| 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 | 31.2 | Very low | 72.4 | Confident | 236 Ų | 236 | 107.4 Ų | 107.4 | 100% | 1.163 | 53% | 0.525 | S | S | * | . | 0 | 141.7 | 0 | -63.9 | 179.7 | -156.2 | 0 | 0 | 106.7 | D3 | M1-D3 PolarHBondContact O-N 2.72Å; M1-D3 VanDerWaalsContact O-N 3.09Å | |||
| 2 | S | 39.1 | Very low | 73.9 | Confident | 100 Ų | 100 | 100.8 Ų | 100.8 | 70% | 0.699 | 50% | 0.501 | S | S | * | . | trans | -54.4 | 115.4 | -176.5 | 168.3 | 0 | 0 | 0 | 0 | 110.5 | R4 | S2-R4 PolarHBondContact O-N 3.34Å; S2-R4 PolarHBondContact OG-N 3.49Å; S2-R4 PolarHBondContact OG-O 2.87Å; S2-R4 VanDerWaalsContact OG-O 3.05Å | ||
| 3 | D | 55.8 | Low | 75 | Confident | 91 Ų | 91 | 93.4 Ų | 93.4 | 49% | 0.487 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -69.5 | 10.2 | 172.1 | -80.5 | -34.1 | 0 | 0 | 0 | 112.3 | M1 T31 | M1-D3 PolarHBondContact O-N 2.72Å; M1-D3 VanDerWaalsContact O-N 3.09Å; D3-T31 PolarHBondContact OD2-OG1 3.41Å |
| 4 | R | 66 | Low | 76 | Confident | 215 Ų | 215 | 88.1 Ų | 88.1 | 81% | 0.811 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -111.3 | 127.8 | 173.2 | -70.6 | -174.8 | 175.2 | -172.7 | -3.3 | 110.5 | S2 | S2-R4 PolarHBondContact O-N 3.34Å; S2-R4 PolarHBondContact OG-N 3.49Å; S2-R4 PolarHBondContact OG-O 2.87Å; S2-R4 VanDerWaalsContact OG-O 3.05Å |
| 5 | I | 75.9 | Confident | 76.8 | Confident | 43 Ų | 43 | 85.8 Ų | 85.8 | 22% | 0.221 | 44% | 0.438 | C | S | . | . | trans | -62.1 | 138.9 | 173.5 | -61.1 | 164.7 | 0 | 0 | 0 | 109.7 | V9 I10 V24 R37 F68 | I5-V9 HydrophobicContact CG2-CB 3.94Å; I5-V9 HydrophobicContact CG2-CG1 3.89Å; I5-I10 HydrophobicContact CG2-CG1 4.16Å; I5-V24 HydrophobicContact CD1-CG1 3.8Å; I5-R37 VanDerWaalsContact CD1-CD 3.45Å; I5-R37 HydrophobicContact CD1-CG 4.41Å; I5-R37 VanDerWaalsContact CD1-NE 3.27Å; I5-F68 HydrophobicContact CD1-CZ 3.99Å | ||
| 6 | D | 83.5 | Confident | 77.3 | Confident | 98 Ų | 98 | 80.9 Ų | 80.9 | 52% | 0.524 | 42% | 0.416 | S | S | . | . | trans | -62.2 | 139.9 | 176.5 | -159.9 | -35.3 | 0 | 0 | 0 | 111.5 | D8 V9 I10 | D6-D8 PolarHBondContact O-N 3.22Å; D6-D8 PolarHBondContact OD1-N 3.04Å; D6-D8 VanDerWaalsContact OD1-N 3.07Å; D6-V9 HydrophobicContact CB-CG2 4.13Å; D6-V9 WeakPolarHBondContact O-CB 3.28Å; D6-V9 PolarHBondContact O-N 3.31Å; D6-V9 VanDerWaalsContact O-N 3.16Å; D6-I10 PolarHBondContact O-N 2.88Å | ||
| 7 | R | 86.5 | Confident | 77.9 | Confident | 178 Ų | 178 | 83.6 Ų | 83.6 | 67% | 0.672 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -63.7 | -28.8 | 177.6 | -165.5 | 167.7 | -174.2 | 172.4 | 0.7 | 111.8 | V9 I10 N11 | R7-V9 VanDerWaalsContact C-N 3.35Å; R7-I10 PolarHBondContact O-N 3.43Å; R7-N11 VanDerWaalsContact O-CG 3.29Å; R7-N11 PolarHBondContact O-N 2.67Å; R7-N11 PolarHBondContact O-ND2 3.41Å |
| 8 | D | 87.8 | Confident | 78.5 | Confident | 113 Ų | 113 | 81.4 Ų | 81.4 | 60% | 0.604 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -67.9 | -35.7 | 176.2 | -71.5 | -20.2 | 0 | 0 | 0 | 112.1 | D6 N11 A12 | D6-D8 PolarHBondContact O-N 3.22Å; D6-D8 PolarHBondContact OD1-N 3.04Å; D6-D8 VanDerWaalsContact OD1-N 3.07Å; D8-N11 PolarHBondContact O-N 3.01Å; D8-A12 WeakPolarHBondContact O-CB 3.39Å; D8-A12 PolarHBondContact O-N 3.19Å |
| 9 | V | 89.7 | Confident | 78.8 | Confident | 36 Ų | 36 | 79.7 Ų | 79.7 | 22% | 0.218 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -66 | -43 | 173.2 | 173 | 0 | 0 | 0 | 0 | 110.7 | I5 D6 R7 N11 A12 L13 F18 V24 | I5-V9 HydrophobicContact CG2-CB 3.94Å; I5-V9 HydrophobicContact CG2-CG1 3.89Å; D6-V9 HydrophobicContact CB-CG2 4.13Å; D6-V9 WeakPolarHBondContact O-CB 3.28Å; D6-V9 PolarHBondContact O-N 3.31Å; D6-V9 VanDerWaalsContact O-N 3.16Å; R7-V9 VanDerWaalsContact C-N 3.35Å; V9-N11 VanDerWaalsContact C-N 3.34Å; V9-N11 PolarHBondContact O-N 2.82Å; V9-A12 PolarHBondContact O-N 2.7Å; V9-L13 WeakPolarHBondContact O-CB 2.97Å; V9-L13 PolarHBondContact O-N 2.77Å; V9-F18 HydrophobicContact CG1-CD2 4.29Å; V9-F18 HydrophobicContact CG1-CE1 4.12Å; V9-F18 HydrophobicContact CG1-CE2 3.83Å; V9-F18 HydrophobicContact CG1-CZ 3.73Å; V9-F18 HydrophobicContact CG2-CE2 4.26Å; V9-V24 HydrophobicContact CG1-CG2 3.58Å |
| 10 | I | 90.1 | Very high | 79.3 | Confident | 16 Ų | 16 | 79.2 Ų | 79.2 | 8% | 0.082 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 175.8 | -64.5 | 172 | 0 | 0 | 0 | 110.6 | I5 D6 R7 L13 I14 D64 F68 | I5-I10 HydrophobicContact CG2-CG1 4.16Å; D6-I10 PolarHBondContact O-N 2.88Å; R7-I10 PolarHBondContact O-N 3.43Å; I10-L13 PolarHBondContact O-N 2.97Å; I10-I14 HydrophobicContact CG2-CD1 3.57Å; I10-I14 HydrophobicContact CG2-CG1 4.44Å; I10-I14 WeakPolarHBondContact O-CD1 3.27Å; I10-I14 VanDerWaalsContact O-CG1 3.29Å; I10-I14 WeakPolarHBondContact O-CG1 3.36Å; I10-I14 PolarHBondContact O-N 2.85Å; I10-D64 HydrophobicContact CG2-CB 4.19Å; I10-F68 HydrophobicContact CD1-CD1 3.99Å; I10-F68 HydrophobicContact CD1-CE1 3.91Å; I10-F68 HydrophobicContact CD1-CZ 4.5Å; I10-F68 HydrophobicContact CG1-CD1 4.2Å; I10-F68 HydrophobicContact CG1-CE1 4.06Å; I10-F68 HydrophobicContact CG1-CE2 4.44Å; I10-F68 HydrophobicContact CG1-CG 4.46Å; I10-F68 HydrophobicContact CG1-CZ 4.19Å; I10-F68 HydrophobicContact CG2-CB 4.11Å; I10-F68 HydrophobicContact CG2-CD1 4.36Å; I10-F68 HydrophobicContact CG2-CD2 4.39Å; I10-F68 HydrophobicContact CG2-CG 4.03Å |
| 11 | N | 91.5 | Very high | 79.9 | Confident | 55 Ų | 55 | 75.4 Ų | 75.4 | 29% | 0.294 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 175.6 | -74.5 | -32.8 | 0 | 0 | 0 | 112 | R7 D8 V9 L13 I14 A15 R66 | R7-N11 VanDerWaalsContact O-CG 3.29Å; R7-N11 PolarHBondContact O-N 2.67Å; R7-N11 PolarHBondContact O-ND2 3.41Å; D8-N11 PolarHBondContact O-N 3.01Å; V9-N11 VanDerWaalsContact C-N 3.34Å; V9-N11 PolarHBondContact O-N 2.82Å; N11-L13 VanDerWaalsContact C-N 3.33Å; N11-L13 PolarHBondContact O-N 3.23Å; N11-I14 PolarHBondContact O-N 2.75Å; N11-A15 VanDerWaalsContact O-CB 3.3Å; N11-A15 WeakPolarHBondContact O-CB 3.48Å; N11-A15 PolarHBondContact O-N 2.83Å; N11-R66 PolarHBondContact OD1-NH1 3.05Å; N11-R66 PolarHBondContact OD1-NH2 3.03Å |
| 12 | A | 89.3 | Confident | 82.8 | Confident | 28 Ų | 28 | 65.5 Ų | 65.5 | 23% | 0.231 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | D8 V9 A15 G16 H17 F18 | D8-A12 WeakPolarHBondContact O-CB 3.39Å; D8-A12 PolarHBondContact O-N 3.19Å; V9-A12 PolarHBondContact O-N 2.7Å; A12-A15 PolarHBondContact O-N 3.21Å; A12-G16 PolarHBondContact O-N 2.79Å; A12-H17 PolarHBondContact O-N 2.86Å; A12-F18 HydrophobicContact CB-CB 4.05Å; A12-F18 HydrophobicContact CB-CD2 4.16Å; A12-F18 PolarHBondContact O-N 3.4Å |
| 13 | L | 88.8 | Confident | 85.3 | Confident | 5 Ų | 5 | 63.3 Ų | 63.3 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.2 | -45.8 | 177.9 | -166.5 | 79.7 | 0 | 0 | 0 | 111.6 | V9 I10 N11 A15 G16 F18 P21 V24 L25 L39 F68 | V9-L13 WeakPolarHBondContact O-CB 2.97Å; V9-L13 PolarHBondContact O-N 2.77Å; I10-L13 PolarHBondContact O-N 2.97Å; N11-L13 VanDerWaalsContact C-N 3.33Å; N11-L13 PolarHBondContact O-N 3.23Å; L13-A15 VanDerWaalsContact C-N 3.32Å; L13-A15 PolarHBondContact O-N 3.05Å; L13-G16 PolarHBondContact O-N 2.81Å; L13-F18 HydrophobicContact CB-CB 4.28Å; L13-F18 HydrophobicContact CD1-CB 4.06Å; L13-F18 HydrophobicContact CD1-CD1 3.86Å; L13-F18 HydrophobicContact CD1-CG 4.37Å; L13-P21 HydrophobicContact CD1-CB 4.17Å; L13-V24 HydrophobicContact CD2-CG1 4.37Å; L13-L25 HydrophobicContact CD1-CD1 4.19Å; L13-L25 HydrophobicContact CD1-CG 4.42Å; L13-L25 HydrophobicContact CD2-CD1 4.06Å; L13-L25 HydrophobicContact CD2-CD2 3.67Å; L13-L25 HydrophobicContact CD2-CG 3.88Å; L13-L39 HydrophobicContact CD2-CB 4.1Å; L13-L39 HydrophobicContact CD2-CD2 4.05Å; L13-L39 HydrophobicContact CG-CD2 3.87Å; L13-F68 HydrophobicContact CD2-CD2 3.98Å; L13-F68 HydrophobicContact CD2-CE2 3.81Å |
| 14 | I | 89.4 | Confident | 87.1 | Confident | 19 Ų | 19 | 59.4 Ų | 59.4 | 10% | 0.097 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.9 | -37.1 | 177.8 | -68.9 | 161.4 | 0 | 0 | 0 | 111.6 | I10 N11 G16 L39 D64 R66 R162 | I10-I14 HydrophobicContact CG2-CD1 3.57Å; I10-I14 HydrophobicContact CG2-CG1 4.44Å; I10-I14 WeakPolarHBondContact O-CD1 3.27Å; I10-I14 VanDerWaalsContact O-CG1 3.29Å; I10-I14 WeakPolarHBondContact O-CG1 3.36Å; I10-I14 PolarHBondContact O-N 2.85Å; N11-I14 PolarHBondContact O-N 2.75Å; I14-G16 PolarHBondContact O-N 2.97Å; I14-L39 HydrophobicContact CG1-CD1 3.81Å; I14-D64 HydrophobicContact CD1-CB 4.24Å; I14-R66 HydrophobicContact CD1-CB 4.03Å; I14-R66 HydrophobicContact CG2-CB 3.92Å; I14-R162 WeakPolarHBondContact O-CD 3.37Å |
| 15 | A | 86.9 | Confident | 88.4 | Confident | 54 Ų | 54 | 49.4 Ų | 49.4 | 45% | 0.446 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -9.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | N11 A12 L13 H17 | N11-A15 VanDerWaalsContact O-CB 3.3Å; N11-A15 WeakPolarHBondContact O-CB 3.48Å; N11-A15 PolarHBondContact O-N 2.83Å; A12-A15 PolarHBondContact O-N 3.21Å; L13-A15 VanDerWaalsContact C-N 3.32Å; L13-A15 PolarHBondContact O-N 3.05Å; A15-H17 VanDerWaalsContact C-N 3.32Å; A15-H17 PolarHBondContact O-CD2 2.89Å |
| 16 | G | 84.9 | Confident | 89.3 | Confident | 7 Ų | 7 | 47.3 Ų | 47.3 | 7% | 0.072 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 32.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A12 L13 I14 R149 I193 | A12-G16 PolarHBondContact O-N 2.79Å; L13-G16 PolarHBondContact O-N 2.81Å; I14-G16 PolarHBondContact O-N 2.97Å; G16-R149 WeakPolarHBondContact O-CD 3.44Å; G16-R149 PolarHBondContact O-NE 2.68Å; G16-I193 WeakPolarHBondContact O-CD1 3.41Å |
| 17 | H | 88.4 | Confident | 89.8 | Confident | 127 Ų | 127 | 43.6 Ų | 43.6 | 59% | 0.588 | 24% | 0.237 | S | C | * | . | trans | -113.4 | -0.6 | -178.5 | -71.5 | -167.1 | 0 | 0 | 0 | 112.9 | A12 A15 I193 | A12-H17 PolarHBondContact O-N 2.86Å; A15-H17 VanDerWaalsContact C-N 3.32Å; A15-H17 PolarHBondContact O-CD2 2.89Å; H17-I193 HydrophobicContact CB-CD1 4.35Å; H17-I193 WeakPolarHBondContact CD2-CD1 3.47Å | ||
| 18 | F | 88.5 | Confident | 90.1 | Very high | 45 Ų | 45 | 37 Ų | 37 | 20% | 0.197 | 21% | 0.213 | C | C | . | . | trans | -86.4 | 128.1 | -177.3 | -166.9 | -115.9 | 0 | 0 | 0 | 111.9 | V9 A12 L13 D20 V24 | V9-F18 HydrophobicContact CG1-CD2 4.29Å; V9-F18 HydrophobicContact CG1-CE1 4.12Å; V9-F18 HydrophobicContact CG1-CE2 3.83Å; V9-F18 HydrophobicContact CG1-CZ 3.73Å; V9-F18 HydrophobicContact CG2-CE2 4.26Å; A12-F18 HydrophobicContact CB-CB 4.05Å; A12-F18 HydrophobicContact CB-CD2 4.16Å; A12-F18 PolarHBondContact O-N 3.4Å; L13-F18 HydrophobicContact CB-CB 4.28Å; L13-F18 HydrophobicContact CD1-CB 4.06Å; L13-F18 HydrophobicContact CD1-CD1 3.86Å; L13-F18 HydrophobicContact CD1-CG 4.37Å; F18-D20 HydrophobicContact CE1-CB 4.42Å; F18-D20 WeakPolarHBondContact CE1-O 3.4Å; F18-V24 HydrophobicContact CD1-CG2 4.47Å; F18-V24 HydrophobicContact CE1-CB 4.36Å; F18-V24 HydrophobicContact CE1-CG2 3.54Å; F18-V24 HydrophobicContact CZ-CG2 3.94Å | ||
| 19 | A | 83.5 | Confident | 90.3 | Very high | 48 Ų | 48 | 38.9 Ų | 38.9 | 40% | 0.397 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -81.6 | -24.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | P21 R148 | A19-P21 VanDerWaalsContact C-CD 3.46Å; A19-P21 WeakPolarHBondContact O-CD 3.41Å; A19-R148 WeakPolarHBondContact CB-O 3.38Å |
| 20 | D | 89.7 | Confident | 90.2 | Very high | 69 Ų | 69 | 38.6 Ų | 38.6 | 37% | 0.369 | 21% | 0.214 | S | C | . | . | trans | -124.2 | 66 | -174.3 | -173.3 | 0.2 | 0 | 0 | 0 | 111.8 | F18 F22 S23 | F18-D20 HydrophobicContact CE1-CB 4.42Å; F18-D20 WeakPolarHBondContact CE1-O 3.4Å; D20-F22 PolarHBondContact O-N 2.9Å; D20-F22 VanDerWaalsContact O-N 3.13Å; D20-S23 PolarHBondContact O-N 2.86Å; D20-S23 VanDerWaalsContact O-N 3.1Å; D20-S23 PolarHBondContact O-OG 3.2Å; D20-S23 PolarHBondContact OD1-N 2.78Å; D20-S23 WeakPolarHBondContact OD2-CB 3.34Å | ||
| 21 | P | 91.8 | Very high | 90 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -58.5 | -28.2 | -176.1 | 25.8 | -36.1 | 0 | 0 | 0 | 113.1 | L13 A19 S23 V24 L25 Y99 P165 M166 | L13-P21 HydrophobicContact CD1-CB 4.17Å; A19-P21 VanDerWaalsContact C-CD 3.46Å; A19-P21 WeakPolarHBondContact O-CD 3.41Å; P21-S23 VanDerWaalsContact C-N 3.32Å; P21-S23 PolarHBondContact O-N 3.05Å; P21-V24 PolarHBondContact O-N 2.73Å; P21-V24 VanDerWaalsContact O-N 3.14Å; P21-L25 HydrophobicContact CB-CD1 4.3Å; P21-L25 WeakPolarHBondContact O-CB 3.44Å; P21-L25 PolarHBondContact O-N 3.47Å; P21-Y99 HydrophobicContact CB-CD1 4.36Å; P21-Y99 HydrophobicContact CB-CE1 3.72Å; P21-Y99 HydrophobicContact CG-CE1 3.93Å; P21-P165 HydrophobicContact CB-CB 4.39Å; P21-P165 HydrophobicContact CB-CG 4.02Å; P21-P165 HydrophobicContact CG-CB 4.01Å; P21-P165 HydrophobicContact CG-CG 4.15Å; P21-M166 WeakPolarHBondContact CG-O 3.48Å |
| 22 | F | 93 | Very high | 89.6 | Confident | 29 Ų | 29 | 43.6 Ų | 43.6 | 13% | 0.127 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -71.5 | -23.2 | 179.6 | -78.9 | -98.2 | 0 | 0 | 0 | 113.6 | D20 V24 H28 Y99 F101 R167 L177 | D20-F22 PolarHBondContact O-N 2.9Å; D20-F22 VanDerWaalsContact O-N 3.13Å; F22-V24 PolarHBondContact O-N 2.81Å; F22-H28 PolarHBondContact O-CE1 2.98Å; F22-H28 PolarHBondContact O-NE2 2.83Å; F22-Y99 HydrophobicContact CD1-CD1 4.18Å; F22-Y99 AromaticContact CD2-CD1 3.77Å; F22-Y99 HydrophobicContact CD2-CD1 3.77Å; F22-Y99 HydrophobicContact CD2-CE1 4.05Å; F22-Y99 HydrophobicContact CE1-CD1 4.01Å; F22-Y99 AromaticContact CE2-CD1 3.58Å; F22-Y99 HydrophobicContact CE2-CD1 3.58Å; F22-Y99 AromaticContact CE2-CE1 3.73Å; F22-Y99 HydrophobicContact CE2-CE1 3.73Å; F22-Y99 HydrophobicContact CG-CD1 4.08Å; F22-Y99 AromaticContact CZ-CD1 3.73Å; F22-Y99 HydrophobicContact CZ-CD1 3.73Å; F22-Y99 HydrophobicContact CZ-CE1 4.21Å; F22-F101 WeakPolarHBondContact CE1-O 3.21Å; F22-R167 HydrophobicContact CD2-CB 3.5Å; F22-R167 HydrophobicContact CD2-CG 4.13Å; F22-R167 VanDerWaalsContact CE1-NH1 3.33Å; F22-R167 HydrophobicContact CE2-CB 3.56Å; F22-R167 HydrophobicContact CG-CB 4.31Å; F22-R167 HydrophobicContact CZ-CB 4.4Å; F22-L177 HydrophobicContact CE2-CD1 3.96Å; F22-L177 HydrophobicContact CZ-CD1 3.74Å |
| 23 | S | 91 | Very high | 89.5 | Confident | 54 Ų | 54 | 42.7 Ų | 42.7 | 38% | 0.378 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -67.6 | -17.4 | 170.8 | 70 | 0 | 0 | 0 | 0 | 113.4 | D20 P21 H28 | D20-S23 PolarHBondContact O-N 2.86Å; D20-S23 VanDerWaalsContact O-N 3.1Å; D20-S23 PolarHBondContact O-OG 3.2Å; D20-S23 PolarHBondContact OD1-N 2.78Å; D20-S23 WeakPolarHBondContact OD2-CB 3.34Å; P21-S23 VanDerWaalsContact C-N 3.32Å; P21-S23 PolarHBondContact O-N 3.05Å; S23-H28 PolarHBondContact O-CE1 2.92Å; S23-H28 VanDerWaalsContact O-CE1 3.3Å |
| 24 | V | 92.2 | Very high | 89.8 | Confident | 8 Ų | 8 | 42.5 Ų | 42.5 | 5% | 0.048 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | -53.2 | -174 | 176.1 | 0 | 0 | 0 | 0 | 112 | I5 V9 L13 F18 P21 F22 H28 R37 F68 | I5-V24 HydrophobicContact CD1-CG1 3.8Å; V9-V24 HydrophobicContact CG1-CG2 3.58Å; L13-V24 HydrophobicContact CD2-CG1 4.37Å; F18-V24 HydrophobicContact CD1-CG2 4.47Å; F18-V24 HydrophobicContact CE1-CB 4.36Å; F18-V24 HydrophobicContact CE1-CG2 3.54Å; F18-V24 HydrophobicContact CZ-CG2 3.94Å; P21-V24 PolarHBondContact O-N 2.73Å; P21-V24 VanDerWaalsContact O-N 3.14Å; F22-V24 PolarHBondContact O-N 2.81Å; V24-H28 PolarHBondContact O-CD2 3.47Å; V24-H28 PolarHBondContact O-NE2 2.87Å; V24-R37 WeakPolarHBondContact O-CB 3.47Å; V24-R37 WeakPolarHBondContact O-CD 3.37Å; V24-R37 PolarHBondContact O-NH1 2.96Å; V24-F68 HydrophobicContact CG1-CE2 4.02Å; V24-F68 HydrophobicContact CG1-CZ 4.09Å |
| 25 | L | 93.8 | Very high | 90 | Very high | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -81.8 | 160.6 | -175.5 | -63.9 | -178.4 | 0 | 0 | 0 | 112.1 | L13 P21 H28 L39 F68 Y99 | L13-L25 HydrophobicContact CD1-CD1 4.19Å; L13-L25 HydrophobicContact CD1-CG 4.42Å; L13-L25 HydrophobicContact CD2-CD1 4.06Å; L13-L25 HydrophobicContact CD2-CD2 3.67Å; L13-L25 HydrophobicContact CD2-CG 3.88Å; P21-L25 HydrophobicContact CB-CD1 4.3Å; P21-L25 WeakPolarHBondContact O-CB 3.44Å; P21-L25 PolarHBondContact O-N 3.47Å; L25-H28 PolarHBondContact O-NE2 3.13Å; L25-L39 HydrophobicContact CD1-CB 4.35Å; L25-L39 HydrophobicContact CD2-CB 4.12Å; L25-F68 HydrophobicContact CD2-CE2 4.12Å; L25-Y99 HydrophobicContact CB-CD1 4.04Å; L25-Y99 HydrophobicContact CB-CD2 3.8Å; L25-Y99 HydrophobicContact CB-CE2 4.43Å; L25-Y99 HydrophobicContact CB-CG 3.59Å; L25-Y99 HydrophobicContact CD1-CD1 4.37Å; L25-Y99 HydrophobicContact CD1-CD2 3.73Å; L25-Y99 HydrophobicContact CD1-CE1 4.21Å; L25-Y99 HydrophobicContact CD1-CE2 3.52Å; L25-Y99 HydrophobicContact CD1-CG 4.17Å; L25-Y99 HydrophobicContact CG-CD2 4.42Å |
| 26 | G | 94.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 85.4 | -155.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | V36 R37 | G26-V36 WeakPolarHBondContact O-CA 3.34Å; G26-R37 PolarHBondContact N-O 3.24Å; G26-R37 PolarHBondContact O-N 3.04Å |
| 27 | M | 94.6 | Very high | 90.9 | Very high | 20 Ų | 20 | 40.7 Ų | 40.7 | 10% | 0.099 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 129.9 | -176.8 | -170.6 | 177.9 | -72.6 | 0 | 0 | 110.8 | L34 E35 V36 F79 F80 Y82 | M27-L34 HydrophobicContact CG-CB 4.15Å; M27-L34 HydrophobicContact CG-CD2 4.48Å; M27-L34 HydrophobicContact SD-CB 4.22Å; M27-L34 HydrophobicContact SD-CD1 3.76Å; M27-L34 HydrophobicContact SD-CG 4.37Å; M27-E35 CarbonylContact C-O 3.55Å; M27-E35 WeakPolarHBondContact CA-O 3.34Å; M27-V36 HydrophobicContact CB-CG2 4.2Å; M27-V36 HydrophobicContact CE-CG2 3.68Å; M27-V36 HydrophobicContact CG-CG2 4.05Å; M27-F79 HydrophobicContact CB-CD1 4.2Å; M27-F79 HydrophobicContact CB-CE1 4.28Å; M27-F79 HydrophobicContact CG-CD1 3.83Å; M27-F79 HydrophobicContact CG-CE1 3.98Å; M27-F79 VanDerWaalsContact O-CE1 3.32Å; M27-F79 WeakPolarHBondContact O-CE1 3.47Å; M27-F79 HydrophobicContact SD-CD1 3.75Å; M27-F79 HydrophobicContact SD-CE1 4.48Å; M27-F80 HydrophobicContact CE-CD1 3.97Å; M27-F80 HydrophobicContact CE-CE1 3.44Å; M27-F80 VanDerWaalsContact CE-CE1 3.44Å; M27-F80 HydrophobicContact CE-CE2 4.29Å; M27-F80 HydrophobicContact CE-CZ 3.62Å; M27-F80 HydrophobicContact SD-CD1 4.07Å; M27-F80 HydrophobicContact SD-CE1 3.94Å; M27-Y82 HydrophobicContact CB-CE1 3.97Å; M27-Y82 HydrophobicContact CE-CD1 3.31Å; M27-Y82 HydrophobicContact CE-CE1 3.58Å; M27-Y82 HydrophobicContact CE-CG 3.94Å |
| 28 | H | 92.8 | Very high | 91.2 | Very high | 39 Ų | 39 | 34.9 Ų | 34.9 | 18% | 0.181 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 145.5 | -176.3 | -70.9 | -87.4 | 0 | 0 | 0 | 111.2 | F22 S23 V24 L25 L34 E35 | F22-H28 PolarHBondContact O-CE1 2.98Å; F22-H28 PolarHBondContact O-NE2 2.83Å; S23-H28 PolarHBondContact O-CE1 2.92Å; S23-H28 VanDerWaalsContact O-CE1 3.3Å; V24-H28 PolarHBondContact O-CD2 3.47Å; V24-H28 PolarHBondContact O-NE2 2.87Å; L25-H28 PolarHBondContact O-NE2 3.13Å; H28-L34 CarbonylContact O-C 3.56Å; H28-L34 WeakPolarHBondContact O-CA 3.5Å; H28-E35 PolarHBondContact N-O 2.93Å; H28-E35 PolarHBondContact O-N 2.93Å |
| 29 | K | 91.4 | Very high | 91.4 | Very high | 153 Ų | 153 | 33.6 Ų | 33.6 | 67% | 0.665 | 20% | 0.195 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 120 | 175.1 | -169.7 | 177.4 | -177.1 | -179.7 | 0 | 109.6 | L34 F79 | K29-L34 HydrophobicContact CB-CD2 4.26Å; K29-L34 HydrophobicContact CG-CD2 4.43Å; K29-F79 HydrophobicContact CB-CZ 4.21Å |
| 30 | T | 88.9 | Confident | 91.8 | Very high | 29 Ų | 29 | 32.3 Ų | 32.3 | 18% | 0.178 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 175.1 | 178.8 | 73.3 | 0 | 0 | 0 | 0 | 111.3 | A32 G33 E35 | T30-A32 PolarHBondContact O-N 3.36Å; T30-A32 PolarHBondContact OG1-N 2.9Å; T30-G33 PolarHBondContact N-O 3.03Å; T30-G33 PolarHBondContact O-N 3.33Å; T30-G33 PolarHBondContact OG1-O 2.91Å; T30-G33 VanDerWaalsContact OG1-O 3.13Å; T30-E35 HydrophobicContact CG2-CB 3.93Å; T30-E35 WeakPolarHBondContact CG2-OE2 3.47Å |
| 31 | T | 84.4 | Confident | 91.6 | Very high | 118 Ų | 118 | 29.6 Ų | 29.6 | 72% | 0.724 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -27.5 | 175.3 | 64 | 0 | 0 | 0 | 0 | 112.5 | D3 | D3-T31 PolarHBondContact OD2-OG1 3.41Š|
| 32 | A | 84.1 | Confident | 91.2 | Very high | 58 Ų | 58 | 34.7 Ų | 34.7 | 48% | 0.479 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -7.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | T30 V72 | T30-A32 PolarHBondContact O-N 3.36Å; T30-A32 PolarHBondContact OG1-N 2.9Å; A32-V72 HydrophobicContact CB-CG1 4.05Å; A32-V72 WeakPolarHBondContact O-CG1 3.44Å |
| 33 | G | 87.7 | Confident | 91.1 | Very high | 10 Ų | 10 | 34 Ų | 34 | 10% | 0.103 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 135.1 | -153 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T30 | T30-G33 PolarHBondContact N-O 3.03Å; T30-G33 PolarHBondContact O-N 3.33Å; T30-G33 PolarHBondContact OG1-O 2.91Å; T30-G33 VanDerWaalsContact OG1-O 3.13Å |
| 34 | L | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 127.3 | 169 | -63.2 | 171.8 | 0 | 0 | 0 | 109.3 | M27 H28 K29 V72 I73 R76 N78 F79 F80 | M27-L34 HydrophobicContact CG-CB 4.15Å; M27-L34 HydrophobicContact CG-CD2 4.48Å; M27-L34 HydrophobicContact SD-CB 4.22Å; M27-L34 HydrophobicContact SD-CD1 3.76Å; M27-L34 HydrophobicContact SD-CG 4.37Å; H28-L34 CarbonylContact O-C 3.56Å; H28-L34 WeakPolarHBondContact O-CA 3.5Å; K29-L34 HydrophobicContact CB-CD2 4.26Å; K29-L34 HydrophobicContact CG-CD2 4.43Å; L34-V72 CarbonylContact O-C 3.58Å; L34-I73 PolarHBondContact O-N 2.98Å; L34-R76 HydrophobicContact CD1-CB 3.78Å; L34-R76 HydrophobicContact CG-CB 4.45Å; L34-R76 PolarHBondContact N-O 3.15Å; L34-N78 WeakPolarHBondContact CD1-O 2.88Å; L34-F79 HydrophobicContact CD2-CD1 4.24Å; L34-F79 HydrophobicContact CD2-CE1 4.12Å; L34-F80 HydrophobicContact CD1-CD1 3.99Å; L34-F80 HydrophobicContact CD1-CE1 3.97Å |
| 35 | E | 94.4 | Very high | 91.3 | Very high | 20 Ų | 20 | 37.7 Ų | 37.7 | 9% | 0.093 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 134 | 175.1 | -169.9 | -173.9 | 164 | 0 | 0 | 109.1 | M27 H28 T30 R37 S70 G71 V72 | M27-E35 CarbonylContact C-O 3.55Å; M27-E35 WeakPolarHBondContact CA-O 3.34Å; H28-E35 PolarHBondContact N-O 2.93Å; H28-E35 PolarHBondContact O-N 2.93Å; T30-E35 HydrophobicContact CG2-CB 3.93Å; T30-E35 WeakPolarHBondContact CG2-OE2 3.47Å; E35-R37 HydrophobicContact CG-CG 4.21Å; E35-R37 IonicContact OE1-CZ 2.82Å; E35-R37 IonicContact OE1-NE 3.52Å; E35-R37 PolarHBondContact OE1-NE 3.18Å; E35-R37 IonicContact OE1-NH2 3.87Å; E35-R37 IonicContact OE2-CZ 2.77Å; E35-R37 IonicContact OE2-NE 3.93Å; E35-R37 PolarHBondContact OE2-NE 3.39Å; E35-R37 IonicContact OE2-NH2 3.79Å; E35-R37 PolarHBondContact OE2-NH2 3.35Å; E35-S70 WeakPolarHBondContact CG-OG 3.19Å; E35-S70 PolarHBondContact OE1-OG 2.84Å; E35-G71 WeakPolarHBondContact CA-O 3.44Å; E35-V72 HydrophobicContact CB-CG2 4.29Å; E35-V72 HydrophobicContact CG-CG2 4.09Å |
| 36 | V | 95.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 130.9 | 173.5 | 175.8 | 0 | 0 | 0 | 0 | 108.6 | G26 M27 V48 L60 S70 G71 I73 Y82 L84 | G26-V36 WeakPolarHBondContact O-CA 3.34Å; M27-V36 HydrophobicContact CB-CG2 4.2Å; M27-V36 HydrophobicContact CE-CG2 3.68Å; M27-V36 HydrophobicContact CG-CG2 4.05Å; V36-V48 HydrophobicContact CB-CG2 3.93Å; V36-V48 HydrophobicContact CG1-CG2 4Å; V36-V48 HydrophobicContact CG2-CG2 4.06Å; V36-L60 HydrophobicContact CB-CD2 4.18Å; V36-L60 HydrophobicContact CG1-CD1 4.22Å; V36-L60 HydrophobicContact CG1-CD2 4.47Å; V36-S70 WeakPolarHBondContact O-CA 3.42Å; V36-G71 PolarHBondContact N-O 3.23Å; V36-G71 PolarHBondContact O-N 2.86Å; V36-I73 HydrophobicContact CG2-CD1 4.09Å; V36-Y82 HydrophobicContact CG1-CE2 3.66Å; V36-Y82 HydrophobicContact CG2-CE2 4.34Å; V36-L84 HydrophobicContact CG1-CD2 4.25Å |
| 37 | R | 95.2 | Very high | 91.5 | Very high | 22 Ų | 22 | 40.5 Ų | 40.5 | 8% | 0.083 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 134 | -177.8 | -62.1 | 156.3 | -179 | 167.5 | 5.3 | 110.1 | I5 V24 G26 E35 F68 F69 | I5-R37 VanDerWaalsContact CD1-CD 3.45Å; I5-R37 HydrophobicContact CD1-CG 4.41Å; I5-R37 VanDerWaalsContact CD1-NE 3.27Å; V24-R37 WeakPolarHBondContact O-CB 3.47Å; V24-R37 WeakPolarHBondContact O-CD 3.37Å; V24-R37 PolarHBondContact O-NH1 2.96Å; G26-R37 PolarHBondContact N-O 3.24Å; G26-R37 PolarHBondContact O-N 3.04Å; E35-R37 HydrophobicContact CG-CG 4.21Å; E35-R37 IonicContact OE1-CZ 2.82Å; E35-R37 IonicContact OE1-NE 3.52Å; E35-R37 PolarHBondContact OE1-NE 3.18Å; E35-R37 IonicContact OE1-NH2 3.87Å; E35-R37 IonicContact OE2-CZ 2.77Å; E35-R37 IonicContact OE2-NE 3.93Å; E35-R37 PolarHBondContact OE2-NE 3.39Å; E35-R37 IonicContact OE2-NH2 3.79Å; E35-R37 PolarHBondContact OE2-NH2 3.35Å; R37-F68 HydrophobicContact CB-CZ 4.38Å; R37-F69 CarbonylContact C-O 3.34Å; R37-F69 VanDerWaalsContact CA-O 3.27Å; R37-F69 WeakPolarHBondContact CA-O 3.43Å |
| 38 | A | 94.4 | Very high | 91.6 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 139.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L40 L60 F69 L84 | A38-L40 HydrophobicContact CB-CD1 3.96Å; A38-L40 HydrophobicContact CB-CG 4.09Å; A38-L60 HydrophobicContact CB-CD1 4.41Å; A38-F69 PolarHBondContact N-O 2.98Å; A38-F69 PolarHBondContact O-N 2.98Å; A38-L84 HydrophobicContact CB-CD1 3.89Å |
| 39 | L | 92.7 | Very high | 91.7 | Very high | 19 Ų | 19 | 38.1 Ų | 38.1 | 10% | 0.099 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 105 | 168 | 177.8 | 62.4 | 0 | 0 | 0 | 108.6 | L13 I14 L25 G67 | L13-L39 HydrophobicContact CD2-CB 4.1Å; L13-L39 HydrophobicContact CD2-CD2 4.05Å; L13-L39 HydrophobicContact CG-CD2 3.87Å; I14-L39 HydrophobicContact CG1-CD1 3.81Å; L25-L39 HydrophobicContact CD1-CB 4.35Å; L25-L39 HydrophobicContact CD2-CB 4.12Å; L39-G67 CarbonylContact C-O 3.49Å; L39-G67 WeakPolarHBondContact CA-O 3.49Å |
| 40 | L | 91 | Very high | 91.7 | Very high | 20 Ų | 20 | 32.7 Ų | 32.7 | 11% | 0.105 | 19% | 0.189 | C | C | . | . | trans | -129.4 | 85.7 | -176.6 | -63.2 | 168.6 | 0 | 0 | 0 | 108.5 | A38 A43 V46 G67 F69 L84 V86 W88 I95 | A38-L40 HydrophobicContact CB-CD1 3.96Å; A38-L40 HydrophobicContact CB-CG 4.09Å; L40-A43 HydrophobicContact CB-CB 3.81Å; L40-A43 VanDerWaalsContact O-CB 3.32Å; L40-A43 WeakPolarHBondContact O-CB 3.4Å; L40-A43 PolarHBondContact O-N 3Å; L40-V46 HydrophobicContact CD1-CG1 4.01Å; L40-V46 HydrophobicContact CD1-CG2 3.85Å; L40-G67 PolarHBondContact N-O 2.92Å; L40-G67 WeakPolarHBondContact O-CA 3.36Å; L40-F69 HydrophobicContact CB-CD2 4.38Å; L40-F69 HydrophobicContact CB-CE2 4.32Å; L40-L84 HydrophobicContact CD1-CD1 4.17Å; L40-V86 HydrophobicContact CD1-CB 4.46Å; L40-V86 HydrophobicContact CD1-CG1 3.99Å; L40-V86 HydrophobicContact CD1-CG2 3.57Å; L40-W88 HydrophobicContact CB-CZ2 4.15Å; L40-W88 HydrophobicContact CD2-CH2 4.1Å; L40-W88 HydrophobicContact CD2-CZ2 3.86Å; L40-W88 HydrophobicContact CG-CZ2 4.49Å; L40-I95 HydrophobicContact CD2-CD1 3.95Å | ||
