671-F673 WeakPolarHBondContact O-CD2 3.41Å; G671-F673 PolarHBondContact O-N 3.48Å; F673-L741 HydrophobicContact CE2-CD2 4.23Å; F673-L741 HydrophobicContact CZ-CD2 3.91Å; F673-L826 VanDerWaalsContact O-O 3.08Å; F673-I828 HydrophobicContact CB-CD1 4.26Å |
| 674 | I | 28.2 | Very low | 26.8 | Very low | 82 Ų | 82 | 88.1 Ų | 88.1 | 42% | 0.421 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 121.4 | 172 | -57.1 | 170.2 | 0 | 0 | 0 | 107.6 | V672 L825 | V672-I674 HydrophobicContact CG1-CD1 4.49Å; V672-I674 HydrophobicContact CG1-CG1 3.98Å; I674-L825 HydrophobicContact CB-CD2 4.37Å; I674-L825 HydrophobicContact CD1-CD2 3.75Å; I674-L825 HydrophobicContact CG1-CD2 3.94Å; I674-L825 HydrophobicContact CG2-CD2 3.53Å |
| 675 | H | 24.3 | Very low | 26.5 | Very low | 139 Ų | 139 | 88.7 Ų | 88.7 | 64% | 0.644 | 51% | 0.508 | S | S | * | . | trans | -137.3 | 158.9 | 176.4 | -166.5 | -111.4 | 0 | 0 | 0 | 112.4 | ||||
| 676 | Q | 24.7 | Very low | 26.4 | Very low | 84 Ų | 84 | 88.6 Ų | 88.6 | 39% | 0.393 | 50% | 0.498 | S | S | . | . | trans | 60.8 | 94.7 | -170.6 | -81 | 171.7 | -19.3 | 0 | 0 | 115.9 | Y678 | Q676-Y678 HydrophobicContact CG-CD2 4.28Å; Q676-Y678 HydrophobicContact CG-CE2 3.96Å | ||
| 677 | V | 24.3 | Very low | 26.2 | Very low | 65 Ų | 65 | 94.5 Ų | 94.5 | 39% | 0.394 | 52% | 0.515 | S | S | . | . | trans | -118.8 | 122.5 | 140.8 | 179.8 | 0 | 0 | 0 | 0 | 105.4 | R965 | V677-R965 PolarHBondContact O-NH1 3.08Å; V677-R965 PolarHBondContact O-NH2 3.44Å | ||
| 678 | Y | 24 | Very low | 25.8 | Very low | 69 Ų | 69 | 90.3 Ų | 90.3 | 27% | 0.271 | 50% | 0.504 | S | S | . | . | trans | -72.5 | 134.4 | -169.5 | -106.7 | -116.1 | 0 | 0 | 0 | 114.5 | Q676 R965 D1017 D1018 | Q676-Y678 HydrophobicContact CG-CD2 4.28Å; Q676-Y678 HydrophobicContact CG-CE2 3.96Å; Y678-R965 PolarHBondContact O-NH2 3.24Å; Y678-D1017 HydrophobicContact CD2-CB 3.6Å; Y678-D1017 WeakPolarHBondContact CD2-OD1 3.45Å; Y678-D1017 WeakPolarHBondContact CD2-OD2 3.44Å; Y678-D1017 HydrophobicContact CE2-CB 3.56Å; Y678-D1017 WeakPolarHBondContact CE2-OD2 3.4Å; Y678-D1017 HydrophobicContact CG-CB 4.14Å; Y678-D1018 PolarHBondContact OH-N 2.95Å | ||
| 679 | T | 25.4 | Very low | 25.5 | Very low | 91 Ų | 91 | 89.5 Ų | 89.5 | 56% | 0.558 | 51% | 0.505 | S | S | * | . | trans | 32.7 | 140.8 | 139.2 | 62 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 680 | L | 23.6 | Very low | 25.2 | Very low | 151 Ų | 151 | 96.6 Ų | 96.6 | 79% | 0.791 | 52% | 0.519 | S | S | * | . | cis | -170.6 | 179.2 | -7.1 | -121 | 172.8 | 0 | 0 | 0 | 110.7 | ||||
| 681 | V | 24.6 | Very low | 24.9 | Very low | 117 Ų | 117 | 99.9 Ų | 99.9 | 71% | 0.709 | 54% | 0.54 | S | S | * | . | trans | 71.4 | 84.8 | 163.7 | -167.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 682 | S | 23.2 | Very low | 24.5 | Very low | 75 Ų | 75 | 104.6 Ų | 104.6 | 52% | 0.524 | 55% | 0.549 | S | S | . | . | 33.4 | 135.8 | 111.6 | -71.6 | 0 | 0 | 0 | 0 | 119.9 | N684 | S682-N684 WeakPolarHBondContact CB-OD1 2.99Å; S682-N684 PolarHBondContact OG-OD1 3.28Å | |||
| 683 | N | 24.6 | Very low | 24.2 | Very low | 133 Ų | 133 | 110.7 Ų | 110.7 | 71% | 0.711 | 57% | 0.574 | S | S | * | * | -114.5 | 166.9 | 113.3 | -158.4 | 14.5 | 0 | 0 | 0 | 109.6 | V961 T962 | N683-V961 CarbonylContact O-C 3.25Å; N683-T962 CarbonylContact O-C 3.45Å; N683-T962 PolarHBondContact O-N 2.89Å; N683-T962 VanDerWaalsContact O-O 3.05Å | |||
| 684 | N | 24.5 | Very low | 23.8 | Very low | 41 Ų | 41 | 109.9 Ų | 109.9 | 22% | 0.219 | 58% | 0.578 | C | S | . | * | trans | -144.8 | 133.4 | -163.5 | -69.5 | 0.8 | 0 | 0 | 0 | 110.2 | S682 S959 V961 | S682-N684 WeakPolarHBondContact CB-OD1 2.99Å; S682-N684 PolarHBondContact OG-OD1 3.28Å; N684-S959 WeakPolarHBondContact CB-O 2.97Å; N684-S959 PolarHBondContact ND2-O 3.06Å; N684-V961 WeakPolarHBondContact OD1-CA 3.07Å | ||
| 685 | N | 24.9 | Very low | 23.6 | Very low | 97 Ų | 97 | 113 Ų | 113 | 52% | 0.519 | 60% | 0.596 | S | S | . | * | trans | 162 | 152.8 | 143.7 | -86.5 | -1.5 | 0 | 0 | 0 | 113.5 | S959 H960 | N685-S959 PolarHBondContact ND2-OG 3.22Å; N685-S959 WeakPolarHBondContact OD1-CB 3.11Å; N685-S959 PolarHBondContact OD1-OG 3.39Å; N685-S959 VanDerWaalsContact OD1-OG 3.07Å; N685-H960 VanDerWaalsContact CA-O 3.29Å; N685-H960 WeakPolarHBondContact CA-O 3.35Å; N685-H960 PolarHBondContact OD1-N 2.99Å | ||
| 686 | S | 23.2 | Very low | 23.5 | Very low | 54 Ų | 54 | 115.1 Ų | 115.1 | 38% | 0.378 | 61% | 0.606 | S | S | . | * | cis | -174.9 | 165 | -28.7 | 47.7 | 0 | 0 | 0 | 0 | 109 | H960 | S686-H960 WeakPolarHBondContact CA-O 3.38Š| ||
| 687 | E | 23.2 | Very low | 23.4 | Very low | 166 Ų | 166 | 120.4 Ų | 120.4 | 78% | 0.776 | 63% | 0.627 | S | S | * | * | trans | 66.4 | 156.9 | 155.4 | -70.7 | 148 | 154 | 0 | 0 | 116.8 | ||||
| 688 | T | 22 | Very low | 23.6 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 75% | 0.748 | 65% | 0.652 | S | S | * | * | cis | -161.6 | 169.2 | -5.8 | 20.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 689 | S | 21.9 | Very low | 23.5 | Very low | 73 Ų | 73 | 132.4 Ų | 132.4 | 51% | 0.51 | 68% | 0.677 | S | S | . | * | cis | 175.2 | 149.8 | -31.6 | 58.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 690 | Y | 22.4 | Very low | 23.3 | Very low | 196 Ų | 196 | 134.1 Ų | 134.1 | 77% | 0.769 | 69% | 0.688 | S | S | * | * | trans | 67.1 | 122.7 | 158.4 | -57.5 | -48.8 | 0 | 0 | 0 | 116.4 | ||||
| 691 | D | 22.3 | Very low | 23.8 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | 79.7 | 150 | 74.4 | -60.9 | 2.6 | 0 | 0 | 0 | 111.2 | |||||
| 692 | E | 22.3 | Very low | 23.9 | Very low | 144 Ų | 144 | 134.8 Ų | 134.8 | 67% | 0.673 | 70% | 0.695 | S | S | * | * | cis | -153.2 | 162.1 | -0.3 | -138.8 | -176.6 | 175.6 | 0 | 0 | 109.1 | ||||
| 693 | H | 24 | Very low | 23.8 | Very low | 182 Ų | 182 | 136.3 Ų | 136.3 | 84% | 0.843 | 71% | 0.706 | S | S | * | * | 178.1 | 161.3 | 128.4 | -96.3 | -49.6 | 0 | 0 | 0 | 112.5 | |||||
| 694 | T | 23.1 | Very low | 23.8 | Very low | 91 Ų | 91 | 135.3 Ų | 135.3 | 56% | 0.558 | 71% | 0.709 | S | S | * | * | trans | -144.6 | 160.1 | -153.8 | 45.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 695 | N | 23.1 | Very low | 23.6 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | trans | 70.9 | 158 | 168.8 | -50.1 | -45.5 | 0 | 0 | 0 | 114.8 | ||||
| 696 | Q | 22.6 | Very low | 23.6 | Very low | 183 Ų | 183 | 141.3 Ų | 141.3 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | cis | -134.7 | 176.8 | 18 | -77.3 | -176 | -3.1 | 0 | 0 | 114.6 | ||||
| 697 | K | 22.7 | Very low | 23.6 | Very low | 194 Ų | 194 | 145.5 Ų | 145.5 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | trans | -43.6 | 151.1 | 170.7 | -54.8 | 166.5 | -179.9 | 175.6 | 0 | 114.2 | ||||
| 698 | Y | 27.3 | Very low | 23.6 | Very low | 234 Ų | 234 | 142.3 Ų | 142.3 | 92% | 0.918 | 76% | 0.763 | S | S | * | * | -155.2 | 155.1 | 116.5 | -102.8 | -71.9 | 0 | 0 | 0 | 110.9 | |||||
| 699 | L | 22.9 | Very low | 23.7 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | trans | -114.7 | 171.1 | 168.3 | -158.1 | 92.1 | 0 | 0 | 0 | 108.3 | ||||
| 700 | T | 21.4 | Very low | 23.9 | Very low | 128 Ų | 128 | 143.2 Ų | 143.2 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | 88.3 | 121.4 | 175.1 | 81.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 701 | N | 34.5 | Very low | 24 | Very low | 157 Ų | 157 | 139.6 Ų | 139.6 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 147 | 171 | -65 | -30.2 | 0 | 0 | 0 | 110.1 | ||
| 702 | P | 26.1 | Very low | 24 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 129.2 | 151.3 | 32.8 | -28.5 | 0 | 0 | 0 | 110.2 | ||
| 703 | S | 20.8 | Very low | 24.2 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 140.4 | 176.1 | 45.8 | 0 | 0 | 0 | 0 | 112.8 | ||
| 704 | S | 24.1 | Very low | 24.2 | Very low | 111 Ų | 111 | 134 Ų | 134 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | -163.8 | 113.9 | 146.4 | 14.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 705 | L | 21.7 | Very low | 24.2 | Very low | 147 Ų | 147 | 139 Ų | 139 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | 76.3 | 84.6 | 64.9 | -71.2 | 168.1 | 0 | 0 | 0 | 113.7 | |||||
| 706 | S | 23.9 | Very low | 24.8 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | -177.9 | 145.5 | 122.8 | 45.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 707 | L | 22.7 | Very low | 25.3 | Very low | 142 Ų | 142 | 134.1 Ų | 134.1 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | cis | -165.3 | 165.8 | -38.5 | -125.5 | 157.3 | 0 | 0 | 0 | 109 | ||||
| 708 | S | 22.8 | Very low | 25.3 | Very low | 99 Ų | 99 | 130.1 Ų | 130.1 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | trans | 55.8 | 112.6 | 152.7 | 58.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 709 | S | 24.6 | Very low | 25.1 | Very low | 99 Ų | 99 | 124.1 Ų | 124.1 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | trans | -61.3 | -173.2 | 139.7 | 54.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 710 | P | 26.3 | Very low | 25.2 | Very low | 115 Ų | 115 | 121.7 Ų | 121.7 | 75% | 0.747 | 77% | 0.765 | S | S | * | * | -140.8 | 172 | 116.6 | 39.7 | -30 | 0 | 0 | 0 | 115.3 | |||||
| 711 | C | 24.7 | Very low | 25.3 | Very low | 120 Ų | 120 | 121.8 Ų | 121.8 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | trans | 74.5 | 80.1 | 160.7 | -63.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 712 | D | 22.5 | Very low | 24.8 | Very low | 118 Ų | 118 | 124.2 Ų | 124.2 | 63% | 0.631 | 76% | 0.763 | S | S | * | * | trans | -55.5 | 157.9 | 150.8 | -57.4 | -96.4 | 0 | 0 | 0 | 114 | Y715 | D712-Y715 WeakPolarHBondContact OD1-CD2 3.41Å; D712-Y715 WeakPolarHBondContact OD1-CE2 3.09Å | ||
| 713 | S | 25.6 | Very low | 24.6 | Very low | 106 Ų | 106 | 124 Ų | 124 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | -153.4 | 141.2 | 128.6 | 64.9 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 714 | S | 24.2 | Very low | 24.8 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | trans | 59.3 | 79.4 | 173.3 | 40.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 715 | Y | 24.9 | Very low | 24.9 | Very low | 196 Ų | 196 | 126 Ų | 126 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | -79 | -159.4 | 162.2 | -101.9 | -67.7 | 0 | 0 | 0 | 110.9 | D712 | D712-Y715 WeakPolarHBondContact OD1-CD2 3.41Å; D712-Y715 WeakPolarHBondContact OD1-CE2 3.09Å | ||
| 716 | P | 33.9 | Very low | 25 | Very low | 108 Ų | 108 | 125.5 Ų | 125.5 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | -121.4 | -137.6 | -102.8 | 37.6 | -12.1 | 0 | 0 | 0 | 109.7 | |||||
| 717 | P | 33.3 | Very low | 25.1 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | cis | -121.4 | -153.1 | -17.5 | 33.4 | -8.2 | 0 | 0 | 0 | 110.6 | ||||
| 718 | S | 23.7 | Very low | 25.2 | Very low | 111 Ų | 111 | 124.9 Ų | 124.9 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | cis | -155.7 | -177.2 | 12.4 | 71.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 719 | S | 23.5 | Very low | 25.5 | Very low | 108 Ų | 108 | 127.2 Ų | 127.2 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | trans | -85.8 | 148.9 | -179.1 | 53.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 720 | A | 24.9 | Very low | 25.7 | Very low | 101 Ų | 101 | 125.1 Ų | 125.1 | 84% | 0.835 | 72% | 0.724 | S | S | * | * | trans | -134.8 | 108.1 | 153.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 721 | T | 23.3 | Very low | 25.9 | Very low | 130 Ų | 130 | 125 Ų | 125 | 80% | 0.798 | 71% | 0.714 | S | S | * | * | trans | -59.1 | 134 | 172.4 | -49.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 722 | R | 22.9 | Very low | 26.2 | Very low | 207 Ų | 207 | 122.9 Ų | 122.9 | 78% | 0.781 | 69% | 0.694 | S | S | * | * | trans | -126.3 | 109.8 | 160.7 | -103.8 | -170.9 | 177.7 | 179.6 | 2.3 | 111.7 | ||||
| 723 | V | 23.2 | Very low | 26.6 | Very low | 122 Ų | 122 | 121 Ų | 121 | 74% | 0.739 | 68% | 0.682 | S | S | * | * | trans | -64.7 | 132.7 | 166 | 177.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 724 | L | 24.4 | Very low | 26.9 | Very low | 161 Ų | 161 | 119.6 Ų | 119.6 | 84% | 0.843 | 67% | 0.665 | S | S | * | * | trans | -115.5 | 100.9 | 171.8 | -86.4 | 169.2 | 0 | 0 | 0 | 109.9 | ||||
| 725 | P | 25.5 | Very low | 27.3 | Very low | 98 Ų | 98 | 119.7 Ų | 119.7 | 64% | 0.636 | 65% | 0.647 | S | S | * | * | trans | -88.4 | 123 | 170.6 | 32.7 | -28.3 | 0 | 0 | 0 | 110.7 | ||||
| 726 | N | 24.4 | Very low | 27.6 | Very low | 137 Ų | 137 | 116.6 Ų | 116.6 | 73% | 0.733 | 63% | 0.634 | S | S | * | * | trans | 155.9 | 89.5 | 144.1 | -81 | -17.1 | 0 | 0 | 0 | 111.1 | ||||
| 727 | F | 26.7 | Very low | 27.5 | Very low | 158 Ų | 158 | 112.2 Ų | 112.2 | 69% | 0.693 | 61% | 0.606 | S | S | * | * | trans | -127.2 | 8 | -178.4 | -109.4 | -76.5 | 0 | 0 | 0 | 114.7 | V730 H731 | F727-V730 HydrophobicContact CD1-CB 4.46Å; F727-H731 PolarHBondContact O-N 3.01Å | ||
| 728 | S | 24.9 | Very low | 27.3 | Very low | 88 Ų | 88 | 110.6 Ų | 110.6 | 62% | 0.615 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.9 | -44.5 | -170.5 | 51.3 | 0 | 0 | 0 | 0 | 114.8 | V730 H731 D732 | S728-V730 VanDerWaalsContact C-N 3.34Å; S728-V730 PolarHBondContact O-N 3.38Å; S728-H731 WeakPolarHBondContact O-CB 3.39Å; S728-H731 PolarHBondContact O-N 2.87Å; S728-D732 PolarHBondContact O-N 3.2Å; S728-D732 VanDerWaalsContact O-N 3.13Å |
| 729 | F | 28.7 | Very low | 27.6 | Very low | 147 Ų | 147 | 111.5 Ų | 111.5 | 65% | 0.645 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.5 | -37.3 | -174.9 | -171.5 | -100.3 | 0 | 0 | 0 | 113.2 | ||
| 730 | V | 29 | Very low | 27.9 | Very low | 56 Ų | 56 | 112.8 Ų | 112.8 | 34% | 0.339 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -69.1 | -38.2 | 174.2 | -178.2 | 0 | 0 | 0 | 0 | 110.3 | F727 S728 D732 Q733 I734 | F727-V730 HydrophobicContact CD1-CB 4.46Å; S728-V730 VanDerWaalsContact C-N 3.34Å; S728-V730 PolarHBondContact O-N 3.38Å; V730-D732 PolarHBondContact O-N 3.26Å; V730-Q733 PolarHBondContact O-N 3.44Å; V730-I734 HydrophobicContact CG1-CD1 3.86Å; V730-I734 HydrophobicContact CG1-CG1 4.33Å; V730-I734 WeakPolarHBondContact O-CG1 3.36Å; V730-I734 PolarHBondContact O-N 3.19Å |
| 731 | H | 29.8 | Very low | 28.2 | Very low | 113 Ų | 113 | 111 Ų | 111 | 52% | 0.523 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.7 | -32.5 | -176.5 | -153.6 | -37.9 | 0 | 0 | 0 | 113.5 | F727 S728 R735 | F727-H731 PolarHBondContact O-N 3.01Å; S728-H731 WeakPolarHBondContact O-CB 3.39Å; S728-H731 PolarHBondContact O-N 2.87Å; H731-R735 VanDerWaalsContact O-CB 3.31Å; H731-R735 WeakPolarHBondContact O-CB 3.31Å; H731-R735 PolarHBondContact O-N 2.97Å |
| 732 | D | 30.7 | Very low | 28.3 | Very low | 74 Ų | 74 | 107.3 Ų | 107.3 | 40% | 0.396 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -77.3 | -27.1 | 174.1 | -89.6 | -41.8 | 0 | 0 | 0 | 113.6 | S728 V730 R735 R736 | S728-D732 PolarHBondContact O-N 3.2Å; S728-D732 VanDerWaalsContact O-N 3.13Å; V730-D732 PolarHBondContact O-N 3.26Å; D732-R735 PolarHBondContact O-N 3.3Å; D732-R735 IonicContact OD1-CZ 2.67Å; D732-R735 IonicContact OD1-NE 3.68Å; D732-R735 IonicContact OD1-NH1 2.86Å; D732-R735 PolarHBondContact OD1-NH1 3.49Å; D732-R736 PolarHBondContact O-N 2.88Å |
| 733 | Q | 31.6 | Very low | 28.6 | Very low | 80 Ų | 80 | 103 Ų | 103 | 37% | 0.374 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -78.6 | -34 | 172.1 | -62.9 | -63.1 | -0.1 | 0 | 0 | 112.1 | V730 R735 R736 A737 | V730-Q733 PolarHBondContact O-N 3.44Å; Q733-R735 VanDerWaalsContact C-N 3.33Å; Q733-R736 PolarHBondContact O-N 3.18Å; Q733-A737 WeakPolarHBondContact O-CB 3.44Å; Q733-A737 PolarHBondContact O-N 3.46Å |
| 734 | I | 31 | Very low | 28.7 | Very low | 75 Ų | 75 | 104.6 Ų | 104.6 | 39% | 0.385 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 165.3 | -69.6 | 171.1 | 0 | 0 | 0 | 109.7 | V730 R736 A737 D738 | V730-I734 HydrophobicContact CG1-CD1 3.86Å; V730-I734 HydrophobicContact CG1-CG1 4.33Å; V730-I734 WeakPolarHBondContact O-CG1 3.36Å; V730-I734 PolarHBondContact O-N 3.19Å; I734-R736 VanDerWaalsContact C-N 3.34Å; I734-R736 PolarHBondContact O-N 3.44Å; I734-A737 PolarHBondContact O-N 2.93Å; I734-A737 VanDerWaalsContact O-N 3.15Å; I734-D738 WeakPolarHBondContact O-CB 3.21Å; I734-D738 PolarHBondContact O-N 3.37Å |
| 735 | R | 32.5 | Very low | 28.8 | Very low | 125 Ų | 125 | 99.7 Ų | 99.7 | 47% | 0.472 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.7 | -39.1 | 175.9 | -177.7 | -178.2 | -73.7 | 153.1 | -8.6 | 112.9 | H731 D732 Q733 Q739 | H731-R735 VanDerWaalsContact O-CB 3.31Å; H731-R735 WeakPolarHBondContact O-CB 3.31Å; H731-R735 PolarHBondContact O-N 2.97Å; D732-R735 PolarHBondContact O-N 3.3Å; D732-R735 IonicContact OD1-CZ 2.67Å; D732-R735 IonicContact OD1-NE 3.68Å; D732-R735 IonicContact OD1-NH1 2.86Å; D732-R735 PolarHBondContact OD1-NH1 3.49Å; Q733-R735 VanDerWaalsContact C-N 3.33Å; R735-Q739 WeakPolarHBondContact O-CB 3.38Å; R735-Q739 WeakPolarHBondContact O-CG 3.42Å; R735-Q739 PolarHBondContact O-N 2.77Å |
| 736 | R | 31 | Very low | 29 | Very low | 131 Ų | 131 | 105.8 Ų | 105.8 | 49% | 0.494 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69.6 | -39 | 172.8 | -86.1 | -169.4 | 169 | 107.2 | -6.6 | 113 | D732 Q733 I734 Q739 L740 | D732-R736 PolarHBondContact O-N 2.88Å; Q733-R736 PolarHBondContact O-N 3.18Å; I734-R736 VanDerWaalsContact C-N 3.34Å; I734-R736 PolarHBondContact O-N 3.44Å; R736-Q739 PolarHBondContact O-N 3.03Å; R736-L740 WeakPolarHBondContact O-CG 3.33Å; R736-L740 PolarHBondContact O-N 2.72Å |
| 737 | A | 31.8 | Very low | 29.4 | Very low | 15 Ų | 15 | 102.9 Ų | 102.9 | 12% | 0.124 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | L600 Q733 I734 Q739 L740 L741 | L600-A737 HydrophobicContact CD1-CB 4.33Å; L600-A737 HydrophobicContact CD2-CB 4.4Å; Q733-A737 WeakPolarHBondContact O-CB 3.44Å; Q733-A737 PolarHBondContact O-N 3.46Å; I734-A737 PolarHBondContact O-N 2.93Å; I734-A737 VanDerWaalsContact O-N 3.15Å; A737-Q739 VanDerWaalsContact C-N 3.32Å; A737-Q739 PolarHBondContact O-N 3.01Å; A737-L740 PolarHBondContact O-N 3.21Å; A737-L741 WeakPolarHBondContact O-CB 3.28Å; A737-L741 VanDerWaalsContact O-CG 3.27Å; A737-L741 WeakPolarHBondContact O-CG 3.37Å; A737-L741 PolarHBondContact O-N 3.12Å |
| 738 | D | 29.7 | Very low | 29.8 | Very low | 85 Ų | 85 | 99.9 Ų | 99.9 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58 | -41.7 | 171.6 | -84.7 | -22.7 | 0 | 0 | 0 | 111.7 | I734 L740 L741 A742 | I734-D738 WeakPolarHBondContact O-CB 3.21Å; I734-D738 PolarHBondContact O-N 3.37Å; D738-L740 VanDerWaalsContact C-N 3.34Å; D738-L740 PolarHBondContact O-N 3.02Å; D738-L741 CarbonylContact O-C 3.56Å; D738-L741 PolarHBondContact O-N 2.9Å; D738-A742 WeakPolarHBondContact O-CA 3.34Å; D738-A742 WeakPolarHBondContact O-CB 3.1Å; D738-A742 PolarHBondContact O-N 3.4Å |
| 739 | Q | 30.2 | Very low | 30.1 | Very low | 130 Ų | 130 | 100.6 Ų | 100.6 | 61% | 0.607 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.6 | -32.1 | 177.2 | -77.2 | 168.8 | -3.4 | 0 | 0 | 113.4 | R735 R736 A737 | R735-Q739 WeakPolarHBondContact O-CB 3.38Å; R735-Q739 WeakPolarHBondContact O-CG 3.42Å; R735-Q739 PolarHBondContact O-N 2.77Å; R736-Q739 PolarHBondContact O-N 3.03Å; A737-Q739 VanDerWaalsContact C-N 3.32Å; A737-Q739 PolarHBondContact O-N 3.01Å |
| 740 | L | 30.1 | Very low | 30.5 | Very low | 136 Ų | 136 | 102 Ų | 102 | 71% | 0.712 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -75.9 | -31.9 | 172.4 | -73.4 | 166.6 | 0 | 0 | 0 | 112.4 | R736 A737 D738 | R736-L740 WeakPolarHBondContact O-CG 3.33Å; R736-L740 PolarHBondContact O-N 2.72Å; A737-L740 PolarHBondContact O-N 3.21Å; D738-L740 VanDerWaalsContact C-N 3.34Å; D738-L740 PolarHBondContact O-N 3.02Å |
| 741 | L | 30.5 | Very low | 30.6 | Very low | 64 Ų | 64 | 103.6 Ų | 103.6 | 34% | 0.335 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -76.4 | -22.4 | 171.9 | -67.6 | 167.4 | 0 | 0 | 0 | 112.4 | F670 F673 A737 D738 V743 | F670-L741 HydrophobicContact CE1-CD1 4.02Å; F670-L741 HydrophobicContact CE1-CD2 3.88Å; F670-L741 HydrophobicContact CZ-CD1 3.92Å; F673-L741 HydrophobicContact CE2-CD2 4.23Å; F673-L741 HydrophobicContact CZ-CD2 3.91Å; A737-L741 WeakPolarHBondContact O-CB 3.28Å; A737-L741 VanDerWaalsContact O-CG 3.27Å; A737-L741 WeakPolarHBondContact O-CG 3.37Å; A737-L741 PolarHBondContact O-N 3.12Å; D738-L741 CarbonylContact O-C 3.56Å; D738-L741 PolarHBondContact O-N 2.9Å; L741-V743 PolarHBondContact O-N 3.36Å |
| 742 | A | 24.9 | Very low | 30.9 | Very low | 52 Ų | 52 | 104.9 Ų | 104.9 | 43% | 0.43 | 54% | 0.536 | S | S | . | . | trans | -77 | 32.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115 | D738 N744 G745 | D738-A742 WeakPolarHBondContact O-CA 3.34Å; D738-A742 WeakPolarHBondContact O-CB 3.1Å; D738-A742 PolarHBondContact O-N 3.4Å; A742-N744 VanDerWaalsContact C-N 3.27Å; A742-N744 PolarHBondContact O-N 2.87Å; A742-G745 PolarHBondContact O-N 2.98Å | ||
| 743 | V | 29.5 | Very low | 31.2 | Very low | 116 Ų | 116 | 105.5 Ų | 105.5 | 70% | 0.703 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -71.2 | 89 | 162.6 | -174.5 | 0 | 0 | 0 | 0 | 108.3 | L741 | L741-V743 PolarHBondContact O-N 3.36Š|
| 744 | N | 25.1 | Very low | 31.6 | Very low | 156 Ų | 156 | 104.6 Ų | 104.6 | 83% | 0.834 | 55% | 0.546 | S | S | * | . | S | Bend | trans | 85.4 | 15.1 | -174 | -45.8 | -57.4 | 0 | 0 | 0 | 117.3 | A742 R746 | A742-N744 VanDerWaalsContact C-N 3.27Å; A742-N744 PolarHBondContact O-N 2.87Å; N744-R746 PolarHBondContact O-N 3.33Å |
| 745 | G | 27.2 | Very low | 32 | Very low | 58 Ų | 58 | 103.8 Ų | 103.8 | 60% | 0.598 | 54% | 0.543 | S | S | * | . | S | Bend | trans | 66.2 | 42.9 | 153.7 | 0 | 0 | 0 | 0 | 0 | 118 | A742 | A742-G745 PolarHBondContact O-N 2.98Š|
| 746 | R | 29.7 | Very low | 32.2 | Very low | 226 Ų | 226 | 99.9 Ų | 99.9 | 85% | 0.853 | 53% | 0.533 | S | S | * | . | trans | -136.5 | 134 | 162.6 | -71.4 | -169.9 | 174.8 | -162.6 | -2.4 | 110.7 | N744 | N744-R746 PolarHBondContact O-N 3.33Š| ||
| 747 | S | 33.7 | Very low | 32.6 | Very low | 75 Ų | 75 | 98.3 Ų | 98.3 | 52% | 0.524 | 53% | 0.533 | S | S | . | . | trans | -70.3 | 150 | 165.9 | 179.1 | 0 | 0 | 0 | 0 | 110.3 | E749 | S747-E749 PolarHBondContact OG-N 3.47Š| ||
| 748 | V | 34.3 | Very low | 33 | Very low | 95 Ų | 95 | 104.4 Ų | 104.4 | 58% | 0.576 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -96.4 | -6.6 | -176 | -178.5 | 0 | 0 | 0 | 0 | 112 | H750 L751 | V748-H750 PolarHBondContact O-N 2.98Å; V748-L751 HydrophobicContact CG1-CD1 4.38Å; V748-L751 PolarHBondContact O-N 3.49Å |
| 749 | E | 30.9 | Very low | 33.4 | Very low | 104 Ų | 104 | 105.1 Ų | 105.1 | 49% | 0.486 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.1 | -1.5 | -172.3 | -69 | -178.7 | -125.3 | 0 | 0 | 116.1 | R596 S747 | R596-E749 IonicContact CZ-OE1 3.79Å; R596-E749 IonicContact CZ-OE2 2.73Å; R596-E749 IonicContact NH1-OE1 3.61Å; R596-E749 IonicContact NH1-OE2 2.75Å; R596-E749 PolarHBondContact NH1-OE2 3.01Å; R596-E749 IonicContact NH2-OE1 3.93Å; R596-E749 PolarHBondContact NH2-OE1 3.1Å; R596-E749 IonicContact NH2-OE2 3.72Å; R596-E749 PolarHBondContact NH2-OE2 3.34Å; S747-E749 PolarHBondContact OG-N 3.47Å |
| 750 | H | 37.4 | Very low | 33.7 | Very low | 176 Ų | 176 | 101.6 Ų | 101.6 | 82% | 0.815 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.3 | 10.2 | -176.4 | -54.6 | -26.9 | 0 | 0 | 0 | 114.5 | V748 | V748-H750 PolarHBondContact O-N 2.98Š|
| 751 | L | 31.8 | Very low | 34.1 | Very low | 89 Ų | 89 | 99.1 Ų | 99.1 | 47% | 0.466 | 53% | 0.532 | S | S | . | . | trans | -90.9 | 131.1 | 175.4 | -76.1 | 167.1 | 0 | 0 | 0 | 110.9 | V748 D755 V756 | V748-L751 HydrophobicContact CG1-CD1 4.38Å; V748-L751 PolarHBondContact O-N 3.49Å; L751-D755 HydrophobicContact CB-CB 4.43Å; L751-D755 HydrophobicContact CD2-CB 3.88Å; L751-V756 HydrophobicContact CB-CG2 4.14Å | ||
| 752 | K | 35.7 | Very low | 34.4 | Very low | 140 Ų | 140 | 99.8 Ų | 99.8 | 61% | 0.609 | 54% | 0.542 | S | S | * | . | trans | -74 | 160.6 | -180 | -61.5 | 178.3 | 179 | -179.5 | 0 | 110.9 | S754 D755 V756 | K752-S754 WeakPolarHBondContact CB-OG 3.16Å; K752-S754 PolarHBondContact O-N 2.62Å; K752-D755 WeakPolarHBondContact CB-OD2 3.33Å; K752-D755 PolarHBondContact N-OD2 3.09Å; K752-D755 WeakPolarHBondContact O-CA 3.41Å; K752-D755 WeakPolarHBondContact O-CB 3.45Å; K752-D755 PolarHBondContact O-N 2.76Å; K752-V756 PolarHBondContact O-N 3.14Å | ||
| 753 | P | 36.8 | Very low | 34.8 | Very low | 88 Ų | 88 | 102.3 Ų | 102.3 | 57% | 0.571 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -54.6 | -34.8 | 172.7 | -27.6 | 35.9 | 0 | 0 | 0 | 113.2 | D755 I757 | P753-D755 VanDerWaalsContact C-N 3.25Å; P753-D755 PolarHBondContact O-N 3.06Å; P753-I757 VanDerWaalsContact O-CB 3.24Å; P753-I757 WeakPolarHBondContact O-CB 3.24Å; P753-I757 WeakPolarHBondContact O-CD1 3.46Å; P753-I757 WeakPolarHBondContact O-CG1 3.35Å; P753-I757 PolarHBondContact O-N 3.43Å |
| 754 | S | 39.3 | Very low | 35 | Very low | 60 Ų | 60 | 100.1 Ų | 100.1 | 42% | 0.42 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -57.9 | -36.1 | 170.9 | 50.1 | 0 | 0 | 0 | 0 | 113.5 | K752 Q758 | K752-S754 WeakPolarHBondContact CB-OG 3.16Å; K752-S754 PolarHBondContact O-N 2.62Å; S754-Q758 WeakPolarHBondContact O-CB 3.4Å; S754-Q758 WeakPolarHBondContact O-CG 3.44Å; S754-Q758 PolarHBondContact O-N 2.87Å |
| 755 | D | 39.4 | Very low | 35.5 | Very low | 58 Ų | 58 | 97.9 Ų | 97.9 | 31% | 0.31 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -88.1 | -33 | -170.9 | -43.4 | -19.7 | 0 | 0 | 0 | 109.7 | L751 K752 P753 Q758 L759 | L751-D755 HydrophobicContact CB-CB 4.43Å; L751-D755 HydrophobicContact CD2-CB 3.88Å; K752-D755 WeakPolarHBondContact CB-OD2 3.33Å; K752-D755 PolarHBondContact N-OD2 3.09Å; K752-D755 WeakPolarHBondContact O-CA 3.41Å; K752-D755 WeakPolarHBondContact O-CB 3.45Å; K752-D755 PolarHBondContact O-N 2.76Å; P753-D755 VanDerWaalsContact C-N 3.25Å; P753-D755 PolarHBondContact O-N 3.06Å; D755-Q758 CarbonylContact O-C 3.58Å; D755-Q758 PolarHBondContact O-N 3.21Å; D755-L759 WeakPolarHBondContact O-CB 3.45Å; D755-L759 PolarHBondContact O-N 3.2Å |
| 756 | V | 37.9 | Very low | 35.6 | Very low | 44 Ų | 44 | 97 Ų | 97 | 27% | 0.267 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.2 | -43.4 | 167.3 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | L751 K752 Q758 L759 I760 | L751-V756 HydrophobicContact CB-CG2 4.14Å; K752-V756 PolarHBondContact O-N 3.14Å; V756-Q758 VanDerWaalsContact C-N 3.34Å; V756-L759 WeakPolarHBondContact O-CB 3.35Å; V756-L759 PolarHBondContact O-N 3.42Å; V756-I760 HydrophobicContact CG1-CD1 3.97Å; V756-I760 WeakPolarHBondContact O-CB 3.47Å; V756-I760 VanDerWaalsContact O-CG1 3.3Å; V756-I760 WeakPolarHBondContact O-CG1 3.48Å; V756-I760 PolarHBondContact O-N 3.25Å |
| 757 | I | 39.1 | Very low | 35.5 | Very low | 98 Ų | 98 | 87 Ų | 87 | 50% | 0.503 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.7 | -37.9 | 172.8 | -70.4 | 166.8 | 0 | 0 | 0 | 110.5 | P753 I760 H761 | P753-I757 VanDerWaalsContact O-CB 3.24Å; P753-I757 WeakPolarHBondContact O-CB 3.24Å; P753-I757 WeakPolarHBondContact O-CD1 3.46Å; P753-I757 WeakPolarHBondContact O-CG1 3.35Å; P753-I757 PolarHBondContact O-N 3.43Å; I757-I760 PolarHBondContact O-N 2.94Å; I757-H761 VanDerWaalsContact O-CB 3.3Å; I757-H761 WeakPolarHBondContact O-CB 3.47Å; I757-H761 PolarHBondContact O-N 3.15Å |
| 758 | Q | 39.2 | Very low | 35.2 | Very low | 142 Ų | 142 | 87.3 Ų | 87.3 | 66% | 0.664 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -69.7 | -31.7 | 171 | -82.3 | -165.2 | 28.1 | 0 | 0 | 113.1 | S754 D755 V756 S762 | S754-Q758 WeakPolarHBondContact O-CB 3.4Å; S754-Q758 WeakPolarHBondContact O-CG 3.44Å; S754-Q758 PolarHBondContact O-N 2.87Å; D755-Q758 CarbonylContact O-C 3.58Å; D755-Q758 PolarHBondContact O-N 3.21Å; V756-Q758 VanDerWaalsContact C-N 3.34Å; Q758-S762 WeakPolarHBondContact O-CA 3.38Å; Q758-S762 WeakPolarHBondContact O-CB 3.31Å; Q758-S762 PolarHBondContact O-N 2.88Å |
| 759 | L | 39.4 | Very low | 34.8 | Very low | 101 Ų | 101 | 85.9 Ų | 85.9 | 53% | 0.529 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 172.2 | -162.5 | 83.8 | 0 | 0 | 0 | 109.9 | D755 V756 S762 M763 | D755-L759 WeakPolarHBondContact O-CB 3.45Å; D755-L759 PolarHBondContact O-N 3.2Å; V756-L759 WeakPolarHBondContact O-CB 3.35Å; V756-L759 PolarHBondContact O-N 3.42Å; L759-S762 PolarHBondContact O-N 3.18Å; L759-M763 HydrophobicContact CG-SD 4.44Å; L759-M763 WeakPolarHBondContact O-CB 3.42Å; L759-M763 VanDerWaalsContact O-CG 3.26Å; L759-M763 WeakPolarHBondContact O-CG 3.38Å; L759-M763 PolarHBondContact O-N 3.26Å |
| 760 | I | 36.5 | Very low | 34.5 | Very low | 55 Ų | 55 | 88.7 Ų | 88.7 | 28% | 0.282 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.3 | -45.6 | 177.3 | -69 | 166.6 | 0 | 0 | 0 | 111 | M663 V756 I757 S762 M763 I764 | M663-I760 HydrophobicContact CE-CD1 3.9Å; V756-I760 HydrophobicContact CG1-CD1 3.97Å; V756-I760 WeakPolarHBondContact O-CB 3.47Å; V756-I760 VanDerWaalsContact O-CG1 3.3Å; V756-I760 WeakPolarHBondContact O-CG1 3.48Å; V756-I760 PolarHBondContact O-N 3.25Å; I757-I760 PolarHBondContact O-N 2.94Å; I760-S762 VanDerWaalsContact C-N 3.29Å; I760-S762 PolarHBondContact O-N 2.68Å; I760-M763 CarbonylContact O-C 3.55Å; I760-M763 PolarHBondContact O-N 3.29Å; I760-I764 HydrophobicContact CG2-CD1 3.67Å; I760-I764 HydrophobicContact CG2-CG1 4.44Å; I760-I764 WeakPolarHBondContact O-CB 3.43Å; I760-I764 VanDerWaalsContact O-CG1 3.23Å; I760-I764 WeakPolarHBondContact O-CG1 3.3Å; I760-I764 PolarHBondContact O-N 2.97Å |
| 761 | H | 37.2 | Very low | 33.9 | Very low | 84 Ų | 84 | 85.7 Ų | 85.7 | 39% | 0.389 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.4 | -29.4 | 171.6 | -97.6 | -149.5 | 0 | 0 | 0 | 112.5 | I757 N765 | I757-H761 VanDerWaalsContact O-CB 3.3Å; I757-H761 WeakPolarHBondContact O-CB 3.47Å; I757-H761 PolarHBondContact O-N 3.15Å; H761-N765 WeakPolarHBondContact O-CB 3.45Å; H761-N765 VanDerWaalsContact O-CG 3.29Å; H761-N765 PolarHBondContact O-N 3.16Å; H761-N765 PolarHBondContact O-ND2 3.14Å |
| 762 | S | 38.1 | Very low | 33.6 | Very low | 78 Ų | 78 | 88.1 Ų | 88.1 | 55% | 0.545 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -73.3 | -40.3 | 174 | -176.3 | 0 | 0 | 0 | 0 | 110.3 | Q758 L759 I760 A766 | Q758-S762 WeakPolarHBondContact O-CA 3.38Å; Q758-S762 WeakPolarHBondContact O-CB 3.31Å; Q758-S762 PolarHBondContact O-N 2.88Å; L759-S762 PolarHBondContact O-N 3.18Å; I760-S762 VanDerWaalsContact C-N 3.29Å; I760-S762 PolarHBondContact O-N 2.68Å; S762-A766 WeakPolarHBondContact O-CA 3.44Å; S762-A766 WeakPolarHBondContact O-CB 3.04Å; S762-A766 PolarHBondContact O-N 3.29Å |
| 763 | M | 32.1 | Very low | 33 | Very low | 106 Ų | 106 | 90 Ų | 90 | 52% | 0.522 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 170.6 | -72.5 | 169.6 | 64 | 0 | 0 | 111.6 | L759 I760 A766 C767 | L759-M763 HydrophobicContact CG-SD 4.44Å; L759-M763 WeakPolarHBondContact O-CB 3.42Å; L759-M763 VanDerWaalsContact O-CG 3.26Å; L759-M763 WeakPolarHBondContact O-CG 3.38Å; L759-M763 PolarHBondContact O-N 3.26Å; I760-M763 CarbonylContact O-C 3.55Å; I760-M763 PolarHBondContact O-N 3.29Å; M763-A766 CarbonylContact O-C 3.59Å; M763-C767 WeakPolarHBondContact O-CB 3.49Å; M763-C767 PolarHBondContact O-N 2.85Å; M763-C767 VanDerWaalsContact O-N 3.09Å; M763-C767 PolarHBondContact O-SG 3.48Å |
| 764 | I | 34.4 | Very low | 32.4 | Very low | 69 Ų | 69 | 91.9 Ų | 91.9 | 35% | 0.354 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -75 | -35.3 | 179.5 | -69.2 | 169.8 | 0 | 0 | 0 | 112.3 | I760 C767 C768 | I760-I764 HydrophobicContact CG2-CD1 3.67Å; I760-I764 HydrophobicContact CG2-CG1 4.44Å; I760-I764 WeakPolarHBondContact O-CB 3.43Å; I760-I764 VanDerWaalsContact O-CG1 3.23Å; I760-I764 WeakPolarHBondContact O-CG1 3.3Å; I760-I764 PolarHBondContact O-N 2.97Å; I764-C767 CarbonylContact O-C 3.56Å; I764-C767 WeakPolarHBondContact O-CA 3.19Å; I764-C767 VanDerWaalsContact O-CB 3.27Å; I764-C767 WeakPolarHBondContact O-CB 3.35Å; I764-C767 PolarHBondContact O-N 2.88Å; I764-C768 PolarHBondContact O-N 3.19Å |
| 765 | N | 34.6 | Very low | 31.5 | Very low | 110 Ų | 110 | 100.3 Ų | 100.3 | 59% | 0.588 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -79.6 | -32 | 174 | -73.5 | -57.6 | 0 | 0 | 0 | 112.3 | H761 C767 C768 | H761-N765 WeakPolarHBondContact O-CB 3.45Å; H761-N765 VanDerWaalsContact O-CG 3.29Å; H761-N765 PolarHBondContact O-N 3.16Å; H761-N765 PolarHBondContact O-ND2 3.14Å; N765-C767 PolarHBondContact O-N 3.44Å; N765-C767 VanDerWaalsContact O-N 3.11Å; N765-C768 PolarHBondContact O-N 3.43Å; N765-C768 VanDerWaalsContact O-N 3.13Å |
| 766 | A | 31.1 | Very low | 30.7 | Very low | 40 Ų | 40 | 101.5 Ų | 101.5 | 33% | 0.331 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 1.7 | 157.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S762 M763 G964 R965 | S762-A766 WeakPolarHBondContact O-CA 3.44Å; S762-A766 WeakPolarHBondContact O-CB 3.04Å; S762-A766 PolarHBondContact O-N 3.29Å; M763-A766 CarbonylContact O-C 3.59Å; A766-G964 CarbonylContact O-C 3.56Å; A766-R965 PolarHBondContact O-N 3.5Å |
| 767 | C | 27.6 | Very low | 30 | Very low | 15 Ų | 15 | 106.3 Ų | 106.3 | 10% | 0.101 | 56% | 0.558 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -117.4 | 32.1 | 167.2 | -65.7 | 0 | 0 | 0 | 0 | 114.4 | M763 I764 N765 R965 P966 S967 | M763-C767 WeakPolarHBondContact O-CB 3.49Å; M763-C767 PolarHBondContact O-N 2.85Å; M763-C767 VanDerWaalsContact O-N 3.09Å; M763-C767 PolarHBondContact O-SG 3.48Å; I764-C767 CarbonylContact O-C 3.56Å; I764-C767 WeakPolarHBondContact O-CA 3.19Å; I764-C767 VanDerWaalsContact O-CB 3.27Å; I764-C767 WeakPolarHBondContact O-CB 3.35Å; I764-C767 PolarHBondContact O-N 2.88Å; N765-C767 PolarHBondContact O-N 3.44Å; N765-C767 VanDerWaalsContact O-N 3.11Å; C767-R965 CarbonylContact C-O 3.46Å; C767-R965 WeakPolarHBondContact CA-O 3.45Å; C767-R965 HydrophobicContact CB-CG 4.24Å; C767-R965 WeakPolarHBondContact SG-CD 3.17Å; C767-R965 VanDerWaalsContact SG-CG 3.6Å; C767-P966 WeakPolarHBondContact O-CA 3.37Å; C767-S967 WeakPolarHBondContact CB-OG 3.46Å; C767-S967 PolarHBondContact O-N 3.11Å; C767-S967 PolarHBondContact SG-OG 2.7Å; C767-S967 VanDerWaalsContact SG-OG 3.33Å |
| 768 | C | 25.7 | Very low | 29.2 | Very low | 81 Ų | 81 | 107.4 Ų | 107.4 | 55% | 0.547 | 57% | 0.569 | S | S | . | * | trans | -129.3 | 138.3 | 145.1 | -93.7 | 0 | 0 | 0 | 0 | 112.8 | I764 N765 R965 | I764-C768 PolarHBondContact O-N 3.19Å; N765-C768 PolarHBondContact O-N 3.43Å; N765-C768 VanDerWaalsContact O-N 3.13Å; C768-R965 CarbonylContact C-O 3.59Å; C768-R965 WeakPolarHBondContact CA-O 3.36Å; C768-R965 PolarHBondContact N-O 2.72Å | ||
| 769 | P | 27.2 | Very low | 28.4 | Very low | 66 Ų | 66 | 109.2 Ų | 109.2 | 43% | 0.429 | 58% | 0.575 | S | S | . | * | -143.4 | 99.5 | 119.2 | 38.2 | -25.3 | 0 | 0 | 0 | 114.3 | N771 R965 | P769-N771 VanDerWaalsContact C-N 3.32Å; P769-N771 PolarHBondContact O-N 2.98Å; P769-R965 VanDerWaalsContact CD-C 3.42Å; P769-R965 WeakPolarHBondContact CD-O 3.45Å | |||
| 770 | M | 23.8 | Very low | 27.5 | Very low | 163 Ų | 163 | 111.2 Ų | 111.2 | 80% | 0.803 | 59% | 0.585 | S | S | * | * | trans | -71.7 | 92.5 | 149.2 | -93.2 | -65.9 | -77.1 | 0 | 0 | 108.8 | I772 | M770-I772 HydrophobicContact CE-CD1 3.9Å; M770-I772 HydrophobicContact CE-CG1 4.39Å | ||
| 771 | N | 25.2 | Very low | 26.9 | Very low | 113 Ų | 113 | 114.4 Ų | 114.4 | 60% | 0.604 | 61% | 0.607 | S | S | * | * | trans | -99.6 | 91.6 | 180 | -161.9 | -32.4 | 0 | 0 | 0 | 110.9 | P769 K989 | P769-N771 VanDerWaalsContact C-N 3.32Å; P769-N771 PolarHBondContact O-N 2.98Å; N771-K989 PolarHBondContact O-NZ 3.03Å; N771-K989 VanDerWaalsContact O-NZ 3.14Å | ||
| 772 | I | 24.8 | Very low | 26.3 | Very low | 140 Ų | 140 | 115 Ų | 115 | 72% | 0.718 | 62% | 0.62 | S | S | * | * | trans | -106.8 | 141.3 | 163.4 | -65.7 | 178.3 | 0 | 0 | 0 | 107.4 | M770 | M770-I772 HydrophobicContact CE-CD1 3.9Å; M770-I772 HydrophobicContact CE-CG1 4.39Å | ||
| 773 | K | 23.4 | Very low | 25.5 | Very low | 180 Ų | 180 | 112.5 Ų | 112.5 | 78% | 0.783 | 61% | 0.608 | S | S | * | * | trans | -71.3 | 138.5 | -172 | -73.1 | -175.3 | 174.8 | -177.7 | 0 | 113.4 | ||||
| 774 | T | 23.5 | Very low | 25.3 | Very low | 126 Ų | 126 | 108.9 Ų | 108.9 | 77% | 0.773 | 59% | 0.594 | S | S | * | * | trans | 54.6 | 106.7 | 144.4 | 56.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 775 | R | 22 | Very low | 24.7 | Very low | 238 Ų | 238 | 110.4 Ų | 110.4 | 90% | 0.898 | 61% | 0.611 | S | S | * | * | -162.3 | 132.5 | 93.3 | -120.9 | -175.5 | 168.2 | 160.6 | -3.6 | 115.1 | |||||
| 776 | S | 22.4 | Very low | 24.1 | Very low | 82 Ų | 82 | 108.9 Ų | 108.9 | 57% | 0.573 | 62% | 0.622 | S | S | * | * | trans | 4.1 | 130.6 | 148.6 | 59 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 777 | N | 22.1 | Very low | 23.8 | Very low | 145 Ų | 145 | 112.1 Ų | 112.1 | 78% | 0.775 | 64% | 0.642 | S | S | * | * | 81.7 | 138.1 | 124.4 | -66 | -1.4 | 0 | 0 | 0 | 123.6 | |||||
| 778 | T | 22.9 | Very low | 23.6 | Very low | 121 Ų | 121 | 118.9 Ų | 118.9 | 74% | 0.742 | 68% | 0.676 | S | S | * | * | trans | 79.8 | 105.1 | 142.1 | 41.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 779 | K | 22.2 | Very low | 23.4 | Very low | 180 Ų | 180 | 120 Ų | 120 | 78% | 0.783 | 69% | 0.685 | S | S | * | * | 80.7 | 115 | 125.2 | -75.8 | -173.6 | 169 | -170.4 | 0 | 122.6 | |||||
| 780 | L | 21.8 | Very low | 23.9 | Very low | 143 Ų | 143 | 121 Ų | 121 | 75% | 0.749 | 69% | 0.692 | S | S | * | * | 79.1 | 116.7 | 126.3 | -62.7 | 170.1 | 0 | 0 | 0 | 122.6 | |||||
| 781 | V | 22.7 | Very low | 24 | Very low | 123 Ų | 123 | 117.4 Ų | 117.4 | 75% | 0.745 | 68% | 0.683 | S | S | * | * | 80.8 | 110.6 | 127.5 | 178 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 782 | S | 23.8 | Very low | 24.2 | Very low | 95 Ų | 95 | 118.4 Ų | 118.4 | 66% | 0.664 | 69% | 0.693 | S | S | * | * | trans | 39 | 147.7 | 145.3 | 75 | 0 | 0 | 0 | 0 | 124.6 | D651 | D651-S782 WeakPolarHBondContact OD2-CB 3.45Š| ||
| 783 | G | 22.4 | Very low | 24.4 | Very low | 27 Ų | 27 | 115.6 Ų | 115.6 | 28% | 0.278 | 69% | 0.69 | S | S | . | * | trans | 174.5 | 153.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | D651 T652 I653 | D651-G783 VanDerWaalsContact OD1-C 3.22Å; D651-G783 WeakPolarHBondContact OD1-CA 3.46Å; D651-G783 PolarHBondContact OD2-N 3.26Å; T652-G783 CarbonylContact C-O 3.32Å; I653-G783 WeakPolarHBondContact CD1-O 2.82Å | ||
| 784 | A | 27 | Very low | 24.5 | Very low | 29 Ų | 29 | 114.3 Ų | 114.3 | 24% | 0.24 | 69% | 0.687 | C | S | . | * | trans | -92.4 | 165.9 | -164.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | Y650 D651 | Y650-A784 HydrophobicContact CD1-CB 3.38Å; Y650-A784 HydrophobicContact CE1-CB 3.95Å; Y650-A784 HydrophobicContact CG-CB 4.15Å; D651-A784 WeakPolarHBondContact OD1-CA 3.37Å; D651-A784 WeakPolarHBondContact OD1-CB 3.36Å; D651-A784 PolarHBondContact OD1-N 3.45Å | ||
| 785 | S | 22.6 | Very low | 24.5 | Very low | 101 Ų | 101 | 117.8 Ų | 117.8 | 71% | 0.706 | 69% | 0.687 | S | S | * | * | trans | 84.7 | 150.8 | 140.4 | 74.8 | 0 | 0 | 0 | 0 | 120.2 | T652 | T652-S785 VanDerWaalsContact CB-N 3.32Å; T652-S785 PolarHBondContact OG1-N 2.79Å | ||
| 786 | G | 22.5 | Very low | 24.7 | Very low | 79 Ų | 79 | 110.8 Ų | 110.8 | 81% | 0.814 | 68% | 0.675 | S | S | * | * | trans | 117.4 | 130.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 787 | S | 24.6 | Very low | 24.8 | Very low | 108 Ų | 108 | 113.7 Ų | 113.7 | 76% | 0.755 | 69% | 0.689 | S | S | * | * | trans | -141.4 | 175.1 | -169.3 | 61.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 788 | L | 22.6 | Very low | 24.9 | Very low | 156 Ų | 156 | 110.2 Ų | 110.2 | 82% | 0.817 | 69% | 0.687 | S | S | * | * | trans | 85.2 | 164.4 | 162.6 | -64.8 | 163.4 | 0 | 0 | 0 | 120.3 | ||||
| 789 | S | 22 | Very low | 25.1 | Very low | 104 Ų | 104 | 112 Ų | 112 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | trans | -157.9 | -168.7 | -161.3 | 66.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 790 | P | 37.4 | Very low | 25.3 | Very low | 89 Ų | 89 | 109.7 Ų | 109.7 | 58% | 0.578 | 69% | 0.687 | S | S | * | * | cis | -133.7 | 162.3 | -42.2 | 33.5 | -14.9 | 0 | 0 | 0 | 116.7 | ||||
| 791 | S | 27 | Very low | 25.5 | Very low | 87 Ų | 87 | 109.7 Ų | 109.7 | 61% | 0.608 | 69% | 0.688 | S | S | * | * | trans | 68.5 | 133.8 | 141.4 | 50.1 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 792 | T | 27.8 | Very low | 25.5 | Very low | 134 Ų | 134 | 112.3 Ų | 112.3 | 82% | 0.822 | 69% | 0.692 | S | S | * | * | 170.5 | 125.1 | 109 | -69.5 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 793 | A | 29.1 | Very low | 25.6 | Very low | 80 Ų | 80 | 114.1 Ų | 114.1 | 66% | 0.661 | 70% | 0.699 | S | S | * | * | trans | 45.4 | 153.8 | 147.3 | 0 | 0 | 0 | 0 | 0 | 129.2 | ||||
| 794 | H | 26.6 | Very low | 25.7 | Very low | 154 Ų | 154 | 120.8 Ų | 120.8 | 71% | 0.713 | 73% | 0.725 | S | S | * | * | trans | 111.3 | 131.9 | 139.1 | -88.5 | -73 | 0 | 0 | 0 | 126.1 | ||||
| 795 | Y | 24 | Very low | 25.5 | Very low | 198 Ų | 198 | 128.3 Ų | 128.3 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | 77.6 | 97.5 | 151.1 | -71.9 | -63 | 0 | 0 | 0 | 127.4 | ||||
| 796 | S | 25 | Very low | 25.5 | Very low | 92 Ų | 92 | 126.8 Ų | 126.8 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | 55.5 | 148.9 | 115.2 | 73.5 | 0 | 0 | 0 | 0 | 128.6 | |||||
| 797 | T | 24.1 | Very low | 25.8 | Very low | 142 Ų | 142 | 131.9 Ų | 131.9 | 87% | 0.871 | 76% | 0.76 | S | S | * | * | trans | 76.1 | 128.1 | 153.6 | 56.1 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 798 | G | 25 | Very low | 25.7 | Very low | 72 Ų | 72 | 131 Ų | 131 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | 129 | 72.5 | 108.6 | 0 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 799 | I | 27.1 | Very low | 25.8 | Very low | 158 Ų | 158 | 133 Ų | 133 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | trans | 58.8 | 114.2 | 138.5 | -60.4 | 176.9 | 0 | 0 | 0 | 121.8 | ||||
| 800 | D | 26.3 | Very low | 25.8 | Very low | 133 Ų | 133 | 133.4 Ų | 133.4 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | 51.5 | 121.4 | 133.9 | -56.1 | 0.8 | 0 | 0 | 0 | 126.5 | ||||
| 801 | N | 26.7 | Very low | 25.1 | Very low | 143 Ų | 143 | 133.6 Ų | 133.6 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | 86 | 132 | 127.5 | -72.4 | -24 | 0 | 0 | 0 | 124.6 | |||||
| 802 | E | 22.8 | Very low | 24.9 | Very low | 177 Ų | 177 | 135.3 Ų | 135.3 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | trans | 61.9 | 144.4 | 159.9 | -63 | -174.9 | -177.3 | 0 | 0 | 117.6 | ||||
| 803 | T | 25.3 | Very low | 24.7 | Very low | 133 Ų | 133 | 136.9 Ų | 136.9 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | cis | -142.3 | 163.5 | 30.1 | -42.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 804 | M | 23.4 | Very low | 24.5 | Very low | 167 Ų | 167 | 137.8 Ų | 137.8 | 82% | 0.823 | 77% | 0.773 | S | S | * | * | trans | -70.3 | 142.5 | 168.3 | -65.1 | -168.6 | 74.1 | 0 | 0 | 112.9 | ||||
| 805 | M | 23.6 | Very low | 24.3 | Very low | 188 Ų | 188 | 136 Ų | 136 | 93% | 0.926 | 78% | 0.778 | S | S | * | * | 173.7 | 132.9 | 118.3 | -89.5 | -74.2 | -93.5 | 0 | 0 | 108.9 | |||||
| 806 | G | 23.5 | Very low | 24.3 | Very low | 69 Ų | 69 | 133 Ų | 133 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | -109.1 | 155.5 | -163.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 807 | H | 27.3 | Very low | 24.3 | Very low | 185 Ų | 185 | 135.6 Ų | 135.6 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | -135.9 | 119.2 | 166 | -98.8 | -91.1 | 0 | 0 | 0 | 112.9 | ||||
| 808 | S | 23.2 | Very low | 24.4 | Very low | 90 Ų | 90 | 133 Ų | 133 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | trans | 54.7 | 115 | 147.9 | 55.2 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 809 | K | 23.9 | Very low | 24.4 | Very low | 199 Ų | 199 | 133.8 Ų | 133.8 | 87% | 0.865 | 76% | 0.763 | S | S | * | * | 74.1 | 120.7 | 127.4 | -61 | 171.9 | -176.7 | 177.4 | 0 | 120.6 | |||||
| 810 | S | 22.5 | Very low | 24.4 | Very low | 112 Ų | 112 | 131 Ų | 131 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | 42.4 | 126.5 | 126.5 | -152.5 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 811 | S | 23.7 | Very low | 24.4 | Very low | 93 Ų | 93 | 129.5 Ų | 129.5 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | cis | -169.3 | 155.6 | 16.6 | 18.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 812 | T | 22.9 | Very low | 24.4 | Very low | 122 Ų | 122 | 128 Ų | 128 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | trans | 67.7 | 132.8 | 146 | 48.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 813 | L | 22.9 | Very low | 24.6 | Very low | 167 Ų | 167 | 120.4 Ų | 120.4 | 87% | 0.874 | 70% | 0.698 | S | S | * | * | trans | 70.5 | 134.9 | 156.8 | -63.6 | 162.3 | 0 | 0 | 0 | 117.1 | ||||
| 814 | S | 24.7 | Very low | 24.8 | Very low | 100 Ų | 100 | 120.8 Ų | 120.8 | 70% | 0.699 | 68% | 0.684 | S | S | * | * | cis | -153.1 | 139.4 | -13 | -170.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 815 | S | 22.4 | Very low | 25 | Very low | 115 Ų | 115 | 113.2 Ų | 113.2 | 80% | 0.804 | 65% | 0.647 | S | S | * | * | trans | -112.4 | 124.9 | -179.2 | -51.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 816 | V | 24.8 | Very low | 25.4 | Very low | 136 Ų | 136 | 106.8 Ų | 106.8 | 82% | 0.824 | 62% | 0.616 | S | S | * | * | trans | -127.2 | 127.9 | 168.6 | -178.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 817 | I | 25.1 | Very low | 25.9 | Very low | 147 Ų | 147 | 103.6 Ų | 103.6 | 75% | 0.754 | 58% | 0.583 | S | S | * | * | trans | -107.3 | 119.4 | -175 | -62.2 | 168 | 0 | 0 | 0 | 108 | ||||
| 818 | S | 24.7 | Very low | 26.4 | Very low | 86 Ų | 86 | 98 Ų | 98 | 60% | 0.601 | 56% | 0.558 | S | S | * | * | trans | -76.1 | 135.6 | 172.2 | -66.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 819 | V | 24.8 | Very low | 27.5 | Very low | 89 Ų | 89 | 95 Ų | 95 | 54% | 0.539 | 53% | 0.534 | S | S | . | . | trans | -118.6 | 117.7 | 177.6 | 177.8 | 0 | 0 | 0 | 0 | 109 | F821 | V819-F821 HydrophobicContact CG1-CD2 4.46Å; V819-F821 HydrophobicContact CG1-CE2 4.38Å | ||
| 820 | T | 27.7 | Very low | 28.7 | Very low | 101 Ų | 101 | 86.1 Ų | 86.1 | 62% | 0.62 | 50% | 0.496 | S | S | * | . | trans | -82.9 | 129.6 | 164.8 | 43.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 821 | F | 25.9 | Very low | 30 | Very low | 101 Ų | 101 | 81.6 Ų | 81.6 | 44% | 0.443 | 46% | 0.464 | S | S | . | . | trans | -88 | 174.1 | 169.8 | -84.8 | -94.5 | 0 | 0 | 0 | 111 | V819 H968 S969 A970 | V819-F821 HydrophobicContact CG1-CD2 4.46Å; V819-F821 HydrophobicContact CG1-CE2 4.38Å; F821-H968 VanDerWaalsContact CB-C 3.47Å; F821-H968 VanDerWaalsContact CB-O 3.22Å; F821-H968 WeakPolarHBondContact CB-O 3.35Å; F821-S969 VanDerWaalsContact C-C 3.46Å; F821-S969 VanDerWaalsContact CB-O 3.22Å; F821-S969 WeakPolarHBondContact CB-O 3.36Å; F821-S969 CarbonylContact O-C 3.57Å; F821-S969 VanDerWaalsContact O-C 3.25Å; F821-A970 CarbonylContact O-C 3.59Å; F821-A970 WeakPolarHBondContact O-CA 3.43Å; F821-A970 PolarHBondContact O-N 2.77Å | ||
| 822 | N | 27 | Very low | 31.1 | Very low | 110 Ų | 110 | 77.3 Ų | 77.3 | 59% | 0.588 | 43% | 0.434 | S | S | * | . | trans | -122.9 | 151.9 | 168.2 | -83.5 | -33.5 | 0 | 0 | 0 | 110.1 | S969 A970 N971 | N822-S969 PolarHBondContact O-N 2.81Å; N822-S969 VanDerWaalsContact O-N 3.15Å; N822-A970 VanDerWaalsContact OD1-C 3.32Å; N822-N971 HydrophobicContact CB-CB 4.47Å; N822-N971 VanDerWaalsContact CB-OD1 3.3Å; N822-N971 WeakPolarHBondContact CB-OD1 3.38Å; N822-N971 WeakPolarHBondContact OD1-CA 3.22Å; N822-N971 WeakPolarHBondContact OD1-CB 3.02Å; N822-N971 PolarHBondContact OD1-N 3.14Å; N822-N971 VanDerWaalsContact OD1-N 3.12Å; N822-N971 PolarHBondContact OD1-OD1 2.72Å | ||
| 823 | L | 28.2 | Very low | 32.3 | Very low | 18 Ų | 18 | 73.1 Ų | 73.1 | 9% | 0.094 | 41% | 0.406 | C | S | . | . | trans | -139.8 | 128.7 | 172.1 | -120.6 | -170.6 | 0 | 0 | 0 | 109.1 | L825 H968 A970 N971 | L823-L825 HydrophobicContact CD1-CD1 4.04Å; L823-L825 HydrophobicContact CD1-CD2 3.68Å; L823-L825 HydrophobicContact CD1-CG 3.66Å; L823-L825 HydrophobicContact CD2-CD2 4.09Å; L823-L825 HydrophobicContact CD2-CG 4.33Å; L823-L825 HydrophobicContact CG-CG 4.45Å; L823-H968 HydrophobicContact CD1-CB 3.71Å; L823-H968 VanDerWaalsContact CD1-ND1 3.31Å; L823-H968 WeakPolarHBondContact CD1-ND1 3.48Å; L823-H968 WeakPolarHBondContact CD2-ND1 3.44Å; L823-H968 HydrophobicContact CG-CB 3.84Å; L823-H968 WeakPolarHBondContact CG-ND1 3.5Å; L823-A970 HydrophobicContact CB-CB 4.28Å; L823-N971 PolarHBondContact N-OD1 2.77Å; L823-N971 PolarHBondContact O-ND2 2.99Å; L823-N971 PolarHBondContact O-OD1 2.96Å; L823-N971 VanDerWaalsContact O-OD1 3.12Å | ||
| 824 | R | 27.7 | Very low | 33.4 | Very low | 141 Ų | 141 | 68.6 Ų | 68.6 | 53% | 0.532 | 38% | 0.378 | S | S | . | . | trans | -97.9 | 105.1 | 154.1 | -69.5 | -175.3 | 174 | -148.7 | -1.4 | 107.7 | E612 | E612-R824 HydrophobicContact CG-CG 4.12Å; E612-R824 IonicContact OE1-CZ 3.76Å; E612-R824 IonicContact OE1-NE 2.7Å; E612-R824 PolarHBondContact OE1-NE 2.64Å; E612-R824 IonicContact OE1-NH2 3.19Å; E612-R824 PolarHBondContact OE1-NH2 2.73Å; E612-R824 IonicContact OE2-NH2 3.63Å | ||
| 825 | L | 29.4 | Very low | 34.5 | Very low | 9 Ų | 9 | 65.9 Ų | 65.9 | 5% | 0.047 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 117.5 | 163.2 | -69.7 | 173.8 | 0 | 0 | 0 | 107.3 | V611 L613 F661 I674 L823 V827 | V611-L825 PolarHBondContact N-O 2.91Å; L613-L825 HydrophobicContact CD1-CD1 4.3Å; F661-L825 HydrophobicContact CE2-CD1 3.49Å; F661-L825 VanDerWaalsContact CE2-CD1 3.49Å; F661-L825 HydrophobicContact CZ-CD1 3.7Å; I674-L825 HydrophobicContact CB-CD2 4.37Å; I674-L825 HydrophobicContact CD1-CD2 3.75Å; I674-L825 HydrophobicContact CG1-CD2 3.94Å; I674-L825 HydrophobicContact CG2-CD2 3.53Å; L823-L825 HydrophobicContact CD1-CD1 4.04Å; L823-L825 HydrophobicContact CD1-CD2 3.68Å; L823-L825 HydrophobicContact CD1-CG 3.66Å; L823-L825 HydrophobicContact CD2-CD2 4.09Å; L823-L825 HydrophobicContact CD2-CG 4.33Å; L823-L825 HydrophobicContact CG-CG 4.45Å; L825-V827 HydrophobicContact CB-CG2 3.64Å; L825-V827 HydrophobicContact CD1-CG2 4.47Å; L825-V827 PolarHBondContact O-N 2.86Å |
| 826 | L | 30.5 | Very low | 35.4 | Very low | 53 Ų | 53 | 63.2 Ų | 63.2 | 28% | 0.277 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 114.3 | 152.5 | -159.5 | 83.1 | 0 | 0 | 0 | 105.8 | P608 Q610 F673 | P608-L826 HydrophobicContact CB-CD1 4.07Å; P608-L826 HydrophobicContact CB-CD2 4.11Å; P608-L826 HydrophobicContact CB-CG 4Å; Q610-L826 HydrophobicContact CG-CD1 3.92Å; F673-L826 VanDerWaalsContact O-O 3.08Å |
| 827 | V | 34.7 | Very low | 36.2 | Very low | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 122 | 176.3 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | R609 V672 L825 F829 | R609-V827 PolarHBondContact N-O 2.78Å; R609-V827 PolarHBondContact O-N 3.01Å; V672-V827 HydrophobicContact CB-CG1 4.3Å; V672-V827 HydrophobicContact CG1-CG1 3.7Å; V672-V827 HydrophobicContact CG1-CG2 4.41Å; V672-V827 HydrophobicContact CG2-CG1 3.78Å; L825-V827 HydrophobicContact CB-CG2 3.64Å; L825-V827 HydrophobicContact CD1-CG2 4.47Å; L825-V827 PolarHBondContact O-N 2.86Å; V827-F829 HydrophobicContact CB-CD2 3.83Å; V827-F829 HydrophobicContact CB-CE2 3.58Å; V827-F829 HydrophobicContact CB-CG 4.43Å; V827-F829 HydrophobicContact CB-CZ 3.99Å; V827-F829 HydrophobicContact CG1-CB 4.39Å; V827-F829 HydrophobicContact CG1-CD1 3.67Å; V827-F829 HydrophobicContact CG1-CD2 3.46Å; V827-F829 VanDerWaalsContact CG1-CD2 3.46Å; V827-F829 HydrophobicContact CG1-CE1 3.66Å; V827-F829 HydrophobicContact CG1-CE2 3.46Å; V827-F829 VanDerWaalsContact CG1-CE2 3.46Å; V827-F829 HydrophobicContact CG1-CG 3.57Å; V827-F829 HydrophobicContact CG1-CZ 3.56Å; V827-F829 HydrophobicContact CG2-CE2 4.18Å; V827-F829 HydrophobicContact CG2-CZ 4.23Å; V827-F829 PolarHBondContact O-N 2.9Å |
| 828 | I | 37.5 | Very low | 36.8 | Very low | 66 Ų | 66 | 53.4 Ų | 53.4 | 34% | 0.338 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 96.1 | 160.1 | -52.5 | 177.7 | 0 | 0 | 0 | 106 | A606 F673 | A606-I828 HydrophobicContact CB-CG2 4.34Å; F673-I828 HydrophobicContact CB-CD1 4.26Å |
| 829 | F | 47.6 | Very low | 37.4 | Very low | 27 Ų | 27 | 51.8 Ų | 51.8 | 12% | 0.118 | 26% | 0.26 | C | S | . | . | trans | -78.3 | 141.5 | 177.4 | -81.5 | -71.3 | 0 | 0 | 0 | 110.5 | A606 V611 F661 V672 V827 P831 Y834 | A606-F829 WeakPolarHBondContact CB-O 3.06Å; V611-F829 HydrophobicContact CG2-CE2 4.03Å; F661-F829 HydrophobicContact CE1-CZ 4.37Å; V672-F829 HydrophobicContact CG2-CD1 4.27Å; V672-F829 HydrophobicContact CG2-CE1 4.4Å; V827-F829 HydrophobicContact CB-CD2 3.83Å; V827-F829 HydrophobicContact CB-CE2 3.58Å; V827-F829 HydrophobicContact CB-CG 4.43Å; V827-F829 HydrophobicContact CB-CZ 3.99Å; V827-F829 HydrophobicContact CG1-CB 4.39Å; V827-F829 HydrophobicContact CG1-CD1 3.67Å; V827-F829 HydrophobicContact CG1-CD2 3.46Å; V827-F829 VanDerWaalsContact CG1-CD2 3.46Å; V827-F829 HydrophobicContact CG1-CE1 3.66Å; V827-F829 HydrophobicContact CG1-CE2 3.46Å; V827-F829 VanDerWaalsContact CG1-CE2 3.46Å; V827-F829 HydrophobicContact CG1-CG 3.57Å; V827-F829 HydrophobicContact CG1-CZ 3.56Å; V827-F829 HydrophobicContact CG2-CE2 4.18Å; V827-F829 HydrophobicContact CG2-CZ 4.23Å; V827-F829 PolarHBondContact O-N 2.9Å; F829-P831 VanDerWaalsContact O-CD 3.31Å; F829-P831 WeakPolarHBondContact O-CD 3.04Å; F829-Y834 AromaticContact CD1-CD2 3.63Å; F829-Y834 HydrophobicContact CD1-CD2 3.63Å; F829-Y834 HydrophobicContact CD1-CG 4.16Å; F829-Y834 AromaticContact CD2-CD2 3.95Å; F829-Y834 HydrophobicContact CD2-CD2 3.95Å; F829-Y834 HydrophobicContact CD2-CE2 4.21Å; F829-Y834 HydrophobicContact CD2-CG 4.48Å; F829-Y834 AromaticContact CE1-CD2 3.49Å; F829-Y834 HydrophobicContact CE1-CD2 3.49Å; F829-Y834 VanDerWaalsContact CE1-CD2 3.49Å; F829-Y834 HydrophobicContact CE1-CE2 4.1Å; F829-Y834 HydrophobicContact CE1-CG 4.44Å; F829-Y834 AromaticContact CE2-CD2 3.81Å; F829-Y834 HydrophobicContact CE2-CD2 3.81Å; F829-Y834 AromaticContact CE2-CE2 3.75Å; F829-Y834 HydrophobicContact CE2-CE2 3.75Å; F829-Y834 AromaticContact CG-CD2 3.86Å; F829-Y834 HydrophobicContact CG-CD2 3.86Å; F829-Y834 HydrophobicContact CG-CG 4.19Å; F829-Y834 AromaticContact CZ-CD2 3.58Å; F829-Y834 HydrophobicContact CZ-CD2 3.58Å; F829-Y834 AromaticContact CZ-CE2 3.69Å; F829-Y834 HydrophobicContact CZ-CE2 3.69Å | ||
| 830 | N | 48.4 | Very low | 38 | Very low | 14 Ų | 14 | 50.8 Ų | 50.8 | 8% | 0.075 | 26% | 0.257 | C | S | . | . | trans | -70.6 | 111 | 148.8 | 178.5 | -2.9 | 0 | 0 | 0 | 106.8 | V832 Q833 Y834 | N830-V832 PolarHBondContact O-N 2.82Å; N830-V832 PolarHBondContact OD1-N 3.4Å; N830-Q833 HydrophobicContact CB-CB 4.43Å; N830-Q833 PolarHBondContact ND2-OE1 3.33Å; N830-Q833 VanDerWaalsContact ND2-OE1 3.08Å; N830-Q833 PolarHBondContact O-N 2.88Å; N830-Y834 PolarHBondContact O-N 2.86Å; N830-Y834 VanDerWaalsContact O-N 3.16Å | ||
| 831 | P | 49.6 | Very low | 38.3 | Very low | 16 Ų | 16 | 50.7 Ų | 50.7 | 10% | 0.104 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.8 | -26.2 | -168.9 | 27.7 | -36 | 0 | 0 | 0 | 112.3 | F566 M576 C602 F829 Y834 Y835 | F566-P831 HydrophobicContact CE2-CG 4.26Å; F566-P831 HydrophobicContact CZ-CB 4.32Å; F566-P831 HydrophobicContact CZ-CG 3.79Å; M576-P831 HydrophobicContact CE-CB 3.77Å; M576-P831 HydrophobicContact CE-CG 4.25Å; M576-P831 HydrophobicContact SD-CB 4.24Å; C602-P831 HydrophobicContact CB-CG 4.13Å; F829-P831 VanDerWaalsContact O-CD 3.31Å; F829-P831 WeakPolarHBondContact O-CD 3.04Å; P831-Y834 PolarHBondContact O-N 2.89Å; P831-Y835 WeakPolarHBondContact O-CD2 3.41Å; P831-Y835 PolarHBondContact O-N 2.73Å |
| 832 | V | 47 | Very low | 38.5 | Very low | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.2 | -49.7 | 176.8 | -167.3 | 0 | 0 | 0 | 0 | 110.9 | I579 E580 D583 N830 Y834 Q836 | I579-V832 HydrophobicContact CG2-CG2 3.62Å; E580-V832 HydrophobicContact CB-CG1 4.04Å; E580-V832 HydrophobicContact CG-CG1 3.74Å; D583-V832 HydrophobicContact CB-CG1 4.38Å; N830-V832 PolarHBondContact O-N 2.82Å; N830-V832 PolarHBondContact OD1-N 3.4Å; V832-Y834 VanDerWaalsContact C-N 3.33Å; V832-Y834 PolarHBondContact O-N 2.85Å; V832-Q836 WeakPolarHBondContact O-CG 3.49Å; V832-Q836 PolarHBondContact O-N 2.84Å |
| 833 | Q | 48.7 | Very low | 38.6 | Very low | 34 Ų | 34 | 51.6 Ų | 51.6 | 16% | 0.159 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.4 | -29.6 | -179.6 | -69.5 | 175.4 | -45.6 | 0 | 0 | 112.4 | N830 A837 | N830-Q833 HydrophobicContact CB-CB 4.43Å; N830-Q833 PolarHBondContact ND2-OE1 3.33Å; N830-Q833 VanDerWaalsContact ND2-OE1 3.08Å; N830-Q833 PolarHBondContact O-N 2.88Å; Q833-A837 WeakPolarHBondContact O-CB 3.49Å; Q833-A837 PolarHBondContact O-N 2.82Å |
| 834 | Y | 46.1 | Very low | 38.5 | Very low | 72 Ų | 72 | 56 Ų | 56 | 28% | 0.282 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.7 | -46.9 | 176.1 | 178.5 | -105.5 | 0 | 0 | 0 | 112.3 | F829 N830 P831 V832 A837 I838 | F829-Y834 AromaticContact CD1-CD2 3.63Å; F829-Y834 HydrophobicContact CD1-CD2 3.63Å; F829-Y834 HydrophobicContact CD1-CG 4.16Å; F829-Y834 AromaticContact CD2-CD2 3.95Å; F829-Y834 HydrophobicContact CD2-CD2 3.95Å; F829-Y834 HydrophobicContact CD2-CE2 4.21Å; F829-Y834 HydrophobicContact CD2-CG 4.48Å; F829-Y834 AromaticContact CE1-CD2 3.49Å; F829-Y834 HydrophobicContact CE1-CD2 3.49Å; F829-Y834 VanDerWaalsContact CE1-CD2 3.49Å; F829-Y834 HydrophobicContact CE1-CE2 4.1Å; F829-Y834 HydrophobicContact CE1-CG 4.44Å; F829-Y834 AromaticContact CE2-CD2 3.81Å; F829-Y834 HydrophobicContact CE2-CD2 3.81Å; F829-Y834 AromaticContact CE2-CE2 3.75Å; F829-Y834 HydrophobicContact CE2-CE2 3.75Å; F829-Y834 AromaticContact CG-CD2 3.86Å; F829-Y834 HydrophobicContact CG-CD2 3.86Å; F829-Y834 HydrophobicContact CG-CG 4.19Å; F829-Y834 AromaticContact CZ-CD2 3.58Å; F829-Y834 HydrophobicContact CZ-CD2 3.58Å; F829-Y834 AromaticContact CZ-CE2 3.69Å; F829-Y834 HydrophobicContact CZ-CE2 3.69Å; N830-Y834 PolarHBondContact O-N 2.86Å; N830-Y834 VanDerWaalsContact O-N 3.16Å; P831-Y834 PolarHBondContact O-N 2.89Å; V832-Y834 VanDerWaalsContact C-N 3.33Å; V832-Y834 PolarHBondContact O-N 2.85Å; Y834-A837 PolarHBondContact O-N 2.78Å; Y834-I838 HydrophobicContact CD1-CD1 4.04Å; Y834-I838 HydrophobicContact CE1-CD1 3.47Å; Y834-I838 VanDerWaalsContact CE1-CD1 3.47Å; Y834-I838 HydrophobicContact CE2-CD1 4.02Å; Y834-I838 VanDerWaalsContact CZ-CD1 3.47Å; Y834-I838 PolarHBondContact O-N 2.85Å; Y834-I838 VanDerWaalsContact O-N 3.12Å |
| 835 | Y | 46.3 | Very low | 38.5 | Very low | 44 Ų | 44 | 58 Ų | 58 | 17% | 0.173 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.4 | -36.4 | 177.3 | -81.5 | -73.9 | 0 | 0 | 0 | 112.7 | H573 M576 P831 A837 I838 D839 | H573-Y835 AromaticContact CD2-CD1 3.95Å; H573-Y835 AromaticContact CD2-CE1 3.56Å; M576-Y835 HydrophobicContact CB-CD2 3.96Å; M576-Y835 HydrophobicContact CB-CE2 4.06Å; M576-Y835 HydrophobicContact CE-CD2 4.08Å; M576-Y835 HydrophobicContact CG-CD2 3.99Å; M576-Y835 HydrophobicContact CG-CE2 3.72Å; P831-Y835 WeakPolarHBondContact O-CD2 3.41Å; P831-Y835 PolarHBondContact O-N 2.73Å; Y835-A837 VanDerWaalsContact C-N 3.3Å; Y835-A837 PolarHBondContact O-N 3.05Å; Y835-I838 PolarHBondContact O-N 2.72Å; Y835-I838 VanDerWaalsContact O-N 3.11Å; Y835-D839 PolarHBondContact O-N 3.3Å |
| 836 | Q | 42.7 | Very low | 38.3 | Very low | 58 Ų | 58 | 64 Ų | 64 | 27% | 0.271 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.7 | -40.1 | 171.4 | -74.9 | -178.9 | -31.6 | 0 | 0 | 112.5 | E580 V832 S840 | E580-Q836 VanDerWaalsContact CD-NE2 3.29Å; E580-Q836 HydrophobicContact CG-CG 3.79Å; E580-Q836 VanDerWaalsContact CG-NE2 3.34Å; E580-Q836 WeakPolarHBondContact OE1-CG 3.37Å; E580-Q836 PolarHBondContact OE1-NE2 2.76Å; V832-Q836 WeakPolarHBondContact O-CG 3.49Å; V832-Q836 PolarHBondContact O-N 2.84Å; Q836-S840 WeakPolarHBondContact O-CB 3.45Å; Q836-S840 PolarHBondContact O-N 2.96Å; Q836-S840 VanDerWaalsContact O-N 3.15Å; Q836-S840 PolarHBondContact O-OG 3.11Å |
| 837 | A | 40 | Very low | 38 | Very low | 29 Ų | 29 | 65.9 Ų | 65.9 | 24% | 0.24 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.1 | -36.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q833 Y834 Y835 S840 L841 | Q833-A837 WeakPolarHBondContact O-CB 3.49Å; Q833-A837 PolarHBondContact O-N 2.82Å; Y834-A837 PolarHBondContact O-N 2.78Å; Y835-A837 VanDerWaalsContact C-N 3.3Å; Y835-A837 PolarHBondContact O-N 3.05Å; A837-S840 WeakPolarHBondContact CA-OG 3.3Å; A837-S840 PolarHBondContact O-OG 2.93Å; A837-S840 VanDerWaalsContact O-OG 3.13Å; A837-L841 WeakPolarHBondContact O-CB 3.42Å; A837-L841 WeakPolarHBondContact O-CD1 3.32Å; A837-L841 VanDerWaalsContact O-CG 3.22Å; A837-L841 WeakPolarHBondContact O-CG 3.41Å; A837-L841 PolarHBondContact O-N 3.09Å |
| 838 | I | 38.9 | Very low | 37.6 | Very low | 48 Ų | 48 | 74.7 Ų | 74.7 | 25% | 0.246 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -73.1 | -44.6 | 178.9 | -72.7 | 175 | 0 | 0 | 0 | 112.3 | Y834 Y835 S840 L841 N842 | Y834-I838 HydrophobicContact CD1-CD1 4.04Å; Y834-I838 HydrophobicContact CE1-CD1 3.47Å; Y834-I838 VanDerWaalsContact CE1-CD1 3.47Å; Y834-I838 HydrophobicContact CE2-CD1 4.02Å; Y834-I838 VanDerWaalsContact CZ-CD1 3.47Å; Y834-I838 PolarHBondContact O-N 2.85Å; Y834-I838 VanDerWaalsContact O-N 3.12Å; Y835-I838 PolarHBondContact O-N 2.72Å; Y835-I838 VanDerWaalsContact O-N 3.11Å; I838-S840 VanDerWaalsContact C-N 3.28Å; I838-S840 PolarHBondContact O-N 2.82Å; I838-L841 PolarHBondContact O-N 2.78Å; I838-N842 PolarHBondContact O-N 2.82Å; I838-N842 PolarHBondContact O-ND2 2.77Å |
| 839 | D | 37.6 | Very low | 37.1 | Very low | 52 Ų | 52 | 77.7 Ų | 77.7 | 28% | 0.278 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -67.9 | -29.2 | 178 | -100.4 | 12.2 | 0 | 0 | 0 | 112.3 | K577 Y835 T843 | K577-D839 WeakPolarHBondContact CE-OD2 3.47Å; K577-D839 IonicContact NZ-OD1 3.2Å; K577-D839 IonicContact NZ-OD2 3.78Å; K577-D839 PolarHBondContact NZ-OD2 2.86Å; Y835-D839 PolarHBondContact O-N 3.3Å; D839-T843 WeakPolarHBondContact O-CG2 3.36Å; D839-T843 PolarHBondContact O-OG1 2.78Å |
| 840 | S | 37.5 | Very low | 35.9 | Very low | 68 Ų | 68 | 81 Ų | 81 | 48% | 0.476 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -75.8 | -30.8 | 170.8 | 52.2 | 0 | 0 | 0 | 0 | 113.6 | Q836 A837 I838 T843 | Q836-S840 WeakPolarHBondContact O-CB 3.45Å; Q836-S840 PolarHBondContact O-N 2.96Å; Q836-S840 VanDerWaalsContact O-N 3.15Å; Q836-S840 PolarHBondContact O-OG 3.11Å; A837-S840 WeakPolarHBondContact CA-OG 3.3Å; A837-S840 PolarHBondContact O-OG 2.93Å; A837-S840 VanDerWaalsContact O-OG 3.13Å; I838-S840 VanDerWaalsContact C-N 3.28Å; I838-S840 PolarHBondContact O-N 2.82Å; S840-T843 WeakPolarHBondContact CA-OG1 3.5Å; S840-T843 PolarHBondContact O-N 2.78Å; S840-T843 PolarHBondContact O-OG1 2.92Å |
| 841 | L | 32.5 | Very low | 34.7 | Very low | 100 Ų | 100 | 87.8 Ų | 87.8 | 52% | 0.524 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.7 | -37.7 | 168.3 | -77.2 | 165.6 | 0 | 0 | 0 | 111.9 | A837 I838 T843 T844 | A837-L841 WeakPolarHBondContact O-CB 3.42Å; A837-L841 WeakPolarHBondContact O-CD1 3.32Å; A837-L841 VanDerWaalsContact O-CG 3.22Å; A837-L841 WeakPolarHBondContact O-CG 3.41Å; A837-L841 PolarHBondContact O-N 3.09Å; I838-L841 PolarHBondContact O-N 2.78Å; L841-T843 PolarHBondContact O-N 2.84Å; L841-T844 PolarHBondContact O-OG1 2.74Å |
| 842 | N | 30.5 | Very low | 33.8 | Very low | 121 Ų | 121 | 92.6 Ų | 92.6 | 65% | 0.647 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -7.1 | 178.9 | -74.4 | -30.3 | 0 | 0 | 0 | 114.7 | I838 | I838-N842 PolarHBondContact O-N 2.82Å; I838-N842 PolarHBondContact O-ND2 2.77Å |
| 843 | T | 28.5 | Very low | 33.6 | Very low | 108 Ų | 108 | 97.7 Ų | 97.7 | 66% | 0.663 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.8 | 36.8 | -169.9 | 44.8 | 0 | 0 | 0 | 0 | 114.6 | D839 S840 L841 | D839-T843 WeakPolarHBondContact O-CG2 3.36Å; D839-T843 PolarHBondContact O-OG1 2.78Å; S840-T843 WeakPolarHBondContact CA-OG1 3.5Å; S840-T843 PolarHBondContact O-N 2.78Å; S840-T843 PolarHBondContact O-OG1 2.92Å; L841-T843 PolarHBondContact O-N 2.84Å |
| 844 | T | 27.1 | Very low | 32.4 | Very low | 110 Ų | 110 | 103 Ų | 103 | 68% | 0.675 | 58% | 0.582 | S | S | * | * | trans | -124.4 | 56.2 | -177 | 49.5 | 0 | 0 | 0 | 0 | 116.6 | L841 | L841-T844 PolarHBondContact O-OG1 2.74Š| ||
| 845 | H | 26.7 | Very low | 31.4 | Very low | 185 Ų | 185 | 105.6 Ų | 105.6 | 86% | 0.856 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -146.1 | 121.5 | 150.1 | -95.5 | -90.2 | 0 | 0 | 0 | 107.1 | ||
| 846 | T | 25 | Very low | 30.6 | Very low | 135 Ų | 135 | 112.5 Ų | 112.5 | 83% | 0.828 | 63% | 0.631 | S | S | * | * | cis | -136.2 | 164.9 | 7.9 | 46.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 847 | A | 26 | Very low | 29.7 | Very low | 92 Ų | 92 | 114.9 Ų | 114.9 | 76% | 0.76 | 65% | 0.65 | S | S | * | * | trans | -129.6 | 173.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 848 | Q | 25.7 | Very low | 29 | Very low | 186 Ų | 186 | 119.3 Ų | 119.3 | 87% | 0.869 | 67% | 0.674 | S | S | * | * | trans | 79.5 | 140.8 | 172.3 | -51.6 | -176.7 | -15.1 | 0 | 0 | 115.5 | ||||
| 849 | T | 26 | Very low | 28.3 | Very low | 129 Ų | 129 | 123.6 Ų | 123.6 | 79% | 0.791 | 70% | 0.697 | S | S | * | * | cis | -150.9 | -174.1 | -0.4 | -9.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 850 | S | 22.7 | Very low | 27.7 | Very low | 98 Ų | 98 | 126 Ų | 126 | 69% | 0.685 | 71% | 0.714 | S | S | * | * | cis | -161 | 144.8 | 0.4 | 32.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 851 | M | 23.1 | Very low | 26.9 | Very low | 155 Ų | 155 | 131.9 Ų | 131.9 | 76% | 0.764 | 73% | 0.727 | S | S | * | * | 63.4 | 103.1 | 67.3 | -60.9 | -64.2 | 148.1 | 0 | 0 | 113.4 | |||||
| 852 | T | 31.3 | Very low | 26.5 | Very low | 117 Ų | 117 | 135 Ų | 135 | 72% | 0.718 | 74% | 0.739 | S | S | * | * | 74.7 | 174.8 | 67.8 | 69 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 853 | P | 42.1 | Very low | 26 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 72% | 0.721 | 74% | 0.741 | S | S | * | * | cis | -133.8 | -139 | -8.9 | 43.3 | -23.5 | 0 | 0 | 0 | 113.1 | ||||
| 854 | I | 24.7 | Very low | 25.7 | Very low | 146 Ų | 146 | 136.6 Ų | 136.6 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | trans | 117.6 | 133.5 | 162.3 | -67.1 | 175.2 | 0 | 0 | 0 | 114.9 | ||||
| 855 | N | 24.9 | Very low | 25.5 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 67% | 0.674 | 75% | 0.753 | S | S | * | * | cis | -166.8 | 152.7 | -21.8 | -103.6 | -14.5 | 0 | 0 | 0 | 111.5 | ||||
| 856 | K | 28.5 | Very low | 25.2 | Very low | 189 Ų | 189 | 136.2 Ų | 136.2 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | 174.6 | 101.7 | 128.4 | -97 | 179.3 | 179.2 | -179 | 0 | 109.9 | |||||
| 857 | T | 24.2 | Very low | 25 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 66% | 0.663 | 74% | 0.741 | S | S | * | * | 69.4 | 137.2 | 92.1 | 59.4 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 858 | T | 25.7 | Very low | 25.2 | Very low | 121 Ų | 121 | 141.3 Ų | 141.3 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | cis | -152.7 | 141.2 | 27 | -21.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 859 | N | 23.4 | Very low | 25.1 | Very low | 139 Ų | 139 | 138.2 Ų | 138.2 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | 60.1 | 142 | 55.3 | -86.9 | 6 | 0 | 0 | 0 | 114.6 | |||||
| 860 | V | 25.6 | Very low | 24.9 | Very low | 102 Ų | 102 | 140 Ų | 140 | 62% | 0.618 | 74% | 0.738 | S | S | * | * | cis | -168 | -170.8 | -20.2 | 99.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 861 | Y | 20.8 | Very low | 24.8 | Very low | 191 Ų | 191 | 139.8 Ų | 139.8 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | trans | 80.3 | 156.1 | -179.3 | -52.3 | -76.7 | 0 | 0 | 0 | 115.6 | I863 | Y861-I863 HydrophobicContact CD1-CD1 4.31Š| ||
| 862 | Q | 23.4 | Very low | 24.9 | Very low | 167 Ų | 167 | 140.1 Ų | 140.1 | 78% | 0.78 | 73% | 0.73 | S | S | * | * | cis | -110.2 | 156.2 | -6.2 | -104.1 | 107.6 | -44.1 | 0 | 0 | 109.9 | ||||
| 863 | I | 20.6 | Very low | 24.5 | Very low | 136 Ų | 136 | 143.6 Ų | 143.6 | 70% | 0.697 | 74% | 0.735 | S | S | * | * | 70.1 | 136.5 | 58.5 | -59.1 | 176 | 0 | 0 | 0 | 114.4 | Y861 | Y861-I863 HydrophobicContact CD1-CD1 4.31Š| |||
| 864 | V | 22.1 | Very low | 23.5 | Very low | 125 Ų | 125 | 142.6 Ų | 142.6 | 76% | 0.758 | 73% | 0.731 | S | S | * | * | trans | -27.2 | 132.9 | 168.3 | 178.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 865 | D | 22.9 | Very low | 23.6 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 83% | 0.834 | 73% | 0.732 | S | S | * | * | trans | -153.2 | 165.3 | 137.5 | -115.5 | -27.2 | 0 | 0 | 0 | 112.3 | ||||
| 866 | D | 20.6 | Very low | 23.7 | Very low | 131 Ų | 131 | 141 Ų | 141 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | trans | -60.4 | 147.9 | -166.5 | -83.8 | -38.1 | 0 | 0 | 0 | 115.7 | ||||
| 867 | L | 21.5 | Very low | 23.6 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | S | Bend | 57.4 | 95.5 | 61.4 | -98.8 | 173.7 | 0 | 0 | 0 | 115.7 | T869 | L867-T869 PolarHBondContact O-N 3.2Š| |
| 868 | K | 28.4 | Very low | 23.7 | Very low | 195 Ų | 195 | 135.7 Ų | 135.7 | 85% | 0.848 | 73% | 0.726 | S | S | * | * | trans | 40.6 | 66.5 | 151.3 | -76.6 | -171.4 | 170.8 | -179.1 | 0 | 118.1 | ||||