| 41 | P | 86.1 | Confident | 91.7 | Very high | 13 Ų | 13 | 33.3 Ų | 33.3 | 8% | 0.084 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 142.7 | 176.3 | -25.6 | 35 | 0 | 0 | 0 | 111.3 | A43 W88 | P41-A43 PolarHBondContact O-N 2.97Å; P41-W88 PolarHBondContact O-NE1 3.48Å |
| 42 | D | 84.1 | Confident | 91.7 | Very high | 107 Ų | 107 | 37.5 Ų | 37.5 | 57% | 0.572 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 2.9 | 179.5 | -49.2 | -50.8 | 0 | 0 | 0 | 116.4 | W88 | D42-W88 VanDerWaalsContact C-CD1 3.41Š|
| 43 | A | 90.7 | Very high | 92 | Very high | 13 Ų | 13 | 39 Ų | 39 | 11% | 0.107 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 143.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | L40 P41 V46 F69 V86 | L40-A43 HydrophobicContact CB-CB 3.81Å; L40-A43 VanDerWaalsContact O-CB 3.32Å; L40-A43 WeakPolarHBondContact O-CB 3.4Å; L40-A43 PolarHBondContact O-N 3Å; P41-A43 PolarHBondContact O-N 2.97Å; A43-V46 HydrophobicContact CB-CG2 4.2Å; A43-F69 HydrophobicContact CB-CE2 3.87Å; A43-F69 HydrophobicContact CB-CZ 3.98Å; A43-F69 WeakPolarHBondContact O-CZ 3.44Å; A43-V86 HydrophobicContact CB-CG1 3.58Å |
| 44 | T | 92.1 | Very high | 91.9 | Very high | 98 Ų | 98 | 41 Ų | 41 | 60% | 0.601 | 23% | 0.226 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -109.3 | -27.9 | 180 | 53.1 | 0 | 0 | 0 | 0 | 113.4 | V87 | T44-V87 PolarHBondContact N-O 3.47Å; T44-V87 PolarHBondContact OG1-O 2.77Å |
| 45 | D | 94.2 | Very high | 91.7 | Very high | 42 Ų | 42 | 48.9 Ų | 48.9 | 23% | 0.225 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 132.7 | -178.4 | -151.8 | -96.7 | 0 | 0 | 0 | 109.4 | W47 K59 V86 V87 | D45-W47 PolarHBondContact OD1-NE1 2.82Å; D45-K59 IonicContact OD1-NZ 3.02Å; D45-K59 WeakPolarHBondContact OD2-CE 3.18Å; D45-K59 IonicContact OD2-NZ 3.99Å; D45-K59 PolarHBondContact OD2-NZ 2.87Å; D45-V86 WeakPolarHBondContact O-CA 3.45Å; D45-V87 HydrophobicContact CB-CB 4.02Å; D45-V87 HydrophobicContact CB-CG2 3.94Å; D45-V87 PolarHBondContact O-N 3.25Å |
| 46 | V | 96.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 128.4 | -177.5 | -173 | 0 | 0 | 0 | 0 | 110.5 | L40 A43 L60 F69 L84 A85 V86 | L40-V46 HydrophobicContact CD1-CG1 4.01Å; L40-V46 HydrophobicContact CD1-CG2 3.85Å; A43-V46 HydrophobicContact CB-CG2 4.2Å; V46-L60 HydrophobicContact CB-CB 4.24Å; V46-L60 HydrophobicContact CB-CD1 4.33Å; V46-L60 HydrophobicContact CB-CG 4.42Å; V46-L60 HydrophobicContact CG1-CB 4.42Å; V46-L60 HydrophobicContact CG1-CD1 3.64Å; V46-L60 HydrophobicContact CG1-CG 4.07Å; V46-L60 PolarHBondContact O-N 3.06Å; V46-F69 HydrophobicContact CB-CD1 4.08Å; V46-F69 HydrophobicContact CB-CE1 4.44Å; V46-F69 HydrophobicContact CB-CG 4.27Å; V46-F69 HydrophobicContact CG2-CD1 3.72Å; V46-F69 HydrophobicContact CG2-CD2 3.88Å; V46-F69 HydrophobicContact CG2-CE1 3.75Å; V46-F69 HydrophobicContact CG2-CE2 3.93Å; V46-F69 HydrophobicContact CG2-CG 3.79Å; V46-F69 HydrophobicContact CG2-CZ 3.87Å; V46-L84 HydrophobicContact CG1-CB 4.4Å; V46-L84 HydrophobicContact CG1-CD2 4.16Å; V46-A85 WeakPolarHBondContact CA-O 3.29Å; V46-V86 HydrophobicContact CG1-CG2 4.31Å; V46-V86 HydrophobicContact CG2-CG1 4.26Å |
| 47 | W | 97 | Very high | 91.5 | Very high | 65 Ų | 65 | 54.5 Ų | 54.5 | 25% | 0.246 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 142.2 | 175.8 | -70.2 | 78.2 | 0 | 0 | 0 | 111.9 | D45 I49 K56 A58 K59 L84 A85 | D45-W47 PolarHBondContact OD1-NE1 2.82Å; W47-I49 HydrophobicContact CB-CD1 3.98Å; W47-K56 HydrophobicContact CB-CD 4.45Å; W47-K56 HydrophobicContact CB-CG 4.24Å; W47-K56 HydrophobicContact CD2-CB 4.35Å; W47-K56 HydrophobicContact CD2-CD 3.65Å; W47-K56 HydrophobicContact CD2-CG 4.04Å; W47-K56 HydrophobicContact CE3-CB 3.62Å; W47-K56 HydrophobicContact CE3-CD 3.76Å; W47-K56 HydrophobicContact CE3-CG 3.82Å; W47-K56 HydrophobicContact CG-CD 3.97Å; W47-K56 HydrophobicContact CG-CG 4.23Å; W47-K56 HydrophobicContact CZ3-CB 3.97Å; W47-K56 HydrophobicContact CZ3-CD 4.22Å; W47-K56 HydrophobicContact CZ3-CG 4.47Å; W47-A58 WeakPolarHBondContact CA-O 3.26Å; W47-K59 HydrophobicContact CD2-CB 3.89Å; W47-K59 HydrophobicContact CD2-CG 4.08Å; W47-K59 HydrophobicContact CE3-CB 3.82Å; W47-K59 HydrophobicContact CH2-CB 3.8Å; W47-K59 HydrophobicContact CH2-CD 4.35Å; W47-K59 HydrophobicContact CH2-CG 4.37Å; W47-K59 HydrophobicContact CZ2-CB 3.84Å; W47-K59 HydrophobicContact CZ2-CD 3.72Å; W47-K59 HydrophobicContact CZ2-CG 3.89Å; W47-K59 HydrophobicContact CZ3-CB 3.79Å; W47-L84 CarbonylContact O-C 3.45Å; W47-L84 WeakPolarHBondContact O-CA 3.32Å; W47-A85 HydrophobicContact CB-CB 4.32Å; W47-A85 PolarHBondContact N-O 2.85Å; W47-A85 PolarHBondContact O-N 2.86Å |
| 48 | V | 96.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 124 | 166.8 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | V36 L57 A58 L60 I73 Y82 L84 | V36-V48 HydrophobicContact CB-CG2 3.93Å; V36-V48 HydrophobicContact CG1-CG2 4Å; V36-V48 HydrophobicContact CG2-CG2 4.06Å; V48-L57 HydrophobicContact CG1-CD1 4.5Å; V48-L57 PolarHBondContact O-N 2.94Å; V48-A58 PolarHBondContact N-O 3.03Å; V48-L60 HydrophobicContact CG2-CD2 3.62Å; V48-L60 HydrophobicContact CG2-CG 4.19Å; V48-I73 HydrophobicContact CB-CD1 4.36Å; V48-I73 HydrophobicContact CG1-CD1 3.91Å; V48-I73 HydrophobicContact CG2-CD1 4.46Å; V48-Y82 HydrophobicContact CG1-CD2 3.82Å; V48-Y82 HydrophobicContact CG1-CG 4.06Å; V48-L84 HydrophobicContact CG2-CD2 4.29Å |
| 49 | I | 94.6 | Very high | 91.4 | Very high | 9 Ų | 9 | 59 Ų | 59 | 5% | 0.046 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 138.8 | -177.6 | -51.2 | -59 | 0 | 0 | 0 | 110.3 | W47 P51 R55 K56 Y82 Q83 A85 L94 | W47-I49 HydrophobicContact CB-CD1 3.98Å; I49-P51 WeakPolarHBondContact O-CD 3.5Å; I49-R55 WeakPolarHBondContact CA-O 3.49Å; I49-K56 HydrophobicContact CD1-CB 4.17Å; I49-K56 HydrophobicContact CD1-CD 4.42Å; I49-K56 HydrophobicContact CD1-CG 3.31Å; I49-Y82 WeakPolarHBondContact O-CA 3.39Å; I49-Q83 PolarHBondContact N-O 3.4Å; I49-Q83 PolarHBondContact O-N 3.36Å; I49-A85 HydrophobicContact CD1-CB 3.91Å; I49-A85 HydrophobicContact CG1-CB 3.64Å; I49-L94 HydrophobicContact CB-CD2 4.41Å; I49-L94 HydrophobicContact CG1-CD2 4.03Å; I49-L94 HydrophobicContact CG2-CD2 4.5Å |
| 50 | E | 91.8 | Very high | 91.5 | Very high | 39 Ų | 39 | 58.2 Ų | 58.2 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 113.4 | 166.8 | -171.9 | 175.8 | -116.1 | 0 | 0 | 110 | K52 T53 G54 R55 L57 R76 | E50-K52 VanDerWaalsContact C-N 3.3Å; E50-K52 PolarHBondContact O-N 3.45Å; E50-T53 PolarHBondContact O-N 3.47Å; E50-T53 VanDerWaalsContact OE2-CG2 3.27Å; E50-T53 WeakPolarHBondContact OE2-CG2 3.4Å; E50-T53 PolarHBondContact OE2-OG1 3.18Å; E50-G54 PolarHBondContact O-N 2.79Å; E50-R55 PolarHBondContact N-O 3.26Å; E50-L57 HydrophobicContact CB-CD1 4.05Å; E50-L57 HydrophobicContact CB-CD2 4.35Å; E50-L57 HydrophobicContact CB-CG 4.2Å; E50-R76 IonicContact OE1-CZ 3.67Å; E50-R76 IonicContact OE1-NH2 2.8Å; E50-R76 PolarHBondContact OE1-NH2 3.04Å |
| 51 | P | 87.4 | Confident | 91.7 | Very high | 41 Ų | 41 | 63.8 Ų | 63.8 | 27% | 0.266 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -33.8 | -168.6 | -27.2 | 37 | 0 | 0 | 0 | 113.9 | I49 T53 R81 Q83 | I49-P51 WeakPolarHBondContact O-CD 3.5Å; P51-T53 VanDerWaalsContact C-N 3.32Å; P51-T53 PolarHBondContact O-N 3.26Å; P51-R81 WeakPolarHBondContact CD-O 3.37Å; P51-R81 HydrophobicContact CG-CG 4.25Å; P51-Q83 HydrophobicContact CG-CB 4.34Å; P51-Q83 HydrophobicContact CG-CG 3.89Å |
| 52 | K | 85.6 | Confident | 92 | Very high | 207 Ų | 207 | 66 Ų | 66 | 90% | 0.9 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -29.8 | -178.9 | -69.8 | -173.7 | 177.4 | -177.8 | 0 | 113.5 | E50 | E50-K52 VanDerWaalsContact C-N 3.3Å; E50-K52 PolarHBondContact O-N 3.45Å |
| 53 | T | 89.2 | Confident | 92.4 | Very high | 89 Ų | 89 | 65.3 Ų | 65.3 | 55% | 0.546 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | -13.4 | -172.5 | 63.2 | 0 | 0 | 0 | 0 | 113.1 | E50 P51 R55 | E50-T53 PolarHBondContact O-N 3.47Å; E50-T53 VanDerWaalsContact OE2-CG2 3.27Å; E50-T53 WeakPolarHBondContact OE2-CG2 3.4Å; E50-T53 PolarHBondContact OE2-OG1 3.18Å; P51-T53 VanDerWaalsContact C-N 3.32Å; P51-T53 PolarHBondContact O-N 3.26Å; T53-R55 PolarHBondContact O-N 3.2Å; T53-R55 VanDerWaalsContact OG1-CB 3.28Å; T53-R55 WeakPolarHBondContact OG1-CB 3.32Å; T53-R55 PolarHBondContact OG1-N 2.86Å |
| 54 | G | 86.3 | Confident | 92.4 | Very high | 53 Ų | 53 | 65.3 Ų | 65.3 | 55% | 0.546 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | E50 K56 | E50-G54 PolarHBondContact O-N 2.79Å; G54-K56 PolarHBondContact O-N 2.65Å |
| 55 | R | 90.7 | Very high | 92.2 | Very high | 165 Ų | 165 | 66.2 Ų | 66.2 | 62% | 0.623 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 128.8 | -174 | -174.4 | 179.4 | 176.6 | 174.5 | 2.9 | 111.1 | I49 E50 T53 L57 | I49-R55 WeakPolarHBondContact CA-O 3.49Å; E50-R55 PolarHBondContact N-O 3.26Å; T53-R55 PolarHBondContact O-N 3.2Å; T53-R55 VanDerWaalsContact OG1-CB 3.28Å; T53-R55 WeakPolarHBondContact OG1-CB 3.32Å; T53-R55 PolarHBondContact OG1-N 2.86Å; R55-L57 HydrophobicContact CG-CD2 4.45Å; R55-L57 PolarHBondContact O-N 2.88Å |
| 56 | K | 92.3 | Very high | 92 | Very high | 94 Ų | 94 | 69.4 Ų | 69.4 | 41% | 0.409 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 112.1 | 166.1 | -78.3 | 178.9 | 177.3 | -161.3 | 0 | 110.1 | W47 I49 G54 | W47-K56 HydrophobicContact CB-CD 4.45Å; W47-K56 HydrophobicContact CB-CG 4.24Å; W47-K56 HydrophobicContact CD2-CB 4.35Å; W47-K56 HydrophobicContact CD2-CD 3.65Å; W47-K56 HydrophobicContact CD2-CG 4.04Å; W47-K56 HydrophobicContact CE3-CB 3.62Å; W47-K56 HydrophobicContact CE3-CD 3.76Å; W47-K56 HydrophobicContact CE3-CG 3.82Å; W47-K56 HydrophobicContact CG-CD 3.97Å; W47-K56 HydrophobicContact CG-CG 4.23Å; W47-K56 HydrophobicContact CZ3-CB 3.97Å; W47-K56 HydrophobicContact CZ3-CD 4.22Å; W47-K56 HydrophobicContact CZ3-CG 4.47Å; I49-K56 HydrophobicContact CD1-CB 4.17Å; I49-K56 HydrophobicContact CD1-CD 4.42Å; I49-K56 HydrophobicContact CD1-CG 3.31Å; G54-K56 PolarHBondContact O-N 2.65Å |
| 57 | L | 92 | Very high | 91.7 | Very high | 43 Ų | 43 | 69.5 Ų | 69.5 | 23% | 0.225 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -43.6 | -177.2 | -64.4 | -177.8 | 0 | 0 | 0 | 112.6 | V48 E50 R55 F80 | V48-L57 HydrophobicContact CG1-CD1 4.5Å; V48-L57 PolarHBondContact O-N 2.94Å; E50-L57 HydrophobicContact CB-CD1 4.05Å; E50-L57 HydrophobicContact CB-CD2 4.35Å; E50-L57 HydrophobicContact CB-CG 4.2Å; R55-L57 HydrophobicContact CG-CD2 4.45Å; R55-L57 PolarHBondContact O-N 2.88Å; L57-F80 HydrophobicContact CD1-CD2 4.46Å; L57-F80 HydrophobicContact CD1-CE2 3.34Å; L57-F80 HydrophobicContact CD1-CZ 3.46Å; L57-F80 VanDerWaalsContact CD1-CZ 3.46Å |
| 58 | A | 92.9 | Very high | 91.6 | Very high | 12 Ų | 12 | 66.5 Ų | 66.5 | 10% | 0.099 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 146.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | W47 V48 I73 | W47-A58 WeakPolarHBondContact CA-O 3.26Å; V48-A58 PolarHBondContact N-O 3.03Å; A58-I73 HydrophobicContact CB-CG1 3.86Å |
| 59 | K | 95.1 | Very high | 91.5 | Very high | 110 Ų | 110 | 66.7 Ų | 66.7 | 48% | 0.478 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 135.3 | 166.5 | -169.4 | 177.4 | -174.3 | 174.5 | 0 | 108 | D45 W47 | D45-K59 IonicContact OD1-NZ 3.02Å; D45-K59 WeakPolarHBondContact OD2-CE 3.18Å; D45-K59 IonicContact OD2-NZ 3.99Å; D45-K59 PolarHBondContact OD2-NZ 2.87Å; W47-K59 HydrophobicContact CD2-CB 3.89Å; W47-K59 HydrophobicContact CD2-CG 4.08Å; W47-K59 HydrophobicContact CE3-CB 3.82Å; W47-K59 HydrophobicContact CH2-CB 3.8Å; W47-K59 HydrophobicContact CH2-CD 4.35Å; W47-K59 HydrophobicContact CH2-CG 4.37Å; W47-K59 HydrophobicContact CZ2-CB 3.84Å; W47-K59 HydrophobicContact CZ2-CD 3.72Å; W47-K59 HydrophobicContact CZ2-CG 3.89Å; W47-K59 HydrophobicContact CZ3-CB 3.79Å |
| 60 | L | 95.8 | Very high | 91.5 | Very high | 3 Ų | 3 | 66.7 Ų | 66.7 | 2% | 0.016 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 131.8 | 172.3 | -50.3 | -172.3 | 0 | 0 | 0 | 109.3 | V36 A38 V46 V48 F69 S70 L84 | V36-L60 HydrophobicContact CB-CD2 4.18Å; V36-L60 HydrophobicContact CG1-CD1 4.22Å; V36-L60 HydrophobicContact CG1-CD2 4.47Å; A38-L60 HydrophobicContact CB-CD1 4.41Å; V46-L60 HydrophobicContact CB-CB 4.24Å; V46-L60 HydrophobicContact CB-CD1 4.33Å; V46-L60 HydrophobicContact CB-CG 4.42Å; V46-L60 HydrophobicContact CG1-CB 4.42Å; V46-L60 HydrophobicContact CG1-CD1 3.64Å; V46-L60 HydrophobicContact CG1-CG 4.07Å; V46-L60 PolarHBondContact O-N 3.06Å; V48-L60 HydrophobicContact CG2-CD2 3.62Å; V48-L60 HydrophobicContact CG2-CG 4.19Å; L60-F69 HydrophobicContact CB-CB 3.82Å; L60-F69 HydrophobicContact CB-CD1 4.47Å; L60-F69 HydrophobicContact CD1-CB 4.08Å; L60-S70 CarbonylContact C-O 3.52Å; L60-S70 WeakPolarHBondContact CA-O 3.28Å; L60-L84 HydrophobicContact CD1-CD2 4.21Å |
| 61 | E | 93.9 | Very high | 91.6 | Very high | 136 Ų | 136 | 65.4 Ų | 65.4 | 64% | 0.636 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 136.3 | 172.5 | -174.3 | 178.2 | -178 | 0 | 0 | 109.5 | L63 F69 S70 | E61-L63 HydrophobicContact CB-CD2 4.29Å; E61-L63 HydrophobicContact CG-CD2 3.99Å; E61-L63 PolarHBondContact O-N 3.44Å; E61-F69 CarbonylContact O-C 3.46Å; E61-F69 VanDerWaalsContact O-CA 3.26Å; E61-F69 WeakPolarHBondContact O-CA 3.44Å; E61-S70 PolarHBondContact N-O 2.74Å; E61-S70 PolarHBondContact O-N 3.31Å |
| 62 | C | 93.5 | Very high | 91.8 | Very high | 60 Ų | 60 | 66 Ų | 66 | 41% | 0.405 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 101.2 | 172.1 | -171 | 0 | 0 | 0 | 0 | 108.7 | D64 F69 | C62-D64 PolarHBondContact SG-O 3.32Å; C62-F69 HydrophobicContact CB-CD1 3.88Å; C62-F69 HydrophobicContact CB-CE1 3.55Å; C62-F69 HydrophobicContact CB-CZ 4.19Å |
| 63 | L | 91.1 | Very high | 92.1 | Very high | 92 Ų | 92 | 56.6 Ų | 56.6 | 48% | 0.482 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -20.8 | -179.3 | -59.9 | -176.7 | 0 | 0 | 0 | 112.4 | E61 F68 | E61-L63 HydrophobicContact CB-CD2 4.29Å; E61-L63 HydrophobicContact CG-CD2 3.99Å; E61-L63 PolarHBondContact O-N 3.44Å; L63-F68 HydrophobicContact CB-CD1 4.23Å; L63-F68 HydrophobicContact CD1-CE1 4.37Å; L63-F68 PolarHBondContact N-O 2.86Å |
| 64 | D | 91.2 | Very high | 91.8 | Very high | 14 Ų | 14 | 57 Ų | 57 | 8% | 0.075 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 128.5 | 171.7 | -166.7 | -65.9 | 0 | 0 | 0 | 110.2 | I10 I14 C62 R66 G67 F68 | I10-D64 HydrophobicContact CG2-CB 4.19Å; I14-D64 HydrophobicContact CD1-CB 4.24Å; C62-D64 PolarHBondContact SG-O 3.32Å; D64-R66 PolarHBondContact O-N 2.86Å; D64-R66 VanDerWaalsContact OD1-CB 3.31Å; D64-R66 WeakPolarHBondContact OD1-CB 3.38Å; D64-R66 WeakPolarHBondContact OD1-CG 3.34Å; D64-R66 IonicContact OD1-CZ 3.67Å; D64-R66 PolarHBondContact OD1-N 2.61Å; D64-R66 IonicContact OD1-NE 2.86Å; D64-R66 PolarHBondContact OD1-NE 2.81Å; D64-R66 IonicContact OD1-NH2 3.59Å; D64-R66 IonicContact OD2-CZ 3.42Å; D64-R66 IonicContact OD2-NE 3.32Å; D64-R66 IonicContact OD2-NH2 2.74Å; D64-R66 PolarHBondContact OD2-NH2 3.22Å; D64-G67 PolarHBondContact O-N 2.72Å; D64-F68 HydrophobicContact CB-CB 3.99Å; D64-F68 PolarHBondContact N-O 2.99Å; D64-F68 PolarHBondContact O-N 3.43Å |
| 65 | S | 89.4 | Confident | 91.6 | Very high | 117 Ų | 117 | 65.8 Ų | 65.8 | 82% | 0.818 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -13.8 | -176 | 56.3 | 0 | 0 | 0 | 0 | 114.4 | G67 | S65-G67 PolarHBondContact O-N 2.76Š|
| 66 | R | 89.6 | Confident | 91.2 | Very high | 109 Ų | 109 | 62.3 Ų | 62.3 | 41% | 0.411 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 3.8 | 173.7 | -62.3 | 169.3 | -67.8 | 171.3 | -1 | 113 | N11 I14 D64 | N11-R66 PolarHBondContact OD1-NH1 3.05Å; N11-R66 PolarHBondContact OD1-NH2 3.03Å; I14-R66 HydrophobicContact CD1-CB 4.03Å; I14-R66 HydrophobicContact CG2-CB 3.92Å; D64-R66 PolarHBondContact O-N 2.86Å; D64-R66 VanDerWaalsContact OD1-CB 3.31Å; D64-R66 WeakPolarHBondContact OD1-CB 3.38Å; D64-R66 WeakPolarHBondContact OD1-CG 3.34Å; D64-R66 IonicContact OD1-CZ 3.67Å; D64-R66 PolarHBondContact OD1-N 2.61Å; D64-R66 IonicContact OD1-NE 2.86Å; D64-R66 PolarHBondContact OD1-NE 2.81Å; D64-R66 IonicContact OD1-NH2 3.59Å; D64-R66 IonicContact OD2-CZ 3.42Å; D64-R66 IonicContact OD2-NE 3.32Å; D64-R66 IonicContact OD2-NH2 2.74Å; D64-R66 PolarHBondContact OD2-NH2 3.22Å |
| 67 | G | 90 | Very high | 90.7 | Very high | 2 Ų | 2 | 65.9 Ų | 65.9 | 2% | 0.021 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 111.7 | 20.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L39 L40 D64 S65 F69 | L39-G67 CarbonylContact C-O 3.49Å; L39-G67 WeakPolarHBondContact CA-O 3.49Å; L40-G67 PolarHBondContact N-O 2.92Å; L40-G67 WeakPolarHBondContact O-CA 3.36Å; D64-G67 PolarHBondContact O-N 2.72Å; S65-G67 PolarHBondContact O-N 2.76Å; G67-F69 WeakPolarHBondContact O-CD2 3.48Å; G67-F69 WeakPolarHBondContact O-CE2 3.45Å |
| 68 | F | 93.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 70 Ų | 70 | 0% | 0.004 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 121 | 175.3 | -171.4 | -93.2 | 0 | 0 | 0 | 110.8 | I5 I10 L13 V24 L25 R37 L63 D64 | I5-F68 HydrophobicContact CD1-CZ 3.99Å; I10-F68 HydrophobicContact CD1-CD1 3.99Å; I10-F68 HydrophobicContact CD1-CE1 3.91Å; I10-F68 HydrophobicContact CD1-CZ 4.5Å; I10-F68 HydrophobicContact CG1-CD1 4.2Å; I10-F68 HydrophobicContact CG1-CE1 4.06Å; I10-F68 HydrophobicContact CG1-CE2 4.44Å; I10-F68 HydrophobicContact CG1-CG 4.46Å; I10-F68 HydrophobicContact CG1-CZ 4.19Å; I10-F68 HydrophobicContact CG2-CB 4.11Å; I10-F68 HydrophobicContact CG2-CD1 4.36Å; I10-F68 HydrophobicContact CG2-CD2 4.39Å; I10-F68 HydrophobicContact CG2-CG 4.03Å; L13-F68 HydrophobicContact CD2-CD2 3.98Å; L13-F68 HydrophobicContact CD2-CE2 3.81Å; V24-F68 HydrophobicContact CG1-CE2 4.02Å; V24-F68 HydrophobicContact CG1-CZ 4.09Å; L25-F68 HydrophobicContact CD2-CE2 4.12Å; R37-F68 HydrophobicContact CB-CZ 4.38Å; L63-F68 HydrophobicContact CB-CD1 4.23Å; L63-F68 HydrophobicContact CD1-CE1 4.37Å; L63-F68 PolarHBondContact N-O 2.86Å; D64-F68 HydrophobicContact CB-CB 3.99Å; D64-F68 PolarHBondContact N-O 2.99Å; D64-F68 PolarHBondContact O-N 3.43Å |
| 69 | F | 95.2 | Very high | 90.4 | Very high | 4 Ų | 4 | 75.7 Ų | 75.7 | 2% | 0.018 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 141.6 | -176.1 | -65.2 | -93.7 | 0 | 0 | 0 | 111.4 | R37 A38 L40 A43 V46 L60 E61 C62 G67 | R37-F69 CarbonylContact C-O 3.34Å; R37-F69 VanDerWaalsContact CA-O 3.27Å; R37-F69 WeakPolarHBondContact CA-O 3.43Å; A38-F69 PolarHBondContact N-O 2.98Å; A38-F69 PolarHBondContact O-N 2.98Å; L40-F69 HydrophobicContact CB-CD2 4.38Å; L40-F69 HydrophobicContact CB-CE2 4.32Å; A43-F69 HydrophobicContact CB-CE2 3.87Å; A43-F69 HydrophobicContact CB-CZ 3.98Å; A43-F69 WeakPolarHBondContact O-CZ 3.44Å; V46-F69 HydrophobicContact CB-CD1 4.08Å; V46-F69 HydrophobicContact CB-CE1 4.44Å; V46-F69 HydrophobicContact CB-CG 4.27Å; V46-F69 HydrophobicContact CG2-CD1 3.72Å; V46-F69 HydrophobicContact CG2-CD2 3.88Å; V46-F69 HydrophobicContact CG2-CE1 3.75Å; V46-F69 HydrophobicContact CG2-CE2 3.93Å; V46-F69 HydrophobicContact CG2-CG 3.79Å; V46-F69 HydrophobicContact CG2-CZ 3.87Å; L60-F69 HydrophobicContact CB-CB 3.82Å; L60-F69 HydrophobicContact CB-CD1 4.47Å; L60-F69 HydrophobicContact CD1-CB 4.08Å; E61-F69 CarbonylContact O-C 3.46Å; E61-F69 VanDerWaalsContact O-CA 3.26Å; E61-F69 WeakPolarHBondContact O-CA 3.44Å; C62-F69 HydrophobicContact CB-CD1 3.88Å; C62-F69 HydrophobicContact CB-CE1 3.55Å; C62-F69 HydrophobicContact CB-CZ 4.19Å; G67-F69 WeakPolarHBondContact O-CD2 3.48Å; G67-F69 WeakPolarHBondContact O-CE2 3.45Å |
| 70 | S | 95 | Very high | 90.2 | Very high | 10 Ų | 10 | 72.3 Ų | 72.3 | 7% | 0.07 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 148.1 | 171.3 | 177.8 | 0 | 0 | 0 | 0 | 112.4 | E35 V36 L60 E61 | E35-S70 WeakPolarHBondContact CG-OG 3.19Å; E35-S70 PolarHBondContact OE1-OG 2.84Å; V36-S70 WeakPolarHBondContact O-CA 3.42Å; L60-S70 CarbonylContact C-O 3.52Å; L60-S70 WeakPolarHBondContact CA-O 3.28Å; E61-S70 PolarHBondContact N-O 2.74Å; E61-S70 PolarHBondContact O-N 3.31Å |
| 71 | G | 93.3 | Very high | 89.9 | Confident | 11 Ų | 11 | 76.7 Ų | 76.7 | 11% | 0.113 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 139.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | E35 V36 | E35-G71 WeakPolarHBondContact CA-O 3.44Å; V36-G71 PolarHBondContact N-O 3.23Å; V36-G71 PolarHBondContact O-N 2.86Å |
| 72 | V | 91.9 | Very high | 89.9 | Confident | 55 Ų | 55 | 70.3 Ų | 70.3 | 33% | 0.333 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 142.7 | 179.3 | -178 | 0 | 0 | 0 | 0 | 110.6 | A32 L34 E35 P74 | A32-V72 HydrophobicContact CB-CG1 4.05Å; A32-V72 WeakPolarHBondContact O-CG1 3.44Å; L34-V72 CarbonylContact O-C 3.58Å; E35-V72 HydrophobicContact CB-CG2 4.29Å; E35-V72 HydrophobicContact CG-CG2 4.09Å; V72-P74 HydrophobicContact CG1-CG 4.27Å; V72-P74 WeakPolarHBondContact O-CD 3.27Å |
| 73 | I | 92.7 | Very high | 90 | Very high | 9 Ų | 9 | 69.2 Ų | 69.2 | 5% | 0.046 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 84 | 174.4 | -47.5 | 177.5 | 0 | 0 | 0 | 107.8 | L34 V36 V48 A58 R75 R76 F80 | L34-I73 PolarHBondContact O-N 2.98Å; V36-I73 HydrophobicContact CG2-CD1 4.09Å; V48-I73 HydrophobicContact CB-CD1 4.36Å; V48-I73 HydrophobicContact CG1-CD1 3.91Å; V48-I73 HydrophobicContact CG2-CD1 4.46Å; A58-I73 HydrophobicContact CB-CG1 3.86Å; I73-R75 PolarHBondContact O-N 3.48Å; I73-R76 HydrophobicContact CG2-CB 4.14Å; I73-R76 HydrophobicContact CG2-CG 3.88Å; I73-R76 PolarHBondContact O-N 3.36Å; I73-F80 HydrophobicContact CD1-CE1 4.14Å; I73-F80 HydrophobicContact CD1-CZ 3.77Å |
| 74 | P | 81.6 | Confident | 90.2 | Very high | 98 Ų | 98 | 64.9 Ų | 64.9 | 64% | 0.636 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -23.9 | -161.9 | -21.1 | 32.6 | 0 | 0 | 0 | 114.3 | V72 | V72-P74 HydrophobicContact CG1-CG 4.27Å; V72-P74 WeakPolarHBondContact O-CD 3.27Å |
| 75 | R | 82.3 | Confident | 90.5 | Very high | 236 Ų | 236 | 64.3 Ų | 64.3 | 89% | 0.891 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -2.6 | -174.3 | -64.6 | -174.7 | 179.7 | 176.2 | 0.6 | 114.2 | I73 | I73-R75 PolarHBondContact O-N 3.48Š|
| 76 | R | 82.3 | Confident | 90.7 | Very high | 93 Ų | 93 | 58.7 Ų | 58.7 | 35% | 0.351 | 27% | 0.268 | S | S | . | . | trans | -113.6 | 136.8 | -178.4 | -67.8 | -75 | -171.3 | 151.6 | 7.4 | 109.9 | L34 E50 I73 F80 | L34-R76 HydrophobicContact CD1-CB 3.78Å; L34-R76 HydrophobicContact CG-CB 4.45Å; L34-R76 PolarHBondContact N-O 3.15Å; E50-R76 IonicContact OE1-CZ 3.67Å; E50-R76 IonicContact OE1-NH2 2.8Å; E50-R76 PolarHBondContact OE1-NH2 3.04Å; I73-R76 HydrophobicContact CG2-CB 4.14Å; I73-R76 HydrophobicContact CG2-CG 3.88Å; I73-R76 PolarHBondContact O-N 3.36Å; R76-F80 HydrophobicContact CB-CE1 4.22Å; R76-F80 HydrophobicContact CG-CD1 4.5Å; R76-F80 HydrophobicContact CG-CE1 4.11Å | ||
| 77 | K | 81.8 | Confident | 91 | Very high | 169 Ų | 169 | 54.8 Ų | 54.8 | 74% | 0.735 | 26% | 0.256 | S | S | * | . | trans | -120 | -19.6 | -179.1 | -65.6 | -171.8 | 177.5 | -174.7 | 0 | 114.4 | ||||
| 78 | N | 88.5 | Confident | 91 | Very high | 130 Ų | 130 | 57.1 Ų | 57.1 | 70% | 0.695 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -111.1 | 138.3 | 179.4 | -61.8 | -19.7 | 0 | 0 | 0 | 109.1 | L34 | L34-N78 WeakPolarHBondContact CD1-O 2.88Š|
| 79 | F | 90.3 | Very high | 90.7 | Very high | 131 Ų | 131 | 65.3 Ų | 65.3 | 58% | 0.575 | 30% | 0.302 | S | S | * | . | trans | -53.3 | 144.1 | 173.6 | -65.9 | -70.2 | 0 | 0 | 0 | 111.1 | M27 K29 L34 | M27-F79 HydrophobicContact CB-CD1 4.2Å; M27-F79 HydrophobicContact CB-CE1 4.28Å; M27-F79 HydrophobicContact CG-CD1 3.83Å; M27-F79 HydrophobicContact CG-CE1 3.98Å; M27-F79 VanDerWaalsContact O-CE1 3.32Å; M27-F79 WeakPolarHBondContact O-CE1 3.47Å; M27-F79 HydrophobicContact SD-CD1 3.75Å; M27-F79 HydrophobicContact SD-CE1 4.48Å; K29-F79 HydrophobicContact CB-CZ 4.21Å; L34-F79 HydrophobicContact CD2-CD1 4.24Å; L34-F79 HydrophobicContact CD2-CE1 4.12Å | ||
| 80 | F | 90.6 | Very high | 90.4 | Very high | 38 Ų | 38 | 68.4 Ų | 68.4 | 17% | 0.167 | 34% | 0.335 | C | S | . | . | trans | -149.7 | 158.1 | -178 | 67.7 | -82.7 | 0 | 0 | 0 | 110.2 | M27 L34 L57 I73 R76 Y82 | M27-F80 HydrophobicContact CE-CD1 3.97Å; M27-F80 HydrophobicContact CE-CE1 3.44Å; M27-F80 VanDerWaalsContact CE-CE1 3.44Å; M27-F80 HydrophobicContact CE-CE2 4.29Å; M27-F80 HydrophobicContact CE-CZ 3.62Å; M27-F80 HydrophobicContact SD-CD1 4.07Å; M27-F80 HydrophobicContact SD-CE1 3.94Å; L34-F80 HydrophobicContact CD1-CD1 3.99Å; L34-F80 HydrophobicContact CD1-CE1 3.97Å; L57-F80 HydrophobicContact CD1-CD2 4.46Å; L57-F80 HydrophobicContact CD1-CE2 3.34Å; L57-F80 HydrophobicContact CD1-CZ 3.46Å; L57-F80 VanDerWaalsContact CD1-CZ 3.46Å; I73-F80 HydrophobicContact CD1-CE1 4.14Å; I73-F80 HydrophobicContact CD1-CZ 3.77Å; R76-F80 HydrophobicContact CB-CE1 4.22Å; R76-F80 HydrophobicContact CG-CD1 4.5Å; R76-F80 HydrophobicContact CG-CE1 4.11Å; F80-Y82 PolarHBondContact O-N 3.41Å | ||
| 81 | R | 90.7 | Very high | 90.2 | Very high | 95 Ų | 95 | 74.7 Ų | 74.7 | 36% | 0.358 | 36% | 0.363 | S | S | . | . | trans | -68.5 | 127.7 | 176 | -177 | 179.1 | 172 | -176.4 | -4.3 | 110.9 | P51 D133 V135 | P51-R81 WeakPolarHBondContact CD-O 3.37Å; P51-R81 HydrophobicContact CG-CG 4.25Å; R81-D133 VanDerWaalsContact CZ-O 3.27Å; R81-D133 PolarHBondContact NH1-O 2.9Å; R81-V135 VanDerWaalsContact NH2-CG2 3.28Å | ||
| 82 | Y | 94 | Very high | 90.2 | Very high | 2 Ų | 2 | 79.2 Ų | 79.2 | 1% | 0.008 | 38% | 0.381 | C | S | . | . | trans | -137.3 | 162.6 | 177.6 | 72.1 | -79.4 | 0 | 0 | 0 | 111.6 | M27 V36 V48 I49 F80 L84 D97 R100 | M27-Y82 HydrophobicContact CB-CE1 3.97Å; M27-Y82 HydrophobicContact CE-CD1 3.31Å; M27-Y82 HydrophobicContact CE-CE1 3.58Å; M27-Y82 HydrophobicContact CE-CG 3.94Å; V36-Y82 HydrophobicContact CG1-CE2 3.66Å; V36-Y82 HydrophobicContact CG2-CE2 4.34Å; V48-Y82 HydrophobicContact CG1-CD2 3.82Å; V48-Y82 HydrophobicContact CG1-CG 4.06Å; I49-Y82 WeakPolarHBondContact O-CA 3.39Å; F80-Y82 PolarHBondContact O-N 3.41Å; Y82-L84 HydrophobicContact CD2-CD2 4.23Å; Y82-L84 HydrophobicContact CE2-CD2 3.98Å; Y82-L84 HydrophobicContact CE2-CG 4.3Å; Y82-D97 HydrophobicContact CE2-CB 3.94Å; Y82-D97 PolarHBondContact OH-OD2 3.21Å; Y82-R100 HydrophobicContact CD1-CB 4.47Å; Y82-R100 HydrophobicContact CE1-CB 3.58Å; Y82-R100 HydrophobicContact CE1-CG 4.48Å | ||
| 83 | Q | 95.5 | Very high | 90.2 | Very high | 37 Ų | 37 | 79.9 Ų | 79.9 | 17% | 0.173 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 161 | 169 | -79.5 | 176.2 | -38 | 0 | 0 | 109.7 | I49 P51 L94 I95 D96 | I49-Q83 PolarHBondContact N-O 3.4Å; I49-Q83 PolarHBondContact O-N 3.36Å; P51-Q83 HydrophobicContact CG-CB 4.34Å; P51-Q83 HydrophobicContact CG-CG 3.89Å; Q83-L94 HydrophobicContact CB-CD2 4.41Å; Q83-I95 CarbonylContact C-O 3.57Å; Q83-I95 WeakPolarHBondContact CA-O 3.37Å; Q83-I95 WeakPolarHBondContact CB-O 3.29Å; Q83-D96 PolarHBondContact NE2-OD2 3.46Å |
| 84 | L | 95.7 | Very high | 90.2 | Very high | 2 Ų | 2 | 84.2 Ų | 84.2 | 1% | 0.01 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 124.7 | 172.3 | -59.5 | 175.8 | 0 | 0 | 0 | 109.1 | V36 A38 L40 V46 W47 V48 L60 Y82 V86 L94 I95 D97 | V36-L84 HydrophobicContact CG1-CD2 4.25Å; A38-L84 HydrophobicContact CB-CD1 3.89Å; L40-L84 HydrophobicContact CD1-CD1 4.17Å; V46-L84 HydrophobicContact CG1-CB 4.4Å; V46-L84 HydrophobicContact CG1-CD2 4.16Å; W47-L84 CarbonylContact O-C 3.45Å; W47-L84 WeakPolarHBondContact O-CA 3.32Å; V48-L84 HydrophobicContact CG2-CD2 4.29Å; L60-L84 HydrophobicContact CD1-CD2 4.21Å; Y82-L84 HydrophobicContact CD2-CD2 4.23Å; Y82-L84 HydrophobicContact CE2-CD2 3.98Å; Y82-L84 HydrophobicContact CE2-CG 4.3Å; L84-V86 HydrophobicContact CB-CG2 3.78Å; L84-L94 WeakPolarHBondContact O-CA 3.45Å; L84-I95 HydrophobicContact CB-CD1 4.41Å; L84-I95 HydrophobicContact CB-CG1 3.86Å; L84-I95 PolarHBondContact N-O 3.26Å; L84-I95 PolarHBondContact O-N 3.19Å; L84-D97 HydrophobicContact CD1-CB 4.14Å; L84-D97 HydrophobicContact CG-CB 4.45Å |
| 85 | A | 96.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 81.8 Ų | 81.8 | 1% | 0.008 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 107.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | V46 W47 I49 Q92 N93 L94 | V46-A85 WeakPolarHBondContact CA-O 3.29Å; W47-A85 HydrophobicContact CB-CB 4.32Å; W47-A85 PolarHBondContact N-O 2.85Å; W47-A85 PolarHBondContact O-N 2.86Å; I49-A85 HydrophobicContact CD1-CB 3.91Å; I49-A85 HydrophobicContact CG1-CB 3.64Å; A85-Q92 HydrophobicContact CB-CG 4.11Å; A85-N93 CarbonylContact C-O 3.57Å; A85-N93 WeakPolarHBondContact CA-O 3.42Å; A85-L94 HydrophobicContact CB-CD2 4.07Å |
| 86 | V | 95 | Very high | 91.3 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 129.8 | -171.3 | -173 | 0 | 0 | 0 | 0 | 110.1 | L40 A43 D45 V46 L84 W88 Q92 N93 I95 | L40-V86 HydrophobicContact CD1-CB 4.46Å; L40-V86 HydrophobicContact CD1-CG1 3.99Å; L40-V86 HydrophobicContact CD1-CG2 3.57Å; A43-V86 HydrophobicContact CB-CG1 3.58Å; D45-V86 WeakPolarHBondContact O-CA 3.45Å; V46-V86 HydrophobicContact CG1-CG2 4.31Å; V46-V86 HydrophobicContact CG2-CG1 4.26Å; L84-V86 HydrophobicContact CB-CG2 3.78Å; V86-W88 HydrophobicContact CB-CD2 4.45Å; V86-W88 HydrophobicContact CB-CE3 3.99Å; V86-W88 HydrophobicContact CB-CH2 3.96Å; V86-W88 HydrophobicContact CB-CZ2 4.4Å; V86-W88 HydrophobicContact CB-CZ3 3.72Å; V86-W88 HydrophobicContact CG1-CD2 3.64Å; V86-W88 HydrophobicContact CG1-CE3 3.68Å; V86-W88 HydrophobicContact CG1-CG 4.45Å; V86-W88 HydrophobicContact CG1-CH2 3.65Å; V86-W88 HydrophobicContact CG1-CZ2 3.58Å; V86-W88 HydrophobicContact CG1-CZ3 3.68Å; V86-W88 HydrophobicContact CG2-CH2 4.25Å; V86-W88 HydrophobicContact CG2-CZ3 4.37Å; V86-Q92 CarbonylContact O-C 3.49Å; V86-Q92 WeakPolarHBondContact O-CA 3.32Å; V86-N93 PolarHBondContact N-O 3.09Å; V86-N93 PolarHBondContact O-N 3.3Å; V86-I95 HydrophobicContact CG2-CD1 3.7Å; V86-I95 HydrophobicContact CG2-CG1 3.99Å |
| 87 | V | 94.5 | Very high | 91.9 | Very high | 27 Ų | 27 | 67.4 Ų | 67.4 | 16% | 0.164 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 108.3 | 175.7 | -176.8 | 0 | 0 | 0 | 0 | 110.4 | T44 D45 Q91 Q92 | T44-V87 PolarHBondContact N-O 3.47Å; T44-V87 PolarHBondContact OG1-O 2.77Å; D45-V87 HydrophobicContact CB-CB 4.02Å; D45-V87 HydrophobicContact CB-CG2 3.94Å; D45-V87 PolarHBondContact O-N 3.25Å; V87-Q91 WeakPolarHBondContact CA-O 3.31Å; V87-Q92 HydrophobicContact CG2-CB 4.16Å; V87-Q92 HydrophobicContact CG2-CG 4.29Å |
| 88 | W | 90.1 | Very high | 92.5 | Very high | 50 Ų | 50 | 60 Ų | 60 | 19% | 0.189 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 131.8 | 168.8 | -73.1 | -71.6 | 0 | 0 | 0 | 109.4 | L40 P41 D42 V86 G90 Q91 N93 I95 | L40-W88 HydrophobicContact CB-CZ2 4.15Å; L40-W88 HydrophobicContact CD2-CH2 4.1Å; L40-W88 HydrophobicContact CD2-CZ2 3.86Å; L40-W88 HydrophobicContact CG-CZ2 4.49Å; P41-W88 PolarHBondContact O-NE1 3.48Å; D42-W88 VanDerWaalsContact C-CD1 3.41Å; V86-W88 HydrophobicContact CB-CD2 4.45Å; V86-W88 HydrophobicContact CB-CE3 3.99Å; V86-W88 HydrophobicContact CB-CH2 3.96Å; V86-W88 HydrophobicContact CB-CZ2 4.4Å; V86-W88 HydrophobicContact CB-CZ3 3.72Å; V86-W88 HydrophobicContact CG1-CD2 3.64Å; V86-W88 HydrophobicContact CG1-CE3 3.68Å; V86-W88 HydrophobicContact CG1-CG 4.45Å; V86-W88 HydrophobicContact CG1-CH2 3.65Å; V86-W88 HydrophobicContact CG1-CZ2 3.58Å; V86-W88 HydrophobicContact CG1-CZ3 3.68Å; V86-W88 HydrophobicContact CG2-CH2 4.25Å; V86-W88 HydrophobicContact CG2-CZ3 4.37Å; W88-G90 PolarHBondContact O-N 3.32Å; W88-Q91 PolarHBondContact N-O 3.44Å; W88-Q91 PolarHBondContact O-N 3.14Å; W88-N93 HydrophobicContact CE3-CB 4.24Å; W88-N93 HydrophobicContact CZ3-CB 4.2Å; W88-I95 HydrophobicContact CH2-CD1 3.87Å; W88-I95 HydrophobicContact CZ3-CD1 4.42Å; W88-I95 HydrophobicContact CZ3-CG2 4.36Å |
| 89 | H | 87.9 | Confident | 92.8 | Very high | 174 Ų | 174 | 54.8 Ų | 54.8 | 81% | 0.806 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.8 | 37.2 | 178.8 | -53.8 | -63.5 | 0 | 0 | 0 | 114.5 | Q91 | H89-Q91 VanDerWaalsContact C-N 3.31Å; H89-Q91 PolarHBondContact O-N 3.16Å |
| 90 | G | 88.4 | Confident | 92.9 | Very high | 68 Ų | 68 | 50.3 Ų | 50.3 | 70% | 0.701 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | -1.3 | -180 | 0 | 0 | 0 | 0 | 0 | 115.8 | W88 | W88-G90 PolarHBondContact O-N 3.32Š|
| 91 | Q | 91.2 | Very high | 93 | Very high | 143 Ų | 143 | 48.8 Ų | 48.8 | 67% | 0.668 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 128 | 176.3 | -66.6 | -170.2 | -15.5 | 0 | 0 | 111.4 | V87 W88 H89 N93 | V87-Q91 WeakPolarHBondContact CA-O 3.31Å; W88-Q91 PolarHBondContact N-O 3.44Å; W88-Q91 PolarHBondContact O-N 3.14Å; H89-Q91 VanDerWaalsContact C-N 3.31Å; H89-Q91 PolarHBondContact O-N 3.16Å; Q91-N93 PolarHBondContact O-ND2 3.26Å |
| 92 | Q | 93.7 | Very high | 93 | Very high | 106 Ų | 106 | 46.1 Ų | 46.1 | 50% | 0.495 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 123.8 | 175.1 | -169.3 | -169.8 | -94.9 | 0 | 0 | 110.1 | A85 V86 V87 | A85-Q92 HydrophobicContact CB-CG 4.11Å; V86-Q92 CarbonylContact O-C 3.49Å; V86-Q92 WeakPolarHBondContact O-CA 3.32Å; V87-Q92 HydrophobicContact CG2-CB 4.16Å; V87-Q92 HydrophobicContact CG2-CG 4.29Å |
| 93 | N | 92.1 | Very high | 92.9 | Very high | 68 Ų | 68 | 50.4 Ų | 50.4 | 36% | 0.364 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 139 | 172.8 | -66.9 | -79.4 | 0 | 0 | 0 | 109.4 | A85 V86 W88 Q91 I95 | A85-N93 CarbonylContact C-O 3.57Å; A85-N93 WeakPolarHBondContact CA-O 3.42Å; V86-N93 PolarHBondContact N-O 3.09Å; V86-N93 PolarHBondContact O-N 3.3Å; W88-N93 HydrophobicContact CE3-CB 4.24Å; W88-N93 HydrophobicContact CZ3-CB 4.2Å; Q91-N93 PolarHBondContact O-ND2 3.26Å; N93-I95 HydrophobicContact CB-CG2 4.5Å |
| 94 | L | 92.9 | Very high | 92.8 | Very high | 100 Ų | 100 | 49.5 Ų | 49.5 | 52% | 0.524 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 121.7 | 169.9 | -83.5 | 161.1 | 0 | 0 | 0 | 108.1 | I49 Q83 L84 A85 | I49-L94 HydrophobicContact CB-CD2 4.41Å; I49-L94 HydrophobicContact CG1-CD2 4.03Å; I49-L94 HydrophobicContact CG2-CD2 4.5Å; Q83-L94 HydrophobicContact CB-CD2 4.41Å; L84-L94 WeakPolarHBondContact O-CA 3.45Å; A85-L94 HydrophobicContact CB-CD2 4.07Å |
| 95 | I | 92.7 | Very high | 92.6 | Very high | 47 Ų | 47 | 49.7 Ų | 49.7 | 24% | 0.241 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 147.1 | 178.7 | 68.4 | 177.7 | 0 | 0 | 0 | 110.2 | L40 Q83 L84 V86 W88 N93 | L40-I95 HydrophobicContact CD2-CD1 3.95Å; Q83-I95 CarbonylContact C-O 3.57Å; Q83-I95 WeakPolarHBondContact CA-O 3.37Å; Q83-I95 WeakPolarHBondContact CB-O 3.29Å; L84-I95 HydrophobicContact CB-CD1 4.41Å; L84-I95 HydrophobicContact CB-CG1 3.86Å; L84-I95 PolarHBondContact N-O 3.26Å; L84-I95 PolarHBondContact O-N 3.19Å; V86-I95 HydrophobicContact CG2-CD1 3.7Å; V86-I95 HydrophobicContact CG2-CG1 3.99Å; W88-I95 HydrophobicContact CH2-CD1 3.87Å; W88-I95 HydrophobicContact CZ3-CD1 4.42Å; W88-I95 HydrophobicContact CZ3-CG2 4.36Å; N93-I95 HydrophobicContact CB-CG2 4.5Å |
| 96 | D | 94 | Very high | 92.3 | Very high | 21 Ų | 21 | 56.3 Ų | 56.3 | 11% | 0.112 | 31% | 0.305 | C | S | . | . | trans | -81.5 | 137.2 | 163.7 | -85.4 | -91.7 | 0 | 0 | 0 | 108.9 | Q83 P98 R100 V135 P180 | Q83-D96 PolarHBondContact NE2-OD2 3.46Å; D96-P98 WeakPolarHBondContact O-CD 3.45Å; D96-R100 IonicContact OD1-CZ 2.67Å; D96-R100 IonicContact OD1-NE 3.84Å; D96-R100 PolarHBondContact OD1-NE 2.94Å; D96-R100 IonicContact OD1-NH2 3.91Å; D96-V135 HydrophobicContact CB-CG1 4.14Å; D96-V135 WeakPolarHBondContact OD1-CG2 3.5Å; D96-P180 HydrophobicContact CB-CB 3.72Å; D96-P180 HydrophobicContact CB-CG 3.68Å | ||
| 97 | D | 94.1 | Very high | 92 | Very high | 6 Ų | 6 | 64.5 Ų | 64.5 | 3% | 0.032 | 34% | 0.344 | C | S | . | . | trans | -76.8 | 118.2 | 177.9 | -174.1 | -16 | 0 | 0 | 0 | 110.3 | Y82 L84 Y99 R100 F101 | Y82-D97 HydrophobicContact CE2-CB 3.94Å; Y82-D97 PolarHBondContact OH-OD2 3.21Å; L84-D97 HydrophobicContact CD1-CB 4.14Å; L84-D97 HydrophobicContact CG-CB 4.45Å; D97-Y99 PolarHBondContact O-N 3.11Å; D97-Y99 WeakPolarHBondContact OD1-CB 3.38Å; D97-Y99 WeakPolarHBondContact OD1-CD2 3.36Å; D97-Y99 PolarHBondContact OD1-N 2.91Å; D97-R100 HydrophobicContact CB-CB 4.44Å; D97-R100 VanDerWaalsContact O-CG 3.28Å; D97-R100 WeakPolarHBondContact O-CG 3.49Å; D97-R100 PolarHBondContact O-N 2.99Å; D97-F101 WeakPolarHBondContact O-CE2 3.35Å | ||
| 98 | P | 94.6 | Very high | 91.9 | Very high | 15 Ų | 15 | 68.8 Ų | 68.8 | 10% | 0.097 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -56.4 | -29.4 | 176.1 | -22.5 | 32.9 | 0 | 0 | 0 | 113.5 | D96 R100 L177 | D96-P98 WeakPolarHBondContact O-CD 3.45Å; P98-R100 VanDerWaalsContact C-N 3.3Å; P98-R100 PolarHBondContact O-N 3.11Å; P98-L177 HydrophobicContact CB-CD1 4.16Å |
| 99 | Y | 95 | Very high | 92 | Very high | 19 Ų | 19 | 68.1 Ų | 68.1 | 8% | 0.075 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -86.1 | 2.3 | -175.2 | -60.6 | -76.7 | 0 | 0 | 0 | 113.7 | P21 F22 L25 D97 P165 L177 | P21-Y99 HydrophobicContact CB-CD1 4.36Å; P21-Y99 HydrophobicContact CB-CE1 3.72Å; P21-Y99 HydrophobicContact CG-CE1 3.93Å; F22-Y99 HydrophobicContact CD1-CD1 4.18Å; F22-Y99 AromaticContact CD2-CD1 3.77Å; F22-Y99 HydrophobicContact CD2-CD1 3.77Å; F22-Y99 HydrophobicContact CD2-CE1 4.05Å; F22-Y99 HydrophobicContact CE1-CD1 4.01Å; F22-Y99 AromaticContact CE2-CD1 3.58Å; F22-Y99 HydrophobicContact CE2-CD1 3.58Å; F22-Y99 AromaticContact CE2-CE1 3.73Å; F22-Y99 HydrophobicContact CE2-CE1 3.73Å; F22-Y99 HydrophobicContact CG-CD1 4.08Å; F22-Y99 AromaticContact CZ-CD1 3.73Å; F22-Y99 HydrophobicContact CZ-CD1 3.73Å; F22-Y99 HydrophobicContact CZ-CE1 4.21Å; L25-Y99 HydrophobicContact CB-CD1 4.04Å; L25-Y99 HydrophobicContact CB-CD2 3.8Å; L25-Y99 HydrophobicContact CB-CE2 4.43Å; L25-Y99 HydrophobicContact CB-CG 3.59Å; L25-Y99 HydrophobicContact CD1-CD1 4.37Å; L25-Y99 HydrophobicContact CD1-CD2 3.73Å; L25-Y99 HydrophobicContact CD1-CE1 4.21Å; L25-Y99 HydrophobicContact CD1-CE2 3.52Å; L25-Y99 HydrophobicContact CD1-CG 4.17Å; L25-Y99 HydrophobicContact CG-CD2 4.42Å; D97-Y99 PolarHBondContact O-N 3.11Å; D97-Y99 WeakPolarHBondContact OD1-CB 3.38Å; D97-Y99 WeakPolarHBondContact OD1-CD2 3.36Å; D97-Y99 PolarHBondContact OD1-N 2.91Å; Y99-P165 WeakPolarHBondContact CE1-O 3.42Å; Y99-P165 WeakPolarHBondContact OH-CD 3.36Å; Y99-P165 WeakPolarHBondContact OH-CG 2.99Å; Y99-P165 PolarHBondContact OH-O 2.94Å; Y99-L177 HydrophobicContact CE1-CD1 4.45Å |
| 100 | R | 92.7 | Very high | 92.1 | Very high | 37 Ų | 37 | 60 Ų | 60 | 14% | 0.14 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -82.3 | -16.8 | 172 | 86.6 | 179.2 | -174.2 | 65.7 | 2.9 | 113.4 | Y82 D96 D97 P98 D133 | Y82-R100 HydrophobicContact CD1-CB 4.47Å; Y82-R100 HydrophobicContact CE1-CB 3.58Å; Y82-R100 HydrophobicContact CE1-CG 4.48Å; D96-R100 IonicContact OD1-CZ 2.67Å; D96-R100 IonicContact OD1-NE 3.84Å; D96-R100 PolarHBondContact OD1-NE 2.94Å; D96-R100 IonicContact OD1-NH2 3.91Å; D97-R100 HydrophobicContact CB-CB 4.44Å; D97-R100 VanDerWaalsContact O-CG 3.28Å; D97-R100 WeakPolarHBondContact O-CG 3.49Å; D97-R100 PolarHBondContact O-N 2.99Å; P98-R100 VanDerWaalsContact C-N 3.3Å; P98-R100 PolarHBondContact O-N 3.11Å; R100-D133 IonicContact CZ-OD2 3.8Å; R100-D133 IonicContact NH1-OD2 3.85Å; R100-D133 PolarHBondContact NH1-OD2 2.82Å; R100-D133 IonicContact NH2-OD2 3.26Å |
| 101 | F | 92.7 | Very high | 92.2 | Very high | 7 Ų | 7 | 63.7 Ų | 63.7 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | trans | -84.9 | 133.1 | -174.4 | -62.1 | -85.7 | 0 | 0 | 0 | 110.8 | F22 D97 M132 D133 V135 R167 F178 P180 | F22-F101 WeakPolarHBondContact CE1-O 3.21Å; D97-F101 WeakPolarHBondContact O-CE2 3.35Å; F101-M132 HydrophobicContact CD1-CB 3.82Å; F101-M132 HydrophobicContact CD1-SD 4.29Å; F101-M132 HydrophobicContact CE1-CB 3.72Å; F101-D133 HydrophobicContact CE1-CB 4.5Å; F101-V135 HydrophobicContact CZ-CB 4.22Å; F101-V135 HydrophobicContact CZ-CG1 4.41Å; F101-V135 HydrophobicContact CZ-CG2 4.38Å; F101-R167 PolarHBondContact O-NH1 2.82Å; F101-F178 HydrophobicContact CD1-CD1 4.07Å; F101-F178 HydrophobicContact CD1-CE1 4.47Å; F101-F178 AromaticContact CD2-CD1 3.68Å; F101-F178 HydrophobicContact CD2-CD1 3.68Å; F101-F178 HydrophobicContact CD2-CE1 4.42Å; F101-F178 AromaticContact CE1-CD1 3.98Å; F101-F178 HydrophobicContact CE1-CD1 3.98Å; F101-F178 AromaticContact CE1-CE1 3.95Å; F101-F178 HydrophobicContact CE1-CE1 3.95Å; F101-F178 AromaticContact CE2-CD1 3.61Å; F101-F178 HydrophobicContact CE2-CD1 3.61Å; F101-F178 AromaticContact CE2-CE1 3.93Å; F101-F178 HydrophobicContact CE2-CE1 3.93Å; F101-F178 AromaticContact CG-CD1 3.91Å; F101-F178 HydrophobicContact CG-CD1 3.91Å; F101-F178 AromaticContact CZ-CD1 3.75Å; F101-F178 HydrophobicContact CZ-CD1 3.75Å; F101-F178 AromaticContact CZ-CE1 3.65Å; F101-F178 HydrophobicContact CZ-CE1 3.65Å; F101-P180 HydrophobicContact CE2-CG 3.67Å; F101-P180 HydrophobicContact CZ-CG 4.23Å | ||
| 102 | G | 89.9 | Confident | 92.3 | Very high | 39 Ų | 39 | 58.9 Ų | 58.9 | 40% | 0.402 | 30% | 0.298 | S | S | . | . | trans | -68.5 | -174.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L104 R167 | G102-L104 VanDerWaalsContact O-CD2 3.3Å; G102-L104 WeakPolarHBondContact O-CD2 3.38Å; G102-L104 PolarHBondContact O-N 3.43Å; G102-R167 VanDerWaalsContact C-NH1 3.34Å; G102-R167 VanDerWaalsContact C-NH2 3.25Å; G102-R167 PolarHBondContact O-NH1 2.81Å; G102-R167 PolarHBondContact O-NH2 3.21Å | ||
| 103 | P | 91.6 | Very high | 92.3 | Very high | 91 Ų | 91 | 54.3 Ų | 54.3 | 59% | 0.591 | 28% | 0.277 | S | S | * | . | trans | -48.7 | 135.1 | 172.9 | -27.3 | 36.2 | 0 | 0 | 0 | 112.4 | R167 E176 | P103-R167 VanDerWaalsContact CA-NH2 3.29Å; P103-E176 VanDerWaalsContact CA-OE1 3.27Å; P103-E176 WeakPolarHBondContact CA-OE1 3.47Å | ||
| 104 | L | 93.7 | Very high | 92.3 | Very high | 19 Ų | 19 | 52.5 Ų | 52.5 | 10% | 0.099 | 27% | 0.27 | C | S | . | . | trans | -99 | -40.1 | -170.8 | -50.6 | 179.7 | 0 | 0 | 0 | 112.5 | G102 M132 R139 E176 F178 | G102-L104 VanDerWaalsContact O-CD2 3.3Å; G102-L104 WeakPolarHBondContact O-CD2 3.38Å; G102-L104 PolarHBondContact O-N 3.43Å; L104-M132 HydrophobicContact CD2-CE 3.51Å; L104-M132 HydrophobicContact CD2-SD 3.56Å; L104-M132 VanDerWaalsContact CD2-SD 3.56Å; L104-R139 HydrophobicContact CB-CG 4.17Å; L104-R139 HydrophobicContact CD1-CG 3.79Å; L104-E176 HydrophobicContact CD1-CB 4.16Å; L104-E176 VanDerWaalsContact N-CD 3.34Å; L104-E176 PolarHBondContact N-OE1 3.3Å; L104-E176 PolarHBondContact N-OE2 3.47Å; L104-E176 VanDerWaalsContact N-OE2 3.15Å; L104-F178 HydrophobicContact CD1-CB 3.9Å; L104-F178 VanDerWaalsContact CD1-N 3.31Å; L104-F178 HydrophobicContact CD2-CB 4.02Å | ||
| 105 | I | 91.5 | Very high | 92.1 | Very high | 6 Ų | 6 | 51.4 Ų | 51.4 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -79.2 | 127.2 | 176.8 | -60 | 163.1 | 0 | 0 | 0 | 108.8 | D109 A110 T124 R169 I174 E176 | I105-D109 HydrophobicContact CG2-CB 3.9Å; I105-A110 HydrophobicContact CG2-CB 3.96Å; I105-T124 HydrophobicContact CB-CG2 4.48Å; I105-T124 HydrophobicContact CG1-CG2 3.98Å; I105-T124 HydrophobicContact CG2-CG2 3.87Å; I105-R169 PolarHBondContact O-NH1 2.91Å; I105-I174 HydrophobicContact CD1-CB 4.17Å; I105-I174 HydrophobicContact CD1-CD1 4.37Å; I105-I174 HydrophobicContact CD1-CG2 3.48Å; I105-I174 VanDerWaalsContact CD1-CG2 3.48Å; I105-E176 HydrophobicContact CD1-CB 4.33Å; I105-E176 VanDerWaalsContact CG1-OE2 3.27Å; I105-E176 WeakPolarHBondContact CG1-OE2 3.41Å; I105-E176 PolarHBondContact N-OE2 2.75Å |
| 106 | Q | 90.5 | Very high | 92 | Very high | 139 Ų | 139 | 50 Ų | 50 | 65% | 0.65 | 26% | 0.259 | S | S | * | . | trans | -67.2 | 154.6 | 178.5 | -54.8 | -175.4 | 31.9 | 0 | 0 | 110.6 | M108 D109 A110 | Q106-M108 VanDerWaalsContact C-N 3.29Å; Q106-M108 PolarHBondContact O-N 3.14Å; Q106-D109 PolarHBondContact O-N 2.84Å; Q106-A110 PolarHBondContact O-N 3.16Å | ||
| 107 | E | 89.3 | Confident | 92 | Very high | 172 Ų | 172 | 52.7 Ų | 52.7 | 80% | 0.804 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -59.5 | -39.1 | -175.9 | -68.6 | -177.8 | 171.3 | 0 | 0 | 112.7 | W111 | E107-W111 WeakPolarHBondContact O-CB 3.41Å; E107-W111 PolarHBondContact O-N 3.1Å |
| 108 | M | 91.4 | Very high | 92.1 | Very high | 117 Ų | 117 | 52.9 Ų | 52.9 | 58% | 0.576 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -65.9 | -45.3 | 177.6 | -175.2 | 60.4 | 69.3 | 0 | 0 | 112.1 | Q106 A110 W111 L112 | Q106-M108 VanDerWaalsContact C-N 3.29Å; Q106-M108 PolarHBondContact O-N 3.14Å; M108-A110 VanDerWaalsContact C-N 3.34Å; M108-A110 PolarHBondContact O-N 3.49Å; M108-W111 PolarHBondContact O-N 3.12Å; M108-W111 HydrophobicContact SD-CE3 3.81Å; M108-W111 HydrophobicContact SD-CZ3 4.29Å; M108-L112 HydrophobicContact CG-CD1 4.02Å; M108-L112 HydrophobicContact CG-CG 4.42Å; M108-L112 WeakPolarHBondContact O-CG 3.47Å; M108-L112 PolarHBondContact O-N 3.46Å; M108-L112 HydrophobicContact SD-CD1 4.35Å; M108-L112 HydrophobicContact SD-CG 4.26Å |
| 109 | D | 91.9 | Very high | 92.1 | Very high | 36 Ų | 36 | 54.7 Ų | 54.7 | 19% | 0.193 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 178.9 | -59.5 | -39.7 | 0 | 0 | 0 | 110.7 | I105 Q106 W111 L112 L113 H118 T124 | I105-D109 HydrophobicContact CG2-CB 3.9Å; Q106-D109 PolarHBondContact O-N 2.84Å; D109-W111 VanDerWaalsContact C-N 3.31Å; D109-W111 PolarHBondContact O-N 3.42Å; D109-L112 PolarHBondContact O-N 3.37Å; D109-L113 VanDerWaalsContact O-CB 3.26Å; D109-L113 WeakPolarHBondContact O-CB 3.41Å; D109-L113 WeakPolarHBondContact O-CD1 3.36Å; D109-L113 WeakPolarHBondContact O-CG 3.3Å; D109-L113 PolarHBondContact O-N 3.48Å; D109-H118 IonicContact OD1-CD2 3.47Å; D109-H118 IonicContact OD1-NE2 2.7Å; D109-H118 PolarHBondContact OD1-NE2 2.99Å; D109-T124 HydrophobicContact CB-CG2 4.16Å |
| 110 | A | 90.3 | Very high | 92.1 | Very high | 5 Ų | 5 | 56.2 Ų | 56.2 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.4 | -43.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I105 Q106 M108 S114 | I105-A110 HydrophobicContact CG2-CB 3.96Å; Q106-A110 PolarHBondContact O-N 3.16Å; M108-A110 VanDerWaalsContact C-N 3.34Å; M108-A110 PolarHBondContact O-N 3.49Å; A110-S114 WeakPolarHBondContact O-CB 3.3Å; A110-S114 PolarHBondContact O-N 3.47Å; A110-S114 PolarHBondContact O-OG 2.99Å; A110-S114 VanDerWaalsContact O-OG 3.07Å |
| 111 | W | 91.2 | Very high | 92.3 | Very high | 144 Ų | 144 | 54.4 Ų | 54.4 | 55% | 0.545 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.8 | -50 | 177.4 | 178.8 | 72.9 | 0 | 0 | 0 | 112.4 | E107 M108 D109 L113 S114 E115 | E107-W111 WeakPolarHBondContact O-CB 3.41Å; E107-W111 PolarHBondContact O-N 3.1Å; M108-W111 PolarHBondContact O-N 3.12Å; M108-W111 HydrophobicContact SD-CE3 3.81Å; M108-W111 HydrophobicContact SD-CZ3 4.29Å; D109-W111 VanDerWaalsContact C-N 3.31Å; D109-W111 PolarHBondContact O-N 3.42Å; W111-L113 VanDerWaalsContact C-N 3.31Å; W111-L113 PolarHBondContact O-N 3.3Å; W111-S114 PolarHBondContact O-N 3.24Å; W111-E115 HydrophobicContact CZ2-CG 4.17Å; W111-E115 PolarHBondContact O-N 3.16Å |
| 112 | L | 93 | Very high | 92.5 | Very high | 43 Ų | 43 | 54.1 Ų | 54.1 | 23% | 0.225 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.5 | -38.4 | 178.8 | -71.5 | 172.3 | 0 | 0 | 0 | 112.4 | M108 D109 E115 G116 T117 H118 | M108-L112 HydrophobicContact CG-CD1 4.02Å; M108-L112 HydrophobicContact CG-CG 4.42Å; M108-L112 WeakPolarHBondContact O-CG 3.47Å; M108-L112 PolarHBondContact O-N 3.46Å; M108-L112 HydrophobicContact SD-CD1 4.35Å; M108-L112 HydrophobicContact SD-CG 4.26Å; D109-L112 PolarHBondContact O-N 3.37Å; L112-E115 PolarHBondContact O-N 2.92Å; L112-G116 PolarHBondContact O-N 3.07Å; L112-G116 VanDerWaalsContact O-N 3.08Å; L112-T117 PolarHBondContact O-N 2.92Å; L112-H118 HydrophobicContact CB-CB 3.72Å; L112-H118 PolarHBondContact O-N 2.92Å |
| 113 | L | 93.4 | Very high | 92.8 | Very high | 9 Ų | 9 | 55.8 Ų | 55.8 | 5% | 0.047 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.7 | -42.4 | 176 | -73.2 | 166.9 | 0 | 0 | 0 | 111.4 | D109 W111 E115 G116 H118 P121 T124 L125 I174 | D109-L113 VanDerWaalsContact O-CB 3.26Å; D109-L113 WeakPolarHBondContact O-CB 3.41Å; D109-L113 WeakPolarHBondContact O-CD1 3.36Å; D109-L113 WeakPolarHBondContact O-CG 3.3Å; D109-L113 PolarHBondContact O-N 3.48Å; W111-L113 VanDerWaalsContact C-N 3.31Å; W111-L113 PolarHBondContact O-N 3.3Å; L113-E115 VanDerWaalsContact C-N 3.32Å; L113-E115 PolarHBondContact O-N 3.3Å; L113-G116 PolarHBondContact O-N 2.94Å; L113-G116 VanDerWaalsContact O-N 3.13Å; L113-H118 HydrophobicContact CD2-CB 3.84Å; L113-H118 HydrophobicContact CG-CB 4.07Å; L113-P121 HydrophobicContact CD2-CB 3.63Å; L113-T124 HydrophobicContact CD1-CG2 3.8Å; L113-L125 HydrophobicContact CD1-CG 4.45Å; L113-L125 HydrophobicContact CD2-CD1 4.02Å; L113-L125 HydrophobicContact CD2-CG 4.43Å; L113-I174 HydrophobicContact CB-CD1 4.05Å; L113-I174 HydrophobicContact CD1-CD1 3.67Å; L113-I174 HydrophobicContact CG-CD1 4.43Å |
| 114 | S | 91 | Very high | 93 | Very high | 30 Ų | 30 | 51.8 Ų | 51.8 | 21% | 0.21 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.2 | -35.3 | 175.6 | -66.6 | 0 | 0 | 0 | 0 | 112.8 | A110 W111 G116 E171 S172 | A110-S114 WeakPolarHBondContact O-CB 3.3Å; A110-S114 PolarHBondContact O-N 3.47Å; A110-S114 PolarHBondContact O-OG 2.99Å; A110-S114 VanDerWaalsContact O-OG 3.07Å; W111-S114 PolarHBondContact O-N 3.24Å; S114-G116 VanDerWaalsContact C-N 3.28Å; S114-E171 PolarHBondContact OG-O 3.34Å; S114-S172 VanDerWaalsContact OG-CA 3.23Å; S114-S172 WeakPolarHBondContact OG-CA 3.44Å; S114-S172 WeakPolarHBondContact OG-CB 3.16Å |
| 115 | E | 90.6 | Very high | 93.1 | Very high | 77 Ų | 77 | 51.1 Ų | 51.1 | 36% | 0.36 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -79.2 | -10.1 | 174.9 | -69.2 | -56.6 | 134.3 | 0 | 0 | 113.3 | W111 L112 L113 T117 R380 | W111-E115 HydrophobicContact CZ2-CG 4.17Å; W111-E115 PolarHBondContact O-N 3.16Å; L112-E115 PolarHBondContact O-N 2.92Å; L113-E115 VanDerWaalsContact C-N 3.32Å; L113-E115 PolarHBondContact O-N 3.3Å; E115-T117 VanDerWaalsContact C-N 3.27Å; E115-T117 HydrophobicContact CB-CG2 4.31Å; E115-T117 PolarHBondContact O-N 3.37Å; E115-R380 IonicContact OE2-NH1 3.52Å; E115-R380 PolarHBondContact OE2-NH1 3Å |
| 116 | G | 90.3 | Very high | 93.4 | Very high | 17 Ų | 17 | 50.9 Ų | 50.9 | 18% | 0.175 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 24.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L112 L113 S114 N384 | L112-G116 PolarHBondContact O-N 3.07Å; L112-G116 VanDerWaalsContact O-N 3.08Å; L113-G116 PolarHBondContact O-N 2.94Å; L113-G116 VanDerWaalsContact O-N 3.13Å; S114-G116 VanDerWaalsContact C-N 3.28Å; G116-N384 VanDerWaalsContact C-OD1 3.3Å; G116-N384 WeakPolarHBondContact CA-OD1 3.34Å; G116-N384 WeakPolarHBondContact O-CB 3.27Å |
| 117 | T | 93.2 | Very high | 93.7 | Very high | 78 Ų | 78 | 44.3 Ų | 44.3 | 48% | 0.479 | 22% | 0.219 | S | C | . | . | trans | -111.4 | 5.3 | -176.8 | 56.2 | 0 | 0 | 0 | 0 | 113 | L112 E115 L119 | L112-T117 PolarHBondContact O-N 2.92Å; E115-T117 VanDerWaalsContact C-N 3.27Å; E115-T117 HydrophobicContact CB-CG2 4.31Å; E115-T117 PolarHBondContact O-N 3.37Å; T117-L119 PolarHBondContact O-N 2.81Å; T117-L119 VanDerWaalsContact O-N 3.08Å | ||
| 118 | H | 95.5 | Very high | 94 | Very high | 11 Ų | 11 | 37.1 Ų | 37.1 | 5% | 0.051 | 19% | 0.186 | C | C | . | . | trans | -70.8 | 104.2 | 179.2 | -167.6 | -58 | 0 | 0 | 0 | 110.5 | D109 L112 L113 R120 P121 N384 | D109-H118 IonicContact OD1-CD2 3.47Å; D109-H118 IonicContact OD1-NE2 2.7Å; D109-H118 PolarHBondContact OD1-NE2 2.99Å; L112-H118 HydrophobicContact CB-CB 3.72Å; L112-H118 PolarHBondContact O-N 2.92Å; L113-H118 HydrophobicContact CD2-CB 3.84Å; L113-H118 HydrophobicContact CG-CB 4.07Å; H118-R120 PolarHBondContact CE1-O 3.38Å; H118-R120 PolarHBondContact ND1-N 2.72Å; H118-R120 PolarHBondContact ND1-O 3.25Å; H118-R120 PolarHBondContact O-N 3.49Å; H118-R120 VanDerWaalsContact O-N 3.08Å; H118-P121 VanDerWaalsContact O-CD 3.23Å; H118-P121 WeakPolarHBondContact O-CD 3.47Å; H118-N384 WeakPolarHBondContact CB-OD1 3.2Å; H118-N384 PolarHBondContact N-OD1 3.4Å; H118-N384 PolarHBondContact O-ND2 3.23Å | ||
| 119 | L | 94.4 | Very high | 94 | Very high | 53 Ų | 53 | 34 Ų | 34 | 28% | 0.277 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -57.6 | -31.3 | -174.6 | -65.1 | 176.1 | 0 | 0 | 0 | 114.7 | T117 P121 L391 I445 Q449 | T117-L119 PolarHBondContact O-N 2.81Å; T117-L119 VanDerWaalsContact O-N 3.08Å; L119-P121 WeakPolarHBondContact O-CD 3.46Å; L119-L391 HydrophobicContact CB-CD1 4.26Å; L119-L391 WeakPolarHBondContact O-CD1 3.31Å; L119-I445 HydrophobicContact CD2-CD1 4.29Å; L119-I445 HydrophobicContact CD2-CG1 4.47Å; L119-I445 HydrophobicContact CD2-CG2 3.88Å; L119-Q449 HydrophobicContact CD1-CG 4.17Å |