| 869 | T | 23.7 | Very low | 23.7 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 74% | 0.742 | 72% | 0.724 | S | S | * | * | trans | -132.5 | 148.4 | 135.6 | 59 | 0 | 0 | 0 | 0 | 107.9 | L867 | L867-T869 PolarHBondContact O-N 3.2Š| ||
| 870 | H | 22.1 | Very low | 23.8 | Very low | 165 Ų | 165 | 135.8 Ų | 135.8 | 76% | 0.764 | 72% | 0.72 | S | S | * | * | cis | -161.6 | 158 | -13.5 | -109.6 | -13.9 | 0 | 0 | 0 | 105.2 | ||||
| 871 | V | 22.1 | Very low | 23.7 | Very low | 94 Ų | 94 | 136 Ų | 136 | 57% | 0.57 | 72% | 0.722 | S | S | * | * | cis | -174.4 | 177.2 | -10 | 64.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 872 | K | 23.4 | Very low | 23.8 | Very low | 163 Ų | 163 | 133.5 Ų | 133.5 | 71% | 0.709 | 72% | 0.721 | S | S | * | * | trans | 67.9 | 114.9 | 162.4 | -71.1 | 161.2 | -155.7 | 166.9 | 0 | 116.9 | ||||
| 873 | K | 23.2 | Very low | 23.7 | Very low | 190 Ų | 190 | 131.4 Ų | 131.4 | 83% | 0.826 | 72% | 0.715 | S | S | * | * | trans | 74.2 | 144.8 | 130.2 | -64.6 | 179.2 | 176.9 | -169.7 | 0 | 118.9 | ||||
| 874 | S | 22.7 | Very low | 23.8 | Very low | 89 Ų | 89 | 131.2 Ų | 131.2 | 62% | 0.622 | 72% | 0.716 | S | S | * | * | cis | -168.6 | 137.5 | -15.6 | 49.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 875 | T | 24.8 | Very low | 23.9 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | 34.4 | 134.4 | 84.1 | 63.2 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 876 | P | 28.9 | Very low | 23.8 | Very low | 112 Ų | 112 | 133 Ų | 133 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | cis | -135.2 | 160.6 | 43.1 | 47.2 | -31.9 | 0 | 0 | 0 | 113.8 | ||||
| 877 | S | 25.7 | Very low | 23.9 | Very low | 95 Ų | 95 | 130.5 Ų | 130.5 | 66% | 0.664 | 72% | 0.72 | S | S | * | * | 59.6 | 151.4 | 102.1 | 92.6 | 0 | 0 | 0 | 0 | 115 | |||||
| 878 | S | 26.4 | Very low | 23.9 | Very low | 92 Ų | 92 | 131.4 Ų | 131.4 | 64% | 0.643 | 73% | 0.726 | S | S | * | * | cis | -176.2 | 168.9 | 37.5 | 4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 879 | N | 25 | Very low | 23.6 | Very low | 130 Ų | 130 | 128.7 Ų | 128.7 | 70% | 0.695 | 72% | 0.721 | S | S | * | * | cis | -170.4 | 170.6 | 0.1 | -101.8 | -4.6 | 0 | 0 | 0 | 105.8 | ||||
| 880 | I | 25.6 | Very low | 23.6 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 67% | 0.672 | 73% | 0.725 | S | S | * | * | cis | -152.2 | 135.2 | -2.4 | -121.9 | 162.1 | 0 | 0 | 0 | 104.7 | ||||
| 881 | T | 23.5 | Very low | 23.7 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 65% | 0.65 | 73% | 0.731 | S | S | * | * | 75.7 | 141.5 | 51.4 | -28.5 | 0 | 0 | 0 | 0 | 115 | |||||
| 882 | L | 22.4 | Very low | 23.7 | Very low | 139 Ų | 139 | 132.1 Ų | 132.1 | 73% | 0.728 | 74% | 0.736 | S | S | * | * | trans | 74.1 | 146 | 166.4 | -46.8 | 178.2 | 0 | 0 | 0 | 116.5 | ||||
| 883 | N | 21.7 | Very low | 23.6 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 66% | 0.658 | 74% | 0.741 | S | S | * | * | cis | -165.7 | 173.7 | -14 | -119.9 | 5.9 | 0 | 0 | 0 | 113.5 | ||||
| 884 | N | 24.2 | Very low | 23.7 | Very low | 133 Ų | 133 | 131.4 Ų | 131.4 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | trans | 66.3 | 105.7 | 148.9 | -65.2 | -0.6 | 0 | 0 | 0 | 121.6 | ||||
| 885 | H | 22.2 | Very low | 23.6 | Very low | 169 Ų | 169 | 135.7 Ų | 135.7 | 78% | 0.782 | 75% | 0.747 | S | S | * | * | 26.2 | 141.2 | 114.4 | -98.5 | -82 | 0 | 0 | 0 | 122.9 | |||||
| 886 | D | 21.2 | Very low | 23.6 | Very low | 149 Ų | 149 | 138.9 Ų | 138.9 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | 72.5 | 124.7 | 150.4 | -57.3 | -19.8 | 0 | 0 | 0 | 120.4 | ||||
| 887 | G | 23.4 | Very low | 23.3 | Very low | 79 Ų | 79 | 141.5 Ų | 141.5 | 81% | 0.814 | 76% | 0.757 | S | S | * | * | trans | 171.6 | 99.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 888 | N | 21.9 | Very low | 23.2 | Very low | 159 Ų | 159 | 142.1 Ų | 142.1 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | trans | -88.1 | 168.8 | 176.3 | -94.8 | -30.5 | 0 | 0 | 0 | 112.4 | ||||
| 889 | N | 22.3 | Very low | 22.9 | Very low | 138 Ų | 138 | 145.5 Ų | 145.5 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | trans | 85.6 | 112.4 | 163.8 | -58 | -12.4 | 0 | 0 | 0 | 119 | ||||
| 890 | E | 22.2 | Very low | 23.5 | Very low | 176 Ų | 176 | 144.8 Ų | 144.8 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | 37.1 | 128.1 | 123.5 | -53.4 | -172.2 | 142.1 | 0 | 0 | 120.9 | |||||
| 891 | I | 25.1 | Very low | 23.4 | Very low | 176 Ų | 176 | 145.4 Ų | 145.4 | 90% | 0.903 | 78% | 0.784 | S | S | * | * | -165.3 | 158.5 | 118.1 | -101.7 | 156.9 | 0 | 0 | 0 | 112.5 | |||||
| 892 | C | 21.8 | Very low | 23.2 | Very low | 100 Ų | 100 | 144.2 Ų | 144.2 | 68% | 0.676 | 78% | 0.78 | S | S | * | * | trans | -55 | 147.2 | -178.8 | -84.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 893 | R | 20.9 | Very low | 23.2 | Very low | 216 Ų | 216 | 144.6 Ų | 144.6 | 82% | 0.815 | 78% | 0.782 | S | S | * | * | 50.8 | 139 | 82.7 | -61.7 | 179.8 | 174.7 | -176.7 | 2.1 | 113.5 | |||||
| 894 | P | 25.9 | Very low | 23.2 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | cis | -112.2 | 160.7 | 30.6 | 10.9 | 13.1 | 0 | 0 | 0 | 114 | ||||
| 895 | K | 21.4 | Very low | 23.3 | Very low | 179 Ų | 179 | 144.9 Ų | 144.9 | 78% | 0.778 | 79% | 0.79 | S | S | * | * | 65.8 | 96.2 | 56.6 | -97.6 | -165.3 | 179 | -169.9 | 0 | 114.9 | |||||
| 896 | M | 24.1 | Very low | 23.5 | Very low | 193 Ų | 193 | 141.4 Ų | 141.4 | 95% | 0.951 | 78% | 0.782 | S | S | * | * | trans | -132.9 | 156.9 | 146.5 | -104.5 | -166.1 | 170.3 | 0 | 0 | 110.9 | ||||
| 897 | H | 23.3 | Very low | 23.5 | Very low | 167 Ų | 167 | 141.8 Ų | 141.8 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -90.1 | 168.3 | 179.8 | -69.9 | -125.9 | 0 | 0 | 0 | 109.1 | ||||
| 898 | S | 22 | Very low | 23.4 | Very low | 109 Ų | 109 | 145 Ų | 145 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | cis | -160.6 | 172.5 | 1.2 | 18.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 899 | L | 21 | Very low | 23.5 | Very low | 163 Ų | 163 | 143.7 Ų | 143.7 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | trans | -17.8 | 163.2 | 155.6 | -79.2 | 164.2 | 0 | 0 | 0 | 119.9 | ||||
| 900 | P | 38.3 | Very low | 23.5 | Very low | 115 Ų | 115 | 141.8 Ų | 141.8 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | -111 | 177.2 | -118.7 | 42.9 | -39.4 | 0 | 0 | 0 | 114.5 | |||||
| 901 | T | 21.9 | Very low | 23.6 | Very low | 143 Ų | 143 | 141.9 Ų | 141.9 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | trans | -136.6 | 147.1 | 172.9 | 2.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 902 | S | 21 | Very low | 23.6 | Very low | 81 Ų | 81 | 142.5 Ų | 142.5 | 57% | 0.566 | 76% | 0.762 | S | S | * | * | trans | -106 | 171.6 | 170 | 50.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 903 | I | 21.7 | Very low | 23.5 | Very low | 147 Ų | 147 | 142.2 Ų | 142.2 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | trans | 65.6 | 109.5 | 159.1 | -61.6 | 158.1 | 0 | 0 | 0 | 117.6 | ||||
| 904 | S | 21.7 | Very low | 23.7 | Very low | 106 Ų | 106 | 137.8 Ų | 137.8 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | trans | -171.7 | 137.6 | 150.6 | 57.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 905 | I | 26.2 | Very low | 23.6 | Very low | 156 Ų | 156 | 138 Ų | 138 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | cis | -154.3 | 157.1 | 1.8 | -109.9 | 160.3 | 0 | 0 | 0 | 107.3 | ||||
| 906 | P | 25.7 | Very low | 23.9 | Very low | 96 Ų | 96 | 131 Ų | 131 | 62% | 0.623 | 72% | 0.721 | S | S | * | * | trans | -85.8 | -175.6 | 178.2 | 37.5 | -38.7 | 0 | 0 | 0 | 114.3 | ||||
| 907 | D | 20.8 | Very low | 24 | Very low | 157 Ų | 157 | 127.1 Ų | 127.1 | 84% | 0.84 | 70% | 0.7 | S | S | * | * | trans | 80.4 | 146.8 | 155.5 | -58.2 | -32.9 | 0 | 0 | 0 | 122.1 | ||||
| 908 | D | 22 | Very low | 24 | Very low | 148 Ų | 148 | 125.7 Ų | 125.7 | 79% | 0.791 | 69% | 0.694 | S | S | * | * | trans | -78.2 | 157 | -174.1 | -87.3 | -59.6 | 0 | 0 | 0 | 114.4 | ||||
| 909 | L | 23.9 | Very low | 24 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 68% | 0.681 | 70% | 0.697 | S | S | * | * | -159.6 | 161 | 120.5 | -110.4 | 170.2 | 0 | 0 | 0 | 111 | R1434 | L909-R1434 VanDerWaalsContact C-NH2 3.34Å; L909-R1434 PolarHBondContact O-NE 2.86Å; L909-R1434 PolarHBondContact O-NH2 3.1Å; L909-R1434 VanDerWaalsContact O-NH2 3.13Å | |||
| 910 | V | 23.1 | Very low | 24.2 | Very low | 99 Ų | 99 | 126.2 Ų | 126.2 | 60% | 0.6 | 69% | 0.692 | S | S | * | * | trans | -102 | 175.8 | -160.9 | -171.8 | 0 | 0 | 0 | 0 | 112.3 | R1434 | V910-R1434 PolarHBondContact O-NH2 2.89Š| ||
| 911 | K | 23.7 | Very low | 23.9 | Very low | 178 Ų | 178 | 126 Ų | 126 | 77% | 0.774 | 69% | 0.691 | S | S | * | * | trans | 105.5 | 126.6 | 152.5 | -63.1 | -172.8 | 175.7 | 178.5 | 0 | 118.9 | ||||
| 912 | K | 24.3 | Very low | 24 | Very low | 189 Ų | 189 | 123.4 Ų | 123.4 | 82% | 0.822 | 68% | 0.678 | S | S | * | * | trans | 65.9 | 97.4 | 154.6 | -68.4 | -164.9 | 171.1 | -167.1 | 0 | 120.5 | ||||
| 913 | S | 21.1 | Very low | 24.1 | Very low | 93 Ų | 93 | 126.4 Ų | 126.4 | 65% | 0.65 | 69% | 0.693 | S | S | * | * | 32.2 | 128.3 | 112.5 | 61.2 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 914 | N | 25.5 | Very low | 24.2 | Very low | 123 Ų | 123 | 123.9 Ų | 123.9 | 66% | 0.658 | 69% | 0.685 | S | S | * | * | -136.5 | 152.7 | 67.5 | -79.9 | -8.8 | 0 | 0 | 0 | 115.9 | |||||
| 915 | D | 23.1 | Very low | 24.2 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 68% | 0.679 | 70% | 0.695 | S | S | * | * | trans | -98 | 174.1 | 155.2 | -109 | -43.5 | 0 | 0 | 0 | 107.8 | ||||
| 916 | P | 28 | Very low | 24 | Very low | 30 Ų | 30 | 127 Ų | 127 | 20% | 0.195 | 69% | 0.693 | C | S | . | * | cis | -132.7 | -169.3 | 19.9 | 25 | 2.2 | 0 | 0 | 0 | 112.7 | Q918 E1375 | P916-Q918 HydrophobicContact CB-CG 4.45Å; P916-E1375 VanDerWaalsContact CD-CA 3.42Å | ||
| 917 | H | 25.7 | Very low | 23.8 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 52% | 0.519 | 70% | 0.698 | S | S | . | * | cis | -120.9 | 135.3 | 12.4 | -76.6 | -135.8 | 0 | 0 | 0 | 110.1 | R1374 E1375 | H917-R1374 VanDerWaalsContact CD2-CA 3.45Å; H917-R1374 WeakPolarHBondContact CD2-CA 3.42Å; H917-R1374 WeakPolarHBondContact NE2-CA 3.49Å; H917-R1374 PolarHBondContact NE2-N 2.88Å; H917-E1375 PolarHBondContact NE2-N 3.2Å | ||
| 918 | Q | 22.6 | Very low | 23.9 | Very low | 137 Ų | 137 | 130.2 Ų | 130.2 | 64% | 0.64 | 70% | 0.701 | S | S | * | * | 69.7 | 138.5 | 63.5 | -75.9 | -158.1 | 4.7 | 0 | 0 | 115.5 | P916 | P916-Q918 HydrophobicContact CB-CG 4.45Š| |||
| 919 | Q | 23.4 | Very low | 23.9 | Very low | 177 Ų | 177 | 131.8 Ų | 131.8 | 83% | 0.827 | 71% | 0.706 | S | S | * | * | trans | 69.7 | 49.6 | 162.7 | -63.3 | -176 | 50.1 | 0 | 0 | 118.4 | ||||
| 920 | S | 24.3 | Very low | 23.9 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 75% | 0.748 | 70% | 0.703 | S | S | * | * | -85.4 | -178.9 | 127.1 | 67.6 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 921 | P | 33.2 | Very low | 23.9 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 72% | 0.721 | 70% | 0.7 | S | S | * | * | cis | -133.1 | -169.6 | -41.4 | 26.6 | -5.1 | 0 | 0 | 0 | 111.4 | ||||
| 922 | S | 22.5 | Very low | 23.9 | Very low | 87 Ų | 87 | 126.5 Ų | 126.5 | 61% | 0.608 | 70% | 0.698 | S | S | * | * | 142.2 | 96.8 | 119.6 | -61.9 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 923 | T | 23.4 | Very low | 24 | Very low | 144 Ų | 144 | 121.8 Ų | 121.8 | 88% | 0.883 | 69% | 0.687 | S | S | * | * | S | Bend | -145.4 | 80.3 | 119.6 | -69.2 | 0 | 0 | 0 | 0 | 105.7 | |||
| 924 | V | 24.1 | Very low | 24.2 | Very low | 95 Ų | 95 | 121.1 Ų | 121.1 | 58% | 0.576 | 68% | 0.683 | S | S | * | * | 74.2 | 90.9 | 88.3 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | L926 | V924-L926 HydrophobicContact CG1-CD1 4.45Å; V924-L926 HydrophobicContact CG1-CG 3.84Å; V924-L926 PolarHBondContact O-N 3Å | |||
| 925 | L | 21.5 | Very low | 24.2 | Very low | 184 Ų | 184 | 118.4 Ų | 118.4 | 96% | 0.963 | 67% | 0.665 | S | S | * | * | trans | -70.9 | 101.6 | 155.3 | -77.8 | 163.6 | 0 | 0 | 0 | 108.3 | ||||
| 926 | L | 21.1 | Very low | 24.2 | Very low | 144 Ų | 144 | 117.1 Ų | 117.1 | 75% | 0.754 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 138.2 | 167.3 | -90.3 | 165.1 | 0 | 0 | 0 | 110.2 | V924 | V924-L926 HydrophobicContact CG1-CD1 4.45Å; V924-L926 HydrophobicContact CG1-CG 3.84Å; V924-L926 PolarHBondContact O-N 3Å |
| 927 | P | 23.5 | Very low | 23.9 | Very low | 111 Ų | 111 | 119.6 Ų | 119.6 | 72% | 0.721 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 166.2 | 177.3 | 33.5 | -35.1 | 0 | 0 | 0 | 111.9 | M929 | P927-M929 PolarHBondContact O-N 3.31Š|
| 928 | K | 22.4 | Very low | 23.8 | Very low | 208 Ų | 208 | 119 Ų | 119 | 90% | 0.904 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 131.1 | -179.2 | -60.9 | 179.5 | 176.7 | -174.3 | 0 | 112.7 | ||
| 929 | M | 21.8 | Very low | 24 | Very low | 182 Ų | 182 | 114.9 Ų | 114.9 | 90% | 0.897 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 147.5 | 156.8 | -80.3 | -173.4 | 159.2 | 0 | 0 | 110.7 | P927 | P927-M929 PolarHBondContact O-N 3.31Š|
| 930 | P | 23.8 | Very low | 24.1 | Very low | 97 Ų | 97 | 111 Ų | 111 | 63% | 0.63 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 131.3 | 172.8 | 35.5 | -29.2 | 0 | 0 | 0 | 112.1 | ||
| 931 | T | 23.1 | Very low | 24.5 | Very low | 88 Ų | 88 | 109.4 Ų | 109.4 | 54% | 0.54 | 65% | 0.653 | S | S | . | * | trans | -130.2 | 164.5 | 162.2 | 57.8 | 0 | 0 | 0 | 0 | 108 | C933 D1281 | T931-C933 PolarHBondContact O-N 3.49Å; T931-C933 PolarHBondContact O-SG 2.96Å; T931-D1281 HydrophobicContact CG2-CB 4.29Å | ||
| 932 | P | 24 | Very low | 24.5 | Very low | 110 Ų | 110 | 106.5 Ų | 106.5 | 71% | 0.714 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -52.2 | 98.5 | -132.7 | 23.8 | -35.4 | 0 | 0 | 0 | 114.2 | S934 | P932-S934 PolarHBondContact O-N 2.76Å; P932-S934 VanDerWaalsContact O-N 3.09Å |
| 933 | C | 25.6 | Very low | 25 | Very low | 90 Ų | 90 | 104.9 Ų | 104.9 | 61% | 0.608 | 62% | 0.622 | S | S | * | * | trans | -71.6 | 107 | -176.7 | -69.9 | 0 | 0 | 0 | 0 | 111.1 | T931 | T931-C933 PolarHBondContact O-N 3.49Å; T931-C933 PolarHBondContact O-SG 2.96Å | ||
| 934 | S | 24.8 | Very low | 25.7 | Very low | 79 Ų | 79 | 100.4 Ų | 100.4 | 55% | 0.552 | 59% | 0.589 | S | S | * | * | trans | -43.2 | 141.3 | 144.1 | 56.5 | 0 | 0 | 0 | 0 | 109.7 | P932 S936 | P932-S934 PolarHBondContact O-N 2.76Å; P932-S934 VanDerWaalsContact O-N 3.09Å; S934-S936 VanDerWaalsContact C-N 3.3Å; S934-S936 PolarHBondContact O-N 2.92Å | ||
| 935 | F | 25.9 | Very low | 26.2 | Very low | 67 Ų | 67 | 98.6 Ų | 98.6 | 29% | 0.294 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -67.1 | 81.2 | -171.2 | -88.9 | -87.4 | 0 | 0 | 0 | 113.2 | W1454 T1457 | F935-W1454 AromaticContact CE1-CD1 3.87Å; F935-T1457 HydrophobicContact CZ-CG2 4.46Å |
| 936 | S | 22.9 | Very low | 26.9 | Very low | 100 Ų | 100 | 91.7 Ų | 91.7 | 70% | 0.699 | 55% | 0.553 | S | S | * | * | trans | -126.2 | 22.5 | 178.3 | 72.9 | 0 | 0 | 0 | 0 | 113.1 | S934 | S934-S936 VanDerWaalsContact C-N 3.3Å; S934-S936 PolarHBondContact O-N 2.92Å | ||
| 937 | T | 22.5 | Very low | 27.5 | Very low | 82 Ų | 82 | 91.6 Ų | 91.6 | 50% | 0.503 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -74.5 | 143.3 | 151 | 52.9 | 0 | 0 | 0 | 0 | 108.1 | S939 | T937-S939 PolarHBondContact O-N 3.4Š|
| 938 | A | 23.5 | Very low | 28.2 | Very low | 98 Ų | 98 | 89.6 Ų | 89.6 | 81% | 0.81 | 54% | 0.536 | S | S | * | . | trans | -69.5 | 87.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T940 | A938-T940 PolarHBondContact O-N 3.15Š| ||
| 939 | S | 26.7 | Very low | 28.5 | Very low | 51 Ų | 51 | 83 Ų | 83 | 36% | 0.357 | 52% | 0.516 | S | S | . | . | trans | -66.8 | 118.9 | 173.9 | 49 | 0 | 0 | 0 | 0 | 109.7 | T937 L941 | T937-S939 PolarHBondContact O-N 3.4Å; S939-L941 VanDerWaalsContact C-N 3.28Å; S939-L941 PolarHBondContact O-N 2.92Å | ||
| 940 | T | 25.4 | Very low | 28.8 | Very low | 95 Ų | 95 | 80 Ų | 80 | 58% | 0.583 | 50% | 0.502 | S | S | * | . | trans | -78.3 | 79.1 | -180 | 37.2 | 0 | 0 | 0 | 0 | 110.1 | A938 S942 | A938-T940 PolarHBondContact O-N 3.15Å; T940-S942 PolarHBondContact O-N 3.13Å | ||
| 941 | L | 32.1 | Very low | 29 | Very low | 74 Ų | 74 | 78 Ų | 78 | 39% | 0.387 | 50% | 0.499 | S | S | . | . | trans | -64.1 | 101.3 | -178.2 | -167.8 | 75.9 | 0 | 0 | 0 | 111.2 | S939 T943 Y1029 | S939-L941 VanDerWaalsContact C-N 3.28Å; S939-L941 PolarHBondContact O-N 2.92Å; L941-T943 HydrophobicContact CD2-CG2 4.47Å; L941-T943 PolarHBondContact O-N 3.12Å; L941-Y1029 HydrophobicContact CD1-CD2 4.15Å; L941-Y1029 HydrophobicContact CD1-CE2 4.41Å; L941-Y1029 HydrophobicContact CD2-CD2 4.23Å | ||
| 942 | S | 34.4 | Very low | 29 | Very low | 51 Ų | 51 | 83 Ų | 83 | 36% | 0.357 | 51% | 0.509 | S | S | . | . | trans | -75 | 93.2 | 176 | 45.9 | 0 | 0 | 0 | 0 | 111 | T940 Y944 | T940-S942 PolarHBondContact O-N 3.13Å; S942-Y944 WeakPolarHBondContact O-CD2 3.42Å; S942-Y944 WeakPolarHBondContact O-CE2 3.23Å | ||
| 943 | T | 33 | Very low | 28.9 | Very low | 53 Ų | 53 | 84.2 Ų | 84.2 | 33% | 0.325 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 136.7 | 166.3 | 43.9 | 0 | 0 | 0 | 0 | 110.2 | L941 L1031 | L941-T943 HydrophobicContact CD2-CG2 4.47Å; L941-T943 PolarHBondContact O-N 3.12Å; T943-L1031 HydrophobicContact CG2-CD1 4.42Å |
| 944 | Y | 38.4 | Very low | 28.7 | Very low | 49 Ų | 49 | 89.9 Ų | 89.9 | 19% | 0.192 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 125.4 | -177.7 | -66.9 | -102.3 | 0 | 0 | 0 | 109.7 | S942 I950 Y1030 L1031 | S942-Y944 WeakPolarHBondContact O-CD2 3.42Å; S942-Y944 WeakPolarHBondContact O-CE2 3.23Å; Y944-I950 HydrophobicContact CE1-CG1 4.13Å; Y944-Y1030 HydrophobicContact CG-CE1 4.09Å; Y944-Y1030 WeakPolarHBondContact O-CD1 3.36Å; Y944-L1031 PolarHBondContact O-N 3.39Å |
| 945 | P | 33.9 | Very low | 28.6 | Very low | 57 Ų | 57 | 95.7 Ų | 95.7 | 37% | 0.37 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 157.2 | 161.6 | 32.7 | -33.6 | 0 | 0 | 0 | 109.3 | N947 N948 | P945-N947 PolarHBondContact O-N 3.11Å; P945-N948 PolarHBondContact O-N 3.35Å |
| 946 | G | 36.5 | Very low | 28.3 | Very low | 40 Ų | 40 | 102.9 Ų | 102.9 | 41% | 0.412 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.3 | 9.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 947 | N | 32.7 | Very low | 28.2 | Very low | 141 Ų | 141 | 107.1 Ų | 107.1 | 75% | 0.754 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.5 | 22.4 | -176.2 | -61.7 | 29.7 | 0 | 0 | 0 | 112.4 | P945 S949 | P945-N947 PolarHBondContact O-N 3.11Å; N947-S949 PolarHBondContact O-N 3.39Å |
| 948 | N | 38.7 | Very low | 28.3 | Very low | 69 Ų | 69 | 109 Ų | 109 | 37% | 0.369 | 60% | 0.595 | S | S | . | * | trans | 56.4 | 4.2 | 177.5 | -82.5 | -12.8 | 0 | 0 | 0 | 117.8 | P945 I950 | P945-N948 PolarHBondContact O-N 3.35Å; N948-I950 PolarHBondContact O-N 3.39Å | ||
| 949 | S | 29.4 | Very low | 28.1 | Very low | 70 Ų | 70 | 107.4 Ų | 107.4 | 49% | 0.49 | 58% | 0.579 | S | S | . | * | trans | -73.1 | 115.9 | 177.5 | 59.4 | 0 | 0 | 0 | 0 | 111.9 | N947 G951 | N947-S949 PolarHBondContact O-N 3.39Å; S949-G951 PolarHBondContact O-N 2.63Å | ||
| 950 | I | 28.6 | Very low | 27.9 | Very low | 118 Ų | 118 | 111.5 Ų | 111.5 | 61% | 0.605 | 59% | 0.592 | S | S | * | * | trans | -68.4 | 102.8 | 176.7 | -59.3 | 176.3 | 0 | 0 | 0 | 110.2 | Y944 N948 R952 | Y944-I950 HydrophobicContact CE1-CG1 4.13Å; N948-I950 PolarHBondContact O-N 3.39Å; I950-R952 VanDerWaalsContact C-N 3.26Å; I950-R952 HydrophobicContact CG2-CB 4.37Å; I950-R952 PolarHBondContact O-N 3.09Å | ||
| 951 | G | 26.1 | Very low | 27.9 | Very low | 55 Ų | 55 | 109.8 Ų | 109.8 | 57% | 0.567 | 58% | 0.581 | S | S | * | * | trans | -69.3 | 72.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S949 C953 | S949-G951 PolarHBondContact O-N 2.63Å; G951-C953 PolarHBondContact O-N 3.3Å | ||
| 952 | R | 23.5 | Very low | 27.5 | Very low | 195 Ų | 195 | 111.4 Ų | 111.4 | 74% | 0.736 | 59% | 0.594 | S | S | * | * | trans | -81.6 | 76.4 | -174.8 | -158.2 | -178.3 | -153.2 | 167.3 | 10.6 | 112 | I950 R954 | I950-R952 VanDerWaalsContact C-N 3.26Å; I950-R952 HydrophobicContact CG2-CB 4.37Å; I950-R952 PolarHBondContact O-N 3.09Å; R952-R954 PolarHBondContact O-N 2.91Å | ||
| 953 | C | 22.8 | Very low | 26.9 | Very low | 134 Ų | 134 | 114.1 Ų | 114.1 | 91% | 0.905 | 61% | 0.613 | S | S | * | * | trans | -51.8 | 110.7 | 177 | -65.5 | 0 | 0 | 0 | 0 | 111.9 | G951 | G951-C953 PolarHBondContact O-N 3.3Š| ||
| 954 | R | 21.4 | Very low | 26.4 | Very low | 210 Ų | 210 | 113.4 Ų | 113.4 | 79% | 0.792 | 62% | 0.616 | S | S | * | * | trans | -113.1 | 132.5 | 171.2 | -85.3 | -177.5 | 164.8 | -179 | -3.9 | 108.9 | R952 | R952-R954 PolarHBondContact O-N 2.91Š| ||
| 955 | K | 21.6 | Very low | 26 | Very low | 201 Ų | 201 | 115.1 Ų | 115.1 | 87% | 0.874 | 62% | 0.623 | S | S | * | * | trans | 39.6 | 103.2 | 163.7 | -69.2 | -169.5 | 172.7 | -168.1 | 0 | 116.7 | ||||
| 956 | F | 20.9 | Very low | 25.5 | Very low | 218 Ų | 218 | 116.4 Ų | 116.4 | 96% | 0.956 | 63% | 0.631 | S | S | * | * | trans | -129.5 | 149.1 | 139.2 | -99.3 | -86.8 | 0 | 0 | 0 | 109.3 | ||||
| 957 | Q | 19.5 | Very low | 24.9 | Very low | 189 Ų | 189 | 115.8 Ų | 115.8 | 88% | 0.883 | 62% | 0.62 | S | S | * | * | trans | -86.3 | 157.4 | 178.4 | -87.7 | 171.2 | -99.8 | 0 | 0 | 111.4 | ||||
| 958 | P | 24.5 | Very low | 24.5 | Very low | 120 Ų | 120 | 111.8 Ų | 111.8 | 78% | 0.779 | 60% | 0.597 | S | S | * | * | trans | -88.7 | 156.2 | -174.1 | 35.8 | -36.1 | 0 | 0 | 0 | 113.8 | ||||
| 959 | S | 21.1 | Very low | 23.8 | Very low | 65 Ų | 65 | 109.5 Ų | 109.5 | 46% | 0.455 | 59% | 0.586 | S | S | . | * | trans | -142.4 | 167.5 | 155.6 | 50.5 | 0 | 0 | 0 | 0 | 108.3 | N684 N685 | N684-S959 WeakPolarHBondContact CB-O 2.97Å; N684-S959 PolarHBondContact ND2-O 3.06Å; N685-S959 PolarHBondContact ND2-OG 3.22Å; N685-S959 WeakPolarHBondContact OD1-CB 3.11Å; N685-S959 PolarHBondContact OD1-OG 3.39Å; N685-S959 VanDerWaalsContact OD1-OG 3.07Å | ||
| 960 | H | 22.3 | Very low | 23.5 | Very low | 138 Ų | 138 | 106.5 Ų | 106.5 | 64% | 0.639 | 57% | 0.565 | S | S | * | * | trans | -151.2 | 129.5 | -135 | -149.5 | -120.2 | 0 | 0 | 0 | 113.8 | N685 S686 | N685-H960 VanDerWaalsContact CA-O 3.29Å; N685-H960 WeakPolarHBondContact CA-O 3.35Å; N685-H960 PolarHBondContact OD1-N 2.99Å; S686-H960 WeakPolarHBondContact CA-O 3.38Å | ||
| 961 | V | 23.8 | Very low | 23.2 | Very low | 59 Ų | 59 | 101.6 Ų | 101.6 | 36% | 0.358 | 54% | 0.541 | S | S | . | . | cis | -156 | 171.8 | -6 | -162.7 | 0 | 0 | 0 | 0 | 111.2 | N683 N684 | N683-V961 CarbonylContact O-C 3.25Å; N684-V961 WeakPolarHBondContact OD1-CA 3.07Å | ||
| 962 | T | 24 | Very low | 23 | Very low | 108 Ų | 108 | 103.6 Ų | 103.6 | 66% | 0.663 | 54% | 0.542 | S | S | * | . | trans | 102.8 | 148.9 | 154.5 | 74.2 | 0 | 0 | 0 | 0 | 119.2 | N683 | N683-T962 CarbonylContact O-C 3.45Å; N683-T962 PolarHBondContact O-N 2.89Å; N683-T962 VanDerWaalsContact O-O 3.05Å | ||
| 963 | S | 22.2 | Very low | 22.9 | Very low | 108 Ų | 108 | 98.7 Ų | 98.7 | 76% | 0.755 | 54% | 0.538 | S | S | * | . | cis | -156.2 | 165.9 | -0.1 | 39.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 964 | G | 23.4 | Very low | 22.9 | Very low | 38 Ų | 38 | 97.6 Ų | 97.6 | 39% | 0.392 | 53% | 0.529 | S | S | . | . | trans | 108.6 | 114.3 | 159.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | A766 | A766-G964 CarbonylContact O-C 3.56Š| ||
| 965 | R | 29.8 | Very low | 22.8 | Very low | 85 Ų | 85 | 94.2 Ų | 94.2 | 32% | 0.321 | 53% | 0.531 | S | S | . | . | trans | -119.7 | -177.9 | 173.1 | 118.4 | -163.8 | -68.4 | 175.5 | -3.9 | 110.7 | V677 Y678 A766 C767 C768 P769 | V677-R965 PolarHBondContact O-NH1 3.08Å; V677-R965 PolarHBondContact O-NH2 3.44Å; Y678-R965 PolarHBondContact O-NH2 3.24Å; A766-R965 PolarHBondContact O-N 3.5Å; C767-R965 CarbonylContact C-O 3.46Å; C767-R965 WeakPolarHBondContact CA-O 3.45Å; C767-R965 HydrophobicContact CB-CG 4.24Å; C767-R965 WeakPolarHBondContact SG-CD 3.17Å; C767-R965 VanDerWaalsContact SG-CG 3.6Å; C768-R965 CarbonylContact C-O 3.59Å; C768-R965 WeakPolarHBondContact CA-O 3.36Å; C768-R965 PolarHBondContact N-O 2.72Å; P769-R965 VanDerWaalsContact CD-C 3.42Å; P769-R965 WeakPolarHBondContact CD-O 3.45Å | ||
| 966 | P | 22.5 | Very low | 22.6 | Very low | 84 Ų | 84 | 92.1 Ų | 92.1 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | trans | -108.5 | 139.4 | 163 | 1.7 | 20.3 | 0 | 0 | 0 | 114.9 | C767 | C767-P966 WeakPolarHBondContact O-CA 3.37Š| ||
| 967 | S | 23.2 | Very low | 22.6 | Very low | 27 Ų | 27 | 86.1 Ų | 86.1 | 19% | 0.189 | 50% | 0.496 | C | S | . | . | trans | -159.1 | 161.6 | 159.2 | 64 | 0 | 0 | 0 | 0 | 110 | C767 | C767-S967 WeakPolarHBondContact CB-OG 3.46Å; C767-S967 PolarHBondContact O-N 3.11Å; C767-S967 PolarHBondContact SG-OG 2.7Å; C767-S967 VanDerWaalsContact SG-OG 3.33Å | ||
| 968 | H | 25 | Very low | 22.6 | Very low | 57 Ų | 57 | 81 Ų | 81 | 26% | 0.264 | 48% | 0.481 | S | S | . | . | cis | -156.9 | 168.1 | 28.4 | -77.1 | -74.8 | 0 | 0 | 0 | 112 | F821 L823 | F821-H968 VanDerWaalsContact CB-C 3.47Å; F821-H968 VanDerWaalsContact CB-O 3.22Å; F821-H968 WeakPolarHBondContact CB-O 3.35Å; L823-H968 HydrophobicContact CD1-CB 3.71Å; L823-H968 VanDerWaalsContact CD1-ND1 3.31Å; L823-H968 WeakPolarHBondContact CD1-ND1 3.48Å; L823-H968 WeakPolarHBondContact CD2-ND1 3.44Å; L823-H968 HydrophobicContact CG-CB 3.84Å; L823-H968 WeakPolarHBondContact CG-ND1 3.5Å | ||
| 969 | S | 23.3 | Very low | 22.4 | Very low | 21 Ų | 21 | 83.3 Ų | 83.3 | 15% | 0.147 | 48% | 0.481 | C | S | . | . | trans | 69.6 | 139.5 | 138.1 | 48.6 | 0 | 0 | 0 | 0 | 124.1 | I615 F821 N822 | I615-S969 VanDerWaalsContact CD1-CB 3.49Å; I615-S969 WeakPolarHBondContact CD1-OG 3.49Å; F821-S969 VanDerWaalsContact C-C 3.46Å; F821-S969 VanDerWaalsContact CB-O 3.22Å; F821-S969 WeakPolarHBondContact CB-O 3.36Å; F821-S969 CarbonylContact O-C 3.57Å; F821-S969 VanDerWaalsContact O-C 3.25Å; N822-S969 PolarHBondContact O-N 2.81Å; N822-S969 VanDerWaalsContact O-N 3.15Å | ||
| 970 | A | 24 | Very low | 22.4 | Very low | 6 Ų | 6 | 84.6 Ų | 84.6 | 5% | 0.05 | 49% | 0.49 | C | S | . | . | cis | -157 | 169.8 | -13.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L613 I615 F821 N822 L823 | L613-A970 HydrophobicContact CB-CB 3.56Å; L613-A970 CarbonylContact O-C 3.5Å; L613-A970 VanDerWaalsContact O-C 3.32Å; L613-A970 WeakPolarHBondContact O-CB 3.13Å; I615-A970 HydrophobicContact CB-CB 4.34Å; I615-A970 HydrophobicContact CG1-CB 3.98Å; I615-A970 PolarHBondContact N-O 3.38Å; I615-A970 VanDerWaalsContact N-O 3.15Å; F821-A970 CarbonylContact O-C 3.59Å; F821-A970 WeakPolarHBondContact O-CA 3.43Å; F821-A970 PolarHBondContact O-N 2.77Å; N822-A970 VanDerWaalsContact OD1-C 3.32Å; L823-A970 HydrophobicContact CB-CB 4.28Å | ||
| 971 | N | 22.3 | Very low | 22.3 | Very low | 16 Ų | 16 | 86.4 Ų | 86.4 | 9% | 0.086 | 50% | 0.498 | C | S | . | . | trans | -96.2 | -175.7 | -163.7 | 12 | -118.1 | 0 | 0 | 0 | 117.4 | E612 L613 I614 N822 L823 | E612-N971 WeakPolarHBondContact CA-ND2 3.21Å; E612-N971 HydrophobicContact CB-CB 4.06Å; E612-N971 VanDerWaalsContact CB-ND2 3.3Å; E612-N971 WeakPolarHBondContact CB-ND2 3.34Å; E612-N971 HydrophobicContact CG-CB 4.21Å; L613-N971 CarbonylContact C-O 3.58Å; L613-N971 CarbonylContact O-C 3.38Å; L613-N971 VanDerWaalsContact O-CA 3.3Å; L613-N971 WeakPolarHBondContact O-CA 3.22Å; L613-N971 PolarHBondContact O-N 3.16Å; L613-N971 PolarHBondContact O-ND2 3.28Å; I614-N971 WeakPolarHBondContact CA-O 3.24Å; I614-N971 WeakPolarHBondContact CB-O 3.32Å; I614-N971 WeakPolarHBondContact CG1-O 3.29Å; I614-N971 PolarHBondContact N-O 3.35Å; I614-N971 VanDerWaalsContact N-O 3.11Å; N822-N971 HydrophobicContact CB-CB 4.47Å; N822-N971 VanDerWaalsContact CB-OD1 3.3Å; N822-N971 WeakPolarHBondContact CB-OD1 3.38Å; N822-N971 WeakPolarHBondContact OD1-CA 3.22Å; N822-N971 WeakPolarHBondContact OD1-CB 3.02Å; N822-N971 PolarHBondContact OD1-N 3.14Å; N822-N971 VanDerWaalsContact OD1-N 3.12Å; N822-N971 PolarHBondContact OD1-OD1 2.72Å; L823-N971 PolarHBondContact N-OD1 2.77Å; L823-N971 PolarHBondContact O-ND2 2.99Å; L823-N971 PolarHBondContact O-OD1 2.96Å; L823-N971 VanDerWaalsContact O-OD1 3.12Å | ||
| 972 | T | 21.4 | Very low | 22.2 | Very low | 97 Ų | 97 | 92 Ų | 92 | 60% | 0.595 | 52% | 0.52 | S | S | * | . | trans | -160.3 | 142.7 | 153.3 | 10.6 | 0 | 0 | 0 | 0 | 110.4 | I614 | I614-T972 HydrophobicContact CB-CG2 4.16Š| ||
| 973 | S | 21.5 | Very low | 22.2 | Very low | 92 Ų | 92 | 93.9 Ų | 93.9 | 64% | 0.643 | 53% | 0.526 | S | S | * | . | trans | -80.5 | 152 | 170 | 61.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 974 | P | 23 | Very low | 22.1 | Very low | 110 Ų | 110 | 90 Ų | 90 | 71% | 0.714 | 50% | 0.499 | S | S | * | . | -150.7 | 172.6 | 77.1 | 41.1 | -22.1 | 0 | 0 | 0 | 117.5 | |||||
| 975 | T | 19.9 | Very low | 22.1 | Very low | 139 Ų | 139 | 94.9 Ų | 94.9 | 85% | 0.853 | 51% | 0.512 | S | S | * | . | trans | 71 | 167.9 | 155.2 | 2.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 976 | R | 17.9 | Very low | 21.8 | Very low | 158 Ų | 158 | 95.8 Ų | 95.8 | 60% | 0.596 | 53% | 0.527 | S | S | * | . | trans | -95.4 | 121 | -170.9 | -70.7 | 176.7 | 156.9 | 170.2 | -5.7 | 112.2 | V1599 A1600 | R976-V1599 HydrophobicContact CB-CB 4.47Å; R976-V1599 HydrophobicContact CB-CG1 3.7Å; R976-V1599 HydrophobicContact CG-CG1 3.93Å; R976-A1600 WeakPolarHBondContact CB-O 3.44Å; R976-A1600 VanDerWaalsContact CD-O 3.3Å; R976-A1600 WeakPolarHBondContact CD-O 3.47Å | ||
| 977 | L | 19.1 | Very low | 21.8 | Very low | 92 Ų | 92 | 96.1 Ų | 96.1 | 48% | 0.482 | 52% | 0.52 | S | S | . | . | trans | 157.9 | 102.8 | 130.2 | -94.5 | 159.9 | 0 | 0 | 0 | 115.3 | V1599 A1601 | L977-V1599 HydrophobicContact CD2-CB 3.65Å; L977-V1599 HydrophobicContact CD2-CG2 3.86Å; L977-V1599 HydrophobicContact CG-CB 3.94Å; L977-A1601 HydrophobicContact CD1-CB 3.63Å | ||
| 978 | S | 19.7 | Very low | 21.8 | Very low | 82 Ų | 82 | 98.8 Ų | 98.8 | 57% | 0.573 | 53% | 0.526 | S | S | * | . | trans | 76.8 | 162.1 | 143 | 84.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 979 | H | 21.2 | Very low | 21.8 | Very low | 167 Ų | 167 | 104.4 Ų | 104.4 | 77% | 0.773 | 55% | 0.55 | S | S | * | . | trans | 68.8 | 82.8 | 164.9 | -66.3 | 91.6 | 0 | 0 | 0 | 120.9 | ||||
| 980 | S | 20 | Very low | 21.8 | Very low | 92 Ų | 92 | 109.5 Ų | 109.5 | 64% | 0.643 | 58% | 0.58 | S | S | * | * | 52.7 | 129.3 | 117.8 | 61.3 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 981 | H | 21.8 | Very low | 21.9 | Very low | 176 Ų | 176 | 115.1 Ų | 115.1 | 82% | 0.815 | 62% | 0.619 | S | S | * | * | trans | 67 | 107.1 | 150.8 | -88.7 | -100.6 | 0 | 0 | 0 | 117.8 | ||||
| 982 | E | 21.4 | Very low | 22.1 | Very low | 178 Ų | 178 | 121 Ų | 121 | 83% | 0.832 | 65% | 0.647 | S | S | * | * | -166.3 | -162.8 | 82.8 | -85 | -142.7 | 115.4 | 0 | 0 | 111.4 | |||||
| 983 | D | 22.5 | Very low | 22.8 | Very low | 146 Ų | 146 | 119 Ų | 119 | 78% | 0.781 | 64% | 0.636 | S | S | * | * | trans | 48.8 | 83.1 | 175.9 | -83.3 | -23.1 | 0 | 0 | 0 | 120.3 | ||||
| 984 | S | 21.6 | Very low | 23.7 | Very low | 28 Ų | 28 | 116.3 Ų | 116.3 | 20% | 0.196 | 62% | 0.615 | C | S | . | * | trans | -124.1 | 85.2 | 155.2 | 43 | 0 | 0 | 0 | 0 | 111.2 | R1011 N1014 | S984-R1011 PolarHBondContact O-NH2 3.09Å; S984-N1014 VanDerWaalsContact CA-ND2 3.35Å; S984-N1014 WeakPolarHBondContact CA-ND2 3.35Å; S984-N1014 WeakPolarHBondContact CB-ND2 3.23Å; S984-N1014 PolarHBondContact O-ND2 2.95Å | ||
| 985 | Q | 22.4 | Very low | 25.1 | Very low | 140 Ų | 140 | 115.6 Ų | 115.6 | 65% | 0.654 | 60% | 0.598 | S | S | * | * | trans | -123.3 | 87.4 | 170.8 | -74.2 | -138.7 | 77.6 | 0 | 0 | 115.3 | N1014 | Q985-N1014 PolarHBondContact N-ND2 3.11Å; Q985-N1014 VanDerWaalsContact N-ND2 3.15Å | ||
| 986 | V | 24.3 | Very low | 26.9 | Very low | 104 Ų | 104 | 109.7 Ų | 109.7 | 63% | 0.63 | 56% | 0.562 | S | S | * | * | trans | -146.5 | 94.1 | 143.4 | -177 | 0 | 0 | 0 | 0 | 108.2 | N1014 | V986-N1014 HydrophobicContact CB-CB 4.34Å; V986-N1014 VanDerWaalsContact N-CG 3.31Å; V986-N1014 PolarHBondContact N-ND2 2.98Å; V986-N1014 PolarHBondContact O-OD1 3.03Å | ||
| 987 | F | 21.6 | Very low | 29.2 | Very low | 91 Ų | 91 | 105 Ų | 105 | 40% | 0.399 | 55% | 0.545 | S | S | . | . | trans | -145.3 | 36.1 | 167.2 | -126.4 | -78.5 | 0 | 0 | 0 | 113.5 | N996 L1031 | F987-N996 HydrophobicContact CD1-CB 4.27Å; F987-N996 HydrophobicContact CD2-CB 4.04Å; F987-N996 HydrophobicContact CE1-CB 4.18Å; F987-N996 WeakPolarHBondContact CE1-OD1 3.45Å; F987-N996 HydrophobicContact CE2-CB 3.95Å; F987-N996 WeakPolarHBondContact CE2-ND2 3.42Å; F987-N996 HydrophobicContact CG-CB 4.23Å; F987-N996 HydrophobicContact CZ-CB 4.04Å; F987-N996 WeakPolarHBondContact CZ-ND2 3.27Å; F987-L1031 HydrophobicContact CE1-CD2 4.27Å | ||
| 988 | Y | 24.7 | Very low | 31.8 | Very low | 82 Ų | 82 | 102.5 Ų | 102.5 | 32% | 0.322 | 53% | 0.531 | S | S | . | . | trans | -141.7 | 118.2 | 171.2 | -66.2 | -50.9 | 0 | 0 | 0 | 114.4 | M992 T993 V994 R995 | Y988-M992 WeakPolarHBondContact CD1-O 3.26Å; Y988-M992 WeakPolarHBondContact CE1-O 3.41Å; Y988-T993 VanDerWaalsContact CE1-CA 3.45Å; Y988-T993 HydrophobicContact CE1-CG2 4.31Å; Y988-T993 HydrophobicContact CE2-CG2 3.73Å; Y988-T993 VanDerWaalsContact CZ-C 3.48Å; Y988-T993 PolarHBondContact OH-O 3.46Å; Y988-V994 VanDerWaalsContact CE1-O 3.25Å; Y988-V994 WeakPolarHBondContact CE1-O 3.44Å; Y988-V994 PolarHBondContact OH-N 2.98Å; Y988-V994 PolarHBondContact OH-O 3.08Å; Y988-R995 WeakPolarHBondContact OH-CG 3.49Å; Y988-R995 PolarHBondContact OH-N 3.14Å | ||
| 989 | K | 24.3 | Very low | 34.4 | Very low | 176 Ų | 176 | 98.6 Ų | 98.6 | 77% | 0.765 | 50% | 0.504 | S | S | * | . | -157.5 | 50.9 | 128.3 | -119.8 | 172.7 | -177 | 176.6 | 0 | 114.9 | N771 | N771-K989 PolarHBondContact O-NZ 3.03Å; N771-K989 VanDerWaalsContact O-NZ 3.14Å | |||
| 990 | T | 23.9 | Very low | 37.1 | Very low | 128 Ų | 128 | 91.7 Ų | 91.7 | 79% | 0.785 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -118.6 | 150.5 | 143.8 | -38.3 | 0 | 0 | 0 | 0 | 107.3 | M992 | T990-M992 VanDerWaalsContact C-N 3.26Å; T990-M992 PolarHBondContact O-N 3.29Å |
| 991 | S | 25.5 | Very low | 39.8 | Very low | 123 Ų | 123 | 87.5 Ų | 87.5 | 86% | 0.86 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -79.2 | 59.4 | -165.6 | 56.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 992 | M | 26.5 | Very low | 42.3 | Very low | 139 Ų | 139 | 82 Ų | 82 | 69% | 0.685 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -148.3 | 143.3 | 158.5 | -85.7 | -157.2 | 165.1 | 0 | 0 | 110 | Y988 T990 V994 | Y988-M992 WeakPolarHBondContact CD1-O 3.26Å; Y988-M992 WeakPolarHBondContact CE1-O 3.41Å; T990-M992 VanDerWaalsContact C-N 3.26Å; T990-M992 PolarHBondContact O-N 3.29Å; M992-V994 HydrophobicContact CB-CG2 3.69Å; M992-V994 PolarHBondContact O-N 2.93Å |
| 993 | T | 36.1 | Very low | 44.3 | Very low | 56 Ų | 56 | 78.3 Ų | 78.3 | 34% | 0.344 | 41% | 0.412 | S | S | . | . | trans | -80.7 | 53.5 | -173.2 | -30.6 | 0 | 0 | 0 | 0 | 112.9 | Y988 S1033 L1034 | Y988-T993 VanDerWaalsContact CE1-CA 3.45Å; Y988-T993 HydrophobicContact CE1-CG2 4.31Å; Y988-T993 HydrophobicContact CE2-CG2 3.73Å; Y988-T993 VanDerWaalsContact CZ-C 3.48Å; Y988-T993 PolarHBondContact OH-O 3.46Å; T993-S1033 CarbonylContact O-C 3.57Å; T993-S1033 WeakPolarHBondContact O-CA 3.3Å; T993-L1034 HydrophobicContact CG2-CB 3.91Å; T993-L1034 HydrophobicContact CG2-CD2 4.06Å; T993-L1034 HydrophobicContact CG2-CG 4.41Å; T993-L1034 PolarHBondContact O-N 2.92Å | ||
| 994 | V | 40.2 | Very low | 46.4 | Very low | 36 Ų | 36 | 73.1 Ų | 73.1 | 22% | 0.218 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 105 | -178.3 | -160.7 | 0 | 0 | 0 | 0 | 113.2 | Y988 M992 L1031 K1032 | Y988-V994 VanDerWaalsContact CE1-O 3.25Å; Y988-V994 WeakPolarHBondContact CE1-O 3.44Å; Y988-V994 PolarHBondContact OH-N 2.98Å; Y988-V994 PolarHBondContact OH-O 3.08Å; M992-V994 HydrophobicContact CB-CG2 3.69Å; M992-V994 PolarHBondContact O-N 2.93Å; V994-L1031 HydrophobicContact CB-CD2 4.23Å; V994-L1031 HydrophobicContact CG1-CB 3.56Å; V994-L1031 HydrophobicContact CG1-CD2 3.62Å; V994-L1031 HydrophobicContact CG1-CG 4.19Å; V994-K1032 CarbonylContact C-O 3.57Å; V994-K1032 WeakPolarHBondContact CA-O 3.48Å |
| 995 | R | 52.3 | Low | 48.1 | Very low | 94 Ų | 94 | 78.2 Ų | 78.2 | 36% | 0.355 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 142.5 | 177 | -71.9 | -172.2 | 172 | 160.3 | -1.6 | 111.7 | Y988 K1032 L1034 | Y988-R995 WeakPolarHBondContact OH-CG 3.49Å; Y988-R995 PolarHBondContact OH-N 3.14Å; R995-K1032 PolarHBondContact N-O 2.94Å; R995-K1032 PolarHBondContact O-N 3.34Å; R995-L1034 HydrophobicContact CG-CD1 4.18Å |
| 996 | N | 58 | Low | 49.7 | Very low | 16 Ų | 16 | 77 Ų | 77 | 9% | 0.086 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 132.3 | 166.8 | -106.7 | 25.3 | 0 | 0 | 0 | 111.6 | F987 L1012 L1031 | F987-N996 HydrophobicContact CD1-CB 4.27Å; F987-N996 HydrophobicContact CD2-CB 4.04Å; F987-N996 HydrophobicContact CE1-CB 4.18Å; F987-N996 WeakPolarHBondContact CE1-OD1 3.45Å; F987-N996 HydrophobicContact CE2-CB 3.95Å; F987-N996 WeakPolarHBondContact CE2-ND2 3.42Å; F987-N996 HydrophobicContact CG-CB 4.23Å; F987-N996 HydrophobicContact CZ-CB 4.04Å; F987-N996 WeakPolarHBondContact CZ-ND2 3.27Å; N996-L1012 HydrophobicContact CB-CD1 4.27Å; N996-L1031 WeakPolarHBondContact OD1-CD2 3.5Å; N996-L1031 WeakPolarHBondContact OD1-CG 3.35Å |
| 997 | K | 66.3 | Low | 51.6 | Low | 58 Ų | 58 | 74.3 Ų | 74.3 | 25% | 0.252 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 140.8 | 169.2 | -77.8 | -169.1 | 166.6 | -147.5 | 0 | 110.6 | Q1009 S1010 L1012 Y1030 L1040 | K997-Q1009 HydrophobicContact CD-CB 4.27Å; K997-S1010 WeakPolarHBondContact CA-O 3.46Å; K997-L1012 VanDerWaalsContact C-CD1 3.44Å; K997-Y1030 PolarHBondContact N-O 3.27Å; K997-Y1030 PolarHBondContact O-N 3.29Å; K997-L1040 HydrophobicContact CB-CD1 4.16Å; K997-L1040 HydrophobicContact CD-CD1 3.8Å |
| 998 | Q | 74.6 | Confident | 53.7 | Low | 40 Ų | 40 | 74.4 Ų | 74.4 | 19% | 0.187 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 131.1 | 161.1 | -175.6 | 178.6 | 19.1 | 0 | 0 | 106.4 | Q1009 S1010 L1012 S1027 Y1029 | Q998-Q1009 CarbonylContact O-C 3.06Å; Q998-Q1009 WeakPolarHBondContact O-CA 3.01Å; Q998-S1010 PolarHBondContact N-O 3.16Å; Q998-S1010 PolarHBondContact O-N 3.1Å; Q998-S1010 VanDerWaalsContact O-O 3.07Å; Q998-L1012 HydrophobicContact CB-CD1 3.9Å; Q998-L1012 HydrophobicContact CB-CG 4.33Å; Q998-S1027 PolarHBondContact NE2-OG 2.82Å; Q998-Y1029 HydrophobicContact CB-CD1 3.95Å; Q998-Y1029 HydrophobicContact CB-CE1 4Å; Q998-Y1029 HydrophobicContact CG-CD1 4.05Å; Q998-Y1029 HydrophobicContact CG-CE1 3.83Å |
| 999 | V | 72.9 | Confident | 55.9 | Low | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 109 | 174.8 | -171.1 | 0 | 0 | 0 | 0 | 106.5 | V1007 Q1009 S1027 R1028 Y1030 L1040 I1041 | V999-V1007 HydrophobicContact CG1-CG1 3.26Å; V999-Q1009 HydrophobicContact CG1-CG 4.16Å; V999-Q1009 HydrophobicContact CG2-CG 4.19Å; V999-S1027 VanDerWaalsContact O-CA 3.31Å; V999-S1027 WeakPolarHBondContact O-CA 3.21Å; V999-R1028 PolarHBondContact N-O 3.15Å; V999-R1028 PolarHBondContact O-N 2.83Å; V999-Y1030 HydrophobicContact CB-CD2 3.84Å; V999-Y1030 HydrophobicContact CB-CE2 4.02Å; V999-Y1030 HydrophobicContact CG2-CD2 3.46Å; V999-Y1030 VanDerWaalsContact CG2-CD2 3.46Å; V999-Y1030 HydrophobicContact CG2-CE2 4.09Å; V999-Y1030 HydrophobicContact CG2-CG 4.14Å; V999-L1040 HydrophobicContact CG2-CB 4.23Å; V999-L1040 HydrophobicContact CG2-CD1 3.86Å; V999-I1041 HydrophobicContact CB-CD1 3.86Å; V999-I1041 HydrophobicContact CB-CG1 4.43Å; V999-I1041 HydrophobicContact CG1-CD1 3.35Å; V999-I1041 HydrophobicContact CG1-CG1 3.87Å |
| 1000 | T | 77.9 | Confident | 57.9 | Low | 23 Ų | 23 | 67.9 Ų | 67.9 | 14% | 0.141 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 121 | -179.3 | -57.4 | 0 | 0 | 0 | 0 | 108.1 | K1008 N1026 S1027 | T1000-K1008 PolarHBondContact N-O 2.66Å; T1000-K1008 PolarHBondContact O-N 2.7Å; T1000-N1026 WeakPolarHBondContact CG2-ND2 3.47Å; T1000-S1027 WeakPolarHBondContact OG1-CB 3.16Å |
| 1001 | V | 76.3 | Confident | 59.8 | Low | 3 Ų | 3 | 66.8 Ų | 66.8 | 2% | 0.018 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 123.3 | -178.2 | -160.5 | 0 | 0 | 0 | 0 | 108.8 | V1007 N1026 I1041 A1046 I1049 L1050 | V1001-V1007 HydrophobicContact CG1-CG2 4.5Å; V1001-N1026 PolarHBondContact N-O 2.96Å; V1001-N1026 WeakPolarHBondContact O-CB 3.27Å; V1001-N1026 PolarHBondContact O-ND2 3.36Å; V1001-I1041 HydrophobicContact CG2-CD1 4.16Å; V1001-A1046 HydrophobicContact CG1-CB 4.01Å; V1001-I1049 HydrophobicContact CB-CG2 4.36Å; V1001-I1049 HydrophobicContact CG2-CB 4.16Å; V1001-I1049 HydrophobicContact CG2-CG2 3.79Å; V1001-L1050 HydrophobicContact CB-CG 4.08Å; V1001-L1050 HydrophobicContact CG1-CD1 3.61Å; V1001-L1050 HydrophobicContact CG1-CD2 4.43Å; V1001-L1050 HydrophobicContact CG1-CG 3.59Å |
| 1002 | E | 75.2 | Confident | 61.6 | Low | 62 Ų | 62 | 61.5 Ų | 61.5 | 29% | 0.29 | 33% | 0.331 | S | S | . | . | trans | -108.8 | 162.6 | 176.7 | -66.7 | -179.4 | 162.2 | 0 | 0 | 109.9 | G1004 K1008 | E1002-G1004 PolarHBondContact O-N 2.87Å; E1002-K1008 WeakPolarHBondContact OE1-CD 3.33Å; E1002-K1008 IonicContact OE1-NZ 2.68Å; E1002-K1008 PolarHBondContact OE1-NZ 3.14Å; E1002-K1008 IonicContact OE2-NZ 2.63Å; E1002-K1008 PolarHBondContact OE2-NZ 3.3Å | ||
| 1003 | S | 64 | Low | 63.1 | Low | 99 Ų | 99 | 57.3 Ų | 57.3 | 69% | 0.692 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -75.8 | 21 | -168.9 | 54.8 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1004 | G | 66 | Low | 63.7 | Low | 37 Ų | 37 | 57.2 Ų | 57.2 | 38% | 0.381 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -124.1 | -170 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E1002 I1006 | E1002-G1004 PolarHBondContact O-N 2.87Å; G1004-I1006 PolarHBondContact O-N 3.27Å; G1004-I1006 VanDerWaalsContact O-N 3.1Å |
| 1005 | P | 57.1 | Low | 64.1 | Low | 136 Ų | 136 | 61.1 Ų | 61.1 | 88% | 0.883 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -71.6 | 1.7 | 176.8 | 31 | -35.9 | 0 | 0 | 0 | 113.8 | ||
| 1006 | I | 55.8 | Low | 64 | Low | 113 Ų | 113 | 59.4 Ų | 59.4 | 58% | 0.579 | 33% | 0.334 | S | S | * | . | trans | -100.7 | 106.7 | -172 | -55.3 | 177.4 | 0 | 0 | 0 | 109.9 | G1004 K1008 | G1004-I1006 PolarHBondContact O-N 3.27Å; G1004-I1006 VanDerWaalsContact O-N 3.1Å; I1006-K1008 PolarHBondContact O-N 3.03Å | ||
| 1007 | V | 64.7 | Low | 63.5 | Low | 49 Ų | 49 | 60.8 Ų | 60.8 | 30% | 0.297 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 102.5 | 170 | 179.2 | 0 | 0 | 0 | 0 | 108.9 | V999 V1001 Q1009 | V999-V1007 HydrophobicContact CG1-CG1 3.26Å; V1001-V1007 HydrophobicContact CG1-CG2 4.5Å; V1007-Q1009 PolarHBondContact O-N 2.86Å |
| 1008 | K | 66.4 | Low | 63.1 | Low | 92 Ų | 92 | 59.9 Ų | 59.9 | 40% | 0.4 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 114.4 | 178.4 | -79.8 | -159.4 | 175.5 | 87 | 0 | 110.5 | T1000 E1002 I1006 | T1000-K1008 PolarHBondContact N-O 2.66Å; T1000-K1008 PolarHBondContact O-N 2.7Å; E1002-K1008 WeakPolarHBondContact OE1-CD 3.33Å; E1002-K1008 IonicContact OE1-NZ 2.68Å; E1002-K1008 PolarHBondContact OE1-NZ 3.14Å; E1002-K1008 IonicContact OE2-NZ 2.63Å; E1002-K1008 PolarHBondContact OE2-NZ 3.3Å; I1006-K1008 PolarHBondContact O-N 3.03Å |
| 1009 | Q | 70.9 | Confident | 62.6 | Low | 69 Ų | 69 | 60.2 Ų | 60.2 | 32% | 0.322 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 88 | 173.8 | -66.6 | -170 | 14.1 | 0 | 0 | 111.3 | K997 Q998 V999 V1007 | K997-Q1009 HydrophobicContact CD-CB 4.27Å; Q998-Q1009 CarbonylContact O-C 3.06Å; Q998-Q1009 WeakPolarHBondContact O-CA 3.01Å; V999-Q1009 HydrophobicContact CG1-CG 4.16Å; V999-Q1009 HydrophobicContact CG2-CG 4.19Å; V1007-Q1009 PolarHBondContact O-N 2.86Å |
| 1010 | S | 65.5 | Low | 61.9 | Low | 52 Ų | 52 | 60.9 Ų | 60.9 | 36% | 0.364 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 145.5 | 170.3 | 55.1 | 0 | 0 | 0 | 0 | 111 | K997 Q998 | K997-S1010 WeakPolarHBondContact CA-O 3.46Å; Q998-S1010 PolarHBondContact N-O 3.16Å; Q998-S1010 PolarHBondContact O-N 3.1Å; Q998-S1010 VanDerWaalsContact O-O 3.07Å |
| 1011 | R | 64.5 | Low | 61.1 | Low | 106 Ų | 106 | 61.1 Ų | 61.1 | 40% | 0.4 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 129.2 | 166.5 | -178.5 | 175.2 | 172.8 | 180 | -6.7 | 107 | S984 | S984-R1011 PolarHBondContact O-NH2 3.09Å |
| 1012 | L | 63.4 | Low | 60.6 | Low | 11 Ų | 11 | 67.7 Ų | 67.7 | 6% | 0.058 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 143.2 | 174 | -73.2 | 98.4 | 0 | 0 | 0 | 109.7 | N996 K997 Q998 L1016 L1019 Y1029 | N996-L1012 HydrophobicContact CB-CD1 4.27Å; K997-L1012 VanDerWaalsContact C-CD1 3.44Å; Q998-L1012 HydrophobicContact CB-CD1 3.9Å; Q998-L1012 HydrophobicContact CB-CG 4.33Å; L1012-L1016 HydrophobicContact CB-CD1 4.21Å; L1012-L1016 HydrophobicContact CD2-CD1 4.08Å; L1012-L1016 HydrophobicContact CG-CD1 4.41Å; L1012-L1019 HydrophobicContact CD2-CD2 3.47Å; L1012-L1019 VanDerWaalsContact CD2-CD2 3.47Å; L1012-Y1029 HydrophobicContact CD1-CD1 3.9Å; L1012-Y1029 HydrophobicContact CD1-CE1 4.26Å; L1012-Y1029 HydrophobicContact CD2-CD1 4.11Å; L1012-Y1029 HydrophobicContact CD2-CE1 3.75Å; L1012-Y1029 HydrophobicContact CG-CE1 4.41Å |
| 1013 | S | 57.1 | Low | 60.5 | Low | 51 Ų | 51 | 65.3 Ų | 65.3 | 36% | 0.357 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 145.8 | 155.3 | 179.5 | 0 | 0 | 0 | 0 | 109.2 | V1015 L1016 | S1013-V1015 PolarHBondContact O-N 3.08Å; S1013-V1015 PolarHBondContact OG-N 3.09Å; S1013-L1016 WeakPolarHBondContact O-CD1 3.07Å |
| 1014 | N | 49.3 | Very low | 61.1 | Low | 54 Ų | 54 | 63.5 Ų | 63.5 | 29% | 0.289 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -82.4 | 6.4 | -179 | -34.5 | -78.6 | 0 | 0 | 0 | 112.5 | S984 Q985 V986 | S984-N1014 VanDerWaalsContact CA-ND2 3.35Å; S984-N1014 WeakPolarHBondContact CA-ND2 3.35Å; S984-N1014 WeakPolarHBondContact CB-ND2 3.23Å; S984-N1014 PolarHBondContact O-ND2 2.95Å; Q985-N1014 PolarHBondContact N-ND2 3.11Å; Q985-N1014 VanDerWaalsContact N-ND2 3.15Å; V986-N1014 HydrophobicContact CB-CB 4.34Å; V986-N1014 VanDerWaalsContact N-CG 3.31Å; V986-N1014 PolarHBondContact N-ND2 2.98Å; V986-N1014 PolarHBondContact O-OD1 3.03Å |
| 1015 | V | 47 | Very low | 61.7 | Low | 119 Ų | 119 | 61.8 Ų | 61.8 | 72% | 0.721 | 34% | 0.335 | S | S | * | . | trans | -114.6 | 39.9 | -177.4 | -158 | 0 | 0 | 0 | 0 | 109.9 | S1013 | S1013-V1015 PolarHBondContact O-N 3.08Å; S1013-V1015 PolarHBondContact OG-N 3.09Å | ||
| 1016 | L | 50.7 | Low | 62.9 | Low | 58 Ų | 58 | 57.1 Ų | 57.1 | 30% | 0.304 | 30% | 0.302 | S | S | . | . | trans | -112.7 | 92.8 | -174.3 | -75.4 | 174.6 | 0 | 0 | 0 | 111.8 | L1012 S1013 L1019 | L1012-L1016 HydrophobicContact CB-CD1 4.21Å; L1012-L1016 HydrophobicContact CD2-CD1 4.08Å; L1012-L1016 HydrophobicContact CG-CD1 4.41Å; S1013-L1016 WeakPolarHBondContact O-CD1 3.07Å; L1016-L1019 HydrophobicContact CB-CD2 3.75Å; L1016-L1019 WeakPolarHBondContact O-CD2 3.22Å; L1016-L1019 WeakPolarHBondContact O-CG 3.42Å | ||
| 1017 | D | 47.6 | Very low | 64 | Low | 45 Ų | 45 | 51.8 Ų | 51.8 | 24% | 0.241 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -64.4 | 154.5 | 170.9 | -66.8 | 22.1 | 0 | 0 | 0 | 111.9 | Y678 L1019 R1022 | Y678-D1017 HydrophobicContact CD2-CB 3.6Å; Y678-D1017 WeakPolarHBondContact CD2-OD1 3.45Å; Y678-D1017 WeakPolarHBondContact CD2-OD2 3.44Å; Y678-D1017 HydrophobicContact CE2-CB 3.56Å; Y678-D1017 WeakPolarHBondContact CE2-OD2 3.4Å; Y678-D1017 HydrophobicContact CG-CB 4.14Å; D1017-L1019 PolarHBondContact O-N 2.69Å; D1017-R1022 WeakPolarHBondContact O-CD 3.43Å; D1017-R1022 PolarHBondContact O-NH1 2.99Å |
| 1018 | D | 57.9 | Low | 64.6 | Low | 39 Ų | 39 | 50.8 Ų | 50.8 | 21% | 0.209 | 27% | 0.266 | C | S | . | . | trans | 37.2 | 61.9 | -171.6 | -167 | 16.5 | 0 | 0 | 0 | 115.3 | Y678 S1020 G1021 R1022 | Y678-D1018 PolarHBondContact OH-N 2.95Å; D1018-S1020 PolarHBondContact O-N 3.38Å; D1018-S1020 VanDerWaalsContact O-N 3.1Å; D1018-S1020 WeakPolarHBondContact OD1-CB 3.44Å; D1018-S1020 PolarHBondContact OD1-N 2.86Å; D1018-S1020 PolarHBondContact OD1-OG 2.69Å; D1018-G1021 VanDerWaalsContact CG-N 3.26Å; D1018-G1021 PolarHBondContact O-N 3.03Å; D1018-G1021 PolarHBondContact OD1-N 3.25Å; D1018-G1021 WeakPolarHBondContact OD2-CA 3.04Å; D1018-G1021 PolarHBondContact OD2-N 2.95Å; D1018-R1022 WeakPolarHBondContact O-CB 3.43Å; D1018-R1022 WeakPolarHBondContact O-CG 3.42Å; D1018-R1022 PolarHBondContact O-N 3.39Å | ||
| 1019 | L | 64.5 | Low | 65.1 | Low | 47 Ų | 47 | 47 Ų | 47 | 25% | 0.246 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -27.1 | 169.8 | -66.9 | 179.8 | 0 | 0 | 0 | 113.2 | L1012 L1016 D1017 L1023 Y1029 | L1012-L1019 HydrophobicContact CD2-CD2 3.47Å; L1012-L1019 VanDerWaalsContact CD2-CD2 3.47Å; L1016-L1019 HydrophobicContact CB-CD2 3.75Å; L1016-L1019 WeakPolarHBondContact O-CD2 3.22Å; L1016-L1019 WeakPolarHBondContact O-CG 3.42Å; D1017-L1019 PolarHBondContact O-N 2.69Å; L1019-L1023 PolarHBondContact O-N 3.04Å; L1019-Y1029 HydrophobicContact CB-CE2 3.85Å; L1019-Y1029 VanDerWaalsContact O-CE2 3.29Å; L1019-Y1029 WeakPolarHBondContact O-CE2 3.46Å; L1019-Y1029 PolarHBondContact O-OH 3.2Å |
| 1020 | S | 58.6 | Low | 65 | Low | 14 Ų | 14 | 43.8 Ų | 43.8 | 10% | 0.098 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -51.4 | 178 | 22.1 | 0 | 0 | 0 | 0 | 112.9 | D1018 R1022 L1023 | D1018-S1020 PolarHBondContact O-N 3.38Å; D1018-S1020 VanDerWaalsContact O-N 3.1Å; D1018-S1020 WeakPolarHBondContact OD1-CB 3.44Å; D1018-S1020 PolarHBondContact OD1-N 2.86Å; D1018-S1020 PolarHBondContact OD1-OG 2.69Å; S1020-R1022 VanDerWaalsContact C-N 3.28Å; S1020-R1022 PolarHBondContact O-N 3.12Å; S1020-L1023 PolarHBondContact O-N 3.15Å |
| 1021 | G | 59.7 | Low | 65 | Low | 28 Ų | 28 | 43.9 Ų | 43.9 | 29% | 0.289 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -25 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D1018 | D1018-G1021 VanDerWaalsContact CG-N 3.26Å; D1018-G1021 PolarHBondContact O-N 3.03Å; D1018-G1021 PolarHBondContact OD1-N 3.25Å; D1018-G1021 WeakPolarHBondContact OD2-CA 3.04Å; D1018-G1021 PolarHBondContact OD2-N 2.95Å |
| 1022 | R | 66.7 | Low | 64.9 | Low | 140 Ų | 140 | 40.4 Ų | 40.4 | 53% | 0.528 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -8.1 | 173.4 | -74 | 178.6 | 157 | 145.3 | -8.7 | 114.9 | D1017 D1018 S1020 T1024 | D1017-R1022 WeakPolarHBondContact O-CD 3.43Å; D1017-R1022 PolarHBondContact O-NH1 2.99Å; D1018-R1022 WeakPolarHBondContact O-CB 3.43Å; D1018-R1022 WeakPolarHBondContact O-CG 3.42Å; D1018-R1022 PolarHBondContact O-N 3.39Å; S1020-R1022 VanDerWaalsContact C-N 3.28Å; S1020-R1022 PolarHBondContact O-N 3.12Å; R1022-T1024 PolarHBondContact O-N 3.34Å |
| 1023 | L | 72.5 | Confident | 64.5 | Low | 13 Ų | 13 | 41.5 Ų | 41.5 | 7% | 0.068 | 23% | 0.227 | C | C | . | . | trans | -79.5 | 105.5 | -179.3 | -169.9 | 81.4 | 0 | 0 | 0 | 111.1 | L1019 S1020 S1027 Y1029 W1454 L1458 | L1019-L1023 PolarHBondContact O-N 3.04Å; S1020-L1023 PolarHBondContact O-N 3.15Å; L1023-S1027 VanDerWaalsContact CD1-OG 3.32Å; L1023-S1027 WeakPolarHBondContact CD1-OG 3.3Å; L1023-Y1029 HydrophobicContact CB-CE2 4.37Å; L1023-Y1029 HydrophobicContact CD1-CD1 4.29Å; L1023-Y1029 HydrophobicContact CD1-CD2 3.89Å; L1023-Y1029 HydrophobicContact CD1-CE1 3.95Å; L1023-Y1029 HydrophobicContact CD1-CE2 3.52Å; L1023-Y1029 HydrophobicContact CD1-CG 4.26Å; L1023-Y1029 HydrophobicContact CG-CE2 4.47Å; L1023-W1454 HydrophobicContact CD2-CH2 3.96Å; L1023-W1454 HydrophobicContact CD2-CZ2 4.48Å; L1023-L1458 WeakPolarHBondContact O-CD2 3.48Å | ||
| 1024 | T | 77 | Confident | 64.3 | Low | 60 Ų | 60 | 42.9 Ų | 42.9 | 37% | 0.368 | 23% | 0.23 | S | C | . | . | trans | -69.9 | 150.5 | 168.5 | 63.9 | 0 | 0 | 0 | 0 | 110.8 | R1022 N1026 S1027 | R1022-T1024 PolarHBondContact O-N 3.34Å; T1024-N1026 VanDerWaalsContact C-N 3.25Å; T1024-N1026 WeakPolarHBondContact CB-OD1 3.13Å; T1024-N1026 PolarHBondContact O-N 3.28Å; T1024-N1026 PolarHBondContact OG1-OD1 3.45Å; T1024-S1027 PolarHBondContact N-OG 2.77Å; T1024-S1027 WeakPolarHBondContact O-CA 3.29Å; T1024-S1027 PolarHBondContact O-N 2.95Å; T1024-S1027 PolarHBondContact O-OG 2.85Å; T1024-S1027 WeakPolarHBondContact OG1-CB 3.31Å; T1024-S1027 PolarHBondContact OG1-OG 2.92Å | ||
| 1025 | L | 79.3 | Confident | 64.6 | Low | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -31.7 | -177.8 | -70.9 | 177 | 0 | 0 | 0 | 114.7 | S1027 R1028 V1055 L1455 L1458 R1459 T1462 | L1025-S1027 PolarHBondContact O-N 2.9Å; L1025-R1028 PolarHBondContact O-NH1 2.78Å; L1025-V1055 HydrophobicContact CD1-CG2 3.37Å; L1025-L1455 HydrophobicContact CD2-CD1 3.86Å; L1025-L1458 HydrophobicContact CD2-CB 4.1Å; L1025-R1459 HydrophobicContact CD1-CB 4.38Å; L1025-R1459 HydrophobicContact CD1-CG 3.73Å; L1025-R1459 HydrophobicContact CD2-CG 4.12Å; L1025-T1462 HydrophobicContact CB-CG2 4.44Å; L1025-T1462 HydrophobicContact CD1-CG2 4.01Å; L1025-T1462 HydrophobicContact CG-CG2 4.31Å |
| 1026 | N | 81.5 | Confident | 64.9 | Low | 38 Ų | 38 | 45.3 Ų | 45.3 | 20% | 0.203 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 1.3 | 175.5 | 68.3 | -33.8 | 0 | 0 | 0 | 113.5 | T1000 V1001 T1024 I1049 | T1000-N1026 WeakPolarHBondContact CG2-ND2 3.47Å; V1001-N1026 PolarHBondContact N-O 2.96Å; V1001-N1026 WeakPolarHBondContact O-CB 3.27Å; V1001-N1026 PolarHBondContact O-ND2 3.36Å; T1024-N1026 VanDerWaalsContact C-N 3.25Å; T1024-N1026 WeakPolarHBondContact CB-OD1 3.13Å; T1024-N1026 PolarHBondContact O-N 3.28Å; T1024-N1026 PolarHBondContact OG1-OD1 3.45Å; N1026-I1049 WeakPolarHBondContact O-CG2 3.23Å |
| 1027 | S | 79.3 | Confident | 65.1 | Low | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 151.4 | 178.2 | 78.6 | 0 | 0 | 0 | 0 | 112.7 | Q998 V999 T1000 L1023 T1024 L1025 | Q998-S1027 PolarHBondContact NE2-OG 2.82Å; V999-S1027 VanDerWaalsContact O-CA 3.31Å; V999-S1027 WeakPolarHBondContact O-CA 3.21Å; T1000-S1027 WeakPolarHBondContact OG1-CB 3.16Å; L1023-S1027 VanDerWaalsContact CD1-OG 3.32Å; L1023-S1027 WeakPolarHBondContact CD1-OG 3.3Å; T1024-S1027 PolarHBondContact N-OG 2.77Å; T1024-S1027 WeakPolarHBondContact O-CA 3.29Å; T1024-S1027 PolarHBondContact O-N 2.95Å; T1024-S1027 PolarHBondContact O-OG 2.85Å; T1024-S1027 WeakPolarHBondContact OG1-CB 3.31Å; T1024-S1027 PolarHBondContact OG1-OG 2.92Å; L1025-S1027 PolarHBondContact O-N 2.9Å |
| 1028 | R | 77.8 | Confident | 65.7 | Low | 28 Ų | 28 | 53.3 Ų | 53.3 | 11% | 0.106 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 149 | 174.7 | -69.9 | -62.3 | -177.3 | -79.3 | -4.4 | 109.5 | V999 L1025 Y1030 I1049 E1052 | V999-R1028 PolarHBondContact N-O 3.15Å; V999-R1028 PolarHBondContact O-N 2.83Å; L1025-R1028 PolarHBondContact O-NH1 2.78Å; R1028-Y1030 HydrophobicContact CB-CD2 4.23Å; R1028-Y1030 HydrophobicContact CB-CE2 3.56Å; R1028-I1049 HydrophobicContact CG-CD1 3.87Å; R1028-I1049 HydrophobicContact CG-CG1 4.45Å; R1028-E1052 IonicContact CZ-OE2 3.67Å; R1028-E1052 IonicContact NH2-OE2 3.44Å; R1028-E1052 PolarHBondContact NH2-OE2 3.13Å |
| 1029 | Y | 76.6 | Confident | 66 | Low | 12 Ų | 12 | 56.3 Ų | 56.3 | 5% | 0.047 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 128.8 | 176.4 | -56.2 | -49.5 | 0 | 0 | 0 | 111.3 | L941 Q998 L1012 L1019 L1023 | L941-Y1029 HydrophobicContact CD1-CD2 4.15Å; L941-Y1029 HydrophobicContact CD1-CE2 4.41Å; L941-Y1029 HydrophobicContact CD2-CD2 4.23Å; Q998-Y1029 HydrophobicContact CB-CD1 3.95Å; Q998-Y1029 HydrophobicContact CB-CE1 4Å; Q998-Y1029 HydrophobicContact CG-CD1 4.05Å; Q998-Y1029 HydrophobicContact CG-CE1 3.83Å; L1012-Y1029 HydrophobicContact CD1-CD1 3.9Å; L1012-Y1029 HydrophobicContact CD1-CE1 4.26Å; L1012-Y1029 HydrophobicContact CD2-CD1 4.11Å; L1012-Y1029 HydrophobicContact CD2-CE1 3.75Å; L1012-Y1029 HydrophobicContact CG-CE1 4.41Å; L1019-Y1029 HydrophobicContact CB-CE2 3.85Å; L1019-Y1029 VanDerWaalsContact O-CE2 3.29Å; L1019-Y1029 WeakPolarHBondContact O-CE2 3.46Å; L1019-Y1029 PolarHBondContact O-OH 3.2Å; L1023-Y1029 HydrophobicContact CB-CE2 4.37Å; L1023-Y1029 HydrophobicContact CD1-CD1 4.29Å; L1023-Y1029 HydrophobicContact CD1-CD2 3.89Å; L1023-Y1029 HydrophobicContact CD1-CE1 3.95Å; L1023-Y1029 HydrophobicContact CD1-CE2 3.52Å; L1023-Y1029 HydrophobicContact CD1-CG 4.26Å; L1023-Y1029 HydrophobicContact CG-CE2 4.47Å |
| 1030 | Y | 67.7 | Low | 66.2 | Low | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 147.8 | -178.8 | -73.6 | -96.4 | 0 | 0 | 0 | 111.4 | Y944 K997 V999 R1028 L1040 I1041 | Y944-Y1030 HydrophobicContact CG-CE1 4.09Å; Y944-Y1030 WeakPolarHBondContact O-CD1 3.36Å; K997-Y1030 PolarHBondContact N-O 3.27Å; K997-Y1030 PolarHBondContact O-N 3.29Å; V999-Y1030 HydrophobicContact CB-CD2 3.84Å; V999-Y1030 HydrophobicContact CB-CE2 4.02Å; V999-Y1030 HydrophobicContact CG2-CD2 3.46Å; V999-Y1030 VanDerWaalsContact CG2-CD2 3.46Å; V999-Y1030 HydrophobicContact CG2-CE2 4.09Å; V999-Y1030 HydrophobicContact CG2-CG 4.14Å; R1028-Y1030 HydrophobicContact CB-CD2 4.23Å; R1028-Y1030 HydrophobicContact CB-CE2 3.56Å; Y1030-L1040 HydrophobicContact CD1-CD2 4Å; Y1030-L1040 VanDerWaalsContact CE1-O 3.23Å; Y1030-L1040 WeakPolarHBondContact CE1-O 3.44Å; Y1030-L1040 HydrophobicContact CG-CD2 4.14Å; Y1030-I1041 HydrophobicContact CE1-CG1 4.25Å; Y1030-I1041 HydrophobicContact CE2-CD1 3.65Å; Y1030-I1041 HydrophobicContact CE2-CG1 3.7Å; Y1030-I1041 WeakPolarHBondContact OH-CG1 3.43Å |
| 1031 | L | 65.9 | Low | 66.9 | Low | 55 Ų | 55 | 54 Ų | 54 | 29% | 0.288 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 106.9 | 177.1 | -93.2 | 166.1 | 0 | 0 | 0 | 108.3 | T943 Y944 F987 V994 N996 | T943-L1031 HydrophobicContact CG2-CD1 4.42Å; Y944-L1031 PolarHBondContact O-N 3.39Å; F987-L1031 HydrophobicContact CE1-CD2 4.27Å; V994-L1031 HydrophobicContact CB-CD2 4.23Å; V994-L1031 HydrophobicContact CG1-CB 3.56Å; V994-L1031 HydrophobicContact CG1-CD2 3.62Å; V994-L1031 HydrophobicContact CG1-CG 4.19Å; N996-L1031 WeakPolarHBondContact OD1-CD2 3.5Å; N996-L1031 WeakPolarHBondContact OD1-CG 3.35Å |
| 1032 | K | 63 | Low | 67.7 | Low | 33 Ų | 33 | 54.4 Ų | 54.4 | 14% | 0.143 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 123.4 | -175.4 | -151.8 | -167.6 | -162.7 | -164 | 0 | 113.6 | V994 R995 N1036 H1037 D1038 L1040 | V994-K1032 CarbonylContact C-O 3.57Å; V994-K1032 WeakPolarHBondContact CA-O 3.48Å; R995-K1032 PolarHBondContact N-O 2.94Å; R995-K1032 PolarHBondContact O-N 3.34Å; K1032-N1036 WeakPolarHBondContact CE-O 3.38Å; K1032-N1036 PolarHBondContact NZ-O 3.06Å; K1032-H1037 PolarHBondContact NZ-O 2.97Å; K1032-D1038 WeakPolarHBondContact CE-O 3.48Å; K1032-D1038 PolarHBondContact NZ-O 2.8Å; K1032-L1040 HydrophobicContact CB-CD1 4.21Å; K1032-L1040 HydrophobicContact CB-CD2 3.91Å; K1032-L1040 HydrophobicContact CB-CG 4.38Å; K1032-L1040 HydrophobicContact CD-CD1 4.07Å; K1032-L1040 HydrophobicContact CD-CD2 4.02Å; K1032-L1040 HydrophobicContact CD-CG 3.82Å; K1032-L1040 HydrophobicContact CG-CD1 4.38Å; K1032-L1040 HydrophobicContact CG-CD2 3.71Å; K1032-L1040 HydrophobicContact CG-CG 4.09Å |
| 1033 | S | 54.2 | Low | 68.1 | Low | 34 Ų | 34 | 53.2 Ų | 53.2 | 24% | 0.238 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 138.5 | 170.5 | -171.6 | 0 | 0 | 0 | 0 | 111.5 | T993 H1035 N1036 | T993-S1033 CarbonylContact O-C 3.57Å; T993-S1033 WeakPolarHBondContact O-CA 3.3Å; S1033-H1035 PolarHBondContact O-N 3.04Å; S1033-N1036 PolarHBondContact O-N 3.11Å |
| 1034 | L | 52.8 | Low | 68.3 | Low | 80 Ų | 80 | 57.9 Ų | 57.9 | 42% | 0.419 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -24.8 | -175.3 | -156.2 | 79.4 | 0 | 0 | 0 | 114.1 | T993 R995 | T993-L1034 HydrophobicContact CG2-CB 3.91Å; T993-L1034 HydrophobicContact CG2-CD2 4.06Å; T993-L1034 HydrophobicContact CG2-CG 4.41Å; T993-L1034 PolarHBondContact O-N 2.92Å; R995-L1034 HydrophobicContact CG-CD1 4.18Å |
| 1035 | H | 55.5 | Low | 68.4 | Low | 143 Ų | 143 | 56.3 Ų | 56.3 | 66% | 0.662 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -6.5 | -172.3 | -62.8 | 84.8 | 0 | 0 | 0 | 114.3 | S1033 | S1033-H1035 PolarHBondContact O-N 3.04Š|
| 1036 | N | 53.7 | Low | 68.4 | Low | 81 Ų | 81 | 56.7 Ų | 56.7 | 43% | 0.433 | 30% | 0.302 | S | S | . | . | trans | -94.8 | 122.2 | 176.3 | -80.6 | 68.9 | 0 | 0 | 0 | 110.5 | K1032 S1033 D1038 | K1032-N1036 WeakPolarHBondContact CE-O 3.38Å; K1032-N1036 PolarHBondContact NZ-O 3.06Å; S1033-N1036 PolarHBondContact O-N 3.11Å; N1036-D1038 PolarHBondContact ND2-OD2 3.46Å | ||
| 1037 | H | 55.4 | Low | 68.2 | Low | 178 Ų | 178 | 61.8 Ų | 61.8 | 82% | 0.824 | 32% | 0.323 | S | S | * | . | trans | -85.4 | -17.2 | 174.2 | -75.6 | -87.9 | 0 | 0 | 0 | 113.4 | K1032 | K1032-H1037 PolarHBondContact NZ-O 2.97Š| ||
| 1038 | D | 59.7 | Low | 68.2 | Low | 92 Ų | 92 | 65 Ų | 65 | 49% | 0.492 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -46.7 | 144.8 | -174.2 | -45.3 | -57.5 | 0 | 0 | 0 | 114.7 | K1032 N1036 L1040 | K1032-D1038 WeakPolarHBondContact CE-O 3.48Å; K1032-D1038 PolarHBondContact NZ-O 2.8Å; N1036-D1038 PolarHBondContact ND2-OD2 3.46Å; D1038-L1040 PolarHBondContact O-N 3.06Å |
| 1039 | P | 63.7 | Low | 68.3 | Low | 102 Ų | 102 | 64.1 Ų | 64.1 | 66% | 0.662 | 34% | 0.342 | S | S | * | . | trans | -59.9 | 129.2 | 177.2 | 26 | -34.2 | 0 | 0 | 0 | 110.8 | I1041 | P1039-I1041 PolarHBondContact O-N 2.69Š| ||
| 1040 | L | 69.7 | Low | 68.5 | Low | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.016 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -69.1 | -20 | -177 | -93.8 | 176 | 0 | 0 | 0 | 114.2 | K997 V999 Y1030 K1032 D1038 | K997-L1040 HydrophobicContact CB-CD1 4.16Å; K997-L1040 HydrophobicContact CD-CD1 3.8Å; V999-L1040 HydrophobicContact CG2-CB 4.23Å; V999-L1040 HydrophobicContact CG2-CD1 3.86Å; Y1030-L1040 HydrophobicContact CD1-CD2 4Å; Y1030-L1040 VanDerWaalsContact CE1-O 3.23Å; Y1030-L1040 WeakPolarHBondContact CE1-O 3.44Å; Y1030-L1040 HydrophobicContact CG-CD2 4.14Å; K1032-L1040 HydrophobicContact CB-CD1 4.21Å; K1032-L1040 HydrophobicContact CB-CD2 3.91Å; K1032-L1040 HydrophobicContact CB-CG 4.38Å; K1032-L1040 HydrophobicContact CD-CD1 4.07Å; K1032-L1040 HydrophobicContact CD-CD2 4.02Å; K1032-L1040 HydrophobicContact CD-CG 3.82Å; K1032-L1040 HydrophobicContact CG-CD1 4.38Å; K1032-L1040 HydrophobicContact CG-CD2 3.71Å; K1032-L1040 HydrophobicContact CG-CG 4.09Å; D1038-L1040 PolarHBondContact O-N 3.06Å |
| 1041 | I | 74.2 | Confident | 69 | Low | 9 Ų | 9 | 68.3 Ų | 68.3 | 5% | 0.046 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -133.8 | 130.1 | 177.8 | -63.6 | -169.5 | 0 | 0 | 0 | 105.7 | V999 V1001 Y1030 P1039 V1045 A1046 I1049 | V999-I1041 HydrophobicContact CB-CD1 3.86Å; V999-I1041 HydrophobicContact CB-CG1 4.43Å; V999-I1041 HydrophobicContact CG1-CD1 3.35Å; V999-I1041 HydrophobicContact CG1-CG1 3.87Å; V1001-I1041 HydrophobicContact CG2-CD1 4.16Å; Y1030-I1041 HydrophobicContact CE1-CG1 4.25Å; Y1030-I1041 HydrophobicContact CE2-CD1 3.65Å; Y1030-I1041 HydrophobicContact CE2-CG1 3.7Å; Y1030-I1041 WeakPolarHBondContact OH-CG1 3.43Å; P1039-I1041 PolarHBondContact O-N 2.69Å; I1041-V1045 HydrophobicContact CG2-CB 3.91Å; I1041-V1045 HydrophobicContact CG2-CG1 4.03Å; I1041-A1046 HydrophobicContact CG2-CB 3.69Å; I1041-A1046 VanDerWaalsContact CG2-N 3.26Å; I1041-I1049 HydrophobicContact CD1-CD1 3.95Å |
| 1042 | A | 75.2 | Confident | 69.5 | Low | 38 Ų | 38 | 68.2 Ų | 68.2 | 31% | 0.314 | 37% | 0.373 | S | S | . | . | trans | -80.5 | 148 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110 | D1044 V1045 A1046 | A1042-D1044 WeakPolarHBondContact CB-OD1 3.48Å; A1042-D1044 PolarHBondContact O-N 3.35Å; A1042-V1045 WeakPolarHBondContact O-CA 3.45Å; A1042-V1045 WeakPolarHBondContact O-CB 3.45Å; A1042-V1045 PolarHBondContact O-N 3.06Å; A1042-A1046 PolarHBondContact O-N 2.85Å | ||
| 1043 | D | 75.3 | Confident | 70.3 | Confident | 115 Ų | 115 | 67.8 Ų | 67.8 | 62% | 0.615 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -58.8 | -28 | -167.5 | -64.1 | -21.7 | 0 | 0 | 0 | 114.5 | A1046 K1047 | D1043-A1046 PolarHBondContact O-N 3.17Å; D1043-K1047 WeakPolarHBondContact O-CB 3.42Å; D1043-K1047 WeakPolarHBondContact O-CD 3.41Å; D1043-K1047 WeakPolarHBondContact O-CG 3.43Å; D1043-K1047 PolarHBondContact O-N 3.34Å |
| 1044 | D | 76.3 | Confident | 71.6 | Confident | 110 Ų | 110 | 74.2 Ų | 74.2 | 59% | 0.588 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -65.2 | -42.7 | 171.9 | 60 | -53.4 | 0 | 0 | 0 | 112.2 | A1042 S1048 | A1042-D1044 WeakPolarHBondContact CB-OD1 3.48Å; A1042-D1044 PolarHBondContact O-N 3.35Å; D1044-S1048 PolarHBondContact O-N 3.03Å; D1044-S1048 VanDerWaalsContact O-N 3.1Å |
| 1045 | V | 79.3 | Confident | 73.2 | Confident | 28 Ų | 28 | 71.2 Ų | 71.2 | 17% | 0.17 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -71.7 | -35.7 | 173.9 | -179.4 | 0 | 0 | 0 | 0 | 111.2 | I1041 A1042 S1048 I1049 | I1041-V1045 HydrophobicContact CG2-CB 3.91Å; I1041-V1045 HydrophobicContact CG2-CG1 4.03Å; A1042-V1045 WeakPolarHBondContact O-CA 3.45Å; A1042-V1045 WeakPolarHBondContact O-CB 3.45Å; A1042-V1045 PolarHBondContact O-N 3.06Å; V1045-S1048 PolarHBondContact O-N 3.28Å; V1045-S1048 PolarHBondContact O-OG 3.01Å; V1045-I1049 HydrophobicContact CG1-CD1 3.88Å; V1045-I1049 HydrophobicContact CG1-CG1 4.47Å; V1045-I1049 WeakPolarHBondContact O-CG1 3.34Å; V1045-I1049 PolarHBondContact O-N 3.08Å |
| 1046 | A | 78.9 | Confident | 74.7 | Confident | 9 Ų | 9 | 67.4 Ų | 67.4 | 7% | 0.074 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V1001 I1041 A1042 D1043 S1048 I1049 L1050 | V1001-A1046 HydrophobicContact CG1-CB 4.01Å; I1041-A1046 HydrophobicContact CG2-CB 3.69Å; I1041-A1046 VanDerWaalsContact CG2-N 3.26Å; A1042-A1046 PolarHBondContact O-N 2.85Å; D1043-A1046 PolarHBondContact O-N 3.17Å; A1046-S1048 VanDerWaalsContact C-N 3.35Å; A1046-S1048 PolarHBondContact O-N 2.93Å; A1046-I1049 PolarHBondContact O-N 2.92Å; A1046-L1050 PolarHBondContact O-N 3.3Å |
| 1047 | K | 78.8 | Confident | 76.5 | Confident | 145 Ų | 145 | 63.6 Ų | 63.6 | 63% | 0.63 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61.6 | -39 | 176.6 | -74 | 163.3 | -173.6 | 169 | 0 | 112.3 | D1043 A1051 | D1043-K1047 WeakPolarHBondContact O-CB 3.42Å; D1043-K1047 WeakPolarHBondContact O-CD 3.41Å; D1043-K1047 WeakPolarHBondContact O-CG 3.43Å; D1043-K1047 PolarHBondContact O-N 3.34Å; K1047-A1051 WeakPolarHBondContact O-CB 3.44Å; K1047-A1051 PolarHBondContact O-N 2.97Å |
| 1048 | S | 78.9 | Confident | 78.1 | Confident | 68 Ų | 68 | 58.5 Ų | 58.5 | 48% | 0.476 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70.2 | -37.7 | 177.7 | 71.4 | 0 | 0 | 0 | 0 | 113.2 | D1044 V1045 A1046 A1051 E1052 | D1044-S1048 PolarHBondContact O-N 3.03Å; D1044-S1048 VanDerWaalsContact O-N 3.1Å; V1045-S1048 PolarHBondContact O-N 3.28Å; V1045-S1048 PolarHBondContact O-OG 3.01Å; A1046-S1048 VanDerWaalsContact C-N 3.35Å; A1046-S1048 PolarHBondContact O-N 2.93Å; S1048-A1051 PolarHBondContact O-N 3.26Å; S1048-E1052 PolarHBondContact O-N 2.85Å |
| 1049 | I | 79.7 | Confident | 79.4 | Confident | 9 Ų | 9 | 58.2 Ų | 58.2 | 5% | 0.046 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66 | -41.7 | 174.3 | -69.1 | 165.1 | 0 | 0 | 0 | 111 | V1001 N1026 R1028 I1041 V1045 A1046 E1052 S1053 | V1001-I1049 HydrophobicContact CB-CG2 4.36Å; V1001-I1049 HydrophobicContact CG2-CB 4.16Å; V1001-I1049 HydrophobicContact CG2-CG2 3.79Å; N1026-I1049 WeakPolarHBondContact O-CG2 3.23Å; R1028-I1049 HydrophobicContact CG-CD1 3.87Å; R1028-I1049 HydrophobicContact CG-CG1 4.45Å; I1041-I1049 HydrophobicContact CD1-CD1 3.95Å; V1045-I1049 HydrophobicContact CG1-CD1 3.88Å; V1045-I1049 HydrophobicContact CG1-CG1 4.47Å; V1045-I1049 WeakPolarHBondContact O-CG1 3.34Å; V1045-I1049 PolarHBondContact O-N 3.08Å; A1046-I1049 PolarHBondContact O-N 2.92Å; I1049-E1052 PolarHBondContact O-N 3.28Å; I1049-S1053 WeakPolarHBondContact O-CB 3.32Å; I1049-S1053 PolarHBondContact O-N 3.45Å |
| 1050 | L | 80.1 | Confident | 80.7 | Confident | 38 Ų | 38 | 53.4 Ų | 53.4 | 20% | 0.199 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.4 | -45.3 | 171.5 | -91.7 | 166.6 | 0 | 0 | 0 | 111.9 | V1001 A1046 S1053 R1054 | V1001-L1050 HydrophobicContact CB-CG 4.08Å; V1001-L1050 HydrophobicContact CG1-CD1 3.61Å; V1001-L1050 HydrophobicContact CG1-CD2 4.43Å; V1001-L1050 HydrophobicContact CG1-CG 3.59Å; A1046-L1050 PolarHBondContact O-N 3.3Å; L1050-S1053 PolarHBondContact O-N 3.16Å; L1050-S1053 PolarHBondContact O-OG 3.45Å; L1050-R1054 PolarHBondContact O-N 3.02Å |
| 1051 | A | 78.9 | Confident | 81.7 | Confident | 64 Ų | 64 | 55.1 Ų | 55.1 | 53% | 0.529 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K1047 S1048 S1053 R1054 | K1047-A1051 WeakPolarHBondContact O-CB 3.44Å; K1047-A1051 PolarHBondContact O-N 2.97Å; S1048-A1051 PolarHBondContact O-N 3.26Å; A1051-S1053 VanDerWaalsContact C-N 3.27Å; A1051-S1053 PolarHBondContact O-N 3.26Å; A1051-R1054 PolarHBondContact O-N 3.41Å |
| 1052 | E | 76.7 | Confident | 82.6 | Confident | 54 Ų | 54 | 55.5 Ų | 55.5 | 25% | 0.252 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.5 | -30.5 | 175.9 | 179.5 | 167.7 | -135.3 | 0 | 0 | 112.8 | R1028 S1048 I1049 R1054 R1459 | R1028-E1052 IonicContact CZ-OE2 3.67Å; R1028-E1052 IonicContact NH2-OE2 3.44Å; R1028-E1052 PolarHBondContact NH2-OE2 3.13Å; S1048-E1052 PolarHBondContact O-N 2.85Å; I1049-E1052 PolarHBondContact O-N 3.28Å; E1052-R1054 VanDerWaalsContact C-N 3.28Å; E1052-R1054 PolarHBondContact O-N 2.78Å; E1052-R1459 IonicContact OE1-CZ 2.85Å; E1052-R1459 IonicContact OE1-NE 3.16Å; E1052-R1459 IonicContact OE1-NH2 3.83Å; E1052-R1459 PolarHBondContact OE1-NH2 2.76Å |