| 120 | R | 96.7 | Very high | 94 | Very high | 50 Ų | 50 | 35.3 Ų | 35.3 | 19% | 0.189 | 19% | 0.186 | C | C | . | . | trans | -124.8 | 58.9 | -176.1 | -57.7 | -178.2 | -177.4 | 75.3 | 12.4 | 112.3 | H118 Y122 E123 E395 | H118-R120 PolarHBondContact CE1-O 3.38Å; H118-R120 PolarHBondContact ND1-N 2.72Å; H118-R120 PolarHBondContact ND1-O 3.25Å; H118-R120 PolarHBondContact O-N 3.49Å; H118-R120 VanDerWaalsContact O-N 3.08Å; R120-Y122 HydrophobicContact CB-CE1 3.97Å; R120-Y122 HydrophobicContact CB-CE2 4.15Å; R120-Y122 HydrophobicContact CG-CE1 4.23Å; R120-Y122 PolarHBondContact O-N 3.47Å; R120-E123 HydrophobicContact CB-CG 3.96Å; R120-E123 VanDerWaalsContact CD-OE1 3.25Å; R120-E123 WeakPolarHBondContact CD-OE1 3.43Å; R120-E123 WeakPolarHBondContact O-CB 3.42Å; R120-E123 PolarHBondContact O-N 3.22Å; R120-E395 IonicContact CZ-OE1 2.71Å; R120-E395 IonicContact CZ-OE2 3.21Å; R120-E395 IonicContact NE-OE1 3.66Å; R120-E395 PolarHBondContact NE-OE1 2.82Å; R120-E395 IonicContact NE-OE2 2.73Å; R120-E395 PolarHBondContact NE-OE2 3.48Å; R120-E395 IonicContact NH2-OE1 2.76Å; R120-E395 PolarHBondContact NH2-OE1 2.96Å; R120-E395 IonicContact NH2-OE2 3.99Å | ||
| 121 | P | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -61.3 | -25.9 | -171.2 | 29 | -31.9 | 0 | 0 | 0 | 111.6 | L113 H118 L119 E123 T124 L125 Y206 | L113-P121 HydrophobicContact CD2-CB 3.63Å; H118-P121 VanDerWaalsContact O-CD 3.23Å; H118-P121 WeakPolarHBondContact O-CD 3.47Å; L119-P121 WeakPolarHBondContact O-CD 3.46Å; P121-E123 PolarHBondContact O-N 2.8Å; P121-T124 PolarHBondContact O-N 2.83Å; P121-L125 HydrophobicContact CB-CD1 4.44Å; P121-L125 PolarHBondContact O-N 2.71Å; P121-Y206 HydrophobicContact CB-CE1 4.21Å; P121-Y206 HydrophobicContact CG-CE1 4.1Å |
| 122 | Y | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -64.6 | -14.1 | 173.5 | 59.6 | -100 | 0 | 0 | 0 | 115.2 | R120 T124 H128 F208 L223 Y306 G388 Y392 E395 R396 | R120-Y122 HydrophobicContact CB-CE1 3.97Å; R120-Y122 HydrophobicContact CB-CE2 4.15Å; R120-Y122 HydrophobicContact CG-CE1 4.23Å; R120-Y122 PolarHBondContact O-N 3.47Å; Y122-T124 VanDerWaalsContact C-N 3.27Å; Y122-H128 PolarHBondContact O-CE1 2.77Å; Y122-H128 PolarHBondContact O-NE2 3.1Å; Y122-H128 VanDerWaalsContact O-NE2 3.08Å; Y122-F208 WeakPolarHBondContact O-CZ 3.49Å; Y122-L223 HydrophobicContact CD2-CD1 3.83Å; Y122-L223 HydrophobicContact CD2-CD2 4.03Å; Y122-L223 HydrophobicContact CE2-CD1 4.36Å; Y122-L223 HydrophobicContact CE2-CD2 4.14Å; Y122-Y306 AromaticContact CD1-CE1 3.78Å; Y122-Y306 HydrophobicContact CD1-CE1 3.78Å; Y122-Y306 AromaticContact CG-CE1 3.97Å; Y122-Y306 HydrophobicContact CG-CE1 3.97Å; Y122-G388 WeakPolarHBondContact CD1-O 3.39Å; Y122-G388 WeakPolarHBondContact CE1-O 3.43Å; Y122-Y392 HydrophobicContact CD1-CD2 4.41Å; Y122-Y392 AromaticContact CD2-CD2 3.94Å; Y122-Y392 HydrophobicContact CD2-CD2 3.94Å; Y122-Y392 HydrophobicContact CE2-CD2 4.13Å; Y122-Y392 HydrophobicContact CG-CD2 4.08Å; Y122-E395 PolarHBondContact OH-OE2 3.15Å; Y122-E395 VanDerWaalsContact OH-OE2 3.13Å; Y122-R396 HydrophobicContact CE2-CG 4.4Å |
| 123 | E | 95.9 | Very high | 93.8 | Very high | 74 Ų | 74 | 37.2 Ų | 37.2 | 35% | 0.346 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -77.9 | -19.8 | 170.4 | -67.6 | 178.3 | 171.1 | 0 | 0 | 111.7 | R120 P121 H128 R139 L223 R396 | R120-E123 HydrophobicContact CB-CG 3.96Å; R120-E123 VanDerWaalsContact CD-OE1 3.25Å; R120-E123 WeakPolarHBondContact CD-OE1 3.43Å; R120-E123 WeakPolarHBondContact O-CB 3.42Å; R120-E123 PolarHBondContact O-N 3.22Å; P121-E123 PolarHBondContact O-N 2.8Å; E123-H128 PolarHBondContact O-CE1 3.27Å; E123-R139 PolarHBondContact O-NH2 2.68Å; E123-L223 HydrophobicContact CG-CD2 3.75Å; E123-R396 IonicContact OE1-CZ 3.2Å; E123-R396 IonicContact OE1-NH1 2.73Å; E123-R396 IonicContact OE1-NH2 2.71Å; E123-R396 PolarHBondContact OE1-NH2 3.3Å |
| 124 | T | 95.2 | Very high | 93.6 | Very high | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.043 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -41.7 | -174.4 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | I105 D109 L113 P121 Y122 R139 S141 | I105-T124 HydrophobicContact CB-CG2 4.48Å; I105-T124 HydrophobicContact CG1-CG2 3.98Å; I105-T124 HydrophobicContact CG2-CG2 3.87Å; D109-T124 HydrophobicContact CB-CG2 4.16Å; L113-T124 HydrophobicContact CD1-CG2 3.8Å; P121-T124 PolarHBondContact O-N 2.83Å; Y122-T124 VanDerWaalsContact C-N 3.27Å; T124-R139 PolarHBondContact O-NH1 2.72Å; T124-S141 PolarHBondContact O-OG 2.95Å |
| 125 | L | 97 | Very high | 93.7 | Very high | 6 Ų | 6 | 38.5 Ų | 38.5 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -89.3 | 154.3 | 178.6 | -64.9 | 175.2 | 0 | 0 | 0 | 111.3 | L113 P121 H128 S141 I174 Y206 | L113-L125 HydrophobicContact CD1-CG 4.45Å; L113-L125 HydrophobicContact CD2-CD1 4.02Å; L113-L125 HydrophobicContact CD2-CG 4.43Å; P121-L125 HydrophobicContact CB-CD1 4.44Å; P121-L125 PolarHBondContact O-N 2.71Å; L125-H128 PolarHBondContact O-NE2 3.13Å; L125-S141 WeakPolarHBondContact CA-OG 3.36Å; L125-I174 HydrophobicContact CD2-CD1 4.08Å; L125-I174 HydrophobicContact CD2-CG1 4.33Å; L125-I174 HydrophobicContact CD2-CG2 3.85Å; L125-Y206 HydrophobicContact CB-CD1 4.09Å; L125-Y206 HydrophobicContact CB-CD2 3.6Å; L125-Y206 HydrophobicContact CB-CE1 4.19Å; L125-Y206 HydrophobicContact CB-CE2 3.74Å; L125-Y206 HydrophobicContact CB-CG 3.78Å; L125-Y206 HydrophobicContact CD1-CD2 4.14Å; L125-Y206 HydrophobicContact CD1-CE1 4.35Å; L125-Y206 HydrophobicContact CD1-CE2 3.39Å; L125-Y206 VanDerWaalsContact CD1-CZ 3.5Å; L125-Y206 HydrophobicContact CG-CD2 4.5Å; L125-Y206 HydrophobicContact CG-CE2 4.19Å |
| 126 | G | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 95.9 | -154.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | F140 S141 D204 | G126-F140 WeakPolarHBondContact O-CA 3.37Å; G126-S141 PolarHBondContact N-O 3.32Å; G126-S141 PolarHBondContact O-N 2.8Å; G126-S141 PolarHBondContact O-OG 3.18Å; G126-D204 VanDerWaalsContact CA-OD2 3.29Å; G126-D204 WeakPolarHBondContact CA-OD2 3.13Å |
| 127 | A | 97.3 | Very high | 94.1 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 2% | 0.017 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 120.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T138 R139 F140 Y188 | A127-T138 HydrophobicContact CB-CG2 3.93Å; A127-R139 WeakPolarHBondContact CA-O 3.37Å; A127-F140 HydrophobicContact CB-CD1 3.76Å; A127-F140 HydrophobicContact CB-CE1 3.67Å; A127-Y188 HydrophobicContact CB-CE1 3.83Å; A127-Y188 HydrophobicContact CB-CE2 4.21Å; A127-Y188 VanDerWaalsContact CB-OH 3.27Å; A127-Y188 WeakPolarHBondContact CB-OH 3.43Å |
| 128 | H | 95.8 | Very high | 94.3 | Very high | 20 Ų | 20 | 35 Ų | 35 | 9% | 0.093 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 120.1 | -177.9 | -68.3 | -88.2 | 0 | 0 | 0 | 111 | Y122 E123 L125 D130 T138 R139 F208 | Y122-H128 PolarHBondContact O-CE1 2.77Å; Y122-H128 PolarHBondContact O-NE2 3.1Å; Y122-H128 VanDerWaalsContact O-NE2 3.08Å; E123-H128 PolarHBondContact O-CE1 3.27Å; L125-H128 PolarHBondContact O-NE2 3.13Å; H128-D130 PolarHBondContact O-N 2.69Å; H128-T138 CarbonylContact O-C 3.57Å; H128-T138 WeakPolarHBondContact O-CA 3.14Å; H128-R139 PolarHBondContact N-O 2.97Å; H128-R139 PolarHBondContact O-N 2.9Å; H128-F208 AromaticContact CE1-CE2 3.67Å; H128-F208 AromaticContact CE1-CZ 3.67Å; H128-F208 AromaticContact NE2-CZ 3.89Å |
| 129 | A | 92.1 | Very high | 94.4 | Very high | 53 Ų | 53 | 35.9 Ų | 35.9 | 44% | 0.438 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 129.6 | 171 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 130 | D | 90.8 | Very high | 94.6 | Very high | 63 Ų | 63 | 33.3 Ų | 33.3 | 34% | 0.337 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 161.3 | -173.8 | -157.5 | -7.9 | 0 | 0 | 0 | 111.2 | H128 G137 F178 | H128-D130 PolarHBondContact O-N 2.69Å; D130-G137 PolarHBondContact N-O 2.6Å; D130-G137 PolarHBondContact O-N 2.71Å; D130-F178 HydrophobicContact CB-CE2 4.18Å |
| 131 | T | 93.2 | Very high | 94.6 | Very high | 82 Ų | 82 | 31 Ų | 31 | 50% | 0.503 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 102.6 | 173.5 | -63.5 | 0 | 0 | 0 | 0 | 110.3 | V135 | T131-V135 CarbonylContact C-O 3.57Å; T131-V135 WeakPolarHBondContact CA-O 3.13Å |
| 132 | M | 89.9 | Confident | 94.7 | Very high | 43 Ų | 43 | 31 Ų | 31 | 21% | 0.212 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 129.2 | -178.9 | -59.9 | -169.6 | 82.1 | 0 | 0 | 111 | F101 L104 G134 V135 F178 | F101-M132 HydrophobicContact CD1-CB 3.82Å; F101-M132 HydrophobicContact CD1-SD 4.29Å; F101-M132 HydrophobicContact CE1-CB 3.72Å; L104-M132 HydrophobicContact CD2-CE 3.51Å; L104-M132 HydrophobicContact CD2-SD 3.56Å; L104-M132 VanDerWaalsContact CD2-SD 3.56Å; M132-G134 PolarHBondContact O-N 2.96Å; M132-V135 PolarHBondContact N-O 2.86Å; M132-V135 WeakPolarHBondContact O-CB 3.5Å; M132-V135 PolarHBondContact O-N 3.11Å; M132-F178 HydrophobicContact CB-CE1 4.22Å; M132-F178 HydrophobicContact CB-CE2 4.49Å; M132-F178 HydrophobicContact CB-CZ 4.2Å; M132-F178 HydrophobicContact CG-CD2 4.06Å; M132-F178 HydrophobicContact CG-CE1 4.48Å; M132-F178 HydrophobicContact CG-CE2 3.98Å; M132-F178 HydrophobicContact CG-CG 4.35Å; M132-F178 HydrophobicContact CG-CZ 4.18Å; M132-F178 HydrophobicContact SD-CB 3.89Å; M132-F178 HydrophobicContact SD-CD1 4.14Å; M132-F178 HydrophobicContact SD-CD2 3.68Å; M132-F178 HydrophobicContact SD-CE2 4.22Å; M132-F178 HydrophobicContact SD-CG 3.63Å |
| 133 | D | 87.8 | Confident | 94.7 | Very high | 106 Ų | 106 | 31.5 Ų | 31.5 | 57% | 0.567 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 29.5 | -175.6 | -68.6 | -22.8 | 0 | 0 | 0 | 114.2 | R81 R100 F101 | R81-D133 VanDerWaalsContact CZ-O 3.27Å; R81-D133 PolarHBondContact NH1-O 2.9Å; R100-D133 IonicContact CZ-OD2 3.8Å; R100-D133 IonicContact NH1-OD2 3.85Å; R100-D133 PolarHBondContact NH1-OD2 2.82Å; R100-D133 IonicContact NH2-OD2 3.26Å; F101-D133 HydrophobicContact CE1-CB 4.5Å |
| 134 | G | 88.4 | Confident | 94.8 | Very high | 57 Ų | 57 | 28 Ų | 28 | 59% | 0.588 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72 | 28 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | M132 | M132-G134 PolarHBondContact O-N 2.96Š|
| 135 | V | 92.5 | Very high | 94.9 | Very high | 10 Ų | 10 | 29.4 Ų | 29.4 | 6% | 0.061 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 122.6 | 171.3 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | R81 D96 F101 T131 M132 F178 P180 | R81-V135 VanDerWaalsContact NH2-CG2 3.28Å; D96-V135 HydrophobicContact CB-CG1 4.14Å; D96-V135 WeakPolarHBondContact OD1-CG2 3.5Å; F101-V135 HydrophobicContact CZ-CB 4.22Å; F101-V135 HydrophobicContact CZ-CG1 4.41Å; F101-V135 HydrophobicContact CZ-CG2 4.38Å; T131-V135 CarbonylContact C-O 3.57Å; T131-V135 WeakPolarHBondContact CA-O 3.13Å; M132-V135 PolarHBondContact N-O 2.86Å; M132-V135 WeakPolarHBondContact O-CB 3.5Å; M132-V135 PolarHBondContact O-N 3.11Å; V135-F178 HydrophobicContact CG1-CE1 4.37Å; V135-F178 WeakPolarHBondContact O-CZ 3.16Å; V135-P180 HydrophobicContact CG1-CB 3.83Å; V135-P180 HydrophobicContact CG1-CG 4.34Å |
| 136 | T | 94.8 | Very high | 94.8 | Very high | 96 Ų | 96 | 32.5 Ų | 32.5 | 59% | 0.589 | 20% | 0.2 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 136.7 | 176 | -54.2 | 0 | 0 | 0 | 0 | 110.4 | G181 | T136-G181 PolarHBondContact O-N 2.82Å |
| 137 | G | 95.5 | Very high | 94.8 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.2 | -157.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111 | D130 I179 A182 | D130-G137 PolarHBondContact N-O 2.6Å; D130-G137 PolarHBondContact O-N 2.71Å; G137-I179 VanDerWaalsContact CA-O 3.29Å; G137-I179 WeakPolarHBondContact CA-O 3.31Å; G137-A182 CarbonylContact C-O 3.55Å; G137-A182 VanDerWaalsContact C-O 3.23Å; G137-A182 WeakPolarHBondContact CA-O 3.21Å |
| 138 | T | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 132.3 | 176.5 | -60.6 | 0 | 0 | 0 | 0 | 109.9 | A127 H128 F140 F178 I179 A182 I220 | A127-T138 HydrophobicContact CB-CG2 3.93Å; H128-T138 CarbonylContact O-C 3.57Å; H128-T138 WeakPolarHBondContact O-CA 3.14Å; T138-F140 HydrophobicContact CG2-CD1 4.4Å; T138-F140 HydrophobicContact CG2-CD2 4.06Å; T138-F140 HydrophobicContact CG2-CE1 3.94Å; T138-F140 HydrophobicContact CG2-CE2 3.55Å; T138-F140 HydrophobicContact CG2-CG 4.47Å; T138-F140 HydrophobicContact CG2-CZ 3.5Å; T138-F140 VanDerWaalsContact CG2-CZ 3.5Å; T138-F140 WeakPolarHBondContact O-CD2 3.49Å; T138-F178 WeakPolarHBondContact O-CA 3.21Å; T138-I179 PolarHBondContact N-O 3.03Å; T138-I179 VanDerWaalsContact N-O 3.15Å; T138-I179 PolarHBondContact O-N 3.38Å; T138-A182 PolarHBondContact N-O 3.36Å; T138-A182 PolarHBondContact OG1-O 3.16Å; T138-I220 HydrophobicContact CG2-CD1 4.39Å; T138-I220 HydrophobicContact CG2-CG2 3.84Å |
| 139 | R | 97 | Very high | 94.7 | Very high | 30 Ų | 30 | 38.6 Ų | 38.6 | 11% | 0.113 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 125.1 | 168.8 | 174.6 | 169.3 | 67.2 | 82.7 | 4 | 108.4 | L104 E123 T124 A127 H128 F178 | L104-R139 HydrophobicContact CB-CG 4.17Å; L104-R139 HydrophobicContact CD1-CG 3.79Å; E123-R139 PolarHBondContact O-NH2 2.68Å; T124-R139 PolarHBondContact O-NH1 2.72Å; A127-R139 WeakPolarHBondContact CA-O 3.37Å; H128-R139 PolarHBondContact N-O 2.97Å; H128-R139 PolarHBondContact O-N 2.9Å; R139-F178 HydrophobicContact CB-CD2 4.39Å |
| 140 | F | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 139.3 | 175.1 | -62.7 | -91.3 | 0 | 0 | 0 | 109.4 | G126 A127 T138 V152 F156 M166 E176 L177 I179 A182 Y188 Y190 I220 | G126-F140 WeakPolarHBondContact O-CA 3.37Å; A127-F140 HydrophobicContact CB-CD1 3.76Å; A127-F140 HydrophobicContact CB-CE1 3.67Å; T138-F140 HydrophobicContact CG2-CD1 4.4Å; T138-F140 HydrophobicContact CG2-CD2 4.06Å; T138-F140 HydrophobicContact CG2-CE1 3.94Å; T138-F140 HydrophobicContact CG2-CE2 3.55Å; T138-F140 HydrophobicContact CG2-CG 4.47Å; T138-F140 HydrophobicContact CG2-CZ 3.5Å; T138-F140 VanDerWaalsContact CG2-CZ 3.5Å; T138-F140 WeakPolarHBondContact O-CD2 3.49Å; F140-V152 HydrophobicContact CB-CG2 3.78Å; F140-V152 HydrophobicContact CD1-CG1 3.76Å; F140-V152 HydrophobicContact CD1-CG2 4.35Å; F140-V152 HydrophobicContact CD2-CG1 4.19Å; F140-V152 HydrophobicContact CD2-CG2 4.08Å; F140-V152 HydrophobicContact CE1-CG1 3.78Å; F140-V152 HydrophobicContact CE2-CG1 4.21Å; F140-V152 HydrophobicContact CG-CG1 3.96Å; F140-V152 HydrophobicContact CG-CG2 3.81Å; F140-V152 HydrophobicContact CZ-CG1 4Å; F140-F156 HydrophobicContact CZ-CE1 4.2Å; F140-F156 HydrophobicContact CZ-CZ 4.22Å; F140-M166 HydrophobicContact CB-CE 3.92Å; F140-M166 WeakPolarHBondContact O-CE 3.06Å; F140-E176 CarbonylContact O-C 3.59Å; F140-E176 VanDerWaalsContact O-CA 3.24Å; F140-E176 WeakPolarHBondContact O-CA 3.41Å; F140-L177 PolarHBondContact N-O 3.29Å; F140-L177 PolarHBondContact O-N 2.96Å; F140-I179 HydrophobicContact CD2-CD1 3.97Å; F140-I179 HydrophobicContact CD2-CG1 4.05Å; F140-I179 HydrophobicContact CE2-CB 4.08Å; F140-I179 HydrophobicContact CE2-CD1 3.79Å; F140-I179 HydrophobicContact CE2-CG1 3.98Å; F140-A182 HydrophobicContact CE2-CB 4.29Å; F140-A182 HydrophobicContact CZ-CB 4.46Å; F140-Y188 AromaticContact CD1-CD2 3.86Å; F140-Y188 HydrophobicContact CD1-CD2 3.86Å; F140-Y188 AromaticContact CD1-CE2 3.79Å; F140-Y188 HydrophobicContact CD1-CE2 3.79Å; F140-Y188 HydrophobicContact CE1-CD1 4.18Å; F140-Y188 AromaticContact CE1-CD2 3.55Å; F140-Y188 HydrophobicContact CE1-CD2 3.55Å; F140-Y188 HydrophobicContact CE1-CE1 4.36Å; F140-Y188 AromaticContact CE1-CE2 3.78Å; F140-Y188 HydrophobicContact CE1-CE2 3.78Å; F140-Y188 AromaticContact CE1-CG 3.77Å; F140-Y188 HydrophobicContact CE1-CG 3.77Å; F140-Y190 HydrophobicContact CB-CE1 4.31Å; F140-I220 HydrophobicContact CE1-CD1 4.16Å; F140-I220 HydrophobicContact CE1-CG1 4.16Å; F140-I220 HydrophobicContact CZ-CD1 3.6Å; F140-I220 HydrophobicContact CZ-CG1 4.11Å |
| 141 | S | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 129.4 | 179.1 | 36.1 | 0 | 0 | 0 | 0 | 111.2 | T124 L125 G126 W175 | T124-S141 PolarHBondContact O-OG 2.95Å; L125-S141 WeakPolarHBondContact CA-OG 3.36Å; G126-S141 PolarHBondContact N-O 3.32Å; G126-S141 PolarHBondContact O-N 2.8Å; G126-S141 PolarHBondContact O-OG 3.18Å; S141-W175 CarbonylContact C-O 3.38Å; S141-W175 WeakPolarHBondContact CA-O 3Å |
| 142 | V | 98.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 136.2 | -177.7 | 64.2 | 0 | 0 | 0 | 0 | 111.5 | V150 M166 W175 Y190 F351 | V142-V150 HydrophobicContact CG1-CG1 3.93Å; V142-M166 HydrophobicContact CG1-CE 4.37Å; V142-M166 HydrophobicContact CG1-SD 4.32Å; V142-W175 HydrophobicContact CG1-CB 4.05Å; V142-W175 PolarHBondContact N-O 3.35Å; V142-W175 PolarHBondContact O-N 3.23Å; V142-Y190 HydrophobicContact CB-CD1 4.43Å; V142-Y190 HydrophobicContact CB-CD2 3.96Å; V142-Y190 HydrophobicContact CB-CE1 4.1Å; V142-Y190 HydrophobicContact CB-CE2 3.55Å; V142-Y190 HydrophobicContact CB-CG 4.39Å; V142-Y190 HydrophobicContact CG1-CD1 3.87Å; V142-Y190 HydrophobicContact CG1-CD2 4.1Å; V142-Y190 HydrophobicContact CG1-CE1 3.84Å; V142-Y190 HydrophobicContact CG1-CE2 4.05Å; V142-Y190 HydrophobicContact CG1-CG 4.02Å; V142-Y190 HydrophobicContact CG2-CD2 3.77Å; V142-Y190 HydrophobicContact CG2-CE2 3.67Å; V142-Y190 HydrophobicContact CG2-CG 4.45Å; V142-F351 HydrophobicContact CG2-CE1 3.69Å; V142-F351 HydrophobicContact CG2-CZ 3.75Å |
| 143 | W | 97.7 | Very high | 95.9 | Very high | 11 Ų | 11 | 27.1 Ų | 27.1 | 4% | 0.042 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 117 | 175.4 | -179.5 | 65.1 | 0 | 0 | 0 | 110.1 | P145 I174 F351 L356 Y357 R379 E381 V382 | W143-P145 HydrophobicContact CZ2-CG 4.27Å; W143-I174 HydrophobicContact CB-CG1 4.39Å; W143-F351 WeakPolarHBondContact O-CE1 3.44Å; W143-L356 HydrophobicContact CD2-CD1 4.39Å; W143-L356 HydrophobicContact CD2-CD2 4.35Å; W143-L356 HydrophobicContact CE3-CD1 4.17Å; W143-L356 HydrophobicContact CE3-CD2 3.83Å; W143-L356 HydrophobicContact CE3-CG 3.97Å; W143-L356 HydrophobicContact CH2-CD1 3.38Å; W143-L356 HydrophobicContact CH2-CD2 4.45Å; W143-L356 HydrophobicContact CH2-CG 3.73Å; W143-L356 HydrophobicContact CZ2-CD1 3.63Å; W143-L356 HydrophobicContact CZ2-CG 4.39Å; W143-L356 HydrophobicContact CZ3-CD1 3.68Å; W143-L356 HydrophobicContact CZ3-CD2 3.91Å; W143-L356 HydrophobicContact CZ3-CG 3.5Å; W143-L356 VanDerWaalsContact CZ3-CG 3.5Å; W143-Y357 HydrophobicContact CE3-CE1 4.39Å; W143-Y357 HydrophobicContact CE3-CE2 4.39Å; W143-Y357 HydrophobicContact CZ3-CE1 4.27Å; W143-Y357 HydrophobicContact CZ3-CE2 4.47Å; W143-R379 HydrophobicContact CH2-CG 4.37Å; W143-E381 HydrophobicContact CD2-CB 4.1Å; W143-E381 HydrophobicContact CE3-CB 4.25Å; W143-E381 HydrophobicContact CH2-CB 3.69Å; W143-E381 HydrophobicContact CH2-CG 4.38Å; W143-E381 HydrophobicContact CZ2-CB 3.49Å; W143-E381 VanDerWaalsContact CZ2-CB 3.49Å; W143-E381 HydrophobicContact CZ2-CG 3.68Å; W143-E381 WeakPolarHBondContact CZ2-OE1 3.36Å; W143-E381 HydrophobicContact CZ3-CB 4.06Å; W143-V382 HydrophobicContact CH2-CG2 4.02Å; W143-V382 HydrophobicContact CZ3-CG2 4.02Å |
| 144 | A | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -157.8 | 65.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | N146 A147 V150 G173 W175 F351 D352 | A144-N146 VanDerWaalsContact C-N 3.26Å; A144-N146 PolarHBondContact O-N 3.29Å; A144-A147 HydrophobicContact CB-CB 4Å; A144-A147 WeakPolarHBondContact O-CB 3.44Å; A144-A147 PolarHBondContact O-N 3.2Å; A144-V150 HydrophobicContact CB-CG2 4.13Å; A144-G173 CarbonylContact C-O 3.56Å; A144-G173 PolarHBondContact N-O 2.62Å; A144-W175 PolarHBondContact O-NE1 3.23Å; A144-F351 HydrophobicContact CB-CD1 4.38Å; A144-F351 HydrophobicContact CB-CE1 4.27Å; A144-D352 HydrophobicContact CB-CB 3.97Å | ||
| 145 | P | 96.6 | Very high | 96.6 | Very high | 37 Ų | 37 | 23.7 Ų | 23.7 | 24% | 0.24 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -30.6 | -166.5 | 21.1 | -32.1 | 0 | 0 | 0 | 114.1 | W143 D352 L356 | W143-P145 HydrophobicContact CZ2-CG 4.27Å; P145-D352 WeakPolarHBondContact CD-OD2 3.44Å; P145-L356 HydrophobicContact CG-CD1 3.73Å |
| 146 | N | 96.8 | Very high | 96.6 | Very high | 71 Ų | 71 | 25.2 Ų | 25.2 | 38% | 0.38 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -7.8 | -176.1 | -50.6 | -76.3 | 0 | 0 | 0 | 113.5 | A144 R148 A195 D352 T354 | A144-N146 VanDerWaalsContact C-N 3.26Å; A144-N146 PolarHBondContact O-N 3.29Å; N146-R148 PolarHBondContact O-N 2.79Å; N146-A195 HydrophobicContact CB-CB 4.01Å; N146-D352 VanDerWaalsContact CB-OD2 3.27Å; N146-D352 WeakPolarHBondContact CB-OD2 3.42Å; N146-D352 PolarHBondContact N-OD2 3.31Å; N146-D352 PolarHBondContact ND2-OD2 3.22Å; N146-T354 HydrophobicContact CB-CG2 3.76Å; N146-T354 PolarHBondContact ND2-OG1 3.49Å; N146-T354 VanDerWaalsContact ND2-OG1 3.16Å |
| 147 | A | 96.8 | Very high | 96.5 | Very high | 7 Ų | 7 | 20.7 Ų | 20.7 | 6% | 0.058 | 10% | 0.095 | C | C | . | . | trans | -59.4 | 138.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | A144 R149 V150 W175 D352 | A144-A147 HydrophobicContact CB-CB 4Å; A144-A147 WeakPolarHBondContact O-CB 3.44Å; A144-A147 PolarHBondContact O-N 3.2Å; A147-R149 VanDerWaalsContact C-N 3.34Å; A147-V150 HydrophobicContact CB-CG2 3.79Å; A147-W175 HydrophobicContact CB-CZ2 4.48Å; A147-W175 WeakPolarHBondContact O-CZ2 3.36Å; A147-D352 HydrophobicContact CB-CB 4.19Å | ||
| 148 | R | 95.5 | Very high | 96.4 | Very high | 139 Ų | 139 | 29.2 Ų | 29.2 | 53% | 0.525 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -77.4 | -26.4 | 176.3 | -62.2 | -179.9 | -175.5 | -171.2 | 3.9 | 111.7 | A19 N146 I193 D194 A195 | A19-R148 WeakPolarHBondContact CB-O 3.38Å; N146-R148 PolarHBondContact O-N 2.79Å; R148-I193 HydrophobicContact CB-CB 4.35Å; R148-I193 HydrophobicContact CB-CG2 4.05Å; R148-I193 PolarHBondContact N-O 3.49Å; R148-D194 WeakPolarHBondContact CG-O 3.23Å; R148-A195 VanDerWaalsContact CZ-O 3.26Å; R148-A195 PolarHBondContact NE-O 2.71Å; R148-A195 PolarHBondContact NH2-O 3.44Å |
| 149 | R | 95 | Very high | 96.2 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 1% | 0.011 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 141.9 | 174.7 | -178 | -160.9 | 56.8 | 70.5 | -7.2 | 109.2 | G16 A147 S151 P165 E191 M192 I193 | G16-R149 WeakPolarHBondContact O-CD 3.44Å; G16-R149 PolarHBondContact O-NE 2.68Å; A147-R149 VanDerWaalsContact C-N 3.34Å; R149-S151 PolarHBondContact NH1-OG 2.89Å; R149-P165 HydrophobicContact CG-CB 4.46Å; R149-E191 IonicContact CZ-OE1 2.7Å; R149-E191 PolarHBondContact NH1-O 2.79Å; R149-E191 IonicContact NH1-OE1 3.39Å; R149-E191 IonicContact NH2-OE1 3.39Å; R149-E191 PolarHBondContact NH2-OE1 2.78Å; R149-M192 CarbonylContact O-C 3.14Å; R149-M192 WeakPolarHBondContact O-CA 3.27Å; R149-M192 VanDerWaalsContact O-CB 3.28Å; R149-M192 WeakPolarHBondContact O-CB 3.27Å; R149-I193 HydrophobicContact CB-CB 4.38Å; R149-I193 HydrophobicContact CB-CD1 4.46Å; R149-I193 PolarHBondContact N-O 2.99Å; R149-I193 PolarHBondContact O-N 3.48Å |
| 150 | V | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 142.5 | 163.1 | -173 | 0 | 0 | 0 | 0 | 110.3 | V142 A144 A147 P165 M166 W175 Y190 M192 | V142-V150 HydrophobicContact CG1-CG1 3.93Å; A144-V150 HydrophobicContact CB-CG2 4.13Å; A147-V150 HydrophobicContact CB-CG2 3.79Å; V150-P165 WeakPolarHBondContact O-CA 3.31Å; V150-M166 HydrophobicContact CB-SD 4.18Å; V150-M166 HydrophobicContact CG1-SD 3.58Å; V150-M166 VanDerWaalsContact CG1-SD 3.58Å; V150-M166 WeakPolarHBondContact O-CB 3.23Å; V150-M166 PolarHBondContact O-N 2.95Å; V150-W175 HydrophobicContact CB-CB 4.08Å; V150-W175 HydrophobicContact CB-CD2 3.68Å; V150-W175 HydrophobicContact CB-CE3 3.96Å; V150-W175 HydrophobicContact CB-CG 3.73Å; V150-W175 HydrophobicContact CG2-CB 4.27Å; V150-W175 HydrophobicContact CG2-CD2 3.56Å; V150-W175 HydrophobicContact CG2-CE3 4.27Å; V150-W175 HydrophobicContact CG2-CG 3.53Å; V150-W175 HydrophobicContact CG2-CZ2 4.35Å; V150-Y190 HydrophobicContact CG1-CD1 4.1Å; V150-Y190 HydrophobicContact CG1-CG 4.38Å; V150-M192 HydrophobicContact CB-CB 4.48Å; V150-M192 HydrophobicContact CG2-CB 3.99Å |
| 151 | S | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 147.9 | 171.7 | -69.3 | 0 | 0 | 0 | 0 | 110 | R149 G161 H164 P165 Y190 E191 | R149-S151 PolarHBondContact NH1-OG 2.89Å; S151-G161 WeakPolarHBondContact CB-O 3.37Å; S151-G161 PolarHBondContact OG-O 3.01Å; S151-H164 VanDerWaalsContact CA-O 3.31Å; S151-H164 WeakPolarHBondContact CA-O 3.48Å; S151-H164 WeakPolarHBondContact CB-O 3.38Å; S151-P165 WeakPolarHBondContact OG-CA 3.38Å; S151-P165 WeakPolarHBondContact OG-CB 3.17Å; S151-Y190 WeakPolarHBondContact O-CA 3.47Å; S151-E191 PolarHBondContact N-O 2.63Å; S151-E191 PolarHBondContact O-N 3.08Å |
| 152 | V | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 126.9 | 167.8 | -162.9 | 0 | 0 | 0 | 0 | 108.7 | F140 F156 N157 H164 M166 I179 Y188 Y190 | F140-V152 HydrophobicContact CB-CG2 3.78Å; F140-V152 HydrophobicContact CD1-CG1 3.76Å; F140-V152 HydrophobicContact CD1-CG2 4.35Å; F140-V152 HydrophobicContact CD2-CG1 4.19Å; F140-V152 HydrophobicContact CD2-CG2 4.08Å; F140-V152 HydrophobicContact CE1-CG1 3.78Å; F140-V152 HydrophobicContact CE2-CG1 4.21Å; F140-V152 HydrophobicContact CG-CG1 3.96Å; F140-V152 HydrophobicContact CG-CG2 3.81Å; F140-V152 HydrophobicContact CZ-CG1 4Å; V152-F156 HydrophobicContact CB-CZ 4.43Å; V152-F156 HydrophobicContact CG1-CZ 3.76Å; V152-N157 PolarHBondContact O-ND2 3.11Å; V152-H164 PolarHBondContact N-O 3.45Å; V152-H164 VanDerWaalsContact N-O 3.11Å; V152-M166 HydrophobicContact CG2-CE 4.03Å; V152-M166 HydrophobicContact CG2-CG 3.86Å; V152-M166 HydrophobicContact CG2-SD 3.6Å; V152-M166 VanDerWaalsContact CG2-SD 3.6Å; V152-I179 HydrophobicContact CB-CD1 3.73Å; V152-I179 HydrophobicContact CG1-CD1 4.14Å; V152-I179 HydrophobicContact CG2-CD1 4.02Å; V152-Y188 HydrophobicContact CG1-CD2 4.13Å; V152-Y190 HydrophobicContact CG2-CD1 4.45Å; V152-Y190 HydrophobicContact CG2-CE1 4.21Å |
| 153 | V | 97.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 142.9 | 175.2 | -67.9 | 0 | 0 | 0 | 0 | 110 | W159 Y188 K189 E191 L201 | V153-W159 HydrophobicContact CB-CE3 4.1Å; V153-W159 HydrophobicContact CG2-CE3 3.85Å; V153-W159 HydrophobicContact CG2-CZ3 4.25Å; V153-Y188 CarbonylContact O-C 3.56Å; V153-Y188 WeakPolarHBondContact O-CA 3.45Å; V153-Y188 WeakPolarHBondContact O-CB 3.44Å; V153-K189 HydrophobicContact CG2-CB 4.09Å; V153-K189 WeakPolarHBondContact CG2-O 3.45Å; V153-K189 PolarHBondContact N-O 3.25Å; V153-K189 PolarHBondContact O-N 2.75Å; V153-E191 HydrophobicContact CB-CB 4.48Å; V153-E191 HydrophobicContact CG1-CB 3.72Å; V153-E191 HydrophobicContact CG2-CB 3.9Å; V153-L201 HydrophobicContact CG2-CD1 3.51Å |
| 154 | G | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.9 | -170 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F156 N157 Y158 W159 L187 | G154-F156 VanDerWaalsContact C-N 3.25Å; G154-F156 PolarHBondContact O-N 2.68Å; G154-N157 PolarHBondContact N-OD1 3.35Å; G154-N157 PolarHBondContact O-N 2.86Å; G154-N157 PolarHBondContact O-OD1 2.89Å; G154-Y158 PolarHBondContact O-N 2.91Å; G154-Y158 VanDerWaalsContact O-N 3.11Å; G154-W159 PolarHBondContact O-N 3.26Å; G154-L187 WeakPolarHBondContact CA-O 3.33Å |
| 155 | Q | 95.4 | Very high | 94.2 | Very high | 91 Ų | 91 | 43.4 Ų | 43.4 | 43% | 0.425 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -59 | -36.3 | -179 | -70.3 | 173.7 | -33.8 | 0 | 0 | 112.8 | N157 Y158 Q186 L187 | Q155-N157 PolarHBondContact O-N 3.07Å; Q155-Y158 PolarHBondContact O-N 3.15Å; Q155-Q186 VanDerWaalsContact OE1-CA 3.29Å; Q155-L187 HydrophobicContact CG-CB 4.23Å; Q155-L187 PolarHBondContact N-O 2.91Å; Q155-L187 VanDerWaalsContact N-O 3.11Å; Q155-L187 VanDerWaalsContact OE1-N 3.13Å |
| 156 | F | 93.2 | Very high | 94.2 | Very high | 42 Ų | 42 | 41.7 Ų | 41.7 | 18% | 0.184 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -69.1 | -14.4 | -178.4 | 54.2 | -97.6 | 0 | 0 | 0 | 114.3 | F140 V152 G154 H164 I179 A182 I220 | F140-F156 HydrophobicContact CZ-CE1 4.2Å; F140-F156 HydrophobicContact CZ-CZ 4.22Å; V152-F156 HydrophobicContact CB-CZ 4.43Å; V152-F156 HydrophobicContact CG1-CZ 3.76Å; G154-F156 VanDerWaalsContact C-N 3.25Å; G154-F156 PolarHBondContact O-N 2.68Å; F156-H164 AromaticContact CD2-CE1 3.87Å; F156-H164 AromaticContact CD2-ND1 3.87Å; F156-H164 AromaticContact CE2-ND1 3.61Å; F156-I179 HydrophobicContact CD2-CD1 4.4Å; F156-I179 HydrophobicContact CD2-CG2 3.98Å; F156-I179 HydrophobicContact CE2-CD1 3.47Å; F156-I179 VanDerWaalsContact CE2-CD1 3.47Å; F156-I179 HydrophobicContact CE2-CG2 4.06Å; F156-I179 HydrophobicContact CZ-CD1 3.8Å; F156-A182 HydrophobicContact CD1-CB 4.11Å; F156-A182 HydrophobicContact CE1-CB 4.38Å; F156-A182 HydrophobicContact CG-CB 4.33Å; F156-I220 HydrophobicContact CD1-CD1 4.46Å; F156-I220 HydrophobicContact CE1-CD1 4.14Å |
| 157 | N | 91.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -131.7 | 21 | 176.4 | 69.3 | -3.3 | 0 | 0 | 0 | 113.7 | V152 G154 Q155 W159 D160 R163 H164 | V152-N157 PolarHBondContact O-ND2 3.11Å; G154-N157 PolarHBondContact N-OD1 3.35Å; G154-N157 PolarHBondContact O-N 2.86Å; G154-N157 PolarHBondContact O-OD1 2.89Å; Q155-N157 PolarHBondContact O-N 3.07Å; N157-W159 PolarHBondContact O-N 3.4Å; N157-W159 PolarHBondContact OD1-N 3.27Å; N157-D160 WeakPolarHBondContact O-CB 3.44Å; N157-D160 PolarHBondContact O-N 3.01Å; N157-D160 VanDerWaalsContact O-N 3.14Å; N157-R163 HydrophobicContact CB-CB 4.22Å; N157-H164 WeakPolarHBondContact CB-ND1 3.37Å; N157-H164 PolarHBondContact ND2-ND1 2.91Å |
| 158 | Y | 92.3 | Very high | 94.1 | Very high | 181 Ų | 181 | 41.7 Ų | 41.7 | 71% | 0.71 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 31.8 | 178.5 | -49.1 | -81 | 0 | 0 | 0 | 113.7 | G154 Q155 D160 | G154-Y158 PolarHBondContact O-N 2.91Å; G154-Y158 VanDerWaalsContact O-N 3.11Å; Q155-Y158 PolarHBondContact O-N 3.15Å; Y158-D160 PolarHBondContact O-N 2.85Å |
| 159 | W | 94.3 | Very high | 94 | Very high | 103 Ų | 103 | 36.1 Ų | 36.1 | 39% | 0.39 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 27 | -177.8 | -55.3 | 92.6 | 0 | 0 | 0 | 114.8 | V153 G154 N157 L187 K189 A217 | V153-W159 HydrophobicContact CB-CE3 4.1Å; V153-W159 HydrophobicContact CG2-CE3 3.85Å; V153-W159 HydrophobicContact CG2-CZ3 4.25Å; G154-W159 PolarHBondContact O-N 3.26Å; N157-W159 PolarHBondContact O-N 3.4Å; N157-W159 PolarHBondContact OD1-N 3.27Å; W159-L187 HydrophobicContact CH2-CB 4.22Å; W159-L187 HydrophobicContact CZ2-CB 4.04Å; W159-K189 HydrophobicContact CH2-CG 4.46Å; W159-K189 HydrophobicContact CZ3-CB 4.02Å; W159-K189 HydrophobicContact CZ3-CD 4.33Å; W159-K189 HydrophobicContact CZ3-CG 3.96Å; W159-A217 HydrophobicContact CH2-CB 3.8Å |
| 160 | D | 90.8 | Very high | 93.6 | Very high | 28 Ų | 28 | 44.2 Ų | 44.2 | 15% | 0.15 | 19% | 0.186 | C | C | . | . | trans | -98.6 | 103.1 | 179.4 | -177.5 | -1.5 | 0 | 0 | 0 | 111.7 | N157 Y158 R162 R163 | N157-D160 WeakPolarHBondContact O-CB 3.44Å; N157-D160 PolarHBondContact O-N 3.01Å; N157-D160 VanDerWaalsContact O-N 3.14Å; Y158-D160 PolarHBondContact O-N 2.85Å; D160-R162 PolarHBondContact O-N 2.7Å; D160-R162 VanDerWaalsContact O-N 3.1Å; D160-R162 WeakPolarHBondContact OD1-CB 3.24Å; D160-R162 IonicContact OD1-CZ 2.81Å; D160-R162 PolarHBondContact OD1-N 2.89Å; D160-R162 VanDerWaalsContact OD1-N 3.12Å; D160-R162 IonicContact OD1-NE 2.73Å; D160-R162 PolarHBondContact OD1-NE 2.9Å; D160-R162 IonicContact OD1-NH2 3.18Å; D160-R162 IonicContact OD2-CZ 2.62Å; D160-R162 IonicContact OD2-NE 3.4Å; D160-R162 PolarHBondContact OD2-NE 2.57Å; D160-R162 IonicContact OD2-NH2 2.95Å; D160-R162 PolarHBondContact OD2-NH2 2.8Å; D160-R163 HydrophobicContact CB-CG 4.18Å; D160-R163 PolarHBondContact O-N 3.12Å; D160-R163 VanDerWaalsContact O-N 3.16Å; D160-R163 IonicContact OD2-NE 3.4Å | ||
| 161 | G | 89.3 | Confident | 93.1 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -9.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | S151 R163 E191 | S151-G161 WeakPolarHBondContact CB-O 3.37Å; S151-G161 PolarHBondContact OG-O 3.01Å; G161-R163 VanDerWaalsContact C-N 3.29Å; G161-R163 PolarHBondContact O-N 2.83Å; G161-E191 WeakPolarHBondContact CA-OE1 3.32Å |
| 162 | R | 86.4 | Confident | 92.7 | Very high | 108 Ų | 108 | 50 Ų | 50 | 41% | 0.408 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -19.2 | 173.9 | -59.1 | 169.9 | -62.6 | 169.3 | 6.4 | 112.9 | I14 D160 | I14-R162 WeakPolarHBondContact O-CD 3.37Å; D160-R162 PolarHBondContact O-N 2.7Å; D160-R162 VanDerWaalsContact O-N 3.1Å; D160-R162 WeakPolarHBondContact OD1-CB 3.24Å; D160-R162 IonicContact OD1-CZ 2.81Å; D160-R162 PolarHBondContact OD1-N 2.89Å; D160-R162 VanDerWaalsContact OD1-N 3.12Å; D160-R162 IonicContact OD1-NE 2.73Å; D160-R162 PolarHBondContact OD1-NE 2.9Å; D160-R162 IonicContact OD1-NH2 3.18Å; D160-R162 IonicContact OD2-CZ 2.62Å; D160-R162 IonicContact OD2-NE 3.4Å; D160-R162 PolarHBondContact OD2-NE 2.57Å; D160-R162 IonicContact OD2-NH2 2.95Å; D160-R162 PolarHBondContact OD2-NH2 2.8Å |
| 163 | R | 89.2 | Confident | 92.5 | Very high | 68 Ų | 68 | 50.4 Ų | 50.4 | 26% | 0.257 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -82.9 | -33.6 | -172.2 | -65.7 | -178.1 | 174.5 | -143.3 | -2.9 | 113.9 | N157 D160 G161 P165 | N157-R163 HydrophobicContact CB-CB 4.22Å; D160-R163 HydrophobicContact CB-CG 4.18Å; D160-R163 PolarHBondContact O-N 3.12Å; D160-R163 VanDerWaalsContact O-N 3.16Å; D160-R163 IonicContact OD2-NE 3.4Å; G161-R163 VanDerWaalsContact C-N 3.29Å; G161-R163 PolarHBondContact O-N 2.83Å; R163-P165 VanDerWaalsContact C-CD 3.49Å |
| 164 | H | 93.6 | Very high | 92.4 | Very high | 26 Ų | 26 | 50.5 Ų | 50.5 | 12% | 0.12 | 22% | 0.219 | C | C | . | . | trans | -134.1 | 54 | -174.1 | -62.7 | 132.2 | 0 | 0 | 0 | 113.7 | S151 V152 F156 N157 L177 I179 | S151-H164 VanDerWaalsContact CA-O 3.31Å; S151-H164 WeakPolarHBondContact CA-O 3.48Å; S151-H164 WeakPolarHBondContact CB-O 3.38Å; V152-H164 PolarHBondContact N-O 3.45Å; V152-H164 VanDerWaalsContact N-O 3.11Å; F156-H164 AromaticContact CD2-CE1 3.87Å; F156-H164 AromaticContact CD2-ND1 3.87Å; F156-H164 AromaticContact CE2-ND1 3.61Å; N157-H164 WeakPolarHBondContact CB-ND1 3.37Å; N157-H164 PolarHBondContact ND2-ND1 2.91Å; H164-L177 HydrophobicContact CB-CD2 3.71Å; H164-L177 WeakPolarHBondContact O-CD2 3.45Å; H164-I179 HydrophobicContact CB-CD1 3.89Å | ||
| 165 | P | 95.1 | Very high | 92.4 | Very high | 6 Ų | 6 | 50.6 Ų | 50.6 | 4% | 0.039 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -61.8 | 138.7 | 166.2 | 27.2 | -35.5 | 0 | 0 | 0 | 112.2 | P21 Y99 R149 V150 S151 R163 | P21-P165 HydrophobicContact CB-CB 4.39Å; P21-P165 HydrophobicContact CB-CG 4.02Å; P21-P165 HydrophobicContact CG-CB 4.01Å; P21-P165 HydrophobicContact CG-CG 4.15Å; Y99-P165 WeakPolarHBondContact CE1-O 3.42Å; Y99-P165 WeakPolarHBondContact OH-CD 3.36Å; Y99-P165 WeakPolarHBondContact OH-CG 2.99Å; Y99-P165 PolarHBondContact OH-O 2.94Å; R149-P165 HydrophobicContact CG-CB 4.46Å; V150-P165 WeakPolarHBondContact O-CA 3.31Å; S151-P165 WeakPolarHBondContact OG-CA 3.38Å; S151-P165 WeakPolarHBondContact OG-CB 3.17Å; R163-P165 VanDerWaalsContact C-CD 3.49Å |
| 166 | M | 96.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -90.5 | 165.7 | -172 | -58.2 | 178.2 | 76.9 | 0 | 0 | 111.9 | P21 F140 V142 V150 V152 W175 L177 Y190 | P21-M166 WeakPolarHBondContact CG-O 3.48Å; F140-M166 HydrophobicContact CB-CE 3.92Å; F140-M166 WeakPolarHBondContact O-CE 3.06Å; V142-M166 HydrophobicContact CG1-CE 4.37Å; V142-M166 HydrophobicContact CG1-SD 4.32Å; V150-M166 HydrophobicContact CB-SD 4.18Å; V150-M166 HydrophobicContact CG1-SD 3.58Å; V150-M166 VanDerWaalsContact CG1-SD 3.58Å; V150-M166 WeakPolarHBondContact O-CB 3.23Å; V150-M166 PolarHBondContact O-N 2.95Å; V152-M166 HydrophobicContact CG2-CE 4.03Å; V152-M166 HydrophobicContact CG2-CG 3.86Å; V152-M166 HydrophobicContact CG2-SD 3.6Å; V152-M166 VanDerWaalsContact CG2-SD 3.6Å; M166-W175 HydrophobicContact CB-CB 4.07Å; M166-W175 HydrophobicContact CB-CE3 3.96Å; M166-W175 HydrophobicContact CE-CB 4.18Å; M166-W175 WeakPolarHBondContact CE-O 3.38Å; M166-W175 WeakPolarHBondContact O-CZ3 3.32Å; M166-W175 HydrophobicContact SD-CB 4.18Å; M166-L177 HydrophobicContact CB-CB 4.22Å; M166-L177 HydrophobicContact CE-CB 4.3Å; M166-L177 HydrophobicContact CG-CB 3.83Å; M166-L177 HydrophobicContact CG-CD2 4.33Å; M166-Y190 HydrophobicContact CE-CE1 4.12Å; M166-Y190 HydrophobicContact SD-CD1 3.97Å; M166-Y190 HydrophobicContact SD-CE1 3.98Å |
| 167 | R | 95.5 | Very high | 92.7 | Very high | 28 Ų | 28 | 44.2 Ų | 44.2 | 11% | 0.106 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 130.6 | 172.2 | 179.8 | 165.8 | 50.7 | -140.3 | -15.8 | 110.4 | F22 F101 G102 P103 W175 E176 | F22-R167 HydrophobicContact CD2-CB 3.5Å; F22-R167 HydrophobicContact CD2-CG 4.13Å; F22-R167 VanDerWaalsContact CE1-NH1 3.33Å; F22-R167 HydrophobicContact CE2-CB 3.56Å; F22-R167 HydrophobicContact CG-CB 4.31Å; F22-R167 HydrophobicContact CZ-CB 4.4Å; F101-R167 PolarHBondContact O-NH1 2.82Å; G102-R167 VanDerWaalsContact C-NH1 3.34Å; G102-R167 VanDerWaalsContact C-NH2 3.25Å; G102-R167 PolarHBondContact O-NH1 2.81Å; G102-R167 PolarHBondContact O-NH2 3.21Å; P103-R167 VanDerWaalsContact CA-NH2 3.29Å; R167-W175 CarbonylContact O-C 3.25Å; R167-W175 VanDerWaalsContact O-CA 3.23Å; R167-W175 WeakPolarHBondContact O-CA 3.35Å; R167-E176 HydrophobicContact CB-CG 4.3Å; R167-E176 IonicContact CZ-OE1 3.52Å; R167-E176 PolarHBondContact N-O 3Å; R167-E176 IonicContact NE-OE1 3.65Å; R167-E176 PolarHBondContact NE-OE1 2.96Å; R167-E176 IonicContact NH2-OE1 3.56Å; R167-E176 PolarHBondContact NH2-OE1 2.89Å; R167-E176 PolarHBondContact O-N 3.3Å |
| 168 | L | 95.4 | Very high | 93 | Very high | 50 Ų | 50 | 44.3 Ų | 44.3 | 26% | 0.262 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 124.5 | 168.3 | 177.2 | 59.7 | 0 | 0 | 0 | 111.2 | K170 W175 | L168-K170 HydrophobicContact CD2-CG 4.41Å; L168-K170 HydrophobicContact CG-CG 4.38Å; L168-K170 PolarHBondContact O-N 2.82Å; L168-W175 HydrophobicContact CB-CD2 4.02Å; L168-W175 HydrophobicContact CB-CE3 4Å; L168-W175 HydrophobicContact CB-CH2 3.88Å; L168-W175 HydrophobicContact CB-CZ2 3.89Å; L168-W175 HydrophobicContact CB-CZ3 3.94Å; L168-W175 HydrophobicContact CD1-CD2 4.28Å; L168-W175 HydrophobicContact CD1-CG 4.39Å; L168-W175 HydrophobicContact CD1-CZ2 4.28Å; L168-W175 HydrophobicContact CD2-CH2 4.49Å; L168-W175 HydrophobicContact CD2-CZ2 4.02Å; L168-W175 HydrophobicContact CG-CZ2 4.28Å |
| 169 | R | 92.3 | Very high | 93.2 | Very high | 22 Ų | 22 | 35.8 Ų | 35.8 | 8% | 0.083 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 99.1 | 164.9 | -59 | -62.7 | -66.3 | -90.6 | -3 | 108 | I105 E171 S172 G173 I174 E176 | I105-R169 PolarHBondContact O-NH1 2.91Å; R169-E171 IonicContact CZ-OE1 2.86Å; R169-E171 IonicContact NE-OE1 3.36Å; R169-E171 PolarHBondContact NE-OE1 2.85Å; R169-E171 IonicContact NH2-OE1 2.97Å; R169-E171 PolarHBondContact NH2-OE1 2.89Å; R169-E171 PolarHBondContact O-N 2.77Å; R169-S172 PolarHBondContact O-N 3.17Å; R169-S172 VanDerWaalsContact O-N 3.17Å; R169-G173 PolarHBondContact O-N 2.72Å; R169-I174 WeakPolarHBondContact CB-O 3.46Å; R169-I174 PolarHBondContact N-O 2.87Å; R169-E176 HydrophobicContact CG-CG 4.02Å; R169-E176 IonicContact NH1-OE1 3.51Å; R169-E176 IonicContact NH1-OE2 3.47Å; R169-E176 PolarHBondContact NH1-OE2 2.83Å |
| 170 | K | 88.1 | Confident | 93.2 | Very high | 174 Ų | 174 | 32.2 Ų | 32.2 | 76% | 0.757 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -28.8 | -171.7 | -67.6 | -175.9 | -179.3 | 178.6 | 0 | 112.8 | L168 S172 | L168-K170 HydrophobicContact CD2-CG 4.41Å; L168-K170 HydrophobicContact CG-CG 4.38Å; L168-K170 PolarHBondContact O-N 2.82Å; K170-S172 VanDerWaalsContact C-N 3.26Å; K170-S172 PolarHBondContact O-N 3.44Å |
| 171 | E | 85.5 | Confident | 93.3 | Very high | 110 Ų | 110 | 33.3 Ų | 33.3 | 51% | 0.514 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -20.1 | 178.4 | 63.5 | -88 | -155.3 | 0 | 0 | 114.2 | S114 R169 | S114-E171 PolarHBondContact OG-O 3.34Å; R169-E171 IonicContact CZ-OE1 2.86Å; R169-E171 IonicContact NE-OE1 3.36Å; R169-E171 PolarHBondContact NE-OE1 2.85Å; R169-E171 IonicContact NH2-OE1 2.97Å; R169-E171 PolarHBondContact NH2-OE1 2.89Å; R169-E171 PolarHBondContact O-N 2.77Å |
| 172 | S | 88.5 | Confident | 93.6 | Very high | 10 Ų | 10 | 33.3 Ų | 33.3 | 7% | 0.07 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.5 | -9.4 | -177.2 | 61.7 | 0 | 0 | 0 | 0 | 114.8 | S114 R169 K170 I174 | S114-S172 VanDerWaalsContact OG-CA 3.23Å; S114-S172 WeakPolarHBondContact OG-CA 3.44Å; S114-S172 WeakPolarHBondContact OG-CB 3.16Å; R169-S172 PolarHBondContact O-N 3.17Å; R169-S172 VanDerWaalsContact O-N 3.17Å; K170-S172 VanDerWaalsContact C-N 3.26Å; K170-S172 PolarHBondContact O-N 3.44Å; S172-I174 PolarHBondContact O-N 2.95Å |
| 173 | G | 93.4 | Very high | 94 | Very high | 9 Ų | 9 | 33.2 Ų | 33.2 | 9% | 0.093 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 12.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | A144 R169 | A144-G173 CarbonylContact C-O 3.56Å; A144-G173 PolarHBondContact N-O 2.62Å; R169-G173 PolarHBondContact O-N 2.72Å |
| 174 | I | 96.7 | Very high | 94.2 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 132.1 | -176.8 | -60.6 | 166.1 | 0 | 0 | 0 | 110.3 | I105 L113 L125 W143 R169 S172 | I105-I174 HydrophobicContact CD1-CB 4.17Å; I105-I174 HydrophobicContact CD1-CD1 4.37Å; I105-I174 HydrophobicContact CD1-CG2 3.48Å; I105-I174 VanDerWaalsContact CD1-CG2 3.48Å; L113-I174 HydrophobicContact CB-CD1 4.05Å; L113-I174 HydrophobicContact CD1-CD1 3.67Å; L113-I174 HydrophobicContact CG-CD1 4.43Å; L125-I174 HydrophobicContact CD2-CD1 4.08Å; L125-I174 HydrophobicContact CD2-CG1 4.33Å; L125-I174 HydrophobicContact CD2-CG2 3.85Å; W143-I174 HydrophobicContact CB-CG1 4.39Å; R169-I174 WeakPolarHBondContact CB-O 3.46Å; R169-I174 PolarHBondContact N-O 2.87Å; S172-I174 PolarHBondContact O-N 2.95Å |
| 175 | W | 97.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 134.7 | 170.6 | -65.8 | 80.5 | 0 | 0 | 0 | 110 | S141 V142 A144 A147 V150 M166 R167 L168 | S141-W175 CarbonylContact C-O 3.38Å; S141-W175 WeakPolarHBondContact CA-O 3Å; V142-W175 HydrophobicContact CG1-CB 4.05Å; V142-W175 PolarHBondContact N-O 3.35Å; V142-W175 PolarHBondContact O-N 3.23Å; A144-W175 PolarHBondContact O-NE1 3.23Å; A147-W175 HydrophobicContact CB-CZ2 4.48Å; A147-W175 WeakPolarHBondContact O-CZ2 3.36Å; V150-W175 HydrophobicContact CB-CB 4.08Å; V150-W175 HydrophobicContact CB-CD2 3.68Å; V150-W175 HydrophobicContact CB-CE3 3.96Å; V150-W175 HydrophobicContact CB-CG 3.73Å; V150-W175 HydrophobicContact CG2-CB 4.27Å; V150-W175 HydrophobicContact CG2-CD2 3.56Å; V150-W175 HydrophobicContact CG2-CE3 4.27Å; V150-W175 HydrophobicContact CG2-CG 3.53Å; V150-W175 HydrophobicContact CG2-CZ2 4.35Å; M166-W175 HydrophobicContact CB-CB 4.07Å; M166-W175 HydrophobicContact CB-CE3 3.96Å; M166-W175 HydrophobicContact CE-CB 4.18Å; M166-W175 WeakPolarHBondContact CE-O 3.38Å; M166-W175 WeakPolarHBondContact O-CZ3 3.32Å; M166-W175 HydrophobicContact SD-CB 4.18Å; R167-W175 CarbonylContact O-C 3.25Å; R167-W175 VanDerWaalsContact O-CA 3.23Å; R167-W175 WeakPolarHBondContact O-CA 3.35Å; L168-W175 HydrophobicContact CB-CD2 4.02Å; L168-W175 HydrophobicContact CB-CE3 4Å; L168-W175 HydrophobicContact CB-CH2 3.88Å; L168-W175 HydrophobicContact CB-CZ2 3.89Å; L168-W175 HydrophobicContact CB-CZ3 3.94Å; L168-W175 HydrophobicContact CD1-CD2 4.28Å; L168-W175 HydrophobicContact CD1-CG 4.39Å; L168-W175 HydrophobicContact CD1-CZ2 4.28Å; L168-W175 HydrophobicContact CD2-CH2 4.49Å; L168-W175 HydrophobicContact CD2-CZ2 4.02Å; L168-W175 HydrophobicContact CG-CZ2 4.28Å |
| 176 | E | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 147.5 | 179.8 | 59.7 | 168.3 | -144.7 | 0 | 0 | 113.1 | P103 L104 I105 F140 R167 R169 | P103-E176 VanDerWaalsContact CA-OE1 3.27Å; P103-E176 WeakPolarHBondContact CA-OE1 3.47Å; L104-E176 HydrophobicContact CD1-CB 4.16Å; L104-E176 VanDerWaalsContact N-CD 3.34Å; L104-E176 PolarHBondContact N-OE1 3.3Å; L104-E176 PolarHBondContact N-OE2 3.47Å; L104-E176 VanDerWaalsContact N-OE2 3.15Å; I105-E176 HydrophobicContact CD1-CB 4.33Å; I105-E176 VanDerWaalsContact CG1-OE2 3.27Å; I105-E176 WeakPolarHBondContact CG1-OE2 3.41Å; I105-E176 PolarHBondContact N-OE2 2.75Å; F140-E176 CarbonylContact O-C 3.59Å; F140-E176 VanDerWaalsContact O-CA 3.24Å; F140-E176 WeakPolarHBondContact O-CA 3.41Å; R167-E176 HydrophobicContact CB-CG 4.3Å; R167-E176 IonicContact CZ-OE1 3.52Å; R167-E176 PolarHBondContact N-O 3Å; R167-E176 IonicContact NE-OE1 3.65Å; R167-E176 PolarHBondContact NE-OE1 2.96Å; R167-E176 IonicContact NH2-OE1 3.56Å; R167-E176 PolarHBondContact NH2-OE1 2.89Å; R167-E176 PolarHBondContact O-N 3.3Å; R169-E176 HydrophobicContact CG-CG 4.02Å; R169-E176 IonicContact NH1-OE1 3.51Å; R169-E176 IonicContact NH1-OE2 3.47Å; R169-E176 PolarHBondContact NH1-OE2 2.83Å |
| 177 | L | 97 | Very high | 94.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 139.5 | 171.4 | -175.5 | 62.3 | 0 | 0 | 0 | 111.7 | F22 P98 Y99 F140 H164 M166 I179 | F22-L177 HydrophobicContact CE2-CD1 3.96Å; F22-L177 HydrophobicContact CZ-CD1 3.74Å; P98-L177 HydrophobicContact CB-CD1 4.16Å; Y99-L177 HydrophobicContact CE1-CD1 4.45Å; F140-L177 PolarHBondContact N-O 3.29Å; F140-L177 PolarHBondContact O-N 2.96Å; H164-L177 HydrophobicContact CB-CD2 3.71Å; H164-L177 WeakPolarHBondContact O-CD2 3.45Å; M166-L177 HydrophobicContact CB-CB 4.22Å; M166-L177 HydrophobicContact CE-CB 4.3Å; M166-L177 HydrophobicContact CG-CB 3.83Å; M166-L177 HydrophobicContact CG-CD2 4.33Å; L177-I179 HydrophobicContact CD2-CD1 4.06Å; L177-I179 HydrophobicContact CD2-CG1 3.88Å; L177-I179 HydrophobicContact CG-CG1 3.98Å |
| 178 | F | 97.5 | Very high | 94.4 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 124.7 | 168.4 | 179.3 | -103.5 | 0 | 0 | 0 | 108.7 | F101 L104 D130 M132 V135 T138 R139 P180 | F101-F178 HydrophobicContact CD1-CD1 4.07Å; F101-F178 HydrophobicContact CD1-CE1 4.47Å; F101-F178 AromaticContact CD2-CD1 3.68Å; F101-F178 HydrophobicContact CD2-CD1 3.68Å; F101-F178 HydrophobicContact CD2-CE1 4.42Å; F101-F178 AromaticContact CE1-CD1 3.98Å; F101-F178 HydrophobicContact CE1-CD1 3.98Å; F101-F178 AromaticContact CE1-CE1 3.95Å; F101-F178 HydrophobicContact CE1-CE1 3.95Å; F101-F178 AromaticContact CE2-CD1 3.61Å; F101-F178 HydrophobicContact CE2-CD1 3.61Å; F101-F178 AromaticContact CE2-CE1 3.93Å; F101-F178 HydrophobicContact CE2-CE1 3.93Å; F101-F178 AromaticContact CG-CD1 3.91Å; F101-F178 HydrophobicContact CG-CD1 3.91Å; F101-F178 AromaticContact CZ-CD1 3.75Å; F101-F178 HydrophobicContact CZ-CD1 3.75Å; F101-F178 AromaticContact CZ-CE1 3.65Å; F101-F178 HydrophobicContact CZ-CE1 3.65Å; L104-F178 HydrophobicContact CD1-CB 3.9Å; L104-F178 VanDerWaalsContact CD1-N 3.31Å; L104-F178 HydrophobicContact CD2-CB 4.02Å; D130-F178 HydrophobicContact CB-CE2 4.18Å; M132-F178 HydrophobicContact CB-CE1 4.22Å; M132-F178 HydrophobicContact CB-CE2 4.49Å; M132-F178 HydrophobicContact CB-CZ 4.2Å; M132-F178 HydrophobicContact CG-CD2 4.06Å; M132-F178 HydrophobicContact CG-CE1 4.48Å; M132-F178 HydrophobicContact CG-CE2 3.98Å; M132-F178 HydrophobicContact CG-CG 4.35Å; M132-F178 HydrophobicContact CG-CZ 4.18Å; M132-F178 HydrophobicContact SD-CB 3.89Å; M132-F178 HydrophobicContact SD-CD1 4.14Å; M132-F178 HydrophobicContact SD-CD2 3.68Å; M132-F178 HydrophobicContact SD-CE2 4.22Å; M132-F178 HydrophobicContact SD-CG 3.63Å; V135-F178 HydrophobicContact CG1-CE1 4.37Å; V135-F178 WeakPolarHBondContact O-CZ 3.16Å; T138-F178 WeakPolarHBondContact O-CA 3.21Å; R139-F178 HydrophobicContact CB-CD2 4.39Å; F178-P180 HydrophobicContact CD1-CG 4.16Å; F178-P180 HydrophobicContact CE1-CG 4.02Å; F178-P180 WeakPolarHBondContact O-CD 3.29Å |
| 179 | I | 96.9 | Very high | 94.6 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 106.4 | 179.5 | -56.2 | -176 | 0 | 0 | 0 | 108.8 | G137 T138 F140 V152 F156 H164 L177 G181 A182 | G137-I179 VanDerWaalsContact CA-O 3.29Å; G137-I179 WeakPolarHBondContact CA-O 3.31Å; T138-I179 PolarHBondContact N-O 3.03Å; T138-I179 VanDerWaalsContact N-O 3.15Å; T138-I179 PolarHBondContact O-N 3.38Å; F140-I179 HydrophobicContact CD2-CD1 3.97Å; F140-I179 HydrophobicContact CD2-CG1 4.05Å; F140-I179 HydrophobicContact CE2-CB 4.08Å; F140-I179 HydrophobicContact CE2-CD1 3.79Å; F140-I179 HydrophobicContact CE2-CG1 3.98Å; V152-I179 HydrophobicContact CB-CD1 3.73Å; V152-I179 HydrophobicContact CG1-CD1 4.14Å; V152-I179 HydrophobicContact CG2-CD1 4.02Å; F156-I179 HydrophobicContact CD2-CD1 4.4Å; F156-I179 HydrophobicContact CD2-CG2 3.98Å; F156-I179 HydrophobicContact CE2-CD1 3.47Å; F156-I179 VanDerWaalsContact CE2-CD1 3.47Å; F156-I179 HydrophobicContact CE2-CG2 4.06Å; F156-I179 HydrophobicContact CZ-CD1 3.8Å; H164-I179 HydrophobicContact CB-CD1 3.89Å; L177-I179 HydrophobicContact CD2-CD1 4.06Å; L177-I179 HydrophobicContact CD2-CG1 3.88Å; L177-I179 HydrophobicContact CG-CG1 3.98Å; I179-G181 PolarHBondContact O-N 3.07Å; I179-A182 HydrophobicContact CB-CB 4.03Å; I179-A182 HydrophobicContact CG2-CB 3.96Å; I179-A182 WeakPolarHBondContact O-CB 3.28Å; I179-A182 PolarHBondContact O-N 3.38Å |
| 180 | P | 95.4 | Very high | 94.9 | Very high | 28 Ų | 28 | 33.4 Ų | 33.4 | 18% | 0.182 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 135.4 | 173.5 | -26 | 36.4 | 0 | 0 | 0 | 112 | D96 F101 V135 F178 A182 | D96-P180 HydrophobicContact CB-CB 3.72Å; D96-P180 HydrophobicContact CB-CG 3.68Å; F101-P180 HydrophobicContact CE2-CG 3.67Å; F101-P180 HydrophobicContact CZ-CG 4.23Å; V135-P180 HydrophobicContact CG1-CB 3.83Å; V135-P180 HydrophobicContact CG1-CG 4.34Å; F178-P180 HydrophobicContact CD1-CG 4.16Å; F178-P180 HydrophobicContact CE1-CG 4.02Å; F178-P180 WeakPolarHBondContact O-CD 3.29Å; P180-A182 PolarHBondContact O-N 3.35Å |
| 181 | G | 91.7 | Very high | 95.3 | Very high | 50 Ų | 50 | 26.6 Ų | 26.6 | 52% | 0.515 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | -7.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116 | T136 I179 H183 | T136-G181 PolarHBondContact O-N 2.82Å; I179-G181 PolarHBondContact O-N 3.07Å; G181-H183 PolarHBondContact O-N 3.04Å; G181-H183 PolarHBondContact O-ND1 2.91Å |
| 182 | A | 95.9 | Very high | 95.8 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 2% | 0.017 | 14% | 0.135 | C | C | . | . | trans | -66.3 | 126.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109 | G137 T138 F140 F156 I179 P180 I220 | G137-A182 CarbonylContact C-O 3.55Å; G137-A182 VanDerWaalsContact C-O 3.23Å; G137-A182 WeakPolarHBondContact CA-O 3.21Å; T138-A182 PolarHBondContact N-O 3.36Å; T138-A182 PolarHBondContact OG1-O 3.16Å; F140-A182 HydrophobicContact CE2-CB 4.29Å; F140-A182 HydrophobicContact CZ-CB 4.46Å; F156-A182 HydrophobicContact CD1-CB 4.11Å; F156-A182 HydrophobicContact CE1-CB 4.38Å; F156-A182 HydrophobicContact CG-CB 4.33Å; I179-A182 HydrophobicContact CB-CB 4.03Å; I179-A182 HydrophobicContact CG2-CB 3.96Å; I179-A182 WeakPolarHBondContact O-CB 3.28Å; I179-A182 PolarHBondContact O-N 3.38Å; P180-A182 PolarHBondContact O-N 3.35Å; A182-I220 HydrophobicContact CB-CD1 4.15Å | ||
| 183 | H | 94.3 | Very high | 96.2 | Very high | 106 Ų | 106 | 21.6 Ų | 21.6 | 49% | 0.491 | 14% | 0.135 | S | C | . | . | trans | -136.5 | 161.8 | -171.6 | 58 | -87.5 | 0 | 0 | 0 | 112.4 | G181 Q186 | G181-H183 PolarHBondContact O-N 3.04Å; G181-H183 PolarHBondContact O-ND1 2.91Å; H183-Q186 PolarHBondContact CE1-NE2 2.93Å; H183-Q186 VanDerWaalsContact CE1-NE2 3.26Å; H183-Q186 PolarHBondContact ND1-OE1 3.27Å; H183-Q186 WeakPolarHBondContact O-CG 3.25Å; H183-Q186 PolarHBondContact O-N 3.03Å | ||
| 184 | N | 93.7 | Very high | 96.3 | Very high | 84 Ų | 84 | 21.2 Ų | 21.2 | 45% | 0.449 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | 139.9 | 180 | -68 | -9.8 | 0 | 0 | 0 | 112 | I220 | N184-I220 CarbonylContact C-O 3.23Å; N184-I220 WeakPolarHBondContact CA-O 3.12Å |
| 185 | G | 93.2 | Very high | 96.3 | Very high | 45 Ų | 45 | 22.1 Ų | 22.1 | 46% | 0.464 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.5 | -12 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | I220 | G185-I220 PolarHBondContact N-O 2.8Š|
| 186 | Q | 96.2 | Very high | 96.2 | Very high | 25 Ų | 25 | 27.1 Ų | 27.1 | 12% | 0.117 | 17% | 0.166 | C | C | . | . | trans | -81.3 | 145.7 | 176.4 | -63.2 | -175.4 | -56.3 | 0 | 0 | 112.1 | Q155 H183 I220 | Q155-Q186 VanDerWaalsContact OE1-CA 3.29Å; H183-Q186 PolarHBondContact CE1-NE2 2.93Å; H183-Q186 VanDerWaalsContact CE1-NE2 3.26Å; H183-Q186 PolarHBondContact ND1-OE1 3.27Å; H183-Q186 WeakPolarHBondContact O-CG 3.25Å; H183-Q186 PolarHBondContact O-N 3.03Å; Q186-I220 HydrophobicContact CB-CD1 4.13Å; Q186-I220 WeakPolarHBondContact O-CG1 3.48Å; Q186-I220 PolarHBondContact O-N 3.16Å | ||
| 187 | L | 97.9 | Very high | 96 | Very high | 26 Ų | 26 | 28.9 Ų | 28.9 | 14% | 0.136 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 142.1 | 177.1 | -60.1 | 174.2 | 0 | 0 | 0 | 111.8 | G154 Q155 W159 Q211 A217 S218 L219 | G154-L187 WeakPolarHBondContact CA-O 3.33Å; Q155-L187 HydrophobicContact CG-CB 4.23Å; Q155-L187 PolarHBondContact N-O 2.91Å; Q155-L187 VanDerWaalsContact N-O 3.11Å; Q155-L187 VanDerWaalsContact OE1-N 3.13Å; W159-L187 HydrophobicContact CH2-CB 4.22Å; W159-L187 HydrophobicContact CZ2-CB 4.04Å; L187-Q211 HydrophobicContact CD1-CG 4.07Å; L187-Q211 HydrophobicContact CD2-CG 3.46Å; L187-Q211 VanDerWaalsContact CD2-CG 3.46Å; L187-Q211 HydrophobicContact CG-CG 4.39Å; L187-A217 HydrophobicContact CB-CB 4.11Å; L187-A217 HydrophobicContact CD2-CB 4.39Å; L187-S218 CarbonylContact C-O 3.58Å; L187-S218 WeakPolarHBondContact CA-O 3.43Å; L187-L219 HydrophobicContact CD2-CB 4.2Å; L187-L219 HydrophobicContact CD2-CD1 4.22Å |