| 1053 | S | 79.3 | Confident | 83.4 | Confident | 23 Ų | 23 | 57.3 Ų | 57.3 | 16% | 0.161 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.8 | -19.9 | 177.8 | 75.8 | 0 | 0 | 0 | 0 | 114.7 | I1049 L1050 A1051 V1055 | I1049-S1053 WeakPolarHBondContact O-CB 3.32Å; I1049-S1053 PolarHBondContact O-N 3.45Å; L1050-S1053 PolarHBondContact O-N 3.16Å; L1050-S1053 PolarHBondContact O-OG 3.45Å; A1051-S1053 VanDerWaalsContact C-N 3.27Å; A1051-S1053 PolarHBondContact O-N 3.26Å; S1053-V1055 VanDerWaalsContact C-N 3.28Å; S1053-V1055 PolarHBondContact O-N 2.86Å |
| 1054 | R | 81.9 | Confident | 84.1 | Confident | 169 Ų | 169 | 55.8 Ų | 55.8 | 64% | 0.638 | 30% | 0.298 | S | S | * | . | trans | -84.6 | 69.1 | 178.9 | -70.7 | -176.5 | 174.7 | -166.5 | -2.4 | 111.4 | L1050 A1051 E1052 T1056 Q1059 | L1050-R1054 PolarHBondContact O-N 3.02Å; A1051-R1054 PolarHBondContact O-N 3.41Å; E1052-R1054 VanDerWaalsContact C-N 3.28Å; E1052-R1054 PolarHBondContact O-N 2.78Å; R1054-T1056 PolarHBondContact O-N 2.88Å; R1054-Q1059 PolarHBondContact O-NE2 2.9Å | ||
| 1055 | V | 86.2 | Confident | 84.9 | Confident | 17 Ų | 17 | 50.6 Ų | 50.6 | 10% | 0.103 | 27% | 0.27 | C | S | . | . | trans | -71.9 | 122.8 | 173.1 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | L1025 S1053 L1060 R1459 | L1025-V1055 HydrophobicContact CD1-CG2 3.37Å; S1053-V1055 VanDerWaalsContact C-N 3.28Å; S1053-V1055 PolarHBondContact O-N 2.86Å; V1055-L1060 HydrophobicContact CG1-CD1 4.14Å; V1055-L1060 HydrophobicContact CG1-CD2 3.66Å; V1055-L1060 HydrophobicContact CG1-CG 3.81Å; V1055-R1459 HydrophobicContact CG1-CB 4.23Å; V1055-R1459 HydrophobicContact CG2-CB 3.87Å; V1055-R1459 HydrophobicContact CG2-CG 3.79Å | ||
| 1056 | T | 87.5 | Confident | 85.7 | Confident | 64 Ų | 64 | 49.2 Ų | 49.2 | 39% | 0.393 | 26% | 0.262 | S | S | . | . | trans | -104.2 | 153.1 | 167.9 | 58 | 0 | 0 | 0 | 0 | 110 | R1054 T1058 Q1059 | R1054-T1056 PolarHBondContact O-N 2.88Å; T1056-T1058 PolarHBondContact O-N 3.41Å; T1056-T1058 VanDerWaalsContact O-N 3.1Å; T1056-T1058 PolarHBondContact OG1-OG1 2.97Å; T1056-Q1059 WeakPolarHBondContact O-CB 3.49Å; T1056-Q1059 PolarHBondContact O-N 3.35Å; T1056-Q1059 WeakPolarHBondContact OG1-CG 3.45Å; T1056-Q1059 PolarHBondContact OG1-NE2 3.4Å | ||
| 1057 | F | 92 | Very high | 86.3 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -50.7 | -36.7 | 175.8 | 176.4 | -121.4 | 0 | 0 | 0 | 112.9 | Q1059 L1060 L1065 W1136 L1153 R1156 F1157 L1160 Y1463 | F1057-Q1059 PolarHBondContact O-N 3.36Å; F1057-Q1059 VanDerWaalsContact O-N 3.17Å; F1057-L1060 PolarHBondContact O-N 3.46Å; F1057-L1060 VanDerWaalsContact O-N 3.11Å; F1057-L1065 HydrophobicContact CD2-CD2 3.83Å; F1057-L1065 HydrophobicContact CE2-CD2 3.56Å; F1057-W1136 HydrophobicContact CD2-CH2 4.36Å; F1057-W1136 AromaticContact CD2-CZ2 3.7Å; F1057-W1136 HydrophobicContact CD2-CZ2 3.7Å; F1057-W1136 AromaticContact CE2-CH2 3.88Å; F1057-W1136 HydrophobicContact CE2-CH2 3.88Å; F1057-W1136 AromaticContact CE2-CZ2 3.61Å; F1057-W1136 HydrophobicContact CE2-CZ2 3.61Å; F1057-W1136 HydrophobicContact CZ-CZ2 4.47Å; F1057-L1153 HydrophobicContact CD1-CD2 3.72Å; F1057-L1153 HydrophobicContact CE1-CD2 4.4Å; F1057-R1156 HydrophobicContact CE1-CB 3.77Å; F1057-R1156 VanDerWaalsContact CE1-CD 3.48Å; F1057-R1156 HydrophobicContact CE1-CG 3.87Å; F1057-R1156 HydrophobicContact CZ-CB 4.09Å; F1057-R1156 HydrophobicContact CZ-CG 3.83Å; F1057-R1156 PolarHBondContact O-NE 2.79Å; F1057-F1157 HydrophobicContact CD1-CE2 4.17Å; F1057-F1157 HydrophobicContact CD1-CZ 4.01Å; F1057-F1157 AromaticContact CE1-CD1 3.97Å; F1057-F1157 HydrophobicContact CE1-CD1 3.97Å; F1057-F1157 AromaticContact CE1-CD2 3.85Å; F1057-F1157 HydrophobicContact CE1-CD2 3.85Å; F1057-F1157 AromaticContact CE1-CE1 3.73Å; F1057-F1157 HydrophobicContact CE1-CE1 3.73Å; F1057-F1157 AromaticContact CE1-CE2 3.6Å; F1057-F1157 HydrophobicContact CE1-CE2 3.6Å; F1057-F1157 HydrophobicContact CE1-CG 4.03Å; F1057-F1157 AromaticContact CE1-CZ 3.53Å; F1057-F1157 HydrophobicContact CE1-CZ 3.53Å; F1057-F1157 HydrophobicContact CE2-CD1 4.37Å; F1057-F1157 AromaticContact CE2-CE1 3.93Å; F1057-F1157 HydrophobicContact CE2-CE1 3.93Å; F1057-F1157 HydrophobicContact CE2-CZ 4.33Å; F1057-F1157 AromaticContact CZ-CD1 3.53Å; F1057-F1157 HydrophobicContact CZ-CD1 3.53Å; F1057-F1157 HydrophobicContact CZ-CD2 4.26Å; F1057-F1157 AromaticContact CZ-CE1 3.4Å; F1057-F1157 HydrophobicContact CZ-CE1 3.4Å; F1057-F1157 HydrophobicContact CZ-CE2 4.14Å; F1057-F1157 AromaticContact CZ-CG 3.98Å; F1057-F1157 HydrophobicContact CZ-CG 3.98Å; F1057-F1157 AromaticContact CZ-CZ 3.72Å; F1057-F1157 HydrophobicContact CZ-CZ 3.72Å; F1057-L1160 HydrophobicContact CE2-CD2 4.17Å; F1057-L1160 HydrophobicContact CZ-CD2 4.41Å; F1057-Y1463 HydrophobicContact CB-CE2 4.13Å |
| 1058 | T | 87.2 | Confident | 86.8 | Confident | 70 Ų | 70 | 44.4 Ų | 44.4 | 43% | 0.429 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -60.8 | -20 | 175.7 | 48.9 | 0 | 0 | 0 | 0 | 115.1 | T1056 L1153 R1156 | T1056-T1058 PolarHBondContact O-N 3.41Å; T1056-T1058 VanDerWaalsContact O-N 3.1Å; T1056-T1058 PolarHBondContact OG1-OG1 2.97Å; T1058-L1153 HydrophobicContact CG2-CD2 3.85Å; T1058-R1156 VanDerWaalsContact O-CZ 3.22Å; T1058-R1156 PolarHBondContact O-NH1 2.99Å; T1058-R1156 VanDerWaalsContact O-NH1 3.1Å; T1058-R1156 PolarHBondContact O-NH2 2.68Å |
| 1059 | Q | 87.1 | Confident | 87.4 | Confident | 87 Ų | 87 | 41.4 Ų | 41.4 | 41% | 0.407 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -89.5 | -19.4 | 176.3 | -63.1 | 169.8 | 46.1 | 0 | 0 | 113.5 | R1054 T1056 F1057 | R1054-Q1059 PolarHBondContact O-NE2 2.9Å; T1056-Q1059 WeakPolarHBondContact O-CB 3.49Å; T1056-Q1059 PolarHBondContact O-N 3.35Å; T1056-Q1059 WeakPolarHBondContact OG1-CG 3.45Å; T1056-Q1059 PolarHBondContact OG1-NE2 3.4Å; F1057-Q1059 PolarHBondContact O-N 3.36Å; F1057-Q1059 VanDerWaalsContact O-N 3.17Å |
| 1060 | L | 92.1 | Very high | 88.1 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -85.6 | 120.8 | -173.7 | -66.3 | 178.3 | 0 | 0 | 0 | 111.3 | V1055 F1057 L1065 R1156 M1456 R1459 I1460 Y1463 | V1055-L1060 HydrophobicContact CG1-CD1 4.14Å; V1055-L1060 HydrophobicContact CG1-CD2 3.66Å; V1055-L1060 HydrophobicContact CG1-CG 3.81Å; F1057-L1060 PolarHBondContact O-N 3.46Å; F1057-L1060 VanDerWaalsContact O-N 3.11Å; L1060-L1065 HydrophobicContact CB-CD2 4.19Å; L1060-L1065 HydrophobicContact CD1-CD1 4.26Å; L1060-L1065 HydrophobicContact CD1-CD2 4.4Å; L1060-R1156 PolarHBondContact O-NE 3.12Å; L1060-R1156 PolarHBondContact O-NH2 3.41Å; L1060-M1456 HydrophobicContact CD2-SD 4.01Å; L1060-R1459 HydrophobicContact CD2-CB 3.86Å; L1060-I1460 HydrophobicContact CD1-CG1 4.31Å; L1060-I1460 HydrophobicContact CD2-CG1 3.86Å; L1060-Y1463 HydrophobicContact CD1-CD1 3.84Å; L1060-Y1463 HydrophobicContact CD1-CG 3.86Å |
| 1061 | P | 91.4 | Very high | 88.6 | Confident | 39 Ų | 39 | 41 Ų | 41 | 25% | 0.253 | 22% | 0.218 | S | C | . | . | trans | -66.6 | 126.5 | -179.8 | 26.3 | -31.3 | 0 | 0 | 0 | 109.8 | N1063 E1064 L1065 M1456 | P1061-N1063 PolarHBondContact O-N 2.95Å; P1061-N1063 VanDerWaalsContact O-N 3.13Å; P1061-E1064 HydrophobicContact CG-CB 4.19Å; P1061-E1064 HydrophobicContact CG-CG 4.23Å; P1061-E1064 WeakPolarHBondContact CG-OE2 3.17Å; P1061-E1064 PolarHBondContact O-N 2.81Å; P1061-L1065 PolarHBondContact O-N 3.25Å; P1061-L1065 VanDerWaalsContact O-N 3.1Å; P1061-M1456 WeakPolarHBondContact CD-SD 3.38Å; P1061-M1456 HydrophobicContact CG-CE 3.78Å; P1061-M1456 HydrophobicContact CG-CG 4.23Å; P1061-M1456 HydrophobicContact CG-SD 4.06Å | ||
| 1062 | P | 92.5 | Very high | 89.2 | Confident | 17 Ų | 17 | 40.1 Ų | 40.1 | 11% | 0.11 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.1 | -27.1 | -165.7 | 25.8 | -35.5 | 0 | 0 | 0 | 113.1 | A1066 K1159 L1160 L1163 | P1062-A1066 WeakPolarHBondContact O-CB 3.41Å; P1062-A1066 PolarHBondContact O-N 3.3Å; P1062-K1159 HydrophobicContact CG-CD 4.1Å; P1062-L1160 HydrophobicContact CB-CD1 4.44Å; P1062-L1163 HydrophobicContact CB-CD1 3.81Å; P1062-L1163 HydrophobicContact CG-CD1 4.28Å |
| 1063 | N | 92.1 | Very high | 90 | Very high | 76 Ų | 76 | 37.6 Ų | 37.6 | 41% | 0.406 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -66.8 | -45.3 | 177 | -63.9 | 57.7 | 0 | 0 | 0 | 112.7 | P1061 L1065 A1067 | P1061-N1063 PolarHBondContact O-N 2.95Å; P1061-N1063 VanDerWaalsContact O-N 3.13Å; N1063-L1065 VanDerWaalsContact C-N 3.33Å; N1063-A1067 VanDerWaalsContact O-CB 3.24Å; N1063-A1067 WeakPolarHBondContact O-CB 3.23Å; N1063-A1067 PolarHBondContact O-N 3.41Å; N1063-A1067 VanDerWaalsContact O-N 3.1Å |
| 1064 | E | 89.8 | Confident | 90.6 | Very high | 82 Ų | 82 | 36.9 Ų | 36.9 | 38% | 0.383 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -75.3 | -28.3 | 178.3 | -58.1 | -175.1 | 120 | 0 | 0 | 111 | P1061 R1068 M1456 I1460 | P1061-E1064 HydrophobicContact CG-CB 4.19Å; P1061-E1064 HydrophobicContact CG-CG 4.23Å; P1061-E1064 WeakPolarHBondContact CG-OE2 3.17Å; P1061-E1064 PolarHBondContact O-N 2.81Å; E1064-R1068 WeakPolarHBondContact O-CB 3.47Å; E1064-R1068 PolarHBondContact O-N 3.07Å; E1064-M1456 HydrophobicContact CB-CG 4.49Å; E1064-M1456 WeakPolarHBondContact OE2-CG 3.4Å; E1064-I1460 HydrophobicContact CB-CD1 4.39Å |
| 1065 | L | 93.3 | Very high | 91 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.1 | -52.1 | 172.9 | -174.5 | 55.1 | 0 | 0 | 0 | 112 | F1057 L1060 P1061 N1063 A1067 R1068 L1069 W1136 L1160 I1460 F1464 | F1057-L1065 HydrophobicContact CD2-CD2 3.83Å; F1057-L1065 HydrophobicContact CE2-CD2 3.56Å; L1060-L1065 HydrophobicContact CB-CD2 4.19Å; L1060-L1065 HydrophobicContact CD1-CD1 4.26Å; L1060-L1065 HydrophobicContact CD1-CD2 4.4Å; P1061-L1065 PolarHBondContact O-N 3.25Å; P1061-L1065 VanDerWaalsContact O-N 3.1Å; N1063-L1065 VanDerWaalsContact C-N 3.33Å; L1065-A1067 VanDerWaalsContact C-N 3.32Å; L1065-A1067 PolarHBondContact O-N 2.71Å; L1065-R1068 PolarHBondContact O-N 3.42Å; L1065-L1069 HydrophobicContact CD1-CD1 4.33Å; L1065-L1069 HydrophobicContact CD1-CG 4.44Å; L1065-L1069 HydrophobicContact CG-CD1 4.23Å; L1065-L1069 WeakPolarHBondContact O-CB 3.49Å; L1065-L1069 WeakPolarHBondContact O-CG 3.24Å; L1065-L1069 PolarHBondContact O-N 3.09Å; L1065-W1136 HydrophobicContact CD2-CH2 4.22Å; L1065-L1160 HydrophobicContact CB-CD1 4.16Å; L1065-L1160 HydrophobicContact CD2-CD1 4.17Å; L1065-L1160 HydrophobicContact CD2-CD2 4.25Å; L1065-L1160 HydrophobicContact CG-CD1 4Å; L1065-I1460 HydrophobicContact CD1-CG1 4.18Å; L1065-I1460 HydrophobicContact CD1-CG2 3.71Å; L1065-F1464 HydrophobicContact CD1-CE2 3.59Å; L1065-F1464 HydrophobicContact CD1-CZ 3.81Å |
| 1066 | A | 94.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.3 | -40.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P1062 T1070 L1160 L1163 L1167 | P1062-A1066 WeakPolarHBondContact O-CB 3.41Å; P1062-A1066 PolarHBondContact O-N 3.3Å; A1066-T1070 WeakPolarHBondContact O-CB 3.32Å; A1066-T1070 PolarHBondContact O-N 3.39Å; A1066-T1070 PolarHBondContact O-OG1 2.74Å; A1066-L1160 HydrophobicContact CB-CD1 3.88Å; A1066-L1163 HydrophobicContact CB-CB 3.68Å; A1066-L1167 HydrophobicContact CB-CD1 3.91Å |
| 1067 | A | 91.3 | Very high | 91.6 | Very high | 19 Ų | 19 | 30.8 Ų | 30.8 | 16% | 0.157 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.1 | -38.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N1063 L1065 I1071 L1284 | N1063-A1067 VanDerWaalsContact O-CB 3.24Å; N1063-A1067 WeakPolarHBondContact O-CB 3.23Å; N1063-A1067 PolarHBondContact O-N 3.41Å; N1063-A1067 VanDerWaalsContact O-N 3.1Å; L1065-A1067 VanDerWaalsContact C-N 3.32Å; L1065-A1067 PolarHBondContact O-N 2.71Å; A1067-I1071 WeakPolarHBondContact O-CG1 3.15Å; A1067-I1071 PolarHBondContact O-N 3.16Å; A1067-L1284 HydrophobicContact CB-CD1 3.95Å; A1067-L1284 HydrophobicContact CB-CD2 3.75Å |
| 1068 | R | 90.1 | Very high | 91.5 | Very high | 34 Ų | 34 | 36 Ų | 36 | 13% | 0.128 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -76.7 | -42.2 | 177.4 | -174.4 | 63.5 | -146.9 | 165.1 | 5.9 | 112.3 | E1064 L1065 T1070 I1071 D1072 E1075 I1460 | E1064-R1068 WeakPolarHBondContact O-CB 3.47Å; E1064-R1068 PolarHBondContact O-N 3.07Å; L1065-R1068 PolarHBondContact O-N 3.42Å; R1068-T1070 PolarHBondContact O-N 3.28Å; R1068-I1071 PolarHBondContact O-N 2.81Å; R1068-I1071 VanDerWaalsContact O-N 3.15Å; R1068-D1072 WeakPolarHBondContact CG-OD2 3.43Å; R1068-D1072 IonicContact CZ-OD1 2.86Å; R1068-D1072 IonicContact CZ-OD2 3.5Å; R1068-D1072 VanDerWaalsContact NE-CG 3.32Å; R1068-D1072 IonicContact NE-OD1 3.98Å; R1068-D1072 PolarHBondContact NE-OD1 2.79Å; R1068-D1072 IonicContact NE-OD2 2.72Å; R1068-D1072 PolarHBondContact NE-OD2 2.88Å; R1068-D1072 VanDerWaalsContact NH2-CG 3.32Å; R1068-D1072 IonicContact NH2-OD1 2.69Å; R1068-D1072 PolarHBondContact NH2-OD1 3.22Å; R1068-D1072 IonicContact NH2-OD2 4Å; R1068-D1072 PolarHBondContact O-N 2.87Å; R1068-E1075 IonicContact NH1-OE1 3.22Å; R1068-E1075 IonicContact NH2-OE1 3.74Å; R1068-E1075 PolarHBondContact NH2-OE1 3.36Å; R1068-E1075 IonicContact NH2-OE2 2.72Å; R1068-I1460 HydrophobicContact CB-CD1 4.19Å; R1068-I1460 HydrophobicContact CB-CG2 4.33Å; R1068-I1460 HydrophobicContact CG-CG2 4.22Å |
| 1069 | L | 92.1 | Very high | 91.6 | Very high | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -51.9 | -54.5 | 172.5 | -79.8 | 171.9 | 0 | 0 | 0 | 111 | L1065 I1071 D1072 D1073 E1133 W1136 L1160 T1172 F1464 | L1065-L1069 HydrophobicContact CD1-CD1 4.33Å; L1065-L1069 HydrophobicContact CD1-CG 4.44Å; L1065-L1069 HydrophobicContact CG-CD1 4.23Å; L1065-L1069 WeakPolarHBondContact O-CB 3.49Å; L1065-L1069 WeakPolarHBondContact O-CG 3.24Å; L1065-L1069 PolarHBondContact O-N 3.09Å; L1069-I1071 PolarHBondContact O-N 3.26Å; L1069-I1071 VanDerWaalsContact O-N 3.13Å; L1069-D1072 PolarHBondContact O-N 2.69Å; L1069-D1072 VanDerWaalsContact O-N 3.08Å; L1069-D1073 WeakPolarHBondContact O-CB 3.47Å; L1069-D1073 PolarHBondContact O-N 3.02Å; L1069-E1133 VanDerWaalsContact CD2-OE1 3.29Å; L1069-E1133 WeakPolarHBondContact CD2-OE1 3.5Å; L1069-W1136 HydrophobicContact CD1-CH2 4.18Å; L1069-W1136 HydrophobicContact CD1-CZ3 3.9Å; L1069-L1160 HydrophobicContact CD1-CD2 4.23Å; L1069-T1172 HydrophobicContact CD1-CG2 4.23Å; L1069-F1464 HydrophobicContact CD1-CZ 4.15Å; L1069-F1464 HydrophobicContact CD2-CE1 4.33Å; L1069-F1464 HydrophobicContact CD2-CE2 3.64Å; L1069-F1464 HydrophobicContact CD2-CZ 3.51Å; L1069-F1464 HydrophobicContact CG-CE2 4.11Å; L1069-F1464 HydrophobicContact CG-CZ 4.05Å |
| 1070 | T | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.1 | -30.8 | -179.3 | -54.9 | 0 | 0 | 0 | 0 | 113.3 | A1066 R1068 Y1074 L1167 N1169 Y1282 | A1066-T1070 WeakPolarHBondContact O-CB 3.32Å; A1066-T1070 PolarHBondContact O-N 3.39Å; A1066-T1070 PolarHBondContact O-OG1 2.74Å; R1068-T1070 PolarHBondContact O-N 3.28Å; T1070-Y1074 WeakPolarHBondContact O-CB 3.42Å; T1070-Y1074 PolarHBondContact O-N 3.5Å; T1070-Y1074 VanDerWaalsContact O-N 3.12Å; T1070-L1167 HydrophobicContact CG2-CB 4.39Å; T1070-N1169 HydrophobicContact CG2-CB 3.8Å; T1070-N1169 WeakPolarHBondContact OG1-CB 3.33Å; T1070-N1169 PolarHBondContact OG1-ND2 3.18Å; T1070-N1169 VanDerWaalsContact OG1-ND2 3.09Å; T1070-Y1282 HydrophobicContact CG2-CD2 4.36Å; T1070-Y1282 HydrophobicContact CG2-CE1 4.1Å; T1070-Y1282 HydrophobicContact CG2-CE2 3.62Å; T1070-Y1282 VanDerWaalsContact CG2-CZ 3.5Å |
| 1071 | I | 90.8 | Very high | 91.6 | Very high | 38 Ų | 38 | 33 Ų | 33 | 20% | 0.195 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -75.2 | -48.9 | 173.1 | -70.6 | 172.6 | 0 | 0 | 0 | 111.7 | A1067 R1068 L1069 D1073 Y1074 E1075 Y1282 L1284 | A1067-I1071 WeakPolarHBondContact O-CG1 3.15Å; A1067-I1071 PolarHBondContact O-N 3.16Å; R1068-I1071 PolarHBondContact O-N 2.81Å; R1068-I1071 VanDerWaalsContact O-N 3.15Å; L1069-I1071 PolarHBondContact O-N 3.26Å; L1069-I1071 VanDerWaalsContact O-N 3.13Å; I1071-D1073 VanDerWaalsContact C-N 3.28Å; I1071-D1073 PolarHBondContact O-N 3.23Å; I1071-Y1074 PolarHBondContact O-N 3.46Å; I1071-E1075 HydrophobicContact CG2-CG 4.23Å; I1071-E1075 WeakPolarHBondContact CG2-OE1 3.37Å; I1071-E1075 WeakPolarHBondContact O-CB 2.91Å; I1071-E1075 WeakPolarHBondContact O-CG 3.25Å; I1071-E1075 PolarHBondContact O-N 2.99Å; I1071-Y1282 HydrophobicContact CG1-CD1 4.42Å; I1071-L1284 HydrophobicContact CD1-CD1 3.5Å; I1071-L1284 HydrophobicContact CD1-CG 4.09Å; I1071-L1284 HydrophobicContact CG1-CD1 4.43Å |
| 1072 | D | 89.8 | Confident | 91.6 | Very high | 46 Ų | 46 | 32.2 Ų | 32.2 | 25% | 0.246 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.3 | -40.5 | 179.7 | -80.2 | -54.3 | 0 | 0 | 0 | 111.4 | R1068 L1069 I1076 | R1068-D1072 WeakPolarHBondContact CG-OD2 3.43Å; R1068-D1072 IonicContact CZ-OD1 2.86Å; R1068-D1072 IonicContact CZ-OD2 3.5Å; R1068-D1072 VanDerWaalsContact NE-CG 3.32Å; R1068-D1072 IonicContact NE-OD1 3.98Å; R1068-D1072 PolarHBondContact NE-OD1 2.79Å; R1068-D1072 IonicContact NE-OD2 2.72Å; R1068-D1072 PolarHBondContact NE-OD2 2.88Å; R1068-D1072 VanDerWaalsContact NH2-CG 3.32Å; R1068-D1072 IonicContact NH2-OD1 2.69Å; R1068-D1072 PolarHBondContact NH2-OD1 3.22Å; R1068-D1072 IonicContact NH2-OD2 4Å; R1068-D1072 PolarHBondContact O-N 2.87Å; L1069-D1072 PolarHBondContact O-N 2.69Å; L1069-D1072 VanDerWaalsContact O-N 3.08Å; D1072-I1076 PolarHBondContact O-N 3.38Å |
| 1073 | D | 93.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.6 | -46 | 174.6 | -81.1 | 38.8 | 0 | 0 | 0 | 112.6 | L1069 I1071 I1076 F1077 L1129 N1171 T1172 L1233 | L1069-D1073 WeakPolarHBondContact O-CB 3.47Å; L1069-D1073 PolarHBondContact O-N 3.02Å; I1071-D1073 VanDerWaalsContact C-N 3.28Å; I1071-D1073 PolarHBondContact O-N 3.23Å; D1073-I1076 PolarHBondContact O-N 3.38Å; D1073-I1076 VanDerWaalsContact O-N 3.14Å; D1073-F1077 WeakPolarHBondContact O-CB 3.32Å; D1073-F1077 PolarHBondContact O-N 3.43Å; D1073-L1129 WeakPolarHBondContact OD1-CD1 3.31Å; D1073-L1129 WeakPolarHBondContact OD1-CD2 3.21Å; D1073-L1129 WeakPolarHBondContact OD2-CD2 3.42Å; D1073-N1171 PolarHBondContact OD2-ND2 3.2Å; D1073-T1172 PolarHBondContact OD2-OG1 3.39Å; D1073-L1233 HydrophobicContact CB-CD2 3.56Å |
| 1074 | Y | 93.1 | Very high | 91.6 | Very high | 7 Ų | 7 | 28 Ų | 28 | 3% | 0.027 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -70.1 | -31.8 | -179.2 | -163.1 | -92.6 | 0 | 0 | 0 | 112.3 | T1070 I1071 I1076 F1077 R1078 P1231 L1233 M1277 C1278 V1280 Y1282 | T1070-Y1074 WeakPolarHBondContact O-CB 3.42Å; T1070-Y1074 PolarHBondContact O-N 3.5Å; T1070-Y1074 VanDerWaalsContact O-N 3.12Å; I1071-Y1074 PolarHBondContact O-N 3.46Å; Y1074-I1076 VanDerWaalsContact C-N 3.29Å; Y1074-I1076 PolarHBondContact O-N 2.94Å; Y1074-F1077 HydrophobicContact CD2-CD1 4.26Å; Y1074-F1077 HydrophobicContact CE2-CD1 4.29Å; Y1074-R1078 WeakPolarHBondContact O-CB 3.37Å; Y1074-R1078 PolarHBondContact O-N 3.48Å; Y1074-P1231 HydrophobicContact CE1-CB 4.37Å; Y1074-P1231 HydrophobicContact CE2-CB 3.94Å; Y1074-P1231 WeakPolarHBondContact OH-CB 3.45Å; Y1074-L1233 HydrophobicContact CD2-CD1 3.82Å; Y1074-L1233 HydrophobicContact CG-CD1 4.47Å; Y1074-M1277 PolarHBondContact OH-O 2.82Å; Y1074-C1278 VanDerWaalsContact OH-C 3.3Å; Y1074-C1278 VanDerWaalsContact OH-CA 3.25Å; Y1074-C1278 WeakPolarHBondContact OH-CA 3.39Å; Y1074-C1278 PolarHBondContact OH-O 3.48Å; Y1074-V1280 VanDerWaalsContact CE1-O 3.29Å; Y1074-V1280 WeakPolarHBondContact CE1-O 3.31Å; Y1074-V1280 PolarHBondContact OH-O 2.79Å; Y1074-Y1282 HydrophobicContact CD1-CD2 4.4Å; Y1074-Y1282 HydrophobicContact CD2-CD2 4.04Å; Y1074-Y1282 HydrophobicContact CE2-CD2 4.37Å; Y1074-Y1282 HydrophobicContact CG-CD2 4.06Å; Y1074-Y1282 HydrophobicContact CG-CG 4.5Å |
| 1075 | E | 90.1 | Very high | 91.8 | Very high | 104 Ų | 104 | 24.2 Ų | 24.2 | 49% | 0.486 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -59.8 | -39 | 168.8 | -76.9 | 176.3 | -149.9 | 0 | 0 | 111.1 | R1068 I1071 S1079 | R1068-E1075 IonicContact NH1-OE1 3.22Å; R1068-E1075 IonicContact NH2-OE1 3.74Å; R1068-E1075 PolarHBondContact NH2-OE1 3.36Å; R1068-E1075 IonicContact NH2-OE2 2.72Å; I1071-E1075 HydrophobicContact CG2-CG 4.23Å; I1071-E1075 WeakPolarHBondContact CG2-OE1 3.37Å; I1071-E1075 WeakPolarHBondContact O-CB 2.91Å; I1071-E1075 WeakPolarHBondContact O-CG 3.25Å; I1071-E1075 PolarHBondContact O-N 2.99Å; E1075-S1079 PolarHBondContact O-N 3.05Å |
| 1076 | I | 91.7 | Very high | 91.8 | Very high | 17 Ų | 17 | 24.2 Ų | 24.2 | 9% | 0.087 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -75.9 | -50.7 | 176.8 | -70.2 | 167.2 | 0 | 0 | 0 | 111.6 | D1072 D1073 Y1074 R1078 S1079 V1080 F1126 L1129 | D1072-I1076 PolarHBondContact O-N 3.38Å; D1073-I1076 PolarHBondContact O-N 3.38Å; D1073-I1076 VanDerWaalsContact O-N 3.14Å; Y1074-I1076 VanDerWaalsContact C-N 3.29Å; Y1074-I1076 PolarHBondContact O-N 2.94Å; I1076-R1078 VanDerWaalsContact C-N 3.29Å; I1076-R1078 PolarHBondContact O-N 3.17Å; I1076-S1079 WeakPolarHBondContact O-CA 3.46Å; I1076-S1079 WeakPolarHBondContact O-CB 3.42Å; I1076-S1079 PolarHBondContact O-N 3.32Å; I1076-S1079 PolarHBondContact O-OG 2.82Å; I1076-V1080 PolarHBondContact O-N 2.88Å; I1076-F1126 HydrophobicContact CG2-CB 3.75Å; I1076-F1126 HydrophobicContact CG2-CD2 4.01Å; I1076-F1126 HydrophobicContact CG2-CG 4.1Å; I1076-L1129 HydrophobicContact CD1-CD1 3.59Å |
| 1077 | F | 93.5 | Very high | 91.7 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.009 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.5 | -39.2 | 177.7 | 173.7 | -124 | 0 | 0 | 0 | 113.2 | D1073 Y1074 S1079 V1080 F1126 L1233 P1234 I1274 M1277 C1278 | D1073-F1077 WeakPolarHBondContact O-CB 3.32Å; D1073-F1077 PolarHBondContact O-N 3.43Å; Y1074-F1077 HydrophobicContact CD2-CD1 4.26Å; Y1074-F1077 HydrophobicContact CE2-CD1 4.29Å; F1077-S1079 VanDerWaalsContact C-N 3.27Å; F1077-S1079 PolarHBondContact O-N 3.47Å; F1077-V1080 WeakPolarHBondContact O-CB 3.08Å; F1077-V1080 PolarHBondContact O-N 3.21Å; F1077-F1126 HydrophobicContact CB-CD1 4.36Å; F1077-F1126 HydrophobicContact CB-CE1 3.9Å; F1077-F1126 HydrophobicContact CB-CE2 4.43Å; F1077-F1126 HydrophobicContact CB-CZ 3.95Å; F1077-F1126 HydrophobicContact CD2-CD1 4.08Å; F1077-F1126 AromaticContact CD2-CE1 3.48Å; F1077-F1126 HydrophobicContact CD2-CE1 3.48Å; F1077-F1126 VanDerWaalsContact CD2-CE1 3.48Å; F1077-F1126 HydrophobicContact CD2-CZ 4.19Å; F1077-F1126 HydrophobicContact CE2-CE1 4.34Å; F1077-F1126 HydrophobicContact CG-CE1 4.03Å; F1077-F1126 HydrophobicContact CG-CZ 4.33Å; F1077-L1233 HydrophobicContact CB-CD1 3.51Å; F1077-L1233 HydrophobicContact CD1-CD1 3.49Å; F1077-L1233 VanDerWaalsContact CD1-CD1 3.49Å; F1077-L1233 HydrophobicContact CE1-CD1 4.34Å; F1077-L1233 HydrophobicContact CG-CD1 3.69Å; F1077-P1234 HydrophobicContact CE1-CG 4.34Å; F1077-P1234 HydrophobicContact CE2-CG 4.08Å; F1077-P1234 HydrophobicContact CZ-CG 3.68Å; F1077-I1274 HydrophobicContact CE2-CG2 3.54Å; F1077-I1274 HydrophobicContact CZ-CG2 3.61Å; F1077-M1277 HydrophobicContact CE1-CB 4.16Å; F1077-M1277 HydrophobicContact CZ-CB 4.31Å; F1077-C1278 HydrophobicContact CD1-CB 3.79Å; F1077-C1278 HydrophobicContact CE1-CB 3.59Å; F1077-C1278 HydrophobicContact CZ-CB 4.18Å |
| 1078 | R | 89.9 | Confident | 91.6 | Very high | 109 Ų | 109 | 25.2 Ų | 25.2 | 41% | 0.411 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -17.6 | 175.1 | -174.1 | 175.4 | 178.9 | -175.9 | 6.8 | 113.6 | Y1074 I1076 C1278 D1281 | Y1074-R1078 WeakPolarHBondContact O-CB 3.37Å; Y1074-R1078 PolarHBondContact O-N 3.48Å; I1076-R1078 VanDerWaalsContact C-N 3.29Å; I1076-R1078 PolarHBondContact O-N 3.17Å; R1078-C1278 HydrophobicContact CB-CB 4.34Å; R1078-D1281 IonicContact CZ-OD1 2.9Å; R1078-D1281 VanDerWaalsContact CZ-OD1 3.22Å; R1078-D1281 IonicContact NH1-OD1 3.75Å; R1078-D1281 PolarHBondContact NH1-OD1 3.05Å; R1078-D1281 IonicContact NH2-OD1 3.85Å; R1078-D1281 PolarHBondContact NH2-OD1 2.73Å |
| 1079 | S | 89.3 | Confident | 91.6 | Very high | 39 Ų | 39 | 24.9 Ų | 24.9 | 27% | 0.273 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -22.6 | 172.3 | 72.3 | 0 | 0 | 0 | 0 | 112.9 | E1075 I1076 F1077 Q1081 N1122 | E1075-S1079 PolarHBondContact O-N 3.05Å; I1076-S1079 WeakPolarHBondContact O-CA 3.46Å; I1076-S1079 WeakPolarHBondContact O-CB 3.42Å; I1076-S1079 PolarHBondContact O-N 3.32Å; I1076-S1079 PolarHBondContact O-OG 2.82Å; F1077-S1079 VanDerWaalsContact C-N 3.27Å; F1077-S1079 PolarHBondContact O-N 3.47Å; S1079-Q1081 PolarHBondContact O-N 2.71Å; S1079-N1122 PolarHBondContact O-ND2 2.88Å |
| 1080 | V | 91.5 | Very high | 91.5 | Very high | 9 Ų | 9 | 26.3 Ų | 26.3 | 6% | 0.055 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -67.1 | 124.1 | 174.9 | -171 | 0 | 0 | 0 | 0 | 110.9 | I1076 F1077 E1084 Y1085 N1122 L1123 F1126 | I1076-V1080 PolarHBondContact O-N 2.88Å; F1077-V1080 WeakPolarHBondContact O-CB 3.08Å; F1077-V1080 PolarHBondContact O-N 3.21Å; V1080-E1084 WeakPolarHBondContact CA-OE1 3.43Å; V1080-E1084 HydrophobicContact CG1-CB 4.2Å; V1080-Y1085 HydrophobicContact CG1-CD2 4.33Å; V1080-Y1085 HydrophobicContact CG1-CE1 4.34Å; V1080-Y1085 HydrophobicContact CG1-CE2 3.62Å; V1080-N1122 HydrophobicContact CG2-CB 4.1Å; V1080-L1123 HydrophobicContact CG1-CB 3.93Å; V1080-L1123 HydrophobicContact CG1-CD1 4.18Å; V1080-L1123 HydrophobicContact CG1-CD2 4.39Å; V1080-L1123 HydrophobicContact CG1-CG 4.4Å; V1080-F1126 HydrophobicContact CG2-CB 4.29Å; V1080-F1126 HydrophobicContact CG2-CD1 4.42Å |
| 1081 | Q | 88.4 | Confident | 91.1 | Very high | 47 Ų | 47 | 28.3 Ų | 28.3 | 22% | 0.22 | 15% | 0.149 | C | C | . | . | trans | -89.2 | 151.6 | -178.8 | -50.3 | 174.1 | -13.6 | 0 | 0 | 110.9 | N567 S1079 T1083 E1084 Y1085 | N567-Q1081 VanDerWaalsContact ND2-CD 3.26Å; N567-Q1081 PolarHBondContact ND2-NE2 2.63Å; N567-Q1081 PolarHBondContact ND2-OE1 3.49Å; N567-Q1081 PolarHBondContact OD1-NE2 3.01Å; N567-Q1081 PolarHBondContact OD1-OE1 3.14Å; S1079-Q1081 PolarHBondContact O-N 2.71Å; Q1081-T1083 PolarHBondContact O-N 3.28Å; Q1081-T1083 VanDerWaalsContact O-N 3.09Å; Q1081-E1084 HydrophobicContact CB-CG 4.08Å; Q1081-E1084 WeakPolarHBondContact CG-OE1 3.17Å; Q1081-E1084 PolarHBondContact N-OE1 3.45Å; Q1081-E1084 PolarHBondContact O-N 2.71Å; Q1081-Y1085 WeakPolarHBondContact O-CD2 3.26Å | ||
| 1082 | S | 91.4 | Very high | 90.6 | Very high | 23 Ų | 23 | 27 Ų | 27 | 16% | 0.161 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -56.2 | -28.3 | 176.6 | 48 | 0 | 0 | 0 | 0 | 113.4 | L524 H565 | L524-S1082 WeakPolarHBondContact CD1-O 3.47Å; H565-S1082 PolarHBondContact CE1-OG 3.12Å; H565-S1082 PolarHBondContact ND1-OG 3.36Å |
| 1083 | T | 91.5 | Very high | 89.5 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.7 | -36.9 | 177.4 | 49.2 | 0 | 0 | 0 | 0 | 113.2 | L524 H565 Q1081 Y1085 I1086 D1087 | L524-T1083 HydrophobicContact CD1-CG2 4.49Å; H565-T1083 HydrophobicContact CB-CG2 4.1Å; H565-T1083 WeakPolarHBondContact ND1-CG2 3.23Å; Q1081-T1083 PolarHBondContact O-N 3.28Å; Q1081-T1083 VanDerWaalsContact O-N 3.09Å; T1083-Y1085 VanDerWaalsContact C-N 3.3Å; T1083-Y1085 PolarHBondContact O-N 3.29Å; T1083-I1086 PolarHBondContact O-N 3.05Å; T1083-I1086 VanDerWaalsContact O-N 3.08Å; T1083-D1087 PolarHBondContact O-N 3.05Å |
| 1084 | E | 92.7 | Very high | 87.7 | Confident | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.019 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.2 | -38.9 | -175.8 | -63 | -176.8 | -118.9 | 0 | 0 | 111.7 | V1080 Q1081 I1086 D1087 E1088 G1119 H1120 E1121 N1122 L1123 | V1080-E1084 WeakPolarHBondContact CA-OE1 3.43Å; V1080-E1084 HydrophobicContact CG1-CB 4.2Å; Q1081-E1084 HydrophobicContact CB-CG 4.08Å; Q1081-E1084 WeakPolarHBondContact CG-OE1 3.17Å; Q1081-E1084 PolarHBondContact N-OE1 3.45Å; Q1081-E1084 PolarHBondContact O-N 2.71Å; E1084-I1086 PolarHBondContact O-N 2.98Å; E1084-D1087 PolarHBondContact O-N 3.07Å; E1084-E1088 PolarHBondContact O-N 3.22Å; E1084-G1119 WeakPolarHBondContact CG-O 2.99Å; E1084-H1120 HydrophobicContact CB-CB 4.01Å; E1084-H1120 WeakPolarHBondContact OE2-CA 3.46Å; E1084-E1121 PolarHBondContact OE2-N 2.88Å; E1084-N1122 PolarHBondContact OE1-ND2 3.02Å; E1084-N1122 WeakPolarHBondContact OE2-CA 3.3Å; E1084-N1122 WeakPolarHBondContact OE2-CB 3.41Å; E1084-N1122 PolarHBondContact OE2-N 3.26Å; E1084-L1123 HydrophobicContact CB-CB 4.12Å; E1084-L1123 HydrophobicContact CB-CD2 4.11Å; E1084-L1123 PolarHBondContact OE2-N 2.84Å |
| 1085 | Y | 94.4 | Very high | 85.5 | Confident | 3 Ų | 3 | 33.9 Ų | 33.9 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.9 | -46.5 | 174.4 | -62.9 | -75.8 | 0 | 0 | 0 | 112 | V1080 Q1081 T1083 D1087 E1088 I1089 L1123 L1236 L1240 L1243 V1271 I1274 | V1080-Y1085 HydrophobicContact CG1-CD2 4.33Å; V1080-Y1085 HydrophobicContact CG1-CE1 4.34Å; V1080-Y1085 HydrophobicContact CG1-CE2 3.62Å; Q1081-Y1085 WeakPolarHBondContact O-CD2 3.26Å; T1083-Y1085 VanDerWaalsContact C-N 3.3Å; T1083-Y1085 PolarHBondContact O-N 3.29Å; Y1085-D1087 VanDerWaalsContact C-N 3.32Å; Y1085-D1087 PolarHBondContact O-N 2.92Å; Y1085-E1088 PolarHBondContact O-N 3.32Å; Y1085-I1089 WeakPolarHBondContact O-CB 3.22Å; Y1085-I1089 WeakPolarHBondContact O-CD1 3.33Å; Y1085-I1089 WeakPolarHBondContact O-CG1 3.33Å; Y1085-I1089 PolarHBondContact O-N 3.08Å; Y1085-L1123 HydrophobicContact CD1-CD1 4.27Å; Y1085-L1123 HydrophobicContact CD1-CD2 3.59Å; Y1085-L1123 HydrophobicContact CE1-CD1 3.81Å; Y1085-L1123 HydrophobicContact CE1-CD2 3.95Å; Y1085-L1123 HydrophobicContact CG-CD2 4.05Å; Y1085-L1236 HydrophobicContact CE1-CD1 4.28Å; Y1085-L1240 HydrophobicContact CD1-CD2 3.97Å; Y1085-L1240 HydrophobicContact CE1-CD2 4.25Å; Y1085-L1243 HydrophobicContact CD1-CD1 4.03Å; Y1085-L1243 HydrophobicContact CG-CD1 4.48Å; Y1085-V1271 HydrophobicContact CD2-CG1 4.34Å; Y1085-I1274 HydrophobicContact CD1-CD1 4.38Å; Y1085-I1274 HydrophobicContact CE1-CD1 4.16Å; Y1085-I1274 HydrophobicContact CE2-CD1 4.43Å; Y1085-I1274 HydrophobicContact CE2-CG2 4.42Å |
| 1086 | I | 93.7 | Very high | 83.1 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.1 | -38.4 | 179.8 | -54.4 | -59.9 | 0 | 0 | 0 | 110.6 | L524 T525 R527 T528 T1083 E1084 F1090 L1267 V1271 | L524-I1086 HydrophobicContact CD1-CG1 3.8Å; L524-I1086 HydrophobicContact CD2-CG1 4.45Å; L524-I1086 HydrophobicContact CG-CD1 4.45Å; L524-I1086 HydrophobicContact CG-CG1 3.96Å; T525-I1086 HydrophobicContact CG2-CD1 4.48Å; R527-I1086 HydrophobicContact CG-CG2 3.89Å; T528-I1086 HydrophobicContact CG2-CG2 3.49Å; T528-I1086 VanDerWaalsContact CG2-CG2 3.49Å; T1083-I1086 PolarHBondContact O-N 3.05Å; T1083-I1086 VanDerWaalsContact O-N 3.08Å; E1084-I1086 PolarHBondContact O-N 2.98Å; I1086-F1090 HydrophobicContact CG2-CD2 4.13Å; I1086-F1090 HydrophobicContact CG2-CE2 4.39Å; I1086-F1090 WeakPolarHBondContact O-CD2 2.95Å; I1086-F1090 PolarHBondContact O-N 2.86Å; I1086-L1267 HydrophobicContact CD1-CB 4.3Å; I1086-V1271 HydrophobicContact CD1-CG2 4.08Å |
| 1087 | D | 91.5 | Very high | 80.5 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.7 | -39.6 | 178.7 | -70.1 | 9.2 | 0 | 0 | 0 | 112 | R527 T1083 E1084 Y1085 G1091 L1092 T1118 G1119 | R527-D1087 WeakPolarHBondContact CD-OD1 3.3Å; R527-D1087 IonicContact CZ-OD1 3.56Å; R527-D1087 IonicContact NE-OD1 3.97Å; R527-D1087 IonicContact NH1-OD1 3.32Å; R527-D1087 PolarHBondContact NH1-OD1 3.15Å; R527-D1087 IonicContact NH1-OD2 2.82Å; R527-D1087 PolarHBondContact NH1-OD2 3.23Å; T1083-D1087 PolarHBondContact O-N 3.05Å; E1084-D1087 PolarHBondContact O-N 3.07Å; Y1085-D1087 VanDerWaalsContact C-N 3.32Å; Y1085-D1087 PolarHBondContact O-N 2.92Å; D1087-G1091 PolarHBondContact O-N 3.32Å; D1087-L1092 HydrophobicContact CB-CB 4.34Å; D1087-L1092 PolarHBondContact O-N 2.84Å; D1087-T1118 VanDerWaalsContact OD2-CA 3.31Å; D1087-T1118 WeakPolarHBondContact OD2-CA 3.3Å; D1087-T1118 WeakPolarHBondContact OD2-CB 3.41Å; D1087-T1118 PolarHBondContact OD2-N 2.9Å; D1087-T1118 PolarHBondContact OD2-OG1 2.89Å; D1087-G1119 PolarHBondContact OD2-N 2.89Å |
| 1088 | E | 90.3 | Very high | 77.6 | Confident | 41 Ų | 41 | 47.4 Ų | 47.4 | 19% | 0.192 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.7 | -56.4 | 172.5 | -175.5 | -171.9 | -165.4 | 0 | 0 | 111.2 | E1084 Y1085 F1090 G1091 H1120 L1123 L1240 | E1084-E1088 PolarHBondContact O-N 3.22Å; Y1085-E1088 PolarHBondContact O-N 3.32Å; E1088-F1090 VanDerWaalsContact C-N 3.27Å; E1088-F1090 PolarHBondContact O-N 3.36Å; E1088-G1091 PolarHBondContact O-N 2.73Å; E1088-H1120 HydrophobicContact CB-CB 4.48Å; E1088-L1123 HydrophobicContact CB-CD2 4.23Å; E1088-L1123 WeakPolarHBondContact OE2-CD2 3.5Å; E1088-L1240 VanDerWaalsContact OE2-CD2 3.25Å; E1088-L1240 WeakPolarHBondContact OE2-CD2 3.21Å |
| 1089 | I | 90.6 | Very high | 74.6 | Confident | 26 Ų | 26 | 48 Ų | 48 | 13% | 0.133 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.5 | -38.1 | -173.8 | -66.6 | 157.1 | 0 | 0 | 0 | 112.6 | Y1085 L1243 H1247 L1267 | Y1085-I1089 WeakPolarHBondContact O-CB 3.22Å; Y1085-I1089 WeakPolarHBondContact O-CD1 3.33Å; Y1085-I1089 WeakPolarHBondContact O-CG1 3.33Å; Y1085-I1089 PolarHBondContact O-N 3.08Å; I1089-L1243 HydrophobicContact CD1-CB 3.65Å; I1089-L1243 HydrophobicContact CD1-CD1 4.12Å; I1089-L1243 HydrophobicContact CD1-CD2 4.01Å; I1089-L1243 HydrophobicContact CD1-CG 4.13Å; I1089-L1243 HydrophobicContact CG1-CB 4.15Å; I1089-H1247 HydrophobicContact CG2-CB 3.46Å; I1089-H1247 VanDerWaalsContact CG2-CB 3.46Å; I1089-H1247 WeakPolarHBondContact CG2-ND1 3.49Å; I1089-L1267 HydrophobicContact CD1-CD2 4.34Å |
| 1090 | F | 89 | Confident | 71.9 | Confident | 35 Ų | 35 | 53.8 Ų | 53.8 | 15% | 0.154 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 5.5 | -179.3 | -76.2 | -106.3 | 0 | 0 | 0 | 113.2 | T528 I1086 E1088 L1092 H1247 L1264 L1267 | T528-F1090 HydrophobicContact CG2-CD1 3.77Å; T528-F1090 HydrophobicContact CG2-CD2 3.7Å; T528-F1090 HydrophobicContact CG2-CE1 3.71Å; T528-F1090 HydrophobicContact CG2-CE2 3.63Å; T528-F1090 HydrophobicContact CG2-CG 3.78Å; T528-F1090 HydrophobicContact CG2-CZ 3.63Å; I1086-F1090 HydrophobicContact CG2-CD2 4.13Å; I1086-F1090 HydrophobicContact CG2-CE2 4.39Å; I1086-F1090 WeakPolarHBondContact O-CD2 2.95Å; I1086-F1090 PolarHBondContact O-N 2.86Å; E1088-F1090 VanDerWaalsContact C-N 3.27Å; E1088-F1090 PolarHBondContact O-N 3.36Å; F1090-L1092 VanDerWaalsContact C-N 3.25Å; F1090-L1092 HydrophobicContact CB-CD1 4.02Å; F1090-L1092 HydrophobicContact CB-CD2 4.22Å; F1090-L1092 HydrophobicContact CB-CG 3.71Å; F1090-L1092 PolarHBondContact O-N 3.43Å; F1090-H1247 AromaticContact CD1-CE1 3.49Å; F1090-H1247 VanDerWaalsContact CD1-CE1 3.49Å; F1090-H1247 WeakPolarHBondContact CD1-CE1 3.32Å; F1090-H1247 AromaticContact CD1-ND1 3.98Å; F1090-H1247 AromaticContact CD2-CE1 3.98Å; F1090-H1247 AromaticContact CD2-ND1 3.69Å; F1090-H1247 AromaticContact CE1-CE1 3.47Å; F1090-H1247 VanDerWaalsContact CE1-CE1 3.47Å; F1090-H1247 WeakPolarHBondContact CE1-CE1 3.47Å; F1090-H1247 AromaticContact CE1-ND1 3.73Å; F1090-H1247 AromaticContact CE2-CE1 3.95Å; F1090-H1247 AromaticContact CE2-ND1 3.42Å; F1090-H1247 WeakPolarHBondContact CE2-ND1 3.44Å; F1090-H1247 AromaticContact CG-CE1 3.75Å; F1090-H1247 AromaticContact CG-ND1 3.95Å; F1090-H1247 AromaticContact CZ-CE1 3.71Å; F1090-H1247 AromaticContact CZ-ND1 3.45Å; F1090-H1247 WeakPolarHBondContact CZ-ND1 3.22Å; F1090-L1264 HydrophobicContact CZ-CD2 4.28Å; F1090-L1267 HydrophobicContact CE2-CD1 3.61Å; F1090-L1267 HydrophobicContact CZ-CD1 4.02Å |
| 1091 | G | 85.5 | Confident | 68.9 | Low | 42 Ų | 42 | 58.6 Ų | 58.6 | 43% | 0.433 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 27.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D1087 E1088 S1093 N1113 | D1087-G1091 PolarHBondContact O-N 3.32Å; E1088-G1091 PolarHBondContact O-N 2.73Å; G1091-S1093 PolarHBondContact O-N 3.34Å; G1091-N1113 PolarHBondContact O-ND2 3.38Å |
| 1092 | L | 81.7 | Confident | 65.9 | Low | 11 Ų | 11 | 60.6 Ų | 60.6 | 6% | 0.058 | 35% | 0.352 | C | S | . | . | trans | -81.3 | 79.7 | -176.1 | -55.5 | -179.8 | 0 | 0 | 0 | 110.1 | R527 D1087 F1090 A1117 | R527-L1092 HydrophobicContact CB-CD1 4.44Å; R527-L1092 HydrophobicContact CG-CD1 4.17Å; D1087-L1092 HydrophobicContact CB-CB 4.34Å; D1087-L1092 PolarHBondContact O-N 2.84Å; F1090-L1092 VanDerWaalsContact C-N 3.25Å; F1090-L1092 HydrophobicContact CB-CD1 4.02Å; F1090-L1092 HydrophobicContact CB-CD2 4.22Å; F1090-L1092 HydrophobicContact CB-CG 3.71Å; F1090-L1092 PolarHBondContact O-N 3.43Å; L1092-A1117 HydrophobicContact CB-CB 3.91Å; L1092-A1117 WeakPolarHBondContact O-CB 3.49Å | ||
| 1093 | S | 66.5 | Low | 62.6 | Low | 74 Ų | 74 | 64.8 Ų | 64.8 | 52% | 0.517 | 38% | 0.382 | S | S | . | . | trans | -75 | 136.6 | 172.5 | 69 | 0 | 0 | 0 | 0 | 111.7 | G1091 A1095 | G1091-S1093 PolarHBondContact O-N 3.34Å; S1093-A1095 PolarHBondContact O-N 3.45Å; S1093-A1095 VanDerWaalsContact O-N 3.11Å | ||
| 1094 | N | 55.9 | Low | 59.7 | Low | 57 Ų | 57 | 71.2 Ų | 71.2 | 31% | 0.305 | 42% | 0.421 | S | S | . | . | trans | -66.1 | 109.7 | -177.6 | -166.1 | -28.8 | 0 | 0 | 0 | 112.4 | Y1096 V1097 A1117 T1118 | N1094-Y1096 PolarHBondContact O-N 3.18Å; N1094-Y1096 PolarHBondContact OD1-N 3.29Å; N1094-V1097 HydrophobicContact CB-CG2 4.49Å; N1094-V1097 PolarHBondContact O-N 3.18Å; N1094-A1117 HydrophobicContact CB-CB 4.38Å; N1094-T1118 PolarHBondContact ND2-O 2.76Å | ||
| 1095 | A | 45.6 | Very low | 56.8 | Low | 68 Ų | 68 | 79 Ų | 79 | 56% | 0.562 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -15 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S1093 | S1093-A1095 PolarHBondContact O-N 3.45Å; S1093-A1095 VanDerWaalsContact O-N 3.11Å |
| 1096 | Y | 39.8 | Very low | 53.6 | Low | 191 Ų | 191 | 82 Ų | 82 | 75% | 0.749 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -22.8 | 178.6 | -93.2 | -90 | 0 | 0 | 0 | 114.6 | N1094 N1098 N1099 | N1094-Y1096 PolarHBondContact O-N 3.18Å; N1094-Y1096 PolarHBondContact OD1-N 3.29Å; Y1096-N1098 VanDerWaalsContact C-N 3.29Å; Y1096-N1098 PolarHBondContact O-N 2.7Å; Y1096-N1099 PolarHBondContact O-N 3.09Å |
| 1097 | V | 38.1 | Very low | 50.4 | Low | 110 Ų | 110 | 89 Ų | 89 | 67% | 0.667 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -68.2 | -27.8 | -174.4 | -179 | 0 | 0 | 0 | 0 | 112.6 | N1094 | N1094-V1097 HydrophobicContact CB-CG2 4.49Å; N1094-V1097 PolarHBondContact O-N 3.18Å |
| 1098 | N | 31.5 | Very low | 47.3 | Very low | 106 Ų | 106 | 96.9 Ų | 96.9 | 57% | 0.567 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -87 | -20.5 | -176.1 | -68.3 | -29.3 | 0 | 0 | 0 | 114.2 | Y1096 I1100 S1101 | Y1096-N1098 VanDerWaalsContact C-N 3.29Å; Y1096-N1098 PolarHBondContact O-N 2.7Å; N1098-I1100 PolarHBondContact O-N 3.44Å; N1098-I1100 VanDerWaalsContact O-N 3.09Å; N1098-S1101 PolarHBondContact O-N 3.03Å; N1098-S1101 VanDerWaalsContact O-N 3.11Å |
| 1099 | N | 27.1 | Very low | 44.2 | Very low | 121 Ų | 121 | 98.3 Ų | 98.3 | 65% | 0.647 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 11.1 | -170.5 | -79 | -31.4 | 0 | 0 | 0 | 115.6 | Y1096 | Y1096-N1099 PolarHBondContact O-N 3.09Š|
| 1100 | I | 33.4 | Very low | 41.2 | Very low | 161 Ų | 161 | 103 Ų | 103 | 83% | 0.826 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | -4.3 | 168.4 | -63.3 | 178.1 | 0 | 0 | 0 | 111.4 | N1098 | N1098-I1100 PolarHBondContact O-N 3.44Å; N1098-I1100 VanDerWaalsContact O-N 3.09Å |
| 1101 | S | 27.7 | Very low | 38.5 | Very low | 110 Ų | 110 | 106 Ų | 106 | 77% | 0.769 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.4 | 3.5 | -173.6 | -65.1 | 0 | 0 | 0 | 0 | 117 | N1098 | N1098-S1101 PolarHBondContact O-N 3.03Å; N1098-S1101 VanDerWaalsContact O-N 3.11Å |
| 1102 | S | 26.1 | Very low | 36.2 | Very low | 88 Ų | 88 | 108.1 Ų | 108.1 | 62% | 0.615 | 66% | 0.657 | S | S | * | * | trans | -155.5 | 107.9 | 168.9 | 49 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1103 | S | 23.1 | Very low | 34.5 | Very low | 112 Ų | 112 | 111.8 Ų | 111.8 | 78% | 0.783 | 68% | 0.676 | S | S | * | * | trans | -113.5 | 138.7 | 151.7 | 60.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1104 | V | 30.6 | Very low | 33.7 | Very low | 136 Ų | 136 | 111.5 Ų | 111.5 | 82% | 0.824 | 67% | 0.672 | S | S | * | * | S | Bend | trans | 66 | 111.4 | -166.8 | -162.1 | 0 | 0 | 0 | 0 | 110.5 | ||
| 1105 | I | 31.1 | Very low | 33.7 | Very low | 168 Ų | 168 | 109.6 Ų | 109.6 | 86% | 0.862 | 67% | 0.665 | S | S | * | * | cis | -136.6 | 157.8 | 44 | -64.4 | 164.4 | 0 | 0 | 0 | 110.1 | ||||
| 1106 | G | 25.9 | Very low | 34.7 | Very low | 65 Ų | 65 | 108.2 Ų | 108.2 | 67% | 0.67 | 65% | 0.646 | S | S | * | * | trans | -111.7 | 173.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1107 | N | 27 | Very low | 36.4 | Very low | 147 Ų | 147 | 99.7 Ų | 99.7 | 79% | 0.786 | 62% | 0.615 | S | S | * | * | trans | 61 | 101.3 | 166.1 | -71.4 | 6.2 | 0 | 0 | 0 | 119.8 | ||||
| 1108 | N | 26.1 | Very low | 38.1 | Very low | 165 Ų | 165 | 95.8 Ų | 95.8 | 88% | 0.882 | 59% | 0.592 | S | S | * | * | 175.7 | 148.5 | 95 | -89.2 | -30.7 | 0 | 0 | 0 | 113.2 | |||||
| 1109 | G | 25 | Very low | 40.5 | Very low | 72 Ų | 72 | 91.5 Ų | 91.5 | 74% | 0.742 | 57% | 0.572 | S | S | * | * | trans | 107.6 | 101.5 | 151.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1110 | N | 27.7 | Very low | 43.5 | Very low | 123 Ų | 123 | 87.7 Ų | 87.7 | 66% | 0.658 | 55% | 0.55 | S | S | * | * | trans | 28.4 | 89.1 | 149 | -72.4 | -43.2 | 0 | 0 | 0 | 119.8 | K1988 | N1110-K1988 WeakPolarHBondContact OD1-CE 3.33Å; N1110-K1988 PolarHBondContact OD1-NZ 3.35Å | ||
| 1111 | S | 33.2 | Very low | 46.1 | Very low | 99 Ų | 99 | 87.4 Ų | 87.4 | 69% | 0.692 | 55% | 0.546 | S | S | * | . | -144.3 | 133.8 | 126.8 | -178.6 | 0 | 0 | 0 | 0 | 109.6 | N1113 | S1111-N1113 PolarHBondContact OG-OD1 3.42Š| |||
| 1112 | S | 36.3 | Very low | 49.1 | Very low | 87 Ų | 87 | 84 Ų | 84 | 61% | 0.608 | 52% | 0.519 | S | S | * | . | trans | -105.4 | 64.8 | 174.8 | 55.1 | 0 | 0 | 0 | 0 | 109.7 | T1114 | S1112-T1114 PolarHBondContact O-N 2.98Š| ||
| 1113 | N | 45.8 | Very low | 52.3 | Low | 88 Ų | 88 | 79.8 Ų | 79.8 | 47% | 0.471 | 49% | 0.489 | S | S | . | . | trans | -71.3 | 73.9 | 167.5 | -88.1 | 26.6 | 0 | 0 | 0 | 109.5 | G1091 S1111 G1115 | G1091-N1113 PolarHBondContact O-ND2 3.38Å; S1111-N1113 PolarHBondContact OG-OD1 3.42Å; N1113-G1115 PolarHBondContact O-N 3.11Å; N1113-G1115 VanDerWaalsContact O-N 3.14Å | ||
| 1114 | T | 50.2 | Low | 55.5 | Low | 68 Ų | 68 | 78.2 Ų | 78.2 | 42% | 0.417 | 47% | 0.472 | S | S | . | . | trans | -86.4 | 48.2 | -179.2 | 52.8 | 0 | 0 | 0 | 0 | 111.2 | L530 D531 S1112 | L530-T1114 CarbonylContact C-O 3.52Å; D531-T1114 PolarHBondContact N-O 3.08Å; D531-T1114 VanDerWaalsContact OD2-CB 3.22Å; D531-T1114 WeakPolarHBondContact OD2-CB 3.41Å; D531-T1114 WeakPolarHBondContact OD2-CG2 3.22Å; S1112-T1114 PolarHBondContact O-N 2.98Å | ||
| 1115 | G | 55.4 | Low | 58.5 | Low | 17 Ų | 17 | 78.5 Ų | 78.5 | 18% | 0.175 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -135.9 | 135.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R527 N1113 A1117 | R527-G1115 WeakPolarHBondContact O-CA 3.29Å; N1113-G1115 PolarHBondContact O-N 3.11Å; N1113-G1115 VanDerWaalsContact O-N 3.14Å; G1115-A1117 PolarHBondContact O-N 2.9Å; G1115-A1117 VanDerWaalsContact O-N 3.07Å |
| 1116 | Y | 68.1 | Low | 61.5 | Low | 38 Ų | 38 | 70.5 Ų | 70.5 | 15% | 0.149 | 42% | 0.417 | C | S | . | . | trans | -76.5 | 94.1 | -179.3 | -174.7 | -100.5 | 0 | 0 | 0 | 111.6 | R527 L530 P533 D568 N572 | R527-Y1116 WeakPolarHBondContact CB-O 3.33Å; R527-Y1116 PolarHBondContact O-N 3Å; L530-Y1116 PolarHBondContact O-N 3.35Å; P533-Y1116 HydrophobicContact CG-CD1 4.13Å; P533-Y1116 HydrophobicContact CG-CD2 4.39Å; P533-Y1116 HydrophobicContact CG-CE1 4.03Å; P533-Y1116 HydrophobicContact CG-CE2 4.31Å; P533-Y1116 HydrophobicContact CG-CG 4.3Å; D568-Y1116 HydrophobicContact CB-CE1 4.43Å; D568-Y1116 PolarHBondContact O-OH 3.33Å; N572-Y1116 VanDerWaalsContact CB-OH 3.23Å; N572-Y1116 WeakPolarHBondContact CB-OH 3.46Å; N572-Y1116 WeakPolarHBondContact ND2-CE2 2.99Å; N572-Y1116 PolarHBondContact ND2-OH 2.93Å | ||
| 1117 | A | 74 | Confident | 64.7 | Low | 13 Ų | 13 | 68 Ų | 68 | 11% | 0.107 | 39% | 0.389 | C | S | . | . | trans | -78.8 | 131.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1092 N1094 G1115 | L1092-A1117 HydrophobicContact CB-CB 3.91Å; L1092-A1117 WeakPolarHBondContact O-CB 3.49Å; N1094-A1117 HydrophobicContact CB-CB 4.38Å; G1115-A1117 PolarHBondContact O-N 2.9Å; G1115-A1117 VanDerWaalsContact O-N 3.07Å | ||
| 1118 | T | 75.7 | Confident | 67.7 | Low | 28 Ų | 28 | 66.3 Ų | 66.3 | 17% | 0.172 | 38% | 0.38 | C | S | . | . | trans | -92 | -35.6 | 165 | 45.3 | 0 | 0 | 0 | 0 | 112.3 | R527 N567 D1087 N1094 | R527-T1118 PolarHBondContact NH1-OG1 3.08Å; N567-T1118 HydrophobicContact CB-CG2 4.24Å; D1087-T1118 VanDerWaalsContact OD2-CA 3.31Å; D1087-T1118 WeakPolarHBondContact OD2-CA 3.3Å; D1087-T1118 WeakPolarHBondContact OD2-CB 3.41Å; D1087-T1118 PolarHBondContact OD2-N 2.9Å; D1087-T1118 PolarHBondContact OD2-OG1 2.89Å; N1094-T1118 PolarHBondContact ND2-O 2.76Å | ||
| 1119 | G | 81 | Confident | 70.9 | Confident | 15 Ų | 15 | 58.7 Ų | 58.7 | 16% | 0.155 | 34% | 0.339 | C | S | . | . | trans | 114.8 | 177.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1084 D1087 | E1084-G1119 WeakPolarHBondContact CG-O 2.99Å; D1087-G1119 PolarHBondContact OD2-N 2.89Å | ||
| 1120 | H | 89.6 | Confident | 74.1 | Confident | 42 Ų | 42 | 55.4 Ų | 55.4 | 19% | 0.194 | 31% | 0.305 | C | S | . | . | trans | -142.6 | 33.4 | -175.5 | 42.2 | -105.8 | 0 | 0 | 0 | 113.9 | E1084 E1088 N1122 L1123 D1124 | E1084-H1120 HydrophobicContact CB-CB 4.01Å; E1084-H1120 WeakPolarHBondContact OE2-CA 3.46Å; E1088-H1120 HydrophobicContact CB-CB 4.48Å; H1120-N1122 PolarHBondContact O-N 2.64Å; H1120-L1123 HydrophobicContact CB-CB 4.23Å; H1120-L1123 PolarHBondContact O-N 3.12Å; H1120-D1124 IonicContact CD2-OD1 3.78Å; H1120-D1124 IonicContact CD2-OD2 2.81Å; H1120-D1124 PolarHBondContact O-N 3.2Å | ||
| 1121 | E | 88.1 | Confident | 77 | Confident | 155 Ų | 155 | 50.1 Ų | 50.1 | 72% | 0.724 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62.3 | -31 | -173.1 | -60.6 | -172.3 | 159.8 | 0 | 0 | 115.1 | E1084 R1125 | E1084-E1121 PolarHBondContact OE2-N 2.88Å; E1121-R1125 WeakPolarHBondContact O-CB 3.45Å; E1121-R1125 PolarHBondContact O-N 2.86Å |
| 1122 | N | 91 | Very high | 79.9 | Confident | 38 Ų | 38 | 50.2 Ų | 50.2 | 20% | 0.203 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -81 | -32.8 | 177.5 | -52.6 | -68.2 | 0 | 0 | 0 | 110.6 | S1079 V1080 E1084 H1120 R1125 F1126 | S1079-N1122 PolarHBondContact O-ND2 2.88Å; V1080-N1122 HydrophobicContact CG2-CB 4.1Å; E1084-N1122 PolarHBondContact OE1-ND2 3.02Å; E1084-N1122 WeakPolarHBondContact OE2-CA 3.3Å; E1084-N1122 WeakPolarHBondContact OE2-CB 3.41Å; E1084-N1122 PolarHBondContact OE2-N 3.26Å; H1120-N1122 PolarHBondContact O-N 2.64Å; N1122-R1125 PolarHBondContact O-N 2.94Å; N1122-F1126 PolarHBondContact O-N 3.04Å |
| 1123 | L | 92.7 | Very high | 82.6 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.9 | -45.4 | 175.1 | -172 | 43 | 0 | 0 | 0 | 111.3 | V1080 E1084 Y1085 E1088 H1120 R1125 F1126 T1127 L1236 L1240 | V1080-L1123 HydrophobicContact CG1-CB 3.93Å; V1080-L1123 HydrophobicContact CG1-CD1 4.18Å; V1080-L1123 HydrophobicContact CG1-CD2 4.39Å; V1080-L1123 HydrophobicContact CG1-CG 4.4Å; E1084-L1123 HydrophobicContact CB-CB 4.12Å; E1084-L1123 HydrophobicContact CB-CD2 4.11Å; E1084-L1123 PolarHBondContact OE2-N 2.84Å; Y1085-L1123 HydrophobicContact CD1-CD1 4.27Å; Y1085-L1123 HydrophobicContact CD1-CD2 3.59Å; Y1085-L1123 HydrophobicContact CE1-CD1 3.81Å; Y1085-L1123 HydrophobicContact CE1-CD2 3.95Å; Y1085-L1123 HydrophobicContact CG-CD2 4.05Å; E1088-L1123 HydrophobicContact CB-CD2 4.23Å; E1088-L1123 WeakPolarHBondContact OE2-CD2 3.5Å; H1120-L1123 HydrophobicContact CB-CB 4.23Å; H1120-L1123 PolarHBondContact O-N 3.12Å; L1123-R1125 VanDerWaalsContact C-N 3.29Å; L1123-R1125 PolarHBondContact O-N 3.35Å; L1123-F1126 PolarHBondContact O-N 2.98Å; L1123-F1126 VanDerWaalsContact O-N 3.13Å; L1123-T1127 WeakPolarHBondContact O-CB 3.26Å; L1123-T1127 PolarHBondContact O-N 3.12Å; L1123-T1127 PolarHBondContact O-OG1 3.27Å; L1123-L1236 HydrophobicContact CD1-CD1 3.91Å; L1123-L1236 HydrophobicContact CD1-CD2 4.19Å; L1123-L1240 HydrophobicContact CD1-CD2 4.43Å |
| 1124 | D | 91.5 | Very high | 84.8 | Confident | 79 Ų | 79 | 42.6 Ų | 42.6 | 42% | 0.422 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -51.3 | -49.2 | 167.3 | -83.3 | -29.5 | 0 | 0 | 0 | 111 | H1120 F1126 T1127 D1128 | H1120-D1124 IonicContact CD2-OD1 3.78Å; H1120-D1124 IonicContact CD2-OD2 2.81Å; H1120-D1124 PolarHBondContact O-N 3.2Å; D1124-F1126 VanDerWaalsContact C-N 3.31Å; D1124-F1126 PolarHBondContact O-N 3.02Å; D1124-T1127 WeakPolarHBondContact O-CB 3.44Å; D1124-T1127 PolarHBondContact O-N 3.35Å; D1124-D1128 PolarHBondContact O-N 3.45Å |
| 1125 | R | 92.3 | Very high | 86.9 | Confident | 141 Ų | 141 | 40 Ų | 40 | 53% | 0.532 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.1 | -30.4 | -179.8 | -179.5 | 177.9 | 171.1 | -151.6 | -7.5 | 113.4 | E1121 N1122 L1123 L1129 | E1121-R1125 WeakPolarHBondContact O-CB 3.45Å; E1121-R1125 PolarHBondContact O-N 2.86Å; N1122-R1125 PolarHBondContact O-N 2.94Å; L1123-R1125 VanDerWaalsContact C-N 3.29Å; L1123-R1125 PolarHBondContact O-N 3.35Å; R1125-L1129 PolarHBondContact O-N 3.49Å |
| 1126 | F | 94.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -77 | -39.3 | 174.3 | -168 | -152.5 | 0 | 0 | 0 | 111.1 | I1076 F1077 V1080 N1122 L1123 D1124 L1129 V1130 L1233 L1236 | I1076-F1126 HydrophobicContact CG2-CB 3.75Å; I1076-F1126 HydrophobicContact CG2-CD2 4.01Å; I1076-F1126 HydrophobicContact CG2-CG 4.1Å; F1077-F1126 HydrophobicContact CB-CD1 4.36Å; F1077-F1126 HydrophobicContact CB-CE1 3.9Å; F1077-F1126 HydrophobicContact CB-CE2 4.43Å; F1077-F1126 HydrophobicContact CB-CZ 3.95Å; F1077-F1126 HydrophobicContact CD2-CD1 4.08Å; F1077-F1126 AromaticContact CD2-CE1 3.48Å; F1077-F1126 HydrophobicContact CD2-CE1 3.48Å; F1077-F1126 VanDerWaalsContact CD2-CE1 3.48Å; F1077-F1126 HydrophobicContact CD2-CZ 4.19Å; F1077-F1126 HydrophobicContact CE2-CE1 4.34Å; F1077-F1126 HydrophobicContact CG-CE1 4.03Å; F1077-F1126 HydrophobicContact CG-CZ 4.33Å; V1080-F1126 HydrophobicContact CG2-CB 4.29Å; V1080-F1126 HydrophobicContact CG2-CD1 4.42Å; N1122-F1126 PolarHBondContact O-N 3.04Å; L1123-F1126 PolarHBondContact O-N 2.98Å; L1123-F1126 VanDerWaalsContact O-N 3.13Å; D1124-F1126 VanDerWaalsContact C-N 3.31Å; D1124-F1126 PolarHBondContact O-N 3.02Å; F1126-L1129 HydrophobicContact CD2-CD2 4.36Å; F1126-L1129 HydrophobicContact CE2-CD2 4.32Å; F1126-L1129 WeakPolarHBondContact O-CB 3.42Å; F1126-L1129 PolarHBondContact O-N 3.35Å; F1126-V1130 HydrophobicContact CD2-CG2 4.47Å; F1126-V1130 HydrophobicContact CE2-CG2 4.38Å; F1126-V1130 WeakPolarHBondContact O-CG2 3.48Å; F1126-V1130 PolarHBondContact O-N 3.09Å; F1126-L1233 HydrophobicContact CZ-CD1 4.41Å; F1126-L1233 HydrophobicContact CZ-CG 4.48Å; F1126-L1236 HydrophobicContact CB-CD2 4.24Å; F1126-L1236 HydrophobicContact CD1-CB 4.29Å; F1126-L1236 HydrophobicContact CD1-CD1 4.06Å; F1126-L1236 HydrophobicContact CD1-CD2 3.65Å; F1126-L1236 HydrophobicContact CD1-CG 4.21Å; F1126-L1236 HydrophobicContact CE1-CB 3.91Å; F1126-L1236 HydrophobicContact CE1-CD1 4.16Å; F1126-L1236 HydrophobicContact CE1-CD2 4.15Å; F1126-L1236 HydrophobicContact CE1-CG 4.29Å; F1126-L1236 HydrophobicContact CG-CD2 4.02Å; F1126-L1236 HydrophobicContact CZ-CB 4.41Å |
| 1127 | T | 92.4 | Very high | 90.1 | Very high | 13 Ų | 13 | 37.4 Ų | 37.4 | 8% | 0.08 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.9 | -47.1 | 170.1 | -78.3 | 0 | 0 | 0 | 0 | 112.1 | L1123 D1124 L1129 V1130 N1131 L1616 | L1123-T1127 WeakPolarHBondContact O-CB 3.26Å; L1123-T1127 PolarHBondContact O-N 3.12Å; L1123-T1127 PolarHBondContact O-OG1 3.27Å; D1124-T1127 WeakPolarHBondContact O-CB 3.44Å; D1124-T1127 PolarHBondContact O-N 3.35Å; T1127-L1129 VanDerWaalsContact C-N 3.28Å; T1127-L1129 PolarHBondContact O-N 3.42Å; T1127-V1130 PolarHBondContact O-N 3.45Å; T1127-N1131 PolarHBondContact O-N 2.86Å; T1127-N1131 PolarHBondContact O-ND2 3Å; T1127-L1616 HydrophobicContact CG2-CD2 3.84Å; T1127-L1616 HydrophobicContact CG2-CG 3.7Å |
| 1128 | D | 90.3 | Very high | 91.1 | Very high | 111 Ų | 111 | 36.8 Ų | 36.8 | 59% | 0.594 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -60.4 | -37.1 | 175.1 | -94 | -6.8 | 0 | 0 | 0 | 112.6 | D1124 R1132 | D1124-D1128 PolarHBondContact O-N 3.45Å; D1128-R1132 VanDerWaalsContact O-CB 3.29Å; D1128-R1132 WeakPolarHBondContact O-CB 3.45Å; D1128-R1132 PolarHBondContact O-N 3.39Å |
| 1129 | L | 93.2 | Very high | 92.1 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.5 | -50.8 | 174.7 | -178.2 | 149.1 | 0 | 0 | 0 | 110.9 | D1073 I1076 R1125 F1126 T1127 N1131 R1132 E1133 | D1073-L1129 WeakPolarHBondContact OD1-CD1 3.31Å; D1073-L1129 WeakPolarHBondContact OD1-CD2 3.21Å; D1073-L1129 WeakPolarHBondContact OD2-CD2 3.42Å; I1076-L1129 HydrophobicContact CD1-CD1 3.59Å; R1125-L1129 PolarHBondContact O-N 3.49Å; F1126-L1129 HydrophobicContact CD2-CD2 4.36Å; F1126-L1129 HydrophobicContact CE2-CD2 4.32Å; F1126-L1129 WeakPolarHBondContact O-CB 3.42Å; F1126-L1129 PolarHBondContact O-N 3.35Å; T1127-L1129 VanDerWaalsContact C-N 3.28Å; T1127-L1129 PolarHBondContact O-N 3.42Å; L1129-N1131 VanDerWaalsContact C-N 3.34Å; L1129-N1131 PolarHBondContact O-N 2.93Å; L1129-R1132 WeakPolarHBondContact O-CB 3.19Å; L1129-R1132 PolarHBondContact O-N 3.33Å; L1129-R1132 VanDerWaalsContact O-N 3.11Å; L1129-E1133 HydrophobicContact CD2-CG 3.9Å; L1129-E1133 HydrophobicContact CG-CG 4.38Å; L1129-E1133 VanDerWaalsContact O-CG 3.26Å; L1129-E1133 WeakPolarHBondContact O-CG 3.35Å; L1129-E1133 PolarHBondContact O-N 3.22Å |
| 1130 | V | 92.7 | Very high | 92.8 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -54.4 | -49.9 | 178 | 169.1 | 0 | 0 | 0 | 0 | 111 | F1126 T1127 R1132 E1133 A1134 N1171 Y1235 L1236 P1237 | F1126-V1130 HydrophobicContact CD2-CG2 4.47Å; F1126-V1130 HydrophobicContact CE2-CG2 4.38Å; F1126-V1130 WeakPolarHBondContact O-CG2 3.48Å; F1126-V1130 PolarHBondContact O-N 3.09Å; T1127-V1130 PolarHBondContact O-N 3.45Å; V1130-R1132 VanDerWaalsContact C-N 3.34Å; V1130-R1132 PolarHBondContact O-N 2.86Å; V1130-E1133 PolarHBondContact O-N 3.45Å; V1130-A1134 PolarHBondContact O-N 3.26Å; V1130-N1171 WeakPolarHBondContact CG2-ND2 3.47Å; V1130-N1171 WeakPolarHBondContact CG2-OD1 3.18Å; V1130-Y1235 HydrophobicContact CG1-CE2 4.47Å; V1130-L1236 HydrophobicContact CG2-CB 4.11Å; V1130-L1236 HydrophobicContact CG2-CD2 4.24Å; V1130-P1237 HydrophobicContact CG1-CG 3.77Å |
| 1131 | N | 89.8 | Confident | 93.1 | Very high | 13 Ų | 13 | 35.3 Ų | 35.3 | 7% | 0.07 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.2 | -43.9 | 177.9 | -63.9 | -35.2 | 0 | 0 | 0 | 111 | T1127 L1129 E1133 A1134 Y1135 G1617 | T1127-N1131 PolarHBondContact O-N 2.86Å; T1127-N1131 PolarHBondContact O-ND2 3Å; L1129-N1131 VanDerWaalsContact C-N 3.34Å; L1129-N1131 PolarHBondContact O-N 2.93Å; N1131-E1133 PolarHBondContact O-N 3.25Å; N1131-A1134 PolarHBondContact O-N 2.91Å; N1131-Y1135 VanDerWaalsContact O-CD2 3.28Å; N1131-Y1135 WeakPolarHBondContact O-CD2 3.39Å; N1131-Y1135 PolarHBondContact O-N 2.72Å; N1131-G1617 VanDerWaalsContact OD1-CA 3.24Å; N1131-G1617 WeakPolarHBondContact OD1-CA 3.44Å; N1131-G1617 PolarHBondContact OD1-N 3.35Å |
| 1132 | R | 92.1 | Very high | 93.4 | Very high | 101 Ų | 101 | 28 Ų | 28 | 38% | 0.381 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -63.9 | -37.3 | 177.6 | -173.7 | -168.1 | 68.6 | -154.2 | -3.6 | 112.6 | D1128 L1129 V1130 W1136 V1469 | D1128-R1132 VanDerWaalsContact O-CB 3.29Å; D1128-R1132 WeakPolarHBondContact O-CB 3.45Å; D1128-R1132 PolarHBondContact O-N 3.39Å; L1129-R1132 WeakPolarHBondContact O-CB 3.19Å; L1129-R1132 PolarHBondContact O-N 3.33Å; L1129-R1132 VanDerWaalsContact O-N 3.11Å; V1130-R1132 VanDerWaalsContact C-N 3.34Å; V1130-R1132 PolarHBondContact O-N 2.86Å; R1132-W1136 PolarHBondContact O-N 3.46Å; R1132-V1469 HydrophobicContact CG-CG2 3.77Å |
| 1133 | E | 94.4 | Very high | 93.6 | Very high | 3 Ų | 3 | 30.3 Ų | 30.3 | 1% | 0.014 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -72.2 | -39.4 | 178.8 | -60.8 | -131.6 | 125.9 | 0 | 0 | 112.3 | L1069 L1129 V1130 N1131 Y1135 W1136 T1172 C1175 | L1069-E1133 VanDerWaalsContact CD2-OE1 3.29Å; L1069-E1133 WeakPolarHBondContact CD2-OE1 3.5Å; L1129-E1133 HydrophobicContact CD2-CG 3.9Å; L1129-E1133 HydrophobicContact CG-CG 4.38Å; L1129-E1133 VanDerWaalsContact O-CG 3.26Å; L1129-E1133 WeakPolarHBondContact O-CG 3.35Å; L1129-E1133 PolarHBondContact O-N 3.22Å; V1130-E1133 PolarHBondContact O-N 3.45Å; N1131-E1133 PolarHBondContact O-N 3.25Å; E1133-Y1135 PolarHBondContact O-N 3.09Å; E1133-W1136 WeakPolarHBondContact O-CB 3.3Å; E1133-W1136 PolarHBondContact O-N 3.21Å; E1133-T1172 WeakPolarHBondContact OE2-CA 3.09Å; E1133-T1172 VanDerWaalsContact OE2-CB 3.22Å; E1133-T1172 WeakPolarHBondContact OE2-CB 3.5Å; E1133-T1172 VanDerWaalsContact OE2-CG2 3.23Å; E1133-T1172 WeakPolarHBondContact OE2-CG2 3.33Å; E1133-T1172 PolarHBondContact OE2-OG1 3.01Å; E1133-C1175 HydrophobicContact CB-CB 3.68Å |
| 1134 | A | 91.6 | Very high | 93.7 | Very high | 12 Ų | 12 | 32.1 Ų | 32.1 | 10% | 0.099 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.5 | -45.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1130 N1131 W1136 P1138 C1175 G1179 | V1130-A1134 PolarHBondContact O-N 3.26Å; N1131-A1134 PolarHBondContact O-N 2.91Å; A1134-W1136 VanDerWaalsContact C-N 3.34Å; A1134-W1136 PolarHBondContact O-N 3.18Å; A1134-P1138 VanDerWaalsContact O-CD 3.3Å; A1134-P1138 WeakPolarHBondContact O-CD 3.35Å; A1134-C1175 HydrophobicContact CB-CB 4.39Å; A1134-G1179 WeakPolarHBondContact O-CA 3.27Å |
| 1135 | Y | 94.2 | Very high | 93.8 | Very high | 12 Ų | 12 | 33.5 Ų | 33.5 | 5% | 0.047 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -4.2 | 178.6 | -65.7 | -79 | 0 | 0 | 0 | 114.2 | N1131 E1133 T1139 Q1182 Q1471 L1476 G1617 Q1619 | N1131-Y1135 VanDerWaalsContact O-CD2 3.28Å; N1131-Y1135 WeakPolarHBondContact O-CD2 3.39Å; N1131-Y1135 PolarHBondContact O-N 2.72Å; E1133-Y1135 PolarHBondContact O-N 3.09Å; Y1135-T1139 WeakPolarHBondContact O-CB 3.18Å; Y1135-T1139 PolarHBondContact O-N 3.13Å; Y1135-T1139 PolarHBondContact O-OG1 3.15Å; Y1135-Q1182 VanDerWaalsContact CE1-NE2 3.25Å; Y1135-Q1471 HydrophobicContact CD2-CB 4.17Å; Y1135-Q1471 HydrophobicContact CD2-CG 3.84Å; Y1135-Q1471 HydrophobicContact CE2-CB 4.42Å; Y1135-Q1471 HydrophobicContact CE2-CG 4.44Å; Y1135-Q1471 HydrophobicContact CG-CB 4.45Å; Y1135-Q1471 HydrophobicContact CG-CG 4.25Å; Y1135-L1476 HydrophobicContact CD1-CD1 4.02Å; Y1135-G1617 PolarHBondContact OH-O 2.67Å; Y1135-Q1619 PolarHBondContact OH-OE1 2.83Å |
| 1136 | W | 95.2 | Very high | 93.9 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.9 | -53.3 | -178.4 | 171.1 | 28.6 | 0 | 0 | 0 | 112.6 | F1057 L1065 L1069 R1132 E1133 A1134 T1139 E1140 F1157 L1160 L1176 Y1463 F1464 L1467 | F1057-W1136 HydrophobicContact CD2-CH2 4.36Å; F1057-W1136 AromaticContact CD2-CZ2 3.7Å; F1057-W1136 HydrophobicContact CD2-CZ2 3.7Å; F1057-W1136 AromaticContact CE2-CH2 3.88Å; F1057-W1136 HydrophobicContact CE2-CH2 3.88Å; F1057-W1136 AromaticContact CE2-CZ2 3.61Å; F1057-W1136 HydrophobicContact CE2-CZ2 3.61Å; F1057-W1136 HydrophobicContact CZ-CZ2 4.47Å; L1065-W1136 HydrophobicContact CD2-CH2 4.22Å; L1069-W1136 HydrophobicContact CD1-CH2 4.18Å; L1069-W1136 HydrophobicContact CD1-CZ3 3.9Å; R1132-W1136 PolarHBondContact O-N 3.46Å; E1133-W1136 WeakPolarHBondContact O-CB 3.3Å; E1133-W1136 PolarHBondContact O-N 3.21Å; A1134-W1136 VanDerWaalsContact C-N 3.34Å; A1134-W1136 PolarHBondContact O-N 3.18Å; W1136-T1139 PolarHBondContact O-N 3.43Å; W1136-E1140 PolarHBondContact O-N 3.43Å; W1136-F1157 HydrophobicContact CD2-CE1 4.03Å; W1136-F1157 AromaticContact CE2-CE1 3.77Å; W1136-F1157 HydrophobicContact CE3-CE1 4.34Å; W1136-F1157 HydrophobicContact CH2-CE1 4.21Å; W1136-F1157 AromaticContact CZ2-CE1 3.87Å; W1136-F1157 HydrophobicContact CZ2-CE1 3.87Å; W1136-F1157 HydrophobicContact CZ2-CZ 4.43Å; W1136-F1157 HydrophobicContact CZ3-CE1 4.43Å; W1136-L1160 HydrophobicContact CH2-CD2 3.55Å; W1136-L1160 HydrophobicContact CZ3-CD2 3.75Å; W1136-L1176 HydrophobicContact CE3-CD2 3.95Å; W1136-L1176 HydrophobicContact CZ3-CD2 4.14Å; W1136-Y1463 AromaticContact CZ2-CE1 3.74Å; W1136-Y1463 HydrophobicContact CZ2-CE1 3.74Å; W1136-Y1463 AromaticContact NE1-CE1 3.84Å; W1136-Y1463 AromaticContact NE1-CZ 3.78Å; W1136-Y1463 PolarHBondContact NE1-OH 3.08Å; W1136-F1464 HydrophobicContact CD2-CE1 4.21Å; W1136-F1464 AromaticContact CE2-CE1 3.97Å; W1136-F1464 HydrophobicContact CE3-CE1 4.22Å; W1136-F1464 AromaticContact CH2-CE1 3.83Å; W1136-F1464 HydrophobicContact CH2-CE1 3.83Å; W1136-F1464 AromaticContact CH2-CZ 3.63Å; W1136-F1464 HydrophobicContact CH2-CZ 3.63Å; W1136-F1464 AromaticContact CZ2-CE1 3.79Å; W1136-F1464 HydrophobicContact CZ2-CE1 3.79Å; W1136-F1464 AromaticContact CZ2-CZ 3.96Å; W1136-F1464 HydrophobicContact CZ2-CZ 3.96Å; W1136-F1464 HydrophobicContact CZ3-CE1 4.04Å; W1136-F1464 AromaticContact CZ3-CZ 3.99Å; W1136-F1464 HydrophobicContact CZ3-CZ 3.99Å; W1136-L1467 HydrophobicContact CB-CD2 4.43Å; W1136-L1467 VanDerWaalsContact CD1-CD2 3.47Å; W1136-L1467 HydrophobicContact CD2-CD2 4.4Å; W1136-L1467 HydrophobicContact CG-CD2 3.86Å |
| 1137 | A | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.5 | -46.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1139 E1140 I1141 F1157 L1176 L1180 | A1137-T1139 VanDerWaalsContact C-N 3.29Å; A1137-T1139 PolarHBondContact O-N 2.86Å; A1137-E1140 PolarHBondContact O-N 3.25Å; A1137-I1141 WeakPolarHBondContact O-CB 3.31Å; A1137-I1141 VanDerWaalsContact O-CG1 3.28Å; A1137-I1141 WeakPolarHBondContact O-CG1 3.25Å; A1137-I1141 PolarHBondContact O-N 3.45Å; A1137-F1157 HydrophobicContact CB-CD1 3.9Å; A1137-F1157 HydrophobicContact CB-CD2 4.07Å; A1137-F1157 HydrophobicContact CB-CE1 3.94Å; A1137-F1157 HydrophobicContact CB-CE2 4.11Å; A1137-F1157 HydrophobicContact CB-CG 3.97Å; A1137-F1157 HydrophobicContact CB-CZ 4.05Å; A1137-L1176 HydrophobicContact CB-CD2 4.19Å; A1137-L1180 HydrophobicContact CB-CD2 4.48Å |
| 1138 | P | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -49.3 | -47.3 | 167.9 | -28.5 | 31 | 0 | 0 | 0 | 113.5 | A1134 C1142 G1179 Q1182 V1185 L1476 | A1134-P1138 VanDerWaalsContact O-CD 3.3Å; A1134-P1138 WeakPolarHBondContact O-CD 3.35Å; P1138-C1142 WeakPolarHBondContact O-CB 3.35Å; P1138-C1142 PolarHBondContact O-N 2.93Å; P1138-C1142 PolarHBondContact O-SG 2.81Å; P1138-G1179 WeakPolarHBondContact CG-O 3.36Å; P1138-Q1182 HydrophobicContact CG-CG 4.43Å; P1138-V1185 HydrophobicContact CB-CG2 4.19Å; P1138-V1185 HydrophobicContact CG-CG2 4.4Å; P1138-L1476 HydrophobicContact CB-CD1 3.84Å; P1138-L1476 HydrophobicContact CB-CD2 4.1Å |
| 1139 | T | 95.6 | Very high | 94.2 | Very high | 6 Ų | 6 | 37.6 Ų | 37.6 | 4% | 0.037 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.1 | -47.1 | -176.1 | -58.7 | 0 | 0 | 0 | 0 | 112.3 | Y1135 W1136 A1137 N1143 R1468 V1470 | Y1135-T1139 WeakPolarHBondContact O-CB 3.18Å; Y1135-T1139 PolarHBondContact O-N 3.13Å; Y1135-T1139 PolarHBondContact O-OG1 3.15Å; W1136-T1139 PolarHBondContact O-N 3.43Å; A1137-T1139 VanDerWaalsContact C-N 3.29Å; A1137-T1139 PolarHBondContact O-N 2.86Å; T1139-N1143 WeakPolarHBondContact O-CB 3.31Å; T1139-N1143 PolarHBondContact O-N 3.16Å; T1139-N1143 PolarHBondContact O-ND2 3.38Å; T1139-R1468 WeakPolarHBondContact CG2-O 3.39Å; T1139-V1470 HydrophobicContact CG2-CB 4.29Å; T1139-V1470 HydrophobicContact CG2-CG2 3.97Å; T1139-V1470 PolarHBondContact OG1-N 3.36Å |
| 1140 | E | 95.4 | Very high | 94.4 | Very high | 45 Ų | 45 | 37.5 Ų | 37.5 | 21% | 0.21 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.6 | -43.7 | 178.6 | -77.6 | -86.6 | 162.4 | 0 | 0 | 111.5 | W1136 A1137 N1143 E1144 F1157 Y1463 | W1136-E1140 PolarHBondContact O-N 3.43Å; A1137-E1140 PolarHBondContact O-N 3.25Å; E1140-N1143 PolarHBondContact O-N 3.12Å; E1140-E1144 PolarHBondContact O-N 3.04Å; E1140-F1157 HydrophobicContact CB-CE2 3.91Å; E1140-F1157 HydrophobicContact CB-CZ 3.9Å; E1140-F1157 HydrophobicContact CG-CZ 4.16Å; E1140-Y1463 WeakPolarHBondContact CG-OH 3.36Å; E1140-Y1463 WeakPolarHBondContact OE1-CE2 3.31Å; E1140-Y1463 PolarHBondContact OE1-OH 3.04Å |
| 1141 | I | 96.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.9 | -43.7 | -179.2 | -67.6 | 170.5 | 0 | 0 | 0 | 111.2 | A1137 N1143 E1144 R1150 L1153 L1154 F1157 L1180 V1185 L1188 | A1137-I1141 WeakPolarHBondContact O-CB 3.31Å; A1137-I1141 VanDerWaalsContact O-CG1 3.28Å; A1137-I1141 WeakPolarHBondContact O-CG1 3.25Å; A1137-I1141 PolarHBondContact O-N 3.45Å; I1141-N1143 VanDerWaalsContact C-N 3.28Å; I1141-N1143 PolarHBondContact O-N 3.18Å; I1141-E1144 PolarHBondContact O-N 2.97Å; I1141-R1150 HydrophobicContact CG2-CG 3.83Å; I1141-R1150 WeakPolarHBondContact O-CD 3.27Å; I1141-L1153 HydrophobicContact CG1-CB 4.41Å; I1141-L1154 HydrophobicContact CD1-CD1 4.33Å; I1141-F1157 HydrophobicContact CD1-CD2 4.05Å; I1141-F1157 HydrophobicContact CD1-CE2 4.44Å; I1141-F1157 HydrophobicContact CG1-CD2 4.19Å; I1141-F1157 HydrophobicContact CG1-CE2 4.17Å; I1141-L1180 HydrophobicContact CD1-CD2 3.49Å; I1141-L1180 VanDerWaalsContact CD1-CD2 3.49Å; I1141-V1185 HydrophobicContact CD1-CG1 4.15Å; I1141-V1185 HydrophobicContact CG2-CG1 4.33Å; I1141-L1188 HydrophobicContact CG2-CD1 3.74Å |
| 1142 | C | 95.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -77.8 | -6.5 | -179.2 | -60.7 | 0 | 0 | 0 | 0 | 113.8 | P1138 L1476 L1479 I1483 | P1138-C1142 WeakPolarHBondContact O-CB 3.35Å; P1138-C1142 PolarHBondContact O-N 2.93Å; P1138-C1142 PolarHBondContact O-SG 2.81Å; C1142-L1476 HydrophobicContact CB-CD2 4.18Å; C1142-L1479 HydrophobicContact CB-CB 4.02Å; C1142-L1479 WeakPolarHBondContact O-CB 3.45Å; C1142-I1483 WeakPolarHBondContact O-CD1 3.47Å |
| 1143 | N | 93.8 | Very high | 95.1 | Very high | 88 Ų | 88 | 36.3 Ų | 36.3 | 47% | 0.471 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -98.3 | -20.4 | 171.7 | -81 | -75.1 | 0 | 0 | 0 | 113.8 | T1139 E1140 I1141 T1145 | T1139-N1143 WeakPolarHBondContact O-CB 3.31Å; T1139-N1143 PolarHBondContact O-N 3.16Å; T1139-N1143 PolarHBondContact O-ND2 3.38Å; E1140-N1143 PolarHBondContact O-N 3.12Å; I1141-N1143 VanDerWaalsContact C-N 3.28Å; I1141-N1143 PolarHBondContact O-N 3.18Å; N1143-T1145 PolarHBondContact O-N 3.2Å |
| 1144 | E | 94.8 | Very high | 95.3 | Very high | 38 Ų | 38 | 36.3 Ų | 36.3 | 18% | 0.178 | 19% | 0.185 | C | C | . | . | trans | -84.2 | 94.7 | 179.3 | -179.3 | 52.5 | -83.8 | 0 | 0 | 111.9 | E1140 I1141 N1146 R1149 R1150 L1153 | E1140-E1144 PolarHBondContact O-N 3.04Å; I1141-E1144 PolarHBondContact O-N 2.97Å; E1144-N1146 VanDerWaalsContact C-N 3.26Å; E1144-N1146 PolarHBondContact O-N 2.82Å; E1144-N1146 WeakPolarHBondContact OE1-CB 3.13Å; E1144-N1146 PolarHBondContact OE1-N 2.91Å; E1144-R1149 HydrophobicContact CG-CB 3.59Å; E1144-R1149 WeakPolarHBondContact OE2-CB 3.2Å; E1144-R1149 WeakPolarHBondContact OE2-CD 3.15Å; E1144-R1149 IonicContact OE2-NH1 3.43Å; E1144-R1149 PolarHBondContact OE2-NH1 3.29Å; E1144-R1150 HydrophobicContact CB-CB 4.44Å; E1144-R1150 HydrophobicContact CG-CB 4.22Å; E1144-R1150 WeakPolarHBondContact O-CD 3.37Å; E1144-R1150 PolarHBondContact O-NH1 3.29Å; E1144-L1153 HydrophobicContact CB-CD1 3.5Å; E1144-L1153 VanDerWaalsContact CB-CD1 3.5Å; E1144-L1153 HydrophobicContact CG-CD1 3.93Å | ||
| 1145 | T | 93.4 | Very high | 95.5 | Very high | 107 Ų | 107 | 37.9 Ų | 37.9 | 66% | 0.656 | 19% | 0.189 | S | C | * | . | trans | -57.5 | -32.5 | 177.3 | 59.7 | 0 | 0 | 0 | 0 | 113.8 | N1143 L1147 R1150 I1483 | N1143-T1145 PolarHBondContact O-N 3.2Å; T1145-L1147 PolarHBondContact O-N 2.91Å; T1145-R1150 PolarHBondContact O-NH1 3.22Å; T1145-I1483 HydrophobicContact CG2-CD1 4.37Å; T1145-I1483 HydrophobicContact CG2-CG1 4.34Å | ||
| 1146 | N | 94.9 | Very high | 95.6 | Very high | 74 Ų | 74 | 40 Ų | 40 | 40% | 0.396 | 20% | 0.197 | S | C | . | . | trans | -77.4 | 113.5 | -176.5 | -175.5 | -82.5 | 0 | 0 | 0 | 111.9 | E1144 N1148 R1149 R1150 | E1144-N1146 VanDerWaalsContact C-N 3.26Å; E1144-N1146 PolarHBondContact O-N 2.82Å; E1144-N1146 WeakPolarHBondContact OE1-CB 3.13Å; E1144-N1146 PolarHBondContact OE1-N 2.91Å; N1146-N1148 PolarHBondContact O-N 2.83Å; N1146-N1148 PolarHBondContact OD1-N 3.11Å; N1146-R1149 HydrophobicContact CB-CB 4.17Å; N1146-R1149 HydrophobicContact CB-CG 4.21Å; N1146-R1149 PolarHBondContact O-N 2.95Å; N1146-R1149 VanDerWaalsContact O-N 3.11Å; N1146-R1149 PolarHBondContact OD1-N 3.06Å; N1146-R1149 VanDerWaalsContact OD1-N 3.1Å; N1146-R1150 WeakPolarHBondContact O-CB 3.46Å; N1146-R1150 PolarHBondContact O-N 3.27Å | ||
| 1147 | L | 94.3 | Very high | 95.7 | Very high | 30 Ų | 30 | 39.9 Ų | 39.9 | 16% | 0.157 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -50.3 | -48.2 | -177.3 | 177.6 | 57.2 | 0 | 0 | 0 | 113.8 | T1145 R1149 R1150 V1151 Q1190 | T1145-L1147 PolarHBondContact O-N 2.91Å; L1147-R1149 PolarHBondContact O-N 3.14Å; L1147-R1150 PolarHBondContact O-N 2.78Å; L1147-V1151 HydrophobicContact CD1-CG2 4.23Å; L1147-V1151 VanDerWaalsContact O-CG2 3.27Å; L1147-V1151 WeakPolarHBondContact O-CG2 3.41Å; L1147-V1151 PolarHBondContact O-N 3.1Å; L1147-Q1190 HydrophobicContact CD1-CB 4.19Å; L1147-Q1190 HydrophobicContact CD2-CB 4.28Å |
| 1148 | N | 95.4 | Very high | 95.8 | Very high | 96 Ų | 96 | 39.9 Ų | 39.9 | 51% | 0.513 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66.4 | -38.6 | -177.4 | -66.1 | -4.6 | 0 | 0 | 0 | 111.8 | N1146 D1152 R1194 | N1146-N1148 PolarHBondContact O-N 2.83Å; N1146-N1148 PolarHBondContact OD1-N 3.11Å; N1148-D1152 PolarHBondContact O-N 2.98Å; N1148-D1152 VanDerWaalsContact O-N 3.14Å; N1148-R1194 PolarHBondContact OD1-NH1 3.31Å |
| 1149 | R | 95 | Very high | 95.9 | Very high | 152 Ų | 152 | 44.2 Ų | 44.2 | 57% | 0.574 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -68.3 | -39.3 | 173.4 | -68.6 | -176.2 | 178.9 | -179.5 | 0.1 | 112.3 | E1144 N1146 L1147 V1151 D1152 L1153 | E1144-R1149 HydrophobicContact CG-CB 3.59Å; E1144-R1149 WeakPolarHBondContact OE2-CB 3.2Å; E1144-R1149 WeakPolarHBondContact OE2-CD 3.15Å; E1144-R1149 IonicContact OE2-NH1 3.43Å; E1144-R1149 PolarHBondContact OE2-NH1 3.29Å; N1146-R1149 HydrophobicContact CB-CB 4.17Å; N1146-R1149 HydrophobicContact CB-CG 4.21Å; N1146-R1149 PolarHBondContact O-N 2.95Å; N1146-R1149 VanDerWaalsContact O-N 3.11Å; N1146-R1149 PolarHBondContact OD1-N 3.06Å; N1146-R1149 VanDerWaalsContact OD1-N 3.1Å; L1147-R1149 PolarHBondContact O-N 3.14Å; R1149-V1151 VanDerWaalsContact C-N 3.33Å; R1149-V1151 PolarHBondContact O-N 2.91Å; R1149-D1152 CarbonylContact O-C 3.52Å; R1149-D1152 WeakPolarHBondContact O-CA 3.38Å; R1149-D1152 WeakPolarHBondContact O-CB 3.28Å; R1149-D1152 PolarHBondContact O-N 2.97Å; R1149-L1153 WeakPolarHBondContact O-CG 3.33Å; R1149-L1153 PolarHBondContact O-N 3.03Å |
| 1150 | R | 96.4 | Very high | 95.9 | Very high | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.015 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.7 | -39.9 | 177.6 | -168.1 | 170.3 | 57.1 | -107.2 | 10.5 | 111.7 | I1141 E1144 T1145 N1146 L1147 D1152 L1153 L1154 T1191 E1484 | I1141-R1150 HydrophobicContact CG2-CG 3.83Å; I1141-R1150 WeakPolarHBondContact O-CD 3.27Å; E1144-R1150 HydrophobicContact CB-CB 4.44Å; E1144-R1150 HydrophobicContact CG-CB 4.22Å; E1144-R1150 WeakPolarHBondContact O-CD 3.37Å; E1144-R1150 PolarHBondContact O-NH1 3.29Å; T1145-R1150 PolarHBondContact O-NH1 3.22Å; N1146-R1150 WeakPolarHBondContact O-CB 3.46Å; N1146-R1150 PolarHBondContact O-N 3.27Å; L1147-R1150 PolarHBondContact O-N 2.78Å; R1150-D1152 VanDerWaalsContact C-N 3.33Å; R1150-D1152 PolarHBondContact O-N 2.83Å; R1150-L1153 WeakPolarHBondContact O-CB 3.28Å; R1150-L1153 PolarHBondContact O-N 2.88Å; R1150-L1154 PolarHBondContact O-N 2.8Å; R1150-T1191 HydrophobicContact CB-CG2 4.39Å; R1150-T1191 HydrophobicContact CG-CG2 3.95Å; R1150-T1191 PolarHBondContact NE-OG1 3.12Å; R1150-T1191 PolarHBondContact NH2-OG1 3.33Å; R1150-E1484 IonicContact CZ-OE1 3.72Å; R1150-E1484 IonicContact NE-OE1 2.62Å; R1150-E1484 IonicContact NH2-OE1 3.96Å; R1150-E1484 PolarHBondContact NH2-OE1 2.84Å |
| 1151 | V | 97.1 | Very high | 96 | Very high | 5 Ų | 5 | 41.8 Ų | 41.8 | 3% | 0.03 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.4 | -40.8 | 168.4 | 169.8 | 0 | 0 | 0 | 0 | 111.6 | L1147 R1149 L1154 K1155 T1191 R1194 | L1147-V1151 HydrophobicContact CD1-CG2 4.23Å; L1147-V1151 VanDerWaalsContact O-CG2 3.27Å; L1147-V1151 WeakPolarHBondContact O-CG2 3.41Å; L1147-V1151 PolarHBondContact O-N 3.1Å; R1149-V1151 VanDerWaalsContact C-N 3.33Å; R1149-V1151 PolarHBondContact O-N 2.91Å; V1151-L1154 PolarHBondContact O-N 2.9Å; V1151-K1155 HydrophobicContact CG1-CD 4.5Å; V1151-K1155 WeakPolarHBondContact O-CG 3.4Å; V1151-K1155 PolarHBondContact O-N 2.84Å; V1151-T1191 HydrophobicContact CG2-CG2 3.91Å; V1151-T1191 WeakPolarHBondContact CG2-O 3.2Å; V1151-R1194 WeakPolarHBondContact CG1-O 3.33Å; V1151-R1194 HydrophobicContact CG2-CB 3.75Å |
| 1152 | D | 95.9 | Very high | 96 | Very high | 80 Ų | 80 | 46 Ų | 46 | 43% | 0.428 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -73.4 | -28.9 | 177.1 | -73.8 | -18.2 | 0 | 0 | 0 | 114.1 | N1148 R1149 R1150 K1155 R1156 | N1148-D1152 PolarHBondContact O-N 2.98Å; N1148-D1152 VanDerWaalsContact O-N 3.14Å; R1149-D1152 CarbonylContact O-C 3.52Å; R1149-D1152 WeakPolarHBondContact O-CA 3.38Å; R1149-D1152 WeakPolarHBondContact O-CB 3.28Å; R1149-D1152 PolarHBondContact O-N 2.97Å; R1150-D1152 VanDerWaalsContact C-N 3.33Å; R1150-D1152 PolarHBondContact O-N 2.83Å; D1152-K1155 WeakPolarHBondContact OD1-CD 3.03Å; D1152-K1155 IonicContact OD1-NZ 2.71Å; D1152-K1155 PolarHBondContact OD1-NZ 3.43Å; D1152-R1156 WeakPolarHBondContact O-CB 3.33Å; D1152-R1156 PolarHBondContact O-N 2.91Å; D1152-R1156 VanDerWaalsContact O-N 3.16Å |
| 1153 | L | 96.9 | Very high | 96 | Very high | 6 Ų | 6 | 46.7 Ų | 46.7 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.9 | -49.5 | 167.2 | -65 | 176.1 | 0 | 0 | 0 | 110 | F1057 T1058 I1141 E1144 R1149 R1150 K1155 R1156 F1157 | F1057-L1153 HydrophobicContact CD1-CD2 3.72Å; F1057-L1153 HydrophobicContact CE1-CD2 4.4Å; T1058-L1153 HydrophobicContact CG2-CD2 3.85Å; I1141-L1153 HydrophobicContact CG1-CB 4.41Å; E1144-L1153 HydrophobicContact CB-CD1 3.5Å; E1144-L1153 VanDerWaalsContact CB-CD1 3.5Å; E1144-L1153 HydrophobicContact CG-CD1 3.93Å; R1149-L1153 WeakPolarHBondContact O-CG 3.33Å; R1149-L1153 PolarHBondContact O-N 3.03Å; R1150-L1153 WeakPolarHBondContact O-CB 3.28Å; R1150-L1153 PolarHBondContact O-N 2.88Å; L1153-K1155 PolarHBondContact O-N 2.85Å; L1153-R1156 CarbonylContact O-C 3.44Å; L1153-R1156 WeakPolarHBondContact O-CA 3.05Å; L1153-R1156 WeakPolarHBondContact O-CB 3.46Å; L1153-R1156 PolarHBondContact O-N 3.02Å; L1153-F1157 HydrophobicContact CB-CE2 4.42Å; L1153-F1157 VanDerWaalsContact O-CD2 3.28Å; L1153-F1157 WeakPolarHBondContact O-CD2 3.46Å; L1153-F1157 PolarHBondContact O-N 3Å |
| 1154 | L | 97.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.8 | -49.9 | 178.9 | -179.3 | 58.2 | 0 | 0 | 0 | 111.9 | I1141 R1150 V1151 R1156 F1157 I1158 L1180 T1191 W1192 L1195 | I1141-L1154 HydrophobicContact CD1-CD1 4.33Å; R1150-L1154 PolarHBondContact O-N 2.8Å; V1151-L1154 PolarHBondContact O-N 2.9Å; L1154-R1156 PolarHBondContact O-N 3.07Å; L1154-F1157 PolarHBondContact O-N 2.81Å; L1154-I1158 HydrophobicContact CD1-CD1 3.99Å; L1154-I1158 HydrophobicContact CD1-CG1 4.36Å; L1154-I1158 HydrophobicContact CG-CD1 4.01Å; L1154-I1158 WeakPolarHBondContact O-CG1 3.5Å; L1154-I1158 PolarHBondContact O-N 2.96Å; L1154-L1180 HydrophobicContact CD1-CD1 4.2Å; L1154-L1180 HydrophobicContact CD1-CD2 3.53Å; L1154-L1180 HydrophobicContact CD1-CG 4.47Å; L1154-T1191 HydrophobicContact CD2-CG2 4.07Å; L1154-W1192 HydrophobicContact CD1-CH2 3.82Å; L1154-W1192 HydrophobicContact CD1-CZ2 4.08Å; L1154-W1192 HydrophobicContact CD1-CZ3 4.18Å; L1154-W1192 HydrophobicContact CD2-CD2 3.95Å; L1154-W1192 HydrophobicContact CD2-CE3 3.88Å; L1154-W1192 HydrophobicContact CD2-CH2 4.33Å; L1154-W1192 HydrophobicContact CD2-CZ2 4.38Å; L1154-W1192 HydrophobicContact CD2-CZ3 4.08Å; L1154-L1195 HydrophobicContact CD2-CB 4.47Å; L1154-L1195 HydrophobicContact CD2-CD1 4.29Å; L1154-L1195 HydrophobicContact CD2-CD2 4.06Å; L1154-L1195 HydrophobicContact CG-CD1 4.19Å; L1154-L1195 HydrophobicContact CG-CD2 4.28Å |
| 1155 | K | 96.7 | Very high | 96 | Very high | 46 Ų | 46 | 44.5 Ų | 44.5 | 20% | 0.2 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -52.5 | -40.4 | 171.7 | -70.3 | 169.8 | -165.7 | 154.3 | 0 | 112.4 | V1151 D1152 L1153 K1159 L1195 Y1199 | V1151-K1155 HydrophobicContact CG1-CD 4.5Å; V1151-K1155 WeakPolarHBondContact O-CG 3.4Å; V1151-K1155 PolarHBondContact O-N 2.84Å; D1152-K1155 WeakPolarHBondContact OD1-CD 3.03Å; D1152-K1155 IonicContact OD1-NZ 2.71Å; D1152-K1155 PolarHBondContact OD1-NZ 3.43Å; L1153-K1155 PolarHBondContact O-N 2.85Å; K1155-K1159 WeakPolarHBondContact O-CB 3.29Å; K1155-K1159 PolarHBondContact O-N 3.41Å; K1155-K1159 VanDerWaalsContact O-N 3.08Å; K1155-L1195 HydrophobicContact CB-CD1 4.48Å; K1155-L1195 HydrophobicContact CG-CD1 3.53Å; K1155-Y1199 HydrophobicContact CB-CD1 4.23Å; K1155-Y1199 HydrophobicContact CB-CE1 4.16Å; K1155-Y1199 HydrophobicContact CB-CG 4.46Å; K1155-Y1199 HydrophobicContact CD-CD2 4.46Å; K1155-Y1199 HydrophobicContact CD-CE2 4.29Å; K1155-Y1199 HydrophobicContact CG-CD1 4.4Å; K1155-Y1199 HydrophobicContact CG-CD2 4.01Å; K1155-Y1199 HydrophobicContact CG-CE2 4.17Å; K1155-Y1199 HydrophobicContact CG-CG 4.13Å |
| 1156 | R | 96 | Very high | 95.9 | Very high | 56 Ų | 56 | 43.5 Ų | 43.5 | 21% | 0.211 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -74.6 | -38.2 | -177.3 | -160.5 | -173.3 | -147.6 | 104.5 | -11.7 | 112.2 | F1057 T1058 L1060 D1152 L1153 L1154 K1159 L1160 | F1057-R1156 HydrophobicContact CE1-CB 3.77Å; F1057-R1156 VanDerWaalsContact CE1-CD 3.48Å; F1057-R1156 HydrophobicContact CE1-CG 3.87Å; F1057-R1156 HydrophobicContact CZ-CB 4.09Å; F1057-R1156 HydrophobicContact CZ-CG 3.83Å; F1057-R1156 PolarHBondContact O-NE 2.79Å; T1058-R1156 VanDerWaalsContact O-CZ 3.22Å; T1058-R1156 PolarHBondContact O-NH1 2.99Å; T1058-R1156 VanDerWaalsContact O-NH1 3.1Å; T1058-R1156 PolarHBondContact O-NH2 2.68Å; L1060-R1156 PolarHBondContact O-NE 3.12Å; L1060-R1156 PolarHBondContact O-NH2 3.41Å; D1152-R1156 WeakPolarHBondContact O-CB 3.33Å; D1152-R1156 PolarHBondContact O-N 2.91Å; D1152-R1156 VanDerWaalsContact O-N 3.16Å; L1153-R1156 CarbonylContact O-C 3.44Å; L1153-R1156 WeakPolarHBondContact O-CA 3.05Å; L1153-R1156 WeakPolarHBondContact O-CB 3.46Å; L1153-R1156 PolarHBondContact O-N 3.02Å; L1154-R1156 PolarHBondContact O-N 3.07Å; R1156-K1159 PolarHBondContact O-N 2.78Å; R1156-L1160 WeakPolarHBondContact O-CB 3.22Å; R1156-L1160 PolarHBondContact O-N 2.78Å |
| 1157 | F | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.2 | -44.3 | 173.8 | -76.7 | -61.6 | 0 | 0 | 0 | 112.2 | F1057 W1136 A1137 E1140 I1141 L1153 L1154 K1159 L1160 A1161 L1176 | F1057-F1157 HydrophobicContact CD1-CE2 4.17Å; F1057-F1157 HydrophobicContact CD1-CZ 4.01Å; F1057-F1157 AromaticContact CE1-CD1 3.97Å; F1057-F1157 HydrophobicContact CE1-CD1 3.97Å; F1057-F1157 AromaticContact CE1-CD2 3.85Å; F1057-F1157 HydrophobicContact CE1-CD2 3.85Å; F1057-F1157 AromaticContact CE1-CE1 3.73Å; F1057-F1157 HydrophobicContact CE1-CE1 3.73Å; F1057-F1157 AromaticContact CE1-CE2 3.6Å; F1057-F1157 HydrophobicContact CE1-CE2 3.6Å; F1057-F1157 HydrophobicContact CE1-CG 4.03Å; F1057-F1157 AromaticContact CE1-CZ 3.53Å; F1057-F1157 HydrophobicContact CE1-CZ 3.53Å; F1057-F1157 HydrophobicContact CE2-CD1 4.37Å; F1057-F1157 AromaticContact CE2-CE1 3.93Å; F1057-F1157 HydrophobicContact CE2-CE1 3.93Å; F1057-F1157 HydrophobicContact CE2-CZ 4.33Å; F1057-F1157 AromaticContact CZ-CD1 3.53Å; F1057-F1157 HydrophobicContact CZ-CD1 3.53Å; F1057-F1157 HydrophobicContact CZ-CD2 4.26Å; F1057-F1157 AromaticContact CZ-CE1 3.4Å; F1057-F1157 HydrophobicContact CZ-CE1 3.4Å; F1057-F1157 HydrophobicContact CZ-CE2 4.14Å; F1057-F1157 AromaticContact CZ-CG 3.98Å; F1057-F1157 HydrophobicContact CZ-CG 3.98Å; F1057-F1157 AromaticContact CZ-CZ 3.72Å; F1057-F1157 HydrophobicContact CZ-CZ 3.72Å; W1136-F1157 HydrophobicContact CD2-CE1 4.03Å; W1136-F1157 AromaticContact CE2-CE1 3.77Å; W1136-F1157 HydrophobicContact CE3-CE1 4.34Å; W1136-F1157 HydrophobicContact CH2-CE1 4.21Å; W1136-F1157 AromaticContact CZ2-CE1 3.87Å; W1136-F1157 HydrophobicContact CZ2-CE1 3.87Å; W1136-F1157 HydrophobicContact CZ2-CZ 4.43Å; W1136-F1157 HydrophobicContact CZ3-CE1 4.43Å; A1137-F1157 HydrophobicContact CB-CD1 3.9Å; A1137-F1157 HydrophobicContact CB-CD2 4.07Å; A1137-F1157 HydrophobicContact CB-CE1 3.94Å; A1137-F1157 HydrophobicContact CB-CE2 4.11Å; A1137-F1157 HydrophobicContact CB-CG 3.97Å; A1137-F1157 HydrophobicContact CB-CZ 4.05Å; E1140-F1157 HydrophobicContact CB-CE2 3.91Å; E1140-F1157 HydrophobicContact CB-CZ 3.9Å; E1140-F1157 HydrophobicContact CG-CZ 4.16Å; I1141-F1157 HydrophobicContact CD1-CD2 4.05Å; I1141-F1157 HydrophobicContact CD1-CE2 4.44Å; I1141-F1157 HydrophobicContact CG1-CD2 4.19Å; I1141-F1157 HydrophobicContact CG1-CE2 4.17Å; L1153-F1157 HydrophobicContact CB-CE2 4.42Å; L1153-F1157 VanDerWaalsContact O-CD2 3.28Å; L1153-F1157 WeakPolarHBondContact O-CD2 3.46Å; L1153-F1157 PolarHBondContact O-N 3Å; L1154-F1157 PolarHBondContact O-N 2.81Å; F1157-K1159 VanDerWaalsContact C-N 3.3Å; F1157-K1159 PolarHBondContact O-N 3.41Å; F1157-L1160 WeakPolarHBondContact O-CB 3.4Å; F1157-L1160 PolarHBondContact O-N 3.48Å; F1157-A1161 PolarHBondContact O-N 2.84Å; F1157-L1176 HydrophobicContact CD1-CD2 3.72Å; F1157-L1176 HydrophobicContact CE1-CD2 4.12Å |
| 1158 | I | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.3 | -43.8 | 174 | -65.5 | 166 | 0 | 0 | 0 | 110.7 | L1154 L1160 A1161 K1162 L1180 L1195 Y1199 I1202 Y1203 | L1154-I1158 HydrophobicContact CD1-CD1 3.99Å; L1154-I1158 HydrophobicContact CD1-CG1 4.36Å; L1154-I1158 HydrophobicContact CG-CD1 4.01Å; L1154-I1158 WeakPolarHBondContact O-CG1 3.5Å; L1154-I1158 PolarHBondContact O-N 2.96Å; I1158-L1160 VanDerWaalsContact C-N 3.35Å; I1158-L1160 PolarHBondContact O-N 3.18Å; I1158-A1161 PolarHBondContact O-N 3.49Å; I1158-K1162 PolarHBondContact O-N 3.12Å; I1158-K1162 VanDerWaalsContact O-N 3.09Å; I1158-L1180 HydrophobicContact CG1-CD1 3.93Å; I1158-L1195 HydrophobicContact CD1-CD1 4.23Å; I1158-L1195 HydrophobicContact CD1-CD2 3.54Å; I1158-Y1199 HydrophobicContact CG2-CD1 4.43Å; I1158-I1202 HydrophobicContact CG2-CB 4.17Å; I1158-I1202 HydrophobicContact CG2-CG2 3.72Å; I1158-Y1203 HydrophobicContact CD1-CD2 4.29Å; I1158-Y1203 HydrophobicContact CG1-CD2 4.04Å |
| 1159 | K | 97.2 | Very high | 95.6 | Very high | 91 Ų | 91 | 36.7 Ų | 36.7 | 40% | 0.396 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -65.2 | -35.2 | 174.6 | -175.9 | 170.4 | 179.7 | 174.8 | 0 | 113 | P1062 K1155 R1156 F1157 L1163 | P1062-K1159 HydrophobicContact CG-CD 4.1Å; K1155-K1159 WeakPolarHBondContact O-CB 3.29Å; K1155-K1159 PolarHBondContact O-N 3.41Å; K1155-K1159 VanDerWaalsContact O-N 3.08Å; R1156-K1159 PolarHBondContact O-N 2.78Å; F1157-K1159 VanDerWaalsContact C-N 3.3Å; F1157-K1159 PolarHBondContact O-N 3.41Å; K1159-L1163 HydrophobicContact CG-CD1 4.23Å; K1159-L1163 WeakPolarHBondContact O-CD1 3.42Å; K1159-L1163 WeakPolarHBondContact O-CG 3.15Å; K1159-L1163 PolarHBondContact O-N 3.35Å; K1159-L1163 VanDerWaalsContact O-N 3.11Å |
| 1160 | L | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69.1 | -44.3 | 177.8 | -170.4 | 70.1 | 0 | 0 | 0 | 111.2 | F1057 P1062 L1065 A1066 L1069 W1136 R1156 F1157 I1158 K1162 L1163 C1164 L1176 | F1057-L1160 HydrophobicContact CE2-CD2 4.17Å; F1057-L1160 HydrophobicContact CZ-CD2 4.41Å; P1062-L1160 HydrophobicContact CB-CD1 4.44Å; L1065-L1160 HydrophobicContact CB-CD1 4.16Å; L1065-L1160 HydrophobicContact CD2-CD1 4.17Å; L1065-L1160 HydrophobicContact CD2-CD2 4.25Å; L1065-L1160 HydrophobicContact CG-CD1 4Å; A1066-L1160 HydrophobicContact CB-CD1 3.88Å; L1069-L1160 HydrophobicContact CD1-CD2 4.23Å; W1136-L1160 HydrophobicContact CH2-CD2 3.55Å; W1136-L1160 HydrophobicContact CZ3-CD2 3.75Å; R1156-L1160 WeakPolarHBondContact O-CB 3.22Å; R1156-L1160 PolarHBondContact O-N 2.78Å; F1157-L1160 WeakPolarHBondContact O-CB 3.4Å; F1157-L1160 PolarHBondContact O-N 3.48Å; I1158-L1160 VanDerWaalsContact C-N 3.35Å; I1158-L1160 PolarHBondContact O-N 3.18Å; L1160-K1162 PolarHBondContact O-N 2.88Å; L1160-L1163 PolarHBondContact O-N 2.76Å; L1160-L1163 VanDerWaalsContact O-N 3.14Å; L1160-C1164 PolarHBondContact O-N 2.76Å; L1160-C1164 PolarHBondContact O-SG 3.22Å; L1160-L1176 HydrophobicContact CB-CD1 4.09Å; L1160-L1176 HydrophobicContact CD2-CD1 3.8Å; L1160-L1176 HydrophobicContact CG-CD1 3.89Å |
| 1161 | A | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.7 | -43.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F1157 I1158 L1163 C1164 R1165 M1173 L1176 L1177 L1206 | F1157-A1161 PolarHBondContact O-N 2.84Å; I1158-A1161 PolarHBondContact O-N 3.49Å; A1161-L1163 PolarHBondContact O-N 3.46Å; A1161-C1164 PolarHBondContact O-N 3.25Å; A1161-R1165 PolarHBondContact O-N 2.79Å; A1161-M1173 HydrophobicContact CB-CG 4.39Å; A1161-L1176 HydrophobicContact CB-CB 4.19Å; A1161-L1176 HydrophobicContact CB-CD1 4.16Å; A1161-L1177 HydrophobicContact CB-CD2 4.32Å; A1161-L1177 HydrophobicContact CB-CG 4.3Å; A1161-L1206 HydrophobicContact CB-CD1 4.04Å |
| 1162 | K | 96.5 | Very high | 95.4 | Very high | 89 Ų | 89 | 29.3 Ų | 29.3 | 39% | 0.387 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -57.4 | -45.5 | 172 | 175 | 160 | 177.9 | 154.8 | 0 | 112.5 | I1158 L1160 C1164 R1165 E1166 I1202 L1206 | I1158-K1162 PolarHBondContact O-N 3.12Å; I1158-K1162 VanDerWaalsContact O-N 3.09Å; L1160-K1162 PolarHBondContact O-N 2.88Å; K1162-C1164 VanDerWaalsContact C-N 3.31Å; K1162-C1164 PolarHBondContact O-N 2.76Å; K1162-R1165 WeakPolarHBondContact O-CB 3.48Å; K1162-R1165 PolarHBondContact O-N 2.91Å; K1162-E1166 WeakPolarHBondContact CE-OE1 3.39Å; K1162-E1166 WeakPolarHBondContact CG-OE1 3.43Å; K1162-E1166 IonicContact NZ-OE1 3.88Å; K1162-E1166 WeakPolarHBondContact O-CG 3.36Å; K1162-E1166 PolarHBondContact O-N 2.93Å; K1162-I1202 HydrophobicContact CB-CG2 4.27Å; K1162-I1202 HydrophobicContact CD-CG2 4.05Å; K1162-L1206 HydrophobicContact CB-CD1 4.19Å |
| 1163 | L | 96 | Very high | 95.4 | Very high | 17 Ų | 17 | 25.5 Ų | 25.5 | 9% | 0.089 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66 | -32 | 177.8 | -72.5 | 162 | 0 | 0 | 0 | 112.6 | P1062 A1066 K1159 L1160 A1161 E1166 L1167 | P1062-L1163 HydrophobicContact CB-CD1 3.81Å; P1062-L1163 HydrophobicContact CG-CD1 4.28Å; A1066-L1163 HydrophobicContact CB-CB 3.68Å; K1159-L1163 HydrophobicContact CG-CD1 4.23Å; K1159-L1163 WeakPolarHBondContact O-CD1 3.42Å; K1159-L1163 WeakPolarHBondContact O-CG 3.15Å; K1159-L1163 PolarHBondContact O-N 3.35Å; K1159-L1163 VanDerWaalsContact O-N 3.11Å; L1160-L1163 PolarHBondContact O-N 2.76Å; L1160-L1163 VanDerWaalsContact O-N 3.14Å; A1161-L1163 PolarHBondContact O-N 3.46Å; L1163-E1166 PolarHBondContact O-N 3.08Å; L1163-L1167 WeakPolarHBondContact O-CB 3.38Å; L1163-L1167 VanDerWaalsContact O-CG 3.3Å; L1163-L1167 WeakPolarHBondContact O-CG 3.49Å; L1163-L1167 PolarHBondContact O-N 2.87Å; L1163-L1167 VanDerWaalsContact O-N 3.1Å |
| 1164 | C | 95.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.4 | -41.9 | 173.4 | -61.5 | 0 | 0 | 0 | 0 | 111.1 | L1160 A1161 K1162 E1166 L1167 L1168 N1169 M1173 | L1160-C1164 PolarHBondContact O-N 2.76Å; L1160-C1164 PolarHBondContact O-SG 3.22Å; A1161-C1164 PolarHBondContact O-N 3.25Å; K1162-C1164 VanDerWaalsContact C-N 3.31Å; K1162-C1164 PolarHBondContact O-N 2.76Å; C1164-E1166 PolarHBondContact O-N 3.08Å; C1164-L1167 CarbonylContact O-C 3.58Å; C1164-L1167 PolarHBondContact O-N 3.39Å; C1164-L1167 VanDerWaalsContact O-N 3.1Å; C1164-L1168 PolarHBondContact O-N 3.14Å; C1164-N1169 CarbonylContact C-O 3.44Å; C1164-N1169 HydrophobicContact CB-CB 4.15Å; C1164-N1169 WeakPolarHBondContact CB-O 3.43Å; C1164-N1169 WeakPolarHBondContact O-CA 3.42Å; C1164-N1169 PolarHBondContact O-N 3.28Å; C1164-M1173 HydrophobicContact CB-CB 4.09Å |
| 1165 | R | 93.1 | Very high | 95.1 | Very high | 80 Ų | 80 | 25.3 Ų | 25.3 | 30% | 0.302 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -59.3 | -44.4 | 171.6 | -171.2 | 174.1 | 170.4 | 178.2 | -1.3 | 112.4 | A1161 K1162 L1167 L1168 M1173 D1205 L1206 | A1161-R1165 PolarHBondContact O-N 2.79Å; K1162-R1165 WeakPolarHBondContact O-CB 3.48Å; K1162-R1165 PolarHBondContact O-N 2.91Å; R1165-L1167 PolarHBondContact O-N 3.4Å; R1165-L1168 PolarHBondContact O-N 3.47Å; R1165-L1168 VanDerWaalsContact O-N 3.11Å; R1165-M1173 HydrophobicContact CB-CG 4.34Å; R1165-M1173 HydrophobicContact CB-SD 3.67Å; R1165-M1173 HydrophobicContact CG-SD 3.9Å; R1165-D1205 PolarHBondContact NH1-O 3.42Å; R1165-L1206 HydrophobicContact CB-CD2 4.27Å |
| 1166 | E | 91.3 | Very high | 95.1 | Very high | 86 Ų | 86 | 23.1 Ų | 23.1 | 40% | 0.402 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -63.3 | -23.8 | 175.4 | -72.4 | 172.1 | -165 | 0 | 0 | 113.1 | K1162 L1163 C1164 | K1162-E1166 WeakPolarHBondContact CE-OE1 3.39Å; K1162-E1166 WeakPolarHBondContact CG-OE1 3.43Å; K1162-E1166 IonicContact NZ-OE1 3.88Å; K1162-E1166 WeakPolarHBondContact O-CG 3.36Å; K1162-E1166 PolarHBondContact O-N 2.93Å; L1163-E1166 PolarHBondContact O-N 3.08Å; C1164-E1166 PolarHBondContact O-N 3.08Å |
| 1167 | L | 91.6 | Very high | 95 | Very high | 17 Ų | 17 | 20.4 Ų | 20.4 | 9% | 0.089 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 7 | 175.8 | -71.6 | 173.9 | 0 | 0 | 0 | 113.8 | A1066 T1070 L1163 C1164 R1165 N1169 Y1282 L1284 | A1066-L1167 HydrophobicContact CB-CD1 3.91Å; T1070-L1167 HydrophobicContact CG2-CB 4.39Å; L1163-L1167 WeakPolarHBondContact O-CB 3.38Å; L1163-L1167 VanDerWaalsContact O-CG 3.3Å; L1163-L1167 WeakPolarHBondContact O-CG 3.49Å; L1163-L1167 PolarHBondContact O-N 2.87Å; L1163-L1167 VanDerWaalsContact O-N 3.1Å; C1164-L1167 CarbonylContact O-C 3.58Å; C1164-L1167 PolarHBondContact O-N 3.39Å; C1164-L1167 VanDerWaalsContact O-N 3.1Å; R1165-L1167 PolarHBondContact O-N 3.4Å; L1167-N1169 PolarHBondContact O-N 2.97Å; L1167-N1169 VanDerWaalsContact O-N 3.14Å; L1167-Y1282 PolarHBondContact O-OH 2.97Å; L1167-L1284 HydrophobicContact CD2-CD2 3.89Å |
| 1168 | L | 92.2 | Very high | 94.6 | Very high | 40 Ų | 40 | 21.6 Ų | 21.6 | 21% | 0.209 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 24.4 | -172.8 | -51.5 | 178.6 | 0 | 0 | 0 | 113.6 | C1164 R1165 F1170 V1228 M1232 L1233 | C1164-L1168 PolarHBondContact O-N 3.14Å; R1165-L1168 PolarHBondContact O-N 3.47Å; R1165-L1168 VanDerWaalsContact O-N 3.11Å; L1168-F1170 HydrophobicContact CB-CE2 4.33Å; L1168-F1170 HydrophobicContact CD2-CE2 4.32Å; L1168-F1170 HydrophobicContact CD2-CZ 4.26Å; L1168-F1170 PolarHBondContact O-N 3.41Å; L1168-V1228 HydrophobicContact CD1-CG1 3.92Å; L1168-V1228 HydrophobicContact CD2-CG1 3.98Å; L1168-M1232 HydrophobicContact CB-CB 3.83Å; L1168-M1232 HydrophobicContact CD1-CB 4.38Å; L1168-L1233 PolarHBondContact O-N 2.68Å |
| 1169 | N | 93.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | B | Isolated β-bridge | trans | -89.1 | 88 | 167.7 | -179.7 | -11.2 | 0 | 0 | 0 | 108.7 | T1070 C1164 L1167 N1171 T1172 M1173 L1233 | T1070-N1169 HydrophobicContact CG2-CB 3.8Å; T1070-N1169 WeakPolarHBondContact OG1-CB 3.33Å; T1070-N1169 PolarHBondContact OG1-ND2 3.18Å; T1070-N1169 VanDerWaalsContact OG1-ND2 3.09Å; C1164-N1169 CarbonylContact C-O 3.44Å; C1164-N1169 HydrophobicContact CB-CB 4.15Å; C1164-N1169 WeakPolarHBondContact CB-O 3.43Å; C1164-N1169 WeakPolarHBondContact O-CA 3.42Å; C1164-N1169 PolarHBondContact O-N 3.28Å; L1167-N1169 PolarHBondContact O-N 2.97Å; L1167-N1169 VanDerWaalsContact O-N 3.14Å; N1169-N1171 PolarHBondContact OD1-N 2.95Å; N1169-T1172 WeakPolarHBondContact ND2-CB 3.28Å; N1169-T1172 PolarHBondContact ND2-OG1 3.22Å; N1169-T1172 WeakPolarHBondContact OD1-CB 3.42Å; N1169-T1172 PolarHBondContact OD1-N 3.19Å; N1169-T1172 PolarHBondContact OD1-OG1 2.9Å; N1169-M1173 WeakPolarHBondContact O-CB 3.36Å; N1169-L1233 WeakPolarHBondContact OD1-CD2 3.27Å |
| 1170 | F | 94 | Very high | 94 | Very high | 6 Ų | 6 | 17.2 Ų | 17.2 | 3% | 0.026 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -77.1 | -28.2 | 174.9 | -61 | -79.4 | 0 | 0 | 0 | 111.6 | L1168 M1173 F1174 Y1219 L1223 L1233 | L1168-F1170 HydrophobicContact CB-CE2 4.33Å; L1168-F1170 HydrophobicContact CD2-CE2 4.32Å; L1168-F1170 HydrophobicContact CD2-CZ 4.26Å; L1168-F1170 PolarHBondContact O-N 3.41Å; F1170-M1173 HydrophobicContact CD1-CE 4.19Å; F1170-M1173 HydrophobicContact CD1-SD 4.38Å; F1170-M1173 PolarHBondContact O-N 3.2Å; F1170-F1174 HydrophobicContact CB-CD2 4.36Å; F1170-F1174 WeakPolarHBondContact O-CB 3.32Å; F1170-F1174 VanDerWaalsContact O-CD2 3.3Å; F1170-F1174 WeakPolarHBondContact O-CD2 3.24Å; F1170-F1174 PolarHBondContact O-N 2.77Å; F1170-Y1219 HydrophobicContact CB-CE2 3.75Å; F1170-Y1219 HydrophobicContact CD1-CD2 4.25Å; F1170-Y1219 HydrophobicContact CD1-CE2 4.03Å; F1170-Y1219 HydrophobicContact CD2-CE2 4.32Å; F1170-Y1219 HydrophobicContact CG-CD2 4.45Å; F1170-Y1219 AromaticContact CG-CE2 3.78Å; F1170-Y1219 HydrophobicContact CG-CE2 3.78Å; F1170-L1223 HydrophobicContact CD2-CD2 4.06Å; F1170-L1223 HydrophobicContact CE2-CD2 4.06Å; F1170-L1233 WeakPolarHBondContact CB-O 3.47Å; F1170-L1233 PolarHBondContact N-O 3.18Å |
| 1171 | N | 94.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -57.7 | -60.8 | 179.6 | -164.9 | 60.9 | 0 | 0 | 0 | 112.8 | D1073 V1130 N1169 M1173 F1174 C1175 L1233 L1236 | D1073-N1171 PolarHBondContact OD2-ND2 3.2Å; V1130-N1171 WeakPolarHBondContact CG2-ND2 3.47Å; V1130-N1171 WeakPolarHBondContact CG2-OD1 3.18Å; N1169-N1171 PolarHBondContact OD1-N 2.95Å; N1171-M1173 VanDerWaalsContact C-N 3.28Å; N1171-M1173 PolarHBondContact O-N 3.46Å; N1171-F1174 PolarHBondContact O-N 3.22Å; N1171-C1175 PolarHBondContact O-N 3.17Å; N1171-C1175 PolarHBondContact O-SG 3Å; N1171-L1233 HydrophobicContact CB-CD2 3.47Å; N1171-L1233 VanDerWaalsContact CB-CD2 3.47Å; N1171-L1233 HydrophobicContact CB-CG 4.06Å; N1171-L1233 PolarHBondContact N-O 3.28Å; N1171-L1236 PolarHBondContact OD1-N 3.11Å |
| 1172 | T | 96 | Very high | 93 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.4 | -34.9 | 177.4 | -55 | 0 | 0 | 0 | 0 | 111.2 | L1069 D1073 E1133 N1169 C1175 L1176 | L1069-T1172 HydrophobicContact CD1-CG2 4.23Å; D1073-T1172 PolarHBondContact OD2-OG1 3.39Å; E1133-T1172 WeakPolarHBondContact OE2-CA 3.09Å; E1133-T1172 VanDerWaalsContact OE2-CB 3.22Å; E1133-T1172 WeakPolarHBondContact OE2-CB 3.5Å; E1133-T1172 VanDerWaalsContact OE2-CG2 3.23Å; E1133-T1172 WeakPolarHBondContact OE2-CG2 3.33Å; E1133-T1172 PolarHBondContact OE2-OG1 3.01Å; N1169-T1172 WeakPolarHBondContact ND2-CB 3.28Å; N1169-T1172 PolarHBondContact ND2-OG1 3.22Å; N1169-T1172 WeakPolarHBondContact OD1-CB 3.42Å; N1169-T1172 PolarHBondContact OD1-N 3.19Å; N1169-T1172 PolarHBondContact OD1-OG1 2.9Å; T1172-C1175 PolarHBondContact O-N 3.01Å; T1172-L1176 HydrophobicContact CG2-CD1 3.91Å; T1172-L1176 HydrophobicContact CG2-CG 4.16Å; T1172-L1176 WeakPolarHBondContact O-CB 3.35Å; T1172-L1176 VanDerWaalsContact O-CG 3.24Å; T1172-L1176 WeakPolarHBondContact O-CG 3.45Å; T1172-L1176 PolarHBondContact O-N 3.25Å |
| 1173 | M | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61 | -49.6 | 175.2 | -173.8 | -154.4 | 76.3 | 0 | 0 | 111.4 | A1161 C1164 R1165 N1169 F1170 N1171 L1177 L1206 V1209 | A1161-M1173 HydrophobicContact CB-CG 4.39Å; C1164-M1173 HydrophobicContact CB-CB 4.09Å; R1165-M1173 HydrophobicContact CB-CG 4.34Å; R1165-M1173 HydrophobicContact CB-SD 3.67Å; R1165-M1173 HydrophobicContact CG-SD 3.9Å; N1169-M1173 WeakPolarHBondContact O-CB 3.36Å; F1170-M1173 HydrophobicContact CD1-CE 4.19Å; F1170-M1173 HydrophobicContact CD1-SD 4.38Å; F1170-M1173 PolarHBondContact O-N 3.2Å; N1171-M1173 VanDerWaalsContact C-N 3.28Å; N1171-M1173 PolarHBondContact O-N 3.46Å; M1173-L1177 HydrophobicContact CE-CD1 4.08Å; M1173-L1177 HydrophobicContact CG-CD1 3.84Å; M1173-L1177 WeakPolarHBondContact O-CB 3.48Å; M1173-L1177 WeakPolarHBondContact O-CD1 3.48Å; M1173-L1177 WeakPolarHBondContact O-CG 3.28Å; M1173-L1177 PolarHBondContact O-N 3.49Å; M1173-L1177 HydrophobicContact SD-CD1 4.35Å; M1173-L1206 HydrophobicContact CG-CD2 4.34Å; M1173-L1206 HydrophobicContact SD-CD2 4.05Å; M1173-V1209 HydrophobicContact CE-CB 3.96Å; M1173-V1209 HydrophobicContact CE-CG1 3.78Å |
| 1174 | F | 94.5 | Very high | 92.1 | Very high | 3 Ų | 3 | 17.2 Ų | 17.2 | 1% | 0.013 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.4 | -48.1 | 175.2 | -93.1 | -105.9 | 0 | 0 | 0 | 110.9 | F1170 N1171 L1176 L1177 V1178 V1209 L1210 F1216 Y1219 Y1235 | F1170-F1174 HydrophobicContact CB-CD2 4.36Å; F1170-F1174 WeakPolarHBondContact O-CB 3.32Å; F1170-F1174 VanDerWaalsContact O-CD2 3.3Å; F1170-F1174 WeakPolarHBondContact O-CD2 3.24Å; F1170-F1174 PolarHBondContact O-N 2.77Å; N1171-F1174 PolarHBondContact O-N 3.22Å; F1174-L1176 PolarHBondContact O-N 3.34Å; F1174-L1177 PolarHBondContact O-N 2.97Å; F1174-V1178 WeakPolarHBondContact O-CB 3.47Å; F1174-V1178 VanDerWaalsContact O-CG2 3.3Å; F1174-V1178 WeakPolarHBondContact O-CG2 3.18Å; F1174-V1178 PolarHBondContact O-N 3.44Å; F1174-V1209 HydrophobicContact CE2-CG1 4.08Å; F1174-V1209 HydrophobicContact CZ-CG1 4.39Å; F1174-V1209 WeakPolarHBondContact CZ-O 3.43Å; F1174-L1210 HydrophobicContact CB-CD2 4.42Å; F1174-L1210 HydrophobicContact CD1-CD2 3.3Å; F1174-L1210 HydrophobicContact CD2-CD2 4.26Å; F1174-L1210 HydrophobicContact CE1-CD2 3.45Å; F1174-L1210 VanDerWaalsContact CE1-CD2 3.45Å; F1174-L1210 HydrophobicContact CE2-CD2 4.38Å; F1174-L1210 HydrophobicContact CG-CD2 3.74Å; F1174-L1210 HydrophobicContact CZ-CD2 4Å; F1174-F1216 HydrophobicContact CE1-CD1 4.4Å; F1174-F1216 HydrophobicContact CE1-CE1 4.22Å; F1174-Y1219 AromaticContact CE2-CD2 3.56Å; F1174-Y1219 HydrophobicContact CE2-CD2 3.56Å; F1174-Y1219 AromaticContact CE2-CE2 3.8Å; F1174-Y1219 HydrophobicContact CE2-CE2 3.8Å; F1174-Y1219 HydrophobicContact CE2-CG 4.01Å; F1174-Y1219 HydrophobicContact CZ-CD1 4.28Å; F1174-Y1219 AromaticContact CZ-CD2 3.9Å; F1174-Y1219 HydrophobicContact CZ-CD2 3.9Å; F1174-Y1219 HydrophobicContact CZ-CE2 4.35Å; F1174-Y1219 AromaticContact CZ-CG 3.83Å; F1174-Y1219 HydrophobicContact CZ-CG 3.83Å; F1174-Y1235 HydrophobicContact CB-CD1 4.12Å; F1174-Y1235 HydrophobicContact CB-CD2 3.33Å; F1174-Y1235 HydrophobicContact CB-CE1 4.35Å; F1174-Y1235 HydrophobicContact CB-CE2 3.62Å; F1174-Y1235 HydrophobicContact CB-CG 3.6Å; F1174-Y1235 AromaticContact CD1-CD1 3.39Å; F1174-Y1235 HydrophobicContact CD1-CD1 3.39Å; F1174-Y1235 HydrophobicContact CD1-CD2 4.24Å; F1174-Y1235 AromaticContact CD1-CE1 3.64Å; F1174-Y1235 HydrophobicContact CD1-CE1 3.64Å; F1174-Y1235 HydrophobicContact CD1-CE2 4.45Å; F1174-Y1235 AromaticContact CD1-CG 3.71Å; F1174-Y1235 HydrophobicContact CD1-CG 3.71Å; F1174-Y1235 HydrophobicContact CD2-CG 4.22Å; F1174-Y1235 AromaticContact CE1-CD1 3.9Å; F1174-Y1235 HydrophobicContact CE1-CD1 3.9Å; F1174-Y1235 HydrophobicContact CE1-CE1 4.32Å; F1174-Y1235 HydrophobicContact CE1-CG 4.44Å; F1174-Y1235 AromaticContact CG-CD1 3.81Å; F1174-Y1235 HydrophobicContact CG-CD1 3.81Å; F1174-Y1235 AromaticContact CG-CD2 3.9Å; F1174-Y1235 HydrophobicContact CG-CD2 3.9Å; F1174-Y1235 HydrophobicContact CG-CE1 4.28Å; F1174-Y1235 HydrophobicContact CG-CE2 4.37Å; F1174-Y1235 AromaticContact CG-CG 3.59Å; F1174-Y1235 HydrophobicContact CG-CG 3.59Å |
| 1175 | C | 94.7 | Very high | 92 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -56.4 | -47.5 | 179.7 | -66.4 | 0 | 0 | 0 | 0 | 112.2 | E1133 A1134 N1171 T1172 G1179 | E1133-C1175 HydrophobicContact CB-CB 3.68Å; A1134-C1175 HydrophobicContact CB-CB 4.39Å; N1171-C1175 PolarHBondContact O-N 3.17Å; N1171-C1175 PolarHBondContact O-SG 3Å; T1172-C1175 PolarHBondContact O-N 3.01Å; C1175-G1179 PolarHBondContact O-N 3.4Å |
| 1176 | L | 95.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -64.2 | -42.3 | 177.6 | -71.2 | 175.7 | 0 | 0 | 0 | 112.5 | W1136 A1137 F1157 L1160 A1161 T1172 F1174 L1180 | W1136-L1176 HydrophobicContact CE3-CD2 3.95Å; W1136-L1176 HydrophobicContact CZ3-CD2 4.14Å; A1137-L1176 HydrophobicContact CB-CD2 4.19Å; F1157-L1176 HydrophobicContact CD1-CD2 3.72Å; F1157-L1176 HydrophobicContact CE1-CD2 4.12Å; L1160-L1176 HydrophobicContact CB-CD1 4.09Å; L1160-L1176 HydrophobicContact CD2-CD1 3.8Å; L1160-L1176 HydrophobicContact CG-CD1 3.89Å; A1161-L1176 HydrophobicContact CB-CB 4.19Å; A1161-L1176 HydrophobicContact CB-CD1 4.16Å; T1172-L1176 HydrophobicContact CG2-CD1 3.91Å; T1172-L1176 HydrophobicContact CG2-CG 4.16Å; T1172-L1176 WeakPolarHBondContact O-CB 3.35Å; T1172-L1176 VanDerWaalsContact O-CG 3.24Å; T1172-L1176 WeakPolarHBondContact O-CG 3.45Å; T1172-L1176 PolarHBondContact O-N 3.25Å; F1174-L1176 PolarHBondContact O-N 3.34Å; L1176-L1180 WeakPolarHBondContact O-CG 3.27Å; L1176-L1180 PolarHBondContact O-N 3.38Å; L1176-L1180 VanDerWaalsContact O-N 3.08Å |
| 1177 | L | 93.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -72.6 | -40.2 | -179 | -66 | 166.4 | 0 | 0 | 0 | 112.2 | A1161 M1173 F1174 G1179 L1180 H1181 Y1203 L1206 L1210 | A1161-L1177 HydrophobicContact CB-CD2 4.32Å; A1161-L1177 HydrophobicContact CB-CG 4.3Å; M1173-L1177 HydrophobicContact CE-CD1 4.08Å; M1173-L1177 HydrophobicContact CG-CD1 3.84Å; M1173-L1177 WeakPolarHBondContact O-CB 3.48Å; M1173-L1177 WeakPolarHBondContact O-CD1 3.48Å; M1173-L1177 WeakPolarHBondContact O-CG 3.28Å; M1173-L1177 PolarHBondContact O-N 3.49Å; M1173-L1177 HydrophobicContact SD-CD1 4.35Å; F1174-L1177 PolarHBondContact O-N 2.97Å; L1177-G1179 VanDerWaalsContact C-N 3.32Å; L1177-L1180 PolarHBondContact O-N 2.97Å; L1177-L1180 VanDerWaalsContact O-N 3.14Å; L1177-H1181 PolarHBondContact O-N 3.24Å; L1177-H1181 VanDerWaalsContact O-N 3.11Å; L1177-H1181 PolarHBondContact O-ND1 2.97Å; L1177-Y1203 HydrophobicContact CD2-CD2 4.16Å; L1177-Y1203 HydrophobicContact CD2-CE2 4.1Å; L1177-L1206 HydrophobicContact CD1-CB 3.88Å; L1177-L1206 HydrophobicContact CD2-CB 3.83Å; L1177-L1206 HydrophobicContact CD2-CD1 4.27Å; L1177-L1210 HydrophobicContact CB-CD1 3.68Å; L1177-L1210 HydrophobicContact CB-CD2 4.3Å; L1177-L1210 HydrophobicContact CB-CG 4.22Å; L1177-L1210 HydrophobicContact CD1-CD2 4.33Å; L1177-L1210 HydrophobicContact CD1-CG 4.33Å |
| 1178 | V | 88.4 | Confident | 92 | Very high | 24 Ų | 24 | 14.2 Ų | 14.2 | 15% | 0.145 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -60.5 | -44.5 | 172.7 | 169.9 | 0 | 0 | 0 | 0 | 109.9 | F1174 L1180 H1181 Q1182 L1210 | F1174-V1178 WeakPolarHBondContact O-CB 3.47Å; F1174-V1178 VanDerWaalsContact O-CG2 3.3Å; F1174-V1178 WeakPolarHBondContact O-CG2 3.18Å; F1174-V1178 PolarHBondContact O-N 3.44Å; V1178-L1180 VanDerWaalsContact C-N 3.27Å; V1178-L1180 PolarHBondContact O-N 2.85Å; V1178-H1181 PolarHBondContact O-N 3.31Å; V1178-H1181 VanDerWaalsContact O-N 3.1Å; V1178-Q1182 PolarHBondContact O-N 2.98Å; V1178-L1210 HydrophobicContact CG2-CD1 4.35Å |
| 1179 | G | 89.1 | Confident | 92.1 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -57 | -36.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A1134 P1138 C1175 L1177 Q1182 | A1134-G1179 WeakPolarHBondContact O-CA 3.27Å; P1138-G1179 WeakPolarHBondContact CG-O 3.36Å; C1175-G1179 PolarHBondContact O-N 3.4Å; L1177-G1179 VanDerWaalsContact C-N 3.32Å; G1179-Q1182 PolarHBondContact O-N 3.3Å |
| 1180 | L | 93.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -74.1 | -26.8 | 176.4 | -69.8 | 178.6 | 0 | 0 | 0 | 113.9 | A1137 I1141 L1154 I1158 L1176 L1177 V1178 V1185 Y1203 | A1137-L1180 HydrophobicContact CB-CD2 4.48Å; I1141-L1180 HydrophobicContact CD1-CD2 3.49Å; I1141-L1180 VanDerWaalsContact CD1-CD2 3.49Å; L1154-L1180 HydrophobicContact CD1-CD1 4.2Å; L1154-L1180 HydrophobicContact CD1-CD2 3.53Å; L1154-L1180 HydrophobicContact CD1-CG 4.47Å; I1158-L1180 HydrophobicContact CG1-CD1 3.93Å; L1176-L1180 WeakPolarHBondContact O-CG 3.27Å; L1176-L1180 PolarHBondContact O-N 3.38Å; L1176-L1180 VanDerWaalsContact O-N 3.08Å; L1177-L1180 PolarHBondContact O-N 2.97Å; L1177-L1180 VanDerWaalsContact O-N 3.14Å; V1178-L1180 VanDerWaalsContact C-N 3.27Å; V1178-L1180 PolarHBondContact O-N 2.85Å; L1180-V1185 HydrophobicContact CD2-CG1 4.12Å; L1180-Y1203 HydrophobicContact CB-CE2 3.79Å; L1180-Y1203 HydrophobicContact CD1-CD2 4.16Å; L1180-Y1203 HydrophobicContact CD1-CE2 3.72Å; L1180-Y1203 HydrophobicContact CG-CE2 4.42Å |
| 1181 | H | 87.7 | Confident | 92.2 | Very high | 21 Ų | 21 | 22.8 Ų | 22.8 | 10% | 0.097 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -84 | -3.5 | 173.3 | -67.8 | 94.2 | 0 | 0 | 0 | 113.8 | L1177 V1178 T1183 E1186 Y1203 S1207 | L1177-H1181 PolarHBondContact O-N 3.24Å; L1177-H1181 VanDerWaalsContact O-N 3.11Å; L1177-H1181 PolarHBondContact O-ND1 2.97Å; V1178-H1181 PolarHBondContact O-N 3.31Å; V1178-H1181 VanDerWaalsContact O-N 3.1Å; H1181-T1183 PolarHBondContact O-N 2.82Å; H1181-E1186 IonicContact CD2-OE1 3.42Å; H1181-E1186 PolarHBondContact CD2-OE1 3.24Å; H1181-E1186 IonicContact CG-OE1 3.6Å; H1181-Y1203 PolarHBondContact CD2-OH 2.96Å; H1181-Y1203 AromaticContact CE1-CZ 3.57Å; H1181-Y1203 PolarHBondContact CE1-OH 3.09Å; H1181-Y1203 PolarHBondContact ND1-OH 3.38Å; H1181-Y1203 AromaticContact NE2-CE1 3.95Å; H1181-Y1203 AromaticContact NE2-CZ 3.69Å; H1181-Y1203 PolarHBondContact NE2-OH 3.46Å; H1181-Y1203 VanDerWaalsContact NE2-OH 3.1Å; H1181-S1207 PolarHBondContact CE1-OG 3.47Å |
| 1182 | Q | 85.3 | Confident | 92.2 | Very high | 14 Ų | 14 | 24.5 Ų | 24.5 | 7% | 0.065 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -64.5 | 135.6 | 174.3 | -70.1 | -169.5 | -10.7 | 0 | 0 | 110.6 | Y1135 P1138 V1178 G1179 P1184 V1185 E1186 | Y1135-Q1182 VanDerWaalsContact CE1-NE2 3.25Å; P1138-Q1182 HydrophobicContact CG-CG 4.43Å; V1178-Q1182 PolarHBondContact O-N 2.98Å; G1179-Q1182 PolarHBondContact O-N 3.3Å; Q1182-P1184 VanDerWaalsContact C-N 3.31Å; Q1182-P1184 VanDerWaalsContact O-N 3.12Å; Q1182-V1185 WeakPolarHBondContact O-CA 3.41Å; Q1182-V1185 WeakPolarHBondContact O-CB 3.48Å; Q1182-V1185 PolarHBondContact O-N 3.45Å; Q1182-E1186 PolarHBondContact O-N 2.75Å; Q1182-E1186 VanDerWaalsContact O-N 3.11Å |
| 1183 | T | 86 | Confident | 92.2 | Very high | 58 Ų | 58 | 30.1 Ų | 30.1 | 36% | 0.356 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -50.8 | -37.5 | -175.3 | -48.5 | 0 | 0 | 0 | 0 | 114.7 | H1181 V1185 E1186 R1187 | H1181-T1183 PolarHBondContact O-N 2.82Å; T1183-V1185 PolarHBondContact O-N 2.75Å; T1183-E1186 PolarHBondContact O-N 3.37Å; T1183-R1187 WeakPolarHBondContact O-CB 3.33Å; T1183-R1187 WeakPolarHBondContact O-CG 3.42Å; T1183-R1187 PolarHBondContact O-N 2.89Å; T1183-R1187 VanDerWaalsContact O-N 3.16Å |
| 1184 | P | 88.3 | Confident | 92.2 | Very high | 13 Ų | 13 | 36.8 Ų | 36.8 | 8% | 0.084 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.1 | -24.5 | 172.6 | -26.4 | 37.2 | 0 | 0 | 0 | 115 | Q1182 L1188 L1476 S1480 | Q1182-P1184 VanDerWaalsContact C-N 3.31Å; Q1182-P1184 VanDerWaalsContact O-N 3.12Å; P1184-L1188 WeakPolarHBondContact O-CG 3.44Å; P1184-L1476 HydrophobicContact CB-CB 4.03Å; P1184-L1476 HydrophobicContact CG-CB 3.88Å; P1184-S1480 WeakPolarHBondContact O-CB 3.47Å; P1184-S1480 PolarHBondContact O-OG 3.17Å |
| 1185 | V | 93.1 | Very high | 92.3 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -92.7 | -45.5 | 176.8 | -178.5 | 0 | 0 | 0 | 0 | 111.2 | P1138 I1141 L1180 Q1182 T1183 R1187 L1188 W1192 | P1138-V1185 HydrophobicContact CB-CG2 4.19Å; P1138-V1185 HydrophobicContact CG-CG2 4.4Å; I1141-V1185 HydrophobicContact CD1-CG1 4.15Å; I1141-V1185 HydrophobicContact CG2-CG1 4.33Å; L1180-V1185 HydrophobicContact CD2-CG1 4.12Å; Q1182-V1185 WeakPolarHBondContact O-CA 3.41Å; Q1182-V1185 WeakPolarHBondContact O-CB 3.48Å; Q1182-V1185 PolarHBondContact O-N 3.45Å; T1183-V1185 PolarHBondContact O-N 2.75Å; V1185-R1187 VanDerWaalsContact C-N 3.26Å; V1185-R1187 PolarHBondContact O-N 3.03Å; V1185-L1188 WeakPolarHBondContact O-CB 3.3Å; V1185-L1188 PolarHBondContact O-N 3.38Å; V1185-W1192 HydrophobicContact CG1-CZ2 4.07Å; V1185-W1192 PolarHBondContact O-NE1 3.04Å |
| 1186 | E | 91.5 | Very high | 92.4 | Very high | 51 Ų | 51 | 39.6 Ų | 39.6 | 24% | 0.238 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.6 | -28.9 | -178.7 | -67.1 | -160.8 | 145.7 | 0 | 0 | 114 | H1181 Q1182 T1183 L1188 K1189 | H1181-E1186 IonicContact CD2-OE1 3.42Å; H1181-E1186 PolarHBondContact CD2-OE1 3.24Å; H1181-E1186 IonicContact CG-OE1 3.6Å; Q1182-E1186 PolarHBondContact O-N 2.75Å; Q1182-E1186 VanDerWaalsContact O-N 3.11Å; T1183-E1186 PolarHBondContact O-N 3.37Å; E1186-L1188 PolarHBondContact O-N 2.73Å; E1186-K1189 WeakPolarHBondContact O-CE 3.46Å; E1186-K1189 PolarHBondContact O-NZ 3.3Å |
| 1187 | R | 91.4 | Very high | 92.3 | Very high | 66 Ų | 66 | 45.5 Ų | 45.5 | 25% | 0.249 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -13 | 178.6 | 70.7 | 176.8 | -68.8 | -62.6 | -6.5 | 114.3 | T1183 V1185 K1189 S1480 E1484 | T1183-R1187 WeakPolarHBondContact O-CB 3.33Å; T1183-R1187 WeakPolarHBondContact O-CG 3.42Å; T1183-R1187 PolarHBondContact O-N 2.89Å; T1183-R1187 VanDerWaalsContact O-N 3.16Å; V1185-R1187 VanDerWaalsContact C-N 3.26Å; V1185-R1187 PolarHBondContact O-N 3.03Å; R1187-K1189 PolarHBondContact O-N 2.94Å; R1187-S1480 VanDerWaalsContact CD-OG 3.25Å; R1187-S1480 WeakPolarHBondContact CD-OG 3.49Å; R1187-S1480 VanDerWaalsContact CG-OG 3.27Å; R1187-S1480 WeakPolarHBondContact CG-OG 3.3Å; R1187-S1480 PolarHBondContact NH1-O 3.07Å; R1187-S1480 PolarHBondContact NH1-OG 3.48Å; R1187-E1484 PolarHBondContact NH1-O 2.89Å; R1187-E1484 PolarHBondContact NH2-O 3.02Å |
| 1188 | L | 93.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | trans | -79.3 | 59.8 | -177.3 | -61.6 | 175.2 | 0 | 0 | 0 | 111.4 | I1141 P1184 V1185 E1186 Q1190 T1191 W1192 S1480 E1484 | I1141-L1188 HydrophobicContact CG2-CD1 3.74Å; P1184-L1188 WeakPolarHBondContact O-CG 3.44Å; V1185-L1188 WeakPolarHBondContact O-CB 3.3Å; V1185-L1188 PolarHBondContact O-N 3.38Å; E1186-L1188 PolarHBondContact O-N 2.73Å; L1188-Q1190 VanDerWaalsContact C-N 3.3Å; L1188-Q1190 PolarHBondContact O-N 3.39Å; L1188-T1191 WeakPolarHBondContact O-CA 3.23Å; L1188-T1191 VanDerWaalsContact O-CB 3.23Å; L1188-T1191 WeakPolarHBondContact O-CB 3.34Å; L1188-T1191 PolarHBondContact O-N 2.72Å; L1188-W1192 PolarHBondContact O-N 2.9Å; L1188-S1480 VanDerWaalsContact CD2-OG 3.26Å; L1188-S1480 WeakPolarHBondContact CD2-OG 3.14Å; L1188-E1484 VanDerWaalsContact CA-OE2 3.32Å; L1188-E1484 WeakPolarHBondContact CA-OE2 3.39Å; L1188-E1484 HydrophobicContact CD2-CB 3.86Å; L1188-E1484 HydrophobicContact CD2-CG 4.02Å | ||
| 1189 | K | 93.8 | Very high | 92.8 | Very high | 118 Ų | 118 | 55.1 Ų | 55.1 | 51% | 0.513 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -56.7 | -39.9 | -170.5 | -62.3 | -50.9 | -174.4 | -162.4 | 0 | 112.8 | E1186 R1187 T1191 W1192 D1193 E1484 | E1186-K1189 WeakPolarHBondContact O-CE 3.46Å; E1186-K1189 PolarHBondContact O-NZ 3.3Å; R1187-K1189 PolarHBondContact O-N 2.94Å; K1189-T1191 PolarHBondContact O-N 2.77Å; K1189-W1192 PolarHBondContact O-N 2.76Å; K1189-D1193 WeakPolarHBondContact O-CB 3.4Å; K1189-D1193 PolarHBondContact O-N 2.89Å; K1189-D1193 VanDerWaalsContact O-OD2 3.1Å; K1189-E1484 PolarHBondContact N-OE2 2.79Å |
| 1190 | Q | 93 | Very high | 93.1 | Very high | 107 Ų | 107 | 58.4 Ų | 58.4 | 50% | 0.5 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.8 | -24.4 | 178.1 | -53.6 | -178.3 | 14.9 | 0 | 0 | 112.9 | L1147 L1188 R1194 E1484 | L1147-Q1190 HydrophobicContact CD1-CB 4.19Å; L1147-Q1190 HydrophobicContact CD2-CB 4.28Å; L1188-Q1190 VanDerWaalsContact C-N 3.3Å; L1188-Q1190 PolarHBondContact O-N 3.39Å; Q1190-R1194 WeakPolarHBondContact O-CG 3.27Å; Q1190-E1484 WeakPolarHBondContact CB-OE2 3.4Å; Q1190-E1484 WeakPolarHBondContact CG-OE2 3.06Å; Q1190-E1484 PolarHBondContact N-OE2 2.78Å |
| 1191 | T | 95.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -79 | -40.9 | 174.3 | -54 | 0 | 0 | 0 | 0 | 111.7 | R1150 V1151 L1154 L1188 K1189 L1195 E1484 | R1150-T1191 HydrophobicContact CB-CG2 4.39Å; R1150-T1191 HydrophobicContact CG-CG2 3.95Å; R1150-T1191 PolarHBondContact NE-OG1 3.12Å; R1150-T1191 PolarHBondContact NH2-OG1 3.33Å; V1151-T1191 HydrophobicContact CG2-CG2 3.91Å; V1151-T1191 WeakPolarHBondContact CG2-O 3.2Å; L1154-T1191 HydrophobicContact CD2-CG2 4.07Å; L1188-T1191 WeakPolarHBondContact O-CA 3.23Å; L1188-T1191 VanDerWaalsContact O-CB 3.23Å; L1188-T1191 WeakPolarHBondContact O-CB 3.34Å; L1188-T1191 PolarHBondContact O-N 2.72Å; K1189-T1191 PolarHBondContact O-N 2.77Å; T1191-L1195 PolarHBondContact O-N 2.96Å; T1191-E1484 PolarHBondContact N-OE1 2.95Å; T1191-E1484 PolarHBondContact OG1-OE1 3.36Å |
| 1192 | W | 96 | Very high | 93.6 | Very high | 35 Ų | 35 | 63.3 Ų | 63.3 | 13% | 0.133 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -73.1 | -41 | 178 | -71.9 | 101 | 0 | 0 | 0 | 112.7 | L1154 V1185 L1188 K1189 R1194 L1195 Q1200 Y1203 | L1154-W1192 HydrophobicContact CD1-CH2 3.82Å; L1154-W1192 HydrophobicContact CD1-CZ2 4.08Å; L1154-W1192 HydrophobicContact CD1-CZ3 4.18Å; L1154-W1192 HydrophobicContact CD2-CD2 3.95Å; L1154-W1192 HydrophobicContact CD2-CE3 3.88Å; L1154-W1192 HydrophobicContact CD2-CH2 4.33Å; L1154-W1192 HydrophobicContact CD2-CZ2 4.38Å; L1154-W1192 HydrophobicContact CD2-CZ3 4.08Å; V1185-W1192 HydrophobicContact CG1-CZ2 4.07Å; V1185-W1192 PolarHBondContact O-NE1 3.04Å; L1188-W1192 PolarHBondContact O-N 2.9Å; K1189-W1192 PolarHBondContact O-N 2.76Å; W1192-R1194 PolarHBondContact O-N 3.47Å; W1192-R1194 VanDerWaalsContact O-N 3.15Å; W1192-L1195 HydrophobicContact CE3-CD2 3.97Å; W1192-L1195 HydrophobicContact CZ3-CD2 4Å; W1192-L1195 VanDerWaalsContact O-CB 3.26Å; W1192-L1195 WeakPolarHBondContact O-CB 3.36Å; W1192-L1195 PolarHBondContact O-N 2.96Å; W1192-Q1200 PolarHBondContact O-NE2 3.2Å; W1192-Y1203 HydrophobicContact CH2-CD1 4.33Å; W1192-Y1203 HydrophobicContact CH2-CD2 4.41Å; W1192-Y1203 AromaticContact CH2-CE1 3.87Å; W1192-Y1203 HydrophobicContact CH2-CE1 3.87Å; W1192-Y1203 AromaticContact CH2-CE2 3.94Å; W1192-Y1203 HydrophobicContact CH2-CE2 3.94Å; W1192-Y1203 AromaticContact CH2-CZ 3.63Å; W1192-Y1203 HydrophobicContact CZ3-CD1 4.06Å; W1192-Y1203 HydrophobicContact CZ3-CE1 4Å; W1192-Y1203 HydrophobicContact CZ3-CE2 4.49Å; W1192-Y1203 HydrophobicContact CZ3-CG 4.34Å |
| 1193 | D | 94.6 | Very high | 94.1 | Very high | 119 Ų | 119 | 63.8 Ų | 63.8 | 64% | 0.636 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -23.3 | 177 | -53.8 | -19.3 | 0 | 0 | 0 | 112 | K1189 | K1189-D1193 WeakPolarHBondContact O-CB 3.4Å; K1189-D1193 PolarHBondContact O-N 2.89Å; K1189-D1193 VanDerWaalsContact O-OD2 3.1Å |
| 1194 | R | 96 | Very high | 94.3 | Very high | 140 Ų | 140 | 66.1 Ų | 66.1 | 53% | 0.528 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 3.9 | 177.3 | -70.9 | -175.7 | 177 | -151.5 | -2.7 | 114.2 | N1148 V1151 Q1190 W1192 P1196 | N1148-R1194 PolarHBondContact OD1-NH1 3.31Å; V1151-R1194 WeakPolarHBondContact CG1-O 3.33Å; V1151-R1194 HydrophobicContact CG2-CB 3.75Å; Q1190-R1194 WeakPolarHBondContact O-CG 3.27Å; W1192-R1194 PolarHBondContact O-N 3.47Å; W1192-R1194 VanDerWaalsContact O-N 3.15Å; R1194-P1196 WeakPolarHBondContact O-CD 3.43Å |
| 1195 | L | 96.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 69.2 Ų | 69.2 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -81.3 | 116.1 | 174.7 | -176.7 | 67.4 | 0 | 0 | 0 | 109.3 | L1154 K1155 I1158 T1191 W1192 Y1199 Q1200 | L1154-L1195 HydrophobicContact CD2-CB 4.47Å; L1154-L1195 HydrophobicContact CD2-CD1 4.29Å; L1154-L1195 HydrophobicContact CD2-CD2 4.06Å; L1154-L1195 HydrophobicContact CG-CD1 4.19Å; L1154-L1195 HydrophobicContact CG-CD2 4.28Å; K1155-L1195 HydrophobicContact CB-CD1 4.48Å; K1155-L1195 HydrophobicContact CG-CD1 3.53Å; I1158-L1195 HydrophobicContact CD1-CD1 4.23Å; I1158-L1195 HydrophobicContact CD1-CD2 3.54Å; T1191-L1195 PolarHBondContact O-N 2.96Å; W1192-L1195 HydrophobicContact CE3-CD2 3.97Å; W1192-L1195 HydrophobicContact CZ3-CD2 4Å; W1192-L1195 VanDerWaalsContact O-CB 3.26Å; W1192-L1195 WeakPolarHBondContact O-CB 3.36Å; W1192-L1195 PolarHBondContact O-N 2.96Å; L1195-Y1199 HydrophobicContact CD1-CG 4.39Å; L1195-Q1200 HydrophobicContact CB-CG 4.27Å; L1195-Q1200 HydrophobicContact CD2-CG 3.91Å; L1195-Q1200 HydrophobicContact CG-CG 4.11Å; L1195-Q1200 PolarHBondContact O-NE2 2.97Å; L1195-Q1200 VanDerWaalsContact O-NE2 3.13Å |
| 1196 | P | 96.7 | Very high | 94.4 | Very high | 59 Ų | 59 | 69.3 Ų | 69.3 | 38% | 0.383 | 32% | 0.316 | S | S | . | . | trans | -60.8 | 141.3 | -176 | -23.8 | 34.2 | 0 | 0 | 0 | 112.3 | R1194 K1198 Y1199 Q1200 | R1194-P1196 WeakPolarHBondContact O-CD 3.43Å; P1196-K1198 PolarHBondContact O-N 3.12Å; P1196-Y1199 PolarHBondContact O-N 2.83Å; P1196-Q1200 PolarHBondContact O-N 3.44Å | ||
| 1197 | N | 94.2 | Very high | 94.2 | Very high | 125 Ų | 125 | 67.8 Ų | 67.8 | 67% | 0.668 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -51.1 | -33.2 | -168.7 | -51.9 | 13.9 | 0 | 0 | 0 | 113.2 | Y1199 Q1200 K1201 | N1197-Y1199 VanDerWaalsContact C-N 3.3Å; N1197-Y1199 PolarHBondContact O-N 2.96Å; N1197-Q1200 PolarHBondContact O-N 3.16Å; N1197-K1201 PolarHBondContact O-N 3.37Å |
| 1198 | K | 96.3 | Very high | 93.8 | Very high | 160 Ų | 160 | 68.8 Ų | 68.8 | 70% | 0.696 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -54.9 | -38.5 | 172.2 | 179 | 168.5 | -175.8 | 161.7 | 0 | 114.1 | P1196 I1202 | P1196-K1198 PolarHBondContact O-N 3.12Å; K1198-I1202 HydrophobicContact CG-CD1 4.44Å; K1198-I1202 WeakPolarHBondContact O-CD1 3.1Å; K1198-I1202 VanDerWaalsContact O-CG1 3.27Å; K1198-I1202 WeakPolarHBondContact O-CG1 3.37Å; K1198-I1202 PolarHBondContact O-N 2.8Å |
| 1199 | Y | 96.9 | Very high | 93.4 | Very high | 66 Ų | 66 | 68.9 Ų | 68.9 | 26% | 0.259 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -83.7 | -30.7 | 176.9 | -69.9 | -84.6 | 0 | 0 | 0 | 112.1 | K1155 I1158 L1195 P1196 N1197 Y1203 | K1155-Y1199 HydrophobicContact CB-CD1 4.23Å; K1155-Y1199 HydrophobicContact CB-CE1 4.16Å; K1155-Y1199 HydrophobicContact CB-CG 4.46Å; K1155-Y1199 HydrophobicContact CD-CD2 4.46Å; K1155-Y1199 HydrophobicContact CD-CE2 4.29Å; K1155-Y1199 HydrophobicContact CG-CD1 4.4Å; K1155-Y1199 HydrophobicContact CG-CD2 4.01Å; K1155-Y1199 HydrophobicContact CG-CE2 4.17Å; K1155-Y1199 HydrophobicContact CG-CG 4.13Å; I1158-Y1199 HydrophobicContact CG2-CD1 4.43Å; L1195-Y1199 HydrophobicContact CD1-CG 4.39Å; P1196-Y1199 PolarHBondContact O-N 2.83Å; N1197-Y1199 VanDerWaalsContact C-N 3.3Å; N1197-Y1199 PolarHBondContact O-N 2.96Å; Y1199-Y1203 WeakPolarHBondContact O-CB 3.31Å; Y1199-Y1203 PolarHBondContact O-N 2.75Å |
| 1200 | Q | 94.8 | Very high | 92.7 | Very high | 68 Ų | 68 | 63.5 Ų | 63.5 | 32% | 0.318 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 169.9 | -64.8 | 176 | -13.8 | 0 | 0 | 111.2 | W1192 L1195 P1196 N1197 Y1203 R1204 | W1192-Q1200 PolarHBondContact O-NE2 3.2Å; L1195-Q1200 HydrophobicContact CB-CG 4.27Å; L1195-Q1200 HydrophobicContact CD2-CG 3.91Å; L1195-Q1200 HydrophobicContact CG-CG 4.11Å; L1195-Q1200 PolarHBondContact O-NE2 2.97Å; L1195-Q1200 VanDerWaalsContact O-NE2 3.13Å; P1196-Q1200 PolarHBondContact O-N 3.44Å; N1197-Q1200 PolarHBondContact O-N 3.16Å; Q1200-Y1203 WeakPolarHBondContact O-CB 3.25Å; Q1200-Y1203 PolarHBondContact O-N 3.22Å; Q1200-Y1203 VanDerWaalsContact O-N 3.13Å; Q1200-R1204 PolarHBondContact O-N 2.92Å |
| 1201 | K | 95.3 | Very high | 91.9 | Very high | 95 Ų | 95 | 60 Ų | 60 | 41% | 0.413 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.2 | -49.6 | 175.2 | -163.7 | 160.6 | -170.5 | 165.4 | 0 | 111.4 | D300 N1197 Y1203 R1204 D1205 | D300-K1201 IonicContact OD2-NZ 3.09Å; D300-K1201 PolarHBondContact OD2-NZ 2.84Å; N1197-K1201 PolarHBondContact O-N 3.37Å; K1201-Y1203 PolarHBondContact O-N 2.92Å; K1201-R1204 PolarHBondContact O-N 2.63Å; K1201-R1204 VanDerWaalsContact O-N 3.07Å; K1201-D1205 PolarHBondContact O-N 3.32Å |
| 1202 | I | 96.2 | Very high | 90.9 | Very high | 30 Ų | 30 | 61 Ų | 61 | 15% | 0.154 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.4 | -34 | 174.3 | -65.6 | 165.5 | 0 | 0 | 0 | 112.3 | I1158 K1162 K1198 L1206 | I1158-I1202 HydrophobicContact CG2-CB 4.17Å; I1158-I1202 HydrophobicContact CG2-CG2 3.72Å; K1162-I1202 HydrophobicContact CB-CG2 4.27Å; K1162-I1202 HydrophobicContact CD-CG2 4.05Å; K1198-I1202 HydrophobicContact CG-CD1 4.44Å; K1198-I1202 WeakPolarHBondContact O-CD1 3.1Å; K1198-I1202 VanDerWaalsContact O-CG1 3.27Å; K1198-I1202 WeakPolarHBondContact O-CG1 3.37Å; K1198-I1202 PolarHBondContact O-N 2.8Å; I1202-L1206 HydrophobicContact CG2-CD1 3.97Å; I1202-L1206 WeakPolarHBondContact O-CB 3.48Å; I1202-L1206 WeakPolarHBondContact O-CD1 3.47Å; I1202-L1206 VanDerWaalsContact O-CG 3.22Å; I1202-L1206 WeakPolarHBondContact O-CG 3.35Å; I1202-L1206 PolarHBondContact O-N 3.16Å |
| 1203 | Y | 95 | Very high | 89.5 | Confident | 24 Ų | 24 | 61.4 Ų | 61.4 | 9% | 0.094 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.4 | -44 | 175 | -176.3 | -107.1 | 0 | 0 | 0 | 112 | I1158 L1177 L1180 H1181 W1192 Y1199 Q1200 K1201 L1206 S1207 | I1158-Y1203 HydrophobicContact CD1-CD2 4.29Å; I1158-Y1203 HydrophobicContact CG1-CD2 4.04Å; L1177-Y1203 HydrophobicContact CD2-CD2 4.16Å; L1177-Y1203 HydrophobicContact CD2-CE2 4.1Å; L1180-Y1203 HydrophobicContact CB-CE2 3.79Å; L1180-Y1203 HydrophobicContact CD1-CD2 4.16Å; L1180-Y1203 HydrophobicContact CD1-CE2 3.72Å; L1180-Y1203 HydrophobicContact CG-CE2 4.42Å; H1181-Y1203 PolarHBondContact CD2-OH 2.96Å; H1181-Y1203 AromaticContact CE1-CZ 3.57Å; H1181-Y1203 PolarHBondContact CE1-OH 3.09Å; H1181-Y1203 PolarHBondContact ND1-OH 3.38Å; H1181-Y1203 AromaticContact NE2-CE1 3.95Å; H1181-Y1203 AromaticContact NE2-CZ 3.69Å; H1181-Y1203 PolarHBondContact NE2-OH 3.46Å; H1181-Y1203 VanDerWaalsContact NE2-OH 3.1Å; W1192-Y1203 HydrophobicContact CH2-CD1 4.33Å; W1192-Y1203 HydrophobicContact CH2-CD2 4.41Å; W1192-Y1203 AromaticContact CH2-CE1 3.87Å; W1192-Y1203 HydrophobicContact CH2-CE1 3.87Å; W1192-Y1203 AromaticContact CH2-CE2 3.94Å; W1192-Y1203 HydrophobicContact CH2-CE2 3.94Å; W1192-Y1203 AromaticContact CH2-CZ 3.63Å; W1192-Y1203 HydrophobicContact CZ3-CD1 4.06Å; W1192-Y1203 HydrophobicContact CZ3-CE1 4Å; W1192-Y1203 HydrophobicContact CZ3-CE2 4.49Å; W1192-Y1203 HydrophobicContact CZ3-CG 4.34Å; Y1199-Y1203 WeakPolarHBondContact O-CB 3.31Å; Y1199-Y1203 PolarHBondContact O-N 2.75Å; Q1200-Y1203 WeakPolarHBondContact O-CB 3.25Å; Q1200-Y1203 PolarHBondContact O-N 3.22Å; Q1200-Y1203 VanDerWaalsContact O-N 3.13Å; K1201-Y1203 PolarHBondContact O-N 2.92Å; Y1203-L1206 PolarHBondContact O-N 3.48Å; Y1203-S1207 WeakPolarHBondContact O-CB 3.26Å; Y1203-S1207 PolarHBondContact O-N 3.33Å; Y1203-S1207 PolarHBondContact O-OG 3.46Å |
| 1204 | R | 91.1 | Very high | 88.2 | Confident | 106 Ų | 106 | 58.8 Ų | 58.8 | 40% | 0.4 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.5 | -51.5 | 172.2 | -67.7 | -158.5 | -83.4 | -152.8 | 0.1 | 111.5 | E301 Q1200 K1201 L1206 S1207 M1208 | E301-R1204 IonicContact OE1-CZ 2.68Å; E301-R1204 VanDerWaalsContact OE1-CZ 3.23Å; E301-R1204 IonicContact OE1-NH1 3.96Å; E301-R1204 PolarHBondContact OE1-NH1 2.71Å; E301-R1204 IonicContact OE1-NH2 2.7Å; E301-R1204 PolarHBondContact OE1-NH2 3.06Å; Q1200-R1204 PolarHBondContact O-N 2.92Å; K1201-R1204 PolarHBondContact O-N 2.63Å; K1201-R1204 VanDerWaalsContact O-N 3.07Å; R1204-L1206 PolarHBondContact O-N 2.57Å; R1204-S1207 PolarHBondContact O-N 3.27Å; R1204-M1208 PolarHBondContact O-N 2.84Å; R1204-M1208 VanDerWaalsContact O-N 3.09Å |
| 1205 | D | 90 | Very high | 87.2 | Confident | 79 Ų | 79 | 55.4 Ų | 55.4 | 42% | 0.422 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -55.2 | -28.4 | 178.6 | -57.5 | -25 | 0 | 0 | 0 | 113.5 | R1165 K1201 | R1165-D1205 PolarHBondContact NH1-O 3.42Å; K1201-D1205 PolarHBondContact O-N 3.32Å |
| 1206 | L | 92.8 | Very high | 86.4 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -87 | -41.2 | 176 | -76.7 | 170.4 | 0 | 0 | 0 | 112.5 | A1161 K1162 R1165 M1173 L1177 I1202 Y1203 R1204 M1208 V1209 | A1161-L1206 HydrophobicContact CB-CD1 4.04Å; K1162-L1206 HydrophobicContact CB-CD1 4.19Å; R1165-L1206 HydrophobicContact CB-CD2 4.27Å; M1173-L1206 HydrophobicContact CG-CD2 4.34Å; M1173-L1206 HydrophobicContact SD-CD2 4.05Å; L1177-L1206 HydrophobicContact CD1-CB 3.88Å; L1177-L1206 HydrophobicContact CD2-CB 3.83Å; L1177-L1206 HydrophobicContact CD2-CD1 4.27Å; I1202-L1206 HydrophobicContact CG2-CD1 3.97Å; I1202-L1206 WeakPolarHBondContact O-CB 3.48Å; I1202-L1206 WeakPolarHBondContact O-CD1 3.47Å; I1202-L1206 VanDerWaalsContact O-CG 3.22Å; I1202-L1206 WeakPolarHBondContact O-CG 3.35Å; I1202-L1206 PolarHBondContact O-N 3.16Å; Y1203-L1206 PolarHBondContact O-N 3.48Å; R1204-L1206 PolarHBondContact O-N 2.57Å; L1206-M1208 VanDerWaalsContact C-N 3.25Å; L1206-M1208 PolarHBondContact O-N 2.74Å; L1206-V1209 WeakPolarHBondContact O-CB 3.25Å; L1206-V1209 PolarHBondContact O-N 2.93Å |
| 1207 | S | 87.7 | Confident | 85.5 | Confident | 19 Ų | 19 | 56.3 Ų | 56.3 | 13% | 0.133 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.2 | -26.6 | -178.3 | -56.4 | 0 | 0 | 0 | 0 | 112.5 | H1181 Y1203 R1204 V1209 L1210 | H1181-S1207 PolarHBondContact CE1-OG 3.47Å; Y1203-S1207 WeakPolarHBondContact O-CB 3.26Å; Y1203-S1207 PolarHBondContact O-N 3.33Å; Y1203-S1207 PolarHBondContact O-OG 3.46Å; R1204-S1207 PolarHBondContact O-N 3.27Å; S1207-V1209 PolarHBondContact O-N 2.55Å; S1207-V1209 VanDerWaalsContact O-N 3.09Å; S1207-L1210 WeakPolarHBondContact O-CA 3.4Å; S1207-L1210 WeakPolarHBondContact O-CB 3.26Å; S1207-L1210 PolarHBondContact O-N 2.94Å |
| 1208 | M | 83.6 | Confident | 84.8 | Confident | 88 Ų | 88 | 53.5 Ų | 53.5 | 43% | 0.433 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -54.3 | -25.3 | 167.9 | -67.7 | -171.6 | 82.4 | 0 | 0 | 113.9 | R1204 L1206 L1210 D1211 H1218 | R1204-M1208 PolarHBondContact O-N 2.84Å; R1204-M1208 VanDerWaalsContact O-N 3.09Å; L1206-M1208 VanDerWaalsContact C-N 3.25Å; L1206-M1208 PolarHBondContact O-N 2.74Å; M1208-L1210 VanDerWaalsContact C-N 3.31Å; M1208-D1211 WeakPolarHBondContact O-CB 3.18Å; M1208-D1211 PolarHBondContact O-N 3.45Å; M1208-H1218 WeakPolarHBondContact O-CB 3.44Å |
| 1209 | V | 84 | Confident | 84.4 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -79.7 | -17.7 | 177.4 | -167.6 | 0 | 0 | 0 | 0 | 111.8 | M1173 F1174 L1206 S1207 Y1219 L1222 | M1173-V1209 HydrophobicContact CE-CB 3.96Å; M1173-V1209 HydrophobicContact CE-CG1 3.78Å; F1174-V1209 HydrophobicContact CE2-CG1 4.08Å; F1174-V1209 HydrophobicContact CZ-CG1 4.39Å; F1174-V1209 WeakPolarHBondContact CZ-O 3.43Å; L1206-V1209 WeakPolarHBondContact O-CB 3.25Å; L1206-V1209 PolarHBondContact O-N 2.93Å; S1207-V1209 PolarHBondContact O-N 2.55Å; S1207-V1209 VanDerWaalsContact O-N 3.09Å; V1209-Y1219 HydrophobicContact CG1-CD2 4.15Å; V1209-L1222 HydrophobicContact CG1-CD1 3.88Å; V1209-L1222 HydrophobicContact CG2-CD1 3.9Å |
| 1210 | L | 80.4 | Confident | 83.9 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -84.7 | -7.8 | 171 | -55.1 | -170 | 0 | 0 | 0 | 113.3 | F1174 L1177 V1178 S1207 M1208 T1212 L1627 | F1174-L1210 HydrophobicContact CB-CD2 4.42Å; F1174-L1210 HydrophobicContact CD1-CD2 3.3Å; F1174-L1210 HydrophobicContact CD2-CD2 4.26Å; F1174-L1210 HydrophobicContact CE1-CD2 3.45Å; F1174-L1210 VanDerWaalsContact CE1-CD2 3.45Å; F1174-L1210 HydrophobicContact CE2-CD2 4.38Å; F1174-L1210 HydrophobicContact CG-CD2 3.74Å; F1174-L1210 HydrophobicContact CZ-CD2 4Å; L1177-L1210 HydrophobicContact CB-CD1 3.68Å; L1177-L1210 HydrophobicContact CB-CD2 4.3Å; L1177-L1210 HydrophobicContact CB-CG 4.22Å; L1177-L1210 HydrophobicContact CD1-CD2 4.33Å; L1177-L1210 HydrophobicContact CD1-CG 4.33Å; V1178-L1210 HydrophobicContact CG2-CD1 4.35Å; S1207-L1210 WeakPolarHBondContact O-CA 3.4Å; S1207-L1210 WeakPolarHBondContact O-CB 3.26Å; S1207-L1210 PolarHBondContact O-N 2.94Å; M1208-L1210 VanDerWaalsContact C-N 3.31Å; L1210-T1212 VanDerWaalsContact O-CG2 3.3Å; L1210-T1212 WeakPolarHBondContact O-CG2 3.37Å; L1210-T1212 PolarHBondContact O-N 3.1Å; L1210-L1627 HydrophobicContact CB-CD1 3.54Å; L1210-L1627 HydrophobicContact CD1-CD1 4.01Å; L1210-L1627 HydrophobicContact CG-CD1 4.46Å |
| 1211 | D | 75.8 | Confident | 83.3 | Confident | 34 Ų | 34 | 46.3 Ų | 46.3 | 18% | 0.182 | 23% | 0.225 | C | C | . | . | trans | -52.8 | 124.9 | 176.8 | 167.6 | 37.4 | 0 | 0 | 0 | 110.4 | M1208 S1213 F1216 H1218 | M1208-D1211 WeakPolarHBondContact O-CB 3.18Å; M1208-D1211 PolarHBondContact O-N 3.45Å; D1211-S1213 WeakPolarHBondContact OD1-CB 3.41Å; D1211-S1213 PolarHBondContact OD1-N 3.34Å; D1211-S1213 PolarHBondContact OD1-OG 3.01Å; D1211-S1213 PolarHBondContact OD2-OG 2.9Å; D1211-F1216 WeakPolarHBondContact O-CA 3.39Å; D1211-H1218 IonicContact OD2-CE1 3.54Å; D1211-H1218 PolarHBondContact OD2-CE1 2.93Å; D1211-H1218 IonicContact OD2-ND1 2.69Å; D1211-H1218 PolarHBondContact OD2-ND1 2.92Å | ||
| 1212 | T | 75.3 | Confident | 82.8 | Confident | 22 Ų | 22 | 44.5 Ų | 44.5 | 14% | 0.135 | 22% | 0.219 | C | C | . | . | trans | -96.1 | -5.1 | -175.6 | 65.1 | 0 | 0 | 0 | 0 | 113.1 | L1210 N1215 F1216 A1624 | L1210-T1212 VanDerWaalsContact O-CG2 3.3Å; L1210-T1212 WeakPolarHBondContact O-CG2 3.37Å; L1210-T1212 PolarHBondContact O-N 3.1Å; T1212-N1215 PolarHBondContact O-N 3.1Å; T1212-F1216 HydrophobicContact CG2-CD1 3.92Å; T1212-F1216 HydrophobicContact CG2-CE1 3.36Å; T1212-F1216 HydrophobicContact CG2-CE2 4.03Å; T1212-F1216 HydrophobicContact CG2-CG 4.49Å; T1212-F1216 HydrophobicContact CG2-CZ 3.43Å; T1212-F1216 VanDerWaalsContact CG2-CZ 3.43Å; T1212-F1216 PolarHBondContact O-N 3.32Å; T1212-A1624 HydrophobicContact CG2-CB 3.37Å; T1212-A1624 VanDerWaalsContact CG2-O 3.3Å; T1212-A1624 WeakPolarHBondContact CG2-O 3.42Å; T1212-A1624 PolarHBondContact OG1-O 3.34Å | ||
| 1213 | S | 67.2 | Low | 82.2 | Confident | 43 Ų | 43 | 45 Ų | 45 | 30% | 0.301 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -52.2 | 140.9 | 175.2 | 87 | 0 | 0 | 0 | 0 | 111 | D1211 N1215 F1216 H1217 | D1211-S1213 WeakPolarHBondContact OD1-CB 3.41Å; D1211-S1213 PolarHBondContact OD1-N 3.34Å; D1211-S1213 PolarHBondContact OD1-OG 3.01Å; D1211-S1213 PolarHBondContact OD2-OG 2.9Å; S1213-N1215 PolarHBondContact O-N 3.32Å; S1213-N1215 VanDerWaalsContact O-N 3.11Å; S1213-F1216 PolarHBondContact O-N 3.41Å; S1213-H1217 PolarHBondContact O-N 3.19Å |
| 1214 | R | 65.4 | Low | 81.3 | Confident | 65 Ų | 65 | 48.3 Ų | 48.3 | 25% | 0.245 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | 50.2 | 39.2 | -178.4 | -52.6 | 179.8 | -170.3 | -152.6 | 2 | 112.9 | H308 H1217 | H308-R1214 PolarHBondContact CD2-NH2 3.48Å; H308-R1214 PolarHBondContact NE2-NH2 3.44Å; R1214-H1217 HydrophobicContact CB-CB 3.92Å |
| 1215 | N | 75.6 | Confident | 80.6 | Confident | 69 Ų | 69 | 45.3 Ų | 45.3 | 37% | 0.369 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | 57.8 | 59.3 | -176.7 | -172.4 | 22 | 0 | 0 | 0 | 113.6 | T1212 S1213 R1220 | T1212-N1215 PolarHBondContact O-N 3.1Å; S1213-N1215 PolarHBondContact O-N 3.32Å; S1213-N1215 VanDerWaalsContact O-N 3.11Å; N1215-R1220 PolarHBondContact ND2-NH2 3.43Å; N1215-R1220 VanDerWaalsContact ND2-NH2 3.15Å; N1215-R1220 WeakPolarHBondContact O-CD 3.45Å; N1215-R1220 PolarHBondContact O-NE 2.88Å; N1215-R1220 PolarHBondContact OD1-NH2 3Å; N1215-R1220 VanDerWaalsContact OD1-NH2 3.15Å |
| 1216 | F | 80.6 | Confident | 79 | Confident | 21 Ų | 21 | 49.1 Ų | 49.1 | 9% | 0.092 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | 60.8 | 42.1 | 179.6 | -60.7 | -96.5 | 0 | 0 | 0 | 113.9 | F1174 D1211 T1212 S1213 H1218 Y1219 R1220 L1238 A1624 | F1174-F1216 HydrophobicContact CE1-CD1 4.4Å; F1174-F1216 HydrophobicContact CE1-CE1 4.22Å; D1211-F1216 WeakPolarHBondContact O-CA 3.39Å; T1212-F1216 HydrophobicContact CG2-CD1 3.92Å; T1212-F1216 HydrophobicContact CG2-CE1 3.36Å; T1212-F1216 HydrophobicContact CG2-CE2 4.03Å; T1212-F1216 HydrophobicContact CG2-CG 4.49Å; T1212-F1216 HydrophobicContact CG2-CZ 3.43Å; T1212-F1216 VanDerWaalsContact CG2-CZ 3.43Å; T1212-F1216 PolarHBondContact O-N 3.32Å; S1213-F1216 PolarHBondContact O-N 3.41Å; F1216-H1218 VanDerWaalsContact C-N 3.32Å; F1216-H1218 PolarHBondContact O-N 2.89Å; F1216-Y1219 HydrophobicContact CB-CD1 4.49Å; F1216-Y1219 PolarHBondContact O-N 2.86Å; F1216-Y1219 VanDerWaalsContact O-N 3.15Å; F1216-R1220 WeakPolarHBondContact O-CG 3.47Å; F1216-R1220 PolarHBondContact O-N 2.83Å; F1216-L1238 HydrophobicContact CB-CD2 3.91Å; F1216-L1238 HydrophobicContact CD1-CD2 4.05Å; F1216-L1238 HydrophobicContact CD2-CD1 3.62Å; F1216-L1238 HydrophobicContact CD2-CD2 3.64Å; F1216-L1238 HydrophobicContact CD2-CG 4.32Å; F1216-L1238 HydrophobicContact CE1-CD2 4.42Å; F1216-L1238 HydrophobicContact CE2-CD1 3.61Å; F1216-L1238 HydrophobicContact CE2-CD2 4.07Å; F1216-L1238 HydrophobicContact CE2-CG 4.47Å; F1216-L1238 HydrophobicContact CG-CD1 4.46Å; F1216-L1238 HydrophobicContact CG-CD2 3.63Å; F1216-L1238 HydrophobicContact CZ-CD1 4.42Å; F1216-L1238 HydrophobicContact CZ-CD2 4.42Å; F1216-A1624 HydrophobicContact CZ-CB 4.36Å |
| 1217 | H | 77.4 | Confident | 77.5 | Confident | 58 Ų | 58 | 55.1 Ų | 55.1 | 27% | 0.269 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -54.7 | -44.8 | -174.8 | 176.4 | 99.2 | 0 | 0 | 0 | 112.6 | E336 S1213 R1214 Y1219 R1220 T1221 | E336-H1217 IonicContact OE1-CE1 2.67Å; E336-H1217 IonicContact OE1-ND1 3.42Å; S1213-H1217 PolarHBondContact O-N 3.19Å; R1214-H1217 HydrophobicContact CB-CB 3.92Å; H1217-Y1219 VanDerWaalsContact C-N 3.35Å; H1217-Y1219 PolarHBondContact O-N 2.86Å; H1217-R1220 PolarHBondContact O-N 2.86Å; H1217-T1221 PolarHBondContact NE2-OG1 3.03Å; H1217-T1221 WeakPolarHBondContact O-CB 3.23Å; H1217-T1221 PolarHBondContact O-N 3.27Å; H1217-T1221 PolarHBondContact O-OG1 3.39Å; H1217-T1221 VanDerWaalsContact O-OG1 3.13Å |
| 1218 | H | 80.6 | Confident | 76.5 | Confident | 67 Ų | 67 | 55.9 Ų | 55.9 | 31% | 0.31 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56.7 | -43.8 | 178.6 | -74 | 107.7 | 0 | 0 | 0 | 113.2 | M1208 D1211 F1216 L1222 | M1208-H1218 WeakPolarHBondContact O-CB 3.44Å; D1211-H1218 IonicContact OD2-CE1 3.54Å; D1211-H1218 PolarHBondContact OD2-CE1 2.93Å; D1211-H1218 IonicContact OD2-ND1 2.69Å; D1211-H1218 PolarHBondContact OD2-ND1 2.92Å; F1216-H1218 VanDerWaalsContact C-N 3.32Å; F1216-H1218 PolarHBondContact O-N 2.89Å; H1218-L1222 WeakPolarHBondContact O-CG 3.49Å; H1218-L1222 PolarHBondContact O-N 3.04Å |
| 1219 | Y | 87.5 | Confident | 76 | Confident | 5 Ų | 5 | 55.8 Ų | 55.8 | 2% | 0.02 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.5 | -44.7 | 175.5 | 168.3 | -113.9 | 0 | 0 | 0 | 112.6 | F1170 F1174 V1209 F1216 H1217 T1221 L1222 L1223 P1234 Y1235 L1238 | F1170-Y1219 HydrophobicContact CB-CE2 3.75Å; F1170-Y1219 HydrophobicContact CD1-CD2 4.25Å; F1170-Y1219 HydrophobicContact CD1-CE2 4.03Å; F1170-Y1219 HydrophobicContact CD2-CE2 4.32Å; F1170-Y1219 HydrophobicContact CG-CD2 4.45Å; F1170-Y1219 AromaticContact CG-CE2 3.78Å; F1170-Y1219 HydrophobicContact CG-CE2 3.78Å; F1174-Y1219 AromaticContact CE2-CD2 3.56Å; F1174-Y1219 HydrophobicContact CE2-CD2 3.56Å; F1174-Y1219 AromaticContact CE2-CE2 3.8Å; F1174-Y1219 HydrophobicContact CE2-CE2 3.8Å; F1174-Y1219 HydrophobicContact CE2-CG 4.01Å; F1174-Y1219 HydrophobicContact CZ-CD1 4.28Å; F1174-Y1219 AromaticContact CZ-CD2 3.9Å; F1174-Y1219 HydrophobicContact CZ-CD2 3.9Å; F1174-Y1219 HydrophobicContact CZ-CE2 4.35Å; F1174-Y1219 AromaticContact CZ-CG 3.83Å; F1174-Y1219 HydrophobicContact CZ-CG 3.83Å; V1209-Y1219 HydrophobicContact CG1-CD2 4.15Å; F1216-Y1219 HydrophobicContact CB-CD1 4.49Å; F1216-Y1219 PolarHBondContact O-N 2.86Å; F1216-Y1219 VanDerWaalsContact O-N 3.15Å; H1217-Y1219 VanDerWaalsContact C-N 3.35Å; H1217-Y1219 PolarHBondContact O-N 2.86Å; Y1219-T1221 VanDerWaalsContact C-N 3.31Å; Y1219-T1221 PolarHBondContact O-N 3.49Å; Y1219-L1222 WeakPolarHBondContact O-CB 3.22Å; Y1219-L1222 PolarHBondContact O-N 2.8Å; Y1219-L1222 VanDerWaalsContact O-N 3.12Å; Y1219-L1223 HydrophobicContact CD1-CD1 4.32Å; Y1219-L1223 HydrophobicContact CD2-CG 4.36Å; Y1219-L1223 HydrophobicContact CE1-CD1 3.65Å; Y1219-L1223 HydrophobicContact CE1-CG 4.26Å; Y1219-L1223 HydrophobicContact CE2-CD1 4.15Å; Y1219-L1223 HydrophobicContact CE2-CD2 3.9Å; Y1219-L1223 HydrophobicContact CE2-CG 3.93Å; Y1219-L1223 PolarHBondContact O-N 2.82Å; Y1219-P1234 WeakPolarHBondContact OH-CA 3.22Å; Y1219-Y1235 PolarHBondContact OH-N 3.04Å; Y1219-L1238 HydrophobicContact CD1-CD2 3.65Å; Y1219-L1238 HydrophobicContact CE1-CD2 3.67Å |
| 1220 | R | 85.6 | Confident | 75.9 | Confident | 66 Ų | 66 | 56.9 Ų | 56.9 | 25% | 0.249 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.9 | -34.3 | 179.9 | -66.5 | -173.6 | -166.7 | -89.2 | 1.5 | 112.5 | N1215 F1216 H1217 L1223 S1224 D1242 | N1215-R1220 PolarHBondContact ND2-NH2 3.43Å; N1215-R1220 VanDerWaalsContact ND2-NH2 3.15Å; N1215-R1220 WeakPolarHBondContact O-CD 3.45Å; N1215-R1220 PolarHBondContact O-NE 2.88Å; N1215-R1220 PolarHBondContact OD1-NH2 3Å; N1215-R1220 VanDerWaalsContact OD1-NH2 3.15Å; F1216-R1220 WeakPolarHBondContact O-CG 3.47Å; F1216-R1220 PolarHBondContact O-N 2.83Å; H1217-R1220 PolarHBondContact O-N 2.86Å; R1220-L1223 PolarHBondContact O-N 3.17Å; R1220-S1224 VanDerWaalsContact O-CB 3.29Å; R1220-S1224 WeakPolarHBondContact O-CB 3.43Å; R1220-S1224 PolarHBondContact O-N 2.98Å; R1220-S1224 PolarHBondContact O-OG 2.82Å; R1220-D1242 IonicContact CZ-OD1 2.68Å; R1220-D1242 IonicContact CZ-OD2 3.75Å; R1220-D1242 VanDerWaalsContact CZ-OD2 3.22Å; R1220-D1242 IonicContact NH1-OD1 3.91Å; R1220-D1242 IonicContact NH1-OD2 3.76Å; R1220-D1242 PolarHBondContact NH1-OD2 2.96Å; R1220-D1242 VanDerWaalsContact NH2-CG 3.25Å; R1220-D1242 IonicContact NH2-OD1 3.31Å; R1220-D1242 PolarHBondContact NH2-OD1 3.45Å; R1220-D1242 IonicContact NH2-OD2 3.41Å; R1220-D1242 PolarHBondContact NH2-OD2 3.29Å |
| 1221 | T | 82.3 | Confident | 76.1 | Confident | 72 Ų | 72 | 57.5 Ų | 57.5 | 44% | 0.442 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.1 | -36.8 | 173 | -67.6 | 0 | 0 | 0 | 0 | 111.6 | H1217 Y1219 S1224 A1225 | H1217-T1221 PolarHBondContact NE2-OG1 3.03Å; H1217-T1221 WeakPolarHBondContact O-CB 3.23Å; H1217-T1221 PolarHBondContact O-N 3.27Å; H1217-T1221 PolarHBondContact O-OG1 3.39Å; H1217-T1221 VanDerWaalsContact O-OG1 3.13Å; Y1219-T1221 VanDerWaalsContact C-N 3.31Å; Y1219-T1221 PolarHBondContact O-N 3.49Å; T1221-S1224 PolarHBondContact O-N 3.22Å; T1221-A1225 PolarHBondContact O-N 3.06Å; T1221-A1225 VanDerWaalsContact O-N 3.12Å |
| 1222 | L | 84.8 | Confident | 76.8 | Confident | 56 Ų | 56 | 56.4 Ų | 56.4 | 29% | 0.293 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.2 | -39.5 | 171.4 | -71.2 | 170.5 | 0 | 0 | 0 | 112.8 | V1209 H1218 Y1219 S1224 | V1209-L1222 HydrophobicContact CG1-CD1 3.88Å; V1209-L1222 HydrophobicContact CG2-CD1 3.9Å; H1218-L1222 WeakPolarHBondContact O-CG 3.49Å; H1218-L1222 PolarHBondContact O-N 3.04Å; Y1219-L1222 WeakPolarHBondContact O-CB 3.22Å; Y1219-L1222 PolarHBondContact O-N 2.8Å; Y1219-L1222 VanDerWaalsContact O-N 3.12Å; L1222-S1224 VanDerWaalsContact C-N 3.28Å; L1222-S1224 PolarHBondContact O-N 2.84Å |