| 188 | Y | 98.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 164.5 | 177.2 | 79 | -75.5 | 0 | 0 | 0 | 113.5 | A127 F140 V152 V153 Y190 D204 S218 I220 | A127-Y188 HydrophobicContact CB-CE1 3.83Å; A127-Y188 HydrophobicContact CB-CE2 4.21Å; A127-Y188 VanDerWaalsContact CB-OH 3.27Å; A127-Y188 WeakPolarHBondContact CB-OH 3.43Å; F140-Y188 AromaticContact CD1-CD2 3.86Å; F140-Y188 HydrophobicContact CD1-CD2 3.86Å; F140-Y188 AromaticContact CD1-CE2 3.79Å; F140-Y188 HydrophobicContact CD1-CE2 3.79Å; F140-Y188 HydrophobicContact CE1-CD1 4.18Å; F140-Y188 AromaticContact CE1-CD2 3.55Å; F140-Y188 HydrophobicContact CE1-CD2 3.55Å; F140-Y188 HydrophobicContact CE1-CE1 4.36Å; F140-Y188 AromaticContact CE1-CE2 3.78Å; F140-Y188 HydrophobicContact CE1-CE2 3.78Å; F140-Y188 AromaticContact CE1-CG 3.77Å; F140-Y188 HydrophobicContact CE1-CG 3.77Å; V152-Y188 HydrophobicContact CG1-CD2 4.13Å; V153-Y188 CarbonylContact O-C 3.56Å; V153-Y188 WeakPolarHBondContact O-CA 3.45Å; V153-Y188 WeakPolarHBondContact O-CB 3.44Å; Y188-Y190 HydrophobicContact CE2-CE2 4.36Å; Y188-D204 HydrophobicContact CE2-CB 3.81Å; Y188-D204 WeakPolarHBondContact CE2-OD2 3.13Å; Y188-D204 VanDerWaalsContact OH-CB 3.31Å; Y188-D204 WeakPolarHBondContact OH-CB 3.45Å; Y188-D204 VanDerWaalsContact OH-CG 3.24Å; Y188-D204 PolarHBondContact OH-OD2 2.86Å; Y188-S218 WeakPolarHBondContact CD1-O 3.34Å; Y188-S218 VanDerWaalsContact CE1-CB 3.43Å; Y188-S218 PolarHBondContact N-O 3.26Å; Y188-S218 PolarHBondContact O-N 3.34Å; Y188-I220 HydrophobicContact CD1-CG1 3.57Å; Y188-I220 HydrophobicContact CE1-CG1 3.96Å; Y188-I220 HydrophobicContact CG-CG1 4.33Å |
| 189 | K | 98.7 | Very high | 95.8 | Very high | 22 Ų | 22 | 38 Ų | 38 | 10% | 0.096 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 169.8 | 169.3 | -72.2 | -170.7 | 178.6 | -176.7 | 0 | 110 | V153 W159 L201 K202 T216 A217 | V153-K189 HydrophobicContact CG2-CB 4.09Å; V153-K189 WeakPolarHBondContact CG2-O 3.45Å; V153-K189 PolarHBondContact N-O 3.25Å; V153-K189 PolarHBondContact O-N 2.75Å; W159-K189 HydrophobicContact CH2-CG 4.46Å; W159-K189 HydrophobicContact CZ3-CB 4.02Å; W159-K189 HydrophobicContact CZ3-CD 4.33Å; W159-K189 HydrophobicContact CZ3-CG 3.96Å; K189-L201 HydrophobicContact CB-CD1 3.98Å; K189-L201 HydrophobicContact CB-CG 4.15Å; K189-L201 HydrophobicContact CD-CD1 4.27Å; K189-L201 HydrophobicContact CD-CD2 3.6Å; K189-L201 HydrophobicContact CD-CG 3.6Å; K189-K202 VanDerWaalsContact CB-O 3.32Å; K189-K202 WeakPolarHBondContact CB-O 3.32Å; K189-T216 VanDerWaalsContact CE-O 3.26Å; K189-T216 WeakPolarHBondContact CE-O 3.23Å; K189-T216 PolarHBondContact NZ-OG1 2.8Å; K189-A217 VanDerWaalsContact CE-CA 3.47Å; K189-A217 HydrophobicContact CG-CB 4.15Å |
| 190 | Y | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 119.6 | 166.5 | -61.6 | -61.9 | 0 | 0 | 0 | 110.2 | F140 V142 V150 S151 V152 M166 Y188 K202 D204 | F140-Y190 HydrophobicContact CB-CE1 4.31Å; V142-Y190 HydrophobicContact CB-CD1 4.43Å; V142-Y190 HydrophobicContact CB-CD2 3.96Å; V142-Y190 HydrophobicContact CB-CE1 4.1Å; V142-Y190 HydrophobicContact CB-CE2 3.55Å; V142-Y190 HydrophobicContact CB-CG 4.39Å; V142-Y190 HydrophobicContact CG1-CD1 3.87Å; V142-Y190 HydrophobicContact CG1-CD2 4.1Å; V142-Y190 HydrophobicContact CG1-CE1 3.84Å; V142-Y190 HydrophobicContact CG1-CE2 4.05Å; V142-Y190 HydrophobicContact CG1-CG 4.02Å; V142-Y190 HydrophobicContact CG2-CD2 3.77Å; V142-Y190 HydrophobicContact CG2-CE2 3.67Å; V142-Y190 HydrophobicContact CG2-CG 4.45Å; V150-Y190 HydrophobicContact CG1-CD1 4.1Å; V150-Y190 HydrophobicContact CG1-CG 4.38Å; S151-Y190 WeakPolarHBondContact O-CA 3.47Å; V152-Y190 HydrophobicContact CG2-CD1 4.45Å; V152-Y190 HydrophobicContact CG2-CE1 4.21Å; M166-Y190 HydrophobicContact CE-CE1 4.12Å; M166-Y190 HydrophobicContact SD-CD1 3.97Å; M166-Y190 HydrophobicContact SD-CE1 3.98Å; Y188-Y190 HydrophobicContact CE2-CE2 4.36Å; Y190-K202 PolarHBondContact N-O 2.6Å; Y190-K202 PolarHBondContact O-N 3.01Å; Y190-D204 HydrophobicContact CD2-CB 4.29Å; Y190-D204 HydrophobicContact CE2-CB 3.64Å; Y190-D204 WeakPolarHBondContact CE2-OD2 3.49Å; Y190-D204 PolarHBondContact OH-OD2 3.24Å |
| 191 | E | 97.5 | Very high | 95.8 | Very high | 31 Ų | 31 | 42.2 Ų | 42.2 | 15% | 0.145 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 121.4 | 168.3 | -172.6 | -156.9 | 89.3 | 0 | 0 | 108.3 | R149 S151 V153 G161 L199 R200 L201 | R149-E191 IonicContact CZ-OE1 2.7Å; R149-E191 PolarHBondContact NH1-O 2.79Å; R149-E191 IonicContact NH1-OE1 3.39Å; R149-E191 IonicContact NH2-OE1 3.39Å; R149-E191 PolarHBondContact NH2-OE1 2.78Å; S151-E191 PolarHBondContact N-O 2.63Å; S151-E191 PolarHBondContact O-N 3.08Å; V153-E191 HydrophobicContact CB-CB 4.48Å; V153-E191 HydrophobicContact CG1-CB 3.72Å; V153-E191 HydrophobicContact CG2-CB 3.9Å; G161-E191 WeakPolarHBondContact CA-OE1 3.32Å; E191-L199 HydrophobicContact CG-CD1 3.73Å; E191-L199 HydrophobicContact CG-CG 4.24Å; E191-R200 WeakPolarHBondContact CA-O 3.29Å; E191-L201 HydrophobicContact CB-CD1 3.97Å; E191-L201 HydrophobicContact CG-CD1 4.4Å |
| 192 | M | 96.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 149.6 | -176.1 | 64.2 | -170.7 | 72.7 | 0 | 0 | 112.7 | R149 V150 L199 R200 K202 F351 | R149-M192 CarbonylContact O-C 3.14Å; R149-M192 WeakPolarHBondContact O-CA 3.27Å; R149-M192 VanDerWaalsContact O-CB 3.28Å; R149-M192 WeakPolarHBondContact O-CB 3.27Å; V150-M192 HydrophobicContact CB-CB 4.48Å; V150-M192 HydrophobicContact CG2-CB 3.99Å; M192-L199 CarbonylContact O-C 3.57Å; M192-L199 WeakPolarHBondContact O-CA 3.34Å; M192-R200 HydrophobicContact CG-CB 3.92Å; M192-R200 PolarHBondContact N-O 3.02Å; M192-R200 PolarHBondContact O-N 2.99Å; M192-K202 HydrophobicContact CE-CB 3.8Å; M192-K202 HydrophobicContact CE-CG 3.57Å; M192-K202 HydrophobicContact SD-CG 4.06Å; M192-F351 HydrophobicContact CE-CE1 3.97Å; M192-F351 HydrophobicContact CE-CZ 4.11Å |
| 193 | I | 96.8 | Very high | 96.2 | Very high | 15 Ų | 15 | 40.5 Ų | 40.5 | 8% | 0.077 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 111.9 | 162.2 | -62.1 | 173.6 | 0 | 0 | 0 | 105.7 | G16 H17 R148 R149 N198 L199 | G16-I193 WeakPolarHBondContact O-CD1 3.41Å; H17-I193 HydrophobicContact CB-CD1 4.35Å; H17-I193 WeakPolarHBondContact CD2-CD1 3.47Å; R148-I193 HydrophobicContact CB-CB 4.35Å; R148-I193 HydrophobicContact CB-CG2 4.05Å; R148-I193 PolarHBondContact N-O 3.49Å; R149-I193 HydrophobicContact CB-CB 4.38Å; R149-I193 HydrophobicContact CB-CD1 4.46Å; R149-I193 PolarHBondContact N-O 2.99Å; R149-I193 PolarHBondContact O-N 3.48Å; I193-N198 WeakPolarHBondContact CA-O 3.41Å; I193-L199 HydrophobicContact CG1-CD1 4.19Å |
| 194 | D | 95.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -70.1 | 175 | -175.5 | 78 | 9.6 | 0 | 0 | 0 | 112.1 | R148 N196 G197 N198 R200 D352 | R148-D194 WeakPolarHBondContact CG-O 3.23Å; D194-N196 PolarHBondContact O-N 3.28Å; D194-N196 VanDerWaalsContact O-N 3.08Å; D194-N196 WeakPolarHBondContact OD1-CA 3.07Å; D194-N196 WeakPolarHBondContact OD1-CB 3.36Å; D194-N196 PolarHBondContact OD1-N 3.17Å; D194-G197 PolarHBondContact O-N 3.06Å; D194-G197 PolarHBondContact OD1-N 3.18Å; D194-N198 PolarHBondContact N-O 2.85Å; D194-N198 PolarHBondContact OD1-N 2.77Å; D194-N198 PolarHBondContact OD1-ND2 2.91Å; D194-N198 WeakPolarHBondContact OD2-CB 3.49Å; D194-N198 PolarHBondContact OD2-ND2 2.7Å; D194-R200 HydrophobicContact CB-CG 4.02Å; D194-R200 IonicContact OD2-NE 3.76Å; D194-R200 PolarHBondContact OD2-NE 2.8Å; D194-R200 VanDerWaalsContact OD2-NE 3.16Å; D194-D352 WeakPolarHBondContact CA-O 3.37Å; D194-D352 WeakPolarHBondContact CB-O 3.38Å | ||
| 195 | A | 95.7 | Very high | 96.6 | Very high | 24 Ų | 24 | 31.8 Ų | 31.8 | 20% | 0.198 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -26.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N146 R148 D352 T354 | N146-A195 HydrophobicContact CB-CB 4.01Å; R148-A195 VanDerWaalsContact CZ-O 3.26Å; R148-A195 PolarHBondContact NE-O 2.71Å; R148-A195 PolarHBondContact NH2-O 3.44Å; A195-D352 PolarHBondContact N-O 3.32Å; A195-T354 HydrophobicContact CB-CG2 3.84Å |
| 196 | N | 95.7 | Very high | 96.8 | Very high | 106 Ų | 106 | 30 Ų | 30 | 57% | 0.567 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -6.3 | -178.9 | -60.6 | -46.1 | 0 | 0 | 0 | 113.1 | D194 G353 | D194-N196 PolarHBondContact O-N 3.28Å; D194-N196 VanDerWaalsContact O-N 3.08Å; D194-N196 WeakPolarHBondContact OD1-CA 3.07Å; D194-N196 WeakPolarHBondContact OD1-CB 3.36Å; D194-N196 PolarHBondContact OD1-N 3.17Å; N196-G353 PolarHBondContact ND2-O 2.74Å |
| 197 | G | 93.2 | Very high | 96.9 | Very high | 36 Ų | 36 | 29 Ų | 29 | 37% | 0.371 | 16% | 0.161 | S | C | . | . | S | Bend | trans | 90.4 | 10.3 | -180 | 0 | 0 | 0 | 0 | 0 | 114.6 | D194 | D194-G197 PolarHBondContact O-N 3.06Å; D194-G197 PolarHBondContact OD1-N 3.18Å |
| 198 | N | 95.2 | Very high | 96.8 | Very high | 81 Ų | 81 | 28 Ų | 28 | 43% | 0.433 | 16% | 0.156 | S | C | . | . | trans | -84.9 | 145.8 | 176 | -48.6 | -61.9 | 0 | 0 | 0 | 110.8 | I193 D194 | I193-N198 WeakPolarHBondContact CA-O 3.41Å; D194-N198 PolarHBondContact N-O 2.85Å; D194-N198 PolarHBondContact OD1-N 2.77Å; D194-N198 PolarHBondContact OD1-ND2 2.91Å; D194-N198 WeakPolarHBondContact OD2-CB 3.49Å; D194-N198 PolarHBondContact OD2-ND2 2.7Å | ||
| 199 | L | 95 | Very high | 96.7 | Very high | 114 Ų | 114 | 28.6 Ų | 28.6 | 60% | 0.597 | 16% | 0.159 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 121.5 | 171.8 | -168.3 | 71.1 | 0 | 0 | 0 | 109.5 | E191 M192 I193 | E191-L199 HydrophobicContact CG-CD1 3.73Å; E191-L199 HydrophobicContact CG-CG 4.24Å; M192-L199 CarbonylContact O-C 3.57Å; M192-L199 WeakPolarHBondContact O-CA 3.34Å; I193-L199 HydrophobicContact CG1-CD1 4.19Å |
| 200 | R | 95.4 | Very high | 96.5 | Very high | 49 Ų | 49 | 28.3 Ų | 28.3 | 19% | 0.185 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 148.7 | -179.8 | -57.2 | -62.8 | -160.4 | 148.1 | 15.5 | 110.5 | E191 M192 D194 D345 E350 | E191-R200 WeakPolarHBondContact CA-O 3.29Å; M192-R200 HydrophobicContact CG-CB 3.92Å; M192-R200 PolarHBondContact N-O 3.02Å; M192-R200 PolarHBondContact O-N 2.99Å; D194-R200 HydrophobicContact CB-CG 4.02Å; D194-R200 IonicContact OD2-NE 3.76Å; D194-R200 PolarHBondContact OD2-NE 2.8Å; D194-R200 VanDerWaalsContact OD2-NE 3.16Å; R200-D345 IonicContact CZ-OD1 3.9Å; R200-D345 IonicContact NH1-OD1 3.9Å; R200-D345 PolarHBondContact NH1-OD1 3.37Å; R200-D345 IonicContact NH1-OD2 2.72Å; R200-D345 PolarHBondContact NH1-OD2 3.22Å; R200-E350 IonicContact NH2-OE2 3.65Å; R200-E350 PolarHBondContact NH2-OE2 3.36Å |
| 201 | L | 96.9 | Very high | 96.3 | Very high | 69 Ų | 69 | 30.8 Ų | 30.8 | 36% | 0.361 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 107.6 | 175.5 | -167.3 | 75.1 | 0 | 0 | 0 | 109.7 | V153 K189 E191 | V153-L201 HydrophobicContact CG2-CD1 3.51Å; K189-L201 HydrophobicContact CB-CD1 3.98Å; K189-L201 HydrophobicContact CB-CG 4.15Å; K189-L201 HydrophobicContact CD-CD1 4.27Å; K189-L201 HydrophobicContact CD-CD2 3.6Å; K189-L201 HydrophobicContact CD-CG 3.6Å; E191-L201 HydrophobicContact CB-CD1 3.97Å; E191-L201 HydrophobicContact CG-CD1 4.4Å |
| 202 | K | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 140.5 | -171.8 | -62.7 | -62.4 | -161.7 | 162.4 | 0 | 111.9 | K189 Y190 M192 D345 A347 A349 F351 | K189-K202 VanDerWaalsContact CB-O 3.32Å; K189-K202 WeakPolarHBondContact CB-O 3.32Å; Y190-K202 PolarHBondContact N-O 2.6Å; Y190-K202 PolarHBondContact O-N 3.01Å; M192-K202 HydrophobicContact CE-CB 3.8Å; M192-K202 HydrophobicContact CE-CG 3.57Å; M192-K202 HydrophobicContact SD-CG 4.06Å; K202-D345 VanDerWaalsContact CD-O 3.3Å; K202-D345 WeakPolarHBondContact CD-O 3.4Å; K202-D345 WeakPolarHBondContact CE-O 3.28Å; K202-D345 PolarHBondContact NZ-O 2.9Å; K202-A347 WeakPolarHBondContact CD-O 3.37Å; K202-A347 PolarHBondContact NZ-O 3.16Å; K202-A349 PolarHBondContact NZ-O 2.89Å; K202-F351 HydrophobicContact CB-CD2 4.39Å; K202-F351 HydrophobicContact CB-CE2 3.75Å; K202-F351 HydrophobicContact CB-CZ 4.14Å; K202-F351 HydrophobicContact CD-CD2 4.21Å; K202-F351 HydrophobicContact CD-CE2 4.39Å; K202-F351 VanDerWaalsContact CE-O 3.29Å; K202-F351 WeakPolarHBondContact CE-O 3.46Å; K202-F351 HydrophobicContact CG-CD2 4.18Å; K202-F351 HydrophobicContact CG-CE2 4.02Å; K202-F351 HydrophobicContact CG-CZ 4.5Å |
| 203 | S | 98.2 | Very high | 96 | Very high | 15 Ų | 15 | 35.1 Ų | 35.1 | 11% | 0.105 | 19% | 0.19 | C | C | . | . | trans | -70.1 | 152.5 | 166 | -42.4 | 0 | 0 | 0 | 0 | 109 | P205 T216 F346 | S203-P205 WeakPolarHBondContact O-CD 3.5Å; S203-T216 PolarHBondContact OG-O 3.22Å; S203-F346 PolarHBondContact N-O 2.89Å; S203-F346 WeakPolarHBondContact OG-CD2 3.34Å; S203-F346 PolarHBondContact OG-O 3.17Å | ||
| 204 | D | 98.2 | Very high | 96 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | trans | -72.2 | 120.9 | 178.5 | -169.9 | -23.3 | 0 | 0 | 0 | 110.7 | G126 Y188 Y190 Y206 A207 S218 | G126-D204 VanDerWaalsContact CA-OD2 3.29Å; G126-D204 WeakPolarHBondContact CA-OD2 3.13Å; Y188-D204 HydrophobicContact CE2-CB 3.81Å; Y188-D204 WeakPolarHBondContact CE2-OD2 3.13Å; Y188-D204 VanDerWaalsContact OH-CB 3.31Å; Y188-D204 WeakPolarHBondContact OH-CB 3.45Å; Y188-D204 VanDerWaalsContact OH-CG 3.24Å; Y188-D204 PolarHBondContact OH-OD2 2.86Å; Y190-D204 HydrophobicContact CD2-CB 4.29Å; Y190-D204 HydrophobicContact CE2-CB 3.64Å; Y190-D204 WeakPolarHBondContact CE2-OD2 3.49Å; Y190-D204 PolarHBondContact OH-OD2 3.24Å; D204-Y206 PolarHBondContact O-N 2.81Å; D204-Y206 VanDerWaalsContact O-N 3.16Å; D204-Y206 WeakPolarHBondContact OD1-CA 3.35Å; D204-Y206 PolarHBondContact OD1-N 3.47Å; D204-A207 HydrophobicContact CB-CB 4.11Å; D204-A207 WeakPolarHBondContact O-CB 3.4Å; D204-A207 PolarHBondContact O-N 2.76Å; D204-A207 VanDerWaalsContact O-N 3.08Å; D204-S218 WeakPolarHBondContact CB-OG 3.35Å; D204-S218 PolarHBondContact N-OG 3.08Å | ||
| 205 | P | 98.1 | Very high | 96 | Very high | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.019 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -29.3 | 174.7 | -26.3 | 36.4 | 0 | 0 | 0 | 113.6 | S203 Y306 L348 F351 Y357 F385 | S203-P205 WeakPolarHBondContact O-CD 3.5Å; P205-Y306 WeakPolarHBondContact O-CD2 3.26Å; P205-L348 HydrophobicContact CB-CD2 3.82Å; P205-L348 HydrophobicContact CG-CD2 3.81Å; P205-F351 HydrophobicContact CG-CD2 4.37Å; P205-F351 HydrophobicContact CG-CE1 4.36Å; P205-F351 HydrophobicContact CG-CE2 3.54Å; P205-F351 HydrophobicContact CG-CZ 3.54Å; P205-Y357 HydrophobicContact CG-CE2 4.47Å; P205-F385 HydrophobicContact CB-CE2 3.98Å |
| 206 | Y | 97.7 | Very high | 96.1 | Very high | 8 Ų | 8 | 45.6 Ų | 45.6 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 22.1 | -179.3 | -72.5 | -89.6 | 0 | 0 | 0 | 112.7 | P121 L125 D204 F208 Y306 F385 | P121-Y206 HydrophobicContact CB-CE1 4.21Å; P121-Y206 HydrophobicContact CG-CE1 4.1Å; L125-Y206 HydrophobicContact CB-CD1 4.09Å; L125-Y206 HydrophobicContact CB-CD2 3.6Å; L125-Y206 HydrophobicContact CB-CE1 4.19Å; L125-Y206 HydrophobicContact CB-CE2 3.74Å; L125-Y206 HydrophobicContact CB-CG 3.78Å; L125-Y206 HydrophobicContact CD1-CD2 4.14Å; L125-Y206 HydrophobicContact CD1-CE1 4.35Å; L125-Y206 HydrophobicContact CD1-CE2 3.39Å; L125-Y206 VanDerWaalsContact CD1-CZ 3.5Å; L125-Y206 HydrophobicContact CG-CD2 4.5Å; L125-Y206 HydrophobicContact CG-CE2 4.19Å; D204-Y206 PolarHBondContact O-N 2.81Å; D204-Y206 VanDerWaalsContact O-N 3.16Å; D204-Y206 WeakPolarHBondContact OD1-CA 3.35Å; D204-Y206 PolarHBondContact OD1-N 3.47Å; Y206-F208 WeakPolarHBondContact O-CE1 3.24Å; Y206-F208 PolarHBondContact O-N 3.24Å; Y206-Y306 HydrophobicContact CD1-CD1 4.5Å; Y206-Y306 HydrophobicContact CD1-CD2 4.12Å; Y206-Y306 HydrophobicContact CD1-CE1 4.17Å; Y206-Y306 AromaticContact CD1-CE2 3.77Å; Y206-Y306 HydrophobicContact CD1-CE2 3.77Å; Y206-Y306 HydrophobicContact CD1-CG 4.46Å; Y206-Y306 AromaticContact CD1-CZ 3.76Å; Y206-Y306 HydrophobicContact CE1-CE1 4.31Å; Y206-Y306 AromaticContact CE1-CE2 3.8Å; Y206-Y306 HydrophobicContact CE1-CE2 3.8Å; Y206-Y306 AromaticContact CE1-CZ 3.59Å; Y206-Y306 WeakPolarHBondContact CE1-OH 3.26Å; Y206-F385 HydrophobicContact CD2-CD2 4.47Å; Y206-F385 HydrophobicContact CE1-CD2 4.1Å; Y206-F385 AromaticContact CE2-CD2 3.75Å; Y206-F385 HydrophobicContact CE2-CD2 3.75Å; Y206-F385 HydrophobicContact CE2-CE2 4.3Å; Y206-F385 AromaticContact CZ-CD2 3.57Å; Y206-F385 WeakPolarHBondContact OH-CA 3.33Å |
| 207 | A | 97.1 | Very high | 96.1 | Very high | 4 Ų | 4 | 40.6 Ų | 40.6 | 3% | 0.033 | 22% | 0.22 | C | C | . | . | trans | -60.3 | 129.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | D204 S218 Y306 A307 | D204-A207 HydrophobicContact CB-CB 4.11Å; D204-A207 WeakPolarHBondContact O-CB 3.4Å; D204-A207 PolarHBondContact O-N 2.76Å; D204-A207 VanDerWaalsContact O-N 3.08Å; A207-S218 WeakPolarHBondContact CB-OG 3.45Å; A207-Y306 CarbonylContact O-C 3.56Å; A207-Y306 VanDerWaalsContact O-CB 3.3Å; A207-Y306 WeakPolarHBondContact O-CB 3.33Å; A207-A307 WeakPolarHBondContact O-CB 3.5Å; A207-A307 PolarHBondContact O-N 2.83Å | ||
| 208 | F | 96.6 | Very high | 96.4 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -87.6 | -13.5 | 173.2 | -49.7 | -44.4 | 0 | 0 | 0 | 113.4 | Y122 H128 Y206 L223 Y392 | Y122-F208 WeakPolarHBondContact O-CZ 3.49Å; H128-F208 AromaticContact CE1-CE2 3.67Å; H128-F208 AromaticContact CE1-CZ 3.67Å; H128-F208 AromaticContact NE2-CZ 3.89Å; Y206-F208 WeakPolarHBondContact O-CE1 3.24Å; Y206-F208 PolarHBondContact O-N 3.24Å; F208-L223 HydrophobicContact CD1-CD1 4.15Å; F208-L223 HydrophobicContact CD2-CD1 4.29Å; F208-L223 HydrophobicContact CE1-CD1 3.7Å; F208-L223 HydrophobicContact CE2-CB 4.2Å; F208-L223 HydrophobicContact CE2-CD1 3.84Å; F208-L223 HydrophobicContact CG-CD1 4.45Å; F208-L223 HydrophobicContact CZ-CD1 3.54Å; F208-Y392 AromaticContact CD1-CE2 3.94Å; F208-Y392 HydrophobicContact CD1-CE2 3.94Å; F208-Y392 AromaticContact CD1-CZ 3.97Å; F208-Y392 HydrophobicContact CE1-CE2 4.2Å |
| 209 | E | 95.9 | Very high | 96.4 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 8% | 0.075 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -151.5 | 145.6 | 173.2 | -170.1 | 162.7 | 180 | 0 | 0 | 109.6 | L219 R310 | E209-L219 HydrophobicContact CB-CB 4.21Å; E209-L219 HydrophobicContact CB-CD2 4.16Å; E209-L219 HydrophobicContact CG-CB 4.4Å; E209-L219 HydrophobicContact CG-CD2 4.34Å; E209-L219 PolarHBondContact O-N 2.83Å; E209-R310 IonicContact OE1-CZ 2.75Å; E209-R310 IonicContact OE1-NE 3.5Å; E209-R310 IonicContact OE1-NH1 2.84Å; E209-R310 PolarHBondContact OE1-NH1 3.28Å; E209-R310 IonicContact OE1-NH2 3.6Å |
| 210 | A | 93.8 | Very high | 96.5 | Very high | 15 Ų | 15 | 31.2 Ų | 31.2 | 12% | 0.124 | 16% | 0.162 | C | C | . | . | B | Isolated β-bridge | trans | -126.8 | 161.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | E291 A307 | A210-E291 HydrophobicContact CB-CB 4.34Å; A210-E291 HydrophobicContact CB-CG 3.9Å; A210-A307 HydrophobicContact CB-CB 4.47Å |
| 211 | Q | 94.7 | Very high | 96.4 | Very high | 52 Ų | 52 | 29.3 Ų | 29.3 | 24% | 0.243 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -65.6 | 157.9 | 167.7 | -71 | -170.8 | -77.6 | 0 | 0 | 111.9 | L187 R213 E215 A217 | L187-Q211 HydrophobicContact CD1-CG 4.07Å; L187-Q211 HydrophobicContact CD2-CG 3.46Å; L187-Q211 VanDerWaalsContact CD2-CG 3.46Å; L187-Q211 HydrophobicContact CG-CG 4.39Å; Q211-R213 PolarHBondContact O-N 2.88Å; Q211-E215 HydrophobicContact CB-CB 3.69Å; Q211-E215 HydrophobicContact CG-CB 4.41Å; Q211-A217 HydrophobicContact CG-CB 4.12Å; Q211-A217 PolarHBondContact N-O 3.19Å |
| 212 | M | 93.8 | Very high | 96 | Very high | 63 Ų | 63 | 27 Ų | 27 | 31% | 0.31 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -66.3 | 125.3 | 172 | -177 | 63.5 | 178.5 | 0 | 0 | 109.8 | E215 W262 R310 R311 | M212-E215 WeakPolarHBondContact O-CB 3.3Å; M212-E215 PolarHBondContact O-N 3.45Å; M212-E215 VanDerWaalsContact O-N 3.17Å; M212-W262 HydrophobicContact CE-CE3 4.35Å; M212-W262 HydrophobicContact CE-CH2 4.05Å; M212-W262 HydrophobicContact CE-CZ3 3.54Å; M212-R310 HydrophobicContact CB-CB 4.34Å; M212-R310 HydrophobicContact CB-CG 3.86Å; M212-R310 HydrophobicContact SD-CB 4.24Å; M212-R310 HydrophobicContact SD-CG 4.42Å; M212-R311 HydrophobicContact CE-CB 4.18Å; M212-R311 HydrophobicContact CE-CG 3.63Å; M212-R311 VanDerWaalsContact SD-CA 3.57Å; M212-R311 HydrophobicContact SD-CB 4.31Å; M212-R311 HydrophobicContact SD-CG 3.88Å |
| 213 | R | 94.7 | Very high | 95.7 | Very high | 60 Ų | 60 | 29.1 Ų | 29.1 | 23% | 0.226 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 146.5 | 173.7 | 63.5 | 141.5 | -177 | 90 | 17.5 | 111.6 | Q211 E215 W262 P293 D295 | Q211-R213 PolarHBondContact O-N 2.88Å; R213-E215 VanDerWaalsContact C-N 3.29Å; R213-W262 VanDerWaalsContact NH2-CZ2 3.31Å; R213-P293 WeakPolarHBondContact CD-O 3.02Å; R213-D295 VanDerWaalsContact CZ-CG 3.48Å; R213-D295 IonicContact CZ-OD1 2.68Å; R213-D295 IonicContact CZ-OD2 2.77Å; R213-D295 VanDerWaalsContact CZ-OD2 3.25Å; R213-D295 IonicContact NE-OD1 3.25Å; R213-D295 PolarHBondContact NE-OD1 2.96Å; R213-D295 IonicContact NE-OD2 3.36Å; R213-D295 IonicContact NH1-OD2 2.72Å; R213-D295 IonicContact NH2-OD1 2.7Å; R213-D295 PolarHBondContact NH2-OD1 2.88Å; R213-D295 IonicContact NH2-OD2 2.97Å; R213-D295 PolarHBondContact NH2-OD2 3.31Å |
| 214 | P | 95.1 | Very high | 95.4 | Very high | 115 Ų | 115 | 28.7 Ų | 28.7 | 75% | 0.747 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -82.3 | 4.1 | 8.2 | 36.2 | -37.6 | 0 | 0 | 0 | 114.2 | ||
| 215 | E | 96.9 | Very high | 95.2 | Very high | 115 Ų | 115 | 36 Ų | 36 | 54% | 0.537 | 19% | 0.191 | S | C | . | . | trans | -69 | 153.5 | 173.8 | -58 | -60.8 | 160.3 | 0 | 0 | 111.2 | Q211 M212 R213 | Q211-E215 HydrophobicContact CB-CB 3.69Å; Q211-E215 HydrophobicContact CG-CB 4.41Å; M212-E215 WeakPolarHBondContact O-CB 3.3Å; M212-E215 PolarHBondContact O-N 3.45Å; M212-E215 VanDerWaalsContact O-N 3.17Å; R213-E215 VanDerWaalsContact C-N 3.29Å | ||
| 216 | T | 96.8 | Very high | 95 | Very high | 29 Ų | 29 | 40.7 Ų | 40.7 | 18% | 0.178 | 21% | 0.211 | C | C | . | . | trans | -135 | 6.7 | -165.6 | 49.7 | 0 | 0 | 0 | 0 | 114.1 | K189 S203 F346 | K189-T216 VanDerWaalsContact CE-O 3.26Å; K189-T216 WeakPolarHBondContact CE-O 3.23Å; K189-T216 PolarHBondContact NZ-OG1 2.8Å; S203-T216 PolarHBondContact OG-O 3.22Å; T216-F346 HydrophobicContact CG2-CD1 3.81Å; T216-F346 HydrophobicContact CG2-CD2 3.43Å; T216-F346 VanDerWaalsContact CG2-CD2 3.43Å; T216-F346 HydrophobicContact CG2-CE1 3.77Å; T216-F346 HydrophobicContact CG2-CE2 3.41Å; T216-F346 VanDerWaalsContact CG2-CE2 3.41Å; T216-F346 HydrophobicContact CG2-CG 3.64Å; T216-F346 HydrophobicContact CG2-CZ 3.6Å | ||
| 217 | A | 97.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | trans | -72.4 | 145.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | W159 L187 K189 Q211 | W159-A217 HydrophobicContact CH2-CB 3.8Å; L187-A217 HydrophobicContact CB-CB 4.11Å; L187-A217 HydrophobicContact CD2-CB 4.39Å; K189-A217 VanDerWaalsContact CE-CA 3.47Å; K189-A217 HydrophobicContact CG-CB 4.15Å; Q211-A217 HydrophobicContact CG-CB 4.12Å; Q211-A217 PolarHBondContact N-O 3.19Å | ||
| 218 | S | 97.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.014 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 153.4 | 168.8 | -54.8 | 0 | 0 | 0 | 0 | 109.6 | L187 Y188 D204 A207 | L187-S218 CarbonylContact C-O 3.58Å; L187-S218 WeakPolarHBondContact CA-O 3.43Å; Y188-S218 WeakPolarHBondContact CD1-O 3.34Å; Y188-S218 VanDerWaalsContact CE1-CB 3.43Å; Y188-S218 PolarHBondContact N-O 3.26Å; Y188-S218 PolarHBondContact O-N 3.34Å; D204-S218 WeakPolarHBondContact CB-OG 3.35Å; D204-S218 PolarHBondContact N-OG 3.08Å; A207-S218 WeakPolarHBondContact CB-OG 3.45Å |
| 219 | L | 96.5 | Very high | 94.1 | Very high | 32 Ų | 32 | 48 Ų | 48 | 17% | 0.168 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 129.8 | 178.9 | -177.4 | 144.6 | 0 | 0 | 0 | 110.1 | L187 E209 C221 | L187-L219 HydrophobicContact CD2-CB 4.2Å; L187-L219 HydrophobicContact CD2-CD1 4.22Å; E209-L219 HydrophobicContact CB-CB 4.21Å; E209-L219 HydrophobicContact CB-CD2 4.16Å; E209-L219 HydrophobicContact CG-CB 4.4Å; E209-L219 HydrophobicContact CG-CD2 4.34Å; E209-L219 PolarHBondContact O-N 2.83Å; L219-C221 HydrophobicContact CD2-CB 3.86Å; L219-C221 PolarHBondContact O-N 3.19Å |
| 220 | I | 96.2 | Very high | 94 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -66.6 | 118.6 | 175.1 | -57.1 | 175.3 | 0 | 0 | 0 | 108.3 | T138 F140 F156 A182 N184 G185 Q186 Y188 | T138-I220 HydrophobicContact CG2-CD1 4.39Å; T138-I220 HydrophobicContact CG2-CG2 3.84Å; F140-I220 HydrophobicContact CE1-CD1 4.16Å; F140-I220 HydrophobicContact CE1-CG1 4.16Å; F140-I220 HydrophobicContact CZ-CD1 3.6Å; F140-I220 HydrophobicContact CZ-CG1 4.11Å; F156-I220 HydrophobicContact CD1-CD1 4.46Å; F156-I220 HydrophobicContact CE1-CD1 4.14Å; A182-I220 HydrophobicContact CB-CD1 4.15Å; N184-I220 CarbonylContact C-O 3.23Å; N184-I220 WeakPolarHBondContact CA-O 3.12Å; G185-I220 PolarHBondContact N-O 2.8Å; Q186-I220 HydrophobicContact CB-CD1 4.13Å; Q186-I220 WeakPolarHBondContact O-CG1 3.48Å; Q186-I220 PolarHBondContact O-N 3.16Å; Y188-I220 HydrophobicContact CD1-CG1 3.57Å; Y188-I220 HydrophobicContact CE1-CG1 3.96Å; Y188-I220 HydrophobicContact CG-CG1 4.33Å | ||
| 221 | C | 93.3 | Very high | 94 | Very high | 9 Ų | 9 | 54.9 Ų | 54.9 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | trans | -151 | 150.6 | 173 | 54.8 | 0 | 0 | 0 | 0 | 110 | L219 | L219-C221 HydrophobicContact CD2-CB 3.86Å; L219-C221 PolarHBondContact O-N 3.19Å | ||
| 222 | G | 88.6 | Confident | 93.9 | Very high | 21 Ų | 21 | 59.1 Ų | 59.1 | 22% | 0.216 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -77.9 | 142.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R315 | G222-R315 PolarHBondContact O-NH1 2.91Å; G222-R315 PolarHBondContact O-NH2 3.49Å |
| 223 | L | 92 | Very high | 93.9 | Very high | 44 Ų | 44 | 57.1 Ų | 57.1 | 23% | 0.23 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -50.4 | 136 | -179 | -170.9 | 69.7 | 0 | 0 | 0 | 113.1 | Y122 E123 F208 Y392 R396 | Y122-L223 HydrophobicContact CD2-CD1 3.83Å; Y122-L223 HydrophobicContact CD2-CD2 4.03Å; Y122-L223 HydrophobicContact CE2-CD1 4.36Å; Y122-L223 HydrophobicContact CE2-CD2 4.14Å; E123-L223 HydrophobicContact CG-CD2 3.75Å; F208-L223 HydrophobicContact CD1-CD1 4.15Å; F208-L223 HydrophobicContact CD2-CD1 4.29Å; F208-L223 HydrophobicContact CE1-CD1 3.7Å; F208-L223 HydrophobicContact CE2-CB 4.2Å; F208-L223 HydrophobicContact CE2-CD1 3.84Å; F208-L223 HydrophobicContact CG-CD1 4.45Å; F208-L223 HydrophobicContact CZ-CD1 3.54Å; L223-Y392 HydrophobicContact CD1-CD2 4.24Å; L223-Y392 HydrophobicContact CD1-CE2 3.76Å; L223-R396 VanDerWaalsContact CD2-NH2 3.33Å |
| 224 | P | 92.4 | Very high | 93.9 | Very high | 5 Ų | 5 | 56.6 Ų | 56.6 | 3% | 0.032 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 144.5 | 176.3 | -14.4 | 27.5 | 0 | 0 | 0 | 111.4 | R315 R396 F397 | P224-R315 VanDerWaalsContact CD-NH1 3.33Å; P224-R396 HydrophobicContact CB-CB 4.2Å; P224-R396 HydrophobicContact CG-CB 4.32Å; P224-R396 WeakPolarHBondContact O-CD 3.33Å; P224-R396 PolarHBondContact O-NE 3.07Å; P224-F397 HydrophobicContact CG-CE2 4.44Å; P224-F397 HydrophobicContact CG-CZ 4.28Å |
| 225 | E | 92.8 | Very high | 93.9 | Very high | 157 Ų | 157 | 57 Ų | 57 | 73% | 0.734 | 29% | 0.287 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 144.2 | 172.7 | -66.6 | -171.4 | 171.8 | 0 | 0 | 112.5 | R319 | E225-R319 VanDerWaalsContact N-NH1 3.18Å; E225-R319 PolarHBondContact O-NH2 2.85Å |
| 226 | K | 93.8 | Very high | 93.8 | Very high | 102 Ų | 102 | 52.7 Ų | 52.7 | 44% | 0.443 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 133.6 | 177.6 | -172.2 | 171.4 | -173.9 | 166.7 | 0 | 111.3 | E395 | K226-E395 CarbonylContact C-O 3.35Å; K226-E395 VanDerWaalsContact CA-O 3.29Å; K226-E395 WeakPolarHBondContact CA-O 3.04Å; K226-E395 WeakPolarHBondContact CE-OE1 3.5Å; K226-E395 HydrophobicContact CG-CB 4.23Å; K226-E395 IonicContact NZ-OE1 3.13Å; K226-E395 PolarHBondContact NZ-OE1 3.36Å; K226-E395 IonicContact NZ-OE2 2.79Å; K226-E395 PolarHBondContact NZ-OE2 2.87Å |
| 227 | V | 93.3 | Very high | 93.6 | Very high | 31 Ų | 31 | 51.5 Ų | 51.5 | 19% | 0.188 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -98.3 | 128.7 | 175.1 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | E395 | V227-E395 PolarHBondContact N-O 2.85Š|
| 228 | V | 89.9 | Confident | 93.5 | Very high | 121 Ų | 121 | 55.8 Ų | 55.8 | 73% | 0.733 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -95.6 | 126.1 | 175 | -179 | 0 | 0 | 0 | 0 | 108.9 | ||
| 229 | Q | 90.6 | Very high | 93.4 | Very high | 18 Ų | 18 | 59.9 Ų | 59.9 | 8% | 0.084 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 134 | 175.8 | -64.3 | -167.4 | -3 | 0 | 0 | 111.1 | K234 I399 | Q229-K234 HydrophobicContact CB-CG 4.13Å; Q229-K234 WeakPolarHBondContact O-CE 3.26Å; Q229-I399 PolarHBondContact NE2-O 3.39Å |
| 230 | T | 93.3 | Very high | 93.4 | Very high | 69 Ų | 69 | 60.9 Ų | 60.9 | 42% | 0.423 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 155.3 | 173 | 63.4 | 0 | 0 | 0 | 0 | 110.9 | E232 R233 K234 | T230-E232 WeakPolarHBondContact CB-OE2 3.3Å; T230-E232 PolarHBondContact O-N 3.3Å; T230-E232 PolarHBondContact OG1-OE2 3.19Å; T230-R233 PolarHBondContact O-N 3.36Å; T230-R233 WeakPolarHBondContact OG1-CG 3.48Å; T230-K234 WeakPolarHBondContact O-CG 3.48Å; T230-K234 PolarHBondContact O-N 2.88Å; T230-K234 VanDerWaalsContact O-N 3.08Å |
| 231 | E | 93.6 | Very high | 93.5 | Very high | 106 Ų | 106 | 61.4 Ų | 61.4 | 50% | 0.495 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.9 | -33.8 | 179.8 | -69.4 | -58.5 | 121.5 | 0 | 0 | 112.9 | R233 K234 K235 | E231-R233 VanDerWaalsContact C-N 3.33Å; E231-R233 PolarHBondContact O-N 2.84Å; E231-K234 PolarHBondContact O-N 2.96Å; E231-K234 WeakPolarHBondContact OE1-CE 3.36Å; E231-K234 IonicContact OE1-NZ 3.02Å; E231-K234 PolarHBondContact OE1-NZ 2.81Å; E231-K235 WeakPolarHBondContact O-CG 3.34Å; E231-K235 PolarHBondContact O-N 2.99Å; E231-K235 VanDerWaalsContact O-N 3.07Å |
| 232 | E | 93.7 | Very high | 93.7 | Very high | 141 Ų | 141 | 62.5 Ų | 62.5 | 66% | 0.659 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -61.6 | -41.1 | 174.5 | -63.9 | 75.5 | -163 | 0 | 0 | 112.1 | T230 K235 A236 | T230-E232 WeakPolarHBondContact CB-OE2 3.3Å; T230-E232 PolarHBondContact O-N 3.3Å; T230-E232 PolarHBondContact OG1-OE2 3.19Å; E232-K235 PolarHBondContact O-N 2.85Å; E232-A236 PolarHBondContact O-N 3.21Å; E232-A236 VanDerWaalsContact O-N 3.15Å |
| 233 | R | 93.9 | Very high | 94.1 | Very high | 21 Ų | 21 | 61.5 Ų | 61.5 | 8% | 0.079 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.3 | -42.8 | 179.1 | -73.2 | 174.6 | 52.5 | -162.3 | -8.9 | 111.2 | T230 E231 K235 A236 H326 G398 D400 | T230-R233 PolarHBondContact O-N 3.36Å; T230-R233 WeakPolarHBondContact OG1-CG 3.48Å; E231-R233 VanDerWaalsContact C-N 3.33Å; E231-R233 PolarHBondContact O-N 2.84Å; R233-K235 VanDerWaalsContact C-N 3.27Å; R233-K235 PolarHBondContact O-N 2.8Å; R233-A236 WeakPolarHBondContact O-CB 3.41Å; R233-A236 PolarHBondContact O-N 3.16Å; R233-H326 PolarHBondContact NH1-CE1 3.08Å; R233-H326 VanDerWaalsContact NH1-CE1 3.26Å; R233-H326 PolarHBondContact NH1-ND1 2.92Å; R233-H326 PolarHBondContact NH2-CE1 2.8Å; R233-H326 VanDerWaalsContact NH2-CE1 3.35Å; R233-H326 PolarHBondContact NH2-NE2 3.25Å; R233-G398 PolarHBondContact NH2-O 2.83Å; R233-D400 IonicContact CZ-OD1 2.62Å; R233-D400 IonicContact NE-OD1 3.92Å; R233-D400 PolarHBondContact NE-OD1 3.21Å; R233-D400 IonicContact NH2-OD1 3.92Å; R233-D400 PolarHBondContact NH2-OD1 2.99Å; R233-D400 IonicContact NH2-OD2 2.73Å |
| 234 | K | 93.2 | Very high | 94.5 | Very high | 49 Ų | 49 | 59.4 Ų | 59.4 | 21% | 0.213 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.1 | -40.7 | 174.4 | -58.7 | -176.4 | -174.9 | 166.8 | 0 | 112.4 | Q229 T230 E231 A236 S451 | Q229-K234 HydrophobicContact CB-CG 4.13Å; Q229-K234 WeakPolarHBondContact O-CE 3.26Å; T230-K234 WeakPolarHBondContact O-CG 3.48Å; T230-K234 PolarHBondContact O-N 2.88Å; T230-K234 VanDerWaalsContact O-N 3.08Å; E231-K234 PolarHBondContact O-N 2.96Å; E231-K234 WeakPolarHBondContact OE1-CE 3.36Å; E231-K234 IonicContact OE1-NZ 3.02Å; E231-K234 PolarHBondContact OE1-NZ 2.81Å; K234-A236 VanDerWaalsContact C-N 3.34Å; K234-S451 WeakPolarHBondContact CD-O 3.49Å; K234-S451 WeakPolarHBondContact CE-O 3.5Å; K234-S451 WeakPolarHBondContact CG-O 3.49Å |
| 235 | K | 94.6 | Very high | 94.8 | Very high | 124 Ų | 124 | 59.1 Ų | 59.1 | 54% | 0.539 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -70 | -29.7 | 177.3 | -74 | 178.3 | -177.9 | 179 | 0 | 113.1 | E231 E232 R233 N237 Q238 A241 | E231-K235 WeakPolarHBondContact O-CG 3.34Å; E231-K235 PolarHBondContact O-N 2.99Å; E231-K235 VanDerWaalsContact O-N 3.07Å; E232-K235 PolarHBondContact O-N 2.85Å; R233-K235 VanDerWaalsContact C-N 3.27Å; R233-K235 PolarHBondContact O-N 2.8Å; K235-N237 PolarHBondContact O-N 3.45Å; K235-Q238 WeakPolarHBondContact O-CB 3.4Å; K235-Q238 PolarHBondContact O-N 3.47Å; K235-Q238 VanDerWaalsContact O-N 3.16Å; K235-A241 WeakPolarHBondContact O-CB 3.35Å |
| 236 | A | 95.1 | Very high | 95.1 | Very high | 25 Ų | 25 | 51.7 Ų | 51.7 | 21% | 0.207 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.8 | -19.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | E232 R233 K234 A241 N331 | E232-A236 PolarHBondContact O-N 3.21Å; E232-A236 VanDerWaalsContact O-N 3.15Å; R233-A236 WeakPolarHBondContact O-CB 3.41Å; R233-A236 PolarHBondContact O-N 3.16Å; K234-A236 VanDerWaalsContact C-N 3.34Å; A236-A241 WeakPolarHBondContact O-CB 3.29Å; A236-N331 WeakPolarHBondContact CB-ND2 3.32Å |
| 237 | N | 93.8 | Very high | 95.3 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 8.5 | 176.1 | -65.7 | -29.3 | 0 | 0 | 0 | 113.7 | K235 H283 D400 G452 V454 Y479 | K235-N237 PolarHBondContact O-N 3.45Å; N237-H283 PolarHBondContact OD1-NE2 2.76Å; N237-D400 PolarHBondContact ND2-O 3.08Å; N237-D400 VanDerWaalsContact ND2-O 3.09Å; N237-G452 PolarHBondContact ND2-O 3.46Å; N237-V454 HydrophobicContact CB-CB 4.47Å; N237-V454 HydrophobicContact CB-CG1 3.78Å; N237-V454 HydrophobicContact CB-CG2 3.84Å; N237-Y479 PolarHBondContact O-OH 2.85Å |
| 238 | Q | 95 | Very high | 95.6 | Very high | 92 Ų | 92 | 45.3 Ų | 45.3 | 43% | 0.43 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -75.2 | 154.9 | -180 | -70.6 | -179 | -19.2 | 0 | 0 | 111.9 | K235 D240 A241 Y479 | K235-Q238 WeakPolarHBondContact O-CB 3.4Å; K235-Q238 PolarHBondContact O-N 3.47Å; K235-Q238 VanDerWaalsContact O-N 3.16Å; Q238-D240 WeakPolarHBondContact CB-OD1 3.26Å; Q238-D240 PolarHBondContact O-N 2.9Å; Q238-D240 VanDerWaalsContact O-N 3.16Å; Q238-A241 HydrophobicContact CB-CB 4.43Å; Q238-A241 WeakPolarHBondContact O-CB 3.34Å; Q238-A241 PolarHBondContact O-N 3.06Å; Q238-Y479 PolarHBondContact O-OH 3.48Å |
| 239 | F | 96.1 | Very high | 96 | Very high | 87 Ų | 87 | 40.4 Ų | 40.4 | 38% | 0.382 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -31.7 | 179.7 | -62.7 | -49 | 0 | 0 | 0 | 113.7 | W478 Y479 N518 K563 F621 | F239-W478 HydrophobicContact CE1-CB 4.18Å; F239-W478 AromaticContact CE1-CD1 3.86Å; F239-W478 HydrophobicContact CE1-CG 4.39Å; F239-W478 WeakPolarHBondContact CE1-O 3.41Å; F239-W478 HydrophobicContact CZ-CB 4.48Å; F239-W478 AromaticContact CZ-CD1 3.56Å; F239-W478 HydrophobicContact CZ-CG 4.27Å; F239-Y479 AromaticContact CD1-CE1 3.77Å; F239-Y479 HydrophobicContact CD1-CE1 3.77Å; F239-Y479 AromaticContact CD1-CZ 3.76Å; F239-Y479 HydrophobicContact CE1-CE1 4.16Å; F239-Y479 HydrophobicContact CE1-CE2 4.5Å; F239-Y479 PolarHBondContact N-OH 2.9Å; F239-N518 HydrophobicContact CE1-CB 4.42Å; F239-N518 VanDerWaalsContact CE1-ND2 3.32Å; F239-N518 WeakPolarHBondContact CE1-ND2 3.47Å; F239-K563 VanDerWaalsContact O-CE 3.25Å; F239-K563 WeakPolarHBondContact O-CE 3.44Å; F239-K563 PolarHBondContact O-NZ 3.07Å; F239-F621 HydrophobicContact CB-CD2 3.94Å; F239-F621 HydrophobicContact CB-CE2 3.95Å; F239-F621 HydrophobicContact CD1-CD2 4.22Å; F239-F621 AromaticContact CD1-CE2 3.89Å; F239-F621 HydrophobicContact CD1-CE2 3.89Å; F239-F621 HydrophobicContact CG-CD2 4.34Å; F239-F621 HydrophobicContact CG-CE2 4.32Å |
| 240 | D | 96.4 | Very high | 96.3 | Very high | 54 Ų | 54 | 39.8 Ų | 39.8 | 29% | 0.289 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 7.6 | 179.8 | 66.1 | -11.8 | 0 | 0 | 0 | 113.7 | Q238 H617 E618 K646 | Q238-D240 WeakPolarHBondContact CB-OD1 3.26Å; Q238-D240 PolarHBondContact O-N 2.9Å; Q238-D240 VanDerWaalsContact O-N 3.16Å; D240-H617 PolarHBondContact O-CD2 2.76Å; D240-H617 VanDerWaalsContact O-CD2 3.25Å; D240-E618 HydrophobicContact CB-CG 3.91Å; D240-E618 WeakPolarHBondContact CB-O 3.48Å; D240-K646 IonicContact OD2-NZ 2.63Å; D240-K646 PolarHBondContact OD2-NZ 3.02Å |
| 241 | A | 97.2 | Very high | 96.5 | Very high | 11 Ų | 11 | 36.5 Ų | 36.5 | 9% | 0.091 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -88.6 | 154.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | K235 A236 Q238 I243 K563 | K235-A241 WeakPolarHBondContact O-CB 3.35Å; A236-A241 WeakPolarHBondContact O-CB 3.29Å; Q238-A241 HydrophobicContact CB-CB 4.43Å; Q238-A241 WeakPolarHBondContact O-CB 3.34Å; Q238-A241 PolarHBondContact O-N 3.06Å; A241-I243 PolarHBondContact O-N 3.48Å; A241-K563 PolarHBondContact O-NZ 3.4Å |
| 242 | P | 97.9 | Very high | 96.7 | Very high | 31 Ų | 31 | 31.5 Ų | 31.5 | 20% | 0.201 | 15% | 0.153 | C | C | . | . | trans | -76.1 | 111.6 | 171.6 | 28.9 | -30.4 | 0 | 0 | 0 | 110.8 | T282 Y610 R611 H617 | P242-T282 WeakPolarHBondContact O-CG2 3.46Å; P242-T282 PolarHBondContact O-OG1 2.71Å; P242-Y610 HydrophobicContact CB-CD1 3.82Å; P242-Y610 HydrophobicContact CB-CE1 3.57Å; P242-R611 HydrophobicContact CB-CG 4.19Å; P242-R611 HydrophobicContact CG-CG 4.29Å; P242-H617 HydrophobicContact CB-CB 4.33Å | ||
| 243 | I | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -109.9 | 109.5 | 174.6 | -58.4 | 177.4 | 0 | 0 | 0 | 109.2 | A241 I245 T282 Y479 K563 K564 | A241-I243 PolarHBondContact O-N 3.48Å; I243-I245 HydrophobicContact CG2-CD1 3.88Å; I243-I245 HydrophobicContact CG2-CG1 3.75Å; I243-T282 WeakPolarHBondContact CA-OG1 3.12Å; I243-Y479 HydrophobicContact CD1-CE1 4.33Å; I243-Y479 HydrophobicContact CD1-CE2 4.05Å; I243-Y479 VanDerWaalsContact CD1-OH 3.31Å; I243-Y479 WeakPolarHBondContact CD1-OH 3.39Å; I243-K563 HydrophobicContact CB-CB 3.92Å; I243-K563 HydrophobicContact CB-CD 3.91Å; I243-K563 HydrophobicContact CB-CG 3.87Å; I243-K563 HydrophobicContact CD1-CD 4.49Å; I243-K563 HydrophobicContact CD1-CG 4.27Å; I243-K563 HydrophobicContact CG1-CD 4.34Å; I243-K563 HydrophobicContact CG1-CG 4.45Å; I243-K563 HydrophobicContact CG2-CB 4.15Å; I243-K563 HydrophobicContact CG2-CG 4.46Å; I243-K564 PolarHBondContact O-N 2.9Å | ||
| 244 | S | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 112.6 | 172.6 | -176.4 | 0 | 0 | 0 | 0 | 109.1 | F281 T282 H283 K564 N607 | S244-F281 WeakPolarHBondContact OG-CD1 3.27Å; S244-T282 PolarHBondContact N-OG1 2.86Å; S244-T282 PolarHBondContact O-N 2.97Å; S244-T282 PolarHBondContact O-OG1 3.34Å; S244-H283 PolarHBondContact O-N 3.39Å; S244-H283 VanDerWaalsContact O-N 3.11Å; S244-K564 WeakPolarHBondContact CA-O 3.16Å; S244-N607 WeakPolarHBondContact CB-OD1 3.22Å; S244-N607 PolarHBondContact OG-OD1 3.08Å |
| 245 | I | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 129.6 | -166.3 | -57.9 | 162.2 | 0 | 0 | 0 | 109.4 | I243 H283 E285 I333 M456 V520 K564 L565 L566 | I243-I245 HydrophobicContact CG2-CD1 3.88Å; I243-I245 HydrophobicContact CG2-CG1 3.75Å; I245-H283 HydrophobicContact CB-CB 4.4Å; I245-H283 HydrophobicContact CG1-CB 3.88Å; I245-E285 HydrophobicContact CG2-CB 3.33Å; I245-E285 HydrophobicContact CG2-CG 4.44Å; I245-I333 HydrophobicContact CD1-CD1 3.6Å; I245-I333 HydrophobicContact CG1-CD1 3.73Å; I245-I333 HydrophobicContact CG2-CD1 4.17Å; I245-M456 HydrophobicContact CD1-CE 4.35Å; I245-M456 HydrophobicContact CD1-SD 4.13Å; I245-V520 HydrophobicContact CD1-CG1 4.17Å; I245-K564 WeakPolarHBondContact CB-O 3.24Å; I245-K564 PolarHBondContact N-O 2.79Å; I245-L565 HydrophobicContact CB-CB 4.11Å; I245-L565 HydrophobicContact CB-CD1 4.43Å; I245-L565 HydrophobicContact CB-CG 4.22Å; I245-L565 HydrophobicContact CD1-CB 4.35Å; I245-L565 HydrophobicContact CD1-CD1 4.33Å; I245-L565 HydrophobicContact CG2-CD1 4.08Å; I245-L565 HydrophobicContact CG2-CG 4.15Å; I245-L566 PolarHBondContact O-N 3.14Å |
| 246 | Y | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 106.3 | 166 | -170.8 | -123.7 | 0 | 0 | 0 | 108.6 | V248 W253 L272 Y275 A276 F281 H283 L284 E285 M568 E571 | Y246-V248 HydrophobicContact CD1-CG2 3.35Å; Y246-V248 HydrophobicContact CE1-CG2 3.54Å; Y246-V248 HydrophobicContact CG-CG2 4.13Å; Y246-W253 AromaticContact CE1-NE1 3.76Å; Y246-W253 AromaticContact CZ-NE1 3.95Å; Y246-W253 PolarHBondContact OH-NE1 3.45Å; Y246-L272 HydrophobicContact CD1-CD1 4.2Å; Y246-L272 HydrophobicContact CE1-CD1 3.83Å; Y246-Y275 HydrophobicContact CE1-CD1 4.37Å; Y246-Y275 HydrophobicContact CE1-CE1 4.32Å; Y246-A276 HydrophobicContact CD1-CB 4.36Å; Y246-F281 HydrophobicContact CD2-CD2 4.17Å; Y246-F281 HydrophobicContact CD2-CE1 4.32Å; Y246-F281 AromaticContact CD2-CE2 3.53Å; Y246-F281 HydrophobicContact CD2-CE2 3.53Å; Y246-F281 AromaticContact CD2-CZ 3.62Å; Y246-F281 HydrophobicContact CD2-CZ 3.62Å; Y246-F281 HydrophobicContact CE2-CE2 4.2Å; Y246-F281 HydrophobicContact CE2-CZ 4.43Å; Y246-F281 HydrophobicContact CG-CD2 4.01Å; Y246-F281 AromaticContact CG-CE2 3.85Å; Y246-F281 HydrophobicContact CG-CE2 3.85Å; Y246-F281 HydrophobicContact CG-CG 4.49Å; Y246-F281 HydrophobicContact CG-CZ 4.2Å; Y246-H283 PolarHBondContact N-O 3.21Å; Y246-L284 HydrophobicContact CD1-CD2 3.97Å; Y246-E285 PolarHBondContact O-N 3.49Å; Y246-M568 HydrophobicContact CE1-CB 4.26Å; Y246-M568 HydrophobicContact CE2-CB 4.03Å; Y246-M568 WeakPolarHBondContact OH-CB 3.49Å; Y246-E571 HydrophobicContact CE2-CG 4.22Å; Y246-E571 PolarHBondContact OH-OE1 3.15Å |
| 247 | E | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 131.6 | -179.9 | -178.3 | -159.8 | -156.6 | 0 | 0 | 109.7 | E285 L287 S524 H525 L565 L566 F567 M568 | E247-E285 CarbonylContact C-O 3.58Å; E247-E285 WeakPolarHBondContact CA-O 3.48Å; E247-E285 HydrophobicContact CB-CB 4.32Å; E247-E285 HydrophobicContact CG-CB 4.5Å; E247-E285 HydrophobicContact CG-CG 4.44Å; E247-L287 HydrophobicContact CG-CD1 3.76Å; E247-S524 WeakPolarHBondContact OE2-CA 3.3Å; E247-S524 VanDerWaalsContact OE2-CB 3.32Å; E247-S524 WeakPolarHBondContact OE2-CB 3.39Å; E247-H525 IonicContact OE1-CE1 3.48Å; E247-H525 IonicContact OE1-CG 3.78Å; E247-H525 IonicContact OE1-ND1 2.82Å; E247-H525 PolarHBondContact OE1-ND1 3.31Å; E247-H525 PolarHBondContact OE2-N 3.02Å; E247-H525 IonicContact OE2-ND1 3.73Å; E247-L565 HydrophobicContact CB-CD2 4.2Å; E247-L565 HydrophobicContact CB-CG 4.28Å; E247-L566 PolarHBondContact N-O 3.47Å; E247-L566 VanDerWaalsContact N-O 3.08Å; E247-F567 HydrophobicContact CB-CD2 3.96Å; E247-F567 HydrophobicContact CG-CD2 3.74Å; E247-F567 HydrophobicContact CG-CE2 4.31Å; E247-F567 WeakPolarHBondContact O-CD2 3.19Å; E247-F567 WeakPolarHBondContact OE2-CB 3.47Å; E247-F567 WeakPolarHBondContact OE2-CD2 3.47Å; E247-M568 PolarHBondContact O-N 3.49Å |
| 248 | V | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 129.7 | -168.2 | -173.4 | 0 | 0 | 0 | 0 | 111.5 | Y246 L250 W253 L272 L284 E285 L287 M568 | Y246-V248 HydrophobicContact CD1-CG2 3.35Å; Y246-V248 HydrophobicContact CE1-CG2 3.54Å; Y246-V248 HydrophobicContact CG-CG2 4.13Å; V248-L250 HydrophobicContact CG1-CD2 4.15Å; V248-W253 HydrophobicContact CG1-CB 3.8Å; V248-W253 HydrophobicContact CG1-CG 4Å; V248-L272 HydrophobicContact CG1-CD1 4.44Å; V248-L272 HydrophobicContact CG1-CD2 3.95Å; V248-L272 HydrophobicContact CG2-CD1 4.17Å; V248-L272 HydrophobicContact CG2-CD2 4.47Å; V248-L284 HydrophobicContact CG2-CD2 4.42Å; V248-E285 PolarHBondContact N-O 2.88Å; V248-L287 PolarHBondContact O-N 2.78Å; V248-L287 VanDerWaalsContact O-N 3.09Å; V248-M568 HydrophobicContact CB-SD 4.35Å; V248-M568 HydrophobicContact CG1-SD 3.72Å |
| 249 | H | 98.6 | Very high | 96.4 | Very high | 18 Ų | 18 | 34 Ų | 34 | 8% | 0.083 | 18% | 0.177 | C | C | . | . | trans | -92.5 | 109.1 | 159.5 | 175.3 | -92.4 | 0 | 0 | 0 | 110.1 | G251 S252 W253 L287 M568 W578 | H249-G251 PolarHBondContact ND1-N 3.29Å; H249-G251 PolarHBondContact O-N 2.71Å; H249-G251 VanDerWaalsContact O-N 3.12Å; H249-S252 PolarHBondContact ND1-N 2.96Å; H249-S252 VanDerWaalsContact ND1-N 3.18Å; H249-S252 PolarHBondContact ND1-OG 3.08Å; H249-S252 PolarHBondContact O-N 3.45Å; H249-W253 PolarHBondContact O-N 3.07Å; H249-L287 HydrophobicContact CB-CB 4.33Å; H249-L287 HydrophobicContact CB-CD2 3.94Å; H249-M568 HydrophobicContact CB-CE 3.79Å; H249-W578 HydrophobicContact CB-CH2 4.35Å; H249-W578 HydrophobicContact CB-CZ2 3.69Å; H249-W578 AromaticContact CG-CZ2 3.74Å; H249-W578 AromaticContact ND1-CZ2 3.98Å | ||
| 250 | L | 98.2 | Very high | 96.2 | Very high | 5 Ų | 5 | 33.4 Ų | 33.4 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.8 | -33.4 | -173.2 | -65.2 | -173.5 | 0 | 0 | 0 | 113.2 | V248 S252 Y265 L268 L272 L286 I289 F312 F321 | V248-L250 HydrophobicContact CG1-CD2 4.15Å; L250-S252 VanDerWaalsContact C-N 3.28Å; L250-S252 PolarHBondContact O-N 3.45Å; L250-Y265 HydrophobicContact CD1-CD1 4.25Å; L250-Y265 HydrophobicContact CD1-CE1 3.92Å; L250-L268 HydrophobicContact CB-CD1 4.01Å; L250-L268 HydrophobicContact CD1-CD1 4.16Å; L250-L268 HydrophobicContact CD2-CD1 4.02Å; L250-L268 HydrophobicContact CD2-CD2 4.33Å; L250-L268 HydrophobicContact CG-CD1 4.29Å; L250-L272 HydrophobicContact CD2-CD2 3.82Å; L250-L286 HydrophobicContact CD2-CD2 3.92Å; L250-L286 HydrophobicContact CG-CD2 4.35Å; L250-I289 HydrophobicContact CD1-CG2 3.89Å; L250-F312 HydrophobicContact CB-CD2 4.22Å; L250-F312 HydrophobicContact CB-CE2 3.81Å; L250-F312 HydrophobicContact CB-CZ 4.01Å; L250-F312 HydrophobicContact CD1-CD2 4.25Å; L250-F312 HydrophobicContact CD1-CE2 4.37Å; L250-F321 HydrophobicContact CD2-CZ 4.39Å |
| 251 | G | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -75.4 | -7.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | H249 R255 | H249-G251 PolarHBondContact ND1-N 3.29Å; H249-G251 PolarHBondContact O-N 2.71Å; H249-G251 VanDerWaalsContact O-N 3.12Å; G251-R255 PolarHBondContact O-NE 3.46Å; G251-R255 PolarHBondContact O-NH2 3.19Å |
| 252 | S | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -139.2 | -2.2 | -177.7 | 56.9 | 0 | 0 | 0 | 0 | 114.9 | H249 L250 R254 M568 W578 H580 A582 S583 L584 | H249-S252 PolarHBondContact ND1-N 2.96Å; H249-S252 VanDerWaalsContact ND1-N 3.18Å; H249-S252 PolarHBondContact ND1-OG 3.08Å; H249-S252 PolarHBondContact O-N 3.45Å; L250-S252 VanDerWaalsContact C-N 3.28Å; L250-S252 PolarHBondContact O-N 3.45Å; S252-R254 VanDerWaalsContact C-N 3.34Å; S252-R254 PolarHBondContact O-N 2.92Å; S252-M568 WeakPolarHBondContact OG-CE 3.41Å; S252-W578 PolarHBondContact OG-NE1 3.01Å; S252-H580 WeakPolarHBondContact CB-O 3.35Å; S252-A582 WeakPolarHBondContact CB-O 3.27Å; S252-S583 WeakPolarHBondContact O-CA 3.44Å; S252-L584 PolarHBondContact O-N 3.1Å |
| 253 | W | 98.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -54.3 | -53 | 171 | -177.9 | 75.2 | 0 | 0 | 0 | 111.2 | Y246 V248 H249 L263 L268 Q271 L272 Y275 M568 L584 W586 | Y246-W253 AromaticContact CE1-NE1 3.76Å; Y246-W253 AromaticContact CZ-NE1 3.95Å; Y246-W253 PolarHBondContact OH-NE1 3.45Å; V248-W253 HydrophobicContact CG1-CB 3.8Å; V248-W253 HydrophobicContact CG1-CG 4Å; H249-W253 PolarHBondContact O-N 3.07Å; W253-L263 HydrophobicContact CE3-CD1 4.37Å; W253-L263 HydrophobicContact CZ3-CD1 4.3Å; W253-L268 HydrophobicContact CE3-CD2 4.19Å; W253-Q271 HydrophobicContact CH2-CB 4.1Å; W253-Q271 HydrophobicContact CZ3-CB 3.91Å; W253-L272 HydrophobicContact CD2-CB 4.37Å; W253-L272 HydrophobicContact CD2-CD1 3.95Å; W253-L272 HydrophobicContact CE3-CB 4.11Å; W253-L272 HydrophobicContact CG-CD1 4.31Å; W253-L272 HydrophobicContact CH2-CB 4.05Å; W253-L272 HydrophobicContact CH2-CD1 4.48Å; W253-L272 HydrophobicContact CZ2-CB 4.3Å; W253-L272 HydrophobicContact CZ2-CD1 3.88Å; W253-L272 HydrophobicContact CZ3-CB 3.94Å; W253-Y275 AromaticContact CZ2-CD1 3.88Å; W253-Y275 HydrophobicContact CZ2-CD1 3.88Å; W253-Y275 HydrophobicContact CZ2-CG 4.05Å; W253-M568 VanDerWaalsContact CA-SD 3.5Å; W253-M568 HydrophobicContact CB-SD 3.58Å; W253-M568 VanDerWaalsContact CB-SD 3.58Å; W253-M568 HydrophobicContact CG-SD 4.05Å; W253-L584 WeakPolarHBondContact O-CG 3.43Å; W253-W586 HydrophobicContact CD2-CZ2 4.01Å; W253-W586 AromaticContact CE2-CH2 3.83Å; W253-W586 AromaticContact CE2-CZ2 3.39Å; W253-W586 HydrophobicContact CG-CZ2 4.39Å; W253-W586 HydrophobicContact CH2-CZ2 4.33Å; W253-W586 AromaticContact CZ2-CH2 3.72Å; W253-W586 HydrophobicContact CZ2-CH2 3.72Å; W253-W586 AromaticContact CZ2-CZ2 3.58Å; W253-W586 HydrophobicContact CZ2-CZ2 3.58Å; W253-W586 AromaticContact NE1-CH2 3.78Å; W253-W586 AromaticContact NE1-CZ2 3.45Å; W253-W586 PolarHBondContact O-NE1 3.12Å |
| 254 | R | 97.1 | Very high | 95.9 | Very high | 71 Ų | 71 | 37.3 Ų | 37.3 | 27% | 0.268 | 19% | 0.192 | S | C | . | . | trans | -151.4 | 145.1 | 172 | -172.9 | 176.8 | -73.3 | 178.3 | -2.8 | 109.1 | S252 L263 | S252-R254 VanDerWaalsContact C-N 3.34Å; S252-R254 PolarHBondContact O-N 2.92Å; R254-L263 HydrophobicContact CB-CD1 3.85Å; R254-L263 HydrophobicContact CG-CD1 4.18Å; R254-L263 WeakPolarHBondContact O-CG 3.5Å | ||
| 255 | R | 95.4 | Very high | 95.9 | Very high | 18 Ų | 18 | 37.3 Ų | 37.3 | 7% | 0.068 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -125.6 | 160.5 | 175 | -66 | 177.6 | 168.8 | -130.6 | 11.6 | 109.3 | G251 T257 N260 F261 H580 S583 | G251-R255 PolarHBondContact O-NE 3.46Å; G251-R255 PolarHBondContact O-NH2 3.19Å; R255-T257 PolarHBondContact O-N 2.86Å; R255-N260 WeakPolarHBondContact CD-O 3.5Å; R255-N260 WeakPolarHBondContact CD-OD1 3.46Å; R255-N260 PolarHBondContact NH1-O 3.09Å; R255-F261 CarbonylContact C-O 3.53Å; R255-F261 VanDerWaalsContact CA-O 3.3Å; R255-F261 WeakPolarHBondContact CA-O 3.33Å; R255-F261 VanDerWaalsContact CB-O 3.24Å; R255-F261 WeakPolarHBondContact CB-O 3.23Å; R255-H580 PolarHBondContact NH2-O 3.33Å; R255-S583 VanDerWaalsContact CB-OG 3.31Å; R255-S583 WeakPolarHBondContact CB-OG 3.49Å; R255-S583 PolarHBondContact N-OG 3.36Å |
| 256 | H | 93.8 | Very high | 95.8 | Very high | 51 Ų | 51 | 42.4 Ų | 42.4 | 24% | 0.236 | 21% | 0.211 | C | C | . | . | trans | -59.3 | 125.7 | 170.9 | -73.5 | 173.8 | 0 | 0 | 0 | 110.2 | D258 N259 N260 F261 L263 E267 | H256-D258 VanDerWaalsContact C-N 3.29Å; H256-D258 WeakPolarHBondContact CB-OD1 3.42Å; H256-D258 PolarHBondContact O-N 3.35Å; H256-N259 WeakPolarHBondContact CB-OD1 3.18Å; H256-N260 VanDerWaalsContact O-CA 3.23Å; H256-N260 WeakPolarHBondContact O-CA 3.49Å; H256-N260 PolarHBondContact O-N 2.95Å; H256-F261 PolarHBondContact N-O 3.13Å; H256-L263 WeakPolarHBondContact CD2-CD2 3.4Å; H256-E267 IonicContact CD2-OE1 3.73Å; H256-E267 IonicContact CE1-OE1 2.78Å; H256-E267 IonicContact NE2-OE1 3.88Å; H256-E267 PolarHBondContact NE2-OE1 3.49Å; H256-E267 IonicContact NE2-OE2 3.57Å | ||
| 257 | T | 86.7 | Confident | 95.8 | Very high | 148 Ų | 148 | 45.2 Ų | 45.2 | 91% | 0.908 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -25 | -174.3 | 48.5 | 0 | 0 | 0 | 0 | 113.5 | R255 | R255-T257 PolarHBondContact O-N 2.86Š|
| 258 | D | 90.1 | Very high | 95.8 | Very high | 129 Ų | 129 | 45.2 Ų | 45.2 | 69% | 0.69 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -28.9 | -177.1 | 60.9 | -49.6 | 0 | 0 | 0 | 113.3 | H256 | H256-D258 VanDerWaalsContact C-N 3.29Å; H256-D258 WeakPolarHBondContact CB-OD1 3.42Å; H256-D258 PolarHBondContact O-N 3.35Å |
| 259 | N | 91.9 | Very high | 95.8 | Very high | 89 Ų | 89 | 45.4 Ų | 45.4 | 48% | 0.476 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -138.4 | -0.3 | -171.7 | 63.5 | 26.6 | 0 | 0 | 0 | 115 | H256 F261 | H256-N259 WeakPolarHBondContact CB-OD1 3.18Å; N259-F261 PolarHBondContact O-N 3.18Å; N259-F261 WeakPolarHBondContact OD1-CA 3.3Å; N259-F261 WeakPolarHBondContact OD1-CB 3.19Å; N259-F261 PolarHBondContact OD1-N 2.85Å |
| 260 | N | 92.1 | Very high | 95.8 | Very high | 76 Ų | 76 | 49.7 Ų | 49.7 | 41% | 0.406 | 25% | 0.249 | S | C | . | . | trans | 56.7 | 23.8 | -175.9 | -161.7 | 48.6 | 0 | 0 | 0 | 114.4 | R255 H256 D581 | R255-N260 WeakPolarHBondContact CD-O 3.5Å; R255-N260 WeakPolarHBondContact CD-OD1 3.46Å; R255-N260 PolarHBondContact NH1-O 3.09Å; H256-N260 VanDerWaalsContact O-CA 3.23Å; H256-N260 WeakPolarHBondContact O-CA 3.49Å; H256-N260 PolarHBondContact O-N 2.95Å; N260-D581 PolarHBondContact ND2-O 3.48Å | ||
| 261 | F | 93.2 | Very high | 95.8 | Very high | 111 Ų | 111 | 52.5 Ų | 52.5 | 49% | 0.487 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -81.9 | 157.3 | 175.9 | -149.9 | -103.4 | 0 | 0 | 0 | 111.2 | R255 H256 N259 | R255-F261 CarbonylContact C-O 3.53Å; R255-F261 VanDerWaalsContact CA-O 3.3Å; R255-F261 WeakPolarHBondContact CA-O 3.33Å; R255-F261 VanDerWaalsContact CB-O 3.24Å; R255-F261 WeakPolarHBondContact CB-O 3.23Å; H256-F261 PolarHBondContact N-O 3.13Å; N259-F261 PolarHBondContact O-N 3.18Å; N259-F261 WeakPolarHBondContact OD1-CA 3.3Å; N259-F261 WeakPolarHBondContact OD1-CB 3.19Å; N259-F261 PolarHBondContact OD1-N 2.85Å |