| 1223 | L | 83.4 | Confident | 77.6 | Confident | 42 Ų | 42 | 55.4 Ų | 55.4 | 22% | 0.22 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66 | -29.6 | 173.8 | -68 | -175.1 | 0 | 0 | 0 | 113.3 | F1170 Y1219 R1220 M1232 M1277 | F1170-L1223 HydrophobicContact CD2-CD2 4.06Å; F1170-L1223 HydrophobicContact CE2-CD2 4.06Å; Y1219-L1223 HydrophobicContact CD1-CD1 4.32Å; Y1219-L1223 HydrophobicContact CD2-CG 4.36Å; Y1219-L1223 HydrophobicContact CE1-CD1 3.65Å; Y1219-L1223 HydrophobicContact CE1-CG 4.26Å; Y1219-L1223 HydrophobicContact CE2-CD1 4.15Å; Y1219-L1223 HydrophobicContact CE2-CD2 3.9Å; Y1219-L1223 HydrophobicContact CE2-CG 3.93Å; Y1219-L1223 PolarHBondContact O-N 2.82Å; R1220-L1223 PolarHBondContact O-N 3.17Å; L1223-M1232 HydrophobicContact CD2-SD 3.88Å; L1223-M1277 HydrophobicContact CD1-CE 4.39Å; L1223-M1277 HydrophobicContact CD2-CE 3.87Å |
| 1224 | S | 77 | Confident | 78.8 | Confident | 93 Ų | 93 | 53.5 Ų | 53.5 | 65% | 0.65 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -97.3 | -5.4 | -171.8 | -53.2 | 0 | 0 | 0 | 0 | 113.9 | R1220 T1221 L1222 | R1220-S1224 VanDerWaalsContact O-CB 3.29Å; R1220-S1224 WeakPolarHBondContact O-CB 3.43Å; R1220-S1224 PolarHBondContact O-N 2.98Å; R1220-S1224 PolarHBondContact O-OG 2.82Å; T1221-S1224 PolarHBondContact O-N 3.22Å; L1222-S1224 VanDerWaalsContact C-N 3.28Å; L1222-S1224 PolarHBondContact O-N 2.84Å |
| 1225 | A | 75.7 | Confident | 80.1 | Confident | 43 Ų | 43 | 51.5 Ų | 51.5 | 36% | 0.355 | 29% | 0.291 | S | S | . | . | trans | -68 | 131.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1221 N1227 V1228 | T1221-A1225 PolarHBondContact O-N 3.06Å; T1221-A1225 VanDerWaalsContact O-N 3.12Å; A1225-N1227 PolarHBondContact O-N 3.46Å; A1225-V1228 HydrophobicContact CB-CG2 4.06Å; A1225-V1228 PolarHBondContact O-N 2.91Å | ||
| 1226 | N | 56.1 | Low | 80.9 | Confident | 159 Ų | 159 | 48.4 Ų | 48.4 | 85% | 0.85 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -24.8 | -174 | -69.9 | -13 | 0 | 0 | 0 | 115.6 | ||
| 1227 | N | 61.2 | Low | 81.4 | Confident | 129 Ų | 129 | 48.3 Ų | 48.3 | 69% | 0.69 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -10.2 | -178.8 | -62.3 | -0.3 | 0 | 0 | 0 | 113.3 | A1225 S1229 | A1225-N1227 PolarHBondContact O-N 3.46Å; N1227-S1229 PolarHBondContact O-N 2.88Å |
| 1228 | V | 66.1 | Low | 81.9 | Confident | 34 Ų | 34 | 45.9 Ų | 45.9 | 21% | 0.206 | 27% | 0.265 | C | S | . | . | trans | -98.7 | 77.4 | -173.2 | -170.8 | 0 | 0 | 0 | 0 | 109.6 | L1168 A1225 M1232 | L1168-V1228 HydrophobicContact CD1-CG1 3.92Å; L1168-V1228 HydrophobicContact CD2-CG1 3.98Å; A1225-V1228 HydrophobicContact CB-CG2 4.06Å; A1225-V1228 PolarHBondContact O-N 2.91Å; V1228-M1232 HydrophobicContact CG1-CE 3.77Å; V1228-M1232 HydrophobicContact CG1-SD 4.19Å; V1228-M1232 WeakPolarHBondContact O-CE 3.4Å | ||
| 1229 | S | 73.9 | Confident | 82.4 | Confident | 87 Ų | 87 | 43.5 Ų | 43.5 | 61% | 0.608 | 26% | 0.255 | S | S | * | . | P | Polyproline II helix | trans | -76 | 147.7 | 172.4 | 58.9 | 0 | 0 | 0 | 0 | 111.7 | N1227 | N1227-S1229 PolarHBondContact O-N 2.88Š|
| 1230 | A | 81.2 | Confident | 82.6 | Confident | 25 Ų | 25 | 43.6 Ų | 43.6 | 21% | 0.207 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -55.6 | 145.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | R1276 V1280 | A1230-R1276 WeakPolarHBondContact CB-O 3.17Å; A1230-V1280 HydrophobicContact CB-CB 4.47Å; A1230-V1280 HydrophobicContact CB-CG2 3.81Å |
| 1231 | P | 85.5 | Confident | 82.6 | Confident | 18 Ų | 18 | 42.9 Ų | 42.9 | 12% | 0.117 | 25% | 0.254 | C | S | . | . | S | Bend | cis | -82.1 | 136.1 | 15.8 | 34 | -35.1 | 0 | 0 | 0 | 113.6 | Y1074 V1280 Y1282 | Y1074-P1231 HydrophobicContact CE1-CB 4.37Å; Y1074-P1231 HydrophobicContact CE2-CB 3.94Å; Y1074-P1231 WeakPolarHBondContact OH-CB 3.45Å; P1231-V1280 HydrophobicContact CB-CB 4.21Å; P1231-V1280 HydrophobicContact CB-CG1 4.48Å; P1231-V1280 HydrophobicContact CG-CG1 4.41Å; P1231-Y1282 HydrophobicContact CB-CD2 3.81Å; P1231-Y1282 HydrophobicContact CB-CE2 4.44Å; P1231-Y1282 HydrophobicContact CB-CG 4.47Å; P1231-Y1282 HydrophobicContact CG-CD2 3.94Å; P1231-Y1282 HydrophobicContact CG-CE2 4.38Å; P1231-Y1282 HydrophobicContact CG-CG 4.36Å |
| 1232 | M | 89.7 | Confident | 82.8 | Confident | 11 Ų | 11 | 40.5 Ų | 40.5 | 5% | 0.054 | 24% | 0.239 | C | C | . | . | trans | -148.9 | 159.6 | 173.1 | 68.8 | 175.2 | 96.9 | 0 | 0 | 110 | L1168 L1223 V1228 M1277 | L1168-M1232 HydrophobicContact CB-CB 3.83Å; L1168-M1232 HydrophobicContact CD1-CB 4.38Å; L1223-M1232 HydrophobicContact CD2-SD 3.88Å; V1228-M1232 HydrophobicContact CG1-CE 3.77Å; V1228-M1232 HydrophobicContact CG1-SD 4.19Å; V1228-M1232 WeakPolarHBondContact O-CE 3.4Å; M1232-M1277 HydrophobicContact CG-CB 4.14Å; M1232-M1277 HydrophobicContact CG-CE 3.75Å; M1232-M1277 HydrophobicContact CG-CG 4.24Å; M1232-M1277 HydrophobicContact SD-CE 3.46Å; M1232-M1277 WeakPolarHBondContact SD-CE 3.42Å | ||
| 1233 | L | 92 | Very high | 83.1 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -119.5 | 106.9 | -176.5 | -161.8 | 86.2 | 0 | 0 | 0 | 110.4 | D1073 Y1074 F1077 F1126 L1168 N1169 F1170 N1171 | D1073-L1233 HydrophobicContact CB-CD2 3.56Å; Y1074-L1233 HydrophobicContact CD2-CD1 3.82Å; Y1074-L1233 HydrophobicContact CG-CD1 4.47Å; F1077-L1233 HydrophobicContact CB-CD1 3.51Å; F1077-L1233 HydrophobicContact CD1-CD1 3.49Å; F1077-L1233 VanDerWaalsContact CD1-CD1 3.49Å; F1077-L1233 HydrophobicContact CE1-CD1 4.34Å; F1077-L1233 HydrophobicContact CG-CD1 3.69Å; F1126-L1233 HydrophobicContact CZ-CD1 4.41Å; F1126-L1233 HydrophobicContact CZ-CG 4.48Å; L1168-L1233 PolarHBondContact O-N 2.68Å; N1169-L1233 WeakPolarHBondContact OD1-CD2 3.27Å; F1170-L1233 WeakPolarHBondContact CB-O 3.47Å; F1170-L1233 PolarHBondContact N-O 3.18Å; N1171-L1233 HydrophobicContact CB-CD2 3.47Å; N1171-L1233 VanDerWaalsContact CB-CD2 3.47Å; N1171-L1233 HydrophobicContact CB-CG 4.06Å; N1171-L1233 PolarHBondContact N-O 3.28Å |
| 1234 | P | 92.8 | Very high | 83.2 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.013 | 23% | 0.227 | C | C | . | . | trans | -73.3 | 157.4 | 178.6 | 31.2 | -34.8 | 0 | 0 | 0 | 112.1 | F1077 Y1219 L1236 V1239 M1277 | F1077-P1234 HydrophobicContact CE1-CG 4.34Å; F1077-P1234 HydrophobicContact CE2-CG 4.08Å; F1077-P1234 HydrophobicContact CZ-CG 3.68Å; Y1219-P1234 WeakPolarHBondContact OH-CA 3.22Å; P1234-L1236 PolarHBondContact O-N 3.46Å; P1234-V1239 HydrophobicContact CB-CG2 4.1Å; P1234-V1239 HydrophobicContact CG-CG2 4.41Å; P1234-M1277 HydrophobicContact CB-CE 3.81Å; P1234-M1277 HydrophobicContact CB-SD 4.19Å; P1234-M1277 HydrophobicContact CG-CE 4.06Å; P1234-M1277 HydrophobicContact CG-SD 3.87Å | ||
| 1235 | Y | 93 | Very high | 83.4 | Confident | 24 Ų | 24 | 38.3 Ų | 38.3 | 9% | 0.094 | 22% | 0.218 | C | C | . | . | trans | -72.3 | 109.4 | 170 | -179.4 | -126.6 | 0 | 0 | 0 | 111.1 | V1130 F1174 Y1219 P1237 L1238 | V1130-Y1235 HydrophobicContact CG1-CE2 4.47Å; F1174-Y1235 HydrophobicContact CB-CD1 4.12Å; F1174-Y1235 HydrophobicContact CB-CD2 3.33Å; F1174-Y1235 HydrophobicContact CB-CE1 4.35Å; F1174-Y1235 HydrophobicContact CB-CE2 3.62Å; F1174-Y1235 HydrophobicContact CB-CG 3.6Å; F1174-Y1235 AromaticContact CD1-CD1 3.39Å; F1174-Y1235 HydrophobicContact CD1-CD1 3.39Å; F1174-Y1235 HydrophobicContact CD1-CD2 4.24Å; F1174-Y1235 AromaticContact CD1-CE1 3.64Å; F1174-Y1235 HydrophobicContact CD1-CE1 3.64Å; F1174-Y1235 HydrophobicContact CD1-CE2 4.45Å; F1174-Y1235 AromaticContact CD1-CG 3.71Å; F1174-Y1235 HydrophobicContact CD1-CG 3.71Å; F1174-Y1235 HydrophobicContact CD2-CG 4.22Å; F1174-Y1235 AromaticContact CE1-CD1 3.9Å; F1174-Y1235 HydrophobicContact CE1-CD1 3.9Å; F1174-Y1235 HydrophobicContact CE1-CE1 4.32Å; F1174-Y1235 HydrophobicContact CE1-CG 4.44Å; F1174-Y1235 AromaticContact CG-CD1 3.81Å; F1174-Y1235 HydrophobicContact CG-CD1 3.81Å; F1174-Y1235 AromaticContact CG-CD2 3.9Å; F1174-Y1235 HydrophobicContact CG-CD2 3.9Å; F1174-Y1235 HydrophobicContact CG-CE1 4.28Å; F1174-Y1235 HydrophobicContact CG-CE2 4.37Å; F1174-Y1235 AromaticContact CG-CG 3.59Å; F1174-Y1235 HydrophobicContact CG-CG 3.59Å; Y1219-Y1235 PolarHBondContact OH-N 3.04Å; Y1235-P1237 HydrophobicContact CD2-CG 4.38Å; Y1235-P1237 HydrophobicContact CE1-CB 4.02Å; Y1235-P1237 HydrophobicContact CE1-CG 4.12Å; Y1235-P1237 VanDerWaalsContact CE2-CD 3.49Å; Y1235-P1237 HydrophobicContact CE2-CG 3.78Å; Y1235-L1238 HydrophobicContact CD1-CB 3.99Å; Y1235-L1238 PolarHBondContact O-N 3.35Å | ||
| 1236 | L | 92.4 | Very high | 83.7 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.4 | -44.8 | -170.9 | 177.1 | 69.4 | 0 | 0 | 0 | 114.7 | Y1085 L1123 F1126 V1130 N1171 P1234 L1238 V1239 L1240 | Y1085-L1236 HydrophobicContact CE1-CD1 4.28Å; L1123-L1236 HydrophobicContact CD1-CD1 3.91Å; L1123-L1236 HydrophobicContact CD1-CD2 4.19Å; F1126-L1236 HydrophobicContact CB-CD2 4.24Å; F1126-L1236 HydrophobicContact CD1-CB 4.29Å; F1126-L1236 HydrophobicContact CD1-CD1 4.06Å; F1126-L1236 HydrophobicContact CD1-CD2 3.65Å; F1126-L1236 HydrophobicContact CD1-CG 4.21Å; F1126-L1236 HydrophobicContact CE1-CB 3.91Å; F1126-L1236 HydrophobicContact CE1-CD1 4.16Å; F1126-L1236 HydrophobicContact CE1-CD2 4.15Å; F1126-L1236 HydrophobicContact CE1-CG 4.29Å; F1126-L1236 HydrophobicContact CG-CD2 4.02Å; F1126-L1236 HydrophobicContact CZ-CB 4.41Å; V1130-L1236 HydrophobicContact CG2-CB 4.11Å; V1130-L1236 HydrophobicContact CG2-CD2 4.24Å; N1171-L1236 PolarHBondContact OD1-N 3.11Å; P1234-L1236 PolarHBondContact O-N 3.46Å; L1236-L1238 VanDerWaalsContact C-N 3.26Å; L1236-L1238 PolarHBondContact O-N 3.13Å; L1236-V1239 WeakPolarHBondContact O-CA 3.28Å; L1236-V1239 WeakPolarHBondContact O-CB 3.39Å; L1236-V1239 PolarHBondContact O-N 3.46Å; L1236-L1240 HydrophobicContact CD1-CD1 4.09Å; L1236-L1240 HydrophobicContact CD1-CD2 4.23Å; L1236-L1240 HydrophobicContact CD1-CG 3.87Å; L1236-L1240 HydrophobicContact CD2-CD1 4.21Å; L1236-L1240 HydrophobicContact CG-CD1 3.9Å; L1236-L1240 HydrophobicContact CG-CG 4.07Å; L1236-L1240 PolarHBondContact O-N 2.89Å |
| 1237 | P | 90.9 | Very high | 85.2 | Confident | 20 Ų | 20 | 31.8 Ų | 31.8 | 13% | 0.13 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.7 | -30.4 | -176.3 | -26.9 | 37.8 | 0 | 0 | 0 | 114.1 | V1130 Y1235 K1241 A1618 | V1130-P1237 HydrophobicContact CG1-CG 3.77Å; Y1235-P1237 HydrophobicContact CD2-CG 4.38Å; Y1235-P1237 HydrophobicContact CE1-CB 4.02Å; Y1235-P1237 HydrophobicContact CE1-CG 4.12Å; Y1235-P1237 VanDerWaalsContact CE2-CD 3.49Å; Y1235-P1237 HydrophobicContact CE2-CG 3.78Å; P1237-K1241 VanDerWaalsContact O-CB 3.26Å; P1237-K1241 WeakPolarHBondContact O-CB 3.47Å; P1237-K1241 PolarHBondContact O-N 3.2Å; P1237-A1618 HydrophobicContact CB-CB 4.25Å; P1237-A1618 HydrophobicContact CG-CB 4.27Å |
| 1238 | L | 88.4 | Confident | 86.1 | Confident | 6 Ų | 6 | 31.5 Ų | 31.5 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -73.7 | -34.1 | 174.8 | -178.4 | 52.3 | 0 | 0 | 0 | 111.8 | F1216 Y1219 Y1235 L1236 K1241 D1242 | F1216-L1238 HydrophobicContact CB-CD2 3.91Å; F1216-L1238 HydrophobicContact CD1-CD2 4.05Å; F1216-L1238 HydrophobicContact CD2-CD1 3.62Å; F1216-L1238 HydrophobicContact CD2-CD2 3.64Å; F1216-L1238 HydrophobicContact CD2-CG 4.32Å; F1216-L1238 HydrophobicContact CE1-CD2 4.42Å; F1216-L1238 HydrophobicContact CE2-CD1 3.61Å; F1216-L1238 HydrophobicContact CE2-CD2 4.07Å; F1216-L1238 HydrophobicContact CE2-CG 4.47Å; F1216-L1238 HydrophobicContact CG-CD1 4.46Å; F1216-L1238 HydrophobicContact CG-CD2 3.63Å; F1216-L1238 HydrophobicContact CZ-CD1 4.42Å; F1216-L1238 HydrophobicContact CZ-CD2 4.42Å; Y1219-L1238 HydrophobicContact CD1-CD2 3.65Å; Y1219-L1238 HydrophobicContact CE1-CD2 3.67Å; Y1235-L1238 HydrophobicContact CD1-CB 3.99Å; Y1235-L1238 PolarHBondContact O-N 3.35Å; L1236-L1238 VanDerWaalsContact C-N 3.26Å; L1236-L1238 PolarHBondContact O-N 3.13Å; L1238-K1241 HydrophobicContact CD1-CD 3.92Å; L1238-K1241 WeakPolarHBondContact O-CB 3.5Å; L1238-K1241 PolarHBondContact O-N 3.4Å; L1238-D1242 VanDerWaalsContact O-CG 3.31Å; L1238-D1242 PolarHBondContact O-N 3.43Å |
| 1239 | V | 90.7 | Very high | 86.5 | Confident | 17 Ų | 17 | 33 Ų | 33 | 10% | 0.103 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.9 | -46.8 | 173.7 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | P1234 L1236 K1241 D1242 L1243 I1274 | P1234-V1239 HydrophobicContact CB-CG2 4.1Å; P1234-V1239 HydrophobicContact CG-CG2 4.41Å; L1236-V1239 WeakPolarHBondContact O-CA 3.28Å; L1236-V1239 WeakPolarHBondContact O-CB 3.39Å; L1236-V1239 PolarHBondContact O-N 3.46Å; V1239-K1241 VanDerWaalsContact C-N 3.34Å; V1239-K1241 PolarHBondContact O-N 2.97Å; V1239-D1242 PolarHBondContact O-N 2.9Å; V1239-L1243 HydrophobicContact CG1-CD1 4.07Å; V1239-L1243 WeakPolarHBondContact O-CG 3.3Å; V1239-L1243 PolarHBondContact O-N 2.67Å; V1239-L1243 VanDerWaalsContact O-N 3.1Å; V1239-I1274 HydrophobicContact CG1-CD1 3.21Å; V1239-I1274 HydrophobicContact CG1-CG1 3.63Å |
| 1240 | L | 91.6 | Very high | 86.7 | Confident | 8 Ų | 8 | 30.6 Ų | 30.6 | 4% | 0.042 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.8 | -35.9 | 175.9 | -64.2 | -178.1 | 0 | 0 | 0 | 112.2 | Y1085 E1088 L1123 L1236 L1243 T1244 L1616 | Y1085-L1240 HydrophobicContact CD1-CD2 3.97Å; Y1085-L1240 HydrophobicContact CE1-CD2 4.25Å; E1088-L1240 VanDerWaalsContact OE2-CD2 3.25Å; E1088-L1240 WeakPolarHBondContact OE2-CD2 3.21Å; L1123-L1240 HydrophobicContact CD1-CD2 4.43Å; L1236-L1240 HydrophobicContact CD1-CD1 4.09Å; L1236-L1240 HydrophobicContact CD1-CD2 4.23Å; L1236-L1240 HydrophobicContact CD1-CG 3.87Å; L1236-L1240 HydrophobicContact CD2-CD1 4.21Å; L1236-L1240 HydrophobicContact CG-CD1 3.9Å; L1236-L1240 HydrophobicContact CG-CG 4.07Å; L1236-L1240 PolarHBondContact O-N 2.89Å; L1240-L1243 HydrophobicContact CD2-CD1 4.36Å; L1240-T1244 VanDerWaalsContact O-CB 3.32Å; L1240-T1244 WeakPolarHBondContact O-CB 3.49Å; L1240-T1244 PolarHBondContact O-N 2.86Å; L1240-T1244 PolarHBondContact O-OG1 2.94Å; L1240-L1616 HydrophobicContact CD1-CD1 4.24Å; L1240-L1616 HydrophobicContact CD1-CD2 3.88Å |
| 1241 | K | 86.3 | Confident | 86.6 | Confident | 50 Ų | 50 | 33.4 Ų | 33.4 | 22% | 0.217 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.2 | -53.8 | 170.6 | 179.3 | -163.4 | 170.1 | -158.1 | 0 | 111.1 | P1237 L1238 V1239 L1243 T1244 F1245 | P1237-K1241 VanDerWaalsContact O-CB 3.26Å; P1237-K1241 WeakPolarHBondContact O-CB 3.47Å; P1237-K1241 PolarHBondContact O-N 3.2Å; L1238-K1241 HydrophobicContact CD1-CD 3.92Å; L1238-K1241 WeakPolarHBondContact O-CB 3.5Å; L1238-K1241 PolarHBondContact O-N 3.4Å; V1239-K1241 VanDerWaalsContact C-N 3.34Å; V1239-K1241 PolarHBondContact O-N 2.97Å; K1241-L1243 VanDerWaalsContact C-N 3.3Å; K1241-L1243 PolarHBondContact O-N 3.31Å; K1241-T1244 PolarHBondContact O-N 3.37Å; K1241-T1244 VanDerWaalsContact O-N 3.12Å; K1241-F1245 HydrophobicContact CD-CE2 4.27Å; K1241-F1245 HydrophobicContact CG-CD2 3.74Å; K1241-F1245 HydrophobicContact CG-CE2 3.72Å; K1241-F1245 WeakPolarHBondContact O-CD2 3.41Å; K1241-F1245 PolarHBondContact O-N 2.95Å |
| 1242 | D | 86.5 | Confident | 86.6 | Confident | 23 Ų | 23 | 34.9 Ų | 34.9 | 12% | 0.123 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.7 | -43.5 | -177.8 | -71.3 | -19 | 0 | 0 | 0 | 111.4 | R1220 L1238 V1239 F1245 I1246 | R1220-D1242 IonicContact CZ-OD1 2.68Å; R1220-D1242 IonicContact CZ-OD2 3.75Å; R1220-D1242 VanDerWaalsContact CZ-OD2 3.22Å; R1220-D1242 IonicContact NH1-OD1 3.91Å; R1220-D1242 IonicContact NH1-OD2 3.76Å; R1220-D1242 PolarHBondContact NH1-OD2 2.96Å; R1220-D1242 VanDerWaalsContact NH2-CG 3.25Å; R1220-D1242 IonicContact NH2-OD1 3.31Å; R1220-D1242 PolarHBondContact NH2-OD1 3.45Å; R1220-D1242 IonicContact NH2-OD2 3.41Å; R1220-D1242 PolarHBondContact NH2-OD2 3.29Å; L1238-D1242 VanDerWaalsContact O-CG 3.31Å; L1238-D1242 PolarHBondContact O-N 3.43Å; V1239-D1242 PolarHBondContact O-N 2.9Å; D1242-F1245 PolarHBondContact O-N 3.05Å; D1242-I1246 WeakPolarHBondContact O-CG1 3.27Å; D1242-I1246 PolarHBondContact O-N 3.42Å |
| 1243 | L | 90.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.9 | -42 | 174.7 | -72.4 | 166.4 | 0 | 0 | 0 | 112.8 | Y1085 I1089 V1239 L1240 K1241 I1246 H1247 L1267 E1270 V1271 I1274 | Y1085-L1243 HydrophobicContact CD1-CD1 4.03Å; Y1085-L1243 HydrophobicContact CG-CD1 4.48Å; I1089-L1243 HydrophobicContact CD1-CB 3.65Å; I1089-L1243 HydrophobicContact CD1-CD1 4.12Å; I1089-L1243 HydrophobicContact CD1-CD2 4.01Å; I1089-L1243 HydrophobicContact CD1-CG 4.13Å; I1089-L1243 HydrophobicContact CG1-CB 4.15Å; V1239-L1243 HydrophobicContact CG1-CD1 4.07Å; V1239-L1243 WeakPolarHBondContact O-CG 3.3Å; V1239-L1243 PolarHBondContact O-N 2.67Å; V1239-L1243 VanDerWaalsContact O-N 3.1Å; L1240-L1243 HydrophobicContact CD2-CD1 4.36Å; K1241-L1243 VanDerWaalsContact C-N 3.3Å; K1241-L1243 PolarHBondContact O-N 3.31Å; L1243-I1246 PolarHBondContact O-N 2.81Å; L1243-H1247 PolarHBondContact O-N 3.15Å; L1243-L1267 HydrophobicContact CD2-CD2 3.95Å; L1243-E1270 HydrophobicContact CD2-CB 4.08Å; L1243-E1270 HydrophobicContact CD2-CG 4.4Å; L1243-V1271 HydrophobicContact CD2-CG2 3.96Å; L1243-I1274 HydrophobicContact CD1-CD1 4.04Å |
| 1244 | T | 86.1 | Confident | 85.9 | Confident | 43 Ų | 43 | 38.7 Ų | 38.7 | 26% | 0.264 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.2 | -41 | 176.7 | -57.7 | 0 | 0 | 0 | 0 | 111.7 | L1240 K1241 H1247 L1248 | L1240-T1244 VanDerWaalsContact O-CB 3.32Å; L1240-T1244 WeakPolarHBondContact O-CB 3.49Å; L1240-T1244 PolarHBondContact O-N 2.86Å; L1240-T1244 PolarHBondContact O-OG1 2.94Å; K1241-T1244 PolarHBondContact O-N 3.37Å; K1241-T1244 VanDerWaalsContact O-N 3.12Å; T1244-H1247 PolarHBondContact O-N 2.97Å; T1244-H1247 VanDerWaalsContact O-N 3.14Å; T1244-L1248 HydrophobicContact CG2-CD1 3.84Å; T1244-L1248 HydrophobicContact CG2-CG 4.29Å; T1244-L1248 PolarHBondContact O-N 2.91Å |
| 1245 | F | 81.4 | Confident | 85 | Confident | 101 Ų | 101 | 44.6 Ų | 44.6 | 44% | 0.443 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 174.7 | -94 | -104.7 | 0 | 0 | 0 | 111.8 | M93 K1241 D1242 H1247 G1249 | M93-F1245 HydrophobicContact CE-CE1 3.71Å; M93-F1245 HydrophobicContact CE-CE2 3.97Å; M93-F1245 HydrophobicContact CE-CZ 3.25Å; K1241-F1245 HydrophobicContact CD-CE2 4.27Å; K1241-F1245 HydrophobicContact CG-CD2 3.74Å; K1241-F1245 HydrophobicContact CG-CE2 3.72Å; K1241-F1245 WeakPolarHBondContact O-CD2 3.41Å; K1241-F1245 PolarHBondContact O-N 2.95Å; D1242-F1245 PolarHBondContact O-N 3.05Å; F1245-H1247 VanDerWaalsContact C-N 3.28Å; F1245-H1247 PolarHBondContact O-N 3.35Å; F1245-G1249 PolarHBondContact O-N 3.06Å |
| 1246 | I | 81.2 | Confident | 84.4 | Confident | 27 Ų | 27 | 49.2 Ų | 49.2 | 14% | 0.138 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.9 | -39 | 173.3 | -64.3 | 164.3 | 0 | 0 | 0 | 110.5 | D1242 L1243 N1250 M1266 L1267 E1270 | D1242-I1246 WeakPolarHBondContact O-CG1 3.27Å; D1242-I1246 PolarHBondContact O-N 3.42Å; L1243-I1246 PolarHBondContact O-N 2.81Å; I1246-N1250 WeakPolarHBondContact O-CB 3.32Å; I1246-N1250 PolarHBondContact O-ND2 3.28Å; I1246-M1266 HydrophobicContact CG1-CE 4.37Å; I1246-M1266 HydrophobicContact CG2-CB 3.62Å; I1246-M1266 HydrophobicContact CG2-CE 4.29Å; I1246-L1267 HydrophobicContact CB-CD2 3.75Å; I1246-L1267 HydrophobicContact CB-CG 4.46Å; I1246-L1267 HydrophobicContact CG2-CD2 3.54Å; I1246-L1267 HydrophobicContact CG2-CG 3.68Å; I1246-E1270 HydrophobicContact CD1-CB 4.48Å |
| 1247 | H | 87.2 | Confident | 84 | Confident | 39 Ų | 39 | 51.8 Ų | 51.8 | 18% | 0.181 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67 | -50.5 | 178.4 | -176 | 99.8 | 0 | 0 | 0 | 113 | I1089 F1090 L1243 T1244 F1245 K1263 | I1089-H1247 HydrophobicContact CG2-CB 3.46Å; I1089-H1247 VanDerWaalsContact CG2-CB 3.46Å; I1089-H1247 WeakPolarHBondContact CG2-ND1 3.49Å; F1090-H1247 AromaticContact CD1-CE1 3.49Å; F1090-H1247 VanDerWaalsContact CD1-CE1 3.49Å; F1090-H1247 WeakPolarHBondContact CD1-CE1 3.32Å; F1090-H1247 AromaticContact CD1-ND1 3.98Å; F1090-H1247 AromaticContact CD2-CE1 3.98Å; F1090-H1247 AromaticContact CD2-ND1 3.69Å; F1090-H1247 AromaticContact CE1-CE1 3.47Å; F1090-H1247 VanDerWaalsContact CE1-CE1 3.47Å; F1090-H1247 WeakPolarHBondContact CE1-CE1 3.47Å; F1090-H1247 AromaticContact CE1-ND1 3.73Å; F1090-H1247 AromaticContact CE2-CE1 3.95Å; F1090-H1247 AromaticContact CE2-ND1 3.42Å; F1090-H1247 WeakPolarHBondContact CE2-ND1 3.44Å; F1090-H1247 AromaticContact CG-CE1 3.75Å; F1090-H1247 AromaticContact CG-ND1 3.95Å; F1090-H1247 AromaticContact CZ-CE1 3.71Å; F1090-H1247 AromaticContact CZ-ND1 3.45Å; F1090-H1247 WeakPolarHBondContact CZ-ND1 3.22Å; L1243-H1247 PolarHBondContact O-N 3.15Å; T1244-H1247 PolarHBondContact O-N 2.97Å; T1244-H1247 VanDerWaalsContact O-N 3.14Å; F1245-H1247 VanDerWaalsContact C-N 3.28Å; F1245-H1247 PolarHBondContact O-N 3.35Å; H1247-K1263 VanDerWaalsContact O-CE 3.23Å; H1247-K1263 WeakPolarHBondContact O-CE 3.09Å; H1247-K1263 PolarHBondContact O-NZ 3.1Å |
| 1248 | L | 81.1 | Confident | 83.9 | Confident | 123 Ų | 123 | 51.2 Ų | 51.2 | 64% | 0.644 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -75.3 | -37.7 | -174.9 | -65.9 | 174.5 | 0 | 0 | 0 | 112.4 | T1244 N1250 | T1244-L1248 HydrophobicContact CG2-CD1 3.84Å; T1244-L1248 HydrophobicContact CG2-CG 4.29Å; T1244-L1248 PolarHBondContact O-N 2.91Å; L1248-N1250 PolarHBondContact O-N 2.83Å |
| 1249 | G | 74.1 | Confident | 84.1 | Confident | 64 Ų | 64 | 51.4 Ų | 51.4 | 66% | 0.66 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -6.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | F1245 | F1245-G1249 PolarHBondContact O-N 3.06Š|
| 1250 | N | 78 | Confident | 84.1 | Confident | 38 Ų | 38 | 51.4 Ų | 51.4 | 20% | 0.203 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -129.5 | 126.8 | -178.8 | -66.7 | -91.7 | 0 | 0 | 0 | 110.8 | I1246 L1248 K1263 | I1246-N1250 WeakPolarHBondContact O-CB 3.32Å; I1246-N1250 PolarHBondContact O-ND2 3.28Å; L1248-N1250 PolarHBondContact O-N 2.83Å; N1250-K1263 HydrophobicContact CB-CB 3.9Å; N1250-K1263 HydrophobicContact CB-CD 3.88Å; N1250-K1263 HydrophobicContact CB-CG 3.76Å; N1250-K1263 VanDerWaalsContact O-CD 3.32Å; N1250-K1263 WeakPolarHBondContact O-CD 3.49Å; N1250-K1263 VanDerWaalsContact O-CE 3.24Å; N1250-K1263 WeakPolarHBondContact O-CE 3.21Å; N1250-K1263 PolarHBondContact O-NZ 3.3Å |
| 1251 | P | 80 | Confident | 84.1 | Confident | 84 Ų | 84 | 51 Ų | 51 | 55% | 0.545 | 32% | 0.315 | S | S | . | . | trans | -70 | 138.4 | 175.6 | 30.7 | -35.5 | 0 | 0 | 0 | 110.6 | C1253 N1260 | P1251-C1253 VanDerWaalsContact C-N 3.31Å; P1251-C1253 PolarHBondContact O-N 3.25Å; P1251-N1260 VanDerWaalsContact O-CB 3.23Å; P1251-N1260 WeakPolarHBondContact O-CB 3.41Å; P1251-N1260 PolarHBondContact O-ND2 3.04Å | ||
| 1252 | S | 83.8 | Confident | 84.1 | Confident | 48 Ų | 48 | 51.4 Ų | 51.4 | 34% | 0.336 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -69.8 | -27.4 | -178.4 | -55.5 | 0 | 0 | 0 | 0 | 113.3 | N1260 K1263 | S1252-N1260 WeakPolarHBondContact O-CB 3.04Å; S1252-N1260 PolarHBondContact O-N 2.9Å; S1252-K1263 PolarHBondContact OG-NZ 2.98Å |
| 1253 | C | 86.1 | Confident | 84.3 | Confident | 69 Ų | 69 | 50.4 Ų | 50.4 | 47% | 0.466 | 32% | 0.316 | S | S | . | . | B | Isolated β-bridge | trans | -125.1 | 147.7 | 171.4 | -59.7 | 0 | 0 | 0 | 0 | 109.8 | P1251 L1258 | P1251-C1253 VanDerWaalsContact C-N 3.31Å; P1251-C1253 PolarHBondContact O-N 3.25Å; C1253-L1258 CarbonylContact C-O 3.58Å; C1253-L1258 WeakPolarHBondContact CA-O 3.25Å |
| 1254 | T | 81.7 | Confident | 84.4 | Confident | 24 Ų | 24 | 50.7 Ų | 50.7 | 15% | 0.147 | 32% | 0.317 | C | S | . | . | trans | -76.2 | 164.9 | 172.1 | 75.4 | 0 | 0 | 0 | 0 | 110.8 | K497 D1256 G1257 L1258 | K497-T1254 HydrophobicContact CB-CG2 4.04Å; K497-T1254 HydrophobicContact CD-CG2 3.73Å; T1254-D1256 PolarHBondContact O-N 3.48Å; T1254-D1256 PolarHBondContact OG1-OD2 3.45Å; T1254-G1257 PolarHBondContact O-N 2.95Å; T1254-L1258 PolarHBondContact N-O 3.34Å | ||
| 1255 | P | 74.8 | Confident | 84.6 | Confident | 126 Ų | 126 | 50.6 Ų | 50.6 | 82% | 0.818 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -23.9 | 176.6 | -27.5 | 37 | 0 | 0 | 0 | 114.4 | G1257 | P1255-G1257 VanDerWaalsContact C-N 3.26Å; P1255-G1257 PolarHBondContact O-N 2.97Å |
| 1256 | D | 79.7 | Confident | 84.9 | Confident | 121 Ų | 121 | 49.3 Ų | 49.3 | 65% | 0.647 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -3.5 | 177.7 | -34.5 | -79.9 | 0 | 0 | 0 | 113.7 | T1254 L1258 | T1254-D1256 PolarHBondContact O-N 3.48Å; T1254-D1256 PolarHBondContact OG1-OD2 3.45Å; D1256-L1258 HydrophobicContact CB-CG 4.33Å |
| 1257 | G | 83.4 | Confident | 85.4 | Confident | 57 Ų | 57 | 48 Ų | 48 | 59% | 0.588 | 30% | 0.302 | S | S | * | . | S | Bend | trans | 82.4 | 12.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115 | T1254 P1255 | T1254-G1257 PolarHBondContact O-N 2.95Å; P1255-G1257 VanDerWaalsContact C-N 3.26Å; P1255-G1257 PolarHBondContact O-N 2.97Å |
| 1258 | L | 90 | Very high | 85.7 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | trans | -86.1 | 144.8 | 176.6 | -57.3 | 178.8 | 0 | 0 | 0 | 110.9 | V460 K497 T499 C1253 T1254 D1256 N1260 | V460-L1258 HydrophobicContact CG1-CD1 4.13Å; K497-L1258 HydrophobicContact CB-CB 4.16Å; K497-L1258 HydrophobicContact CB-CD1 4.49Å; K497-L1258 HydrophobicContact CD-CD1 4.3Å; K497-L1258 HydrophobicContact CG-CD1 4.1Å; T499-L1258 HydrophobicContact CG2-CD2 3.63Å; C1253-L1258 CarbonylContact C-O 3.58Å; C1253-L1258 WeakPolarHBondContact CA-O 3.25Å; T1254-L1258 PolarHBondContact N-O 3.34Å; D1256-L1258 HydrophobicContact CB-CG 4.33Å; L1258-N1260 PolarHBondContact O-N 3.4Å | ||
| 1259 | V | 92.7 | Very high | 86.1 | Confident | 10 Ų | 10 | 47.3 Ų | 47.3 | 6% | 0.061 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 130 | 173.7 | 179 | 0 | 0 | 0 | 0 | 109.4 | K497 G498 P500 L503 F529 F1261 L1264 | K497-V1259 VanDerWaalsContact CA-O 3.22Å; K497-V1259 WeakPolarHBondContact CA-O 3.38Å; G498-V1259 PolarHBondContact N-O 3.18Å; G498-V1259 WeakPolarHBondContact O-CB 3.31Å; G498-V1259 PolarHBondContact O-N 2.7Å; P500-V1259 HydrophobicContact CG-CG2 4.13Å; L503-V1259 HydrophobicContact CD1-CB 3.89Å; L503-V1259 HydrophobicContact CD1-CG1 4.14Å; L503-V1259 HydrophobicContact CD1-CG2 4.38Å; F529-V1259 HydrophobicContact CB-CG1 4.23Å; F529-V1259 HydrophobicContact CB-CG2 3.94Å; F529-V1259 HydrophobicContact CD1-CG1 3.77Å; F529-V1259 HydrophobicContact CD2-CG1 4.48Å; F529-V1259 HydrophobicContact CD2-CG2 4.04Å; F529-V1259 HydrophobicContact CE1-CG1 4.21Å; F529-V1259 HydrophobicContact CG-CG1 3.92Å; F529-V1259 HydrophobicContact CG-CG2 3.98Å; V1259-F1261 PolarHBondContact O-N 3.34Å; V1259-L1264 HydrophobicContact CG1-CD1 3.92Å |
| 1260 | N | 90.3 | Very high | 86.9 | Confident | 18 Ų | 18 | 46.9 Ų | 46.9 | 10% | 0.096 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 92.2 | 178.1 | -180 | -2.5 | 0 | 0 | 0 | 110.7 | P1251 S1252 L1258 V1262 K1263 L1264 | P1251-N1260 VanDerWaalsContact O-CB 3.23Å; P1251-N1260 WeakPolarHBondContact O-CB 3.41Å; P1251-N1260 PolarHBondContact O-ND2 3.04Å; S1252-N1260 WeakPolarHBondContact O-CB 3.04Å; S1252-N1260 PolarHBondContact O-N 2.9Å; L1258-N1260 PolarHBondContact O-N 3.4Å; N1260-V1262 VanDerWaalsContact C-N 3.28Å; N1260-V1262 PolarHBondContact O-N 3.01Å; N1260-V1262 WeakPolarHBondContact OD1-CB 3.43Å; N1260-V1262 PolarHBondContact OD1-N 2.91Å; N1260-V1262 VanDerWaalsContact OD1-N 3.15Å; N1260-K1263 HydrophobicContact CB-CB 4.32Å; N1260-K1263 PolarHBondContact O-N 3.01Å; N1260-K1263 PolarHBondContact OD1-N 3.4Å; N1260-K1263 VanDerWaalsContact OD1-N 3.13Å; N1260-L1264 PolarHBondContact O-N 3.45Å |
| 1261 | F | 91.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -73.5 | -18.3 | 179.9 | -154.6 | -88.8 | 0 | 0 | 0 | 113 | V495 T496 L503 Y518 D521 F522 V1259 L1264 R1265 | V495-F1261 HydrophobicContact CG1-CB 4.1Å; V495-F1261 HydrophobicContact CG1-CG 4.26Å; T496-F1261 WeakPolarHBondContact O-CA 3.43Å; T496-F1261 WeakPolarHBondContact O-CB 3.33Å; T496-F1261 PolarHBondContact O-N 2.9Å; L503-F1261 HydrophobicContact CD1-CD2 4.3Å; L503-F1261 HydrophobicContact CD2-CD2 3.98Å; L503-F1261 HydrophobicContact CD2-CG 4.45Å; Y518-F1261 HydrophobicContact CD2-CD1 4.15Å; Y518-F1261 AromaticContact CD2-CE1 3.42Å; Y518-F1261 HydrophobicContact CD2-CE1 3.42Å; Y518-F1261 VanDerWaalsContact CD2-CE1 3.42Å; Y518-F1261 HydrophobicContact CD2-CE2 4.28Å; Y518-F1261 AromaticContact CD2-CZ 3.5Å; Y518-F1261 HydrophobicContact CD2-CZ 3.5Å; Y518-F1261 HydrophobicContact CE2-CD1 4.05Å; Y518-F1261 HydrophobicContact CE2-CD2 4.14Å; Y518-F1261 AromaticContact CE2-CE1 3.58Å; Y518-F1261 HydrophobicContact CE2-CE1 3.58Å; Y518-F1261 AromaticContact CE2-CE2 3.67Å; Y518-F1261 HydrophobicContact CE2-CE2 3.67Å; Y518-F1261 HydrophobicContact CE2-CG 4.32Å; Y518-F1261 AromaticContact CE2-CZ 3.36Å; Y518-F1261 HydrophobicContact CE2-CZ 3.36Å; Y518-F1261 HydrophobicContact CG-CZ 4.48Å; D521-F1261 HydrophobicContact CB-CE1 4.14Å; D521-F1261 HydrophobicContact CB-CZ 4Å; F522-F1261 HydrophobicContact CB-CE2 4.19Å; F522-F1261 HydrophobicContact CB-CZ 4.13Å; F522-F1261 HydrophobicContact CD2-CE2 4.15Å; V1259-F1261 PolarHBondContact O-N 3.34Å; F1261-L1264 HydrophobicContact CD2-CD1 4.24Å; F1261-L1264 PolarHBondContact O-N 2.89Å; F1261-R1265 WeakPolarHBondContact O-CB 3.1Å; F1261-R1265 PolarHBondContact O-N 3.18Å |
| 1262 | V | 87 | Confident | 88.1 | Confident | 57 Ų | 57 | 43.1 Ų | 43.1 | 35% | 0.345 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.7 | -48.5 | 171.4 | -173.4 | 0 | 0 | 0 | 0 | 110.3 | T496 N1260 L1264 R1265 M1266 | T496-V1262 HydrophobicContact CG2-CG2 4.01Å; T496-V1262 PolarHBondContact O-N 3.07Å; T496-V1262 VanDerWaalsContact O-N 3.16Å; N1260-V1262 VanDerWaalsContact C-N 3.28Å; N1260-V1262 PolarHBondContact O-N 3.01Å; N1260-V1262 WeakPolarHBondContact OD1-CB 3.43Å; N1260-V1262 PolarHBondContact OD1-N 2.91Å; N1260-V1262 VanDerWaalsContact OD1-N 3.15Å; V1262-L1264 VanDerWaalsContact C-N 3.3Å; V1262-L1264 PolarHBondContact O-N 3.41Å; V1262-R1265 PolarHBondContact O-N 3.22Å; V1262-M1266 HydrophobicContact CG1-SD 4.26Å; V1262-M1266 WeakPolarHBondContact O-CG 3.39Å; V1262-M1266 PolarHBondContact O-N 3.13Å |
| 1263 | K | 89.7 | Confident | 88.2 | Confident | 3 Ų | 3 | 43 Ų | 43 | 1% | 0.013 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -53 | -48.2 | 173.5 | 179.3 | -179.5 | -171.8 | 167.3 | 0 | 111.6 | H1247 N1250 S1252 N1260 M1266 L1267 | H1247-K1263 VanDerWaalsContact O-CE 3.23Å; H1247-K1263 WeakPolarHBondContact O-CE 3.09Å; H1247-K1263 PolarHBondContact O-NZ 3.1Å; N1250-K1263 HydrophobicContact CB-CB 3.9Å; N1250-K1263 HydrophobicContact CB-CD 3.88Å; N1250-K1263 HydrophobicContact CB-CG 3.76Å; N1250-K1263 VanDerWaalsContact O-CD 3.32Å; N1250-K1263 WeakPolarHBondContact O-CD 3.49Å; N1250-K1263 VanDerWaalsContact O-CE 3.24Å; N1250-K1263 WeakPolarHBondContact O-CE 3.21Å; N1250-K1263 PolarHBondContact O-NZ 3.3Å; S1252-K1263 PolarHBondContact OG-NZ 2.98Å; N1260-K1263 HydrophobicContact CB-CB 4.32Å; N1260-K1263 PolarHBondContact O-N 3.01Å; N1260-K1263 PolarHBondContact OD1-N 3.4Å; N1260-K1263 VanDerWaalsContact OD1-N 3.13Å; K1263-M1266 PolarHBondContact O-N 3.48Å; K1263-L1267 HydrophobicContact CG-CD1 4.49Å; K1263-L1267 PolarHBondContact O-N 3.37Å; K1263-L1267 VanDerWaalsContact O-N 3.09Å |
| 1264 | L | 92.9 | Very high | 88.4 | Confident | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.3 | -40.5 | -177.5 | -58.2 | -175.1 | 0 | 0 | 0 | 111.9 | T525 F529 F1090 V1259 N1260 F1261 V1262 L1267 A1268 | T525-L1264 HydrophobicContact CG2-CB 4.11Å; T525-L1264 HydrophobicContact CG2-CD2 4.47Å; F529-L1264 HydrophobicContact CD1-CD1 3.68Å; F529-L1264 HydrophobicContact CE1-CD1 3.52Å; F1090-L1264 HydrophobicContact CZ-CD2 4.28Å; V1259-L1264 HydrophobicContact CG1-CD1 3.92Å; N1260-L1264 PolarHBondContact O-N 3.45Å; F1261-L1264 HydrophobicContact CD2-CD1 4.24Å; F1261-L1264 PolarHBondContact O-N 2.89Å; V1262-L1264 VanDerWaalsContact C-N 3.3Å; V1262-L1264 PolarHBondContact O-N 3.41Å; L1264-L1267 PolarHBondContact O-N 2.72Å; L1264-A1268 VanDerWaalsContact O-CB 3.28Å; L1264-A1268 WeakPolarHBondContact O-CB 3.33Å; L1264-A1268 PolarHBondContact O-N 2.83Å |
| 1265 | R | 89.4 | Confident | 88.7 | Confident | 41 Ų | 41 | 39.9 Ų | 39.9 | 16% | 0.155 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65 | -36.7 | 173.2 | -174.4 | 177.9 | -69.7 | 102.9 | -2 | 112.4 | V495 D515 D521 F1261 V1262 K1269 | V495-R1265 PolarHBondContact O-NH1 3.37Å; D515-R1265 IonicContact OD2-CZ 3.65Å; D515-R1265 VanDerWaalsContact OD2-CZ 3.23Å; D515-R1265 IonicContact OD2-NE 2.75Å; D515-R1265 PolarHBondContact OD2-NE 3.35Å; D515-R1265 IonicContact OD2-NH2 3.63Å; D515-R1265 PolarHBondContact OD2-NH2 3.29Å; D521-R1265 IonicContact OD2-NE 3.23Å; F1261-R1265 WeakPolarHBondContact O-CB 3.1Å; F1261-R1265 PolarHBondContact O-N 3.18Å; V1262-R1265 PolarHBondContact O-N 3.22Å; R1265-K1269 VanDerWaalsContact O-CB 3.22Å; R1265-K1269 WeakPolarHBondContact O-CB 3.5Å; R1265-K1269 PolarHBondContact O-N 3.33Å |
| 1266 | M | 88 | Confident | 89.2 | Confident | 75 Ų | 75 | 39.3 Ų | 39.3 | 37% | 0.369 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.5 | -47.2 | 175.1 | -70.8 | 171.9 | 71.3 | 0 | 0 | 111.6 | I1246 V1262 K1263 K1269 E1270 | I1246-M1266 HydrophobicContact CG1-CE 4.37Å; I1246-M1266 HydrophobicContact CG2-CB 3.62Å; I1246-M1266 HydrophobicContact CG2-CE 4.29Å; V1262-M1266 HydrophobicContact CG1-SD 4.26Å; V1262-M1266 WeakPolarHBondContact O-CG 3.39Å; V1262-M1266 PolarHBondContact O-N 3.13Å; K1263-M1266 PolarHBondContact O-N 3.48Å; M1266-K1269 PolarHBondContact O-N 2.71Å; M1266-E1270 PolarHBondContact O-N 3.45Å |
| 1267 | L | 92.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.2 | -47.7 | 175.2 | -67.4 | 173.1 | 0 | 0 | 0 | 111.9 | I1086 I1089 F1090 L1243 I1246 K1263 L1264 K1269 E1270 V1271 | I1086-L1267 HydrophobicContact CD1-CB 4.3Å; I1089-L1267 HydrophobicContact CD1-CD2 4.34Å; F1090-L1267 HydrophobicContact CE2-CD1 3.61Å; F1090-L1267 HydrophobicContact CZ-CD1 4.02Å; L1243-L1267 HydrophobicContact CD2-CD2 3.95Å; I1246-L1267 HydrophobicContact CB-CD2 3.75Å; I1246-L1267 HydrophobicContact CB-CG 4.46Å; I1246-L1267 HydrophobicContact CG2-CD2 3.54Å; I1246-L1267 HydrophobicContact CG2-CG 3.68Å; K1263-L1267 HydrophobicContact CG-CD1 4.49Å; K1263-L1267 PolarHBondContact O-N 3.37Å; K1263-L1267 VanDerWaalsContact O-N 3.09Å; L1264-L1267 PolarHBondContact O-N 2.72Å; L1267-K1269 VanDerWaalsContact C-N 3.29Å; L1267-K1269 PolarHBondContact O-N 2.9Å; L1267-E1270 PolarHBondContact O-N 2.97Å; L1267-E1270 VanDerWaalsContact O-N 3.12Å; L1267-V1271 WeakPolarHBondContact O-CG2 3.26Å; L1267-V1271 PolarHBondContact O-N 3.02Å |
| 1268 | A | 93.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.3 | -30.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | D521 L524 T525 L1264 R1272 | D521-A1268 HydrophobicContact CB-CB 3.94Å; D521-A1268 WeakPolarHBondContact OD1-CB 3.42Å; L524-A1268 HydrophobicContact CD2-CB 3.93Å; T525-A1268 HydrophobicContact CG2-CB 4.37Å; L1264-A1268 VanDerWaalsContact O-CB 3.28Å; L1264-A1268 WeakPolarHBondContact O-CB 3.33Å; L1264-A1268 PolarHBondContact O-N 2.83Å; A1268-R1272 WeakPolarHBondContact O-CB 3.39Å; A1268-R1272 PolarHBondContact O-N 2.81Å; A1268-R1272 PolarHBondContact O-NH1 2.79Å |
| 1269 | K | 89.8 | Confident | 88.9 | Confident | 147 Ų | 147 | 38 Ų | 38 | 64% | 0.639 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -62.2 | -46.4 | 170.6 | 179 | -172.3 | 172.4 | -166.5 | 0 | 111 | R1265 M1266 L1267 S1273 | R1265-K1269 VanDerWaalsContact O-CB 3.22Å; R1265-K1269 WeakPolarHBondContact O-CB 3.5Å; R1265-K1269 PolarHBondContact O-N 3.33Å; M1266-K1269 PolarHBondContact O-N 2.71Å; L1267-K1269 VanDerWaalsContact C-N 3.29Å; L1267-K1269 PolarHBondContact O-N 2.9Å; K1269-S1273 PolarHBondContact O-N 3.06Å |
| 1270 | E | 90.6 | Very high | 88.3 | Confident | 55 Ų | 55 | 40.2 Ų | 40.2 | 26% | 0.257 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -75 | -44.1 | -177.2 | -158 | 53.7 | -124.4 | 0 | 0 | 112.1 | L1243 I1246 M1266 L1267 R1272 S1273 I1274 | L1243-E1270 HydrophobicContact CD2-CB 4.08Å; L1243-E1270 HydrophobicContact CD2-CG 4.4Å; I1246-E1270 HydrophobicContact CD1-CB 4.48Å; M1266-E1270 PolarHBondContact O-N 3.45Å; L1267-E1270 PolarHBondContact O-N 2.97Å; L1267-E1270 VanDerWaalsContact O-N 3.12Å; E1270-R1272 PolarHBondContact O-N 3.43Å; E1270-S1273 VanDerWaalsContact O-CA 3.28Å; E1270-S1273 WeakPolarHBondContact O-CA 3.37Å; E1270-S1273 WeakPolarHBondContact O-CB 3.17Å; E1270-S1273 PolarHBondContact O-N 2.83Å; E1270-S1273 WeakPolarHBondContact OE1-CB 3.3Å; E1270-I1274 WeakPolarHBondContact O-CG1 3.41Å; E1270-I1274 PolarHBondContact O-N 2.76Å |
| 1271 | V | 93.6 | Very high | 87.7 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56 | -41.6 | 172.1 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | L524 Y1085 I1086 L1243 L1267 S1273 I1274 C1275 | L524-V1271 HydrophobicContact CD2-CB 4.08Å; L524-V1271 HydrophobicContact CD2-CG1 3.9Å; Y1085-V1271 HydrophobicContact CD2-CG1 4.34Å; I1086-V1271 HydrophobicContact CD1-CG2 4.08Å; L1243-V1271 HydrophobicContact CD2-CG2 3.96Å; L1267-V1271 WeakPolarHBondContact O-CG2 3.26Å; L1267-V1271 PolarHBondContact O-N 3.02Å; V1271-S1273 VanDerWaalsContact C-N 3.28Å; V1271-S1273 PolarHBondContact O-N 3.34Å; V1271-I1274 PolarHBondContact O-N 2.98Å; V1271-C1275 WeakPolarHBondContact O-CB 3.41Å; V1271-C1275 PolarHBondContact O-N 3.38Å; V1271-C1275 PolarHBondContact O-SG 2.76Å |
| 1272 | R | 89.6 | Confident | 87.2 | Confident | 41 Ų | 41 | 43.7 Ų | 43.7 | 16% | 0.155 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.5 | -28.3 | 173.8 | -172.1 | -171 | -74.2 | 106.4 | -23.5 | 112.5 | E520 D521 A1268 E1270 R1276 | E520-R1272 IonicContact OE2-CZ 2.71Å; E520-R1272 IonicContact OE2-NE 3.81Å; E520-R1272 PolarHBondContact OE2-NE 2.89Å; E520-R1272 IonicContact OE2-NH2 3.23Å; E520-R1272 PolarHBondContact OE2-NH2 2.78Å; D521-R1272 IonicContact OD1-CZ 2.78Å; D521-R1272 IonicContact OD1-NH1 2.76Å; D521-R1272 PolarHBondContact OD1-NH1 3.49Å; D521-R1272 IonicContact OD1-NH2 3.32Å; D521-R1272 PolarHBondContact OD1-NH2 2.65Å; A1268-R1272 WeakPolarHBondContact O-CB 3.39Å; A1268-R1272 PolarHBondContact O-N 2.81Å; A1268-R1272 PolarHBondContact O-NH1 2.79Å; E1270-R1272 PolarHBondContact O-N 3.43Å; R1272-R1276 WeakPolarHBondContact O-CD 3.38Å; R1272-R1276 WeakPolarHBondContact O-CG 3.5Å; R1272-R1276 PolarHBondContact O-N 2.85Å |
| 1273 | S | 86.9 | Confident | 86.6 | Confident | 45 Ų | 45 | 44 Ų | 44 | 32% | 0.315 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.7 | -55.5 | 171.4 | -153.9 | 0 | 0 | 0 | 0 | 110.6 | K1269 E1270 V1271 C1275 R1276 | K1269-S1273 PolarHBondContact O-N 3.06Å; E1270-S1273 VanDerWaalsContact O-CA 3.28Å; E1270-S1273 WeakPolarHBondContact O-CA 3.37Å; E1270-S1273 WeakPolarHBondContact O-CB 3.17Å; E1270-S1273 PolarHBondContact O-N 2.83Å; E1270-S1273 WeakPolarHBondContact OE1-CB 3.3Å; V1271-S1273 VanDerWaalsContact C-N 3.28Å; V1271-S1273 PolarHBondContact O-N 3.34Å; S1273-C1275 VanDerWaalsContact C-N 3.31Å; S1273-C1275 PolarHBondContact O-N 2.78Å; S1273-R1276 WeakPolarHBondContact O-CB 3.42Å; S1273-R1276 PolarHBondContact O-N 2.81Å |
| 1274 | I | 90.4 | Very high | 85.7 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -53.8 | -48.5 | 176.4 | -52.3 | 162.7 | 0 | 0 | 0 | 110.6 | F1077 Y1085 V1239 L1243 E1270 V1271 R1276 M1277 | F1077-I1274 HydrophobicContact CE2-CG2 3.54Å; F1077-I1274 HydrophobicContact CZ-CG2 3.61Å; Y1085-I1274 HydrophobicContact CD1-CD1 4.38Å; Y1085-I1274 HydrophobicContact CE1-CD1 4.16Å; Y1085-I1274 HydrophobicContact CE2-CD1 4.43Å; Y1085-I1274 HydrophobicContact CE2-CG2 4.42Å; V1239-I1274 HydrophobicContact CG1-CD1 3.21Å; V1239-I1274 HydrophobicContact CG1-CG1 3.63Å; L1243-I1274 HydrophobicContact CD1-CD1 4.04Å; E1270-I1274 WeakPolarHBondContact O-CG1 3.41Å; E1270-I1274 PolarHBondContact O-N 2.76Å; V1271-I1274 PolarHBondContact O-N 2.98Å; I1274-R1276 PolarHBondContact O-N 3.35Å; I1274-R1276 VanDerWaalsContact O-N 3.08Å; I1274-M1277 VanDerWaalsContact O-CB 3.31Å; I1274-M1277 WeakPolarHBondContact O-CB 3.44Å; I1274-M1277 PolarHBondContact O-N 3.42Å |
| 1275 | C | 87.2 | Confident | 83.9 | Confident | 25 Ų | 25 | 50.4 Ų | 50.4 | 17% | 0.169 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.1 | -21.6 | -179.2 | -67.6 | 0 | 0 | 0 | 0 | 113.4 | V1271 S1273 M1277 N1279 | V1271-C1275 WeakPolarHBondContact O-CB 3.41Å; V1271-C1275 PolarHBondContact O-N 3.38Å; V1271-C1275 PolarHBondContact O-SG 2.76Å; S1273-C1275 VanDerWaalsContact C-N 3.31Å; S1273-C1275 PolarHBondContact O-N 2.78Å; C1275-M1277 VanDerWaalsContact C-N 3.28Å; C1275-N1279 VanDerWaalsContact O-CB 3.3Å; C1275-N1279 WeakPolarHBondContact O-CB 3.22Å; C1275-N1279 VanDerWaalsContact O-CG 3.29Å; C1275-N1279 PolarHBondContact O-N 3.46Å; C1275-N1279 PolarHBondContact O-ND2 3.49Å |
| 1276 | R | 84.3 | Confident | 81.9 | Confident | 115 Ų | 115 | 52.4 Ų | 52.4 | 43% | 0.434 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -76.8 | -16 | 175 | -68.2 | 152 | 174.1 | -174.4 | -3.1 | 112.6 | A1230 R1272 S1273 I1274 | A1230-R1276 WeakPolarHBondContact CB-O 3.17Å; R1272-R1276 WeakPolarHBondContact O-CD 3.38Å; R1272-R1276 WeakPolarHBondContact O-CG 3.5Å; R1272-R1276 PolarHBondContact O-N 2.85Å; S1273-R1276 WeakPolarHBondContact O-CB 3.42Å; S1273-R1276 PolarHBondContact O-N 2.81Å; I1274-R1276 PolarHBondContact O-N 3.35Å; I1274-R1276 VanDerWaalsContact O-N 3.08Å |
| 1277 | M | 86.4 | Confident | 80 | Confident | 24 Ų | 24 | 49.9 Ų | 49.9 | 12% | 0.118 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -87.9 | -33.3 | -179.2 | -52.9 | 166.4 | 99.6 | 0 | 0 | 111.8 | Y1074 F1077 L1223 M1232 P1234 I1274 C1275 | Y1074-M1277 PolarHBondContact OH-O 2.82Å; F1077-M1277 HydrophobicContact CE1-CB 4.16Å; F1077-M1277 HydrophobicContact CZ-CB 4.31Å; L1223-M1277 HydrophobicContact CD1-CE 4.39Å; L1223-M1277 HydrophobicContact CD2-CE 3.87Å; M1232-M1277 HydrophobicContact CG-CB 4.14Å; M1232-M1277 HydrophobicContact CG-CE 3.75Å; M1232-M1277 HydrophobicContact CG-CG 4.24Å; M1232-M1277 HydrophobicContact SD-CE 3.46Å; M1232-M1277 WeakPolarHBondContact SD-CE 3.42Å; P1234-M1277 HydrophobicContact CB-CE 3.81Å; P1234-M1277 HydrophobicContact CB-SD 4.19Å; P1234-M1277 HydrophobicContact CG-CE 4.06Å; P1234-M1277 HydrophobicContact CG-SD 3.87Å; I1274-M1277 VanDerWaalsContact O-CB 3.31Å; I1274-M1277 WeakPolarHBondContact O-CB 3.44Å; I1274-M1277 PolarHBondContact O-N 3.42Å; C1275-M1277 VanDerWaalsContact C-N 3.28Å |
| 1278 | C | 82.9 | Confident | 77.5 | Confident | 12 Ų | 12 | 52.2 Ų | 52.2 | 8% | 0.081 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -91.5 | -14.1 | -180 | 68.5 | 0 | 0 | 0 | 0 | 115.4 | Y1074 F1077 R1078 V1280 | Y1074-C1278 VanDerWaalsContact OH-C 3.3Å; Y1074-C1278 VanDerWaalsContact OH-CA 3.25Å; Y1074-C1278 WeakPolarHBondContact OH-CA 3.39Å; Y1074-C1278 PolarHBondContact OH-O 3.48Å; F1077-C1278 HydrophobicContact CD1-CB 3.79Å; F1077-C1278 HydrophobicContact CE1-CB 3.59Å; F1077-C1278 HydrophobicContact CZ-CB 4.18Å; R1078-C1278 HydrophobicContact CB-CB 4.34Å; C1278-V1280 PolarHBondContact O-N 3.48Å |
| 1279 | N | 77.9 | Confident | 74.7 | Confident | 120 Ų | 120 | 60.3 Ų | 60.3 | 64% | 0.642 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -84.3 | 25.5 | -174.9 | -88.3 | -43.1 | 0 | 0 | 0 | 115 | C1275 | C1275-N1279 VanDerWaalsContact O-CB 3.3Å; C1275-N1279 WeakPolarHBondContact O-CB 3.22Å; C1275-N1279 VanDerWaalsContact O-CG 3.29Å; C1275-N1279 PolarHBondContact O-N 3.46Å; C1275-N1279 PolarHBondContact O-ND2 3.49Å |
| 1280 | V | 79.9 | Confident | 72.2 | Confident | 58 Ų | 58 | 60.2 Ų | 60.2 | 35% | 0.352 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -129.2 | 149.6 | 176.8 | -172.9 | 0 | 0 | 0 | 0 | 108.8 | Y1074 A1230 P1231 C1278 | Y1074-V1280 VanDerWaalsContact CE1-O 3.29Å; Y1074-V1280 WeakPolarHBondContact CE1-O 3.31Å; Y1074-V1280 PolarHBondContact OH-O 2.79Å; A1230-V1280 HydrophobicContact CB-CB 4.47Å; A1230-V1280 HydrophobicContact CB-CG2 3.81Å; P1231-V1280 HydrophobicContact CB-CB 4.21Å; P1231-V1280 HydrophobicContact CB-CG1 4.48Å; P1231-V1280 HydrophobicContact CG-CG1 4.41Å; C1278-V1280 PolarHBondContact O-N 3.48Å |
| 1281 | D | 78.8 | Confident | 69.5 | Low | 56 Ų | 56 | 59.6 Ų | 59.6 | 30% | 0.299 | 32% | 0.322 | S | S | . | . | trans | -79.6 | 132.7 | 176.7 | -63.1 | -61.6 | 0 | 0 | 0 | 110.6 | T931 R1078 D1283 | T931-D1281 HydrophobicContact CG2-CB 4.29Å; R1078-D1281 IonicContact CZ-OD1 2.9Å; R1078-D1281 VanDerWaalsContact CZ-OD1 3.22Å; R1078-D1281 IonicContact NH1-OD1 3.75Å; R1078-D1281 PolarHBondContact NH1-OD1 3.05Å; R1078-D1281 IonicContact NH2-OD1 3.85Å; R1078-D1281 PolarHBondContact NH2-OD1 2.73Å; D1281-D1283 PolarHBondContact O-N 3.42Å | ||
| 1282 | Y | 80.9 | Confident | 66.5 | Low | 34 Ų | 34 | 68.7 Ų | 68.7 | 13% | 0.133 | 36% | 0.356 | C | S | . | . | trans | -80.8 | 99.5 | -175.6 | -163.3 | -72 | 0 | 0 | 0 | 111.9 | T1070 I1071 Y1074 L1167 P1231 L1284 | T1070-Y1282 HydrophobicContact CG2-CD2 4.36Å; T1070-Y1282 HydrophobicContact CG2-CE1 4.1Å; T1070-Y1282 HydrophobicContact CG2-CE2 3.62Å; T1070-Y1282 VanDerWaalsContact CG2-CZ 3.5Å; I1071-Y1282 HydrophobicContact CG1-CD1 4.42Å; Y1074-Y1282 HydrophobicContact CD1-CD2 4.4Å; Y1074-Y1282 HydrophobicContact CD2-CD2 4.04Å; Y1074-Y1282 HydrophobicContact CE2-CD2 4.37Å; Y1074-Y1282 HydrophobicContact CG-CD2 4.06Å; Y1074-Y1282 HydrophobicContact CG-CG 4.5Å; L1167-Y1282 PolarHBondContact O-OH 2.97Å; P1231-Y1282 HydrophobicContact CB-CD2 3.81Å; P1231-Y1282 HydrophobicContact CB-CE2 4.44Å; P1231-Y1282 HydrophobicContact CB-CG 4.47Å; P1231-Y1282 HydrophobicContact CG-CD2 3.94Å; P1231-Y1282 HydrophobicContact CG-CE2 4.38Å; P1231-Y1282 HydrophobicContact CG-CG 4.36Å; Y1282-L1284 HydrophobicContact CD1-CG 4.46Å; Y1282-L1284 HydrophobicContact CE1-CD2 3.85Å; Y1282-L1284 HydrophobicContact CE1-CG 4.14Å | ||
| 1283 | D | 74.3 | Confident | 63.8 | Low | 65 Ų | 65 | 71.7 Ų | 71.7 | 35% | 0.348 | 38% | 0.379 | S | S | . | . | trans | -99.5 | 107.1 | 174.3 | 176.3 | 37.2 | 0 | 0 | 0 | 113.2 | D1281 C1285 T1286 T1287 | D1281-D1283 PolarHBondContact O-N 3.42Å; D1283-C1285 PolarHBondContact O-N 3.44Å; D1283-C1285 WeakPolarHBondContact OD1-CB 3.3Å; D1283-C1285 PolarHBondContact OD1-N 3.02Å; D1283-C1285 WeakPolarHBondContact OD2-CB 3.5Å; D1283-T1286 PolarHBondContact O-N 3.32Å; D1283-T1286 WeakPolarHBondContact OD2-CB 3.26Å; D1283-T1286 PolarHBondContact OD2-N 3.32Å; D1283-T1286 PolarHBondContact OD2-OG1 3.08Å; D1283-T1287 PolarHBondContact O-N 3.21Å | ||
| 1284 | L | 71.2 | Confident | 61.2 | Low | 53 Ų | 53 | 71.2 Ų | 71.2 | 28% | 0.277 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58 | -25.4 | 171.5 | -75.7 | 170.5 | 0 | 0 | 0 | 113.8 | A1067 I1071 L1167 Y1282 T1286 A1288 | A1067-L1284 HydrophobicContact CB-CD1 3.95Å; A1067-L1284 HydrophobicContact CB-CD2 3.75Å; I1071-L1284 HydrophobicContact CD1-CD1 3.5Å; I1071-L1284 HydrophobicContact CD1-CG 4.09Å; I1071-L1284 HydrophobicContact CG1-CD1 4.43Å; L1167-L1284 HydrophobicContact CD2-CD2 3.89Å; Y1282-L1284 HydrophobicContact CD1-CG 4.46Å; Y1282-L1284 HydrophobicContact CE1-CD2 3.85Å; Y1282-L1284 HydrophobicContact CE1-CG 4.14Å; L1284-T1286 VanDerWaalsContact C-N 3.33Å; L1284-A1288 VanDerWaalsContact O-CB 3.31Å; L1284-A1288 WeakPolarHBondContact O-CB 3.29Å; L1284-A1288 PolarHBondContact O-N 3Å |
| 1285 | C | 53.8 | Low | 58 | Low | 89 Ų | 89 | 74.7 Ų | 74.7 | 60% | 0.601 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -73.6 | -28.6 | -176.6 | -139.5 | 0 | 0 | 0 | 0 | 112 | D1283 Y1289 | D1283-C1285 PolarHBondContact O-N 3.44Å; D1283-C1285 WeakPolarHBondContact OD1-CB 3.3Å; D1283-C1285 PolarHBondContact OD1-N 3.02Å; D1283-C1285 WeakPolarHBondContact OD2-CB 3.5Å; C1285-Y1289 WeakPolarHBondContact O-CD2 3.34Å |
| 1286 | T | 47.2 | Very low | 55 | Low | 83 Ų | 83 | 76.4 Ų | 76.4 | 51% | 0.509 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -88.5 | -37.3 | -179.7 | -60.4 | 0 | 0 | 0 | 0 | 112.8 | D1283 L1284 H1290 | D1283-T1286 PolarHBondContact O-N 3.32Å; D1283-T1286 WeakPolarHBondContact OD2-CB 3.26Å; D1283-T1286 PolarHBondContact OD2-N 3.32Å; D1283-T1286 PolarHBondContact OD2-OG1 3.08Å; L1284-T1286 VanDerWaalsContact C-N 3.33Å; T1286-H1290 PolarHBondContact O-ND1 3.44Å; T1286-H1290 VanDerWaalsContact O-ND1 3.07Å |
| 1287 | T | 48.1 | Very low | 52.4 | Low | 21 Ų | 21 | 77.6 Ų | 77.6 | 13% | 0.129 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -70 | -45.4 | 178.5 | 54.5 | 0 | 0 | 0 | 0 | 112.3 | D1283 Y1289 H1290 | D1283-T1287 PolarHBondContact O-N 3.21Å; T1287-Y1289 PolarHBondContact O-N 3.03Å; T1287-H1290 PolarHBondContact O-N 3.44Å; T1287-H1290 VanDerWaalsContact O-N 3.09Å |
| 1288 | A | 41 | Very low | 49.4 | Very low | 50 Ų | 50 | 80 Ų | 80 | 41% | 0.413 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.8 | -13.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115 | L1284 | L1284-A1288 VanDerWaalsContact O-CB 3.31Å; L1284-A1288 WeakPolarHBondContact O-CB 3.29Å; L1284-A1288 PolarHBondContact O-N 3Å |
| 1289 | Y | 33.1 | Very low | 46.6 | Very low | 170 Ų | 170 | 91.4 Ų | 91.4 | 67% | 0.667 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -81.7 | -33.5 | 173.9 | -103.6 | -87.9 | 0 | 0 | 0 | 113.1 | C1285 T1287 R1292 | C1285-Y1289 WeakPolarHBondContact O-CD2 3.34Å; T1287-Y1289 PolarHBondContact O-N 3.03Å; Y1289-R1292 PolarHBondContact O-N 3.09Å |
| 1290 | H | 38.2 | Very low | 44.2 | Very low | 145 Ų | 145 | 90.2 Ų | 90.2 | 67% | 0.671 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.1 | -40 | -179.6 | -74.7 | 80 | 0 | 0 | 0 | 111.8 | T1286 T1287 R1292 | T1286-H1290 PolarHBondContact O-ND1 3.44Å; T1286-H1290 VanDerWaalsContact O-ND1 3.07Å; T1287-H1290 PolarHBondContact O-N 3.44Å; T1287-H1290 VanDerWaalsContact O-N 3.09Å; H1290-R1292 PolarHBondContact O-N 3.07Å |
| 1291 | G | 33.6 | Very low | 41.5 | Very low | 41 Ų | 41 | 100 Ų | 100 | 42% | 0.423 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -71.4 | -3.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 1292 | R | 31.2 | Very low | 39 | Very low | 193 Ų | 193 | 102 Ų | 102 | 73% | 0.728 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -111.5 | -17.2 | -174 | -76.4 | -166.8 | -178.7 | -154.5 | 3.2 | 116.3 | Y1289 H1290 A1294 | Y1289-R1292 PolarHBondContact O-N 3.09Å; H1290-R1292 PolarHBondContact O-N 3.07Å; R1292-A1294 VanDerWaalsContact C-N 3.33Å |
| 1293 | V | 33.5 | Very low | 36.3 | Very low | 103 Ų | 103 | 104.7 Ų | 104.7 | 62% | 0.624 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -73.3 | -31.8 | 178.3 | -178.4 | 0 | 0 | 0 | 0 | 110.9 | D225 G1295 | D225-V1293 VanDerWaalsContact OD2-CB 3.27Å; D225-V1293 WeakPolarHBondContact OD2-CB 3.42Å; D225-V1293 WeakPolarHBondContact OD2-CG1 3.39Å; V1293-G1295 PolarHBondContact O-N 3.37Å; V1293-G1295 VanDerWaalsContact O-N 3.08Å |
| 1294 | A | 30.4 | Very low | 34.1 | Very low | 36 Ų | 36 | 106.2 Ų | 106.2 | 30% | 0.298 | 65% | 0.65 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.1 | -24.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | D225 R1292 G1296 | D225-A1294 HydrophobicContact CB-CB 3.88Å; D225-A1294 VanDerWaalsContact N-CB 3.28Å; D225-A1294 WeakPolarHBondContact OD2-CA 3.44Å; D225-A1294 PolarHBondContact OD2-N 3.26Å; R1292-A1294 VanDerWaalsContact C-N 3.33Å; A1294-G1296 PolarHBondContact O-N 3.29Å |
| 1295 | G | 23.5 | Very low | 31.9 | Very low | 76 Ų | 76 | 111.3 Ų | 111.3 | 78% | 0.784 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -73.1 | 20.4 | -166.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | V1293 | V1293-G1295 PolarHBondContact O-N 3.37Å; V1293-G1295 VanDerWaalsContact O-N 3.08Å |
| 1296 | G | 24.4 | Very low | 30.7 | Very low | 60 Ų | 60 | 113.2 Ų | 113.2 | 62% | 0.619 | 68% | 0.681 | S | S | * | * | trans | 93.1 | 122.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | A1294 | A1294-G1296 PolarHBondContact O-N 3.29Š| ||
| 1297 | V | 29.2 | Very low | 29.6 | Very low | 140 Ų | 140 | 114.9 Ų | 114.9 | 85% | 0.848 | 70% | 0.696 | S | S | * | * | trans | -136.2 | 100.3 | 153.4 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | R1299 | V1297-R1299 PolarHBondContact O-N 3.21Š| ||
| 1298 | G | 25 | Very low | 28.5 | Very low | 76 Ų | 76 | 117.9 Ų | 117.9 | 78% | 0.784 | 72% | 0.723 | S | S | * | * | trans | -76.5 | 115.9 | 169 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1299 | R | 24.1 | Very low | 27.8 | Very low | 250 Ų | 250 | 121.3 Ų | 121.3 | 94% | 0.943 | 73% | 0.734 | S | S | * | * | trans | 42.6 | 97.2 | 164.3 | -71.9 | -178.2 | 169.4 | 178.8 | -1.7 | 117.9 | V1297 | V1297-R1299 PolarHBondContact O-N 3.21Š| ||
| 1300 | A | 26.7 | Very low | 27.4 | Very low | 95 Ų | 95 | 122.7 Ų | 122.7 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | trans | -134.8 | 116.8 | 141.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1301 | R | 23 | Very low | 26.7 | Very low | 263 Ų | 263 | 119.6 Ų | 119.6 | 99% | 0.992 | 74% | 0.743 | S | S | * | * | trans | -90.4 | 107 | 175.7 | -101.6 | -175.3 | 171.8 | 174.9 | -2.3 | 109.8 | ||||
| 1302 | A | 27 | Very low | 26.3 | Very low | 99 Ų | 99 | 124.1 Ų | 124.1 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -141.8 | 115.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1303 | G | 24.7 | Very low | 26 | Very low | 90 Ų | 90 | 118.8 Ų | 118.8 | 93% | 0.928 | 76% | 0.759 | S | S | * | * | trans | -93.1 | 119.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1304 | A | 26.5 | Very low | 25.5 | Very low | 98 Ų | 98 | 117.4 Ų | 117.4 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | trans | -144 | 144.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | L1306 | A1304-L1306 PolarHBondContact O-N 3.37Š| ||
| 1305 | N | 26 | Very low | 25.2 | Very low | 159 Ų | 159 | 122.4 Ų | 122.4 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | -70.7 | 129 | -168.4 | -64.6 | -53.3 | 0 | 0 | 0 | 113.1 | ||||
| 1306 | L | 28 | Very low | 25.2 | Very low | 129 Ų | 129 | 123.9 Ų | 123.9 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | trans | -110 | 51.1 | 170.1 | -162.9 | 68.5 | 0 | 0 | 0 | 112.6 | A1304 A1308 L1309 | A1304-L1306 PolarHBondContact O-N 3.37Å; L1306-A1308 PolarHBondContact O-N 3.42Å; L1306-L1309 HydrophobicContact CD1-CD1 4.4Å; L1306-L1309 HydrophobicContact CD2-CB 4.31Å; L1306-L1309 HydrophobicContact CD2-CD1 4.42Å; L1306-L1309 HydrophobicContact CG-CB 4.34Å | ||
| 1307 | S | 24.6 | Very low | 25.1 | Very low | 118 Ų | 118 | 126 Ų | 126 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 47.5 | 168.5 | 58.1 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1308 | A | 25 | Very low | 24.9 | Very low | 84 Ų | 84 | 127 Ų | 127 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.1 | -3.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | L1306 | L1306-A1308 PolarHBondContact O-N 3.42Š|
| 1309 | L | 25.4 | Very low | 24.8 | Very low | 122 Ų | 122 | 128.2 Ų | 128.2 | 64% | 0.639 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -122.9 | 16.1 | -177.5 | -106.6 | 169.3 | 0 | 0 | 0 | 114.4 | L1306 | L1306-L1309 HydrophobicContact CD1-CD1 4.4Å; L1306-L1309 HydrophobicContact CD2-CB 4.31Å; L1306-L1309 HydrophobicContact CD2-CD1 4.42Å; L1306-L1309 HydrophobicContact CG-CB 4.34Å |
| 1310 | K | 25.4 | Very low | 24.8 | Very low | 200 Ų | 200 | 121.4 Ų | 121.4 | 87% | 0.87 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -105.4 | 27.7 | -175.3 | -151.1 | 174.7 | -176.8 | 177.4 | 0 | 113.9 | ||
| 1311 | A | 23.7 | Very low | 24.7 | Very low | 80 Ų | 80 | 122 Ų | 122 | 66% | 0.661 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -132.8 | 1.3 | -169 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 1312 | V | 24.5 | Very low | 24.7 | Very low | 136 Ų | 136 | 111.5 Ų | 111.5 | 82% | 0.824 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -126.5 | -7.3 | 177.7 | -168.7 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1313 | A | 24.9 | Very low | 24.5 | Very low | 81 Ų | 81 | 115.8 Ų | 115.8 | 67% | 0.669 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -102.8 | 26.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1314 | S | 23.3 | Very low | 24.4 | Very low | 74 Ų | 74 | 118.1 Ų | 118.1 | 52% | 0.517 | 69% | 0.693 | S | S | . | * | S | Bend | trans | -129.2 | 29.6 | -169.8 | 60.1 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1315 | V | 24 | Very low | 24.2 | Very low | 141 Ų | 141 | 116.6 Ų | 116.6 | 86% | 0.855 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -138.4 | 40.3 | 173 | -159.5 | 0 | 0 | 0 | 0 | 110.8 | ||
| 1316 | S | 23.3 | Very low | 24.1 | Very low | 107 Ų | 107 | 114 Ų | 114 | 75% | 0.748 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -152.6 | 34.4 | -179.9 | 63.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1317 | S | 22.7 | Very low | 23.9 | Very low | 105 Ų | 105 | 115.2 Ų | 115.2 | 73% | 0.734 | 67% | 0.668 | S | S | * | * | trans | -147.1 | 34.5 | -177.1 | 55 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1318 | I | 24.5 | Very low | 23.8 | Very low | 160 Ų | 160 | 115 Ų | 115 | 82% | 0.821 | 66% | 0.662 | S | S | * | * | trans | -93.3 | 107.7 | 169.3 | -61.8 | -179.2 | 0 | 0 | 0 | 109.1 | P1320 | I1318-P1320 WeakPolarHBondContact O-CD 3.49Š| ||
| 1319 | N | 24.4 | Very low | 23.7 | Very low | 102 Ų | 102 | 115.5 Ų | 115.5 | 55% | 0.545 | 66% | 0.657 | S | S | . | * | trans | -69.2 | 112.4 | 175.6 | -173.7 | 2.6 | 0 | 0 | 0 | 109.9 | K1321 | N1319-K1321 PolarHBondContact O-N 2.84Å; N1319-K1321 WeakPolarHBondContact OD1-CD 3.42Å | ||
| 1320 | P | 23.8 | Very low | 23.7 | Very low | 107 Ų | 107 | 115.5 Ų | 115.5 | 70% | 0.695 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | 56.2 | -171.1 | 34.7 | -36.7 | 0 | 0 | 0 | 112 | I1318 | I1318-P1320 WeakPolarHBondContact O-CD 3.49Š|
| 1321 | K | 23.7 | Very low | 23.6 | Very low | 107 Ų | 107 | 111.7 Ų | 111.7 | 47% | 0.465 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -139.6 | -5.9 | -174.1 | -63.6 | 177.5 | -166.6 | 150.6 | 0 | 114.8 | N1319 | N1319-K1321 PolarHBondContact O-N 2.84Å; N1319-K1321 WeakPolarHBondContact OD1-CD 3.42Å |
| 1322 | S | 23 | Very low | 23.6 | Very low | 42 Ų | 42 | 114.2 Ų | 114.2 | 29% | 0.294 | 65% | 0.648 | S | S | . | * | S | Bend | trans | -106 | 9 | -174.4 | 50.4 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1323 | Y | 23.1 | Very low | 23.6 | Very low | 189 Ų | 189 | 117.1 Ų | 117.1 | 74% | 0.741 | 65% | 0.65 | S | S | * | * | trans | -132.1 | 54.3 | -179.2 | -77.2 | -72.9 | 0 | 0 | 0 | 114.5 | ||||
| 1324 | F | 23.6 | Very low | 23.6 | Very low | 139 Ų | 139 | 117.7 Ų | 117.7 | 61% | 0.61 | 65% | 0.649 | S | S | * | * | trans | -139.2 | 70.6 | 151.1 | -103.5 | -71 | 0 | 0 | 0 | 110 | I516 | I516-F1324 WeakPolarHBondContact CD1-O 3.33Å; I516-F1324 HydrophobicContact CG2-CB 4.3Å | ||
| 1325 | S | 22.3 | Very low | 23.7 | Very low | 66 Ų | 66 | 118.4 Ų | 118.4 | 46% | 0.462 | 64% | 0.644 | S | S | . | * | trans | -146.6 | 135.7 | 166.7 | 57 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1326 | N | 22.9 | Very low | 23.8 | Very low | 106 Ų | 106 | 116.7 Ų | 116.7 | 57% | 0.567 | 63% | 0.634 | S | S | * | * | trans | 62.8 | 102.9 | 179.2 | -61.1 | -54.8 | 0 | 0 | 0 | 118.3 | K490 | K490-N1326 WeakPolarHBondContact CE-OD1 3.42Å; K490-N1326 PolarHBondContact NZ-OD1 3.38Å | ||
| 1327 | L | 23.8 | Very low | 24 | Very low | 153 Ų | 153 | 116.3 Ų | 116.3 | 80% | 0.801 | 62% | 0.623 | S | S | * | * | 168.1 | 98.3 | 107.3 | -89.5 | 163.1 | 0 | 0 | 0 | 113.1 | |||||
| 1328 | T | 23.2 | Very low | 24.3 | Very low | 113 Ų | 113 | 118.5 Ų | 118.5 | 69% | 0.693 | 62% | 0.622 | S | S | * | * | trans | -143.5 | 51 | 166.5 | 43.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 1329 | T | 23.3 | Very low | 24.5 | Very low | 95 Ų | 95 | 116.4 Ų | 116.4 | 58% | 0.583 | 61% | 0.612 | S | S | * | * | trans | -161.6 | 138.2 | 159.5 | -12.4 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 1330 | I | 23.7 | Very low | 24.7 | Very low | 122 Ų | 122 | 117 Ų | 117 | 63% | 0.626 | 62% | 0.616 | S | S | * | * | cis | -133.8 | 153.1 | 22.8 | -65.8 | 158.3 | 0 | 0 | 0 | 109.7 | ||||
| 1331 | N | 24.3 | Very low | 24.9 | Very low | 120 Ų | 120 | 118.3 Ų | 118.3 | 64% | 0.642 | 62% | 0.616 | S | S | * | * | trans | -115.4 | 150.1 | 157 | -105.6 | 7 | 0 | 0 | 0 | 110.1 | ||||
| 1332 | N | 24.4 | Very low | 25.2 | Very low | 133 Ų | 133 | 119.2 Ų | 119.2 | 71% | 0.711 | 63% | 0.626 | S | S | * | * | trans | 67.3 | 104.4 | 166.6 | -55.5 | 4.2 | 0 | 0 | 0 | 118.1 | ||||
| 1333 | F | 24.1 | Very low | 25.5 | Very low | 198 Ų | 198 | 124.2 Ų | 124.2 | 87% | 0.868 | 65% | 0.65 | S | S | * | * | -149.6 | 155.2 | 103.5 | -112.5 | -80.4 | 0 | 0 | 0 | 109.1 | |||||
| 1334 | S | 24 | Very low | 25.7 | Very low | 92 Ų | 92 | 119.2 Ų | 119.2 | 64% | 0.643 | 65% | 0.648 | S | S | * | * | trans | -164.3 | 135.3 | -165.2 | 53.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1335 | Q | 26.1 | Very low | 25.6 | Very low | 89 Ų | 89 | 117.6 Ų | 117.6 | 42% | 0.416 | 65% | 0.653 | S | S | . | * | trans | -172.1 | 119.9 | 155 | -104.1 | 151.9 | -63.5 | 0 | 0 | 108.8 | Q1924 | Q1335-Q1924 VanDerWaalsContact CD-OE1 3.25Å; Q1335-Q1924 VanDerWaalsContact NE2-OE1 3.12Å; Q1335-Q1924 VanDerWaalsContact OE1-OE1 3.07Å | ||
| 1336 | T | 25.8 | Very low | 25.8 | Very low | 105 Ų | 105 | 120 Ų | 120 | 64% | 0.644 | 67% | 0.665 | S | S | * | * | 66.8 | 132.3 | 93.3 | 62.7 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 1337 | N | 27.3 | Very low | 26 | Very low | 99 Ų | 99 | 121.7 Ų | 121.7 | 53% | 0.529 | 68% | 0.675 | S | S | . | * | cis | -140.4 | -133.6 | -9 | -82.1 | -25.2 | 0 | 0 | 0 | 107.9 | L1896 | N1337-L1896 WeakPolarHBondContact O-CD1 3.32Š| ||
| 1338 | H | 28.7 | Very low | 26.1 | Very low | 151 Ų | 151 | 119.3 Ų | 119.3 | 70% | 0.699 | 67% | 0.671 | S | S | * | * | cis | -161.3 | 175.1 | -8.6 | -99.4 | -45.5 | 0 | 0 | 0 | 103.9 | ||||
| 1339 | N | 28.6 | Very low | 26.1 | Very low | 116 Ų | 116 | 120.6 Ų | 120.6 | 62% | 0.62 | 67% | 0.674 | S | S | * | * | cis | -171.3 | 173.2 | -12.2 | -98.9 | -0.1 | 0 | 0 | 0 | 105.5 | ||||
| 1340 | N | 29.2 | Very low | 26.1 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 62% | 0.62 | 69% | 0.686 | S | S | * | * | cis | -165.2 | 161.6 | -12.2 | -109.3 | 0.4 | 0 | 0 | 0 | 109.2 | ||||
| 1341 | N | 27.9 | Very low | 26 | Very low | 133 Ų | 133 | 125.3 Ų | 125.3 | 71% | 0.711 | 69% | 0.687 | S | S | * | * | trans | 66.6 | 150.5 | 155.9 | -62.8 | 2.7 | 0 | 0 | 0 | 118.2 | ||||
| 1342 | N | 30.2 | Very low | 26 | Very low | 126 Ų | 126 | 127.8 Ų | 127.8 | 67% | 0.674 | 70% | 0.695 | S | S | * | * | cis | -145 | 156.4 | 12 | -89.6 | -49.8 | 0 | 0 | 0 | 111.8 | ||||
| 1343 | N | 28.7 | Very low | 26.1 | Very low | 148 Ų | 148 | 128.7 Ų | 128.7 | 79% | 0.791 | 70% | 0.695 | S | S | * | * | trans | 39.3 | 154.7 | 139.6 | -50.8 | -13.7 | 0 | 0 | 0 | 122.6 | ||||
| 1344 | A | 26.7 | Very low | 26.2 | Very low | 84 Ų | 84 | 126 Ų | 126 | 69% | 0.694 | 69% | 0.69 | S | S | * | * | cis | -173.6 | 157.2 | -24.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1345 | S | 22.9 | Very low | 26.2 | Very low | 104 Ų | 104 | 130 Ų | 130 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | trans | 16.2 | 139.9 | 154.8 | 64.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1346 | T | 26.7 | Very low | 26.2 | Very low | 116 Ų | 116 | 131 Ų | 131 | 71% | 0.712 | 71% | 0.712 | S | S | * | * | -167 | 164.2 | 53.8 | 42.4 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1347 | D | 26.4 | Very low | 26.1 | Very low | 143 Ų | 143 | 133 Ų | 133 | 77% | 0.765 | 71% | 0.714 | S | S | * | * | trans | 65.3 | 107.6 | 142.1 | -56.9 | -9.1 | 0 | 0 | 0 | 126.4 | ||||
| 1348 | S | 26.9 | Very low | 26 | Very low | 102 Ų | 102 | 137.9 Ų | 137.9 | 71% | 0.713 | 73% | 0.725 | S | S | * | * | trans | 27.5 | 125.4 | 132.1 | 61.2 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 1349 | N | 23.2 | Very low | 26 | Very low | 141 Ų | 141 | 140.3 Ų | 140.3 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | 33.6 | 140 | 117.2 | -66 | -9.8 | 0 | 0 | 0 | 121 | |||||
| 1350 | W | 21.5 | Very low | 25.7 | Very low | 221 Ų | 221 | 144.1 Ų | 144.1 | 84% | 0.837 | 75% | 0.745 | S | S | * | * | cis | -160.2 | 158.5 | 17.7 | -118.1 | 19.9 | 0 | 0 | 0 | 112.4 | ||||
| 1351 | S | 23.3 | Very low | 25.4 | Very low | 95 Ų | 95 | 143.7 Ų | 143.7 | 66% | 0.664 | 75% | 0.751 | S | S | * | * | trans | 30 | 141.8 | 151.8 | 62.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1352 | E | 23.1 | Very low | 25.2 | Very low | 172 Ų | 172 | 147.8 Ų | 147.8 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | cis | -163.6 | -175.3 | 21.8 | -144.1 | 176.6 | -162.5 | 0 | 0 | 113.5 | ||||
| 1353 | H | 27 | Very low | 24.7 | Very low | 151 Ų | 151 | 146.1 Ų | 146.1 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | trans | 85.5 | 88.8 | 159.7 | -101 | -97.1 | 0 | 0 | 0 | 122.2 | ||||
| 1354 | N | 25.3 | Very low | 24.4 | Very low | 143 Ų | 143 | 146.4 Ų | 146.4 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | trans | 44.3 | 113.8 | 135.3 | -67.2 | -24.5 | 0 | 0 | 0 | 123.2 | ||||
| 1355 | M | 24.6 | Very low | 24.1 | Very low | 176 Ų | 176 | 147.1 Ų | 147.1 | 87% | 0.867 | 76% | 0.757 | S | S | * | * | -164.1 | 140.4 | 125 | -110.7 | -178.1 | 76.5 | 0 | 0 | 114.3 | |||||
| 1356 | V | 26.2 | Very low | 24.1 | Very low | 109 Ų | 109 | 149.3 Ų | 149.3 | 66% | 0.661 | 76% | 0.76 | S | S | * | * | trans | 67.8 | 110.2 | 146.7 | 174.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1357 | E | 23.2 | Very low | 23.8 | Very low | 146 Ų | 146 | 149.7 Ų | 149.7 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | trans | 82.3 | 151 | 140.2 | -88.9 | -173.3 | -161.4 | 0 | 0 | 126 | ||||
| 1358 | R | 26.6 | Very low | 23.6 | Very low | 202 Ų | 202 | 152.8 Ų | 152.8 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | trans | 80.6 | 96.5 | 151.4 | -92.7 | 171.3 | -95.9 | 162.8 | -4.1 | 121 | ||||
| 1359 | K | 27.6 | Very low | 23.4 | Very low | 202 Ų | 202 | 152.8 Ų | 152.8 | 88% | 0.878 | 76% | 0.76 | S | S | * | * | trans | 60.3 | 78 | 140.6 | -64.9 | -173.7 | 175.4 | -178.1 | 0 | 117.2 | ||||
| 1360 | F | 23.3 | Very low | 23.4 | Very low | 197 Ų | 197 | 153.8 Ų | 153.8 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | trans | -56.9 | 159.9 | 164.3 | -73.2 | -104.3 | 0 | 0 | 0 | 114.2 | ||||
| 1361 | S | 22.7 | Very low | 23.5 | Very low | 106 Ų | 106 | 150 Ų | 150 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | cis | -170.9 | 168 | -26.3 | -99.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1362 | Y | 22.7 | Very low | 23.5 | Very low | 220 Ų | 220 | 152 Ų | 152 | 86% | 0.863 | 75% | 0.751 | S | S | * | * | trans | -109.6 | 158.3 | -179.7 | -109.6 | -106.2 | 0 | 0 | 0 | 112.9 | ||||
| 1363 | S | 20.9 | Very low | 23.6 | Very low | 91 Ų | 91 | 149.6 Ų | 149.6 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | trans | 56.3 | 134.1 | 145.2 | 63.5 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1364 | N | 21.5 | Very low | 23.4 | Very low | 154 Ų | 154 | 149.8 Ų | 149.8 | 82% | 0.824 | 73% | 0.734 | S | S | * | * | trans | 68.3 | 119.9 | 136.6 | -62.8 | -0.9 | 0 | 0 | 0 | 124.3 | ||||
| 1365 | S | 20.3 | Very low | 23.3 | Very low | 98 Ų | 98 | 146.4 Ų | 146.4 | 69% | 0.685 | 71% | 0.714 | S | S | * | * | 47.3 | 118.6 | 123.9 | -172.2 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 1366 | L | 22.2 | Very low | 23.3 | Very low | 151 Ų | 151 | 141.6 Ų | 141.6 | 79% | 0.791 | 70% | 0.697 | S | S | * | * | trans | 60.4 | 149 | 151.9 | -62.5 | 168.5 | 0 | 0 | 0 | 117.1 | ||||
| 1367 | D | 21.8 | Very low | 23.3 | Very low | 124 Ų | 124 | 142 Ų | 142 | 66% | 0.663 | 70% | 0.7 | S | S | * | * | cis | -156.7 | 164.7 | 18 | -140.4 | -14.5 | 0 | 0 | 0 | 114.5 | ||||
| 1368 | Y | 22.1 | Very low | 23.3 | Very low | 208 Ų | 208 | 141.7 Ų | 141.7 | 82% | 0.816 | 70% | 0.703 | S | S | * | * | trans | 32.1 | 129.3 | 156.6 | -98.8 | -80 | 0 | 0 | 0 | 126.1 | ||||
| 1369 | S | 22 | Very low | 23.2 | Very low | 102 Ų | 102 | 137.6 Ų | 137.6 | 71% | 0.713 | 70% | 0.696 | S | S | * | * | trans | 114.5 | 94.8 | 137 | -46.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1370 | E | 23 | Very low | 23.3 | Very low | 162 Ų | 162 | 136.5 Ų | 136.5 | 76% | 0.757 | 69% | 0.691 | S | S | * | * | 52.7 | 127.9 | 126.1 | -66.6 | -147.1 | 94.8 | 0 | 0 | 126.7 | |||||
| 1371 | Q | 23.2 | Very low | 23.4 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 66% | 0.659 | 69% | 0.685 | S | S | * | * | trans | 70.2 | 147.1 | 143.7 | -63.2 | -177.5 | 43.2 | 0 | 0 | 118.6 | ||||
| 1372 | Q | 25.2 | Very low | 23.6 | Very low | 136 Ų | 136 | 132.4 Ų | 132.4 | 64% | 0.636 | 68% | 0.682 | S | S | * | * | cis | -155.3 | -168 | 4.2 | -129.2 | -176.5 | 68.5 | 0 | 0 | 113.1 | ||||
| 1373 | Q | 24.1 | Very low | 24 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 58% | 0.575 | 68% | 0.683 | S | S | * | * | trans | -65.7 | 174.7 | -178.6 | -67.7 | 171.3 | 42.1 | 0 | 0 | 115.1 | ||||
| 1374 | R | 23.7 | Very low | 24.3 | Very low | 155 Ų | 155 | 133 Ų | 133 | 59% | 0.585 | 69% | 0.687 | S | S | * | * | cis | -160.9 | 138.8 | -0.8 | -122.9 | 176.3 | -161.3 | -99.4 | 1.9 | 112.6 | H917 | H917-R1374 VanDerWaalsContact CD2-CA 3.45Å; H917-R1374 WeakPolarHBondContact CD2-CA 3.42Å; H917-R1374 WeakPolarHBondContact NE2-CA 3.49Å; H917-R1374 PolarHBondContact NE2-N 2.88Å | ||
| 1375 | E | 23.1 | Very low | 24.7 | Very low | 72 Ų | 72 | 133.6 Ų | 133.6 | 34% | 0.336 | 69% | 0.689 | S | S | . | * | 69.1 | 99.7 | 127 | -148 | 153.9 | -139.6 | 0 | 0 | 126.6 | P916 H917 | P916-E1375 VanDerWaalsContact CD-CA 3.42Å; H917-E1375 PolarHBondContact NE2-N 3.2Å | |||
| 1376 | S | 24.5 | Very low | 25 | Very low | 74 Ų | 74 | 135.9 Ų | 135.9 | 52% | 0.517 | 69% | 0.693 | S | S | . | * | 93.9 | 157.2 | 122.8 | 78.9 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 1377 | T | 25.8 | Very low | 25.9 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 72% | 0.718 | 69% | 0.688 | S | S | * | * | trans | 80.2 | 150.2 | 162.1 | 69.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1378 | L | 23.6 | Very low | 26.2 | Very low | 141 Ų | 141 | 133.7 Ų | 133.7 | 74% | 0.738 | 69% | 0.692 | S | S | * | * | cis | -165.2 | 161 | -17.3 | -106 | 170.9 | 0 | 0 | 0 | 112.2 | ||||
| 1379 | N | 24.6 | Very low | 26.4 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 62% | 0.615 | 69% | 0.689 | S | S | * | * | trans | 65.2 | 163.7 | 159.6 | -58 | -14.6 | 0 | 0 | 0 | 118.7 | ||||
| 1380 | F | 29.4 | Very low | 26.7 | Very low | 179 Ų | 179 | 131.4 Ų | 131.4 | 79% | 0.785 | 69% | 0.691 | S | S | * | * | cis | -134.6 | 160.4 | 9 | -106 | -75 | 0 | 0 | 0 | 114.3 | ||||
| 1381 | D | 25.9 | Very low | 27 | Very low | 137 Ų | 137 | 127.9 Ų | 127.9 | 73% | 0.733 | 68% | 0.684 | S | S | * | * | trans | -42.4 | -177.9 | 160.1 | -59.3 | -63.4 | 0 | 0 | 0 | 117.7 | ||||
| 1382 | A | 25.7 | Very low | 27.2 | Very low | 81 Ų | 81 | 126.9 Ų | 126.9 | 67% | 0.669 | 69% | 0.693 | S | S | * | * | cis | 178.8 | 148.3 | -37.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1383 | N | 31.7 | Very low | 27.3 | Very low | 166 Ų | 166 | 124 Ų | 124 | 89% | 0.888 | 70% | 0.699 | S | S | * | * | trans | -161.7 | 145.4 | 156.6 | -115.5 | -36.1 | 0 | 0 | 0 | 116.2 | ||||
| 1384 | H | 26.8 | Very low | 27.4 | Very low | 157 Ų | 157 | 126.2 Ų | 126.2 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | trans | -60.5 | 148.8 | -176.6 | -83.3 | -102.7 | 0 | 0 | 0 | 117.3 | ||||
| 1385 | I | 30.4 | Very low | 27.6 | Very low | 167 Ų | 167 | 124.7 Ų | 124.7 | 86% | 0.856 | 71% | 0.711 | S | S | * | * | -162.6 | 156.5 | 106.9 | -95.8 | 159 | 0 | 0 | 0 | 108.9 | |||||
| 1386 | N | 25.5 | Very low | 27.8 | Very low | 145 Ų | 145 | 127.4 Ų | 127.4 | 78% | 0.775 | 73% | 0.732 | S | S | * | * | trans | -129.9 | 171.6 | -164.2 | -118.5 | -1.2 | 0 | 0 | 0 | 113 | ||||
| 1387 | P | 41.2 | Very low | 27.8 | Very low | 105 Ų | 105 | 127.1 Ų | 127.1 | 68% | 0.682 | 74% | 0.741 | S | S | * | * | trans | -97 | 175.1 | -161.3 | 39.2 | -39.6 | 0 | 0 | 0 | 116.3 | ||||
| 1388 | T | 28.1 | Very low | 27.9 | Very low | 124 Ų | 124 | 129.1 Ų | 129.1 | 76% | 0.761 | 74% | 0.742 | S | S | * | * | trans | -104.5 | 129.1 | 159.6 | 49.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1389 | N | 26.8 | Very low | 27.9 | Very low | 138 Ų | 138 | 130.9 Ų | 130.9 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | 62.7 | 135.7 | 74.1 | -73.6 | -18.4 | 0 | 0 | 0 | 112.7 | |||||
| 1390 | V | 29.2 | Very low | 27.7 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | cis | -135.5 | 128.3 | 22.1 | 173.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1391 | S | 28.6 | Very low | 27.4 | Very low | 88 Ų | 88 | 133.7 Ų | 133.7 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | 61.1 | 141.8 | 90.3 | 125.7 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1392 | S | 28 | Very low | 27.3 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | -124.9 | 169.2 | 54.8 | 54.2 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1393 | G | 27.5 | Very low | 27.1 | Very low | 75 Ų | 75 | 136.9 Ų | 136.9 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | trans | 131.6 | 23.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1394 | F | 26.4 | Very low | 26.7 | Very low | 170 Ų | 170 | 137.1 Ų | 137.1 | 75% | 0.746 | 74% | 0.741 | S | S | * | * | trans | -62.6 | 165 | 173.4 | -74.9 | -60.2 | 0 | 0 | 0 | 114.1 | ||||
| 1395 | N | 27.6 | Very low | 26.7 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 65% | 0.652 | 74% | 0.744 | S | S | * | * | cis | -156.8 | 143.9 | -1.3 | -112.8 | -29.3 | 0 | 0 | 0 | 107.8 | ||||
| 1396 | V | 26.2 | Very low | 26.4 | Very low | 129 Ų | 129 | 133.1 Ų | 133.1 | 78% | 0.782 | 75% | 0.745 | S | S | * | * | 59.9 | 125 | 78.5 | -176.3 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1397 | G | 24.7 | Very low | 26.6 | Very low | 69 Ų | 69 | 131.3 Ų | 131.3 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | trans | 176.5 | 46.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1398 | H | 27.8 | Very low | 25.9 | Very low | 158 Ų | 158 | 131.4 Ų | 131.4 | 73% | 0.731 | 74% | 0.739 | S | S | * | * | trans | 45.8 | 125.2 | 152 | -69.5 | -45.7 | 0 | 0 | 0 | 126.1 | ||||
| 1399 | K | 23.7 | Very low | 25.8 | Very low | 179 Ų | 179 | 130.4 Ų | 130.4 | 78% | 0.778 | 73% | 0.734 | S | S | * | * | 70.8 | 130.7 | 127.2 | -69.2 | 175.8 | 177.6 | 169.2 | 0 | 123.5 | |||||
| 1400 | R | 21.7 | Very low | 25.7 | Very low | 224 Ų | 224 | 130.4 Ų | 130.4 | 85% | 0.845 | 73% | 0.733 | S | S | * | * | trans | 84.8 | 133.8 | 144.2 | -81.5 | -172.3 | 170.5 | -161.1 | -0.8 | 120.9 | ||||
| 1401 | L | 21.1 | Very low | 25.4 | Very low | 128 Ų | 128 | 128.7 Ų | 128.7 | 67% | 0.67 | 73% | 0.726 | S | S | * | * | trans | 46.9 | 130.7 | 146.6 | -83.4 | 80.5 | 0 | 0 | 0 | 120.8 | ||||
| 1402 | H | 24.1 | Very low | 25.3 | Very low | 152 Ų | 152 | 128.3 Ų | 128.3 | 70% | 0.704 | 72% | 0.724 | S | S | * | * | trans | 68 | 154.8 | 144.6 | -79.9 | -118.6 | 0 | 0 | 0 | 116.5 | ||||
| 1403 | Q | 22.6 | Very low | 25.1 | Very low | 134 Ų | 134 | 131.1 Ų | 131.1 | 63% | 0.626 | 72% | 0.723 | S | S | * | * | cis | -163.5 | 152.3 | -24.1 | -147.5 | 178.1 | -22.9 | 0 | 0 | 107.2 | ||||
| 1404 | H | 23.3 | Very low | 24.9 | Very low | 171 Ų | 171 | 131.7 Ų | 131.7 | 79% | 0.792 | 72% | 0.716 | S | S | * | * | trans | 57.6 | 122.7 | 169.6 | -62.2 | -74.5 | 0 | 0 | 0 | 118.3 | ||||
| 1405 | G | 25.7 | Very low | 24.8 | Very low | 76 Ų | 76 | 132.2 Ų | 132.2 | 78% | 0.784 | 72% | 0.718 | S | S | * | * | trans | -178 | 26.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1406 | N | 25.8 | Very low | 24.6 | Very low | 163 Ų | 163 | 132.7 Ų | 132.7 | 87% | 0.872 | 72% | 0.721 | S | S | * | * | trans | -75.6 | 151.7 | 156.6 | -91 | 10.7 | 0 | 0 | 0 | 108 | ||||
| 1407 | P | 29.6 | Very low | 24.8 | Very low | 107 Ų | 107 | 132.7 Ų | 132.7 | 70% | 0.695 | 72% | 0.721 | S | S | * | * | cis | -130.6 | -164.7 | 34.6 | 35.6 | -12.5 | 0 | 0 | 0 | 112.5 | ||||
| 1408 | T | 26.5 | Very low | 24.6 | Very low | 107 Ų | 107 | 137.9 Ų | 137.9 | 66% | 0.656 | 73% | 0.726 | S | S | * | * | cis | -160.4 | 146.9 | 19.3 | -19 | 0 | 0 | 0 | 0 | 112 | ||||
| 1409 | T | 25.4 | Very low | 24.4 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 64% | 0.638 | 73% | 0.73 | S | S | * | * | trans | 43.1 | 117.2 | 142.6 | 54.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1410 | L | 24.1 | Very low | 24.4 | Very low | 138 Ų | 138 | 135.2 Ų | 135.2 | 72% | 0.723 | 73% | 0.732 | S | S | * | * | 97.2 | 146.5 | 97.2 | -76.7 | 175 | 0 | 0 | 0 | 112.5 | |||||
| 1411 | S | 23.8 | Very low | 24.5 | Very low | 87 Ų | 87 | 130 Ų | 130 | 61% | 0.608 | 73% | 0.726 | S | S | * | * | cis | -157.3 | 171.5 | -2.7 | 47.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1412 | S | 26.1 | Very low | 24.8 | Very low | 81 Ų | 81 | 129.1 Ų | 129.1 | 57% | 0.566 | 74% | 0.737 | S | S | * | * | trans | 56.8 | 106.2 | 136.9 | 60.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1413 | E | 22.8 | Very low | 24.8 | Very low | 179 Ų | 179 | 127.3 Ų | 127.3 | 84% | 0.836 | 73% | 0.732 | S | S | * | * | 100 | 155.1 | 81.2 | -85 | 157.1 | -167.3 | 0 | 0 | 110.3 | |||||
| 1414 | S | 25 | Very low | 24.9 | Very low | 88 Ų | 88 | 124.7 Ų | 124.7 | 62% | 0.615 | 73% | 0.729 | S | S | * | * | cis | -159.9 | 153 | 9.3 | 12.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 1415 | F | 23.2 | Very low | 25.1 | Very low | 180 Ų | 180 | 124.4 Ų | 124.4 | 79% | 0.789 | 73% | 0.732 | S | S | * | * | trans | 58.7 | 154.6 | 145.7 | -62.7 | -47.8 | 0 | 0 | 0 | 119.7 | ||||
| 1416 | N | 24.1 | Very low | 25 | Very low | 133 Ų | 133 | 126.6 Ų | 126.6 | 71% | 0.711 | 73% | 0.725 | S | S | * | * | cis | -149.6 | 165.5 | -4.4 | -120.3 | -31.7 | 0 | 0 | 0 | 106.7 | ||||
| 1417 | V | 29.1 | Very low | 25.1 | Very low | 129 Ų | 129 | 125.1 Ų | 125.1 | 78% | 0.782 | 72% | 0.721 | S | S | * | * | cis | -143.4 | 132.9 | 24.3 | 176.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1418 | E | 22.1 | Very low | 25.4 | Very low | 177 Ų | 177 | 126 Ų | 126 | 83% | 0.827 | 73% | 0.727 | S | S | * | * | trans | -88.1 | 150.2 | 171.3 | -72.2 | -163.5 | 124.8 | 0 | 0 | 113.7 | P1420 | E1418-P1420 WeakPolarHBondContact O-CD 3.19Š| ||
| 1419 | L | 22 | Very low | 25.4 | Very low | 154 Ų | 154 | 124.7 Ų | 124.7 | 81% | 0.806 | 73% | 0.734 | S | S | * | * | trans | -75.6 | 121.3 | 158 | -90.1 | 73.4 | 0 | 0 | 0 | 109.1 | T1421 | L1419-T1421 PolarHBondContact O-N 2.86Š| ||
| 1420 | P | 25 | Very low | 25.3 | Very low | 128 Ų | 128 | 123.9 Ų | 123.9 | 83% | 0.831 | 75% | 0.746 | S | S | * | * | trans | -73.8 | 93.9 | 179.7 | 29.4 | -34.8 | 0 | 0 | 0 | 111.6 | E1418 | E1418-P1420 WeakPolarHBondContact O-CD 3.19Š| ||
| 1421 | T | 22.9 | Very low | 25.4 | Very low | 115 Ų | 115 | 121.2 Ų | 121.2 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | -123 | 90.3 | 164 | -56.9 | 0 | 0 | 0 | 0 | 109.9 | L1419 N1423 | L1419-T1421 PolarHBondContact O-N 2.86Å; T1421-N1423 PolarHBondContact O-N 3.43Å | ||
| 1422 | A | 26.8 | Very low | 25.5 | Very low | 109 Ų | 109 | 125 Ų | 125 | 90% | 0.901 | 76% | 0.764 | S | S | * | * | trans | -71.5 | 87.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1423 | N | 24.8 | Very low | 25.6 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 60% | 0.604 | 78% | 0.781 | S | S | * | * | trans | -59.4 | 165.2 | 138.2 | -74.6 | -35.6 | 0 | 0 | 0 | 109.5 | T1421 | T1421-N1423 PolarHBondContact O-N 3.43Š| ||
| 1424 | S | 25.8 | Very low | 25.6 | Very low | 80 Ų | 80 | 131.9 Ų | 131.9 | 56% | 0.559 | 77% | 0.77 | S | S | * | * | cis | -174.1 | 165 | -21.5 | 57.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1425 | L | 25.8 | Very low | 25.8 | Very low | 164 Ų | 164 | 138.6 Ų | 138.6 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | trans | -140.3 | 107.8 | 157.8 | -80.8 | 169.5 | 0 | 0 | 0 | 107.1 | ||||
| 1426 | I | 25.4 | Very low | 25.7 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 63% | 0.631 | 78% | 0.78 | S | S | * | * | 78 | 95.7 | 58.6 | -61.9 | 173.1 | 0 | 0 | 0 | 109.8 | |||||
| 1427 | V | 27.7 | Very low | 25.9 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | 90.1 | 153.5 | 70.8 | 157.4 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1428 | P | 35.3 | Very low | 25.6 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | cis | -121.6 | -174.1 | 5.1 | 28.5 | -5.9 | 0 | 0 | 0 | 115.7 | ||||
| 1429 | G | 25.9 | Very low | 25.7 | Very low | 78 Ų | 78 | 131.7 Ų | 131.7 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -163.5 | -33.4 | 176 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1430 | G | 24 | Very low | 25.8 | Very low | 87 Ų | 87 | 132.8 Ų | 132.8 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | trans | 81.6 | 136.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1431 | G | 26.7 | Very low | 26 | Very low | 82 Ų | 82 | 133.7 Ų | 133.7 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | 155.5 | 104.5 | 172 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1432 | I | 25.7 | Very low | 26 | Very low | 166 Ų | 166 | 134 Ų | 134 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | trans | -92.1 | 127.9 | -171.7 | -59.8 | 165.8 | 0 | 0 | 0 | 112.3 | ||||
| 1433 | R | 27.2 | Very low | 26.2 | Very low | 248 Ų | 248 | 133 Ų | 133 | 94% | 0.936 | 77% | 0.771 | S | S | * | * | trans | -145.1 | 137.4 | 144.7 | -77.2 | -157.4 | 175.2 | -167.8 | -1.2 | 111.8 | ||||
| 1434 | R | 24 | Very low | 26.6 | Very low | 157 Ų | 157 | 132.8 Ų | 132.8 | 59% | 0.592 | 78% | 0.779 | S | S | * | * | trans | -65 | 151.1 | -180 | -57.7 | 167.5 | -178.9 | 173.2 | -9.8 | 111.6 | L909 V910 | L909-R1434 VanDerWaalsContact C-NH2 3.34Å; L909-R1434 PolarHBondContact O-NE 2.86Å; L909-R1434 PolarHBondContact O-NH2 3.1Å; L909-R1434 VanDerWaalsContact O-NH2 3.13Å; V910-R1434 PolarHBondContact O-NH2 2.89Å | ||
| 1435 | R | 27.5 | Very low | 27.7 | Very low | 229 Ų | 229 | 135.7 Ų | 135.7 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -146.1 | 79.4 | 163.1 | -153.7 | -179.9 | -155.7 | -168.7 | 6.5 | 114.4 | N1437 | R1435-N1437 PolarHBondContact O-N 3.32Š| ||
| 1436 | S | 21.9 | Very low | 29.3 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -62 | 117.7 | 147.7 | 52 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1437 | N | 27.9 | Very low | 30.7 | Very low | 140 Ų | 140 | 129.8 Ų | 129.8 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | trans | -171.7 | 130.7 | 152.3 | -105.7 | -5.9 | 0 | 0 | 0 | 111.2 | R1435 G1439 | R1435-N1437 PolarHBondContact O-N 3.32Å; N1437-G1439 PolarHBondContact O-N 3.09Å | ||
| 1438 | L | 23.4 | Very low | 32.3 | Very low | 167 Ų | 167 | 129 Ų | 129 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | trans | -72.2 | 95.2 | 165.1 | -74.9 | 88.7 | 0 | 0 | 0 | 109 | ||||
| 1439 | G | 24.4 | Very low | 33.9 | Very low | 59 Ų | 59 | 130.2 Ų | 130.2 | 61% | 0.608 | 74% | 0.74 | S | S | * | * | trans | -89.8 | 97.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | N1437 I1441 | N1437-G1439 PolarHBondContact O-N 3.09Å; G1439-I1441 VanDerWaalsContact O-CG1 3.28Å; G1439-I1441 WeakPolarHBondContact O-CG1 3.45Å; G1439-I1441 PolarHBondContact O-N 3.16Å; G1439-I1441 VanDerWaalsContact O-N 3.14Å | ||
| 1440 | L | 24.3 | Very low | 36.1 | Very low | 177 Ų | 177 | 129.1 Ų | 129.1 | 93% | 0.927 | 72% | 0.715 | S | S | * | * | trans | -59.6 | 116.4 | 165 | -88 | 165.5 | 0 | 0 | 0 | 108.4 | S1442 | L1440-S1442 PolarHBondContact O-N 2.9Å; L1440-S1442 VanDerWaalsContact O-N 3.08Å | ||
| 1441 | I | 29.1 | Very low | 38.5 | Very low | 146 Ų | 146 | 128.8 Ų | 128.8 | 75% | 0.749 | 69% | 0.687 | S | S | * | * | trans | -80.3 | 102.2 | -160.9 | -52.8 | -178.1 | 0 | 0 | 0 | 110.4 | G1439 S1443 | G1439-I1441 VanDerWaalsContact O-CG1 3.28Å; G1439-I1441 WeakPolarHBondContact O-CG1 3.45Å; G1439-I1441 PolarHBondContact O-N 3.16Å; G1439-I1441 VanDerWaalsContact O-N 3.14Å; I1441-S1443 PolarHBondContact O-N 3.35Å | ||
| 1442 | S | 22.4 | Very low | 40.9 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 85% | 0.853 | 67% | 0.667 | S | S | * | * | trans | -67.9 | 62.1 | 160.9 | 48.5 | 0 | 0 | 0 | 0 | 111 | L1440 S1444 | L1440-S1442 PolarHBondContact O-N 2.9Å; L1440-S1442 VanDerWaalsContact O-N 3.08Å; S1442-S1444 PolarHBondContact O-N 2.93Å | ||
| 1443 | S | 30.8 | Very low | 43.2 | Very low | 87 Ų | 87 | 124.1 Ų | 124.1 | 61% | 0.608 | 65% | 0.646 | S | S | * | * | trans | -65.3 | 124.1 | -178.2 | 62.8 | 0 | 0 | 0 | 0 | 109.9 | I1441 I1445 | I1441-S1443 PolarHBondContact O-N 3.35Å; S1443-I1445 PolarHBondContact O-N 2.63Å; S1443-I1445 VanDerWaalsContact O-N 3.09Å | ||
| 1444 | S | 33.4 | Very low | 45.7 | Very low | 110 Ų | 110 | 113.8 Ų | 113.8 | 77% | 0.769 | 61% | 0.607 | S | S | * | * | trans | -57.1 | 118 | 174.9 | 57.6 | 0 | 0 | 0 | 0 | 109.2 | S1442 N1446 | S1442-S1444 PolarHBondContact O-N 2.93Å; S1444-N1446 PolarHBondContact O-N 2.63Å | ||
| 1445 | I | 49.1 | Very low | 48.4 | Very low | 140 Ų | 140 | 107.4 Ų | 107.4 | 72% | 0.718 | 58% | 0.584 | S | S | * | * | trans | -49.4 | 112 | 179.3 | -65.8 | 174.7 | 0 | 0 | 0 | 108.7 | S1443 P1447 I1450 | S1443-I1445 PolarHBondContact O-N 2.63Å; S1443-I1445 VanDerWaalsContact O-N 3.09Å; I1445-P1447 WeakPolarHBondContact O-CD 3.28Å; I1445-I1450 HydrophobicContact CG2-CD1 3.38Å; I1445-I1450 HydrophobicContact CG2-CG1 4.23Å | ||
| 1446 | N | 59.6 | Low | 51.2 | Low | 84 Ų | 84 | 98.1 Ų | 98.1 | 45% | 0.449 | 55% | 0.551 | S | S | . | * | trans | -83.4 | 109.4 | -174.8 | -176 | -18.2 | 0 | 0 | 0 | 109.2 | S1444 K1448 K1449 I1450 | S1444-N1446 PolarHBondContact O-N 2.63Å; N1446-K1448 PolarHBondContact O-N 3.24Å; N1446-K1448 VanDerWaalsContact O-N 3.12Å; N1446-K1448 WeakPolarHBondContact OD1-CB 3.47Å; N1446-K1448 PolarHBondContact OD1-N 3.3Å; N1446-K1449 HydrophobicContact CB-CB 4.43Å; N1446-K1449 HydrophobicContact CB-CG 4.45Å; N1446-K1449 PolarHBondContact O-N 3.47Å; N1446-I1450 PolarHBondContact O-N 2.78Å | ||
| 1447 | P | 54.5 | Low | 54.1 | Low | 79 Ų | 79 | 94 Ų | 94 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.4 | -21.1 | -175.8 | 27.3 | -35.5 | 0 | 0 | 0 | 112.7 | I1445 Y1451 | I1445-P1447 WeakPolarHBondContact O-CD 3.28Å; P1447-Y1451 WeakPolarHBondContact O-CB 3.43Å; P1447-Y1451 PolarHBondContact O-N 2.91Å |
| 1448 | K | 61.6 | Low | 56.7 | Low | 115 Ų | 115 | 87.9 Ų | 87.9 | 50% | 0.5 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.8 | -41.3 | 171.8 | -174.6 | 178.1 | 179 | -76 | 0 | 111.5 | N1446 Y1451 E1452 | N1446-K1448 PolarHBondContact O-N 3.24Å; N1446-K1448 VanDerWaalsContact O-N 3.12Å; N1446-K1448 WeakPolarHBondContact OD1-CB 3.47Å; N1446-K1448 PolarHBondContact OD1-N 3.3Å; K1448-Y1451 PolarHBondContact O-N 2.93Å; K1448-E1452 VanDerWaalsContact CE-OE1 3.28Å; K1448-E1452 WeakPolarHBondContact CE-OE1 3.44Å; K1448-E1452 HydrophobicContact CG-CG 4.48Å; K1448-E1452 IonicContact NZ-OE1 3.22Å; K1448-E1452 PolarHBondContact NZ-OE1 2.79Å; K1448-E1452 IonicContact NZ-OE2 2.7Å; K1448-E1452 PolarHBondContact NZ-OE2 3.01Å; K1448-E1452 WeakPolarHBondContact O-CB 3.45Å; K1448-E1452 WeakPolarHBondContact O-CG 3.46Å; K1448-E1452 PolarHBondContact O-N 3.47Å |
| 1449 | K | 68.7 | Low | 59.8 | Low | 152 Ų | 152 | 82.8 Ų | 82.8 | 66% | 0.661 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.5 | -40.3 | 176.3 | -78.6 | -164.2 | 171.5 | -168.7 | 0 | 111.9 | N1446 E1452 S1453 | N1446-K1449 HydrophobicContact CB-CB 4.43Å; N1446-K1449 HydrophobicContact CB-CG 4.45Å; N1446-K1449 PolarHBondContact O-N 3.47Å; K1449-E1452 PolarHBondContact O-N 3.37Å; K1449-S1453 VanDerWaalsContact O-CB 3.28Å; K1449-S1453 WeakPolarHBondContact O-CB 3.39Å; K1449-S1453 PolarHBondContact O-N 2.86Å |
| 1450 | I | 71.3 | Confident | 62.9 | Low | 56 Ų | 56 | 80.1 Ų | 80.1 | 29% | 0.287 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.6 | -47.4 | 173.7 | -68.3 | -175.7 | 0 | 0 | 0 | 110.4 | I1445 N1446 E1452 S1453 W1454 | I1445-I1450 HydrophobicContact CG2-CD1 3.38Å; I1445-I1450 HydrophobicContact CG2-CG1 4.23Å; N1446-I1450 PolarHBondContact O-N 2.78Å; I1450-E1452 PolarHBondContact O-N 3.2Å; I1450-S1453 PolarHBondContact O-N 2.84Å; I1450-W1454 VanDerWaalsContact O-CB 3.3Å; I1450-W1454 WeakPolarHBondContact O-CB 3.36Å; I1450-W1454 PolarHBondContact O-N 2.99Å |
| 1451 | Y | 74.7 | Confident | 65.8 | Low | 80 Ų | 80 | 76 Ų | 76 | 31% | 0.314 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 178.2 | 179.3 | -90.8 | 0 | 0 | 0 | 112.5 | P1447 K1448 W1454 L1455 | P1447-Y1451 WeakPolarHBondContact O-CB 3.43Å; P1447-Y1451 PolarHBondContact O-N 2.91Å; K1448-Y1451 PolarHBondContact O-N 2.93Å; Y1451-W1454 HydrophobicContact CD2-CE3 4.16Å; Y1451-W1454 HydrophobicContact CD2-CZ3 4.29Å; Y1451-W1454 HydrophobicContact CE2-CE3 4.09Å; Y1451-W1454 AromaticContact CE2-CZ3 3.8Å; Y1451-W1454 HydrophobicContact CE2-CZ3 3.8Å; Y1451-W1454 PolarHBondContact O-N 3.42Å; Y1451-L1455 HydrophobicContact CE1-CB 4.48Å; Y1451-L1455 HydrophobicContact CE1-CD2 3.98Å; Y1451-L1455 VanDerWaalsContact O-CB 3.23Å; Y1451-L1455 WeakPolarHBondContact O-CB 3.33Å; Y1451-L1455 PolarHBondContact O-N 3.14Å |
| 1452 | E | 76.2 | Confident | 68.5 | Low | 92 Ų | 92 | 69.9 Ų | 69.9 | 43% | 0.43 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -68.8 | -38.3 | 179.5 | -73.2 | 175.3 | 150.9 | 0 | 0 | 112.3 | K1448 K1449 I1450 L1455 M1456 | K1448-E1452 VanDerWaalsContact CE-OE1 3.28Å; K1448-E1452 WeakPolarHBondContact CE-OE1 3.44Å; K1448-E1452 HydrophobicContact CG-CG 4.48Å; K1448-E1452 IonicContact NZ-OE1 3.22Å; K1448-E1452 PolarHBondContact NZ-OE1 2.79Å; K1448-E1452 IonicContact NZ-OE2 2.7Å; K1448-E1452 PolarHBondContact NZ-OE2 3.01Å; K1448-E1452 WeakPolarHBondContact O-CB 3.45Å; K1448-E1452 WeakPolarHBondContact O-CG 3.46Å; K1448-E1452 PolarHBondContact O-N 3.47Å; K1449-E1452 PolarHBondContact O-N 3.37Å; I1450-E1452 PolarHBondContact O-N 3.2Å; E1452-L1455 PolarHBondContact O-N 2.88Å; E1452-M1456 WeakPolarHBondContact O-CB 3.4Å; E1452-M1456 PolarHBondContact O-N 3.2Å |
| 1453 | S | 74.3 | Confident | 71.8 | Confident | 57 Ų | 57 | 64.7 Ų | 64.7 | 40% | 0.399 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68 | -40.6 | 174.2 | 179.7 | 0 | 0 | 0 | 0 | 112.7 | K1449 I1450 M1456 T1457 | K1449-S1453 VanDerWaalsContact O-CB 3.28Å; K1449-S1453 WeakPolarHBondContact O-CB 3.39Å; K1449-S1453 PolarHBondContact O-N 2.86Å; I1450-S1453 PolarHBondContact O-N 2.84Å; S1453-M1456 PolarHBondContact O-N 3.37Å; S1453-T1457 WeakPolarHBondContact O-CB 3.46Å; S1453-T1457 PolarHBondContact O-N 3.27Å; S1453-T1457 PolarHBondContact O-OG1 2.68Å |
| 1454 | W | 80.5 | Confident | 74.6 | Confident | 31 Ų | 31 | 62.4 Ų | 62.4 | 12% | 0.117 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 172.5 | 171.1 | 79.2 | 0 | 0 | 0 | 111.6 | F935 L1023 I1450 Y1451 M1456 T1457 L1458 | F935-W1454 AromaticContact CE1-CD1 3.87Å; L1023-W1454 HydrophobicContact CD2-CH2 3.96Å; L1023-W1454 HydrophobicContact CD2-CZ2 4.48Å; I1450-W1454 VanDerWaalsContact O-CB 3.3Å; I1450-W1454 WeakPolarHBondContact O-CB 3.36Å; I1450-W1454 PolarHBondContact O-N 2.99Å; Y1451-W1454 HydrophobicContact CD2-CE3 4.16Å; Y1451-W1454 HydrophobicContact CD2-CZ3 4.29Å; Y1451-W1454 HydrophobicContact CE2-CE3 4.09Å; Y1451-W1454 AromaticContact CE2-CZ3 3.8Å; Y1451-W1454 HydrophobicContact CE2-CZ3 3.8Å; Y1451-W1454 PolarHBondContact O-N 3.42Å; W1454-M1456 VanDerWaalsContact C-N 3.32Å; W1454-M1456 PolarHBondContact O-N 3.44Å; W1454-T1457 WeakPolarHBondContact O-CB 3.47Å; W1454-T1457 PolarHBondContact O-N 3.46Å; W1454-L1458 HydrophobicContact CD2-CD1 4.19Å; W1454-L1458 HydrophobicContact CE3-CD1 4.34Å; W1454-L1458 HydrophobicContact CH2-CD1 3.6Å; W1454-L1458 HydrophobicContact CZ2-CD1 3.38Å; W1454-L1458 HydrophobicContact CZ2-CG 4.35Å; W1454-L1458 HydrophobicContact CZ3-CD1 4.07Å; W1454-L1458 PolarHBondContact O-N 3.21Å |
| 1455 | L | 81.1 | Confident | 77 | Confident | 23 Ų | 23 | 61.1 Ų | 61.1 | 12% | 0.12 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.4 | -38.1 | 176.3 | -177 | 61.9 | 0 | 0 | 0 | 111.5 | L1025 Y1451 E1452 L1458 R1459 | L1025-L1455 HydrophobicContact CD2-CD1 3.86Å; Y1451-L1455 HydrophobicContact CE1-CB 4.48Å; Y1451-L1455 HydrophobicContact CE1-CD2 3.98Å; Y1451-L1455 VanDerWaalsContact O-CB 3.23Å; Y1451-L1455 WeakPolarHBondContact O-CB 3.33Å; Y1451-L1455 PolarHBondContact O-N 3.14Å; E1452-L1455 PolarHBondContact O-N 2.88Å; L1455-L1458 PolarHBondContact O-N 2.73Å; L1455-R1459 VanDerWaalsContact O-CG 3.3Å; L1455-R1459 WeakPolarHBondContact O-CG 3.32Å; L1455-R1459 PolarHBondContact O-N 2.94Å |
| 1456 | M | 85.4 | Confident | 78.7 | Confident | 34 Ų | 34 | 60.1 Ų | 60.1 | 17% | 0.167 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.2 | -39.7 | 173.4 | -161 | 65.2 | 69.5 | 0 | 0 | 111.8 | L1060 P1061 E1064 E1452 S1453 W1454 L1458 R1459 I1460 | L1060-M1456 HydrophobicContact CD2-SD 4.01Å; P1061-M1456 WeakPolarHBondContact CD-SD 3.38Å; P1061-M1456 HydrophobicContact CG-CE 3.78Å; P1061-M1456 HydrophobicContact CG-CG 4.23Å; P1061-M1456 HydrophobicContact CG-SD 4.06Å; E1064-M1456 HydrophobicContact CB-CG 4.49Å; E1064-M1456 WeakPolarHBondContact OE2-CG 3.4Å; E1452-M1456 WeakPolarHBondContact O-CB 3.4Å; E1452-M1456 PolarHBondContact O-N 3.2Å; S1453-M1456 PolarHBondContact O-N 3.37Å; W1454-M1456 VanDerWaalsContact C-N 3.32Å; W1454-M1456 PolarHBondContact O-N 3.44Å; M1456-L1458 VanDerWaalsContact C-N 3.29Å; M1456-L1458 PolarHBondContact O-N 2.75Å; M1456-R1459 CarbonylContact O-C 3.56Å; M1456-R1459 WeakPolarHBondContact O-CA 3.45Å; M1456-R1459 WeakPolarHBondContact O-CB 3.41Å; M1456-R1459 PolarHBondContact O-N 3.2Å; M1456-R1459 HydrophobicContact SD-CB 4.29Å; M1456-I1460 HydrophobicContact CG-CD1 4.11Å; M1456-I1460 HydrophobicContact CG-CG1 4.43Å; M1456-I1460 WeakPolarHBondContact O-CG1 3.33Å; M1456-I1460 PolarHBondContact O-N 3.45Å |
| 1457 | T | 83.6 | Confident | 80 | Confident | 24 Ų | 24 | 57.6 Ų | 57.6 | 15% | 0.147 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.7 | -41.2 | 174.3 | -56.7 | 0 | 0 | 0 | 0 | 111 | F935 S1453 W1454 R1461 | F935-T1457 HydrophobicContact CZ-CG2 4.46Å; S1453-T1457 WeakPolarHBondContact O-CB 3.46Å; S1453-T1457 PolarHBondContact O-N 3.27Å; S1453-T1457 PolarHBondContact O-OG1 2.68Å; W1454-T1457 WeakPolarHBondContact O-CB 3.47Å; W1454-T1457 PolarHBondContact O-N 3.46Å; T1457-R1461 WeakPolarHBondContact O-CB 3.46Å; T1457-R1461 WeakPolarHBondContact O-CG 3.47Å; T1457-R1461 PolarHBondContact O-N 2.9Å |
| 1458 | L | 82.7 | Confident | 81.6 | Confident | 10 Ų | 10 | 64.6 Ų | 64.6 | 5% | 0.052 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65 | -37.4 | 171.1 | -77.6 | -177.1 | 0 | 0 | 0 | 112.8 | L1023 L1025 W1454 L1455 M1456 T1462 | L1023-L1458 WeakPolarHBondContact O-CD2 3.48Å; L1025-L1458 HydrophobicContact CD2-CB 4.1Å; W1454-L1458 HydrophobicContact CD2-CD1 4.19Å; W1454-L1458 HydrophobicContact CE3-CD1 4.34Å; W1454-L1458 HydrophobicContact CH2-CD1 3.6Å; W1454-L1458 HydrophobicContact CZ2-CD1 3.38Å; W1454-L1458 HydrophobicContact CZ2-CG 4.35Å; W1454-L1458 HydrophobicContact CZ3-CD1 4.07Å; W1454-L1458 PolarHBondContact O-N 3.21Å; L1455-L1458 PolarHBondContact O-N 2.73Å; M1456-L1458 VanDerWaalsContact C-N 3.29Å; M1456-L1458 PolarHBondContact O-N 2.75Å; L1458-T1462 WeakPolarHBondContact O-CB 3.38Å; L1458-T1462 PolarHBondContact O-N 3.29Å; L1458-T1462 PolarHBondContact O-OG1 2.96Å |
| 1459 | R | 88.2 | Confident | 82.9 | Confident | 60 Ų | 60 | 60.7 Ų | 60.7 | 23% | 0.226 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 175.4 | -72.1 | 171.1 | 177 | -153.2 | 1.2 | 112.4 | L1025 E1052 V1055 L1060 L1455 M1456 T1462 Y1463 | L1025-R1459 HydrophobicContact CD1-CB 4.38Å; L1025-R1459 HydrophobicContact CD1-CG 3.73Å; L1025-R1459 HydrophobicContact CD2-CG 4.12Å; E1052-R1459 IonicContact OE1-CZ 2.85Å; E1052-R1459 IonicContact OE1-NE 3.16Å; E1052-R1459 IonicContact OE1-NH2 3.83Å; E1052-R1459 PolarHBondContact OE1-NH2 2.76Å; V1055-R1459 HydrophobicContact CG1-CB 4.23Å; V1055-R1459 HydrophobicContact CG2-CB 3.87Å; V1055-R1459 HydrophobicContact CG2-CG 3.79Å; L1060-R1459 HydrophobicContact CD2-CB 3.86Å; L1455-R1459 VanDerWaalsContact O-CG 3.3Å; L1455-R1459 WeakPolarHBondContact O-CG 3.32Å; L1455-R1459 PolarHBondContact O-N 2.94Å; M1456-R1459 CarbonylContact O-C 3.56Å; M1456-R1459 WeakPolarHBondContact O-CA 3.45Å; M1456-R1459 WeakPolarHBondContact O-CB 3.41Å; M1456-R1459 PolarHBondContact O-N 3.2Å; M1456-R1459 HydrophobicContact SD-CB 4.29Å; R1459-T1462 PolarHBondContact O-N 3.46Å; R1459-Y1463 WeakPolarHBondContact O-CB 3.36Å; R1459-Y1463 PolarHBondContact O-N 3.49Å |
| 1460 | I | 89.3 | Confident | 83.9 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.3 | -50.5 | 175.4 | -65 | 164.9 | 0 | 0 | 0 | 110.3 | L1060 E1064 L1065 R1068 M1456 T1462 Y1463 F1464 | L1060-I1460 HydrophobicContact CD1-CG1 4.31Å; L1060-I1460 HydrophobicContact CD2-CG1 3.86Å; E1064-I1460 HydrophobicContact CB-CD1 4.39Å; L1065-I1460 HydrophobicContact CD1-CG1 4.18Å; L1065-I1460 HydrophobicContact CD1-CG2 3.71Å; R1068-I1460 HydrophobicContact CB-CD1 4.19Å; R1068-I1460 HydrophobicContact CB-CG2 4.33Å; R1068-I1460 HydrophobicContact CG-CG2 4.22Å; M1456-I1460 HydrophobicContact CG-CD1 4.11Å; M1456-I1460 HydrophobicContact CG-CG1 4.43Å; M1456-I1460 WeakPolarHBondContact O-CG1 3.33Å; M1456-I1460 PolarHBondContact O-N 3.45Å; I1460-T1462 PolarHBondContact O-N 3.03Å; I1460-Y1463 PolarHBondContact O-N 2.84Å; I1460-F1464 HydrophobicContact CG2-CD2 3.8Å; I1460-F1464 HydrophobicContact CG2-CE2 3.69Å; I1460-F1464 WeakPolarHBondContact O-CD2 3.18Å; I1460-F1464 PolarHBondContact O-N 3.28Å |
| 1461 | R | 85.6 | Confident | 84.6 | Confident | 89 Ų | 89 | 57.3 Ų | 57.3 | 34% | 0.336 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 177.3 | -74.2 | 178 | 172 | -179.4 | -3.9 | 112.9 | T1457 A1465 | T1457-R1461 WeakPolarHBondContact O-CB 3.46Å; T1457-R1461 WeakPolarHBondContact O-CG 3.47Å; T1457-R1461 PolarHBondContact O-N 2.9Å; R1461-A1465 WeakPolarHBondContact O-CB 3.11Å; R1461-A1465 PolarHBondContact O-N 3Å |
| 1462 | T | 85.9 | Confident | 85 | Confident | 18 Ų | 18 | 57 Ų | 57 | 11% | 0.11 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.9 | -34.7 | 177.8 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | L1025 L1458 R1459 I1460 N1466 | L1025-T1462 HydrophobicContact CB-CG2 4.44Å; L1025-T1462 HydrophobicContact CD1-CG2 4.01Å; L1025-T1462 HydrophobicContact CG-CG2 4.31Å; L1458-T1462 WeakPolarHBondContact O-CB 3.38Å; L1458-T1462 PolarHBondContact O-N 3.29Å; L1458-T1462 PolarHBondContact O-OG1 2.96Å; R1459-T1462 PolarHBondContact O-N 3.46Å; I1460-T1462 PolarHBondContact O-N 3.03Å; T1462-N1466 PolarHBondContact O-N 2.87Å; T1462-N1466 PolarHBondContact O-ND2 2.67Å |
| 1463 | Y | 91.7 | Very high | 85.2 | Confident | 14 Ų | 14 | 54.1 Ų | 54.1 | 6% | 0.055 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.8 | -56 | 172.6 | 172.3 | -103.8 | 0 | 0 | 0 | 111 | F1057 L1060 W1136 E1140 R1459 I1460 A1465 N1466 L1467 | F1057-Y1463 HydrophobicContact CB-CE2 4.13Å; L1060-Y1463 HydrophobicContact CD1-CD1 3.84Å; L1060-Y1463 HydrophobicContact CD1-CG 3.86Å; W1136-Y1463 AromaticContact CZ2-CE1 3.74Å; W1136-Y1463 HydrophobicContact CZ2-CE1 3.74Å; W1136-Y1463 AromaticContact NE1-CE1 3.84Å; W1136-Y1463 AromaticContact NE1-CZ 3.78Å; W1136-Y1463 PolarHBondContact NE1-OH 3.08Å; E1140-Y1463 WeakPolarHBondContact CG-OH 3.36Å; E1140-Y1463 WeakPolarHBondContact OE1-CE2 3.31Å; E1140-Y1463 PolarHBondContact OE1-OH 3.04Å; R1459-Y1463 WeakPolarHBondContact O-CB 3.36Å; R1459-Y1463 PolarHBondContact O-N 3.49Å; I1460-Y1463 PolarHBondContact O-N 2.84Å; Y1463-A1465 VanDerWaalsContact C-N 3.31Å; Y1463-A1465 PolarHBondContact O-N 3.48Å; Y1463-N1466 CarbonylContact O-C 3.56Å; Y1463-N1466 PolarHBondContact O-N 3.33Å; Y1463-L1467 PolarHBondContact O-N 3.13Å |
| 1464 | F | 88.4 | Confident | 85.5 | Confident | 39 Ų | 39 | 55.5 Ų | 55.5 | 17% | 0.171 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.2 | -30.7 | 179.9 | -71.8 | -58.8 | 0 | 0 | 0 | 114.1 | L1065 L1069 W1136 I1460 N1466 L1467 | L1065-F1464 HydrophobicContact CD1-CE2 3.59Å; L1065-F1464 HydrophobicContact CD1-CZ 3.81Å; L1069-F1464 HydrophobicContact CD1-CZ 4.15Å; L1069-F1464 HydrophobicContact CD2-CE1 4.33Å; L1069-F1464 HydrophobicContact CD2-CE2 3.64Å; L1069-F1464 HydrophobicContact CD2-CZ 3.51Å; L1069-F1464 HydrophobicContact CG-CE2 4.11Å; L1069-F1464 HydrophobicContact CG-CZ 4.05Å; W1136-F1464 HydrophobicContact CD2-CE1 4.21Å; W1136-F1464 AromaticContact CE2-CE1 3.97Å; W1136-F1464 HydrophobicContact CE3-CE1 4.22Å; W1136-F1464 AromaticContact CH2-CE1 3.83Å; W1136-F1464 HydrophobicContact CH2-CE1 3.83Å; W1136-F1464 AromaticContact CH2-CZ 3.63Å; W1136-F1464 HydrophobicContact CH2-CZ 3.63Å; W1136-F1464 AromaticContact CZ2-CE1 3.79Å; W1136-F1464 HydrophobicContact CZ2-CE1 3.79Å; W1136-F1464 AromaticContact CZ2-CZ 3.96Å; W1136-F1464 HydrophobicContact CZ2-CZ 3.96Å; W1136-F1464 HydrophobicContact CZ3-CE1 4.04Å; W1136-F1464 AromaticContact CZ3-CZ 3.99Å; W1136-F1464 HydrophobicContact CZ3-CZ 3.99Å; I1460-F1464 HydrophobicContact CG2-CD2 3.8Å; I1460-F1464 HydrophobicContact CG2-CE2 3.69Å; I1460-F1464 WeakPolarHBondContact O-CD2 3.18Å; I1460-F1464 PolarHBondContact O-N 3.28Å; F1464-N1466 VanDerWaalsContact C-N 3.27Å; F1464-N1466 PolarHBondContact O-N 3.05Å; F1464-L1467 HydrophobicContact CD1-CD2 3.84Å; F1464-L1467 HydrophobicContact CE1-CD2 4.2Å; F1464-L1467 PolarHBondContact O-N 3.31Å |
| 1465 | A | 84.3 | Confident | 85.9 | Confident | 83 Ų | 83 | 57.6 Ų | 57.6 | 69% | 0.686 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -70.8 | -18.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114 | R1461 Y1463 | R1461-A1465 WeakPolarHBondContact O-CB 3.11Å; R1461-A1465 PolarHBondContact O-N 3Å; Y1463-A1465 VanDerWaalsContact C-N 3.31Å; Y1463-A1465 PolarHBondContact O-N 3.48Å |
| 1466 | N | 85.2 | Confident | 86.3 | Confident | 119 Ų | 119 | 56.6 Ų | 56.6 | 64% | 0.636 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -105 | -10.3 | 174.9 | -72.4 | -76 | 0 | 0 | 0 | 113.2 | T1462 Y1463 F1464 R1468 | T1462-N1466 PolarHBondContact O-N 2.87Å; T1462-N1466 PolarHBondContact O-ND2 2.67Å; Y1463-N1466 CarbonylContact O-C 3.56Å; Y1463-N1466 PolarHBondContact O-N 3.33Å; F1464-N1466 VanDerWaalsContact C-N 3.27Å; F1464-N1466 PolarHBondContact O-N 3.05Å; N1466-R1468 PolarHBondContact O-N 3.43Å; N1466-R1468 VanDerWaalsContact O-N 3.14Å |
| 1467 | L | 87.2 | Confident | 86.4 | Confident | 30 Ų | 30 | 57 Ų | 57 | 16% | 0.157 | 29% | 0.288 | C | S | . | . | trans | -64.7 | 110.8 | 178.4 | 178.7 | 66.5 | 0 | 0 | 0 | 110.2 | W1136 Y1463 F1464 V1469 | W1136-L1467 HydrophobicContact CB-CD2 4.43Å; W1136-L1467 VanDerWaalsContact CD1-CD2 3.47Å; W1136-L1467 HydrophobicContact CD2-CD2 4.4Å; W1136-L1467 HydrophobicContact CG-CD2 3.86Å; Y1463-L1467 PolarHBondContact O-N 3.13Å; F1464-L1467 HydrophobicContact CD1-CD2 3.84Å; F1464-L1467 HydrophobicContact CE1-CD2 4.2Å; F1464-L1467 PolarHBondContact O-N 3.31Å; L1467-V1469 HydrophobicContact CD1-CG2 4.45Å; L1467-V1469 HydrophobicContact CD2-CG2 3.79Å; L1467-V1469 HydrophobicContact CG-CG2 3.78Å | ||
| 1468 | R | 88.4 | Confident | 86.6 | Confident | 227 Ų | 227 | 59.8 Ų | 59.8 | 86% | 0.857 | 30% | 0.299 | S | S | * | . | trans | -96.1 | 103.9 | 167.8 | -70.8 | -176.4 | 177.5 | -105.7 | -1.8 | 108.4 | T1139 N1466 | T1139-R1468 WeakPolarHBondContact CG2-O 3.39Å; N1466-R1468 PolarHBondContact O-N 3.43Å; N1466-R1468 VanDerWaalsContact O-N 3.14Å | ||
| 1469 | V | 88.8 | Confident | 87 | Confident | 33 Ų | 33 | 60.9 Ų | 60.9 | 20% | 0.2 | 30% | 0.304 | C | S | . | . | trans | -78.7 | 134.1 | 176.2 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | R1132 L1467 Q1471 | R1132-V1469 HydrophobicContact CG-CG2 3.77Å; L1467-V1469 HydrophobicContact CD1-CG2 4.45Å; L1467-V1469 HydrophobicContact CD2-CG2 3.79Å; L1467-V1469 HydrophobicContact CG-CG2 3.78Å; V1469-Q1471 HydrophobicContact CG1-CG 4.26Å | ||
| 1470 | V | 89.3 | Confident | 87.1 | Confident | 29 Ų | 29 | 58 Ų | 58 | 18% | 0.176 | 29% | 0.294 | C | S | . | . | trans | -90.8 | 106.7 | 171.1 | 178.5 | 0 | 0 | 0 | 0 | 107.6 | T1139 D1472 L1475 L1476 | T1139-V1470 HydrophobicContact CG2-CB 4.29Å; T1139-V1470 HydrophobicContact CG2-CG2 3.97Å; T1139-V1470 PolarHBondContact OG1-N 3.36Å; V1470-D1472 VanDerWaalsContact C-N 3.31Å; V1470-D1472 HydrophobicContact CG1-CB 4.12Å; V1470-L1475 HydrophobicContact CB-CD2 4.47Å; V1470-L1475 HydrophobicContact CG1-CB 3.96Å; V1470-L1475 HydrophobicContact CG1-CD2 3.67Å; V1470-L1475 HydrophobicContact CG1-CG 4.37Å; V1470-L1475 HydrophobicContact CG2-CD2 3.95Å; V1470-L1476 HydrophobicContact CB-CD2 4.02Å; V1470-L1476 HydrophobicContact CB-CG 4.2Å; V1470-L1476 HydrophobicContact CG1-CD2 4.12Å; V1470-L1476 HydrophobicContact CG1-CG 3.83Å | ||
| 1471 | Q | 84.9 | Confident | 87 | Confident | 107 Ų | 107 | 60.2 Ų | 60.2 | 50% | 0.5 | 31% | 0.309 | S | S | . | . | trans | -90.3 | 1.3 | 174.1 | -63.3 | 176.8 | -33.1 | 0 | 0 | 112.5 | Y1135 V1469 P1473 | Y1135-Q1471 HydrophobicContact CD2-CB 4.17Å; Y1135-Q1471 HydrophobicContact CD2-CG 3.84Å; Y1135-Q1471 HydrophobicContact CE2-CB 4.42Å; Y1135-Q1471 HydrophobicContact CE2-CG 4.44Å; Y1135-Q1471 HydrophobicContact CG-CB 4.45Å; Y1135-Q1471 HydrophobicContact CG-CG 4.25Å; V1469-Q1471 HydrophobicContact CG1-CG 4.26Å; Q1471-P1473 WeakPolarHBondContact O-CD 3.39Å | ||
| 1472 | D | 84.9 | Confident | 87.2 | Confident | 75 Ų | 75 | 64.4 Ų | 64.4 | 40% | 0.401 | 33% | 0.325 | S | S | . | . | trans | -92.1 | 110.8 | -178.4 | 178.4 | 5.3 | 0 | 0 | 0 | 110.2 | V1470 E1474 L1475 L1476 | V1470-D1472 VanDerWaalsContact C-N 3.31Å; V1470-D1472 HydrophobicContact CG1-CB 4.12Å; D1472-E1474 VanDerWaalsContact C-N 3.33Å; D1472-E1474 PolarHBondContact O-N 2.99Å; D1472-E1474 PolarHBondContact OD1-N 2.76Å; D1472-E1474 VanDerWaalsContact OD1-N 3.09Å; D1472-L1475 HydrophobicContact CB-CB 4.07Å; D1472-L1475 PolarHBondContact O-N 3Å; D1472-L1476 PolarHBondContact O-N 3.49Å; D1472-L1476 VanDerWaalsContact O-N 3.09Å | ||
| 1473 | P | 80 | Confident | 87.4 | Confident | 31 Ų | 31 | 65.1 Ų | 65.1 | 20% | 0.201 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.9 | -35.5 | 179.3 | 23.5 | -31 | 0 | 0 | 0 | 112.6 | D3 Q1471 L1475 L1476 S1477 | D3-P1473 WeakPolarHBondContact OD1-CB 3.16Å; D3-P1473 WeakPolarHBondContact OD1-CG 3.41Å; Q1471-P1473 WeakPolarHBondContact O-CD 3.39Å; P1473-L1475 VanDerWaalsContact C-N 3.26Å; P1473-L1475 PolarHBondContact O-N 3.36Å; P1473-L1476 PolarHBondContact O-N 3.02Å; P1473-S1477 VanDerWaalsContact O-CB 3.25Å; P1473-S1477 WeakPolarHBondContact O-CB 3.46Å; P1473-S1477 PolarHBondContact O-N 2.96Å |
| 1474 | E | 81.1 | Confident | 87.2 | Confident | 86 Ų | 86 | 65 Ų | 65 | 40% | 0.402 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.9 | -42.8 | 177.4 | -76.5 | -164.4 | -169.5 | 0 | 0 | 110 | D3 D1472 Q1478 | D3-E1474 HydrophobicContact CB-CG 3.84Å; D3-E1474 VanDerWaalsContact CG-CG 3.42Å; D3-E1474 VanDerWaalsContact OD1-CG 3.27Å; D3-E1474 WeakPolarHBondContact OD1-CG 3.45Å; D3-E1474 PolarHBondContact OD1-N 3.13Å; D3-E1474 VanDerWaalsContact OD1-N 3.07Å; D3-E1474 VanDerWaalsContact OD2-CA 3.28Å; D3-E1474 WeakPolarHBondContact OD2-CA 3.31Å; D3-E1474 PolarHBondContact OD2-N 2.88Å; D1472-E1474 VanDerWaalsContact C-N 3.33Å; D1472-E1474 PolarHBondContact O-N 2.99Å; D1472-E1474 PolarHBondContact OD1-N 2.76Å; D1472-E1474 VanDerWaalsContact OD1-N 3.09Å; E1474-Q1478 VanDerWaalsContact O-CB 3.28Å; E1474-Q1478 WeakPolarHBondContact O-CB 3.49Å; E1474-Q1478 WeakPolarHBondContact O-CG 3.46Å; E1474-Q1478 PolarHBondContact O-N 2.73Å; E1474-Q1478 PolarHBondContact O-NE2 3Å |
| 1475 | L | 88.5 | Confident | 86.5 | Confident | 75 Ų | 75 | 67.9 Ų | 67.9 | 39% | 0.393 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -75 | -36.8 | -177.5 | -161 | 146.1 | 0 | 0 | 0 | 112.2 | V1470 D1472 P1473 L1479 | V1470-L1475 HydrophobicContact CB-CD2 4.47Å; V1470-L1475 HydrophobicContact CG1-CB 3.96Å; V1470-L1475 HydrophobicContact CG1-CD2 3.67Å; V1470-L1475 HydrophobicContact CG1-CG 4.37Å; V1470-L1475 HydrophobicContact CG2-CD2 3.95Å; D1472-L1475 HydrophobicContact CB-CB 4.07Å; D1472-L1475 PolarHBondContact O-N 3Å; P1473-L1475 VanDerWaalsContact C-N 3.26Å; P1473-L1475 PolarHBondContact O-N 3.36Å; L1475-L1479 HydrophobicContact CD2-CD1 3.67Å; L1475-L1479 HydrophobicContact CD2-CG 4.14Å; L1475-L1479 WeakPolarHBondContact O-CB 3.38Å; L1475-L1479 VanDerWaalsContact O-CG 3.27Å; L1475-L1479 WeakPolarHBondContact O-CG 3.49Å; L1475-L1479 PolarHBondContact O-N 2.78Å |
| 1476 | L | 88.7 | Confident | 85.2 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.4 | -44 | 171.4 | -73.2 | 172.9 | 0 | 0 | 0 | 111.9 | Y1135 P1138 C1142 P1184 V1470 D1472 P1473 L1479 S1480 | Y1135-L1476 HydrophobicContact CD1-CD1 4.02Å; P1138-L1476 HydrophobicContact CB-CD1 3.84Å; P1138-L1476 HydrophobicContact CB-CD2 4.1Å; C1142-L1476 HydrophobicContact CB-CD2 4.18Å; P1184-L1476 HydrophobicContact CB-CB 4.03Å; P1184-L1476 HydrophobicContact CG-CB 3.88Å; V1470-L1476 HydrophobicContact CB-CD2 4.02Å; V1470-L1476 HydrophobicContact CB-CG 4.2Å; V1470-L1476 HydrophobicContact CG1-CD2 4.12Å; V1470-L1476 HydrophobicContact CG1-CG 3.83Å; D1472-L1476 PolarHBondContact O-N 3.49Å; D1472-L1476 VanDerWaalsContact O-N 3.09Å; P1473-L1476 PolarHBondContact O-N 3.02Å; L1476-L1479 PolarHBondContact O-N 3.06Å; L1476-S1480 WeakPolarHBondContact O-CB 3.33Å; L1476-S1480 PolarHBondContact O-N 3.4Å |
| 1477 | S | 87.4 | Confident | 83.5 | Confident | 44 Ų | 44 | 67 Ų | 67 | 31% | 0.308 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 177.5 | -171.7 | 0 | 0 | 0 | 0 | 111.6 | P1473 L1479 S1480 S1481 | P1473-S1477 VanDerWaalsContact O-CB 3.25Å; P1473-S1477 WeakPolarHBondContact O-CB 3.46Å; P1473-S1477 PolarHBondContact O-N 2.96Å; S1477-L1479 PolarHBondContact O-N 3.3Å; S1477-S1480 PolarHBondContact O-N 2.83Å; S1477-S1481 WeakPolarHBondContact O-CB 3.43Å; S1477-S1481 PolarHBondContact O-N 2.75Å; S1477-S1481 PolarHBondContact O-OG 3.18Å |
| 1478 | Q | 88.9 | Confident | 80.9 | Confident | 82 Ų | 82 | 75.2 Ų | 75.2 | 38% | 0.383 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.2 | -35.8 | 172.8 | -77 | 177.8 | 59.6 | 0 | 0 | 113.6 | E1474 S1481 R1482 | E1474-Q1478 VanDerWaalsContact O-CB 3.28Å; E1474-Q1478 WeakPolarHBondContact O-CB 3.49Å; E1474-Q1478 WeakPolarHBondContact O-CG 3.46Å; E1474-Q1478 PolarHBondContact O-N 2.73Å; E1474-Q1478 PolarHBondContact O-NE2 3Å; Q1478-S1481 WeakPolarHBondContact CA-OG 3.41Å; Q1478-S1481 PolarHBondContact O-OG 3.45Å; Q1478-R1482 VanDerWaalsContact O-CD 3.28Å; Q1478-R1482 WeakPolarHBondContact O-CD 3.43Å; Q1478-R1482 WeakPolarHBondContact O-CG 3.38Å; Q1478-R1482 PolarHBondContact O-N 2.82Å; Q1478-R1482 PolarHBondContact O-NE 3.33Å; Q1478-R1482 VanDerWaalsContact OE1-NH2 3.14Å |
| 1479 | L | 90.2 | Very high | 78.1 | Confident | 32 Ų | 32 | 72.1 Ų | 72.1 | 17% | 0.168 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -68.9 | -49 | 174.7 | -78 | 173 | 0 | 0 | 0 | 111.2 | C1142 L1475 L1476 S1477 S1481 R1482 I1483 | C1142-L1479 HydrophobicContact CB-CB 4.02Å; C1142-L1479 WeakPolarHBondContact O-CB 3.45Å; L1475-L1479 HydrophobicContact CD2-CD1 3.67Å; L1475-L1479 HydrophobicContact CD2-CG 4.14Å; L1475-L1479 WeakPolarHBondContact O-CB 3.38Å; L1475-L1479 VanDerWaalsContact O-CG 3.27Å; L1475-L1479 WeakPolarHBondContact O-CG 3.49Å; L1475-L1479 PolarHBondContact O-N 2.78Å; L1476-L1479 PolarHBondContact O-N 3.06Å; S1477-L1479 PolarHBondContact O-N 3.3Å; L1479-S1481 PolarHBondContact O-N 3.18Å; L1479-R1482 PolarHBondContact O-N 2.88Å; L1479-I1483 WeakPolarHBondContact O-CG1 3.31Å; L1479-I1483 PolarHBondContact O-N 2.73Å |
| 1480 | S | 91 | Very high | 75.2 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -58.4 | -45.6 | 178.6 | -179.8 | 0 | 0 | 0 | 0 | 112.5 | P1184 R1187 L1188 L1476 S1477 R1482 I1483 E1484 | P1184-S1480 WeakPolarHBondContact O-CB 3.47Å; P1184-S1480 PolarHBondContact O-OG 3.17Å; R1187-S1480 VanDerWaalsContact CD-OG 3.25Å; R1187-S1480 WeakPolarHBondContact CD-OG 3.49Å; R1187-S1480 VanDerWaalsContact CG-OG 3.27Å; R1187-S1480 WeakPolarHBondContact CG-OG 3.3Å; R1187-S1480 PolarHBondContact NH1-O 3.07Å; R1187-S1480 PolarHBondContact NH1-OG 3.48Å; L1188-S1480 VanDerWaalsContact CD2-OG 3.26Å; L1188-S1480 WeakPolarHBondContact CD2-OG 3.14Å; L1476-S1480 WeakPolarHBondContact O-CB 3.33Å; L1476-S1480 PolarHBondContact O-N 3.4Å; S1477-S1480 PolarHBondContact O-N 2.83Å; S1480-R1482 VanDerWaalsContact C-N 3.32Å; S1480-R1482 PolarHBondContact O-N 3.34Å; S1480-I1483 PolarHBondContact O-N 3.41Å; S1480-I1483 VanDerWaalsContact O-N 3.12Å; S1480-E1484 PolarHBondContact O-N 3.44Å |
| 1481 | S | 87.2 | Confident | 72.4 | Confident | 50 Ų | 50 | 84.6 Ų | 84.6 | 35% | 0.35 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.8 | -26.2 | 179.5 | 52.8 | 0 | 0 | 0 | 0 | 114 | S1477 Q1478 L1479 P1485 | S1477-S1481 WeakPolarHBondContact O-CB 3.43Å; S1477-S1481 PolarHBondContact O-N 2.75Å; S1477-S1481 PolarHBondContact O-OG 3.18Å; Q1478-S1481 WeakPolarHBondContact CA-OG 3.41Å; Q1478-S1481 PolarHBondContact O-OG 3.45Å; L1479-S1481 PolarHBondContact O-N 3.18Å; S1481-P1485 WeakPolarHBondContact O-CA 3.33Å |
| 1482 | R | 89.3 | Confident | 69.6 | Low | 177 Ų | 177 | 84.2 Ų | 84.2 | 67% | 0.668 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -75.1 | -26.8 | 170.7 | -70.3 | 167.8 | -161.9 | -176.9 | 9.3 | 113.1 | Q1478 L1479 S1480 | Q1478-R1482 VanDerWaalsContact O-CD 3.28Å; Q1478-R1482 WeakPolarHBondContact O-CD 3.43Å; Q1478-R1482 WeakPolarHBondContact O-CG 3.38Å; Q1478-R1482 PolarHBondContact O-N 2.82Å; Q1478-R1482 PolarHBondContact O-NE 3.33Å; Q1478-R1482 VanDerWaalsContact OE1-NH2 3.14Å; L1479-R1482 PolarHBondContact O-N 2.88Å; S1480-R1482 VanDerWaalsContact C-N 3.32Å; S1480-R1482 PolarHBondContact O-N 3.34Å |
| 1483 | I | 90.2 | Very high | 66.9 | Low | 34 Ų | 34 | 87.3 Ų | 87.3 | 17% | 0.174 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -87.9 | -43.7 | -177.3 | -72.6 | 178.4 | 0 | 0 | 0 | 111.9 | C1142 T1145 L1479 S1480 | C1142-I1483 WeakPolarHBondContact O-CD1 3.47Å; T1145-I1483 HydrophobicContact CG2-CD1 4.37Å; T1145-I1483 HydrophobicContact CG2-CG1 4.34Å; L1479-I1483 WeakPolarHBondContact O-CG1 3.31Å; L1479-I1483 PolarHBondContact O-N 2.73Å; S1480-I1483 PolarHBondContact O-N 3.41Å; S1480-I1483 VanDerWaalsContact O-N 3.12Å |
| 1484 | E | 87.4 | Confident | 64.3 | Low | 11 Ų | 11 | 93.8 Ų | 93.8 | 5% | 0.051 | 53% | 0.525 | C | S | . | . | S | Bend | trans | -127.5 | 90.4 | 170.9 | -73.3 | 179.3 | -138.6 | 0 | 0 | 109.4 | R1150 R1187 L1188 K1189 Q1190 T1191 S1480 | R1150-E1484 IonicContact CZ-OE1 3.72Å; R1150-E1484 IonicContact NE-OE1 2.62Å; R1150-E1484 IonicContact NH2-OE1 3.96Å; R1150-E1484 PolarHBondContact NH2-OE1 2.84Å; R1187-E1484 PolarHBondContact NH1-O 2.89Å; R1187-E1484 PolarHBondContact NH2-O 3.02Å; L1188-E1484 VanDerWaalsContact CA-OE2 3.32Å; L1188-E1484 WeakPolarHBondContact CA-OE2 3.39Å; L1188-E1484 HydrophobicContact CD2-CB 3.86Å; L1188-E1484 HydrophobicContact CD2-CG 4.02Å; K1189-E1484 PolarHBondContact N-OE2 2.79Å; Q1190-E1484 WeakPolarHBondContact CB-OE2 3.4Å; Q1190-E1484 WeakPolarHBondContact CG-OE2 3.06Å; Q1190-E1484 PolarHBondContact N-OE2 2.78Å; T1191-E1484 PolarHBondContact N-OE1 2.95Å; T1191-E1484 PolarHBondContact OG1-OE1 3.36Å; S1480-E1484 PolarHBondContact O-N 3.44Å |
| 1485 | P | 74.7 | Confident | 61.8 | Low | 99 Ų | 99 | 95.5 Ų | 95.5 | 64% | 0.643 | 54% | 0.543 | S | S | * | . | trans | -69.9 | 137.1 | 176.3 | 27.5 | -33.8 | 0 | 0 | 0 | 111.2 | S1481 G1487 | S1481-P1485 WeakPolarHBondContact O-CA 3.33Å; P1485-G1487 PolarHBondContact O-N 2.82Å; P1485-G1487 VanDerWaalsContact O-N 3.16Å | ||
| 1486 | S | 56.9 | Low | 58.8 | Low | 105 Ų | 105 | 101 Ų | 101 | 73% | 0.734 | 56% | 0.564 | S | S | * | * | trans | -70.7 | 107.1 | -176.4 | 35.9 | 0 | 0 | 0 | 0 | 111.8 | K1488 | S1486-K1488 PolarHBondContact O-N 3.33Š| ||
| 1487 | G | 47.6 | Very low | 55.7 | Low | 80 Ų | 80 | 106.9 Ų | 106.9 | 83% | 0.825 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -70.9 | 79.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | P1485 | P1485-G1487 PolarHBondContact O-N 2.82Å; P1485-G1487 VanDerWaalsContact O-N 3.16Å |
| 1488 | K | 33.9 | Very low | 52.8 | Low | 201 Ų | 201 | 111.3 Ų | 111.3 | 87% | 0.874 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -138.9 | 32.3 | 160 | -105.1 | -167.5 | -174.3 | -179.2 | 0 | 114.5 | S1486 | S1486-K1488 PolarHBondContact O-N 3.33Š|
| 1489 | D | 28.8 | Very low | 49.7 | Very low | 162 Ų | 162 | 111.8 Ų | 111.8 | 87% | 0.866 | 64% | 0.637 | S | S | * | * | trans | -154.5 | 121.3 | 156.7 | -110.7 | -35 | 0 | 0 | 0 | 111.1 | ||||
| 1490 | S | 29.3 | Very low | 46.5 | Very low | 119 Ų | 119 | 115.2 Ų | 115.2 | 83% | 0.832 | 66% | 0.664 | S | S | * | * | trans | -154.5 | 63.2 | 179.7 | 51.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1491 | K | 30.4 | Very low | 43.3 | Very low | 205 Ų | 205 | 121.9 Ų | 121.9 | 89% | 0.891 | 70% | 0.704 | S | S | * | * | trans | -87.2 | 131.5 | 149.9 | -81.3 | -171.9 | 174.8 | 179.9 | 0 | 109.2 | ||||
| 1492 | A | 26.1 | Very low | 40.3 | Very low | 99 Ų | 99 | 122.5 Ų | 122.5 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | trans | -63.2 | 133.4 | -158 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1493 | V | 27.3 | Very low | 37.2 | Very low | 141 Ų | 141 | 120.3 Ų | 120.3 | 86% | 0.855 | 72% | 0.719 | S | S | * | * | trans | -129.1 | 126.8 | 146.9 | 179.9 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1494 | Q | 26.1 | Very low | 34.3 | Very low | 166 Ų | 166 | 125.1 Ų | 125.1 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | -80.8 | 140.9 | 177.4 | -68.6 | -168.5 | 4.9 | 0 | 0 | 111 | F1496 | Q1494-F1496 PolarHBondContact O-N 3.12Š| ||
| 1495 | P | 27.2 | Very low | 31.2 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | trans | -74.5 | 112.9 | 167.9 | 30.6 | -31.3 | 0 | 0 | 0 | 109.3 | V1497 | P1495-V1497 PolarHBondContact O-N 3.19Š| ||
| 1496 | F | 25.9 | Very low | 29.1 | Very low | 191 Ų | 191 | 132.1 Ų | 132.1 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -68.3 | 124 | 176.2 | -118.5 | -88.2 | 0 | 0 | 0 | 110.7 | Q1494 V1498 | Q1494-F1496 PolarHBondContact O-N 3.12Å; F1496-V1498 PolarHBondContact O-N 3.01Å | ||
| 1497 | V | 24.2 | Very low | 27.7 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 76% | 0.758 | 79% | 0.786 | S | S | * | * | trans | -68.6 | 122.8 | 168.4 | 177.3 | 0 | 0 | 0 | 0 | 108.5 | P1495 | P1495-V1497 PolarHBondContact O-N 3.19Š| ||
| 1498 | V | 25.3 | Very low | 26.7 | Very low | 136 Ų | 136 | 134.2 Ų | 134.2 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | -128.6 | 97.9 | 172.1 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | F1496 | F1496-V1498 PolarHBondContact O-N 3.01Š| ||
| 1499 | S | 24.1 | Very low | 26.5 | Very low | 92 Ų | 92 | 130.4 Ų | 130.4 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | trans | -130.6 | 115.3 | 170.3 | 56.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1500 | S | 23.9 | Very low | 26.7 | Very low | 105 Ų | 105 | 128.4 Ų | 128.4 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 59.1 | 114.1 | 159.5 | 57.7 | 0 | 0 | 0 | 0 | 120.2 | ||
| 1501 | V | 23.9 | Very low | 26.8 | Very low | 139 Ų | 139 | 128 Ų | 128 | 84% | 0.842 | 76% | 0.76 | S | S | * | * | trans | 70.4 | 130 | 144.8 | -175.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1502 | G | 24.4 | Very low | 26.9 | Very low | 64 Ų | 64 | 123.3 Ų | 123.3 | 66% | 0.66 | 75% | 0.749 | S | S | * | * | cis | 155.8 | -175.1 | -7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1503 | I | 23.7 | Very low | 27.1 | Very low | 130 Ų | 130 | 124.3 Ų | 124.3 | 67% | 0.667 | 75% | 0.745 | S | S | * | * | trans | 68.6 | 111.4 | 162.6 | -50.5 | 174.1 | 0 | 0 | 0 | 117.3 | D1505 | I1503-D1505 WeakPolarHBondContact CG2-OD2 3.42Š| ||
| 1504 | T | 28.8 | Very low | 27.3 | Very low | 135 Ų | 135 | 123.8 Ų | 123.8 | 83% | 0.828 | 74% | 0.737 | S | S | * | * | trans | -174.1 | 101 | 130.3 | 13.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1505 | D | 23 | Very low | 27.5 | Very low | 125 Ų | 125 | 121.4 Ų | 121.4 | 67% | 0.668 | 73% | 0.73 | S | S | * | * | 62.8 | 111.1 | 65.2 | -66.9 | -19.9 | 0 | 0 | 0 | 114.4 | I1503 | I1503-D1505 WeakPolarHBondContact CG2-OD2 3.42Š| |||
| 1506 | T | 30.5 | Very low | 27.8 | Very low | 132 Ų | 132 | 120.9 Ų | 120.9 | 81% | 0.81 | 72% | 0.721 | S | S | * | * | trans | -170.7 | 83.1 | 153.2 | 7.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1507 | T | 26.4 | Very low | 28.1 | Very low | 114 Ų | 114 | 117.4 Ų | 117.4 | 70% | 0.699 | 71% | 0.711 | S | S | * | * | 70.7 | 158.5 | 81.7 | 71.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1508 | T | 27 | Very low | 28.5 | Very low | 116 Ų | 116 | 116.8 Ų | 116.8 | 71% | 0.712 | 70% | 0.703 | S | S | * | * | cis | -157.7 | -175.5 | 23.7 | -29.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1509 | T | 30.9 | Very low | 28.8 | Very low | 121 Ų | 121 | 116.1 Ų | 116.1 | 74% | 0.742 | 70% | 0.695 | S | S | * | * | trans | 89 | 130.2 | 168.9 | 74.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1510 | T | 31.5 | Very low | 29.1 | Very low | 120 Ų | 120 | 117 Ų | 117 | 74% | 0.736 | 69% | 0.692 | S | S | * | * | cis | -162.1 | 162.7 | -9.3 | 12 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1511 | T | 32.2 | Very low | 29.5 | Very low | 109 Ų | 109 | 117.3 Ų | 117.3 | 67% | 0.669 | 69% | 0.686 | S | S | * | * | cis | -162.7 | 154.5 | 17.1 | 0.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1512 | T | 31.7 | Very low | 29.9 | Very low | 108 Ų | 108 | 116 Ų | 116 | 66% | 0.663 | 68% | 0.675 | S | S | * | * | trans | 60.8 | 119.7 | 141.9 | 60.3 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1513 | T | 31.4 | Very low | 30.2 | Very low | 120 Ų | 120 | 119 Ų | 119 | 74% | 0.736 | 68% | 0.675 | S | S | * | * | 68.4 | 147.3 | 124.9 | 60.7 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 1514 | N | 30.4 | Very low | 30.5 | Very low | 129 Ų | 129 | 118 Ų | 118 | 69% | 0.69 | 67% | 0.671 | S | S | * | * | cis | -172.7 | 169.2 | -27.2 | -132 | 8.4 | 0 | 0 | 0 | 109.4 | ||||
| 1515 | N | 32 | Very low | 30.6 | Very low | 116 Ų | 116 | 117.2 Ų | 117.2 | 62% | 0.62 | 66% | 0.662 | S | S | * | * | trans | 69 | 147 | 146.1 | -70.4 | 8.8 | 0 | 0 | 0 | 119 | ||||
| 1516 | N | 32.2 | Very low | 30.9 | Very low | 111 Ų | 111 | 117.3 Ų | 117.3 | 59% | 0.594 | 66% | 0.662 | S | S | * | * | cis | -165.4 | 166.7 | -7.6 | -120.5 | 0.8 | 0 | 0 | 0 | 114.1 | ||||
| 1517 | N | 32.5 | Very low | 30.8 | Very low | 119 Ų | 119 | 117.2 Ų | 117.2 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | trans | 70.4 | 150.4 | 144.3 | -69.6 | 7.6 | 0 | 0 | 0 | 118.5 | ||||
| 1518 | N | 32 | Very low | 31.1 | Very low | 112 Ų | 112 | 117.8 Ų | 117.8 | 60% | 0.599 | 66% | 0.656 | S | S | * | * | cis | -150.1 | 139.7 | 0.9 | -117.7 | 1.3 | 0 | 0 | 0 | 108.4 | ||||
| 1519 | N | 31.5 | Very low | 31.2 | Very low | 121 Ų | 121 | 118.5 Ų | 118.5 | 65% | 0.647 | 66% | 0.655 | S | S | * | * | 65.4 | 143 | 90.1 | -70.8 | 14.4 | 0 | 0 | 0 | 114.1 | |||||
| 1520 | N | 32.1 | Very low | 31.3 | Very low | 110 Ų | 110 | 118.8 Ų | 118.8 | 59% | 0.588 | 65% | 0.652 | S | S | * | * | cis | -166.5 | 154.5 | 11.7 | -121.6 | 8 | 0 | 0 | 0 | 112.4 | ||||
| 1521 | N | 31.4 | Very low | 31.2 | Very low | 113 Ų | 113 | 119.9 Ų | 119.9 | 60% | 0.604 | 65% | 0.654 | S | S | * | * | trans | 61.6 | 158.5 | 132.8 | -64.6 | 12.1 | 0 | 0 | 0 | 121.4 | ||||
| 1522 | N | 31.2 | Very low | 31.5 | Very low | 112 Ų | 112 | 119.9 Ų | 119.9 | 60% | 0.599 | 66% | 0.656 | S | S | * | * | cis | -169 | 158.9 | -14.6 | -108.6 | 8.4 | 0 | 0 | 0 | 110.4 | ||||
| 1523 | N | 31.7 | Very low | 31.1 | Very low | 125 Ų | 125 | 120.6 Ų | 120.6 | 67% | 0.668 | 66% | 0.66 | S | S | * | * | trans | 62.2 | 156.8 | 140 | -64.5 | 25.2 | 0 | 0 | 0 | 119.3 | ||||
| 1524 | N | 29.9 | Very low | 31.1 | Very low | 109 Ų | 109 | 120.9 Ų | 120.9 | 58% | 0.583 | 66% | 0.657 | S | S | * | * | cis | -160.8 | 167.3 | -11.7 | -120 | 30.8 | 0 | 0 | 0 | 112 | ||||
| 1525 | D | 30.9 | Very low | 30.9 | Very low | 120 Ų | 120 | 123 Ų | 123 | 64% | 0.642 | 66% | 0.663 | S | S | * | * | trans | 70.1 | 131.2 | 139.5 | -63.7 | -18.3 | 0 | 0 | 0 | 124.9 | ||||
| 1526 | N | 30.2 | Very low | 30.9 | Very low | 126 Ų | 126 | 120.9 Ų | 120.9 | 67% | 0.674 | 67% | 0.668 | S | S | * | * | trans | 89 | 109.4 | 132.5 | -72.6 | -15 | 0 | 0 | 0 | 123.3 | ||||
| 1527 | N | 28.1 | Very low | 30.9 | Very low | 130 Ų | 130 | 123.6 Ų | 123.6 | 70% | 0.695 | 68% | 0.683 | S | S | * | * | 103.9 | 148.1 | 114.1 | -80.7 | -11.4 | 0 | 0 | 0 | 122.3 | |||||
| 1528 | N | 31.4 | Very low | 30.6 | Very low | 126 Ų | 126 | 121.2 Ų | 121.2 | 67% | 0.674 | 69% | 0.686 | S | S | * | * | trans | 83.1 | 116.1 | 153.1 | -66.3 | -11.2 | 0 | 0 | 0 | 120.8 | ||||
| 1529 | N | 30.5 | Very low | 30.9 | Very low | 131 Ų | 131 | 121.9 Ų | 121.9 | 70% | 0.701 | 70% | 0.696 | S | S | * | * | 74.4 | 144.8 | 123.3 | -60.6 | 1.6 | 0 | 0 | 0 | 118.8 | |||||
| 1530 | N | 33.4 | Very low | 30.7 | Very low | 128 Ų | 128 | 124.3 Ų | 124.3 | 68% | 0.684 | 70% | 0.704 | S | S | * | * | cis | -153.7 | 159.8 | 4.5 | -106.7 | -11.5 | 0 | 0 | 0 | 111.7 | ||||
| 1531 | N | 29 | Very low | 30.3 | Very low | 143 Ų | 143 | 125.3 Ų | 125.3 | 77% | 0.765 | 71% | 0.708 | S | S | * | * | trans | 32.6 | 145.6 | 151.4 | -66.9 | 4.7 | 0 | 0 | 0 | 124.5 | ||||
| 1532 | P | 37 | Very low | 29.9 | Very low | 109 Ų | 109 | 126.3 Ų | 126.3 | 71% | 0.708 | 71% | 0.714 | S | S | * | * | trans | -87.2 | -163.6 | 157.7 | 40.5 | -36 | 0 | 0 | 0 | 112.3 | ||||
| 1533 | T | 24.2 | Very low | 29.8 | Very low | 122 Ų | 122 | 126.8 Ų | 126.8 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | trans | 63.1 | 112.6 | 169.5 | 57.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1534 | N | 31.2 | Very low | 29.4 | Very low | 126 Ų | 126 | 125.4 Ų | 125.4 | 67% | 0.674 | 72% | 0.721 | S | S | * | * | -162.7 | 130.3 | 113.3 | -107.6 | 30.2 | 0 | 0 | 0 | 109.4 | |||||
| 1535 | E | 27.5 | Very low | 29.4 | Very low | 175 Ų | 175 | 126.5 Ų | 126.5 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | 66 | 126.5 | 86.6 | -64.9 | -171.3 | 147.2 | 0 | 0 | 114 | |||||
| 1536 | G | 31.5 | Very low | 29.3 | Very low | 70 Ų | 70 | 128 Ų | 128 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | trans | 155 | 56.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1537 | N | 31.1 | Very low | 29.6 | Very low | 169 Ų | 169 | 127.6 Ų | 127.6 | 90% | 0.904 | 74% | 0.738 | S | S | * | * | trans | 54.3 | 130.5 | 153.5 | -56.7 | -18.3 | 0 | 0 | 0 | 121.4 | ||||
| 1538 | G | 26.1 | Very low | 29.6 | Very low | 68 Ų | 68 | 127.1 Ų | 127.1 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | trans | -92.2 | -133.9 | 159.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1539 | P | 38.5 | Very low | 29.4 | Very low | 126 Ų | 126 | 125.6 Ų | 125.6 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | -127.8 | -159.9 | -96.2 | 41.5 | -30.7 | 0 | 0 | 0 | 113.2 | |||||
| 1540 | Q | 28 | Very low | 29.2 | Very low | 173 Ų | 173 | 125.4 Ų | 125.4 | 81% | 0.808 | 74% | 0.741 | S | S | * | * | trans | 91.4 | 147.2 | -176.8 | -58.7 | -167.5 | 10.3 | 0 | 0 | 115.2 | ||||
| 1541 | L | 23.1 | Very low | 29 | Very low | 131 Ų | 131 | 124.3 Ų | 124.3 | 69% | 0.686 | 74% | 0.735 | S | S | * | * | cis | -168.1 | 169.1 | -23 | -111.2 | 171.8 | 0 | 0 | 0 | 107.3 | ||||
| 1542 | N | 24.3 | Very low | 28.8 | Very low | 134 Ų | 134 | 123.6 Ų | 123.6 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | trans | 72.6 | 157.4 | 156.3 | -66.6 | 2.2 | 0 | 0 | 0 | 121.4 | ||||
| 1543 | T | 28.4 | Very low | 28.4 | Very low | 122 Ų | 122 | 124 Ų | 124 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | trans | 64.3 | 80.7 | 160.2 | 45.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1544 | S | 23.3 | Very low | 28.7 | Very low | 96 Ų | 96 | 128.3 Ų | 128.3 | 67% | 0.671 | 74% | 0.74 | S | S | * | * | 63.5 | 171.3 | 107 | 76.1 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 1545 | N | 30.4 | Very low | 28.4 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | 84.4 | 107.2 | 165.3 | -54.3 | -2.4 | 0 | 0 | 0 | 118.2 | ||||
| 1546 | L | 27.4 | Very low | 28.7 | Very low | 150 Ų | 150 | 131.1 Ų | 131.1 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | 52.4 | 112 | 124.2 | -71.2 | 141.8 | 0 | 0 | 0 | 119.5 | |||||
| 1547 | P | 36.3 | Very low | 28.4 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | trans | -61.2 | 148 | 134.3 | 32.3 | -34.9 | 0 | 0 | 0 | 109.1 | ||||
| 1548 | P | 30 | Very low | 28.5 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | -146.7 | -173 | 69.2 | 39.6 | -20.1 | 0 | 0 | 0 | 116.3 | |||||
| 1549 | S | 25.7 | Very low | 28.5 | Very low | 95 Ų | 95 | 137.4 Ų | 137.4 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | trans | -57.3 | 170.8 | 174.5 | 73.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1550 | N | 27.1 | Very low | 28 | Very low | 127 Ų | 127 | 138.8 Ų | 138.8 | 68% | 0.679 | 76% | 0.758 | S | S | * | * | cis | -168.9 | -176.5 | 33.1 | -145.4 | -33.4 | 0 | 0 | 0 | 114.1 | ||||
| 1551 | N | 28.9 | Very low | 27.7 | Very low | 105 Ų | 105 | 135.4 Ų | 135.4 | 56% | 0.561 | 75% | 0.753 | S | S | * | * | trans | 87.4 | 81.9 | 150 | -72.6 | -43.8 | 0 | 0 | 0 | 122.2 | ||||
| 1552 | N | 26 | Very low | 27.9 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 68% | 0.684 | 75% | 0.753 | S | S | * | * | 83.1 | 141.5 | 102.6 | -92.9 | -52 | 0 | 0 | 0 | 124.3 | |||||
| 1553 | T | 26.7 | Very low | 28 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | trans | 69.6 | 110.1 | 155.9 | 56.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1554 | K | 32 | Very low | 27.9 | Very low | 211 Ų | 211 | 137 Ų | 137 | 92% | 0.917 | 76% | 0.759 | S | S | * | * | -143.8 | 136.2 | 122.5 | -141.2 | 165.2 | -166.9 | 166.2 | 0 | 112.2 | |||||
| 1555 | L | 25 | Very low | 27.9 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | trans | -79.6 | 144.5 | 178.4 | -67.6 | 72.9 | 0 | 0 | 0 | 111 | ||||
| 1556 | K | 32.2 | Very low | 27.7 | Very low | 212 Ų | 212 | 137.3 Ų | 137.3 | 92% | 0.922 | 77% | 0.766 | S | S | * | * | -169.4 | 128.5 | 108.7 | -100.6 | 167.2 | -176.9 | -179 | 0 | 110.1 | |||||
| 1557 | G | 26.9 | Very low | 27.5 | Very low | 77 Ų | 77 | 134.3 Ų | 134.3 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | trans | -96.5 | 164.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1558 | I | 31.8 | Very low | 27 | Very low | 177 Ų | 177 | 137.8 Ų | 137.8 | 91% | 0.908 | 77% | 0.769 | S | S | * | * | trans | -113.1 | 160.6 | 156.9 | -73.7 | 177.1 | 0 | 0 | 0 | 107.8 | ||||
| 1559 | K | 27 | Very low | 26.5 | Very low | 186 Ų | 186 | 137.8 Ų | 137.8 | 81% | 0.809 | 77% | 0.772 | S | S | * | * | trans | -72.4 | 169.1 | -165.6 | -58.8 | 173.6 | -179.8 | 172.6 | 0 | 113.6 | ||||
| 1560 | L | 27.8 | Very low | 26.5 | Very low | 155 Ų | 155 | 139.1 Ų | 139.1 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | 80.5 | 125.9 | 168.9 | -48.7 | 174.6 | 0 | 0 | 0 | 114.3 | ||||
| 1561 | S | 21.2 | Very low | 26.3 | Very low | 101 Ų | 101 | 139 Ų | 139 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | cis | 56.8 | 134.4 | -3.7 | 70.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1562 | P | 28.4 | Very low | 26.2 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | cis | -126.1 | 155.2 | -1.6 | 40.8 | -25.6 | 0 | 0 | 0 | 115.6 | ||||
| 1563 | T | 25.2 | Very low | 26 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | 64.3 | 130.8 | 142 | 52.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1564 | K | 26.9 | Very low | 25.8 | Very low | 192 Ų | 192 | 140.4 Ų | 140.4 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | 81.1 | 93.1 | 138.8 | -74.2 | -177.7 | 176.6 | -173.7 | 0 | 120.6 | ||||
| 1565 | T | 23.7 | Very low | 25.4 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | trans | -43.1 | 144.6 | 132.1 | -20.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1566 | S | 24.7 | Very low | 25.5 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | 53.7 | 136.3 | 156.8 | 56.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1567 | A | 25 | Very low | 25.2 | Very low | 87 Ų | 87 | 133.4 Ų | 133.4 | 72% | 0.719 | 77% | 0.768 | S | S | * | * | cis | -162.2 | 163 | -14.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1568 | Q | 24.4 | Very low | 25.1 | Very low | 192 Ų | 192 | 138.9 Ų | 138.9 | 90% | 0.897 | 77% | 0.77 | S | S | * | * | trans | 54.3 | 93.6 | 162.7 | -62.8 | -178.8 | -0.9 | 0 | 0 | 119.1 | ||||
| 1569 | S | 21.2 | Very low | 24.8 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | -162.6 | 142.6 | 121.1 | 59.1 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1570 | V | 23.8 | Very low | 24.5 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | trans | -31.8 | 156.1 | 152.8 | -151.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1571 | V | 24.5 | Very low | 24.7 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | -168.9 | 169 | 58.5 | -149.3 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1572 | V | 25.1 | Very low | 24.8 | Very low | 124 Ų | 124 | 136.4 Ų | 136.4 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | 88 | 137.1 | 153.5 | 162.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1573 | E | 22.2 | Very low | 24.7 | Very low | 163 Ų | 163 | 140.3 Ų | 140.3 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | cis | -169 | 162.6 | -29.4 | -155.4 | 158.9 | -152.9 | 0 | 0 | 111.6 | ||||
| 1574 | S | 22.8 | Very low | 24.5 | Very low | 94 Ų | 94 | 140.2 Ų | 140.2 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | trans | 89.2 | 123 | 145.1 | 84 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1575 | N | 23.9 | Very low | 24.5 | Very low | 136 Ų | 136 | 138.4 Ų | 138.4 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | 105.4 | 80.7 | 130 | -67.9 | -16 | 0 | 0 | 0 | 125 | |||||
| 1576 | T | 26.6 | Very low | 24.5 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 64% | 0.644 | 76% | 0.764 | S | S | * | * | 96.2 | 133.2 | 114.6 | 63.3 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 1577 | K | 25.6 | Very low | 24.7 | Very low | 183 Ų | 183 | 140.1 Ų | 140.1 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | trans | 74.6 | 142.9 | 146 | -71.3 | 156.6 | -173.7 | 171.3 | 0 | 118.7 | ||||
| 1578 | K | 25.4 | Very low | 24.5 | Very low | 191 Ų | 191 | 141.9 Ų | 141.9 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | cis | -168.5 | 161.1 | -22.7 | -142.2 | 179.8 | -174.9 | -179.3 | 0 | 111.1 | ||||
| 1579 | K | 25.3 | Very low | 24.6 | Very low | 205 Ų | 205 | 138.7 Ų | 138.7 | 89% | 0.891 | 76% | 0.762 | S | S | * | * | trans | 88.7 | 146.1 | 165.6 | -65.6 | -172.4 | 174.4 | -176.4 | 0 | 118.5 | ||||
| 1580 | S | 21.2 | Very low | 24.6 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -123.6 | 179.2 | -177.9 | 56.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1581 | P | 32.2 | Very low | 24.6 | Very low | 109 Ų | 109 | 142.2 Ų | 142.2 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | -156.6 | 162 | 81.9 | 41.5 | -21.4 | 0 | 0 | 0 | 119.5 | |||||
| 1582 | L | 23.7 | Very low | 24.5 | Very low | 145 Ų | 145 | 140.9 Ų | 140.9 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | 78.7 | 102.2 | 139.3 | -77.6 | 165 | 0 | 0 | 0 | 124.7 | ||||
| 1583 | K | 24.8 | Very low | 24.4 | Very low | 188 Ų | 188 | 139.5 Ų | 139.5 | 82% | 0.817 | 76% | 0.762 | S | S | * | * | 99.1 | 143 | 113.5 | -121.2 | -174.4 | -171.5 | -178.1 | 0 | 121.5 | |||||
| 1584 | V | 21.8 | Very low | 24.5 | Very low | 120 Ų | 120 | 138.1 Ų | 138.1 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -125.9 | 146 | -178 | 170.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1585 | I | 27.3 | Very low | 24.6 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | -140.3 | 112.6 | 152.3 | -58 | -174.9 | 0 | 0 | 0 | 103.6 | ||||
| 1586 | N | 24.1 | Very low | 24.7 | Very low | 135 Ų | 135 | 137.5 Ų | 137.5 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | 52.1 | 140.5 | 93 | -78.1 | 7 | 0 | 0 | 0 | 113.6 | |||||
| 1587 | I | 27.6 | Very low | 24.4 | Very low | 137 Ų | 137 | 137.1 Ų | 137.1 | 70% | 0.703 | 77% | 0.774 | S | S | * | * | cis | -136.1 | 141.2 | 23.7 | -60.4 | 165.9 | 0 | 0 | 0 | 110.9 | T1589 | I1587-T1589 HydrophobicContact CG2-CG2 3.95Š| ||
| 1588 | S | 20.7 | Very low | 24.4 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -131.6 | 131 | 154.5 | -59.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1589 | T | 26.3 | Very low | 24.2 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | trans | -134.8 | 73.7 | 175.9 | 52.3 | 0 | 0 | 0 | 0 | 111.2 | I1587 | I1587-T1589 HydrophobicContact CG2-CG2 3.95Š| ||
| 1590 | E | 21.3 | Very low | 24.1 | Very low | 200 Ų | 200 | 120.6 Ų | 120.6 | 94% | 0.935 | 73% | 0.726 | S | S | * | * | trans | -87.4 | 136.3 | 145.9 | -68.2 | -171.7 | 147.7 | 0 | 0 | 107.9 | ||||
| 1591 | S | 23.9 | Very low | 24.1 | Very low | 117 Ų | 117 | 119.4 Ų | 119.4 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | trans | -136.4 | 114.4 | 173.5 | 60.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 1592 | S | 23.1 | Very low | 23.5 | Very low | 96 Ų | 96 | 119.7 Ų | 119.7 | 67% | 0.671 | 73% | 0.727 | S | S | * | * | trans | -74.5 | 162.5 | 173.4 | 64.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 1593 | S | 22.7 | Very low | 23.6 | Very low | 94 Ų | 94 | 121 Ų | 121 | 66% | 0.657 | 73% | 0.733 | S | S | * | * | trans | 52.5 | 104.5 | 145.5 | 60.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1594 | V | 24.2 | Very low | 23.5 | Very low | 134 Ų | 134 | 118.1 Ų | 118.1 | 81% | 0.812 | 73% | 0.732 | S | S | * | * | trans | -109.8 | 116.8 | 157.2 | 179.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1595 | P | 25.2 | Very low | 23.7 | Very low | 100 Ų | 100 | 117.8 Ų | 117.8 | 65% | 0.649 | 73% | 0.734 | S | S | * | * | trans | -99.8 | 117.6 | 162.2 | 33.3 | -26 | 0 | 0 | 0 | 110.9 | ||||
| 1596 | P | 24.7 | Very low | 23.4 | Very low | 117 Ų | 117 | 117.3 Ų | 117.3 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | trans | -108.7 | 162.1 | 167.4 | 35.8 | -25.8 | 0 | 0 | 0 | 112.5 | ||||
| 1597 | A | 21.6 | Very low | 23.6 | Very low | 98 Ų | 98 | 117.1 Ų | 117.1 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | trans | -95.8 | 162.7 | -174 | 0 | 0 | 0 | 0 | 0 | 114 | V1599 | A1597-V1599 PolarHBondContact O-N 2.92Š| ||
| 1598 | T | 24.6 | Very low | 23.3 | Very low | 121 Ų | 121 | 116 Ų | 116 | 74% | 0.742 | 74% | 0.74 | S | S | * | * | trans | -60.3 | 119.4 | 176.6 | -52.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1599 | V | 21.8 | Very low | 23.4 | Very low | 65 Ų | 65 | 118 Ų | 118 | 39% | 0.394 | 74% | 0.74 | S | S | . | * | trans | -150.8 | 153.8 | 142.3 | -114.7 | 0 | 0 | 0 | 0 | 108.8 | R976 L977 A1597 | R976-V1599 HydrophobicContact CB-CB 4.47Å; R976-V1599 HydrophobicContact CB-CG1 3.7Å; R976-V1599 HydrophobicContact CG-CG1 3.93Å; L977-V1599 HydrophobicContact CD2-CB 3.65Å; L977-V1599 HydrophobicContact CD2-CG2 3.86Å; L977-V1599 HydrophobicContact CG-CB 3.94Å; A1597-V1599 PolarHBondContact O-N 2.92Å | ||
| 1600 | A | 23.1 | Very low | 23.4 | Very low | 45 Ų | 45 | 119.7 Ų | 119.7 | 37% | 0.372 | 74% | 0.742 | S | S | . | * | trans | -144 | 148.6 | -167.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R976 | R976-A1600 WeakPolarHBondContact CB-O 3.44Å; R976-A1600 VanDerWaalsContact CD-O 3.3Å; R976-A1600 WeakPolarHBondContact CD-O 3.47Å | ||
| 1601 | A | 21.7 | Very low | 23.4 | Very low | 84 Ų | 84 | 120.7 Ų | 120.7 | 69% | 0.694 | 74% | 0.743 | S | S | * | * | trans | -147.6 | 158 | 163 | 0 | 0 | 0 | 0 | 0 | 109.5 | L977 | L977-A1601 HydrophobicContact CD1-CB 3.63Š| ||
| 1602 | S | 20 | Very low | 23.5 | Very low | 116 Ų | 116 | 119.4 Ų | 119.4 | 81% | 0.811 | 73% | 0.731 | S | S | * | * | trans | -85.2 | 145.4 | -162.3 | -42.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 1603 | I | 25.5 | Very low | 23.6 | Very low | 173 Ų | 173 | 126.2 Ų | 126.2 | 89% | 0.887 | 74% | 0.742 | S | S | * | * | trans | -133.2 | 145 | 146.8 | -64.3 | -174 | 0 | 0 | 0 | 108 | ||||
| 1604 | T | 21.7 | Very low | 23.7 | Very low | 127 Ų | 127 | 127.7 Ų | 127.7 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | trans | -98.2 | 137.9 | -164.2 | 51.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1605 | S | 26.1 | Very low | 23.8 | Very low | 112 Ų | 112 | 127 Ų | 127 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | trans | -163.8 | 120.1 | 147.5 | 57.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1606 | N | 21.1 | Very low | 23.9 | Very low | 143 Ų | 143 | 124.4 Ų | 124.4 | 77% | 0.765 | 72% | 0.72 | S | S | * | * | trans | -68.1 | 155.7 | 168.4 | -65.2 | -5.8 | 0 | 0 | 0 | 110 | ||||
| 1607 | P | 27.5 | Very low | 23.8 | Very low | 132 Ų | 132 | 120.3 Ų | 120.3 | 86% | 0.857 | 70% | 0.699 | S | S | * | * | -124.4 | 147.3 | 91.1 | 36.3 | -32.7 | 0 | 0 | 0 | 113.4 | |||||
| 1608 | T | 22.1 | Very low | 24.1 | Very low | 114 Ų | 114 | 117.4 Ų | 117.4 | 70% | 0.699 | 68% | 0.675 | S | S | * | * | trans | -89.8 | 113.1 | 173.1 | 45.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1609 | D | 23.5 | Very low | 24.3 | Very low | 163 Ų | 163 | 113.8 Ų | 113.8 | 87% | 0.872 | 65% | 0.65 | S | S | * | * | trans | -166.8 | 169.9 | 150.9 | -108.5 | -35.3 | 0 | 0 | 0 | 110.6 | ||||
| 1610 | M | 25 | Very low | 24.8 | Very low | 163 Ų | 163 | 113.9 Ų | 113.9 | 80% | 0.803 | 65% | 0.653 | S | S | * | * | trans | 70.3 | 72.8 | -179.4 | -58.4 | -163.2 | 70 | 0 | 0 | 117.4 | T1612 | M1610-T1612 PolarHBondContact O-N 3.45Å; M1610-T1612 VanDerWaalsContact O-N 3.16Å | ||
| 1611 | F | 22 | Very low | 25.3 | Very low | 220 Ų | 220 | 113.9 Ų | 113.9 | 97% | 0.965 | 65% | 0.648 | S | S | * | * | trans | -75.3 | 87.5 | 152 | -89.7 | -89.1 | 0 | 0 | 0 | 110.6 | ||||
| 1612 | T | 25.2 | Very low | 25.9 | Very low | 91 Ų | 91 | 110.7 Ų | 110.7 | 56% | 0.558 | 62% | 0.619 | S | S | * | * | trans | -168 | 101.4 | 157.3 | 2.2 | 0 | 0 | 0 | 0 | 109 | P119 M1610 | P119-T1612 HydrophobicContact CG-CG2 4.34Å; M1610-T1612 PolarHBondContact O-N 3.45Å; M1610-T1612 VanDerWaalsContact O-N 3.16Å | ||
| 1613 | R | 25.9 | Very low | 26.5 | Very low | 239 Ų | 239 | 106.2 Ų | 106.2 | 90% | 0.902 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 134.2 | 167 | -74.1 | -174.3 | 175.5 | -171.4 | -0.6 | 108.6 | ||
| 1614 | P | 24.4 | Very low | 26.8 | Very low | 124 Ų | 124 | 98.6 Ų | 98.6 | 81% | 0.805 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 139.4 | 167.8 | 30 | -33.1 | 0 | 0 | 0 | 109.8 | ||
| 1615 | L | 26.4 | Very low | 27.2 | Very low | 121 Ų | 121 | 96.1 Ų | 96.1 | 63% | 0.634 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 131.3 | 166.1 | -91.5 | 79.2 | 0 | 0 | 0 | 109.5 | ||
| 1616 | L | 27.8 | Very low | 27.5 | Very low | 45 Ų | 45 | 93.2 Ų | 93.2 | 24% | 0.236 | 50% | 0.499 | C | S | . | . | trans | 49.7 | 140.5 | 161.3 | -72.1 | 85.9 | 0 | 0 | 0 | 119.5 | T1127 L1240 A1618 | T1127-L1616 HydrophobicContact CG2-CD2 3.84Å; T1127-L1616 HydrophobicContact CG2-CG 3.7Å; L1240-L1616 HydrophobicContact CD1-CD1 4.24Å; L1240-L1616 HydrophobicContact CD1-CD2 3.88Å; L1616-A1618 PolarHBondContact O-N 3.15Å | ||
| 1617 | G | 23.8 | Very low | 28.1 | Very low | 30 Ų | 30 | 88.2 Ų | 88.2 | 31% | 0.309 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -71.2 | 11.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | N1131 Y1135 Q1619 | N1131-G1617 VanDerWaalsContact OD1-CA 3.24Å; N1131-G1617 WeakPolarHBondContact OD1-CA 3.44Å; N1131-G1617 PolarHBondContact OD1-N 3.35Å; Y1135-G1617 PolarHBondContact OH-O 2.67Å; G1617-Q1619 PolarHBondContact O-N 2.85Å |
| 1618 | A | 26.9 | Very low | 28.2 | Very low | 38 Ų | 38 | 84.8 Ų | 84.8 | 31% | 0.314 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -82.2 | 106.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | P1237 L1616 S1620 | P1237-A1618 HydrophobicContact CB-CB 4.25Å; P1237-A1618 HydrophobicContact CG-CB 4.27Å; L1616-A1618 PolarHBondContact O-N 3.15Å; A1618-S1620 VanDerWaalsContact C-N 3.3Å; A1618-S1620 PolarHBondContact O-N 3Å |
| 1619 | Q | 28.3 | Very low | 28.5 | Very low | 45 Ų | 45 | 81.2 Ų | 81.2 | 21% | 0.21 | 43% | 0.428 | C | S | . | . | trans | -71.1 | 81.7 | -175.2 | -74.5 | -177.5 | -89.2 | 0 | 0 | 112.9 | D2 Y1135 G1617 | D2-Q1619 PolarHBondContact OD1-NE2 3.43Å; Y1135-Q1619 PolarHBondContact OH-OE1 2.83Å; G1617-Q1619 PolarHBondContact O-N 2.85Å | ||
| 1620 | S | 31.8 | Very low | 28.6 | Very low | 66 Ų | 66 | 78.6 Ų | 78.6 | 46% | 0.462 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 171.5 | 162.8 | -171.8 | 0 | 0 | 0 | 0 | 116.5 | A1618 E1622 | A1618-S1620 VanDerWaalsContact C-N 3.3Å; A1618-S1620 PolarHBondContact O-N 3Å; S1620-E1622 PolarHBondContact O-N 3.21Å; S1620-E1622 VanDerWaalsContact O-N 3.16Å; S1620-E1622 PolarHBondContact OG-N 2.93Å |
| 1621 | V | 35.4 | Very low | 28.7 | Very low | 45 Ų | 45 | 75 Ų | 75 | 27% | 0.273 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 3.1 | 159.5 | -173.8 | 0 | 0 | 0 | 0 | 111 | L95 A1624 R1625 | L95-V1621 HydrophobicContact CD1-CB 4.29Å; L95-V1621 HydrophobicContact CD1-CG1 4.13Å; L95-V1621 HydrophobicContact CD1-CG2 4.26Å; V1621-A1624 HydrophobicContact CG1-CB 4.28Å; V1621-A1624 CarbonylContact O-C 3.54Å; V1621-A1624 VanDerWaalsContact O-CB 3.23Å; V1621-A1624 WeakPolarHBondContact O-CB 3.36Å; V1621-A1624 PolarHBondContact O-N 3.36Å; V1621-R1625 PolarHBondContact O-N 2.86Å |
| 1622 | E | 33 | Very low | 28.8 | Very low | 18 Ų | 18 | 71 Ų | 71 | 8% | 0.084 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -44.7 | -176.1 | -163.5 | 57.8 | -148 | 0 | 0 | 113.3 | R97 S1620 A1624 R1625 K1626 | R97-E1622 WeakPolarHBondContact CD-OE1 3.39Å; R97-E1622 WeakPolarHBondContact CG-OE1 3.34Å; R97-E1622 IonicContact CZ-OE1 2.78Å; R97-E1622 IonicContact NE-OE1 2.63Å; R97-E1622 IonicContact NH1-OE1 2.73Å; R97-E1622 PolarHBondContact NH1-OE1 2.67Å; S1620-E1622 PolarHBondContact O-N 3.21Å; S1620-E1622 VanDerWaalsContact O-N 3.16Å; S1620-E1622 PolarHBondContact OG-N 2.93Å; E1622-A1624 PolarHBondContact O-N 3.07Å; E1622-R1625 CarbonylContact O-C 3.59Å; E1622-R1625 WeakPolarHBondContact O-CA 3.46Å; E1622-R1625 WeakPolarHBondContact O-CB 3.27Å; E1622-R1625 PolarHBondContact O-N 2.82Å; E1622-K1626 WeakPolarHBondContact O-CG 3.29Å; E1622-K1626 PolarHBondContact O-N 3.32Å |
| 1623 | D | 32.8 | Very low | 28.8 | Very low | 22 Ų | 22 | 68.4 Ų | 68.4 | 12% | 0.118 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.1 | -31.1 | 171.6 | -73.6 | -7.1 | 0 | 0 | 0 | 110.9 | R1625 K1626 L1627 | D1623-R1625 PolarHBondContact O-N 3.44Å; D1623-K1626 WeakPolarHBondContact OD1-CD 3.38Å; D1623-K1626 VanDerWaalsContact OD1-CE 3.3Å; D1623-K1626 WeakPolarHBondContact OD1-CE 3.16Å; D1623-K1626 IonicContact OD1-NZ 2.68Å; D1623-K1626 PolarHBondContact OD1-NZ 2.9Å; D1623-L1627 WeakPolarHBondContact O-CG 3.18Å; D1623-L1627 PolarHBondContact O-N 2.86Å |
| 1624 | A | 31.5 | Very low | 28.8 | Very low | 13 Ų | 13 | 62.2 Ų | 62.2 | 11% | 0.107 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.2 | -14.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | T1212 F1216 V1621 E1622 | T1212-A1624 HydrophobicContact CG2-CB 3.37Å; T1212-A1624 VanDerWaalsContact CG2-O 3.3Å; T1212-A1624 WeakPolarHBondContact CG2-O 3.42Å; T1212-A1624 PolarHBondContact OG1-O 3.34Å; F1216-A1624 HydrophobicContact CZ-CB 4.36Å; V1621-A1624 HydrophobicContact CG1-CB 4.28Å; V1621-A1624 CarbonylContact O-C 3.54Å; V1621-A1624 VanDerWaalsContact O-CB 3.23Å; V1621-A1624 WeakPolarHBondContact O-CB 3.36Å; V1621-A1624 PolarHBondContact O-N 3.36Å; E1622-A1624 PolarHBondContact O-N 3.07Å |
| 1625 | R | 30 | Very low | 28.8 | Very low | 75 Ų | 75 | 64.9 Ų | 64.9 | 28% | 0.283 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -103.6 | -33.1 | 173.6 | -77.7 | 178.1 | 169.3 | 172.7 | -3 | 113 | L95 P96 V1621 E1622 D1623 L1627 L1628 A1629 | L95-R1625 PolarHBondContact O-NH1 3.26Å; P96-R1625 PolarHBondContact O-NH1 2.93Å; V1621-R1625 PolarHBondContact O-N 2.86Å; E1622-R1625 CarbonylContact O-C 3.59Å; E1622-R1625 WeakPolarHBondContact O-CA 3.46Å; E1622-R1625 WeakPolarHBondContact O-CB 3.27Å; E1622-R1625 PolarHBondContact O-N 2.82Å; D1623-R1625 PolarHBondContact O-N 3.44Å; R1625-L1627 PolarHBondContact O-N 2.68Å; R1625-L1627 VanDerWaalsContact O-N 3.09Å; R1625-L1628 PolarHBondContact O-N 2.89Å; R1625-A1629 PolarHBondContact O-N 3.13Å |
| 1626 | K | 33.9 | Very low | 28.8 | Very low | 51 Ų | 51 | 69.3 Ų | 69.3 | 22% | 0.222 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -52.1 | -31.1 | 168 | -66.2 | 174.3 | -167.7 | 165.7 | 0 | 111.5 | D2 E1622 D1623 | D2-K1626 IonicContact OD2-NZ 3.16Å; D2-K1626 PolarHBondContact OD2-NZ 3.19Å; E1622-K1626 WeakPolarHBondContact O-CG 3.29Å; E1622-K1626 PolarHBondContact O-N 3.32Å; D1623-K1626 WeakPolarHBondContact OD1-CD 3.38Å; D1623-K1626 VanDerWaalsContact OD1-CE 3.3Å; D1623-K1626 WeakPolarHBondContact OD1-CE 3.16Å; D1623-K1626 IonicContact OD1-NZ 2.68Å; D1623-K1626 PolarHBondContact OD1-NZ 2.9Å |
| 1627 | L | 33.9 | Very low | 28.6 | Very low | 38 Ų | 38 | 72.7 Ų | 72.7 | 20% | 0.199 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -27.2 | 174 | -71.1 | 165.4 | 0 | 0 | 0 | 115.2 | L1210 D1623 R1625 | L1210-L1627 HydrophobicContact CB-CD1 3.54Å; L1210-L1627 HydrophobicContact CD1-CD1 4.01Å; L1210-L1627 HydrophobicContact CG-CD1 4.46Å; D1623-L1627 WeakPolarHBondContact O-CG 3.18Å; D1623-L1627 PolarHBondContact O-N 2.86Å; R1625-L1627 PolarHBondContact O-N 2.68Å; R1625-L1627 VanDerWaalsContact O-N 3.09Å |
| 1628 | L | 27.7 | Very low | 28.8 | Very low | 59 Ų | 59 | 76 Ų | 76 | 31% | 0.309 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -73.7 | -38.3 | 173.5 | -72.4 | 166.7 | 0 | 0 | 0 | 110.5 | R1625 L1630 S1631 | R1625-L1628 PolarHBondContact O-N 2.89Å; L1628-L1630 PolarHBondContact O-N 3.04Å; L1628-S1631 PolarHBondContact O-N 2.67Å; L1628-S1631 VanDerWaalsContact O-N 3.09Å; L1628-S1631 PolarHBondContact O-OG 3.09Å |
| 1629 | A | 28.7 | Very low | 28.7 | Very low | 40 Ų | 40 | 83.3 Ų | 83.3 | 33% | 0.331 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -59.2 | -8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | E35 R1625 | E35-A1629 VanDerWaalsContact CD-CB 3.43Å; E35-A1629 HydrophobicContact CG-CB 3.59Å; E35-A1629 WeakPolarHBondContact OE1-CA 3.07Å; E35-A1629 WeakPolarHBondContact OE2-CA 3.41Å; E35-A1629 PolarHBondContact OE2-N 3.29Å; R1625-A1629 PolarHBondContact O-N 3.13Å |
| 1630 | L | 27.3 | Very low | 28.5 | Very low | 107 Ų | 107 | 91.8 Ų | 91.8 | 56% | 0.56 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -116.3 | -9 | 179.8 | -65.5 | 174.4 | 0 | 0 | 0 | 114 | L1628 V1632 G1633 | L1628-L1630 PolarHBondContact O-N 3.04Å; L1630-V1632 VanDerWaalsContact C-N 3.33Å; L1630-V1632 PolarHBondContact O-N 3.5Å; L1630-G1633 PolarHBondContact O-N 2.92Å |
| 1631 | S | 26.3 | Very low | 28.1 | Very low | 89 Ų | 89 | 99.3 Ų | 99.3 | 62% | 0.622 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -7.2 | 176.7 | 61.9 | 0 | 0 | 0 | 0 | 114.4 | L1628 | L1628-S1631 PolarHBondContact O-N 2.67Å; L1628-S1631 VanDerWaalsContact O-N 3.09Å; L1628-S1631 PolarHBondContact O-OG 3.09Å |
| 1632 | V | 24.3 | Very low | 27.6 | Very low | 135 Ų | 135 | 104.2 Ų | 104.2 | 82% | 0.818 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.2 | 38.1 | 167.2 | -162 | 0 | 0 | 0 | 0 | 109.7 | L1630 | L1630-V1632 VanDerWaalsContact C-N 3.33Å; L1630-V1632 PolarHBondContact O-N 3.5Å |
| 1633 | G | 24.6 | Very low | 27.2 | Very low | 37 Ų | 37 | 109.7 Ų | 109.7 | 38% | 0.381 | 57% | 0.572 | S | S | . | * | trans | -127.7 | 3.9 | -156.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | L1630 | L1630-G1633 PolarHBondContact O-N 2.92Š| ||
| 1634 | S | 26.2 | Very low | 26.8 | Very low | 109 Ų | 109 | 113.2 Ų | 113.2 | 76% | 0.762 | 60% | 0.595 | S | S | * | * | trans | -154.9 | 95.3 | 175.1 | -85.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1635 | K | 25.2 | Very low | 26.3 | Very low | 179 Ų | 179 | 121.7 Ų | 121.7 | 78% | 0.778 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -103.2 | 105.5 | 138.6 | -83.6 | -172.1 | 173.5 | -179.5 | 0 | 108.5 | E302 | E302-K1635 IonicContact OE1-NZ 2.75Å; E302-K1635 PolarHBondContact OE1-NZ 3.48Å; E302-K1635 VanDerWaalsContact OE1-NZ 3.16Å |
| 1636 | R | 25.8 | Very low | 26.1 | Very low | 215 Ų | 215 | 122.8 Ų | 122.8 | 81% | 0.811 | 65% | 0.645 | S | S | * | * | trans | 60.3 | 108.3 | 161.6 | -64.3 | 178.3 | 168.5 | 177.3 | -6.5 | 119.3 | ||||
| 1637 | S | 24.3 | Very low | 25.5 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 81% | 0.811 | 68% | 0.677 | S | S | * | * | -100.9 | 149.4 | 107.9 | 66.5 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 1638 | S | 26.5 | Very low | 25.3 | Very low | 98 Ų | 98 | 133.1 Ų | 133.1 | 69% | 0.685 | 70% | 0.698 | S | S | * | * | cis | -158.3 | 153.4 | 11.9 | 52.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1639 | Q | 24.9 | Very low | 25.2 | Very low | 192 Ų | 192 | 136.7 Ų | 136.7 | 90% | 0.897 | 72% | 0.718 | S | S | * | * | trans | -105.6 | 145.4 | 152.9 | -89.4 | -175 | -36.5 | 0 | 0 | 110.3 | ||||
| 1640 | R | 24.8 | Very low | 25.1 | Very low | 224 Ų | 224 | 141.2 Ų | 141.2 | 85% | 0.845 | 73% | 0.732 | S | S | * | * | trans | -132.3 | 94.6 | 174.3 | -90.4 | -168.5 | 170.5 | -162.9 | 3.1 | 112.4 | ||||
| 1641 | R | 23.8 | Very low | 25 | Very low | 223 Ų | 223 | 144 Ų | 144 | 84% | 0.842 | 74% | 0.74 | S | S | * | * | trans | 74 | 102.4 | 149.5 | -56.4 | 176.7 | 168.6 | -166 | -5 | 119.5 | ||||
| 1642 | L | 24.8 | Very low | 24.9 | Very low | 148 Ų | 148 | 146.1 Ų | 146.1 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | 49.3 | 127.4 | 117.7 | -62.5 | 170.6 | 0 | 0 | 0 | 119 | V1644 | L1642-V1644 HydrophobicContact CD2-CG2 4.36Š| |||
| 1643 | P | 24 | Very low | 24.9 | Very low | 133 Ų | 133 | 149.5 Ų | 149.5 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | -130.2 | -152.5 | 84.2 | 38 | -27.5 | 0 | 0 | 0 | 115.7 | |||||
| 1644 | V | 23.4 | Very low | 25 | Very low | 96 Ų | 96 | 153.5 Ų | 153.5 | 58% | 0.582 | 76% | 0.756 | S | S | * | * | trans | -154.7 | 147.5 | -155.4 | 169.7 | 0 | 0 | 0 | 0 | 112.1 | L1642 T1646 | L1642-V1644 HydrophobicContact CD2-CG2 4.36Å; V1644-T1646 HydrophobicContact CG1-CG2 4.25Å | ||
| 1645 | F | 22.5 | Very low | 25.1 | Very low | 192 Ų | 192 | 153.9 Ų | 153.9 | 84% | 0.842 | 75% | 0.75 | S | S | * | * | trans | 166.6 | 119.3 | 137.3 | -80.3 | -51.5 | 0 | 0 | 0 | 109 | ||||
| 1646 | T | 24.2 | Very low | 25.2 | Very low | 98 Ų | 98 | 149.8 Ų | 149.8 | 60% | 0.601 | 74% | 0.74 | S | S | * | * | 83.5 | 132.9 | 52.5 | 64.5 | 0 | 0 | 0 | 0 | 116.6 | V1644 | V1644-T1646 HydrophobicContact CG1-CG2 4.25Š| |||
| 1647 | F | 22.6 | Very low | 25.2 | Very low | 205 Ų | 205 | 144.9 Ų | 144.9 | 90% | 0.899 | 73% | 0.726 | S | S | * | * | trans | -166.1 | 168 | 150.8 | -87.3 | -54.5 | 0 | 0 | 0 | 109.7 | ||||
| 1648 | P | 29.2 | Very low | 25.3 | Very low | 100 Ų | 100 | 144.1 Ų | 144.1 | 65% | 0.649 | 71% | 0.713 | S | S | * | * | -135.3 | -169.9 | -75.8 | 34.2 | -12.2 | 0 | 0 | 0 | 116.6 | |||||
| 1649 | N | 26.1 | Very low | 25.2 | Very low | 135 Ų | 135 | 143.6 Ų | 143.6 | 72% | 0.722 | 71% | 0.705 | S | S | * | * | trans | 83.6 | 137.8 | 168.3 | -57.4 | -16.9 | 0 | 0 | 0 | 117.4 | ||||
| 1650 | H | 26.1 | Very low | 25.2 | Very low | 134 Ų | 134 | 138.2 Ų | 138.2 | 62% | 0.62 | 69% | 0.693 | S | S | * | * | cis | -160.6 | 142.8 | -1.2 | -120.7 | -50 | 0 | 0 | 0 | 112.3 | ||||
| 1651 | F | 25.4 | Very low | 25.2 | Very low | 167 Ų | 167 | 136.4 Ų | 136.4 | 73% | 0.732 | 70% | 0.695 | S | S | * | * | trans | 59.8 | 146.4 | 153.9 | -65.2 | -48.9 | 0 | 0 | 0 | 121 | ||||
| 1652 | D | 24.9 | Very low | 25.1 | Very low | 132 Ų | 132 | 130 Ų | 130 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | cis | -158.1 | -178.6 | -11.2 | -137 | -33.1 | 0 | 0 | 0 | 113.1 | ||||
| 1653 | Y | 24.7 | Very low | 25 | Very low | 206 Ų | 206 | 129.7 Ų | 129.7 | 81% | 0.808 | 68% | 0.683 | S | S | * | * | trans | -97.8 | -169.4 | -170 | -68.3 | -99.7 | 0 | 0 | 0 | 115.7 | ||||
| 1654 | N | 25.4 | Very low | 25 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 65% | 0.652 | 68% | 0.678 | S | S | * | * | cis | -168.4 | 155.7 | 15.7 | -144.7 | -3.4 | 0 | 0 | 0 | 116.6 | ||||
| 1655 | N | 27.5 | Very low | 25.1 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 63% | 0.626 | 68% | 0.684 | S | S | * | * | trans | 45.2 | 153.9 | 143 | -75.4 | -6 | 0 | 0 | 0 | 125.2 | ||||
| 1656 | T | 28.3 | Very low | 25.2 | Very low | 93 Ų | 93 | 130.9 Ų | 130.9 | 57% | 0.571 | 68% | 0.683 | S | S | * | * | cis | -174.3 | 162.5 | -5.9 | 27.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1657 | H | 26.2 | Very low | 25 | Very low | 112 Ų | 112 | 131.6 Ų | 131.6 | 52% | 0.519 | 69% | 0.691 | S | S | . | * | trans | 111 | 172.1 | 132.3 | -93.1 | -57.2 | 0 | 0 | 0 | 126.1 | M1791 Y1792 | H1657-M1791 PolarHBondContact CD2-O 3.46Å; H1657-Y1792 WeakPolarHBondContact CD2-CA 3.17Å; H1657-Y1792 PolarHBondContact CD2-N 3.24Å; H1657-Y1792 PolarHBondContact CD2-O 2.97Å; H1657-Y1792 PolarHBondContact CE1-O 2.9Å; H1657-Y1792 PolarHBondContact ND1-O 2.8Å | ||
| 1658 | N | 26.4 | Very low | 25.4 | Very low | 99 Ų | 99 | 127.4 Ų | 127.4 | 53% | 0.529 | 69% | 0.685 | S | S | . | * | trans | -123 | 167.9 | -142.7 | -83 | -44.3 | 0 | 0 | 0 | 119.3 | A1793 M1794 | N1658-A1793 CarbonylContact O-C 3.57Å; N1658-A1793 WeakPolarHBondContact O-CA 3.37Å; N1658-A1793 WeakPolarHBondContact O-CB 3.41Å; N1658-M1794 WeakPolarHBondContact O-CA 3.47Å; N1658-M1794 PolarHBondContact O-N 2.9Å | ||
| 1659 | V | 24.7 | Very low | 25.3 | Very low | 88 Ų | 88 | 128.7 Ų | 128.7 | 53% | 0.533 | 69% | 0.69 | S | S | . | * | trans | 135.9 | 98.9 | 138.1 | 177.4 | 0 | 0 | 0 | 0 | 118.3 | A1793 L1795 | V1659-A1793 HydrophobicContact CG2-CB 4.18Å; V1659-L1795 VanDerWaalsContact O-CD1 3.27Å; V1659-L1795 WeakPolarHBondContact O-CD1 3.33Å | ||
| 1660 | A | 25 | Very low | 25.1 | Very low | 78 Ų | 78 | 132.2 Ų | 132.2 | 65% | 0.645 | 69% | 0.694 | S | S | * | * | trans | 54.8 | 153.4 | 130.1 | 0 | 0 | 0 | 0 | 0 | 127.6 | ||||
| 1661 | Q | 23.7 | Very low | 25.4 | Very low | 187 Ų | 187 | 130.7 Ų | 130.7 | 87% | 0.874 | 70% | 0.695 | S | S | * | * | trans | 75.4 | 151 | 162.5 | -61.2 | -171.1 | 9.3 | 0 | 0 | 119.8 | ||||
| 1662 | S | 22.6 | Very low | 25.3 | Very low | 88 Ų | 88 | 132 Ų | 132 | 62% | 0.615 | 70% | 0.697 | S | S | * | * | cis | -170.5 | 166.1 | -28.7 | 64.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1663 | L | 21.5 | Very low | 25.3 | Very low | 142 Ų | 142 | 129.8 Ų | 129.8 | 74% | 0.743 | 70% | 0.697 | S | S | * | * | trans | 71.1 | 151.8 | 169.8 | -55.8 | 167.3 | 0 | 0 | 0 | 115.9 | ||||
| 1664 | F | 24.3 | Very low | 25.2 | Very low | 176 Ų | 176 | 123.4 Ų | 123.4 | 77% | 0.772 | 69% | 0.694 | S | S | * | * | cis | -149.1 | 164.7 | 27.9 | -108.6 | -69.6 | 0 | 0 | 0 | 114.8 | ||||
| 1665 | I | 26.3 | Very low | 25.2 | Very low | 139 Ų | 139 | 125.5 Ų | 125.5 | 71% | 0.713 | 70% | 0.703 | S | S | * | * | trans | 86.7 | 104.5 | 149.1 | -73.8 | 162 | 0 | 0 | 0 | 121.3 | ||||
| 1666 | T | 25.1 | Very low | 25 | Very low | 131 Ų | 131 | 122.9 Ų | 122.9 | 80% | 0.804 | 70% | 0.704 | S | S | * | * | trans | 76.1 | 122.9 | 144.3 | 53.9 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 1667 | S | 19.8 | Very low | 25 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 78% | 0.783 | 72% | 0.72 | S | S | * | * | trans | -85.3 | -170.3 | 147.3 | -26.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1668 | P | 31 | Very low | 24.9 | Very low | 118 Ų | 118 | 126.1 Ų | 126.1 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | cis | -123.5 | -166.2 | 12.2 | 28.8 | -1.9 | 0 | 0 | 0 | 111.5 | ||||
| 1669 | V | 25.8 | Very low | 25 | Very low | 126 Ų | 126 | 130 Ų | 130 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | cis | -153 | 145.6 | 36.7 | 170.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1670 | R | 22.4 | Very low | 24.9 | Very low | 210 Ų | 210 | 133.5 Ų | 133.5 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | trans | -114.2 | 141.5 | 156.6 | -149.5 | -172.5 | -162.7 | -167.6 | 7.6 | 106.3 | ||||
| 1671 | P | 31.5 | Very low | 24.8 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 66% | 0.656 | 77% | 0.765 | S | S | * | * | -150 | 158.2 | 102.5 | 36.4 | -18.7 | 0 | 0 | 0 | 116.9 | |||||
| 1672 | Y | 25.1 | Very low | 24.8 | Very low | 196 Ų | 196 | 134.7 Ų | 134.7 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | 7.6 | 160.3 | 140 | -61.1 | -99.3 | 0 | 0 | 0 | 122.8 | ||||
| 1673 | A | 23.4 | Very low | 24.9 | Very low | 85 Ų | 85 | 138 Ų | 138 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | cis | 176.8 | 146.1 | -27.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1674 | G | 23.1 | Very low | 25 | Very low | 72 Ų | 72 | 138.6 Ų | 138.6 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | 81.8 | 176.6 | 140.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1675 | I | 25.7 | Very low | 25 | Very low | 165 Ų | 165 | 140.6 Ų | 140.6 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | trans | 69.2 | 129.5 | -178.8 | -48.6 | 172.7 | 0 | 0 | 0 | 113 | ||||
| 1676 | G | 23.5 | Very low | 24.9 | Very low | 63 Ų | 63 | 140.7 Ų | 140.7 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | cis | 120.2 | 84.4 | 2.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1677 | F | 28.4 | Very low | 24.9 | Very low | 206 Ų | 206 | 141.4 Ų | 141.4 | 90% | 0.904 | 77% | 0.768 | S | S | * | * | trans | -106.7 | 116.9 | -172.2 | -96 | -80.8 | 0 | 0 | 0 | 114.3 | ||||
| 1678 | G | 24.3 | Very low | 25.2 | Very low | 67 Ų | 67 | 140.5 Ų | 140.5 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | trans | -82.4 | 159.2 | 151.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1679 | H | 27 | Very low | 24.9 | Very low | 180 Ų | 180 | 142.4 Ų | 142.4 | 83% | 0.833 | 77% | 0.765 | S | S | * | * | trans | -70.8 | 151.2 | 178.1 | -81.2 | 24.4 | 0 | 0 | 0 | 113.5 | ||||
| 1680 | L | 23.6 | Very low | 24.8 | Very low | 162 Ų | 162 | 142.7 Ų | 142.7 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | -169.1 | 165.4 | 102.5 | -98.6 | 169.3 | 0 | 0 | 0 | 114.5 | |||||
| 1681 | K | 23.5 | Very low | 25 | Very low | 185 Ų | 185 | 137.5 Ų | 137.5 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -85 | 156 | -164.1 | -52.2 | 164.4 | 179.6 | 177.7 | 0 | 113.4 | ||||
| 1682 | S | 23.7 | Very low | 24.7 | Very low | 104 Ų | 104 | 137.5 Ų | 137.5 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | -167.1 | 123.7 | 120.8 | -142.1 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 1683 | Q | 23.2 | Very low | 24.7 | Very low | 159 Ų | 159 | 132.7 Ų | 132.7 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | 35 | 123.2 | 131.7 | -63.9 | -172 | -31.3 | 0 | 0 | 125.5 | ||||
| 1684 | H | 24.2 | Very low | 24.8 | Very low | 154 Ų | 154 | 136.9 Ų | 136.9 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | 70.4 | 149.2 | 123.7 | -64.6 | -58.1 | 0 | 0 | 0 | 125.5 | |||||
| 1685 | Y | 25 | Very low | 25 | Very low | 217 Ų | 217 | 136.7 Ų | 136.7 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | trans | 95.2 | 156.3 | 156.8 | -81 | -69.4 | 0 | 0 | 0 | 121.4 | ||||
| 1686 | N | 23.1 | Very low | 24.9 | Very low | 141 Ų | 141 | 134.3 Ų | 134.3 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | trans | -94.7 | 154.3 | -154.1 | -68.5 | -22 | 0 | 0 | 0 | 114.8 | ||||
| 1687 | N | 24.9 | Very low | 24.9 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | 49.4 | 97.6 | 148.7 | -71.2 | 5.6 | 0 | 0 | 0 | 120.7 | ||||
| 1688 | S | 26.4 | Very low | 24.6 | Very low | 93 Ų | 93 | 136.1 Ų | 136.1 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | 62.4 | 109.5 | 123.3 | 66.7 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 1689 | N | 24.5 | Very low | 24.6 | Very low | 158 Ų | 158 | 140.8 Ų | 140.8 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | trans | 69.9 | 144.3 | 145.9 | -51.9 | -21.8 | 0 | 0 | 0 | 116.5 | ||||
| 1690 | V | 24.5 | Very low | 24.6 | Very low | 132 Ų | 132 | 137.3 Ų | 137.3 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | cis | -142.7 | 171.1 | 33.6 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1691 | S | 26.1 | Very low | 24.7 | Very low | 100 Ų | 100 | 135.5 Ų | 135.5 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | trans | 81.4 | 96.3 | 159 | 31 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1692 | S | 26.3 | Very low | 25 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | 66.7 | 105.5 | 117.4 | 68.3 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 1693 | S | 24.7 | Very low | 25.2 | Very low | 95 Ų | 95 | 134.6 Ų | 134.6 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | 90 | 126.2 | 106.5 | 74.5 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 1694 | I | 26.1 | Very low | 25.3 | Very low | 173 Ų | 173 | 132.8 Ų | 132.8 | 89% | 0.887 | 75% | 0.746 | S | S | * | * | trans | 76.1 | 137.3 | 138.7 | -65.4 | 161.6 | 0 | 0 | 0 | 119.5 | ||||
| 1695 | G | 26.1 | Very low | 25.4 | Very low | 69 Ų | 69 | 132.7 Ų | 132.7 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | trans | 137.3 | 68 | 131.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1696 | S | 23.3 | Very low | 25.3 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | trans | -44.7 | 158.8 | 169.9 | -41.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1697 | S | 23.4 | Very low | 25.4 | Very low | 106 Ų | 106 | 130 Ų | 130 | 74% | 0.741 | 74% | 0.742 | S | S | * | * | trans | 112.8 | 112.6 | 134.4 | -62.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1698 | Y | 23.1 | Very low | 25.4 | Very low | 201 Ų | 201 | 130.2 Ų | 130.2 | 79% | 0.788 | 74% | 0.74 | S | S | * | * | 52.7 | 108.1 | 125.9 | -73.2 | -82.9 | 0 | 0 | 0 | 124.7 | |||||
| 1699 | Q | 24.5 | Very low | 25.3 | Very low | 165 Ų | 165 | 130.1 Ų | 130.1 | 77% | 0.771 | 74% | 0.739 | S | S | * | * | 77.1 | 137.4 | 118.8 | -92.8 | -169.7 | 0.2 | 0 | 0 | 125.6 | |||||
| 1700 | V | 25.9 | Very low | 25.4 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 66% | 0.655 | 74% | 0.735 | S | S | * | * | 123.6 | 123.8 | 119.6 | 136.3 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1701 | N | 26 | Very low | 25.5 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 66% | 0.663 | 74% | 0.738 | S | S | * | * | trans | 72.9 | 108.3 | 149.7 | -72 | -3.6 | 0 | 0 | 0 | 127.1 | ||||
| 1702 | N | 28.9 | Very low | 25.7 | Very low | 126 Ų | 126 | 130.9 Ų | 130.9 | 67% | 0.674 | 74% | 0.739 | S | S | * | * | 80.6 | 126.9 | 109.1 | -62.6 | -9.8 | 0 | 0 | 0 | 126.1 | |||||
| 1703 | N | 28 | Very low | 25.8 | Very low | 143 Ų | 143 | 131.6 Ų | 131.6 | 77% | 0.765 | 74% | 0.74 | S | S | * | * | trans | 107.6 | 141.9 | 131 | -75.2 | -8.8 | 0 | 0 | 0 | 123.5 | ||||
| 1704 | T | 26.6 | Very low | 26 | Very low | 122 Ų | 122 | 132 Ų | 132 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | trans | 85.3 | 130.3 | 151.8 | 23 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1705 | I | 26.4 | Very low | 25.9 | Very low | 152 Ų | 152 | 133.4 Ų | 133.4 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | trans | 85.8 | 124.2 | 141.7 | -72.6 | 161.8 | 0 | 0 | 0 | 122.1 | ||||
| 1706 | M | 23.5 | Very low | 26.2 | Very low | 154 Ų | 154 | 135.5 Ų | 135.5 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | trans | 39.3 | 140.1 | 144.7 | -65 | -72.1 | -156.9 | 0 | 0 | 125.3 | ||||
| 1707 | Q | 24.1 | Very low | 26.2 | Very low | 146 Ų | 146 | 134.9 Ų | 134.9 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | trans | 74.1 | 137.9 | 132.2 | -77.5 | 175.7 | -24.2 | 0 | 0 | 124.4 | ||||
| 1708 | M | 24.8 | Very low | 26.3 | Very low | 152 Ų | 152 | 134.6 Ų | 134.6 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | trans | 57.1 | 92.7 | 134.9 | -64.3 | 179.3 | 178.8 | 0 | 0 | 121.9 | ||||
| 1709 | S | 24.4 | Very low | 26.4 | Very low | 92 Ų | 92 | 130.8 Ų | 130.8 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | 41 | 133 | 107.1 | 70.7 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 1710 | N | 26.9 | Very low | 26.4 | Very low | 142 Ų | 142 | 128.8 Ų | 128.8 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | trans | 97.9 | 152 | 134.9 | -69.2 | -14.8 | 0 | 0 | 0 | 122.3 | ||||
| 1711 | N | 26.4 | Very low | 26.3 | Very low | 159 Ų | 159 | 130.9 Ų | 130.9 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | trans | 80.3 | 134.1 | 166.6 | -59.8 | -26.3 | 0 | 0 | 0 | 116.1 | ||||
| 1712 | S | 29.3 | Very low | 26.4 | Very low | 104 Ų | 104 | 129 Ų | 129 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | cis | -153.8 | 170.9 | 5 | 49.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1713 | T | 29.5 | Very low | 26.3 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 72% | 0.718 | 75% | 0.748 | S | S | * | * | cis | -160.1 | 152.7 | 22.1 | -29.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1714 | S | 28.8 | Very low | 26.2 | Very low | 102 Ų | 102 | 130.1 Ų | 130.1 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | trans | 46.7 | 132.4 | 152.8 | 50.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1715 | K | 23.5 | Very low | 26.2 | Very low | 204 Ų | 204 | 128.8 Ų | 128.8 | 89% | 0.887 | 75% | 0.747 | S | S | * | * | cis | 70.8 | 153.2 | 28.3 | -63.5 | -169.3 | 173.3 | -178.1 | 0 | 115.7 | ||||
| 1716 | P | 33.8 | Very low | 26.4 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | cis | -146.3 | 173.3 | 16.3 | 46.2 | -27 | 0 | 0 | 0 | 120.4 | ||||
| 1717 | S | 23 | Very low | 26.5 | Very low | 102 Ų | 102 | 126 Ų | 126 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | trans | 44 | 146.5 | 137.7 | 68.8 | 0 | 0 | 0 | 0 | 128.8 | ||||
| 1718 | S | 25.5 | Very low | 26.8 | Very low | 99 Ų | 99 | 123.6 Ų | 123.6 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | 94.5 | 116.5 | 129 | 62 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 1719 | T | 23.9 | Very low | 26.9 | Very low | 122 Ų | 122 | 122.8 Ų | 122.8 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | 48.3 | 129.7 | 136.2 | 53.4 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 1720 | T | 24.4 | Very low | 27 | Very low | 122 Ų | 122 | 126.3 Ų | 126.3 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | 76 | 131.6 | 139.8 | 49.4 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1721 | N | 24.4 | Very low | 26.9 | Very low | 153 Ų | 153 | 125.4 Ų | 125.4 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | 79.6 | 120.5 | 150.8 | -68.1 | 1.7 | 0 | 0 | 0 | 123.1 | ||||
| 1722 | A | 28.6 | Very low | 26.8 | Very low | 84 Ų | 84 | 124.7 Ų | 124.7 | 69% | 0.694 | 74% | 0.74 | S | S | * | * | trans | 80.7 | 109.1 | 131.6 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 1723 | T | 25.9 | Very low | 26.6 | Very low | 128 Ų | 128 | 125.9 Ų | 125.9 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | trans | 72.6 | 127.5 | 135.1 | 51 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1724 | I | 27 | Very low | 26.5 | Very low | 164 Ų | 164 | 127.3 Ų | 127.3 | 84% | 0.841 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 70.4 | 117.9 | 165 | -53.4 | 171.7 | 0 | 0 | 0 | 115.9 | ||
| 1725 | S | 26.9 | Very low | 27 | Very low | 94 Ų | 94 | 130 Ų | 130 | 66% | 0.657 | 73% | 0.733 | S | S | * | * | cis | -178.5 | 140 | -28.5 | 46.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1726 | T | 28.8 | Very low | 27.4 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 80% | 0.798 | 73% | 0.728 | S | S | * | * | cis | -167.3 | 97.4 | -34.1 | 8.2 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 1727 | C | 27.1 | Very low | 27 | Very low | 118 Ų | 118 | 128.8 Ų | 128.8 | 80% | 0.797 | 72% | 0.723 | S | S | * | * | 75.6 | 149.2 | 76.7 | -68.1 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1728 | S | 29 | Very low | 27 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 67% | 0.671 | 73% | 0.727 | S | S | * | * | cis | -178.7 | 162.8 | -12.7 | -95.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1729 | N | 27.3 | Very low | 26.9 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | cis | -151.7 | 163.4 | -7.2 | -99.3 | 6.4 | 0 | 0 | 0 | 107.3 | ||||
| 1730 | H | 26.6 | Very low | 26.9 | Very low | 166 Ų | 166 | 132.9 Ų | 132.9 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | cis | 91.9 | 129 | 36.6 | -113.3 | -21.5 | 0 | 0 | 0 | 116.7 | ||||
| 1731 | L | 24.5 | Very low | 26.8 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 64% | 0.644 | 72% | 0.718 | S | S | * | * | trans | 101.2 | 148.8 | 140.4 | -112.4 | 60.2 | 0 | 0 | 0 | 125 | ||||
| 1732 | H | 24.5 | Very low | 26.9 | Very low | 143 Ų | 143 | 133 Ų | 133 | 66% | 0.662 | 72% | 0.718 | S | S | * | * | trans | 79.2 | 155.8 | 154 | -68.5 | -37 | 0 | 0 | 0 | 121.5 | ||||
| 1733 | H | 25.1 | Very low | 26.8 | Very low | 129 Ų | 129 | 137.9 Ų | 137.9 | 60% | 0.597 | 72% | 0.72 | S | S | * | * | cis | -163.7 | 166.4 | -5.7 | -121.7 | -51.9 | 0 | 0 | 0 | 114.1 | ||||
| 1734 | H | 28.8 | Very low | 27 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 69% | 0.685 | 71% | 0.713 | S | S | * | * | trans | 58.6 | 152.2 | 152.1 | -73.8 | -63.6 | 0 | 0 | 0 | 121.1 | ||||
| 1735 | H | 38.3 | Very low | 26.9 | Very low | 158 Ų | 158 | 135.9 Ų | 135.9 | 73% | 0.731 | 71% | 0.707 | S | S | * | * | cis | 81.3 | 139.4 | 40.5 | -123.8 | -104.7 | 0 | 0 | 0 | 114.2 | ||||
| 1736 | Y | 32.8 | Very low | 27 | Very low | 201 Ų | 201 | 136.2 Ų | 136.2 | 79% | 0.788 | 71% | 0.707 | S | S | * | * | trans | 33.9 | 104.5 | 170.7 | -88.4 | -116 | 0 | 0 | 0 | 117.3 | ||||
| 1737 | S | 23.9 | Very low | 27 | Very low | 90 Ų | 90 | 133.9 Ų | 133.9 | 63% | 0.629 | 69% | 0.692 | S | S | * | * | 49.9 | 128.6 | 74.6 | 81.6 | 0 | 0 | 0 | 0 | 116 | |||||
| 1738 | H | 23.3 | Very low | 27 | Very low | 172 Ų | 172 | 138.6 Ų | 138.6 | 80% | 0.796 | 69% | 0.694 | S | S | * | * | trans | 63.4 | 70.2 | 168.3 | -90.9 | -94.3 | 0 | 0 | 0 | 119 | ||||
| 1739 | A | 24.3 | Very low | 26.7 | Very low | 81 Ų | 81 | 138.6 Ų | 138.6 | 67% | 0.669 | 69% | 0.693 | S | S | * | * | 57.9 | 149.6 | 98.7 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 1740 | Q | 23.7 | Very low | 26.8 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 73% | 0.729 | 70% | 0.698 | S | S | * | * | 101.6 | 154 | 125.9 | -110.4 | -176.7 | 8.1 | 0 | 0 | 120.6 | |||||
| 1741 | I | 23.1 | Very low | 26.5 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 59% | 0.59 | 69% | 0.694 | S | S | * | * | trans | 56.3 | 96.3 | 156.6 | -58.3 | 156 | 0 | 0 | 0 | 115.1 | Y1743 | I1741-Y1743 HydrophobicContact CG2-CD2 3.6Å; I1741-Y1743 HydrophobicContact CG2-CE2 3.65Å | ||
| 1742 | I | 25.4 | Very low | 26.8 | Very low | 162 Ų | 162 | 139.5 Ų | 139.5 | 83% | 0.831 | 70% | 0.702 | S | S | * | * | S | Bend | -140.8 | 133.8 | 91.2 | -66 | -161.1 | 0 | 0 | 0 | 107.5 | |||
| 1743 | Y | 26.2 | Very low | 27 | Very low | 186 Ų | 186 | 137.8 Ų | 137.8 | 73% | 0.729 | 70% | 0.703 | S | S | * | * | S | Bend | cis | -165.2 | 168 | -15.5 | -123.4 | -108.9 | 0 | 0 | 0 | 104.2 | I1741 | I1741-Y1743 HydrophobicContact CG2-CD2 3.6Å; I1741-Y1743 HydrophobicContact CG2-CE2 3.65Å |
| 1744 | P | 31.2 | Very low | 27.1 | Very low | 99 Ų | 99 | 139.1 Ų | 139.1 | 64% | 0.643 | 71% | 0.713 | S | S | * | * | cis | -106.4 | -168.8 | -46.5 | 28.3 | -5.4 | 0 | 0 | 0 | 108.6 | ||||
| 1745 | Q | 23.9 | Very low | 26.9 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | cis | 57.5 | 161.7 | 36.4 | -73.8 | -74.4 | -20.7 | 0 | 0 | 111.2 | ||||
| 1746 | P | 30.1 | Very low | 26.3 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 66% | 0.656 | 72% | 0.718 | S | S | * | * | cis | -126.1 | 162.6 | 15.3 | 45.3 | -31.2 | 0 | 0 | 0 | 115.8 | ||||
| 1747 | T | 27.3 | Very low | 25.9 | Very low | 81 Ų | 81 | 129.7 Ų | 129.7 | 50% | 0.497 | 72% | 0.716 | S | S | . | * | 19.8 | 156.5 | 126.2 | 82.7 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 1748 | R | 28.2 | Very low | 26.1 | Very low | 218 Ų | 218 | 129.1 Ų | 129.1 | 82% | 0.823 | 72% | 0.724 | S | S | * | * | cis | -157.1 | 133.1 | 38.2 | -122.8 | 133.7 | -166.8 | -153.2 | -0.8 | 106.7 | ||||
| 1749 | C | 23.2 | Very low | 26.1 | Very low | 96 Ų | 96 | 125.6 Ų | 125.6 | 65% | 0.649 | 72% | 0.719 | S | S | * | * | 68.8 | 148.3 | 69.5 | -57.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1750 | Y | 27.8 | Very low | 26.4 | Very low | 214 Ų | 214 | 131 Ų | 131 | 84% | 0.839 | 73% | 0.728 | S | S | * | * | trans | 79.2 | 106.8 | 155.7 | -76 | -151.6 | 0 | 0 | 0 | 118.4 | ||||
| 1751 | S | 22.1 | Very low | 26.4 | Very low | 97 Ų | 97 | 128.3 Ų | 128.3 | 68% | 0.678 | 73% | 0.726 | S | S | * | * | 30.9 | 122.3 | 120.3 | 60.9 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 1752 | T | 29.1 | Very low | 26.5 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | trans | -41.2 | 168 | 142.4 | 50.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1753 | P | 30.3 | Very low | 26.4 | Very low | 108 Ų | 108 | 129 Ų | 129 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | cis | -135.4 | -153.7 | 19.4 | 38.1 | -15.5 | 0 | 0 | 0 | 114.1 | ||||
| 1754 | I | 25.6 | Very low | 26.4 | Very low | 157 Ų | 157 | 125.7 Ų | 125.7 | 81% | 0.805 | 73% | 0.725 | S | S | * | * | trans | 70.1 | 103.8 | 178.2 | -44.5 | 170.8 | 0 | 0 | 0 | 112.4 | ||||
| 1755 | G | 24.4 | Very low | 26.2 | Very low | 68 Ų | 68 | 127.8 Ų | 127.8 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | cis | 100.1 | 96.3 | 1.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1756 | T | 27.2 | Very low | 26.4 | Very low | 133 Ų | 133 | 126.3 Ų | 126.3 | 82% | 0.816 | 72% | 0.723 | S | S | * | * | trans | -161.3 | 139.3 | 163.2 | 12.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1757 | S | 23.5 | Very low | 26.3 | Very low | 108 Ų | 108 | 127.7 Ų | 127.7 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | trans | 18.5 | 124.1 | 153.9 | 56.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1758 | G | 28.3 | Very low | 26.1 | Very low | 77 Ų | 77 | 130.8 Ų | 130.8 | 79% | 0.794 | 74% | 0.736 | S | S | * | * | trans | 165.3 | 63.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1759 | S | 22.9 | Very low | 26.1 | Very low | 98 Ų | 98 | 125.2 Ų | 125.2 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | cis | 64.1 | 69.3 | 40.3 | 82.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1760 | K | 30.3 | Very low | 26.1 | Very low | 196 Ų | 196 | 128 Ų | 128 | 85% | 0.852 | 74% | 0.735 | S | S | * | * | trans | -179.9 | 125.2 | 145.8 | -95.2 | 155.4 | -175.2 | -178 | 0 | 107.9 | ||||
| 1761 | S | 25.4 | Very low | 26.1 | Very low | 98 Ų | 98 | 122.7 Ų | 122.7 | 69% | 0.685 | 73% | 0.727 | S | S | * | * | cis | 58.7 | 140.4 | -0.3 | -161 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1762 | L | 23.6 | Very low | 26 | Very low | 148 Ų | 148 | 122.7 Ų | 122.7 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | trans | 65.8 | 146 | -173.9 | -42.7 | 177.7 | 0 | 0 | 0 | 111.5 | ||||
| 1763 | L | 24.9 | Very low | 25.7 | Very low | 145 Ų | 145 | 127.1 Ų | 127.1 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | cis | -139.3 | 157.8 | 32.9 | -71 | 163.7 | 0 | 0 | 0 | 109.1 | ||||
| 1764 | L | 26 | Very low | 25.5 | Very low | 116 Ų | 116 | 129.1 Ų | 129.1 | 61% | 0.607 | 73% | 0.733 | S | S | * | * | cis | -159.1 | 162.1 | 8.3 | -123.8 | 166.1 | 0 | 0 | 0 | 110.8 | ||||
| 1765 | H | 26 | Very low | 25.3 | Very low | 143 Ų | 143 | 125.6 Ų | 125.6 | 66% | 0.662 | 73% | 0.727 | S | S | * | * | trans | 65.3 | 141.9 | 166.7 | -59.7 | -57.9 | 0 | 0 | 0 | 117.6 | ||||
| 1766 | N | 28.3 | Very low | 25.4 | Very low | 120 Ų | 120 | 127.9 Ų | 127.9 | 64% | 0.642 | 73% | 0.728 | S | S | * | * | cis | -154.3 | 157.6 | -8.9 | -115 | -8 | 0 | 0 | 0 | 112.6 | ||||
| 1767 | L | 27.1 | Very low | 25.3 | Very low | 130 Ų | 130 | 128.2 Ų | 128.2 | 68% | 0.681 | 73% | 0.725 | S | S | * | * | trans | 13.2 | 130.2 | 139.7 | -56.5 | 168.2 | 0 | 0 | 0 | 118.1 | ||||
| 1768 | I | 23.3 | Very low | 25.5 | Very low | 145 Ų | 145 | 130 Ų | 130 | 74% | 0.744 | 72% | 0.723 | S | S | * | * | 54.2 | 125.9 | 71.1 | -63.1 | 175.9 | 0 | 0 | 0 | 112.1 | |||||
| 1769 | P | 29.5 | Very low | 25.5 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 66% | 0.656 | 72% | 0.719 | S | S | * | * | cis | -143.5 | -145 | -22.9 | 39.6 | -17.1 | 0 | 0 | 0 | 111.6 | ||||
| 1770 | I | 21.7 | Very low | 25.8 | Very low | 156 Ų | 156 | 135.8 Ų | 135.8 | 80% | 0.8 | 72% | 0.72 | S | S | * | * | trans | 79.7 | 149.8 | 149.6 | -87.7 | 169.4 | 0 | 0 | 0 | 117.8 | ||||
| 1771 | P | 27.7 | Very low | 25.7 | Very low | 101 Ų | 101 | 131.9 Ų | 131.9 | 66% | 0.656 | 72% | 0.718 | S | S | * | * | trans | -135 | -177.1 | -144.5 | 41.6 | -22.9 | 0 | 0 | 0 | 116 | ||||
| 1772 | S | 21.7 | Very low | 26 | Very low | 98 Ų | 98 | 130.4 Ų | 130.4 | 69% | 0.685 | 72% | 0.717 | S | S | * | * | trans | 58 | 121.3 | 147.4 | 68.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1773 | R | 22.8 | Very low | 26.2 | Very low | 223 Ų | 223 | 131.2 Ų | 131.2 | 84% | 0.842 | 72% | 0.723 | S | S | * | * | 169.8 | 167.2 | 116.2 | -96.4 | 174.8 | 178.4 | -153.4 | -0.8 | 111.3 | |||||
| 1774 | L | 24.5 | Very low | 26.5 | Very low | 150 Ų | 150 | 128.3 Ų | 128.3 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | trans | 49.8 | 91.3 | 153.3 | -66.2 | 158.4 | 0 | 0 | 0 | 115.2 | ||||
| 1775 | A | 22.2 | Very low | 26.6 | Very low | 84 Ų | 84 | 130.2 Ų | 130.2 | 69% | 0.694 | 73% | 0.725 | S | S | * | * | 72.4 | 163.2 | 59.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1776 | T | 27 | Very low | 26.6 | Very low | 115 Ų | 115 | 128 Ų | 128 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | trans | 73.1 | 111.6 | -177.1 | 71.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1777 | N | 24.2 | Very low | 26.5 | Very low | 141 Ų | 141 | 128.2 Ų | 128.2 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | 66.6 | 140.2 | 116.5 | -60.4 | -4 | 0 | 0 | 0 | 119.2 | |||||
| 1778 | M | 28.4 | Very low | 26.3 | Very low | 145 Ų | 145 | 127.4 Ų | 127.4 | 71% | 0.714 | 74% | 0.737 | S | S | * | * | cis | -157.4 | 148.8 | 14.8 | -115.2 | -126.2 | 164.7 | 0 | 0 | 111.2 | ||||
| 1779 | K | 29 | Very low | 26.4 | Very low | 164 Ų | 164 | 127 Ų | 127 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | trans | 68.1 | 156.9 | 155.2 | -62.7 | -174.7 | 166 | -164.5 | 0 | 118.4 | ||||
| 1780 | D | 27.9 | Very low | 26.3 | Very low | 132 Ų | 132 | 128.6 Ų | 128.6 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | cis | -167.6 | 156 | -21.6 | -93 | -23.1 | 0 | 0 | 0 | 104.9 | ||||
| 1781 | S | 29.1 | Very low | 26.4 | Very low | 115 Ų | 115 | 127 Ų | 127 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | cis | -166.3 | 172.7 | -20.2 | 61.4 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1782 | G | 30.1 | Very low | 26.4 | Very low | 66 Ų | 66 | 129.9 Ų | 129.9 | 68% | 0.68 | 72% | 0.724 | S | S | * | * | cis | -179.2 | 178.4 | -0.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1783 | N | 29.4 | Very low | 26.6 | Very low | 166 Ų | 166 | 126.9 Ų | 126.9 | 89% | 0.888 | 71% | 0.706 | S | S | * | * | trans | 64.3 | 135 | 179.9 | -72.2 | -0 | 0 | 0 | 0 | 118.8 | ||||
| 1784 | S | 30 | Very low | 26.8 | Very low | 84 Ų | 84 | 123.3 Ų | 123.3 | 59% | 0.587 | 70% | 0.7 | S | S | * | * | cis | -162.5 | 123.8 | -16.6 | 45.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1785 | N | 28.6 | Very low | 26.6 | Very low | 155 Ų | 155 | 121.9 Ų | 121.9 | 83% | 0.829 | 69% | 0.693 | S | S | * | * | trans | 60.4 | 149.3 | 139.6 | -57.7 | -8.1 | 0 | 0 | 0 | 120.2 | ||||
| 1786 | S | 25.9 | Very low | 26.9 | Very low | 96 Ų | 96 | 122.4 Ų | 122.4 | 67% | 0.671 | 69% | 0.69 | S | S | * | * | cis | 172 | 148.7 | -22.7 | 54.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1787 | T | 26.6 | Very low | 26.8 | Very low | 125 Ų | 125 | 123 Ų | 123 | 77% | 0.767 | 69% | 0.688 | S | S | * | * | cis | -161.4 | 163.3 | 8.1 | -6.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1788 | S | 22.3 | Very low | 26.9 | Very low | 114 Ų | 114 | 122.4 Ų | 122.4 | 80% | 0.797 | 68% | 0.681 | S | S | * | * | trans | -101.5 | 126.7 | 151.3 | -72.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1789 | N | 26 | Very low | 26.8 | Very low | 136 Ų | 136 | 125.5 Ų | 125.5 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | trans | 178.2 | 145.2 | 163.1 | -91.1 | -36 | 0 | 0 | 0 | 105.6 | ||||
| 1790 | Q | 27.9 | Very low | 26.4 | Very low | 134 Ų | 134 | 124.9 Ų | 124.9 | 63% | 0.626 | 69% | 0.689 | S | S | * | * | cis | -151.1 | 137.9 | 6.8 | -120.2 | 163.7 | 35.2 | 0 | 0 | 108.2 | ||||
| 1791 | M | 23.6 | Very low | 26.4 | Very low | 123 Ų | 123 | 123.9 Ų | 123.9 | 61% | 0.606 | 69% | 0.69 | S | S | * | * | 68.6 | 137.3 | 109.6 | -82.1 | -86.6 | -83.1 | 0 | 0 | 117 | H1657 | H1657-M1791 PolarHBondContact CD2-O 3.46Š| |||
| 1792 | Y | 28.1 | Very low | 26.1 | Very low | 161 Ų | 161 | 123.2 Ų | 123.2 | 63% | 0.631 | 69% | 0.685 | S | S | * | * | trans | 150.7 | 151.3 | -176.8 | -50.5 | -82.3 | 0 | 0 | 0 | 110.2 | H1657 | H1657-Y1792 WeakPolarHBondContact CD2-CA 3.17Å; H1657-Y1792 PolarHBondContact CD2-N 3.24Å; H1657-Y1792 PolarHBondContact CD2-O 2.97Å; H1657-Y1792 PolarHBondContact CE1-O 2.9Å; H1657-Y1792 PolarHBondContact ND1-O 2.8Å | ||
| 1793 | A | 24.5 | Very low | 26 | Very low | 36 Ų | 36 | 128.5 Ų | 128.5 | 30% | 0.298 | 69% | 0.692 | S | S | . | * | trans | -169.4 | 141.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | N1658 V1659 | N1658-A1793 CarbonylContact O-C 3.57Å; N1658-A1793 WeakPolarHBondContact O-CA 3.37Å; N1658-A1793 WeakPolarHBondContact O-CB 3.41Å; V1659-A1793 HydrophobicContact CG2-CB 4.18Å | ||
| 1794 | M | 26.7 | Very low | 26.2 | Very low | 147 Ų | 147 | 128 Ų | 128 | 72% | 0.724 | 69% | 0.688 | S | S | * | * | trans | 143.1 | 146 | 130.6 | -72.7 | -178.7 | -169.7 | 0 | 0 | 113.2 | N1658 | N1658-M1794 WeakPolarHBondContact O-CA 3.47Å; N1658-M1794 PolarHBondContact O-N 2.9Å | ||
| 1795 | L | 22 | Very low | 26.3 | Very low | 120 Ų | 120 | 128.5 Ų | 128.5 | 63% | 0.628 | 68% | 0.681 | S | S | * | * | trans | -65.6 | 174 | 154.2 | -84.1 | 89.5 | 0 | 0 | 0 | 110.1 | V1659 | V1659-L1795 VanDerWaalsContact O-CD1 3.27Å; V1659-L1795 WeakPolarHBondContact O-CD1 3.33Å | ||
| 1796 | P | 28.4 | Very low | 26.2 | Very low | 96 Ų | 96 | 124 Ų | 124 | 62% | 0.623 | 66% | 0.655 | S | S | * | * | cis | -128.1 | 175.9 | -5 | 35.7 | -18.8 | 0 | 0 | 0 | 113.6 | ||||
| 1797 | N | 24.3 | Very low | 26.1 | Very low | 127 Ų | 127 | 122.8 Ų | 122.8 | 68% | 0.679 | 64% | 0.639 | S | S | * | * | 172.8 | 137.2 | 113.5 | -97.5 | -72.4 | 0 | 0 | 0 | 114.5 | |||||
| 1798 | Q | 26.4 | Very low | 26.4 | Very low | 129 Ų | 129 | 124.2 Ų | 124.2 | 60% | 0.603 | 64% | 0.637 | S | S | * | * | trans | 55.5 | 120.5 | 143.2 | -65.4 | 175.5 | 58.2 | 0 | 0 | 122.1 | ||||
| 1799 | R | 25.9 | Very low | 26.9 | Very low | 210 Ų | 210 | 124.1 Ų | 124.1 | 79% | 0.792 | 62% | 0.624 | S | S | * | * | trans | 67.9 | 123.9 | 133.5 | -65 | 173.3 | -176.9 | 155.7 | -2.8 | 117.3 | ||||
| 1800 | D | 21.1 | Very low | 26.9 | Very low | 150 Ų | 150 | 122.3 Ų | 122.3 | 80% | 0.802 | 62% | 0.621 | S | S | * | * | cis | 51.1 | 116.6 | 18.5 | -82.4 | -8.3 | 0 | 0 | 0 | 116.2 | ||||
| 1801 | P | 28.4 | Very low | 27 | Very low | 111 Ų | 111 | 120.8 Ų | 120.8 | 72% | 0.721 | 62% | 0.617 | S | S | * | * | cis | -141.2 | -171.6 | -16.8 | 40.3 | -21.1 | 0 | 0 | 0 | 114.7 | ||||
| 1802 | S | 21.7 | Very low | 27 | Very low | 102 Ų | 102 | 121.2 Ų | 121.2 | 71% | 0.713 | 62% | 0.621 | S | S | * | * | trans | 64.5 | 117.6 | 150.5 | 61.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1803 | H | 29.2 | Very low | 27 | Very low | 176 Ų | 176 | 118.7 Ų | 118.7 | 82% | 0.815 | 61% | 0.614 | S | S | * | * | trans | 34 | 118.6 | 139.8 | -83.3 | -86 | 0 | 0 | 0 | 121 | ||||
| 1804 | L | 32.6 | Very low | 27.4 | Very low | 155 Ų | 155 | 121.7 Ų | 121.7 | 81% | 0.812 | 62% | 0.622 | S | S | * | * | trans | -137.5 | 140.8 | 135.9 | -156.5 | 72.8 | 0 | 0 | 0 | 110.5 | ||||
| 1805 | H | 32.2 | Very low | 27.4 | Very low | 95 Ų | 95 | 118.4 Ų | 118.4 | 44% | 0.44 | 61% | 0.605 | S | S | . | * | trans | -69.4 | 152.7 | 162.8 | -120.6 | 62.3 | 0 | 0 | 0 | 108 | H1813 Q1815 | H1805-H1813 PolarHBondContact CD2-O 3.11Å; H1805-H1813 VanDerWaalsContact CD2-O 3.24Å; H1805-Q1815 PolarHBondContact CD2-N 3.45Å; H1805-Q1815 VanDerWaalsContact CD2-N 3.26Å; H1805-Q1815 VanDerWaalsContact CG-N 3.3Å; H1805-Q1815 PolarHBondContact ND1-N 3.04Å | ||
| 1806 | Q | 26.1 | Very low | 27.6 | Very low | 61 Ų | 61 | 120.9 Ų | 120.9 | 29% | 0.285 | 61% | 0.613 | S | S | . | * | -172.3 | 84.3 | 70.9 | -178.8 | 58.6 | 74.1 | 0 | 0 | 110 | H1809 H1813 H1814 | Q1806-H1809 PolarHBondContact O-CE1 3.21Å; Q1806-H1809 PolarHBondContact O-NE2 3.11Å; Q1806-H1813 VanDerWaalsContact NE2-C 3.3Å; Q1806-H1813 PolarHBondContact NE2-O 3.28Å; Q1806-H1813 VanDerWaalsContact OE1-C 3.29Å; Q1806-H1813 PolarHBondContact OE1-O 3.44Å; Q1806-H1814 PolarHBondContact OE1-ND1 3.09Å | |||
| 1807 | Q | 24.9 | Very low | 27.3 | Very low | 70 Ų | 70 | 122.1 Ų | 122.1 | 33% | 0.327 | 62% | 0.619 | S | S | . | * | trans | 62 | 146.3 | 152.4 | -72.4 | 174.1 | -15.1 | 0 | 0 | 122.1 | H1809 I1812 H1813 | Q1807-H1809 PolarHBondContact O-CE1 3.45Å; Q1807-H1809 PolarHBondContact O-ND1 3.09Å; Q1807-I1812 PolarHBondContact NE2-O 3.42Å; Q1807-I1812 VanDerWaalsContact OE1-CA 3.24Å; Q1807-I1812 PolarHBondContact OE1-O 2.81Å; Q1807-H1813 PolarHBondContact NE2-O 3.06Å | ||
| 1808 | Q | 33.1 | Very low | 27.3 | Very low | 155 Ų | 155 | 121.6 Ų | 121.6 | 72% | 0.724 | 63% | 0.626 | S | S | * | * | S | Bend | 49.8 | -145.2 | 127.2 | -57.1 | 149.6 | -24.1 | 0 | 0 | 118 | S1810 | Q1808-S1810 VanDerWaalsContact CB-O 3.32Å; Q1808-S1810 WeakPolarHBondContact CB-O 3.48Å; Q1808-S1810 PolarHBondContact OE1-O 2.96Å; Q1808-S1810 VanDerWaalsContact OE1-O 3.11Å | |
| 1809 | H | 31.7 | Very low | 27.1 | Very low | 113 Ų | 113 | 119.5 Ų | 119.5 | 52% | 0.523 | 63% | 0.63 | S | S | . | * | S | Bend | -152.9 | 157.2 | 57.9 | -80.7 | -39.1 | 0 | 0 | 0 | 112.5 | Q1806 Q1807 L1811 | Q1806-H1809 PolarHBondContact O-CE1 3.21Å; Q1806-H1809 PolarHBondContact O-NE2 3.11Å; Q1807-H1809 PolarHBondContact O-CE1 3.45Å; Q1807-H1809 PolarHBondContact O-ND1 3.09Å; H1809-L1811 HydrophobicContact CB-CD1 3.98Å; H1809-L1811 HydrophobicContact CB-CG 3.75Å; H1809-L1811 PolarHBondContact ND1-N 3.18Å | |
| 1810 | S | 26.6 | Very low | 27.1 | Very low | 97 Ų | 97 | 114.9 Ų | 114.9 | 68% | 0.678 | 63% | 0.63 | S | S | * | * | S | Bend | cis | -54.3 | 125.6 | 13.2 | -50 | 0 | 0 | 0 | 0 | 113.9 | Q1808 | Q1808-S1810 VanDerWaalsContact CB-O 3.32Å; Q1808-S1810 WeakPolarHBondContact CB-O 3.48Å; Q1808-S1810 PolarHBondContact OE1-O 2.96Å; Q1808-S1810 VanDerWaalsContact OE1-O 3.11Å |
| 1811 | L | 28.8 | Very low | 27.7 | Very low | 102 Ų | 102 | 113.4 Ų | 113.4 | 53% | 0.534 | 63% | 0.629 | S | S | . | * | 64.7 | 95.1 | 54.9 | -65.7 | 149.4 | 0 | 0 | 0 | 105 | H1809 | H1809-L1811 HydrophobicContact CB-CD1 3.98Å; H1809-L1811 HydrophobicContact CB-CG 3.75Å; H1809-L1811 PolarHBondContact ND1-N 3.18Å | |||
| 1812 | I | 25.4 | Very low | 27.9 | Very low | 133 Ų | 133 | 113.4 Ų | 113.4 | 68% | 0.682 | 63% | 0.629 | S | S | * | * | -163.5 | 149.3 | 65.8 | -99.5 | 141.9 | 0 | 0 | 0 | 113.8 | Q1807 | Q1807-I1812 PolarHBondContact NE2-O 3.42Å; Q1807-I1812 VanDerWaalsContact OE1-CA 3.24Å; Q1807-I1812 PolarHBondContact OE1-O 2.81Å | |||
| 1813 | H | 28.1 | Very low | 28.2 | Very low | 108 Ų | 108 | 114.9 Ų | 114.9 | 50% | 0.5 | 63% | 0.629 | S | S | . | * | trans | 64.9 | -178.6 | 158.7 | -91.1 | -101.1 | 0 | 0 | 0 | 122.5 | H1805 Q1806 Q1807 | H1805-H1813 PolarHBondContact CD2-O 3.11Å; H1805-H1813 VanDerWaalsContact CD2-O 3.24Å; Q1806-H1813 VanDerWaalsContact NE2-C 3.3Å; Q1806-H1813 PolarHBondContact NE2-O 3.28Å; Q1806-H1813 VanDerWaalsContact OE1-C 3.29Å; Q1806-H1813 PolarHBondContact OE1-O 3.44Å; Q1807-H1813 PolarHBondContact NE2-O 3.06Å | ||
| 1814 | H | 32 | Very low | 28.1 | Very low | 99 Ų | 99 | 112.3 Ų | 112.3 | 46% | 0.458 | 62% | 0.621 | S | S | . | * | -93.5 | 163.3 | -117.5 | -98.5 | 11.5 | 0 | 0 | 0 | 113.7 | Q1806 | Q1806-H1814 PolarHBondContact OE1-ND1 3.09Š| |||
| 1815 | Q | 26.4 | Very low | 28 | Very low | 78 Ų | 78 | 115.9 Ų | 115.9 | 36% | 0.364 | 62% | 0.623 | S | S | . | * | S | Bend | 46.4 | 131.4 | 79.3 | -127.7 | -168.5 | 50.7 | 0 | 0 | 112 | H1805 | H1805-Q1815 PolarHBondContact CD2-N 3.45Å; H1805-Q1815 VanDerWaalsContact CD2-N 3.26Å; H1805-Q1815 VanDerWaalsContact CG-N 3.3Å; H1805-Q1815 PolarHBondContact ND1-N 3.04Å | |
| 1816 | Q | 25.9 | Very low | 27.8 | Very low | 171 Ų | 171 | 114.4 Ų | 114.4 | 80% | 0.799 | 63% | 0.634 | S | S | * | * | S | Bend | trans | 64.7 | -158.7 | 165 | -48.2 | 166.7 | 1.7 | 0 | 0 | 114.7 | ||
| 1817 | T | 22.3 | Very low | 28 | Very low | 122 Ų | 122 | 120.8 Ų | 120.8 | 75% | 0.748 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -78.5 | 149.2 | -172 | 47 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1818 | S | 23.6 | Very low | 28 | Very low | 117 Ų | 117 | 121.2 Ų | 121.2 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | trans | 85.2 | 150.7 | 153.5 | 81 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1819 | A | 24 | Very low | 28 | Very low | 84 Ų | 84 | 119.5 Ų | 119.5 | 69% | 0.694 | 68% | 0.675 | S | S | * | * | trans | 70.6 | 111.2 | 154.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1820 | S | 24.4 | Very low | 27.8 | Very low | 114 Ų | 114 | 121 Ų | 121 | 80% | 0.797 | 68% | 0.684 | S | S | * | * | 63.1 | 149.2 | 120.9 | -53.4 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 1821 | P | 35.3 | Very low | 27.7 | Very low | 119 Ų | 119 | 122.9 Ų | 122.9 | 77% | 0.773 | 68% | 0.68 | S | S | * | * | trans | -92.9 | -163.4 | 171.9 | 44.4 | -40.4 | 0 | 0 | 0 | 111.2 | ||||
| 1822 | P | 32.1 | Very low | 27.5 | Very low | 110 Ų | 110 | 124.4 Ų | 124.4 | 71% | 0.714 | 68% | 0.684 | S | S | * | * | cis | -148.6 | -178.8 | 9.3 | 45.3 | -24.2 | 0 | 0 | 0 | 120 | ||||
| 1823 | D | 27.2 | Very low | 27.4 | Very low | 134 Ų | 134 | 123.8 Ų | 123.8 | 72% | 0.717 | 68% | 0.678 | S | S | * | * | trans | 73.5 | 115 | 136.8 | -100.2 | 44.6 | 0 | 0 | 0 | 127 | ||||
| 1824 | N | 28.2 | Very low | 27.1 | Very low | 121 Ų | 121 | 127 Ų | 127 | 65% | 0.647 | 69% | 0.687 | S | S | * | * | 84.2 | 149.8 | 113.7 | -118.2 | -42.1 | 0 | 0 | 0 | 125.6 | |||||
| 1825 | R | 29.9 | Very low | 26.8 | Very low | 230 Ų | 230 | 131.4 Ų | 131.4 | 87% | 0.868 | 71% | 0.706 | S | S | * | * | trans | 68.3 | 144.2 | 160 | -64 | 171.5 | -177.9 | 171.6 | 0.7 | 119.1 | ||||
| 1826 | G | 28.6 | Very low | 26.6 | Very low | 65 Ų | 65 | 131.5 Ų | 131.5 | 67% | 0.67 | 72% | 0.715 | S | S | * | * | cis | 150.6 | -154.4 | -4.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1827 | Q | 29.3 | Very low | 26.6 | Very low | 194 Ų | 194 | 131.1 Ų | 131.1 | 91% | 0.907 | 71% | 0.713 | S | S | * | * | trans | 72.4 | 146.9 | 173.8 | -72.5 | -163.5 | 70 | 0 | 0 | 116.5 | ||||
| 1828 | S | 26.2 | Very low | 26.6 | Very low | 80 Ų | 80 | 129.4 Ų | 129.4 | 56% | 0.559 | 71% | 0.711 | S | S | * | * | cis | -162.8 | 179 | -12.9 | -174.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1829 | T | 31.9 | Very low | 26.8 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 72% | 0.724 | 71% | 0.709 | S | S | * | * | trans | 93.3 | 140.2 | 159.6 | 74 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1830 | M | 27 | Very low | 26.8 | Very low | 145 Ų | 145 | 131.6 Ų | 131.6 | 71% | 0.714 | 71% | 0.707 | S | S | * | * | cis | -143.6 | 128.9 | -26.1 | -100.4 | -117.6 | -176.9 | 0 | 0 | 105.7 | ||||
| 1831 | K | 25.1 | Very low | 26.8 | Very low | 137 Ų | 137 | 133.2 Ų | 133.2 | 60% | 0.596 | 70% | 0.702 | S | S | * | * | 57.2 | 112.5 | 84.5 | -75.7 | -169.7 | 153.4 | -161.4 | 0 | 111.3 | |||||
| 1832 | H | 25.2 | Very low | 26.2 | Very low | 134 Ų | 134 | 131.9 Ų | 131.9 | 62% | 0.62 | 69% | 0.688 | S | S | * | * | 94.3 | 162.2 | 101.8 | -73.2 | -7.4 | 0 | 0 | 0 | 111.6 | |||||
| 1833 | Q | 22.7 | Very low | 26.1 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 56% | 0.556 | 69% | 0.691 | S | S | * | * | cis | -160 | -179.5 | -1.4 | -129 | 154.1 | -21.1 | 0 | 0 | 111 | ||||
| 1834 | Y | 21.7 | Very low | 26 | Very low | 176 Ų | 176 | 131.3 Ų | 131.3 | 69% | 0.69 | 68% | 0.684 | S | S | * | * | trans | 49.1 | 95 | 149.4 | -57.7 | -48.4 | 0 | 0 | 0 | 119.1 | ||||
| 1835 | F | 26.6 | Very low | 25.8 | Very low | 192 Ų | 192 | 132 Ų | 132 | 84% | 0.842 | 68% | 0.683 | S | S | * | * | -120 | 133.5 | 93.1 | -98 | -101.1 | 0 | 0 | 0 | 107 | |||||
| 1836 | S | 21.9 | Very low | 25.6 | Very low | 79 Ų | 79 | 129.8 Ų | 129.8 | 55% | 0.552 | 68% | 0.682 | S | S | * | * | cis | 82 | 134.8 | 26.3 | -159.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1837 | Q | 26.2 | Very low | 25.2 | Very low | 164 Ų | 164 | 136 Ų | 136 | 77% | 0.766 | 69% | 0.687 | S | S | * | * | trans | 68.8 | 126 | -171.9 | -49.2 | -177.3 | -0.8 | 0 | 0 | 112 | ||||
| 1838 | A | 22.1 | Very low | 24.9 | Very low | 85 Ų | 85 | 134.1 Ų | 134.1 | 70% | 0.702 | 68% | 0.678 | S | S | * | * | cis | 62 | 135.7 | 47 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1839 | T | 26.8 | Very low | 24.8 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 79% | 0.785 | 69% | 0.686 | S | S | * | * | cis | -123 | 133.8 | 31.6 | 53.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1840 | N | 23.9 | Very low | 24.3 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 64% | 0.636 | 69% | 0.69 | S | S | * | * | 53.8 | 100.1 | 64.6 | -169 | 21.8 | 0 | 0 | 0 | 112 | |||||
| 1841 | Q | 24.4 | Very low | 24.6 | Very low | 149 Ų | 149 | 138.9 Ų | 138.9 | 70% | 0.696 | 69% | 0.691 | S | S | * | * | 174.2 | 135.7 | 111.9 | -88.2 | -157 | 35.7 | 0 | 0 | 110.7 | |||||
| 1842 | N | 23.9 | Very low | 25.1 | Very low | 91 Ų | 91 | 139.4 Ų | 139.4 | 49% | 0.487 | 70% | 0.701 | S | S | . | * | 37.8 | 131.5 | 118.4 | -39.7 | -24.6 | 0 | 0 | 0 | 116.5 | |||||
| 1843 | T | 29.6 | Very low | 25.6 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 77% | 0.773 | 70% | 0.699 | S | S | * | * | -163 | 155.6 | 54.6 | 38.7 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1844 | N | 24.6 | Very low | 25.7 | Very low | 106 Ų | 106 | 139.4 Ų | 139.4 | 57% | 0.567 | 71% | 0.709 | S | S | * | * | cis | -155.2 | 142.3 | -20.2 | -114 | 0.9 | 0 | 0 | 0 | 106 | ||||
| 1845 | H | 25.1 | Very low | 26 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 63% | 0.63 | 71% | 0.706 | S | S | * | * | 39 | 109.9 | 92.2 | -57.5 | -18.5 | 0 | 0 | 0 | 112.3 | |||||
| 1846 | Q | 24.3 | Very low | 25.7 | Very low | 183 Ų | 183 | 132.2 Ų | 132.2 | 86% | 0.855 | 70% | 0.697 | S | S | * | * | -174.3 | 153.1 | 90.6 | -93.2 | 166.2 | -18 | 0 | 0 | 107.2 | |||||
| 1847 | Y | 21.7 | Very low | 26.2 | Very low | 196 Ų | 196 | 132.2 Ų | 132.2 | 77% | 0.769 | 70% | 0.697 | S | S | * | * | cis | 169.6 | 165.2 | -13.9 | -133.2 | -91 | 0 | 0 | 0 | 102.6 | ||||
| 1848 | Q | 21.5 | Very low | 26.1 | Very low | 154 Ų | 154 | 130.3 Ų | 130.3 | 72% | 0.72 | 69% | 0.693 | S | S | * | * | trans | 74 | 125.8 | 160.8 | -72.8 | -169.2 | -13.7 | 0 | 0 | 121.5 | ||||
| 1849 | Q | 24 | Very low | 26.7 | Very low | 155 Ų | 155 | 134.5 Ų | 134.5 | 72% | 0.724 | 70% | 0.695 | S | S | * | * | 98.2 | 156.2 | 128.3 | -78.7 | -176.9 | 85.5 | 0 | 0 | 122.3 | |||||
| 1850 | Q | 21.8 | Very low | 26.5 | Very low | 171 Ų | 171 | 133.8 Ų | 133.8 | 80% | 0.799 | 69% | 0.685 | S | S | * | * | trans | -76.8 | -177.2 | 178.3 | -48.4 | 151.6 | -20.3 | 0 | 0 | 110 | ||||
| 1851 | P | 34.6 | Very low | 26.8 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 75% | 0.753 | 69% | 0.687 | S | S | * | * | cis | -127.2 | -151.5 | -17.3 | 21.8 | 4.3 | 0 | 0 | 0 | 110 | ||||
| 1852 | N | 34.6 | Very low | 27.4 | Very low | 148 Ų | 148 | 129.9 Ų | 129.9 | 79% | 0.791 | 69% | 0.694 | S | S | * | * | trans | -57.7 | 146 | 144.7 | -152.8 | 26.4 | 0 | 0 | 0 | 108 | ||||
| 1853 | P | 35.7 | Very low | 27.7 | Very low | 90 Ų | 90 | 136 Ų | 136 | 58% | 0.584 | 71% | 0.711 | S | S | * | * | cis | -150.4 | -169.1 | 32.3 | 42.9 | -20.4 | 0 | 0 | 0 | 117.3 | ||||
| 1854 | Q | 25.2 | Very low | 27.6 | Very low | 164 Ų | 164 | 136.2 Ų | 136.2 | 77% | 0.766 | 71% | 0.706 | S | S | * | * | trans | 37.4 | 117.3 | 140.2 | -76.5 | 179.5 | -15 | 0 | 0 | 121.4 | ||||
| 1855 | S | 27.1 | Very low | 27.7 | Very low | 90 Ų | 90 | 136.4 Ų | 136.4 | 63% | 0.629 | 71% | 0.711 | S | S | * | * | trans | 64.6 | 169.1 | 133 | 73.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1856 | L | 20.5 | Very low | 27.8 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 66% | 0.66 | 72% | 0.72 | S | S | * | * | cis | -135.6 | 151.4 | 39.2 | -68 | 112.5 | 0 | 0 | 0 | 111.5 | I1860 | L1856-I1860 HydrophobicContact CD2-CD1 4.08Š| ||
| 1857 | S | 33.1 | Very low | 28.1 | Very low | 79 Ų | 79 | 134.3 Ų | 134.3 | 55% | 0.552 | 71% | 0.71 | S | S | * | * | cis | 65.9 | 36.4 | 24.6 | 95.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1858 | N | 24.7 | Very low | 28.5 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 67% | 0.668 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -67 | 122 | 144.8 | -83.7 | -8.8 | 0 | 0 | 0 | 107.4 | ||
| 1859 | F | 34.8 | Very low | 28.7 | Very low | 173 Ų | 173 | 128.1 Ų | 128.1 | 76% | 0.759 | 70% | 0.701 | S | S | * | * | cis | -122.8 | 141 | -3.1 | -86.7 | -102.9 | 0 | 0 | 0 | 108.1 | ||||
| 1860 | I | 22.1 | Very low | 28.8 | Very low | 112 Ų | 112 | 127.6 Ų | 127.6 | 57% | 0.574 | 71% | 0.709 | S | S | * | * | 64.2 | 129.3 | 51.8 | -59.1 | 171.5 | 0 | 0 | 0 | 112 | L1856 | L1856-I1860 HydrophobicContact CD2-CD1 4.08Š| |||
| 1861 | G | 29.4 | Very low | 29 | Very low | 65 Ų | 65 | 123.3 Ų | 123.3 | 67% | 0.67 | 70% | 0.702 | S | S | * | * | trans | 93 | 32.9 | 154.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1862 | S | 37.6 | Very low | 28.5 | Very low | 121 Ų | 121 | 122.4 Ų | 122.4 | 85% | 0.846 | 71% | 0.705 | S | S | * | * | trans | -145.5 | 89.8 | 151.1 | -75.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 1863 | R | 29.6 | Very low | 28 | Very low | 221 Ų | 221 | 121.2 Ų | 121.2 | 83% | 0.834 | 70% | 0.703 | S | S | * | * | 62.7 | 115.3 | 76.1 | -84.3 | -163.4 | 168.5 | -148.5 | -0.7 | 114.8 | |||||
| 1864 | L | 28.3 | Very low | 27.6 | Very low | 130 Ų | 130 | 123.2 Ų | 123.2 | 68% | 0.681 | 71% | 0.708 | S | S | * | * | trans | 91.4 | 138.1 | 134.1 | -71.9 | 170 | 0 | 0 | 0 | 120 | ||||
| 1865 | T | 26.3 | Very low | 27.8 | Very low | 109 Ų | 109 | 123.7 Ų | 123.7 | 67% | 0.669 | 71% | 0.71 | S | S | * | * | trans | 64.5 | 114.8 | 156.1 | 47 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1866 | L | 26.3 | Very low | 27.7 | Very low | 154 Ų | 154 | 122.7 Ų | 122.7 | 81% | 0.806 | 70% | 0.701 | S | S | * | * | 56.4 | 102.8 | 70.2 | -68 | 160.9 | 0 | 0 | 0 | 110.5 | P1868 | L1866-P1868 WeakPolarHBondContact O-CD 3.28Š| |||
| 1867 | N | 32.3 | Very low | 27.9 | Very low | 121 Ų | 121 | 120.6 Ų | 120.6 | 65% | 0.647 | 70% | 0.697 | S | S | * | * | trans | -2.7 | 110.4 | 158 | -158.2 | 38 | 0 | 0 | 0 | 115.3 | N1869 | N1867-N1869 PolarHBondContact ND2-ND2 3.25Å; N1867-N1869 PolarHBondContact ND2-OD1 3.32Å; N1867-N1869 PolarHBondContact OD1-N 3.34Å; N1867-N1869 PolarHBondContact OD1-OD1 2.95Å | ||
| 1868 | P | 28.9 | Very low | 27.5 | Very low | 115 Ų | 115 | 121.8 Ų | 121.8 | 75% | 0.747 | 70% | 0.704 | S | S | * | * | -105.8 | 129.3 | 103.1 | -15.6 | 32 | 0 | 0 | 0 | 110.6 | L1866 | L1866-P1868 WeakPolarHBondContact O-CD 3.28Š| |||
| 1869 | N | 26.1 | Very low | 27.6 | Very low | 106 Ų | 106 | 125.1 Ų | 125.1 | 57% | 0.567 | 71% | 0.708 | S | S | * | * | 52.9 | 127.8 | 60.8 | -68.9 | -24.6 | 0 | 0 | 0 | 112.4 | N1867 | N1867-N1869 PolarHBondContact ND2-ND2 3.25Å; N1867-N1869 PolarHBondContact ND2-OD1 3.32Å; N1867-N1869 PolarHBondContact OD1-N 3.34Å; N1867-N1869 PolarHBondContact OD1-OD1 2.95Å | |||
| 1870 | T | 25 | Very low | 27.3 | Very low | 143 Ų | 143 | 119.8 Ų | 119.8 | 88% | 0.877 | 70% | 0.701 | S | S | * | * | trans | 60.7 | 175.4 | 161.9 | 23.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1871 | A | 26.3 | Very low | 27.6 | Very low | 81 Ų | 81 | 121.4 Ų | 121.4 | 67% | 0.669 | 71% | 0.709 | S | S | * | * | cis | -128.8 | 145.7 | -18.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1872 | A | 24.3 | Very low | 27.4 | Very low | 97 Ų | 97 | 123.7 Ų | 123.7 | 80% | 0.802 | 72% | 0.715 | S | S | * | * | trans | 63.2 | 173.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1873 | V | 24.5 | Very low | 27 | Very low | 124 Ų | 124 | 124 Ų | 124 | 75% | 0.752 | 71% | 0.706 | S | S | * | * | S | Bend | cis | -115.5 | 112 | 11.6 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1874 | L | 27.4 | Very low | 27.2 | Very low | 131 Ų | 131 | 119.9 Ų | 119.9 | 69% | 0.686 | 70% | 0.697 | S | S | * | * | trans | 63.7 | 116.4 | 161.9 | -54.1 | 168.4 | 0 | 0 | 0 | 114.7 | P1876 | L1874-P1876 HydrophobicContact CB-CG 3.88Å; L1874-P1876 HydrophobicContact CD1-CG 4.48Å | ||
| 1875 | H | 29.7 | Very low | 27.5 | Very low | 174 Ų | 174 | 119.6 Ų | 119.6 | 81% | 0.806 | 69% | 0.692 | S | S | * | * | -13.2 | 106.7 | 67.7 | -159.5 | -82.5 | 0 | 0 | 0 | 117.6 | |||||
| 1876 | P | 25 | Very low | 27.7 | Very low | 69 Ų | 69 | 121.2 Ų | 121.2 | 45% | 0.448 | 69% | 0.692 | S | S | . | * | trans | -137.1 | -154 | 135.2 | 36.4 | -16.6 | 0 | 0 | 0 | 108.8 | L1874 | L1874-P1876 HydrophobicContact CB-CG 3.88Å; L1874-P1876 HydrophobicContact CD1-CG 4.48Å | ||
| 1877 | S | 23.5 | Very low | 27.6 | Very low | 82 Ų | 82 | 120 Ų | 120 | 57% | 0.573 | 68% | 0.684 | S | S | * | * | trans | 52.1 | 93 | 152.6 | 55.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1878 | C | 26.2 | Very low | 27.3 | Very low | 105 Ų | 105 | 118.1 Ų | 118.1 | 71% | 0.709 | 68% | 0.677 | S | S | * | * | S | Bend | cis | 51.7 | 144.7 | 42.2 | -40.7 | 0 | 0 | 0 | 0 | 111.5 | G1880 | C1878-G1880 PolarHBondContact O-N 3.24Š|
| 1879 | R | 25 | Very low | 27 | Very low | 195 Ų | 195 | 118.1 Ų | 118.1 | 74% | 0.736 | 68% | 0.678 | S | S | * | * | S | Bend | 32.2 | 63.7 | 85.4 | -105.2 | -177.2 | 167.4 | -158.3 | -11.1 | 111.8 | Q1885 | R1879-Q1885 PolarHBondContact NH2-O 3.15Š| |
| 1880 | G | 28.9 | Very low | 27.5 | Very low | 61 Ų | 61 | 118.6 Ų | 118.6 | 63% | 0.629 | 69% | 0.687 | S | S | * | * | trans | -83.6 | -1.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | C1878 | C1878-G1880 PolarHBondContact O-N 3.24Š| ||
| 1881 | I | 28.1 | Very low | 27.4 | Very low | 145 Ų | 145 | 122.9 Ų | 122.9 | 74% | 0.744 | 69% | 0.689 | S | S | * | * | trans | 60.8 | 94.6 | 175.6 | -47.8 | 175.6 | 0 | 0 | 0 | 112.1 | ||||
| 1882 | S | 26.6 | Very low | 27.2 | Very low | 113 Ų | 113 | 128.3 Ų | 128.3 | 79% | 0.79 | 69% | 0.692 | S | S | * | * | S | Bend | -81.5 | 127.4 | 88.1 | -160.4 | 0 | 0 | 0 | 0 | 114.6 | |||
| 1883 | L | 28.9 | Very low | 27.1 | Very low | 127 Ų | 127 | 126.7 Ų | 126.7 | 67% | 0.665 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 47 | 99.5 | 160.3 | -56.4 | 172.3 | 0 | 0 | 0 | 119.3 | ||
| 1884 | Q | 33 | Very low | 27.2 | Very low | 136 Ų | 136 | 124.8 Ų | 124.8 | 64% | 0.636 | 66% | 0.664 | S | S | * | * | 73 | 137.4 | 129 | -71.4 | 168.9 | -73.9 | 0 | 0 | 122.8 | |||||
| 1885 | Q | 34.6 | Very low | 27.2 | Very low | 123 Ų | 123 | 125.8 Ų | 125.8 | 58% | 0.575 | 66% | 0.664 | S | S | * | * | trans | 85.3 | 120.5 | 140.2 | -74.6 | 158.6 | -12.9 | 0 | 0 | 122.5 | R1879 | R1879-Q1885 PolarHBondContact NH2-O 3.15Š| ||
| 1886 | Q | 30.6 | Very low | 27.1 | Very low | 144 Ų | 144 | 122.8 Ų | 122.8 | 67% | 0.673 | 65% | 0.653 | S | S | * | * | 69.9 | 110.3 | 126.3 | -73.1 | 168.8 | -33.7 | 0 | 0 | 123 | |||||
| 1887 | M | 25 | Very low | 27.1 | Very low | 129 Ų | 129 | 124.4 Ų | 124.4 | 64% | 0.635 | 67% | 0.666 | S | S | * | * | 68.5 | 118 | 104.7 | -73.6 | -174 | 161.7 | 0 | 0 | 124.8 | |||||
| 1888 | T | 25 | Very low | 27.3 | Very low | 81 Ų | 81 | 124 Ų | 124 | 50% | 0.497 | 68% | 0.675 | S | S | . | * | 64.1 | 124.6 | 123.8 | 67.1 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 1889 | C | 22.8 | Very low | 27.4 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 77% | 0.77 | 69% | 0.687 | S | S | * | * | 61 | 162 | 120 | -56.8 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1890 | P | 36.1 | Very low | 27.6 | Very low | 116 Ų | 116 | 122.9 Ų | 122.9 | 75% | 0.753 | 69% | 0.687 | S | S | * | * | trans | -125.2 | -159.3 | -160.9 | 40.6 | -22.2 | 0 | 0 | 0 | 115.2 | ||||
| 1891 | Y | 23.8 | Very low | 27.7 | Very low | 234 Ų | 234 | 123.5 Ų | 123.5 | 92% | 0.918 | 69% | 0.686 | S | S | * | * | trans | 86.2 | -179.7 | 174.2 | -97.1 | -92 | 0 | 0 | 0 | 118.2 | ||||
| 1892 | R | 22.3 | Very low | 27.8 | Very low | 195 Ų | 195 | 123.7 Ų | 123.7 | 74% | 0.736 | 68% | 0.679 | S | S | * | * | trans | -125.7 | 146 | -137 | -172.3 | -174.3 | 178.6 | -174.3 | 0.4 | 114.7 | ||||
| 1893 | S | 21.9 | Very low | 28.4 | Very low | 63 Ų | 63 | 122 Ų | 122 | 44% | 0.441 | 67% | 0.665 | S | S | . | * | trans | 83.5 | 107.3 | 158.2 | -132.2 | 0 | 0 | 0 | 0 | 120.1 | Q1926 H1927 | S1893-Q1926 PolarHBondContact O-NE2 3.39Å; S1893-H1927 PolarHBondContact O-NE2 2.81Å | ||
| 1894 | T | 26.8 | Very low | 28.5 | Very low | 84 Ų | 84 | 119.7 Ų | 119.7 | 52% | 0.515 | 66% | 0.657 | S | S | . | * | 52 | 106.2 | 126.8 | 59.9 | 0 | 0 | 0 | 0 | 122.9 | Q1926 | T1894-Q1926 PolarHBondContact O-OE1 2.8Š| |||
| 1895 | H | 28.2 | Very low | 28.9 | Very low | 151 Ų | 151 | 124.5 Ų | 124.5 | 70% | 0.699 | 67% | 0.672 | S | S | * | * | 75.1 | 133.3 | 125.5 | -84.8 | -87.6 | 0 | 0 | 0 | 124.5 | |||||
| 1896 | L | 27.1 | Very low | 29.1 | Very low | 111 Ų | 111 | 124.1 Ų | 124.1 | 58% | 0.581 | 67% | 0.67 | S | S | * | * | trans | 67.8 | 147.3 | 150.5 | -61.5 | 163 | 0 | 0 | 0 | 119.3 | N1337 | N1337-L1896 WeakPolarHBondContact O-CD1 3.32Š| ||
| 1897 | S | 25.5 | Very low | 29.3 | Very low | 103 Ų | 103 | 122.8 Ų | 122.8 | 72% | 0.72 | 66% | 0.663 | S | S | * | * | cis | -175.9 | 130.1 | -41.3 | 45.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1898 | G | 26.8 | Very low | 29.5 | Very low | 73 Ų | 73 | 124.4 Ų | 124.4 | 75% | 0.753 | 67% | 0.67 | S | S | * | * | trans | 96 | 150.3 | 151 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1899 | E | 28.3 | Very low | 29.8 | Very low | 206 Ų | 206 | 124.3 Ų | 124.3 | 96% | 0.963 | 68% | 0.677 | S | S | * | * | trans | 64.3 | 146.3 | 160.8 | -53.8 | -172.8 | 167.4 | 0 | 0 | 119.5 | ||||
| 1900 | G | 29.2 | Very low | 30.2 | Very low | 72 Ų | 72 | 125 Ų | 125 | 74% | 0.742 | 68% | 0.678 | S | S | * | * | cis | 164 | 111.3 | -12.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1901 | A | 30.6 | Very low | 29.8 | Very low | 73 Ų | 73 | 125 Ų | 125 | 60% | 0.603 | 68% | 0.675 | S | S | * | * | trans | 63.6 | 129.6 | 133.4 | 0 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 1902 | Y | 30.2 | Very low | 29.9 | Very low | 149 Ų | 149 | 122.8 Ų | 122.8 | 58% | 0.584 | 67% | 0.673 | S | S | * | * | trans | 66.5 | 165.4 | 140.8 | -43.1 | -26.6 | 0 | 0 | 0 | 121.1 | Q1906 Q1907 | Y1902-Q1906 HydrophobicContact CD1-CB 4.17Å; Y1902-Q1906 HydrophobicContact CD1-CG 4.04Å; Y1902-Q1906 HydrophobicContact CG-CG 4.32Å; Y1902-Q1907 VanDerWaalsContact N-OE1 3.16Å; Y1902-Q1907 PolarHBondContact O-NE2 2.94Å; Y1902-Q1907 VanDerWaalsContact O-NE2 3.1Å; Y1902-Q1907 PolarHBondContact O-OE1 3.2Å; Y1902-Q1907 VanDerWaalsContact O-OE1 3.11Å | ||
| 1903 | P | 39.7 | Very low | 30 | Very low | 79 Ų | 79 | 119 Ų | 119 | 51% | 0.513 | 68% | 0.677 | S | S | . | * | cis | -110.8 | 178.6 | -27.5 | 42.6 | -30.7 | 0 | 0 | 0 | 111 | Q1906 Q1907 | P1903-Q1906 HydrophobicContact CB-CG 4.11Å; P1903-Q1907 WeakPolarHBondContact O-CG 3.47Å; P1903-Q1907 PolarHBondContact O-NE2 3.3Å | ||
| 1904 | P | 31.7 | Very low | 30.2 | Very low | 77 Ų | 77 | 119.8 Ų | 119.8 | 50% | 0.5 | 70% | 0.695 | S | S | . | * | S | Bend | cis | -155.1 | 126.3 | 35.5 | 37.8 | -12.2 | 0 | 0 | 0 | 118.1 | ||
| 1905 | Y | 40.3 | Very low | 30.2 | Very low | 238 Ų | 238 | 124.2 Ų | 124.2 | 93% | 0.933 | 71% | 0.709 | S | S | * | * | S | Bend | cis | -115.3 | 62.6 | -10.6 | -46 | -104.6 | 0 | 0 | 0 | 108.6 | ||
| 1906 | Q | 39.3 | Very low | 29.9 | Very low | 115 Ų | 115 | 125.9 Ų | 125.9 | 54% | 0.537 | 72% | 0.715 | S | S | . | * | S | Bend | cis | -158.5 | 139.6 | 16.3 | -54.9 | 152.4 | -37.5 | 0 | 0 | 105.3 | Y1902 P1903 | Y1902-Q1906 HydrophobicContact CD1-CB 4.17Å; Y1902-Q1906 HydrophobicContact CD1-CG 4.04Å; Y1902-Q1906 HydrophobicContact CG-CG 4.32Å; P1903-Q1906 HydrophobicContact CB-CG 4.11Å |
| 1907 | Q | 34.2 | Very low | 29.8 | Very low | 115 Ų | 115 | 131 Ų | 131 | 54% | 0.537 | 73% | 0.726 | S | S | . | * | cis | -158 | 165.9 | 0.4 | 171.1 | 171.6 | 22 | 0 | 0 | 109.2 | Y1902 P1903 | Y1902-Q1907 VanDerWaalsContact N-OE1 3.16Å; Y1902-Q1907 PolarHBondContact O-NE2 2.94Å; Y1902-Q1907 VanDerWaalsContact O-NE2 3.1Å; Y1902-Q1907 PolarHBondContact O-OE1 3.2Å; Y1902-Q1907 VanDerWaalsContact O-OE1 3.11Å; P1903-Q1907 WeakPolarHBondContact O-CG 3.47Å; P1903-Q1907 PolarHBondContact O-NE2 3.3Å | ||
| 1908 | Q | 30.6 | Very low | 29.5 | Very low | 164 Ų | 164 | 132.7 Ų | 132.7 | 77% | 0.766 | 72% | 0.723 | S | S | * | * | trans | -86.2 | 175.7 | 175.1 | -66.4 | 168.9 | -18 | 0 | 0 | 112.5 | ||||
| 1909 | A | 30 | Very low | 29.3 | Very low | 78 Ų | 78 | 137.4 Ų | 137.4 | 65% | 0.645 | 73% | 0.726 | S | S | * | * | cis | -173.8 | 161.1 | -41.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1910 | T | 31.1 | Very low | 28.9 | Very low | 129 Ų | 129 | 133 Ų | 133 | 79% | 0.791 | 72% | 0.717 | S | S | * | * | trans | 63.5 | 118.4 | 147.3 | 48.4 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1911 | V | 29.1 | Very low | 29.1 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 70% | 0.703 | 72% | 0.718 | S | S | * | * | 101.7 | 131.6 | 111.8 | 164.2 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 1912 | Q | 25.8 | Very low | 28.6 | Very low | 187 Ų | 187 | 136.5 Ų | 136.5 | 87% | 0.874 | 72% | 0.723 | S | S | * | * | trans | 86.9 | 173.4 | 149.2 | -92.2 | 161.2 | 25.6 | 0 | 0 | 124.6 | ||||
| 1913 | S | 23 | Very low | 28.3 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | -132.8 | 159 | -152.3 | 51.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1914 | G | 27.5 | Very low | 27.6 | Very low | 79 Ų | 79 | 136.3 Ų | 136.3 | 81% | 0.814 | 72% | 0.721 | S | S | * | * | trans | -158.3 | 177.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1915 | H | 25.6 | Very low | 27.3 | Very low | 177 Ų | 177 | 137.9 Ų | 137.9 | 82% | 0.819 | 72% | 0.721 | S | S | * | * | trans | -131.1 | 156.6 | -163.3 | -103.1 | -41.6 | 0 | 0 | 0 | 114.7 | ||||
| 1916 | F | 22.6 | Very low | 26.5 | Very low | 186 Ų | 186 | 131.2 Ų | 131.2 | 82% | 0.816 | 70% | 0.699 | S | S | * | * | trans | 46.8 | 123 | 151.4 | -86.2 | -87.6 | 0 | 0 | 0 | 121.2 | ||||
| 1917 | R | 24.1 | Very low | 25.8 | Very low | 218 Ų | 218 | 130.7 Ų | 130.7 | 82% | 0.823 | 70% | 0.696 | S | S | * | * | 171.1 | 177.6 | 97.6 | -168.3 | 154.3 | -176.1 | -171.9 | -1.5 | 111.9 | |||||
| 1918 | E | 20.8 | Very low | 25.3 | Very low | 139 Ų | 139 | 130.2 Ų | 130.2 | 65% | 0.65 | 71% | 0.705 | S | S | * | * | trans | -75.9 | 170.9 | -171.8 | -51.6 | 153.6 | 101 | 0 | 0 | 116.1 | ||||
| 1919 | Q | 21.9 | Very low | 24.9 | Very low | 172 Ų | 172 | 128.3 Ų | 128.3 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | trans | 87 | 108.4 | 162.9 | -55.2 | -168.5 | 8.5 | 0 | 0 | 119.6 | ||||
| 1920 | S | 19.6 | Very low | 24.5 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 79% | 0.79 | 70% | 0.699 | S | S | * | * | trans | 69.6 | 178.1 | 148.1 | -47 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1921 | P | 33.3 | Very low | 24.2 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 77% | 0.766 | 70% | 0.704 | S | S | * | * | -127.3 | 171.3 | -99 | 34.5 | -15.4 | 0 | 0 | 0 | 117.3 | |||||
| 1922 | S | 20.9 | Very low | 23.9 | Very low | 101 Ų | 101 | 130.4 Ų | 130.4 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | trans | 74.7 | 118.5 | 158.3 | 30.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 1923 | Q | 24.1 | Very low | 23.9 | Very low | 133 Ų | 133 | 131.1 Ų | 131.1 | 62% | 0.621 | 69% | 0.693 | S | S | * | * | trans | 74.8 | 164.5 | 144.3 | -63.1 | -178 | -17.2 | 0 | 0 | 119 | ||||
| 1924 | Q | 23.9 | Very low | 24 | Very low | 91 Ų | 91 | 131.7 Ų | 131.7 | 43% | 0.425 | 69% | 0.687 | S | S | . | * | cis | -172.8 | 173.2 | -24.5 | -98.3 | 166.6 | -38.5 | 0 | 0 | 107.6 | Q1335 | Q1335-Q1924 VanDerWaalsContact CD-OE1 3.25Å; Q1335-Q1924 VanDerWaalsContact NE2-OE1 3.12Å; Q1335-Q1924 VanDerWaalsContact OE1-OE1 3.07Å | ||
| 1925 | H | 25.3 | Very low | 23.8 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 51% | 0.509 | 69% | 0.685 | S | S | . | * | cis | -157 | 118.6 | -10.4 | -125.5 | -69 | 0 | 0 | 0 | 110.3 | ||||
| 1926 | Q | 24.2 | Very low | 23.9 | Very low | 98 Ų | 98 | 132.7 Ų | 132.7 | 46% | 0.458 | 68% | 0.675 | S | S | . | * | trans | 53.9 | -179.4 | 152.1 | -64.5 | 174.3 | -59.5 | 0 | 0 | 119.4 | S1893 T1894 | S1893-Q1926 PolarHBondContact O-NE2 3.39Å; T1894-Q1926 PolarHBondContact O-OE1 2.8Å | ||
| 1927 | H | 25.3 | Very low | 24.1 | Very low | 104 Ų | 104 | 133.6 Ų | 133.6 | 48% | 0.481 | 67% | 0.674 | S | S | . | * | cis | -158 | 143 | 4.4 | -129.8 | -36 | 0 | 0 | 0 | 114.1 | S1893 | S1893-H1927 PolarHBondContact O-NE2 2.81Š| ||
| 1928 | S | 22.5 | Very low | 24.1 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 73% | 0.734 | 68% | 0.677 | S | S | * | * | trans | 56.8 | 166.3 | 156.2 | 68.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1929 | V | 23.3 | Very low | 24.3 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 75% | 0.745 | 69% | 0.686 | S | S | * | * | cis | -147.3 | 149.2 | 19.7 | 177.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1930 | S | 21.1 | Very low | 24.7 | Very low | 75 Ų | 75 | 131.8 Ų | 131.8 | 52% | 0.524 | 68% | 0.681 | S | S | . | * | trans | 15.4 | 144.4 | 162.7 | 80.9 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 1931 | F | 25 | Very low | 25.1 | Very low | 205 Ų | 205 | 132.1 Ų | 132.1 | 90% | 0.899 | 68% | 0.678 | S | S | * | * | -152.2 | 163.8 | 113.4 | -109.5 | -71.9 | 0 | 0 | 0 | 111 | |||||
| 1932 | N | 21.3 | Very low | 25 | Very low | 88 Ų | 88 | 133 Ų | 133 | 47% | 0.471 | 68% | 0.682 | S | S | . | * | trans | -143.1 | 125.2 | -176.5 | -162.2 | 88.9 | 0 | 0 | 0 | 110.6 | ||||
| 1933 | F | 27.6 | Very low | 25.4 | Very low | 202 Ų | 202 | 134.6 Ų | 134.6 | 89% | 0.886 | 68% | 0.682 | S | S | * | * | trans | -164.1 | 140.5 | 154.1 | -115.1 | -71.5 | 0 | 0 | 0 | 110.2 | ||||
| 1934 | D | 23.6 | Very low | 25.7 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 69% | 0.69 | 69% | 0.685 | S | S | * | * | trans | -74.2 | 169.6 | 175.7 | -49.3 | -87.4 | 0 | 0 | 0 | 110.4 | ||||
| 1935 | E | 24.9 | Very low | 25.9 | Very low | 163 Ų | 163 | 136.8 Ų | 136.8 | 76% | 0.762 | 70% | 0.704 | S | S | * | * | cis | -159.8 | 166.1 | 34.8 | -145.9 | -178.1 | -128.1 | 0 | 0 | 113.2 | ||||
| 1936 | N | 27.5 | Very low | 26.3 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 60% | 0.604 | 71% | 0.711 | S | S | * | * | trans | 74.1 | 98.6 | 157.5 | -60.8 | -40.3 | 0 | 0 | 0 | 123.2 | ||||
| 1937 | Y | 26.8 | Very low | 26.5 | Very low | 206 Ų | 206 | 140.1 Ų | 140.1 | 81% | 0.808 | 73% | 0.733 | S | S | * | * | 36.2 | 115 | 126 | -64.7 | -78.5 | 0 | 0 | 0 | 121.6 | |||||
| 1938 | L | 23.2 | Very low | 26.5 | Very low | 167 Ų | 167 | 138.9 Ų | 138.9 | 87% | 0.874 | 75% | 0.749 | S | S | * | * | -165.9 | 172.8 | 98.4 | -137 | 67.5 | 0 | 0 | 0 | 112.9 | |||||
| 1939 | Y | 26 | Very low | 26.8 | Very low | 217 Ų | 217 | 137.4 Ų | 137.4 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | trans | -77.8 | 147.2 | -175.6 | -82.4 | -107.2 | 0 | 0 | 0 | 114.1 | ||||
| 1940 | P | 30.5 | Very low | 26.8 | Very low | 106 Ų | 106 | 137 Ų | 137 | 69% | 0.688 | 75% | 0.753 | S | S | * | * | trans | -89 | 150.8 | 173 | 36.4 | -34.6 | 0 | 0 | 0 | 112.5 | ||||
| 1941 | T | 26.9 | Very low | 26.9 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | cis | -162.6 | 155 | -12.6 | 12.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1942 | V | 31.3 | Very low | 26.9 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 83% | 0.83 | 76% | 0.759 | S | S | * | * | 177.4 | 141.8 | 118.7 | 153.7 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 1943 | N | 29.9 | Very low | 26.9 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | -83.7 | 156.3 | -168.5 | -63.6 | -18.8 | 0 | 0 | 0 | 112.3 | ||||
| 1944 | T | 29.4 | Very low | 26.8 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | cis | -170.4 | 157.2 | -3.7 | 18 | 0 | 0 | 0 | 0 | 111 | ||||
| 1945 | L | 28.3 | Very low | 27.3 | Very low | 157 Ų | 157 | 135.7 Ų | 135.7 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | 77.1 | 152.4 | 147.9 | -75.8 | 168.4 | 0 | 0 | 0 | 118.4 | ||||
| 1946 | P | 33.3 | Very low | 27.3 | Very low | 101 Ų | 101 | 138.8 Ų | 138.8 | 66% | 0.656 | 77% | 0.771 | S | S | * | * | -138.2 | 175.1 | -107.4 | 43.7 | -28.2 | 0 | 0 | 0 | 117 | |||||
| 1947 | L | 28.8 | Very low | 27.2 | Very low | 176 Ų | 176 | 139.6 Ų | 139.6 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | trans | 165.5 | 134.5 | 130.7 | -91.1 | 159.7 | 0 | 0 | 0 | 114.2 | ||||
| 1948 | G | 26 | Very low | 27 | Very low | 78 Ų | 78 | 138.9 Ų | 138.9 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | 84.5 | 101.4 | 135.2 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1949 | G | 27.3 | Very low | 27.1 | Very low | 74 Ų | 74 | 142.9 Ų | 142.9 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | 99.1 | 112.8 | 124.8 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 1950 | S | 24.4 | Very low | 27.1 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | 11.2 | 147.5 | 126.1 | -58.3 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 1951 | M | 23.3 | Very low | 26.9 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 79% | 0.793 | 77% | 0.77 | S | S | * | * | cis | -170.5 | 167.2 | 7.3 | -109.8 | -79.4 | -171.2 | 0 | 0 | 111.3 | ||||
| 1952 | L | 24.8 | Very low | 26.9 | Very low | 143 Ų | 143 | 140.3 Ų | 140.3 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | trans | 62.8 | 101.3 | 151.3 | -73.3 | 166.1 | 0 | 0 | 0 | 123.9 | ||||
| 1953 | S | 22.3 | Very low | 26.6 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | 67.7 | 146.4 | 118.6 | 71.1 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 1954 | I | 25.3 | Very low | 26.5 | Very low | 162 Ų | 162 | 141.3 Ų | 141.3 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | trans | 99.6 | 138.6 | 163 | -59.9 | -179.8 | 0 | 0 | 0 | 116.6 | ||||
| 1955 | P | 34.2 | Very low | 26.4 | Very low | 109 Ų | 109 | 145.2 Ų | 145.2 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | trans | -132.3 | -179.6 | -147.5 | 44 | -27.4 | 0 | 0 | 0 | 118.9 | ||||
| 1956 | R | 24.2 | Very low | 26.4 | Very low | 229 Ų | 229 | 145 Ų | 145 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | trans | 72.3 | 144.7 | 174.5 | -64.8 | 179.3 | 173.9 | 169.3 | -2.1 | 114.8 | ||||
| 1957 | N | 24.8 | Very low | 26.1 | Very low | 129 Ų | 129 | 146.8 Ų | 146.8 | 69% | 0.69 | 77% | 0.771 | S | S | * | * | cis | -157.5 | 150.4 | 2.5 | -118.8 | -2.4 | 0 | 0 | 0 | 112.8 | ||||
| 1958 | Y | 23.2 | Very low | 26.5 | Very low | 192 Ų | 192 | 143.2 Ų | 143.2 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | trans | 43.6 | 117.1 | 150.5 | -92.1 | -98.4 | 0 | 0 | 0 | 124 | ||||
| 1959 | R | 26 | Very low | 26.5 | Very low | 250 Ų | 250 | 148 Ų | 148 | 94% | 0.943 | 76% | 0.76 | S | S | * | * | -160.6 | 176.9 | 120.9 | -120.4 | -177.3 | 179.8 | -167.6 | 0.1 | 112.7 | |||||
| 1960 | Q | 25.6 | Very low | 26.4 | Very low | 154 Ų | 154 | 155.9 Ų | 155.9 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | trans | -129.1 | 160.9 | -153.2 | -63.5 | 161.9 | -77.9 | 0 | 0 | 116.7 | ||||
| 1961 | S | 25.6 | Very low | 26.4 | Very low | 100 Ų | 100 | 158 Ų | 158 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | trans | 74.8 | 127.4 | 139.4 | 65.5 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1962 | V | 27.2 | Very low | 26.5 | Very low | 136 Ų | 136 | 157.5 Ų | 157.5 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | trans | 173.3 | 111.5 | 130.7 | 152.7 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 1963 | I | 24.7 | Very low | 26.5 | Very low | 127 Ų | 127 | 157 Ų | 157 | 65% | 0.651 | 78% | 0.777 | S | S | * | * | cis | 80.6 | 99.7 | 46.2 | -55 | 171.5 | 0 | 0 | 0 | 114 | ||||
| 1964 | Q | 27.6 | Very low | 26.7 | Very low | 164 Ų | 164 | 161.5 Ų | 161.5 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | -178.4 | 118.1 | 120.4 | -91.2 | -168.8 | 46.4 | 0 | 0 | 109.2 | |||||
| 1965 | R | 27.4 | Very low | 26.7 | Very low | 197 Ų | 197 | 160 Ų | 160 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | 72.2 | 138.3 | 90.6 | -69.2 | -179.6 | 179.3 | 174.1 | -2.7 | 113.1 | |||||
| 1966 | I | 29.3 | Very low | 26.3 | Very low | 151 Ų | 151 | 160.3 Ų | 160.3 | 77% | 0.774 | 79% | 0.786 | S | S | * | * | cis | -142.3 | 141 | 32.2 | -71.2 | 172.9 | 0 | 0 | 0 | 108.1 | ||||
| 1967 | I | 25.7 | Very low | 26.4 | Very low | 139 Ų | 139 | 158.3 Ų | 158.3 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | cis | 71.3 | 100.8 | 2.7 | -46.4 | 173.6 | 0 | 0 | 0 | 115.2 | ||||
| 1968 | P | 37.4 | Very low | 26.5 | Very low | 101 Ų | 101 | 157 Ų | 157 | 66% | 0.656 | 78% | 0.777 | S | S | * | * | -159.3 | 152.9 | 78.9 | 40.6 | -20.2 | 0 | 0 | 0 | 120.2 | |||||
| 1969 | Q | 26.8 | Very low | 26.7 | Very low | 179 Ų | 179 | 153.2 Ų | 153.2 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | S | Bend | 163.5 | 81.4 | 109.6 | -84.2 | -152.6 | 53.3 | 0 | 0 | 113.7 | |||
| 1970 | Y | 24.4 | Very low | 26.8 | Very low | 240 Ų | 240 | 147 Ų | 147 | 94% | 0.941 | 77% | 0.767 | S | S | * | * | trans | -153.6 | 129.5 | 142.7 | -92.9 | -71.2 | 0 | 0 | 0 | 106.6 | ||||
| 1971 | L | 24.1 | Very low | 26.8 | Very low | 160 Ų | 160 | 149.6 Ų | 149.6 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | trans | -155.4 | 156.6 | -173.6 | -108.7 | 171.6 | 0 | 0 | 0 | 111.8 | ||||
| 1972 | N | 26.5 | Very low | 26.8 | Very low | 151 Ų | 151 | 151.5 Ų | 151.5 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | trans | 71.2 | 71.5 | 173.3 | -61 | -14 | 0 | 0 | 0 | 118 | ||||
| 1973 | C | 24.4 | Very low | 26.7 | Very low | 133 Ų | 133 | 151.3 Ų | 151.3 | 90% | 0.899 | 76% | 0.763 | S | S | * | * | trans | -109.1 | 135 | 146 | -72.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1974 | K | 26.1 | Very low | 26.8 | Very low | 189 Ų | 189 | 150.2 Ų | 150.2 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -98.8 | 132.8 | 165.7 | -72.2 | -177.9 | 178 | -179.9 | 0 | 108.8 | T1976 | K1974-T1976 PolarHBondContact O-N 2.81Å; K1974-T1976 VanDerWaalsContact O-N 3.1Å | ||
| 1975 | P | 25.8 | Very low | 26.8 | Very low | 131 Ų | 131 | 151 Ų | 151 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | -86.3 | 73 | -178.5 | 34.4 | -35.1 | 0 | 0 | 0 | 112.4 | ||||
| 1976 | T | 24.6 | Very low | 26.7 | Very low | 115 Ų | 115 | 145.6 Ų | 145.6 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | -151.5 | 88 | 177.3 | 54.7 | 0 | 0 | 0 | 0 | 114.6 | K1974 | K1974-T1976 PolarHBondContact O-N 2.81Å; K1974-T1976 VanDerWaalsContact O-N 3.1Å | ||
| 1977 | R | 26.7 | Very low | 26.4 | Very low | 186 Ų | 186 | 145.9 Ų | 145.9 | 70% | 0.702 | 78% | 0.781 | S | S | * | * | trans | -171.8 | 164.2 | 141.8 | -110.1 | -153.6 | 152.9 | -156.4 | -14 | 111.7 | E1982 | R1977-E1982 IonicContact CZ-OE2 2.83Å; R1977-E1982 IonicContact NH1-OE2 3.39Å; R1977-E1982 PolarHBondContact NH1-OE2 2.88Å; R1977-E1982 IonicContact NH2-OE1 2.8Å; R1977-E1982 IonicContact NH2-OE2 3.84Å; R1977-E1982 PolarHBondContact NH2-OE2 3.11Å | ||
| 1978 | P | 27.5 | Very low | 26.4 | Very low | 102 Ų | 102 | 145.4 Ų | 145.4 | 66% | 0.662 | 77% | 0.774 | S | S | * | * | trans | -99 | -164.3 | -170.2 | 46.8 | -41.6 | 0 | 0 | 0 | 111.4 | ||||
| 1979 | P | 28.1 | Very low | 25.9 | Very low | 113 Ų | 113 | 150.8 Ų | 150.8 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -74.4 | 164.2 | -165.9 | 32.2 | -33.4 | 0 | 0 | 0 | 114.1 | Y1981 | P1979-Y1981 PolarHBondContact O-N 3.01Å; P1979-Y1981 VanDerWaalsContact O-N 3.14Å | ||
| 1980 | P | 27.7 | Very low | 26.2 | Very low | 119 Ų | 119 | 147.1 Ų | 147.1 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -86.6 | 88.5 | -162.4 | 33.8 | -36.3 | 0 | 0 | 0 | 114 | ||
| 1981 | Y | 25.3 | Very low | 26.1 | Very low | 209 Ų | 209 | 144.3 Ų | 144.3 | 82% | 0.82 | 77% | 0.77 | S | S | * | * | trans | -145.2 | 44.2 | 171.2 | -129.3 | -83.2 | 0 | 0 | 0 | 114.3 | P1979 | P1979-Y1981 PolarHBondContact O-N 3.01Å; P1979-Y1981 VanDerWaalsContact O-N 3.14Å | ||
| 1982 | E | 25.6 | Very low | 26.1 | Very low | 139 Ų | 139 | 143.8 Ų | 143.8 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -147.8 | 7.7 | -174.9 | -146.3 | -167.5 | -139.1 | 0 | 0 | 116.7 | R1977 | R1977-E1982 IonicContact CZ-OE2 2.83Å; R1977-E1982 IonicContact NH1-OE2 3.39Å; R1977-E1982 PolarHBondContact NH1-OE2 2.88Å; R1977-E1982 IonicContact NH2-OE1 2.8Å; R1977-E1982 IonicContact NH2-OE2 3.84Å; R1977-E1982 PolarHBondContact NH2-OE2 3.11Å |
| 1983 | I | 25.7 | Very low | 26.1 | Very low | 133 Ų | 133 | 142.6 Ų | 142.6 | 68% | 0.682 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -117.9 | -7 | -170.6 | -62.3 | -178.4 | 0 | 0 | 0 | 114 | ||
| 1984 | A | 26.6 | Very low | 26.2 | Very low | 104 Ų | 104 | 143.8 Ų | 143.8 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -18.3 | -178 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1985 | L | 26.7 | Very low | 26.2 | Very low | 180 Ų | 180 | 139.6 Ų | 139.6 | 94% | 0.942 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -1 | -172.5 | -85.9 | 164.9 | 0 | 0 | 0 | 115.4 | ||
| 1986 | A | 25.5 | Very low | 26.3 | Very low | 84 Ų | 84 | 142.1 Ų | 142.1 | 69% | 0.694 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -104.1 | -4.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1987 | L | 24.1 | Very low | 26.3 | Very low | 156 Ų | 156 | 148 Ų | 148 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | trans | -136.9 | 56.6 | -171.1 | -72.9 | 176.4 | 0 | 0 | 0 | 114.3 | ||||
| 1988 | K | 25.6 | Very low | 26.4 | Very low | 129 Ų | 129 | 143.5 Ų | 143.5 | 56% | 0.561 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -137.7 | 61.3 | 163.5 | -148.4 | 175.8 | -167.2 | -167.6 | 0 | 115.2 | N1110 | N1110-K1988 WeakPolarHBondContact OD1-CE 3.33Å; N1110-K1988 PolarHBondContact OD1-NZ 3.35Å |
| 1989 | Y | 25.7 | Very low | 26.4 | Very low | 214 Ų | 214 | 145.5 Ų | 145.5 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | trans | 70.5 | 166.8 | 156.3 | -63.3 | -76.4 | 0 | 0 | 0 | 118.6 | ||||
| 1990 | P | 32.7 | Very low | 26.4 | Very low | 102 Ų | 102 | 147.9 Ų | 147.9 | 66% | 0.662 | 77% | 0.773 | S | S | * | * | cis | -125.6 | 157.4 | -20.2 | 21.8 | -0.9 | 0 | 0 | 0 | 114.1 | ||||
| 1991 | Q | 23.9 | Very low | 26.3 | Very low | 181 Ų | 181 | 147.8 Ų | 147.8 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -130.2 | 96.4 | 151.6 | -84.4 | -63.3 | -18 | 0 | 0 | 109.7 | ||||
| 1992 | N | 23.9 | Very low | 26.5 | Very low | 150 Ų | 150 | 143.4 Ų | 143.4 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | trans | -148.7 | 65.3 | 172.3 | -164.9 | 12.6 | 0 | 0 | 0 | 110.1 | ||||
| 1993 | V | 25.9 | Very low | 26.5 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 76% | 0.758 | 75% | 0.754 | S | S | * | * | trans | -125.4 | 93.8 | 178 | -173.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1994 | N | 26.4 | Very low | 26.8 | Very low | 159 Ų | 159 | 142.6 Ų | 142.6 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | trans | -124.7 | 71.4 | 177 | -134.7 | -9.3 | 0 | 0 | 0 | 110.3 | ||||
| 1995 | S | 26.7 | Very low | 26.7 | Very low | 101 Ų | 101 | 143.1 Ų | 143.1 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | trans | -174.4 | 139.4 | 153.7 | -89.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1996 | Q | 27.8 | Very low | 26.9 | Very low | 183 Ų | 183 | 142 Ų | 142 | 86% | 0.855 | 74% | 0.736 | S | S | * | * | trans | 61 | 102.6 | 169.9 | -54.4 | -174.2 | 16.8 | 0 | 0 | 115.8 | ||||
| 1997 | R | 24.6 | Very low | 27 | Very low | 240 Ų | 240 | 147 Ų | 147 | 91% | 0.906 | 74% | 0.737 | S | S | * | * | 78.1 | 79.1 | 54 | -66.4 | -174 | 168.2 | 179.7 | -2.2 | 116.2 | |||||
| 1998 | A | 28 | Very low | 27.1 | Very low | 90 Ų | 90 | 146.1 Ų | 146.1 | 74% | 0.744 | 73% | 0.728 | S | S | * | * | -141.9 | 126.2 | 119.2 | 0 | 0 | 0 | 0 | 0 | 106.2 | |||||
| 1999 | L | 27.7 | Very low | 27.2 | Very low | 144 Ų | 144 | 146.9 Ų | 146.9 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | 57.2 | 120 | 61.9 | -59.9 | 175.9 | 0 | 0 | 0 | 111.6 | |||||
| 2000 | K | 27.8 | Very low | 27.2 | Very low | 164 Ų | 164 | 143.2 Ų | 143.2 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | cis | -172 | 146.2 | -6.3 | -139.1 | -169.9 | -176.6 | -176.1 | 0 | 108.5 | ||||
| 2001 | N | 26.1 | Very low | 26.9 | Very low | 117 Ų | 117 | 144.1 Ų | 144.1 | 63% | 0.626 | 73% | 0.728 | S | S | * | * | trans | 56.5 | 158.2 | 147.8 | -78.8 | 40.9 | 0 | 0 | 0 | 119.5 | ||||
| 2002 | D | 28.5 | Very low | 27 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 63% | 0.626 | 73% | 0.726 | S | S | * | * | cis | -130.1 | 134.7 | -3.6 | -97.6 | -50.5 | 0 | 0 | 0 | 108.5 | ||||
| 2003 | T | 26.5 | Very low | 27.3 | Very low | 97 Ų | 97 | 142.2 Ų | 142.2 | 60% | 0.595 | 72% | 0.724 | S | S | * | * | 46.1 | 115.4 | 83.9 | 89.5 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 2004 | I | 31.3 | Very low | 27.5 | Very low | 158 Ų | 158 | 141 Ų | 141 | 81% | 0.81 | 72% | 0.72 | S | S | * | * | 170 | 144.5 | 117 | -88.3 | 155.7 | 0 | 0 | 0 | 109.2 | |||||
| 2005 | N | 25.8 | Very low | 27.6 | Very low | 114 Ų | 114 | 139.8 Ų | 139.8 | 61% | 0.61 | 71% | 0.714 | S | S | * | * | cis | 165.8 | 158.6 | -26.4 | -135.3 | -52 | 0 | 0 | 0 | 106.4 | ||||
| 2006 | K | 30.7 | Very low | 27.7 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 69% | 0.687 | 71% | 0.712 | S | S | * | * | trans | 71 | 157.8 | 161.4 | -61.3 | 154.4 | -175.1 | 173.8 | 0 | 116 | ||||
| 2007 | R | 26.9 | Very low | 27.8 | Very low | 188 Ų | 188 | 137.5 Ų | 137.5 | 71% | 0.709 | 70% | 0.7 | S | S | * | * | cis | -136.3 | 149.4 | 15 | -125.2 | 122.3 | -174.4 | -165.6 | -4.4 | 110.7 | ||||
| 2008 | H | 27.3 | Very low | 28 | Very low | 138 Ų | 138 | 128.4 Ų | 128.4 | 64% | 0.639 | 67% | 0.669 | S | S | * | * | 51.1 | 174 | 95.3 | -54.6 | -31.4 | 0 | 0 | 0 | 115.1 | |||||
| 2009 | E | 27.9 | Very low | 27.9 | Very low | 144 Ų | 144 | 127.6 Ų | 127.6 | 67% | 0.673 | 65% | 0.652 | S | S | * | * | cis | -129.1 | 138.6 | -9.5 | -87.6 | 82.5 | -164.2 | 0 | 0 | 105.7 | ||||
| 2010 | N | 24.6 | Very low | 27.8 | Very low | 137 Ų | 137 | 125.4 Ų | 125.4 | 73% | 0.733 | 64% | 0.635 | S | S | * | * | cis | 88.3 | 131.5 | 19 | -138.9 | 100.4 | 0 | 0 | 0 | 116 | ||||
| 2011 | D | 25.8 | Very low | 27.7 | Very low | 122 Ų | 122 | 124.8 Ų | 124.8 | 65% | 0.652 | 63% | 0.634 | S | S | * | * | trans | 121.3 | 154.1 | 155.5 | -64 | -18.2 | 0 | 0 | 0 | 120.3 | ||||
| 2012 | N | 26.3 | Very low | 27.6 | Very low | 150 Ų | 150 | 125.3 Ų | 125.3 | 80% | 0.802 | 64% | 0.642 | S | S | * | * | trans | 82.1 | 153.5 | 162.9 | -46.3 | -69.9 | 0 | 0 | 0 | 117.7 | ||||
| 2013 | N | 30.1 | Very low | 27.4 | Very low | 141 Ų | 141 | 123.5 Ų | 123.5 | 75% | 0.754 | 64% | 0.643 | S | S | * | * | cis | -157.7 | 148.5 | 6.4 | -152.9 | -14.8 | 0 | 0 | 0 | 114.8 | ||||
| 2014 | S | 29.9 | Very low | 27.3 | Very low | 98 Ų | 98 | 123.5 Ų | 123.5 | 69% | 0.685 | 65% | 0.647 | S | S | * | * | trans | 63.2 | 156.4 | 162.8 | 97.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 2015 | N | 30.2 | Very low | 27.1 | Very low | 134 Ų | 134 | 118.9 Ų | 118.9 | 72% | 0.717 | 62% | 0.624 | S | S | * | * | cis | -157.5 | 154.4 | 1.9 | -134 | -21.4 | 0 | 0 | 0 | 112.9 | ||||
| 2016 | N | 28.8 | Very low | 27 | Very low | 125 Ų | 125 | 118.6 Ų | 118.6 | 67% | 0.668 | 62% | 0.622 | S | S | * | * | trans | 60.8 | 98.3 | 160 | -74.6 | -33.9 | 0 | 0 | 0 | 123 | ||||
| 2017 | N | 28.1 | Very low | 26.8 | Very low | 111 Ų | 111 | 115.2 Ų | 115.2 | 59% | 0.594 | 62% | 0.618 | S | S | * | * | trans | 69.6 | 167.6 | 144.6 | -55.9 | -66.9 | 0 | 0 | 0 | 118.8 | ||||
| 2018 | N | 28.7 | Very low | 26.8 | Very low | 49 Ų | 49 | 112.4 Ų | 112.4 | 26% | 0.262 | 63% | 0.627 | S | S | . | * | cis | -166.9 | 179 | -32.1 | -96.7 | -33.8 | 0 | 0 | 0 | 108.7 | L2130 M2132 | N2018-L2130 WeakPolarHBondContact O-CB 3.45Å; N2018-L2130 WeakPolarHBondContact O-CD2 3.18Å; N2018-L2130 WeakPolarHBondContact O-CG 3.33Å; N2018-M2132 WeakPolarHBondContact ND2-CE 3.4Å | ||
| 2019 | N | 26.8 | Very low | 26.7 | Very low | 73 Ų | 73 | 108.9 Ų | 108.9 | 39% | 0.39 | 63% | 0.628 | S | S | . | * | cis | 166.2 | 154.8 | -43.1 | -163.2 | -7.7 | 0 | 0 | 0 | 109.4 | L2130 S2131 | N2019-L2130 CarbonylContact O-C 3.59Å; N2019-S2131 CarbonylContact O-C 3.52Å; N2019-S2131 VanDerWaalsContact O-CA 3.3Å; N2019-S2131 WeakPolarHBondContact O-CA 3.4Å; N2019-S2131 PolarHBondContact O-N 3.1Å | ||
| 2020 | Y | 25.6 | Very low | 26.6 | Very low | 99 Ų | 99 | 109.8 Ų | 109.8 | 39% | 0.388 | 64% | 0.636 | S | S | . | * | trans | 66.8 | 150.1 | 175.8 | -56.6 | -74.7 | 0 | 0 | 0 | 119 | S2133 | Y2020-S2133 WeakPolarHBondContact CE2-OG 3.1Å; Y2020-S2133 WeakPolarHBondContact OH-CA 3.34Å; Y2020-S2133 PolarHBondContact OH-OG 3.06Å | ||
| 2021 | H | 26.1 | Very low | 26.6 | Very low | 150 Ų | 150 | 111.8 Ų | 111.8 | 69% | 0.694 | 64% | 0.638 | S | S | * | * | cis | -170.3 | 143 | -33.6 | -130.9 | 5.6 | 0 | 0 | 0 | 110.3 | ||||
| 2022 | T | 22.9 | Very low | 26.4 | Very low | 129 Ų | 129 | 113.7 Ų | 113.7 | 79% | 0.791 | 65% | 0.647 | S | S | * | * | trans | 56.3 | 164 | 154.5 | 56.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 2023 | A | 24.2 | Very low | 26.4 | Very low | 79 Ų | 79 | 109.7 Ų | 109.7 | 65% | 0.653 | 64% | 0.642 | S | S | * | * | cis | -167.2 | 156.3 | -37.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 2024 | S | 25.5 | Very low | 26.3 | Very low | 96 Ų | 96 | 109.3 Ų | 109.3 | 67% | 0.671 | 65% | 0.645 | S | S | * | * | trans | 57.1 | 109.3 | 148.5 | 54.3 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 2025 | N | 26.3 | Very low | 26 | Very low | 62 Ų | 62 | 109.8 Ų | 109.8 | 33% | 0.332 | 64% | 0.643 | S | S | . | * | 90.8 | 108.6 | 114.6 | -63.6 | -29.6 | 0 | 0 | 0 | 126.2 | P2121 | N2025-P2121 VanDerWaalsContact CG-CG 3.43Å; N2025-P2121 VanDerWaalsContact ND2-CG 3.25Å; N2025-P2121 WeakPolarHBondContact ND2-CG 3.44Å; N2025-P2121 WeakPolarHBondContact OD1-CG 3.08Å | |||
| 2026 | L | 24.9 | Very low | 25.9 | Very low | 108 Ų | 108 | 111 Ų | 111 | 57% | 0.565 | 65% | 0.645 | S | S | * | * | 80.7 | 119 | 122.3 | -89.6 | 161.6 | 0 | 0 | 0 | 123.2 | R2120 | L2026-R2120 VanDerWaalsContact CB-NH2 3.34Å; L2026-R2120 HydrophobicContact CD1-CG 4.01Å | |||
| 2027 | S | 26.3 | Very low | 25.8 | Very low | 86 Ų | 86 | 109.8 Ų | 109.8 | 60% | 0.601 | 64% | 0.642 | S | S | * | * | trans | 73 | 128.2 | 133.8 | 62.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 2028 | S | 26.2 | Very low | 25.7 | Very low | 129 Ų | 129 | 112.4 Ų | 112.4 | 90% | 0.902 | 65% | 0.65 | S | S | * | * | trans | 63.7 | 147.9 | 170.8 | 71.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 2029 | G | 25 | Very low | 25.5 | Very low | 64 Ų | 64 | 115.2 Ų | 115.2 | 66% | 0.66 | 67% | 0.669 | S | S | * | * | cis | 163.4 | 173.4 | -5.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 2030 | I | 25.5 | Very low | 25.7 | Very low | 163 Ų | 163 | 120.3 Ų | 120.3 | 84% | 0.836 | 69% | 0.691 | S | S | * | * | trans | 70.8 | 98 | 162.6 | -56.7 | 179.4 | 0 | 0 | 0 | 117.5 | ||||
| 2031 | K | 25 | Very low | 25.7 | Very low | 180 Ų | 180 | 121.7 Ų | 121.7 | 78% | 0.783 | 70% | 0.704 | S | S | * | * | 58.7 | 127.9 | 128.7 | -71 | -179.4 | 169 | -178.7 | 0 | 123.6 | |||||
| 2032 | L | 22.9 | Very low | 26.3 | Very low | 161 Ų | 161 | 119.6 Ų | 119.6 | 84% | 0.843 | 70% | 0.704 | S | S | * | * | 73 | 126.6 | 126.7 | -67.3 | 169.7 | 0 | 0 | 0 | 122.3 | |||||
| 2033 | G | 25.3 | Very low | 26.7 | Very low | 67 Ų | 67 | 122.3 Ų | 122.3 | 69% | 0.691 | 71% | 0.705 | S | S | * | * | trans | 98.3 | 153.5 | 137.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 2034 | T | 27.3 | Very low | 26.7 | Very low | 133 Ų | 133 | 122.1 Ų | 122.1 | 82% | 0.816 | 70% | 0.699 | S | S | * | * | cis | -158.7 | 130.6 | -10.6 | -22.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 2035 | V | 24.4 | Very low | 26.9 | Very low | 108 Ų | 108 | 123.3 Ų | 123.3 | 66% | 0.655 | 70% | 0.698 | S | S | * | * | trans | 36 | 121.8 | 139.2 | 178.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 2036 | H | 28.5 | Very low | 27.1 | Very low | 160 Ų | 160 | 128 Ų | 128 | 74% | 0.741 | 72% | 0.715 | S | S | * | * | -175.4 | 120.6 | 112.1 | -100.4 | -60 | 0 | 0 | 0 | 110.1 | |||||
| 2037 | T | 25.5 | Very low | 27.2 | Very low | 99 Ų | 99 | 130.5 Ų | 130.5 | 61% | 0.607 | 72% | 0.724 | S | S | * | * | 59.3 | 151.8 | 93.4 | 68 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 2038 | Q | 27.2 | Very low | 27 | Very low | 165 Ų | 165 | 132.3 Ų | 132.3 | 77% | 0.771 | 73% | 0.726 | S | S | * | * | cis | -143.7 | 137.9 | 17.8 | -118.3 | 143.1 | 31 | 0 | 0 | 108.8 | ||||
| 2039 | V | 24.6 | Very low | 26.9 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 66% | 0.655 | 72% | 0.72 | S | S | * | * | 69.8 | 118.4 | 82.8 | 178.2 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 2040 | Q | 30.3 | Very low | 26.7 | Very low | 181 Ų | 181 | 136.7 Ų | 136.7 | 85% | 0.846 | 72% | 0.721 | S | S | * | * | -174.5 | 109.7 | 124.1 | -96.3 | 171.1 | 33.5 | 0 | 0 | 107.4 | |||||
| 2041 | N | 26.6 | Very low | 26.6 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 68% | 0.679 | 71% | 0.714 | S | S | * | * | 64.2 | 150.6 | 73.5 | -86.7 | -4.3 | 0 | 0 | 0 | 114.7 | |||||
| 2042 | P | 38.5 | Very low | 26.7 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 69% | 0.688 | 71% | 0.713 | S | S | * | * | cis | -128.7 | -174.8 | 17 | 45.6 | -30.9 | 0 | 0 | 0 | 113.6 | ||||
| 2043 | K | 30.6 | Very low | 26.8 | Very low | 186 Ų | 186 | 132.8 Ų | 132.8 | 81% | 0.809 | 70% | 0.702 | S | S | * | * | cis | -131.4 | 132.8 | 0.7 | -60 | 166 | -175.5 | 175.3 | 0 | 106 | ||||
| 2044 | S | 24.7 | Very low | 26.7 | Very low | 76 Ų | 76 | 136 Ų | 136 | 53% | 0.531 | 70% | 0.703 | S | S | . | * | cis | 80.2 | 139.6 | 41.7 | 88.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 2045 | D | 29.8 | Very low | 26.5 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 64% | 0.642 | 69% | 0.69 | S | S | * | * | trans | 90.6 | 136.8 | 172 | -58.8 | 13.4 | 0 | 0 | 0 | 116.9 | ||||
| 2046 | K | 30.6 | Very low | 26.6 | Very low | 160 Ų | 160 | 133.6 Ų | 133.6 | 70% | 0.696 | 69% | 0.688 | S | S | * | * | cis | -148.1 | 124.4 | -15.1 | -105.9 | 150.7 | -174.5 | 147.6 | 0 | 106.1 | ||||
| 2047 | Q | 25.9 | Very low | 26.7 | Very low | 161 Ų | 161 | 133.2 Ų | 133.2 | 75% | 0.752 | 68% | 0.684 | S | S | * | * | 65.9 | 133 | 81.9 | -89 | -160.6 | -11.2 | 0 | 0 | 116 | |||||
| 2048 | L | 22.4 | Very low | 26.9 | Very low | 125 Ų | 125 | 135 Ų | 135 | 65% | 0.654 | 69% | 0.689 | S | S | * | * | trans | 84.5 | 119.8 | 137.6 | -99.2 | 57.7 | 0 | 0 | 0 | 122.8 | ||||
| 2049 | F | 23.2 | Very low | 27.1 | Very low | 174 Ų | 174 | 131.7 Ų | 131.7 | 76% | 0.763 | 69% | 0.685 | S | S | * | * | 85.9 | 147.8 | 124.1 | -98.7 | -41.2 | 0 | 0 | 0 | 122.9 | |||||
| 2050 | T | 22.2 | Very low | 27.3 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 68% | 0.681 | 69% | 0.689 | S | S | * | * | trans | 63.2 | 113.6 | 156.6 | 42.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 2051 | V | 22.7 | Very low | 27.1 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 69% | 0.685 | 69% | 0.685 | S | S | * | * | 54.5 | 93.7 | 78.6 | -178.6 | 0 | 0 | 0 | 0 | 110.5 | Q2053 | V2051-Q2053 HydrophobicContact CG1-CG 4.41Š| |||
| 2052 | K | 27.8 | Very low | 27.7 | Very low | 177 Ų | 177 | 131.3 Ų | 131.3 | 77% | 0.77 | 69% | 0.686 | S | S | * | * | -125.3 | 143.5 | 94.6 | -80.8 | -148.5 | 168.6 | 180 | 0 | 109.1 | |||||
| 2053 | Q | 24 | Very low | 27.4 | Very low | 132 Ų | 132 | 132.8 Ų | 132.8 | 62% | 0.617 | 69% | 0.686 | S | S | * | * | 58.8 | 130.9 | 61.8 | -81.7 | -177.2 | -16.1 | 0 | 0 | 110.4 | V2051 | V2051-Q2053 HydrophobicContact CG1-CG 4.41Š| |||
| 2054 | L | 23.9 | Very low | 27.3 | Very low | 134 Ų | 134 | 129.6 Ų | 129.6 | 70% | 0.702 | 68% | 0.678 | S | S | * | * | cis | -133.1 | 168.1 | 5.4 | -90.3 | 128.4 | 0 | 0 | 0 | 109.1 | ||||
| 2055 | S | 23.2 | Very low | 27.5 | Very low | 78 Ų | 78 | 136 Ų | 136 | 55% | 0.545 | 69% | 0.692 | S | S | . | * | 28.4 | 115.9 | 91.1 | 112.8 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 2056 | D | 26.3 | Very low | 27.4 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 60% | 0.604 | 69% | 0.691 | S | S | * | * | 175.5 | 162.4 | 80.1 | -89.3 | -22.8 | 0 | 0 | 0 | 107.6 | |||||
| 2057 | K | 31 | Very low | 27.2 | Very low | 151 Ų | 151 | 130.8 Ų | 130.8 | 66% | 0.657 | 69% | 0.69 | S | S | * | * | cis | -156.9 | 172.1 | -1.3 | -116.7 | 154.6 | -169.1 | 143.2 | 0 | 107.6 | ||||
| 2058 | N | 29.6 | Very low | 27.2 | Very low | 136 Ų | 136 | 133.3 Ų | 133.3 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | trans | 31.4 | 136.3 | 140.3 | -52.4 | -4.4 | 0 | 0 | 0 | 118.6 | ||||
| 2059 | S | 30.4 | Very low | 27.3 | Very low | 97 Ų | 97 | 132.9 Ų | 132.9 | 68% | 0.678 | 70% | 0.696 | S | S | * | * | cis | 171.7 | 161 | 24.3 | 28 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 2060 | Q | 29.5 | Very low | 27.4 | Very low | 159 Ų | 159 | 130.4 Ų | 130.4 | 74% | 0.743 | 70% | 0.696 | S | S | * | * | cis | -162.9 | 153.8 | -12.5 | -110.7 | 158.4 | -52.7 | 0 | 0 | 108.2 | ||||
| 2061 | N | 25.6 | Very low | 27.5 | Very low | 141 Ų | 141 | 130.6 Ų | 130.6 | 75% | 0.754 | 70% | 0.697 | S | S | * | * | trans | 25.4 | 154.9 | 138.4 | -61.6 | 0.4 | 0 | 0 | 0 | 122.1 | ||||
| 2062 | P | 39.6 | Very low | 27.7 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 70% | 0.701 | 70% | 0.702 | S | S | * | * | -131.4 | -168.1 | -52.2 | 32.4 | -11 | 0 | 0 | 0 | 110.5 | |||||
| 2063 | I | 31.6 | Very low | 27.6 | Very low | 137 Ų | 137 | 126.9 Ų | 126.9 | 70% | 0.703 | 70% | 0.698 | S | S | * | * | -175.3 | 129 | 81.9 | -85.4 | 176.7 | 0 | 0 | 0 | 109.3 | |||||
| 2064 | N | 28.9 | Very low | 27.8 | Very low | 118 Ų | 118 | 126.4 Ų | 126.4 | 63% | 0.631 | 71% | 0.705 | S | S | * | * | trans | 37.3 | 148.2 | 142 | -56.4 | -3.6 | 0 | 0 | 0 | 121.8 | ||||
| 2065 | Y | 29 | Very low | 27.9 | Very low | 212 Ų | 212 | 127.5 Ų | 127.5 | 83% | 0.831 | 71% | 0.709 | S | S | * | * | cis | -165.4 | 163.1 | -9.5 | -93.4 | -56.1 | 0 | 0 | 0 | 104.1 | ||||
| 2066 | A | 27.9 | Very low | 28.2 | Very low | 75 Ų | 75 | 129.6 Ų | 129.6 | 62% | 0.62 | 72% | 0.719 | S | S | * | * | cis | 175.1 | 152.6 | -32.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 2067 | S | 25.6 | Very low | 28.2 | Very low | 95 Ų | 95 | 129.5 Ų | 129.5 | 66% | 0.664 | 73% | 0.727 | S | S | * | * | trans | 63.6 | 107.9 | 147.4 | 52.2 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 2068 | Y | 27.6 | Very low | 28 | Very low | 213 Ų | 213 | 127.2 Ų | 127.2 | 84% | 0.835 | 73% | 0.73 | S | S | * | * | 70 | 100.3 | 111.9 | -65.1 | -58.7 | 0 | 0 | 0 | 125.2 | |||||
| 2069 | T | 24 | Very low | 27.9 | Very low | 116 Ų | 116 | 126.5 Ų | 126.5 | 71% | 0.712 | 73% | 0.734 | S | S | * | * | 55.9 | 111.9 | 114.9 | 57 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 2070 | T | 24.2 | Very low | 27.7 | Very low | 122 Ų | 122 | 126 Ų | 126 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | trans | 86.9 | 131.9 | 130.6 | -27.3 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 2071 | T | 24.5 | Very low | 27.6 | Very low | 116 Ų | 116 | 125.5 Ų | 125.5 | 71% | 0.712 | 73% | 0.728 | S | S | * | * | trans | 91.5 | 122.7 | 144.6 | 13.6 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 2072 | T | 27.3 | Very low | 27.7 | Very low | 128 Ų | 128 | 127.3 Ų | 127.3 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | trans | 66.9 | 105.7 | 142.7 | 40.1 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 2073 | A | 26.8 | Very low | 27.1 | Very low | 84 Ų | 84 | 126.7 Ų | 126.7 | 69% | 0.694 | 73% | 0.728 | S | S | * | * | 92.9 | 144 | 110.9 | 0 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 2074 | T | 27.4 | Very low | 27 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | trans | 82.9 | 98.2 | 148.6 | 41.5 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 2075 | I | 26.6 | Very low | 26.9 | Very low | 156 Ų | 156 | 126.9 Ų | 126.9 | 80% | 0.8 | 73% | 0.73 | S | S | * | * | trans | 62.2 | 146.1 | 130.9 | -30.6 | -179.2 | 0 | 0 | 0 | 122.4 | ||||
| 2076 | V | 28.2 | Very low | 26.9 | Very low | 123 Ų | 123 | 123.5 Ų | 123.5 | 75% | 0.745 | 73% | 0.727 | S | S | * | * | trans | 81.7 | 102.9 | 167.5 | -164 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 2077 | S | 26.6 | Very low | 26.8 | Very low | 111 Ų | 111 | 126.3 Ų | 126.3 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | 69.1 | 137.9 | 71.8 | -66.1 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 2078 | S | 26.9 | Very low | 26.9 | Very low | 102 Ų | 102 | 128.4 Ų | 128.4 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | cis | -167.8 | 178.4 | 2.6 | 42.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2079 | C | 27.7 | Very low | 26.7 | Very low | 122 Ų | 122 | 125 Ų | 125 | 82% | 0.824 | 73% | 0.731 | S | S | * | * | trans | 80.4 | 142 | 165.7 | -60.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 2080 | S | 27.2 | Very low | 26.9 | Very low | 85 Ų | 85 | 126 Ų | 126 | 59% | 0.594 | 73% | 0.732 | S | S | * | * | cis | -160.8 | 171.8 | -9.7 | 47.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 2081 | E | 25.8 | Very low | 27.1 | Very low | 150 Ų | 150 | 125.3 Ų | 125.3 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | trans | 67.9 | 132.9 | 159 | -73.3 | 144.7 | -99.7 | 0 | 0 | 118.6 | ||||
| 2082 | F | 27.8 | Very low | 27.1 | Very low | 179 Ų | 179 | 126.3 Ų | 126.3 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | cis | -124 | 131.5 | 2.6 | -89.8 | -97.9 | 0 | 0 | 0 | 109.3 | ||||
| 2083 | S | 27.3 | Very low | 27.1 | Very low | 94 Ų | 94 | 124.4 Ų | 124.4 | 66% | 0.657 | 72% | 0.717 | S | S | * | * | 89.1 | 129.6 | 80.7 | -160.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 2084 | N | 29 | Very low | 26.9 | Very low | 131 Ų | 131 | 127 Ų | 127 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | cis | -161 | 163.2 | -7.1 | -128.9 | -6.4 | 0 | 0 | 0 | 113.8 | ||||
| 2085 | N | 28.4 | Very low | 26.9 | Very low | 129 Ų | 129 | 128.1 Ų | 128.1 | 69% | 0.69 | 72% | 0.72 | S | S | * | * | trans | 58.1 | 138.1 | 160.3 | -59.5 | -17.6 | 0 | 0 | 0 | 119.6 | ||||
| 2086 | N | 28.8 | Very low | 26.8 | Very low | 141 Ų | 141 | 126.7 Ų | 126.7 | 75% | 0.754 | 71% | 0.714 | S | S | * | * | cis | 80 | 102.7 | 29.5 | -72.5 | -22.8 | 0 | 0 | 0 | 117.8 | ||||
| 2087 | N | 26.2 | Very low | 26.7 | Very low | 133 Ų | 133 | 127.9 Ų | 127.9 | 71% | 0.711 | 72% | 0.717 | S | S | * | * | 33.5 | 135.2 | 112 | -73.2 | -1.3 | 0 | 0 | 0 | 121.7 | |||||
| 2088 | N | 26.5 | Very low | 26.6 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 75% | 0.749 | 71% | 0.714 | S | S | * | * | trans | 66.7 | 100.8 | 137.4 | -59.8 | -1.6 | 0 | 0 | 0 | 120.7 | ||||
| 2089 | N | 24.4 | Very low | 26.8 | Very low | 141 Ų | 141 | 130.5 Ų | 130.5 | 75% | 0.754 | 72% | 0.721 | S | S | * | * | -106.2 | 149 | 129.3 | -77.7 | -40.2 | 0 | 0 | 0 | 107 | |||||
| 2090 | N | 27.4 | Very low | 26.6 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 73% | 0.733 | 72% | 0.717 | S | S | * | * | cis | -114.8 | 129.2 | 5.4 | -82.7 | -43.7 | 0 | 0 | 0 | 109.1 | ||||
| 2091 | N | 28.4 | Very low | 26.5 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 58% | 0.578 | 73% | 0.728 | S | S | * | * | 66.6 | 143.9 | 86.2 | -68.3 | -43.3 | 0 | 0 | 0 | 114.8 | |||||
| 2092 | N | 25.1 | Very low | 26.6 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | cis | 163.9 | 166.6 | -26.9 | -109.3 | -29.5 | 0 | 0 | 0 | 106.7 | ||||
| 2093 | S | 26 | Very low | 26.6 | Very low | 89 Ų | 89 | 137.4 Ų | 137.4 | 62% | 0.622 | 72% | 0.719 | S | S | * | * | trans | 58.3 | 103 | 153.1 | 59.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 2094 | D | 23.9 | Very low | 26.7 | Very low | 139 Ų | 139 | 138.8 Ų | 138.8 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | 47.5 | 125 | 111.2 | -39.3 | -38.1 | 0 | 0 | 0 | 120.1 | |||||
| 2095 | N | 27.3 | Very low | 26.8 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | -176.2 | 162.9 | 98.2 | -103.9 | -77.2 | 0 | 0 | 0 | 116.3 | |||||
| 2096 | N | 23.2 | Very low | 26.7 | Very low | 126 Ų | 126 | 139.1 Ų | 139.1 | 67% | 0.674 | 72% | 0.72 | S | S | * | * | trans | -51.9 | 142.8 | 176.1 | -53.1 | -83.2 | 0 | 0 | 0 | 116.2 | ||||
| 2097 | N | 27.7 | Very low | 26.6 | Very low | 149 Ų | 149 | 137 Ų | 137 | 80% | 0.797 | 72% | 0.717 | S | S | * | * | 169.2 | 135.6 | 110.5 | -91.7 | -48.5 | 0 | 0 | 0 | 117.4 | |||||
| 2098 | S | 24 | Very low | 26.6 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 72% | 0.72 | 72% | 0.719 | S | S | * | * | trans | 64.2 | 153.2 | 141.3 | -66.9 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 2099 | L | 29.8 | Very low | 26.7 | Very low | 164 Ų | 164 | 136.2 Ų | 136.2 | 86% | 0.859 | 72% | 0.722 | S | S | * | * | trans | 69.6 | 117.3 | 175.6 | -52.2 | 175.4 | 0 | 0 | 0 | 115.7 | ||||
| 2100 | Q | 23.7 | Very low | 26.9 | Very low | 160 Ų | 160 | 134 Ų | 134 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | cis | 91.4 | 113.8 | 28.8 | -70 | -116.1 | -6.9 | 0 | 0 | 116.5 | ||||
| 2101 | Y | 26 | Very low | 26.8 | Very low | 209 Ų | 209 | 135.3 Ų | 135.3 | 82% | 0.82 | 72% | 0.718 | S | S | * | * | trans | 56.6 | 140.7 | 169.7 | -74 | -100.4 | 0 | 0 | 0 | 116.4 | ||||
| 2102 | E | 27.6 | Very low | 26.5 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 60% | 0.603 | 72% | 0.723 | S | S | * | * | cis | -132.3 | 169.7 | -5 | -91.5 | -158.3 | 132 | 0 | 0 | 107.4 | ||||
| 2103 | R | 28.2 | Very low | 26.5 | Very low | 184 Ų | 184 | 136.9 Ų | 136.9 | 69% | 0.694 | 73% | 0.726 | S | S | * | * | cis | -155 | 140.9 | 7.8 | -134 | 170.8 | -153.9 | 161.5 | 26.5 | 110.2 | ||||
| 2104 | N | 28.4 | Very low | 26.4 | Very low | 123 Ų | 123 | 139.7 Ų | 139.7 | 66% | 0.658 | 73% | 0.729 | S | S | * | * | trans | 35.6 | 134.8 | 140 | -64.4 | -17.6 | 0 | 0 | 0 | 121.4 | ||||
| 2105 | K | 31.3 | Very low | 26.4 | Very low | 169 Ų | 169 | 141.3 Ų | 141.3 | 74% | 0.735 | 73% | 0.732 | S | S | * | * | cis | -163.2 | 135 | 10.3 | -124.3 | 167.9 | -170.1 | -179.5 | 0 | 114.3 | ||||
| 2106 | S | 27.7 | Very low | 26.2 | Very low | 97 Ų | 97 | 145.8 Ų | 145.8 | 68% | 0.678 | 74% | 0.738 | S | S | * | * | trans | 45.8 | 126.5 | 140.7 | 60 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 2107 | S | 26.1 | Very low | 26.3 | Very low | 98 Ų | 98 | 148.5 Ų | 148.5 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | cis | 110.4 | 128.1 | 9.7 | 76.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 2108 | T | 26.1 | Very low | 26 | Very low | 123 Ų | 123 | 149.9 Ų | 149.9 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | trans | 46.7 | 134 | 140.3 | 57 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 2109 | V | 28.8 | Very low | 26.1 | Very low | 132 Ų | 132 | 153.3 Ų | 153.3 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | -161.4 | 121.1 | 120.5 | 137.4 | 0 | 0 | 0 | 0 | 105.1 | |||||
| 2110 | C | 27.8 | Very low | 25.8 | Very low | 95 Ų | 95 | 152.9 Ų | 152.9 | 64% | 0.642 | 74% | 0.743 | S | S | * | * | 58.3 | 142.9 | 79 | -75 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 2111 | Q | 25.5 | Very low | 26.3 | Very low | 165 Ų | 165 | 148.7 Ų | 148.7 | 77% | 0.771 | 73% | 0.729 | S | S | * | * | cis | -169.6 | 143.4 | -19.5 | -127.1 | -177.6 | -7 | 0 | 0 | 107.5 | ||||
| 2112 | S | 23.3 | Very low | 26.2 | Very low | 99 Ų | 99 | 143.1 Ų | 143.1 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | trans | 66.2 | 164.6 | 143.9 | -49 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 2113 | F | 24.6 | Very low | 27.2 | Very low | 178 Ų | 178 | 142.6 Ų | 142.6 | 78% | 0.781 | 73% | 0.729 | S | S | * | * | trans | 73 | 89.3 | 162.4 | -90.3 | -89.1 | 0 | 0 | 0 | 121.8 | ||||
| 2114 | Q | 23.7 | Very low | 27.3 | Very low | 147 Ų | 147 | 140 Ų | 140 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | 58 | 143.5 | 126.6 | -100.6 | 76.2 | -16.1 | 0 | 0 | 123.2 | |||||
| 2115 | Q | 23.5 | Very low | 27 | Very low | 173 Ų | 173 | 139 Ų | 139 | 81% | 0.808 | 74% | 0.738 | S | S | * | * | trans | 64 | 86.7 | 156.6 | -64.6 | -176 | -2.3 | 0 | 0 | 118.6 | ||||
| 2116 | R | 23.4 | Very low | 26.6 | Very low | 238 Ų | 238 | 140.9 Ų | 140.9 | 90% | 0.898 | 74% | 0.742 | S | S | * | * | trans | -163.1 | -172.6 | 134 | -116.1 | 154.4 | -72.8 | -166.9 | -0.1 | 110.8 | ||||
| 2117 | M | 24 | Very low | 26.4 | Very low | 183 Ų | 183 | 143 Ų | 143 | 90% | 0.901 | 74% | 0.742 | S | S | * | * | trans | 74.6 | 46.8 | -168.7 | -49.7 | -48.8 | -167.7 | 0 | 0 | 115.3 | ||||
| 2118 | Q | 22.9 | Very low | 26.2 | Very low | 178 Ų | 178 | 146.4 Ų | 146.4 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | trans | -64.2 | 163.8 | 130.2 | -69.8 | 170 | -56.9 | 0 | 0 | 109.4 | ||||
| 2119 | E | 25.7 | Very low | 26.2 | Very low | 176 Ų | 176 | 146.7 Ų | 146.7 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | trans | 77.3 | 92.5 | 169 | -49 | -163.2 | 144.5 | 0 | 0 | 118.5 | ||||
| 2120 | R | 24 | Very low | 26 | Very low | 155 Ų | 155 | 145.5 Ų | 145.5 | 59% | 0.585 | 74% | 0.737 | S | S | * | * | 53.4 | 152.3 | 106.7 | -77 | -178.4 | 173.4 | -159.6 | -5.9 | 119.9 | L2026 | L2026-R2120 VanDerWaalsContact CB-NH2 3.34Å; L2026-R2120 HydrophobicContact CD1-CG 4.01Å | |||
| 2121 | P | 34.4 | Very low | 26 | Very low | 71 Ų | 71 | 144.6 Ų | 144.6 | 46% | 0.461 | 73% | 0.731 | S | S | . | * | cis | -155.9 | -178.8 | -49.4 | 39.8 | -18.5 | 0 | 0 | 0 | 116.6 | N2025 | N2025-P2121 VanDerWaalsContact CG-CG 3.43Å; N2025-P2121 VanDerWaalsContact ND2-CG 3.25Å; N2025-P2121 WeakPolarHBondContact ND2-CG 3.44Å; N2025-P2121 WeakPolarHBondContact OD1-CG 3.08Å | ||
| 2122 | S | 23.5 | Very low | 26.1 | Very low | 93 Ų | 93 | 142.6 Ų | 142.6 | 65% | 0.65 | 72% | 0.723 | S | S | * | * | trans | 49.5 | 149.7 | 139.1 | 66.8 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 2123 | P | 47.6 | Very low | 26.3 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 77% | 0.766 | 71% | 0.706 | S | S | * | * | trans | -92.1 | -172.6 | -171.1 | 41 | -39.6 | 0 | 0 | 0 | 114.4 | ||||
| 2124 | P | 30.2 | Very low | 26.5 | Very low | 130 Ų | 130 | 141.1 Ų | 141.1 | 84% | 0.844 | 70% | 0.704 | S | S | * | * | -145.5 | 176.1 | 122.8 | 41.4 | -28.9 | 0 | 0 | 0 | 115.8 | |||||
| 2125 | S | 23.3 | Very low | 26.6 | Very low | 102 Ų | 102 | 144.9 Ų | 144.9 | 71% | 0.713 | 71% | 0.712 | S | S | * | * | trans | -122.2 | 162 | 156.4 | 59.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 2126 | Y | 23 | Very low | 26.8 | Very low | 208 Ų | 208 | 139.7 Ų | 139.7 | 82% | 0.816 | 71% | 0.705 | S | S | * | * | trans | 81.9 | 137.6 | 169.7 | -87 | -94.4 | 0 | 0 | 0 | 121.3 | ||||
| 2127 | Q | 22 | Very low | 27.2 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 66% | 0.664 | 70% | 0.702 | S | S | * | * | trans | -10 | 135.6 | 169.2 | -63.2 | 174.4 | -87.6 | 0 | 0 | 124.2 | ||||
| 2128 | Q | 23.7 | Very low | 27.5 | Very low | 168 Ų | 168 | 132.8 Ų | 132.8 | 79% | 0.785 | 69% | 0.689 | S | S | * | * | 43.3 | 133.7 | 129.4 | -63 | 174.9 | -54.7 | 0 | 0 | 123.4 | |||||
| 2129 | V | 24.3 | Very low | 27.9 | Very low | 129 Ų | 129 | 133 Ų | 133 | 78% | 0.782 | 69% | 0.69 | S | S | * | * | trans | -172.3 | 176 | 130.6 | 141.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 2130 | L | 26 | Very low | 28 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 57% | 0.565 | 69% | 0.686 | S | S | * | * | trans | -125.1 | 153 | -154.2 | -45.5 | 93.1 | 0 | 0 | 0 | 118.9 | N2018 N2019 | N2018-L2130 WeakPolarHBondContact O-CB 3.45Å; N2018-L2130 WeakPolarHBondContact O-CD2 3.18Å; N2018-L2130 WeakPolarHBondContact O-CG 3.33Å; N2019-L2130 CarbonylContact O-C 3.59Å | ||
| 2131 | S | 27.5 | Very low | 28.2 | Very low | 75 Ų | 75 | 126.5 Ų | 126.5 | 52% | 0.524 | 70% | 0.699 | S | S | . | * | trans | 77.2 | 149.3 | 154.2 | 78.7 | 0 | 0 | 0 | 0 | 118.3 | N2019 | N2019-S2131 CarbonylContact O-C 3.52Å; N2019-S2131 VanDerWaalsContact O-CA 3.3Å; N2019-S2131 WeakPolarHBondContact O-CA 3.4Å; N2019-S2131 PolarHBondContact O-N 3.1Å | ||
| 2132 | M | 26.7 | Very low | 27.8 | Very low | 123 Ų | 123 | 130.5 Ų | 130.5 | 61% | 0.606 | 72% | 0.716 | S | S | * | * | cis | -164.9 | -171.6 | 0.1 | -129.6 | -102.4 | 179.5 | 0 | 0 | 110.7 | N2018 | N2018-M2132 WeakPolarHBondContact ND2-CE 3.4Š| ||
| 2133 | S | 28.7 | Very low | 28.1 | Very low | 47 Ų | 47 | 135.1 Ų | 135.1 | 33% | 0.329 | 73% | 0.725 | S | S | . | * | -154.6 | 148.3 | -96.8 | -162.8 | 0 | 0 | 0 | 0 | 113.2 | Y2020 | Y2020-S2133 WeakPolarHBondContact CE2-OG 3.1Å; Y2020-S2133 WeakPolarHBondContact OH-CA 3.34Å; Y2020-S2133 PolarHBondContact OH-OG 3.06Å | |||
| 2134 | R | 27.3 | Very low | 27.2 | Very low | 200 Ų | 200 | 136.1 Ų | 136.1 | 76% | 0.755 | 72% | 0.722 | S | S | * | * | trans | 157.8 | 145.4 | 148.5 | -91.2 | 159.2 | -175.5 | -154.2 | 1.7 | 118.9 | ||||
| 2135 | R | 27.5 | Very low | 27.2 | Very low | 226 Ų | 226 | 138 Ų | 138 | 85% | 0.853 | 72% | 0.723 | S | S | * | * | trans | 64 | 152.5 | 143.1 | -68.4 | 172.4 | 177.2 | -169.2 | -3.2 | 120.4 | ||||
| 2136 | G | 27.9 | Very low | 27.3 | Very low | 63 Ų | 63 | 138.2 Ų | 138.2 | 65% | 0.649 | 73% | 0.725 | S | S | * | * | cis | 161.1 | 171.3 | -8.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 2137 | N | 30.3 | Very low | 27.6 | Very low | 156 Ų | 156 | 132.8 Ų | 132.8 | 83% | 0.834 | 72% | 0.722 | S | S | * | * | trans | 73.6 | 152.3 | 175.5 | -68.2 | 5.2 | 0 | 0 | 0 | 117 | ||||
| 2138 | N | 30.8 | Very low | 27.9 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 64% | 0.642 | 73% | 0.732 | S | S | * | * | cis | -151 | 148 | 11.1 | -134 | -3.1 | 0 | 0 | 0 | 113.9 | ||||
| 2139 | Q | 30.8 | Very low | 28.3 | Very low | 182 Ų | 182 | 131.3 Ų | 131.3 | 85% | 0.85 | 73% | 0.726 | S | S | * | * | trans | 52.3 | 132.6 | 157.5 | -59.3 | 173.9 | 8.7 | 0 | 0 | 119.7 | ||||
| 2140 | G | 28.2 | Very low | 28.4 | Very low | 70 Ų | 70 | 133.7 Ų | 133.7 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | cis | -178 | 166.5 | -3.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 2141 | S | 29.5 | Very low | 28.8 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | cis | -153.5 | 158.6 | 5 | -72.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 2142 | L | 25.1 | Very low | 29.2 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | trans | -108.8 | 160.2 | 175.3 | -58.4 | 93.1 | 0 | 0 | 0 | 111.8 | ||||
| 2143 | K | 29.5 | Very low | 29.2 | Very low | 191 Ų | 191 | 134 Ų | 134 | 83% | 0.83 | 75% | 0.746 | S | S | * | * | 178.4 | 119.3 | 110.2 | -98.2 | 175.2 | 179.8 | -177.9 | 0 | 116.6 | |||||
| 2144 | I | 28.2 | Very low | 29.2 | Very low | 139 Ų | 139 | 139 Ų | 139 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | 16.7 | 126.5 | 119.3 | -39.9 | 170.6 | 0 | 0 | 0 | 118.1 | |||||
| 2145 | I | 30.2 | Very low | 29.3 | Very low | 170 Ų | 170 | 135.6 Ų | 135.6 | 87% | 0.872 | 77% | 0.765 | S | S | * | * | -174 | 166.6 | 123 | -94.4 | 163.1 | 0 | 0 | 0 | 110 | |||||
| 2146 | S | 26.3 | Very low | 29.1 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | trans | -100.5 | 155.4 | -152.7 | 53.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 2147 | A | 29.7 | Very low | 28.9 | Very low | 93 Ų | 93 | 135 Ų | 135 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | 80.6 | 115 | 153.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 2148 | Q | 27 | Very low | 28.7 | Very low | 185 Ų | 185 | 131.7 Ų | 131.7 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | trans | 60.8 | 75.1 | 152.3 | -62.6 | -169.2 | -6.7 | 0 | 0 | 121.3 | ||||
| 2149 | S | 32.7 | Very low | 28.7 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | 59.9 | 123 | 121.7 | 62.5 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 2150 | H | 26.4 | Very low | 28.7 | Very low | 180 Ų | 180 | 130.1 Ų | 130.1 | 83% | 0.833 | 75% | 0.754 | S | S | * | * | trans | 75.2 | 158.1 | 156.9 | -60.3 | -59.1 | 0 | 0 | 0 | 118.7 | ||||
| 2151 | P | 34.6 | Very low | 28.5 | Very low | 118 Ų | 118 | 138 Ų | 138 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | cis | -129 | -125.2 | -18.9 | 27.1 | -0.5 | 0 | 0 | 0 | 114.4 | ||||
| 2152 | P | 35.8 | Very low | 28.3 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 69% | 0.688 | 76% | 0.756 | S | S | * | * | -139.5 | -175.6 | -104.1 | 46.2 | -28.7 | 0 | 0 | 0 | 119.5 | |||||
| 2153 | S | 27 | Very low | 28.3 | Very low | 87 Ų | 87 | 138.1 Ų | 138.1 | 61% | 0.608 | 76% | 0.755 | S | S | * | * | trans | 92.8 | 137.7 | 134.5 | 73.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 2154 | N | 28.9 | Very low | 28.7 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -173.8 | 126.4 | 148.7 | -126.1 | 16.5 | 0 | 0 | 0 | 106.3 | ||
| 2155 | I | 28.9 | Very low | 29 | Very low | 129 Ų | 129 | 133.1 Ų | 133.1 | 66% | 0.662 | 75% | 0.75 | S | S | * | * | S | Bend | cis | -135.8 | 141.7 | -18.6 | -59.1 | 171.1 | 0 | 0 | 0 | 103.5 | ||
| 2156 | Y | 24.1 | Very low | 28.8 | Very low | 197 Ų | 197 | 132.3 Ų | 132.3 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | S | Bend | cis | -72 | 164.8 | 8.9 | -85.9 | -127 | 0 | 0 | 0 | 112.5 | ||
| 2157 | S | 23.3 | Very low | 28.7 | Very low | 78 Ų | 78 | 137.1 Ų | 137.1 | 55% | 0.545 | 75% | 0.745 | S | S | . | * | cis | 68.2 | 130.2 | 47.9 | -31.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2158 | S | 25.5 | Very low | 28.7 | Very low | 87 Ų | 87 | 138.6 Ų | 138.6 | 61% | 0.608 | 74% | 0.744 | S | S | * | * | cis | -171.5 | 142.1 | -8.1 | 42.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 2159 | H | 30.1 | Very low | 28.6 | Very low | 194 Ų | 194 | 138.5 Ų | 138.5 | 90% | 0.898 | 75% | 0.746 | S | S | * | * | trans | 64.4 | 166.4 | 162.3 | -45.6 | -43.7 | 0 | 0 | 0 | 117.6 | ||||
| 2160 | G | 31.1 | Very low | 28.5 | Very low | 76 Ų | 76 | 138 Ų | 138 | 78% | 0.784 | 75% | 0.748 | S | S | * | * | trans | 137.7 | 34.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 2161 | R | 24.7 | Very low | 28.6 | Very low | 235 Ų | 235 | 135.2 Ų | 135.2 | 89% | 0.887 | 74% | 0.744 | S | S | * | * | trans | -128.7 | 117.1 | 150 | -148.7 | -173.6 | -168.5 | -158.2 | 6.7 | 109.6 | ||||
| 2162 | P | 24.7 | Very low | 28.3 | Very low | 114 Ų | 114 | 136.7 Ų | 136.7 | 74% | 0.74 | 74% | 0.744 | S | S | * | * | -99.1 | 152.9 | 118.2 | 27.6 | -34.2 | 0 | 0 | 0 | 112 | |||||
| 2163 | Q | 25.9 | Very low | 27.9 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | trans | 15.2 | 161.7 | 131 | -73.7 | -163.7 | 23.1 | 0 | 0 | 122.1 | ||||
| 2164 | P | 36.9 | Very low | 27.9 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | -58.5 | 168.4 | -179.6 | 27.4 | -40.3 | 0 | 0 | 0 | 113.9 | ||||
| 2165 | P | 34.2 | Very low | 28 | Very low | 112 Ų | 112 | 135 Ų | 135 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | cis | -154 | -167.9 | 39.5 | 45.6 | -23.5 | 0 | 0 | 0 | 118.7 | ||||
| 2166 | Q | 26.1 | Very low | 28 | Very low | 154 Ų | 154 | 134.5 Ų | 134.5 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | trans | 9.8 | 137.6 | 146.3 | -62.3 | 179.7 | 12.4 | 0 | 0 | 121.9 | ||||
| 2167 | R | 24.9 | Very low | 28.4 | Very low | 207 Ų | 207 | 128.8 Ų | 128.8 | 78% | 0.781 | 73% | 0.733 | S | S | * | * | trans | 70.8 | 168.5 | 141.1 | -76.4 | 176.8 | 164.7 | -174.4 | -3.9 | 119.2 | ||||
| 2168 | T | 29.5 | Very low | 28.7 | Very low | 123 Ų | 123 | 133 Ų | 133 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | trans | 81.9 | 95.9 | 163.6 | -34.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 2169 | M | 25.6 | Very low | 29 | Very low | 183 Ų | 183 | 135.4 Ų | 135.4 | 90% | 0.901 | 75% | 0.749 | S | S | * | * | 81.1 | 165 | 73 | -71.7 | -110.9 | -74 | 0 | 0 | 113.9 | |||||
| 2170 | A | 30.4 | Very low | 29.1 | Very low | 83 Ų | 83 | 131.8 Ų | 131.8 | 69% | 0.686 | 74% | 0.737 | S | S | * | * | trans | 84.3 | 72.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 2171 | T | 29.6 | Very low | 29.1 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | 60.2 | 123.6 | 113.2 | 54.6 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 2172 | L | 27.4 | Very low | 29.3 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | 88 | 109.8 | 122.4 | -71.5 | 173.2 | 0 | 0 | 0 | 123.3 | |||||
| 2173 | S | 26.7 | Very low | 29.5 | Very low | 101 Ų | 101 | 137.8 Ų | 137.8 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | 82.3 | 161 | 117.6 | 92.6 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 2174 | S | 27.8 | Very low | 29.5 | Very low | 84 Ų | 84 | 135.3 Ų | 135.3 | 59% | 0.587 | 75% | 0.745 | S | S | * | * | cis | -168.3 | 176.8 | -1.6 | 27.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2175 | N | 30.4 | Very low | 29 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 67% | 0.668 | 74% | 0.743 | S | S | * | * | trans | 84.3 | 144.8 | 157.3 | -53.8 | -46.3 | 0 | 0 | 0 | 118 | ||||
| 2176 | C | 29.8 | Very low | 28.7 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | S | Bend | cis | -83.9 | 144.2 | -1.8 | -60 | 0 | 0 | 0 | 0 | 112 | ||
| 2177 | S | 31.3 | Very low | 29 | Very low | 77 Ų | 77 | 133.7 Ų | 133.7 | 54% | 0.538 | 76% | 0.755 | S | S | . | * | cis | 80.2 | 134.7 | 30.5 | 88.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 2178 | H | 30.9 | Very low | 29.7 | Very low | 166 Ų | 166 | 130.3 Ų | 130.3 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | cis | -156.3 | 168 | -2.5 | -130.4 | -8.5 | 0 | 0 | 0 | 114.1 | ||||
| 2179 | N | 31.5 | Very low | 29.5 | Very low | 137 Ų | 137 | 128.2 Ų | 128.2 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | 75.5 | 143.8 | -174.3 | -66.5 | -72.7 | 0 | 0 | 0 | 116.5 | ||||
| 2180 | N | 30.9 | Very low | 29.6 | Very low | 119 Ų | 119 | 128 Ų | 128 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | cis | -160.4 | 178.3 | -30 | -141.8 | -42.3 | 0 | 0 | 0 | 111.6 | ||||
| 2181 | Y | 31.9 | Very low | 29.6 | Very low | 202 Ų | 202 | 129.4 Ų | 129.4 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | trans | 49.7 | 82.5 | 164.7 | -73.4 | -69 | 0 | 0 | 0 | 120.8 | ||||
| 2182 | R | 28.8 | Very low | 29.4 | Very low | 250 Ų | 250 | 130.3 Ų | 130.3 | 94% | 0.943 | 76% | 0.76 | S | S | * | * | trans | 73.7 | 132.5 | 145 | -88.2 | -176.4 | 169.6 | 170.8 | -2.5 | 121.4 | ||||
| 2183 | A | 28.3 | Very low | 29.7 | Very low | 99 Ų | 99 | 129.5 Ų | 129.5 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -145.4 | -173.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 2184 | S | 27 | Very low | 29.6 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | cis | -151.8 | -177 | 7.4 | 63.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 2185 | S | 27.1 | Very low | 29.6 | Very low | 99 Ų | 99 | 136.3 Ų | 136.3 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | trans | -90.9 | 167.7 | 169.7 | 51.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2186 | C | 27.2 | Very low | 29.3 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | trans | 77.9 | 154.9 | 169.8 | -57.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 2187 | S | 31.2 | Very low | 29.1 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | trans | -123.6 | -171.4 | -162.6 | -15.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2188 | P | 40.2 | Very low | 28.8 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | cis | -130.7 | -175.1 | -31.4 | 37.9 | -20.1 | 0 | 0 | 0 | 113.5 | ||||
| 2189 | G | 25.2 | Very low | 28.6 | Very low | 79 Ų | 79 | 133.8 Ų | 133.8 | 81% | 0.814 | 76% | 0.758 | S | S | * | * | trans | -176.1 | 160.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 2190 | M | 28.9 | Very low | 28.3 | Very low | 180 Ų | 180 | 134 Ų | 134 | 89% | 0.887 | 76% | 0.758 | S | S | * | * | trans | -152.2 | 153 | -159 | -162.8 | -170.7 | 173.6 | 0 | 0 | 118.5 | ||||
| 2191 | T | 29.4 | Very low | 28.3 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | trans | 91.8 | 126.7 | 150.1 | -10.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 2192 | I | 26.4 | Very low | 28.1 | Very low | 142 Ų | 142 | 129.4 Ų | 129.4 | 73% | 0.728 | 76% | 0.756 | S | S | * | * | -170.8 | 164.4 | 126.1 | -102.9 | 164.8 | 0 | 0 | 0 | 110.6 | |||||
| 2193 | V | 33.8 | Very low | 28.3 | Very low | 130 Ų | 130 | 123.4 Ų | 123.4 | 79% | 0.788 | 75% | 0.746 | S | S | * | * | trans | 79.9 | 115.2 | -175.1 | -168 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 2194 | R | 23 | Very low | 28.1 | Very low | 211 Ų | 211 | 126.5 Ų | 126.5 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | trans | -101.2 | 160.6 | 155.2 | -69.3 | 171.3 | 159.7 | -169.2 | -3.8 | 107.4 | V2196 | R2194-V2196 HydrophobicContact CB-CG2 4.1Š| ||
| 2195 | P | 27.4 | Very low | 28.7 | Very low | 118 Ų | 118 | 125.3 Ų | 125.3 | 77% | 0.766 | 73% | 0.733 | S | S | * | * | -110.8 | 162.8 | 77.4 | 39.4 | -39.9 | 0 | 0 | 0 | 111.4 | |||||
| 2196 | V | 24.3 | Very low | 28.8 | Very low | 92 Ų | 92 | 127.6 Ų | 127.6 | 56% | 0.558 | 73% | 0.733 | S | S | * | * | cis | 75.5 | 144.9 | 27.3 | 177.9 | 0 | 0 | 0 | 0 | 112.8 | R2194 | R2194-V2196 HydrophobicContact CB-CG2 4.1Š| ||
| 2197 | V | 26.7 | Very low | 28.9 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 65% | 0.648 | 72% | 0.722 | S | S | * | * | trans | 63.9 | 91.5 | -169.2 | -179.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2198 | N | 24.5 | Very low | 28.9 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 70% | 0.695 | 71% | 0.713 | S | S | * | * | 69.1 | 169 | 62.3 | -44.6 | 7.9 | 0 | 0 | 0 | 110.7 | |||||
| 2199 | D | 27.7 | Very low | 28.5 | Very low | 106 Ų | 106 | 129.6 Ų | 129.6 | 57% | 0.567 | 70% | 0.702 | S | S | * | * | cis | -155.5 | 147.4 | 28.2 | -105.2 | -45 | 0 | 0 | 0 | 112.7 | ||||
| 2200 | L | 25.5 | Very low | 28.7 | Very low | 140 Ų | 140 | 132.8 Ų | 132.8 | 73% | 0.733 | 70% | 0.699 | S | S | * | * | trans | 64.6 | 150 | 144.4 | -57.5 | 168 | 0 | 0 | 0 | 117.8 | ||||
| 2201 | N | 29.1 | Very low | 28.9 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 68% | 0.679 | 69% | 0.687 | S | S | * | * | cis | -157.3 | 158.6 | 9.9 | -134 | -17.7 | 0 | 0 | 0 | 112.2 | ||||
| 2202 | S | 29.5 | Very low | 29 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 69% | 0.692 | 70% | 0.698 | S | S | * | * | trans | 65.6 | 146.7 | 153.3 | -59.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 2203 | V | 31.5 | Very low | 29.3 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 75% | 0.745 | 70% | 0.699 | S | S | * | * | cis | -151.4 | 148.3 | -7.1 | 112.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 2204 | E | 25.1 | Very low | 29.2 | Very low | 164 Ų | 164 | 132.8 Ų | 132.8 | 77% | 0.766 | 70% | 0.695 | S | S | * | * | trans | -11.9 | 174.2 | 143.7 | -77.7 | -170.6 | 135.2 | 0 | 0 | 121.6 | ||||
| 2205 | P | 39.7 | Very low | 29.7 | Very low | 91 Ų | 91 | 133.8 Ų | 133.8 | 59% | 0.591 | 72% | 0.717 | S | S | * | * | cis | -142.8 | -176.1 | -25.4 | 33 | -12.1 | 0 | 0 | 0 | 116.4 | ||||
| 2206 | H | 28.4 | Very low | 29.8 | Very low | 148 Ų | 148 | 134.6 Ų | 134.6 | 69% | 0.685 | 71% | 0.714 | S | S | * | * | trans | 90.6 | 118.4 | 146.4 | -73.7 | -46.8 | 0 | 0 | 0 | 123.7 | ||||
| 2207 | H | 30.2 | Very low | 30.1 | Very low | 138 Ų | 138 | 136.8 Ų | 136.8 | 64% | 0.639 | 72% | 0.722 | S | S | * | * | trans | 65.9 | 146.1 | 135.9 | -67.5 | -17.7 | 0 | 0 | 0 | 118.8 | ||||
| 2208 | K | 30.5 | Very low | 30.3 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 63% | 0.626 | 73% | 0.726 | S | S | * | * | cis | 178.1 | 161.4 | -0.5 | -100.3 | 169 | 172.5 | 162.6 | 0 | 102.7 | ||||
| 2209 | H | 30.9 | Very low | 30.6 | Very low | 140 Ų | 140 | 139 Ų | 139 | 65% | 0.648 | 73% | 0.728 | S | S | * | * | cis | -157.8 | 161.4 | -0.9 | -113.8 | -39.6 | 0 | 0 | 0 | 108.1 | ||||
| 2210 | I | 31 | Very low | 30.8 | Very low | 146 Ų | 146 | 141.1 Ų | 141.1 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | trans | 33.7 | 123.7 | 141.3 | -53.8 | 159.3 | 0 | 0 | 0 | 118.1 | ||||
| 2211 | G | 32.5 | Very low | 31.2 | Very low | 63 Ų | 63 | 141.1 Ų | 141.1 | 65% | 0.649 | 74% | 0.739 | S | S | * | * | cis | 121 | 164.8 | -0.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 2212 | R | 32.4 | Very low | 31.3 | Very low | 242 Ų | 242 | 142.1 Ų | 142.1 | 91% | 0.913 | 74% | 0.743 | S | S | * | * | trans | 68.4 | 164.5 | 177.3 | -69.8 | -171.2 | 176.1 | 178.9 | -0.8 | 116.8 | ||||
| 2213 | L | 31.1 | Very low | 31.4 | Very low | 144 Ų | 144 | 145.5 Ų | 145.5 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | cis | 175.8 | 130.7 | -32.5 | -171.3 | 120 | 0 | 0 | 0 | 106.6 | ||||
| 2214 | V | 32 | Very low | 31.4 | Very low | 115 Ų | 115 | 147.3 Ų | 147.3 | 70% | 0.697 | 75% | 0.747 | S | S | * | * | trans | 56.5 | 108.3 | 168.3 | 176.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 2215 | D | 33.6 | Very low | 32 | Very low | 233 Ų | 233 | 145.8 Ų | 145.8 | 100% | 1.246 | 75% | 0.745 | S | S | * | * | -133.3 | 0 | 91.9 | -90.7 | -33 | 0 | 0 | 0 | 108.5 |
Retrieved 2,215 of 2,215 residues in 492.9 ms
(Link to these results)