| 262 | W | 94.7 | Very high | 95.9 | Very high | 28 Ų | 28 | 52.5 Ų | 52.5 | 11% | 0.106 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -67.2 | 150.9 | -179 | -53.8 | -70.7 | 0 | 0 | 0 | 112.1 | M212 R213 R311 F312 | M212-W262 HydrophobicContact CE-CE3 4.35Å; M212-W262 HydrophobicContact CE-CH2 4.05Å; M212-W262 HydrophobicContact CE-CZ3 3.54Å; R213-W262 VanDerWaalsContact NH2-CZ2 3.31Å; W262-R311 HydrophobicContact CE3-CB 4.44Å; W262-F312 HydrophobicContact CB-CD1 3.78Å; W262-F312 HydrophobicContact CB-CE1 3.87Å; W262-F312 AromaticContact CD1-CE1 3.85Å; W262-F312 HydrophobicContact CD2-CE1 4.43Å; W262-F312 HydrophobicContact CG-CD1 4.14Å; W262-F312 AromaticContact CG-CE1 3.76Å; W262-F312 HydrophobicContact CG-CE1 3.76Å |
| 263 | L | 97.6 | Very high | 96 | Very high | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 141.8 | 160.5 | -63.9 | -176.6 | 0 | 0 | 0 | 109.8 | W253 R254 H256 E267 L268 | W253-L263 HydrophobicContact CE3-CD1 4.37Å; W253-L263 HydrophobicContact CZ3-CD1 4.3Å; R254-L263 HydrophobicContact CB-CD1 3.85Å; R254-L263 HydrophobicContact CG-CD1 4.18Å; R254-L263 WeakPolarHBondContact O-CG 3.5Å; H256-L263 WeakPolarHBondContact CD2-CD2 3.4Å; L263-E267 HydrophobicContact CB-CB 4.08Å; L263-E267 HydrophobicContact CD2-CB 4.14Å; L263-L268 HydrophobicContact CB-CD2 4.12Å; L263-L268 HydrophobicContact CB-CG 3.88Å; L263-L268 HydrophobicContact CD1-CD2 4.1Å |
| 264 | S | 97.8 | Very high | 96 | Very high | 35 Ų | 35 | 55.8 Ų | 55.8 | 25% | 0.245 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 162.1 | 167.9 | 62.8 | 0 | 0 | 0 | 0 | 111.7 | R266 E267 L268 F312 | S264-R266 PolarHBondContact O-N 3.1Å; S264-E267 WeakPolarHBondContact CB-OE2 3.33Å; S264-E267 PolarHBondContact N-OE2 3.07Å; S264-E267 PolarHBondContact O-N 3.25Å; S264-E267 WeakPolarHBondContact OG-CG 3.26Å; S264-E267 PolarHBondContact OG-N 3.49Å; S264-E267 PolarHBondContact OG-OE2 2.82Å; S264-L268 WeakPolarHBondContact O-CG 3.49Å; S264-L268 PolarHBondContact O-N 2.9Å; S264-F312 CarbonylContact C-O 3.57Å; S264-F312 WeakPolarHBondContact CA-O 3.15Å; S264-F312 WeakPolarHBondContact CB-O 3.26Å |
| 265 | Y | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.2 | -35.3 | 173.8 | -66.8 | -61.3 | 0 | 0 | 0 | 112 | L250 L268 A269 T309 F312 D317 F318 | L250-Y265 HydrophobicContact CD1-CD1 4.25Å; L250-Y265 HydrophobicContact CD1-CE1 3.92Å; Y265-L268 PolarHBondContact O-N 3.38Å; Y265-A269 WeakPolarHBondContact O-CB 3.45Å; Y265-A269 PolarHBondContact O-N 3.08Å; Y265-T309 PolarHBondContact OH-O 2.81Å; Y265-F312 HydrophobicContact CD1-CB 3.76Å; Y265-F312 HydrophobicContact CD1-CD2 4.36Å; Y265-F312 HydrophobicContact CD1-CG 4.49Å; Y265-F312 HydrophobicContact CD2-CB 3.78Å; Y265-F312 VanDerWaalsContact CD2-O 3.23Å; Y265-F312 WeakPolarHBondContact CD2-O 3.31Å; Y265-F312 HydrophobicContact CE1-CB 3.69Å; Y265-F312 AromaticContact CE1-CD2 3.59Å; Y265-F312 HydrophobicContact CE1-CD2 3.59Å; Y265-F312 HydrophobicContact CE1-CG 4.09Å; Y265-F312 HydrophobicContact CE2-CB 3.69Å; Y265-F312 HydrophobicContact CG-CB 3.8Å; Y265-F312 AromaticContact CZ-CD2 3.68Å; Y265-F312 PolarHBondContact N-O 3.2Å; Y265-D317 WeakPolarHBondContact CB-O 3.45Å; Y265-D317 HydrophobicContact CD2-CB 4.05Å; Y265-D317 HydrophobicContact CG-CB 4.49Å; Y265-F318 HydrophobicContact CD1-CB 4.17Å; Y265-F318 AromaticContact CD1-CD2 3.63Å; Y265-F318 HydrophobicContact CD1-CD2 3.63Å; Y265-F318 HydrophobicContact CD1-CG 4.35Å; Y265-F318 HydrophobicContact CD2-CB 3.9Å; Y265-F318 HydrophobicContact CE1-CB 4.09Å; Y265-F318 AromaticContact CE1-CD2 3.41Å; Y265-F318 HydrophobicContact CE1-CD2 3.41Å; Y265-F318 VanDerWaalsContact CE1-CD2 3.41Å; Y265-F318 HydrophobicContact CE1-CE2 4.19Å; Y265-F318 HydrophobicContact CE1-CG 4.05Å; Y265-F318 HydrophobicContact CE2-CB 3.84Å; Y265-F318 HydrophobicContact CG-CB 4.08Å; Y265-F318 HydrophobicContact CG-CD2 4.35Å |
| 266 | R | 98.4 | Very high | 96.2 | Very high | 107 Ų | 107 | 52.9 Ų | 52.9 | 40% | 0.404 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.7 | -43.9 | 176 | -65.8 | -172.3 | 179.5 | -78.2 | -11.5 | 112.3 | S264 L268 A269 D270 D317 Y320 | S264-R266 PolarHBondContact O-N 3.1Å; R266-L268 VanDerWaalsContact C-N 3.31Å; R266-L268 PolarHBondContact O-N 3.44Å; R266-A269 WeakPolarHBondContact O-CB 3.45Å; R266-A269 PolarHBondContact O-N 3.38Å; R266-A269 VanDerWaalsContact O-N 3.17Å; R266-D270 PolarHBondContact O-N 3.02Å; R266-D317 HydrophobicContact CG-CB 4.29Å; R266-D317 IonicContact CZ-OD1 2.72Å; R266-D317 IonicContact NE-OD1 3.55Å; R266-D317 PolarHBondContact NE-OD1 2.9Å; R266-D317 IonicContact NH2-OD1 3.56Å; R266-D317 PolarHBondContact NH2-OD1 3.44Å; R266-Y320 HydrophobicContact CG-CD1 4.07Å; R266-Y320 HydrophobicContact CG-CE1 4.45Å |
| 267 | E | 98.3 | Very high | 96.4 | Very high | 58 Ų | 58 | 55.8 Ų | 55.8 | 27% | 0.271 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.8 | -33.8 | 176.5 | -69.4 | 165.9 | 108.2 | 0 | 0 | 112.1 | H256 L263 S264 A269 D270 Q271 | H256-E267 IonicContact CD2-OE1 3.73Å; H256-E267 IonicContact CE1-OE1 2.78Å; H256-E267 IonicContact NE2-OE1 3.88Å; H256-E267 PolarHBondContact NE2-OE1 3.49Å; H256-E267 IonicContact NE2-OE2 3.57Å; L263-E267 HydrophobicContact CB-CB 4.08Å; L263-E267 HydrophobicContact CD2-CB 4.14Å; S264-E267 WeakPolarHBondContact CB-OE2 3.33Å; S264-E267 PolarHBondContact N-OE2 3.07Å; S264-E267 PolarHBondContact O-N 3.25Å; S264-E267 WeakPolarHBondContact OG-CG 3.26Å; S264-E267 PolarHBondContact OG-N 3.49Å; S264-E267 PolarHBondContact OG-OE2 2.82Å; E267-A269 VanDerWaalsContact C-N 3.34Å; E267-D270 PolarHBondContact O-N 3.21Å; E267-Q271 WeakPolarHBondContact O-CB 3.29Å; E267-Q271 WeakPolarHBondContact O-CG 3.46Å; E267-Q271 PolarHBondContact O-N 3.4Å |
| 268 | L | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.3 | -40 | 170.7 | -71.9 | 162.2 | 0 | 0 | 0 | 110.9 | L250 W253 L263 S264 Y265 R266 D270 Q271 L272 V273 F321 | L250-L268 HydrophobicContact CB-CD1 4.01Å; L250-L268 HydrophobicContact CD1-CD1 4.16Å; L250-L268 HydrophobicContact CD2-CD1 4.02Å; L250-L268 HydrophobicContact CD2-CD2 4.33Å; L250-L268 HydrophobicContact CG-CD1 4.29Å; W253-L268 HydrophobicContact CE3-CD2 4.19Å; L263-L268 HydrophobicContact CB-CD2 4.12Å; L263-L268 HydrophobicContact CB-CG 3.88Å; L263-L268 HydrophobicContact CD1-CD2 4.1Å; S264-L268 WeakPolarHBondContact O-CG 3.49Å; S264-L268 PolarHBondContact O-N 2.9Å; Y265-L268 PolarHBondContact O-N 3.38Å; R266-L268 VanDerWaalsContact C-N 3.31Å; R266-L268 PolarHBondContact O-N 3.44Å; L268-D270 VanDerWaalsContact C-N 3.26Å; L268-D270 PolarHBondContact O-N 3.07Å; L268-Q271 PolarHBondContact O-N 2.8Å; L268-L272 HydrophobicContact CD2-CB 4.34Å; L268-L272 HydrophobicContact CD2-CD2 4.36Å; L268-L272 WeakPolarHBondContact O-CA 3.3Å; L268-L272 VanDerWaalsContact O-CB 3.29Å; L268-L272 WeakPolarHBondContact O-CB 3.45Å; L268-L272 PolarHBondContact O-N 3.3Å; L268-V273 PolarHBondContact O-N 2.81Å; L268-F321 HydrophobicContact CB-CD2 3.86Å; L268-F321 HydrophobicContact CB-CE2 3.81Å |
| 269 | A | 98.7 | Very high | 97.4 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 4% | 0.041 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.3 | -35.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y265 R266 E267 V273 P274 Y320 F321 A324 | Y265-A269 WeakPolarHBondContact O-CB 3.45Å; Y265-A269 PolarHBondContact O-N 3.08Å; R266-A269 WeakPolarHBondContact O-CB 3.45Å; R266-A269 PolarHBondContact O-N 3.38Å; R266-A269 VanDerWaalsContact O-N 3.17Å; E267-A269 VanDerWaalsContact C-N 3.34Å; A269-V273 WeakPolarHBondContact O-CB 3.5Å; A269-P274 WeakPolarHBondContact O-CD 3.38Å; A269-Y320 HydrophobicContact CB-CD1 4Å; A269-Y320 HydrophobicContact CB-CE1 3.78Å; A269-F321 HydrophobicContact CB-CB 4.44Å; A269-F321 HydrophobicContact CB-CD2 4.07Å; A269-A324 HydrophobicContact CB-CB 3.84Å |
| 270 | D | 98.2 | Very high | 97.7 | Very high | 108 Ų | 108 | 43.4 Ų | 43.4 | 58% | 0.578 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -80.2 | -22.5 | 179.4 | -68.4 | -22 | 0 | 0 | 0 | 113.6 | R266 E267 L268 P274 | R266-D270 PolarHBondContact O-N 3.02Å; E267-D270 PolarHBondContact O-N 3.21Å; L268-D270 VanDerWaalsContact C-N 3.26Å; L268-D270 PolarHBondContact O-N 3.07Å; D270-P274 WeakPolarHBondContact O-CG 3.46Å |
| 271 | Q | 98.1 | Very high | 98 | Very high | 63 Ų | 63 | 39.8 Ų | 39.8 | 29% | 0.294 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -114.9 | -54.1 | -173.6 | -65.3 | -176.6 | 63.7 | 0 | 0 | 114 | W253 E267 L268 Y275 | W253-Q271 HydrophobicContact CH2-CB 4.1Å; W253-Q271 HydrophobicContact CZ3-CB 3.91Å; E267-Q271 WeakPolarHBondContact O-CB 3.29Å; E267-Q271 WeakPolarHBondContact O-CG 3.46Å; E267-Q271 PolarHBondContact O-N 3.4Å; L268-Q271 PolarHBondContact O-N 2.8Å; Q271-Y275 VanDerWaalsContact O-CB 3.31Å; Q271-Y275 WeakPolarHBondContact O-CB 3.18Å; Q271-Y275 PolarHBondContact O-N 3.21Å |
| 272 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70.1 | -45.6 | -175.7 | 170.4 | 61.8 | 0 | 0 | 0 | 111.3 | Y246 V248 L250 W253 L268 Y275 A276 L284 F321 | Y246-L272 HydrophobicContact CD1-CD1 4.2Å; Y246-L272 HydrophobicContact CE1-CD1 3.83Å; V248-L272 HydrophobicContact CG1-CD1 4.44Å; V248-L272 HydrophobicContact CG1-CD2 3.95Å; V248-L272 HydrophobicContact CG2-CD1 4.17Å; V248-L272 HydrophobicContact CG2-CD2 4.47Å; L250-L272 HydrophobicContact CD2-CD2 3.82Å; W253-L272 HydrophobicContact CD2-CB 4.37Å; W253-L272 HydrophobicContact CD2-CD1 3.95Å; W253-L272 HydrophobicContact CE3-CB 4.11Å; W253-L272 HydrophobicContact CG-CD1 4.31Å; W253-L272 HydrophobicContact CH2-CB 4.05Å; W253-L272 HydrophobicContact CH2-CD1 4.48Å; W253-L272 HydrophobicContact CZ2-CB 4.3Å; W253-L272 HydrophobicContact CZ2-CD1 3.88Å; W253-L272 HydrophobicContact CZ3-CB 3.94Å; L268-L272 HydrophobicContact CD2-CB 4.34Å; L268-L272 HydrophobicContact CD2-CD2 4.36Å; L268-L272 WeakPolarHBondContact O-CA 3.3Å; L268-L272 VanDerWaalsContact O-CB 3.29Å; L268-L272 WeakPolarHBondContact O-CB 3.45Å; L268-L272 PolarHBondContact O-N 3.3Å; L272-Y275 WeakPolarHBondContact O-CB 3.23Å; L272-Y275 PolarHBondContact O-N 2.98Å; L272-A276 WeakPolarHBondContact O-CB 3.47Å; L272-A276 PolarHBondContact O-N 3Å; L272-L284 HydrophobicContact CD1-CD2 4.45Å; L272-F321 HydrophobicContact CD2-CE2 4.12Å; L272-F321 HydrophobicContact CD2-CZ 3.99Å |
| 273 | V | 98.8 | Very high | 98.5 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.03 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.5 | -49.7 | -177.1 | 166.9 | 0 | 0 | 0 | 0 | 111.9 | L268 A269 Y275 A276 K277 L284 F321 A325 A328 L330 | L268-V273 PolarHBondContact O-N 2.81Å; A269-V273 WeakPolarHBondContact O-CB 3.5Å; V273-Y275 VanDerWaalsContact C-N 3.29Å; V273-Y275 PolarHBondContact O-N 2.75Å; V273-A276 PolarHBondContact O-N 3.33Å; V273-K277 WeakPolarHBondContact O-CB 3.31Å; V273-K277 PolarHBondContact O-N 2.72Å; V273-L284 HydrophobicContact CG2-CD1 4.24Å; V273-F321 HydrophobicContact CG2-CD2 4.3Å; V273-F321 HydrophobicContact CG2-CE2 3.83Å; V273-F321 HydrophobicContact CG2-CZ 4.35Å; V273-A325 HydrophobicContact CG2-CB 4.06Å; V273-A328 HydrophobicContact CG1-CB 3.37Å; V273-L330 HydrophobicContact CG1-CD1 4.24Å |
| 274 | P | 98.6 | Very high | 98.5 | Very high | 66 Ų | 66 | 33.5 Ų | 33.5 | 43% | 0.429 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.5 | -35.6 | 174.4 | -26.7 | 37.2 | 0 | 0 | 0 | 113.3 | A269 D270 W278 | A269-P274 WeakPolarHBondContact O-CD 3.38Å; D270-P274 WeakPolarHBondContact O-CG 3.46Å; P274-W278 VanDerWaalsContact O-CB 3.25Å; P274-W278 WeakPolarHBondContact O-CB 3.45Å; P274-W278 PolarHBondContact O-N 3.16Å |
| 275 | Y | 98.7 | Very high | 98.6 | Very high | 28 Ų | 28 | 31.8 Ų | 31.8 | 11% | 0.11 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.1 | -52.5 | 177.1 | 178.8 | -99.4 | 0 | 0 | 0 | 111.9 | Y246 W253 Q271 L272 V273 K277 W278 M279 E571 W586 Q600 | Y246-Y275 HydrophobicContact CE1-CD1 4.37Å; Y246-Y275 HydrophobicContact CE1-CE1 4.32Å; W253-Y275 AromaticContact CZ2-CD1 3.88Å; W253-Y275 HydrophobicContact CZ2-CD1 3.88Å; W253-Y275 HydrophobicContact CZ2-CG 4.05Å; Q271-Y275 VanDerWaalsContact O-CB 3.31Å; Q271-Y275 WeakPolarHBondContact O-CB 3.18Å; Q271-Y275 PolarHBondContact O-N 3.21Å; L272-Y275 WeakPolarHBondContact O-CB 3.23Å; L272-Y275 PolarHBondContact O-N 2.98Å; V273-Y275 VanDerWaalsContact C-N 3.29Å; V273-Y275 PolarHBondContact O-N 2.75Å; Y275-K277 VanDerWaalsContact C-N 3.32Å; Y275-K277 PolarHBondContact O-N 2.81Å; Y275-W278 HydrophobicContact CE2-CE3 4.49Å; Y275-W278 HydrophobicContact CE2-CZ3 4.42Å; Y275-W278 PolarHBondContact O-N 3.32Å; Y275-W278 VanDerWaalsContact O-N 3.12Å; Y275-M279 HydrophobicContact CD1-CG 4.25Å; Y275-M279 HydrophobicContact CE1-CG 3.88Å; Y275-M279 HydrophobicContact CE2-CG 4.25Å; Y275-M279 WeakPolarHBondContact O-CG 3.32Å; Y275-M279 PolarHBondContact O-N 3.34Å; Y275-E571 WeakPolarHBondContact CE1-OE1 3.33Å; Y275-E571 WeakPolarHBondContact OH-CG 3.42Å; Y275-E571 PolarHBondContact OH-OE1 3.4Å; Y275-W586 HydrophobicContact CE1-CH2 4.01Å; Y275-W586 HydrophobicContact CE2-CH2 4.26Å; Y275-W586 HydrophobicContact CE2-CZ3 4.02Å; Y275-W586 AromaticContact CZ-CH2 3.85Å; Y275-W586 AromaticContact CZ-CZ3 3.89Å; Y275-Q600 PolarHBondContact OH-NE2 3.26Å; Y275-Q600 VanDerWaalsContact OH-NE2 3.12Å |
| 276 | A | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.6 | -40.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y246 L272 V273 M279 G280 F281 L284 L330 | Y246-A276 HydrophobicContact CD1-CB 4.36Å; L272-A276 WeakPolarHBondContact O-CB 3.47Å; L272-A276 PolarHBondContact O-N 3Å; V273-A276 PolarHBondContact O-N 3.33Å; A276-M279 PolarHBondContact O-N 3.27Å; A276-G280 PolarHBondContact O-N 2.81Å; A276-F281 PolarHBondContact O-N 3.29Å; A276-L284 HydrophobicContact CB-CD2 3.6Å; A276-L284 HydrophobicContact CB-CG 4.39Å; A276-L330 HydrophobicContact CB-CD1 3.79Å |
| 277 | K | 98.4 | Very high | 98.6 | Very high | 112 Ų | 112 | 26.9 Ų | 26.9 | 49% | 0.487 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -60.5 | -45.7 | 172.6 | -179.9 | 179.5 | -173.6 | 147.5 | 0 | 111.8 | V273 Y275 M279 G280 A328 L330 | V273-K277 WeakPolarHBondContact O-CB 3.31Å; V273-K277 PolarHBondContact O-N 2.72Å; Y275-K277 VanDerWaalsContact C-N 3.32Å; Y275-K277 PolarHBondContact O-N 2.81Å; K277-M279 VanDerWaalsContact C-N 3.34Å; K277-G280 PolarHBondContact O-N 2.84Å; K277-A328 HydrophobicContact CD-CB 4.02Å; K277-A328 WeakPolarHBondContact CD-O 3.47Å; K277-A328 VanDerWaalsContact CE-O 3.28Å; K277-A328 WeakPolarHBondContact CE-O 3.28Å; K277-A328 PolarHBondContact NZ-O 2.76Å; K277-L330 HydrophobicContact CB-CD1 4.4Å |
| 278 | W | 98.3 | Very high | 98.6 | Very high | 104 Ų | 104 | 24.4 Ų | 24.4 | 39% | 0.394 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -64 | -39.6 | 179.6 | 173.4 | 83.7 | 0 | 0 | 0 | 112.1 | P274 Y275 G280 Q600 R604 | P274-W278 VanDerWaalsContact O-CB 3.25Å; P274-W278 WeakPolarHBondContact O-CB 3.45Å; P274-W278 PolarHBondContact O-N 3.16Å; Y275-W278 HydrophobicContact CE2-CE3 4.49Å; Y275-W278 HydrophobicContact CE2-CZ3 4.42Å; Y275-W278 PolarHBondContact O-N 3.32Å; Y275-W278 VanDerWaalsContact O-N 3.12Å; W278-G280 PolarHBondContact O-N 2.78Å; W278-Q600 HydrophobicContact CH2-CG 4.32Å; W278-Q600 HydrophobicContact CZ3-CG 4.08Å; W278-R604 VanDerWaalsContact O-CD 3.31Å; W278-R604 WeakPolarHBondContact O-CD 3.47Å; W278-R604 WeakPolarHBondContact O-CG 3.18Å; W278-R604 PolarHBondContact O-NE 2.92Å |
| 279 | M | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -9.9 | 172.3 | -71.1 | -62.2 | -65.9 | 0 | 0 | 113.4 | Y275 A276 K277 F281 E571 Q600 V603 R604 N607 | Y275-M279 HydrophobicContact CD1-CG 4.25Å; Y275-M279 HydrophobicContact CE1-CG 3.88Å; Y275-M279 HydrophobicContact CE2-CG 4.25Å; Y275-M279 WeakPolarHBondContact O-CG 3.32Å; Y275-M279 PolarHBondContact O-N 3.34Å; A276-M279 PolarHBondContact O-N 3.27Å; K277-M279 VanDerWaalsContact C-N 3.34Å; M279-F281 VanDerWaalsContact C-N 3.35Å; M279-F281 HydrophobicContact CB-CD2 3.55Å; M279-F281 HydrophobicContact CB-CE2 3.65Å; M279-F281 HydrophobicContact CE-CE2 4.43Å; M279-F281 HydrophobicContact CG-CE2 4.28Å; M279-F281 PolarHBondContact O-N 2.84Å; M279-E571 HydrophobicContact CE-CB 3.84Å; M279-E571 HydrophobicContact CE-CG 3.65Å; M279-Q600 HydrophobicContact CE-CG 3.9Å; M279-Q600 WeakPolarHBondContact CE-O 3.25Å; M279-Q600 HydrophobicContact SD-CG 3.59Å; M279-Q600 VanDerWaalsContact SD-CG 3.59Å; M279-V603 HydrophobicContact CE-CB 3.95Å; M279-V603 HydrophobicContact CE-CG1 3.86Å; M279-R604 HydrophobicContact CE-CB 4.4Å; M279-R604 WeakPolarHBondContact O-CA 3.32Å; M279-R604 HydrophobicContact SD-CB 4.3Å; M279-N607 WeakPolarHBondContact O-CB 3.42Å; M279-N607 PolarHBondContact O-ND2 3.23Å |
| 280 | G | 98.4 | Very high | 98.5 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 7.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | A276 K277 W278 R611 | A276-G280 PolarHBondContact O-N 2.81Å; K277-G280 PolarHBondContact O-N 2.84Å; W278-G280 PolarHBondContact O-N 2.78Å; G280-R611 WeakPolarHBondContact O-CD 3.47Å; G280-R611 PolarHBondContact O-NH1 3.11Å |
| 281 | F | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -57.6 | 155.9 | 171.9 | -68.9 | -75.9 | 0 | 0 | 0 | 111.1 | S244 Y246 A276 M279 L330 W558 V603 N607 R611 | S244-F281 WeakPolarHBondContact OG-CD1 3.27Å; Y246-F281 HydrophobicContact CD2-CD2 4.17Å; Y246-F281 HydrophobicContact CD2-CE1 4.32Å; Y246-F281 AromaticContact CD2-CE2 3.53Å; Y246-F281 HydrophobicContact CD2-CE2 3.53Å; Y246-F281 AromaticContact CD2-CZ 3.62Å; Y246-F281 HydrophobicContact CD2-CZ 3.62Å; Y246-F281 HydrophobicContact CE2-CE2 4.2Å; Y246-F281 HydrophobicContact CE2-CZ 4.43Å; Y246-F281 HydrophobicContact CG-CD2 4.01Å; Y246-F281 AromaticContact CG-CE2 3.85Å; Y246-F281 HydrophobicContact CG-CE2 3.85Å; Y246-F281 HydrophobicContact CG-CG 4.49Å; Y246-F281 HydrophobicContact CG-CZ 4.2Å; A276-F281 PolarHBondContact O-N 3.29Å; M279-F281 VanDerWaalsContact C-N 3.35Å; M279-F281 HydrophobicContact CB-CD2 3.55Å; M279-F281 HydrophobicContact CB-CE2 3.65Å; M279-F281 HydrophobicContact CE-CE2 4.43Å; M279-F281 HydrophobicContact CG-CE2 4.28Å; M279-F281 PolarHBondContact O-N 2.84Å; F281-L330 VanDerWaalsContact O-CD2 3.23Å; F281-L330 WeakPolarHBondContact O-CD2 3.39Å; F281-W558 HydrophobicContact CE1-CZ2 4.45Å; F281-V603 HydrophobicContact CZ-CG1 4.05Å; F281-N607 WeakPolarHBondContact CD1-ND2 3.16Å; F281-N607 WeakPolarHBondContact CE1-ND2 3.08Å; F281-R611 PolarHBondContact O-NH1 3.19Å; F281-R611 VanDerWaalsContact O-NH1 3.08Å | ||
| 282 | T | 98.7 | Very high | 98.4 | Very high | 10 Ų | 10 | 17 Ų | 17 | 6% | 0.061 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -105.5 | -22.7 | 176.6 | 59 | 0 | 0 | 0 | 0 | 112.1 | P242 I243 S244 N331 R611 | P242-T282 WeakPolarHBondContact O-CG2 3.46Å; P242-T282 PolarHBondContact O-OG1 2.71Å; I243-T282 WeakPolarHBondContact CA-OG1 3.12Å; S244-T282 PolarHBondContact N-OG1 2.86Å; S244-T282 PolarHBondContact O-N 2.97Å; S244-T282 PolarHBondContact O-OG1 3.34Å; T282-N331 PolarHBondContact O-N 2.75Å; T282-R611 HydrophobicContact CG2-CG 3.84Å |
| 283 | H | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 146.2 | -178 | -63.3 | 68.9 | 0 | 0 | 0 | 111.1 | N237 S244 I245 Y246 N331 I333 | N237-H283 PolarHBondContact OD1-NE2 2.76Å; S244-H283 PolarHBondContact O-N 3.39Å; S244-H283 VanDerWaalsContact O-N 3.11Å; I245-H283 HydrophobicContact CB-CB 4.4Å; I245-H283 HydrophobicContact CG1-CB 3.88Å; Y246-H283 PolarHBondContact N-O 3.21Å; H283-N331 CarbonylContact C-O 3.56Å; H283-N331 VanDerWaalsContact CA-O 3.23Å; H283-N331 WeakPolarHBondContact CA-O 3.48Å; H283-N331 VanDerWaalsContact CD2-CB 3.46Å; H283-N331 WeakPolarHBondContact CD2-CB 3.2Å; H283-N331 PolarHBondContact NE2-ND2 2.67Å; H283-I333 HydrophobicContact CB-CD1 4.04Å; H283-I333 HydrophobicContact CB-CG1 4.27Å |
| 284 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 126.4 | 161.9 | -72.9 | 175.2 | 0 | 0 | 0 | 108 | Y246 V248 L272 V273 A276 F321 A325 L330 N331 V332 I333 | Y246-L284 HydrophobicContact CD1-CD2 3.97Å; V248-L284 HydrophobicContact CG2-CD2 4.42Å; L272-L284 HydrophobicContact CD1-CD2 4.45Å; V273-L284 HydrophobicContact CG2-CD1 4.24Å; A276-L284 HydrophobicContact CB-CD2 3.6Å; A276-L284 HydrophobicContact CB-CG 4.39Å; L284-F321 HydrophobicContact CD1-CZ 4.18Å; L284-A325 HydrophobicContact CD1-CB 4.33Å; L284-L330 HydrophobicContact CD1-CD1 4.05Å; L284-L330 HydrophobicContact CG-CD1 4.16Å; L284-N331 PolarHBondContact N-O 3.5Å; L284-V332 CarbonylContact O-C 3.47Å; L284-V332 WeakPolarHBondContact O-CA 3.49Å; L284-I333 PolarHBondContact O-N 3.07Å |
| 285 | E | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 124.8 | 168.2 | -177.5 | 171.2 | 111 | 0 | 0 | 109.3 | I245 Y246 E247 V248 I333 W481 L565 | I245-E285 HydrophobicContact CG2-CB 3.33Å; I245-E285 HydrophobicContact CG2-CG 4.44Å; Y246-E285 PolarHBondContact O-N 3.49Å; E247-E285 CarbonylContact C-O 3.58Å; E247-E285 WeakPolarHBondContact CA-O 3.48Å; E247-E285 HydrophobicContact CB-CB 4.32Å; E247-E285 HydrophobicContact CG-CB 4.5Å; E247-E285 HydrophobicContact CG-CG 4.44Å; V248-E285 PolarHBondContact N-O 2.88Å; E285-I333 WeakPolarHBondContact CA-O 3.25Å; E285-I333 HydrophobicContact CB-CB 3.94Å; E285-I333 HydrophobicContact CB-CD1 4.49Å; E285-I333 HydrophobicContact CB-CG2 4.42Å; E285-I333 HydrophobicContact CG-CB 3.99Å; E285-I333 HydrophobicContact CG-CG2 3.94Å; E285-W481 WeakPolarHBondContact OE1-CZ2 3.24Å; E285-L565 WeakPolarHBondContact OE1-CD1 3.32Å |
| 286 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 124.2 | -179.3 | -51.8 | -177.4 | 0 | 0 | 0 | 108.5 | L250 I289 F318 F321 V332 I333 L334 D335 | L250-L286 HydrophobicContact CD2-CD2 3.92Å; L250-L286 HydrophobicContact CG-CD2 4.35Å; L286-I289 HydrophobicContact CB-CG2 4.33Å; L286-I289 HydrophobicContact CD1-CG2 4.39Å; L286-F318 HydrophobicContact CD1-CE2 3.9Å; L286-F318 HydrophobicContact CD1-CZ 4.12Å; L286-F321 HydrophobicContact CD1-CE1 4.02Å; L286-F321 HydrophobicContact CD2-CE1 4.24Å; L286-F321 HydrophobicContact CD2-CZ 4.41Å; L286-V332 HydrophobicContact CD1-CG1 3.84Å; L286-V332 HydrophobicContact CG-CG1 3.99Å; L286-I333 PolarHBondContact N-O 3.44Å; L286-L334 HydrophobicContact CB-CD1 4.39Å; L286-D335 WeakPolarHBondContact O-CB 3.33Å; L286-D335 PolarHBondContact O-N 3.35Å |
| 287 | L | 98.7 | Very high | 97.4 | Very high | 4 Ų | 4 | 22.9 Ų | 22.9 | 2% | 0.021 | 11% | 0.111 | C | C | . | . | P | Polyproline II helix | trans | -52.8 | 155.7 | 159.7 | -99.5 | 66.9 | 0 | 0 | 0 | 109.8 | E247 V248 H249 I289 W298 Y300 F567 W578 | E247-L287 HydrophobicContact CG-CD1 3.76Å; V248-L287 PolarHBondContact O-N 2.78Å; V248-L287 VanDerWaalsContact O-N 3.09Å; H249-L287 HydrophobicContact CB-CB 4.33Å; H249-L287 HydrophobicContact CB-CD2 3.94Å; L287-I289 WeakPolarHBondContact O-CG2 3.18Å; L287-I289 PolarHBondContact O-N 2.92Å; L287-W298 HydrophobicContact CD2-CB 4Å; L287-Y300 HydrophobicContact CD2-CE2 4.15Å; L287-Y300 HydrophobicContact CG-CE2 4.17Å; L287-F567 HydrophobicContact CD1-CE2 4.4Å; L287-W578 HydrophobicContact CD2-CH2 4.14Å |
| 288 | P | 98.4 | Very high | 97.4 | Very high | 5 Ų | 5 | 19 Ų | 19 | 3% | 0.032 | 9% | 0.094 | C | C | . | . | P | Polyproline II helix | trans | -54.8 | 123.9 | -163.2 | -22.6 | 28.1 | 0 | 0 | 0 | 113.5 | N290 Y300 D335 V337 | P288-N290 WeakPolarHBondContact CB-OD1 3.29Å; P288-Y300 HydrophobicContact CG-CD1 3.58Å; P288-Y300 HydrophobicContact CG-CD2 4.41Å; P288-Y300 HydrophobicContact CG-CE1 3.56Å; P288-Y300 HydrophobicContact CG-CE2 4.41Å; P288-Y300 HydrophobicContact CG-CG 4.01Å; P288-D335 HydrophobicContact CG-CB 3.78Å; P288-V337 HydrophobicContact CB-CG2 3.78Å; P288-V337 HydrophobicContact CG-CG2 3.49Å; P288-V337 VanDerWaalsContact CG-CG2 3.49Å |
| 289 | I | 97.7 | Very high | 97.3 | Very high | 3 Ų | 3 | 14 Ų | 14 | 2% | 0.015 | 8% | 0.075 | C | C | . | . | trans | -100.2 | 0.7 | 179.6 | 57.8 | 53.5 | 0 | 0 | 0 | 113.8 | L250 L286 L287 P308 T309 F318 L334 W393 | L250-I289 HydrophobicContact CD1-CG2 3.89Å; L286-I289 HydrophobicContact CB-CG2 4.33Å; L286-I289 HydrophobicContact CD1-CG2 4.39Å; L287-I289 WeakPolarHBondContact O-CG2 3.18Å; L287-I289 PolarHBondContact O-N 2.92Å; I289-P308 CarbonylContact O-C 3.51Å; I289-P308 WeakPolarHBondContact O-CA 3.44Å; I289-T309 PolarHBondContact O-N 2.85Å; I289-F318 HydrophobicContact CD1-CE1 3.98Å; I289-F318 HydrophobicContact CD1-CZ 4.05Å; I289-F318 HydrophobicContact CG1-CE1 4.09Å; I289-F318 HydrophobicContact CG1-CE2 4.15Å; I289-F318 HydrophobicContact CG1-CZ 3.65Å; I289-L334 HydrophobicContact CD1-CD1 3.96Å; I289-L334 HydrophobicContact CD1-CD2 3.93Å; I289-L334 HydrophobicContact CG1-CD1 3.58Å; I289-L334 HydrophobicContact CG1-CD2 4.4Å; I289-W393 HydrophobicContact CD1-CE3 4.11Å; I289-W393 HydrophobicContact CD1-CH2 3.14Å; I289-W393 HydrophobicContact CD1-CZ2 3.64Å; I289-W393 HydrophobicContact CD1-CZ3 3.42Å; I289-W393 VanDerWaalsContact CD1-CZ3 3.42Å | ||
| 290 | N | 96.4 | Very high | 97.2 | Very high | 3 Ų | 3 | 15 Ų | 15 | 2% | 0.016 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 157 | 170.8 | 48.2 | -103.8 | 0 | 0 | 0 | 110.7 | P288 H292 G299 P302 L305 A307 W393 | P288-N290 WeakPolarHBondContact CB-OD1 3.29Å; N290-H292 PolarHBondContact O-N 2.91Å; N290-H292 PolarHBondContact O-ND1 2.91Å; N290-G299 PolarHBondContact ND2-O 2.62Å; N290-P302 VanDerWaalsContact ND2-CB 3.29Å; N290-P302 WeakPolarHBondContact ND2-CB 3.17Å; N290-L305 HydrophobicContact CB-CD2 4.48Å; N290-A307 CarbonylContact C-O 3.57Å; N290-A307 VanDerWaalsContact CA-O 3.32Å; N290-A307 WeakPolarHBondContact CA-O 3.43Å; N290-W393 HydrophobicContact CB-CZ2 4.49Å |
| 291 | E | 97.7 | Very high | 97.1 | Very high | 10 Ų | 10 | 17.3 Ų | 17.3 | 5% | 0.047 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 132.5 | 175.2 | -169.6 | 57.4 | -89.4 | 0 | 0 | 110.4 | A210 T303 G304 A307 T309 R310 R311 | A210-E291 HydrophobicContact CB-CB 4.34Å; A210-E291 HydrophobicContact CB-CG 3.9Å; E291-T303 PolarHBondContact O-N 3.16Å; E291-G304 PolarHBondContact N-O 3.15Å; E291-G304 VanDerWaalsContact N-O 3.16Å; E291-G304 PolarHBondContact O-N 2.99Å; E291-G304 VanDerWaalsContact O-N 3.07Å; E291-A307 HydrophobicContact CB-CB 4.32Å; E291-A307 PolarHBondContact N-O 2.94Å; E291-T309 PolarHBondContact OE1-OG1 3.06Å; E291-T309 WeakPolarHBondContact OE2-CA 3.43Å; E291-T309 PolarHBondContact OE2-OG1 2.93Å; E291-R310 PolarHBondContact OE2-N 2.73Å; E291-R311 IonicContact OE1-CZ 3.26Å; E291-R311 IonicContact OE1-NH1 3.32Å; E291-R311 PolarHBondContact OE1-NH1 3.11Å |
| 292 | H | 97.1 | Very high | 97 | Very high | 6 Ų | 6 | 17.4 Ų | 17.4 | 3% | 0.028 | 9% | 0.09 | C | C | . | . | trans | -145.8 | 142.3 | -175.4 | 55.8 | -88.6 | 0 | 0 | 0 | 109.4 | N290 F294 Q301 R311 | N290-H292 PolarHBondContact O-N 2.91Å; N290-H292 PolarHBondContact O-ND1 2.91Å; H292-F294 PolarHBondContact CD2-O 2.56Å; H292-Q301 WeakPolarHBondContact CB-O 3.38Å; H292-R311 PolarHBondContact CD2-NH2 2.78Å; H292-R311 PolarHBondContact NE2-NH2 2.94Å; H292-R311 VanDerWaalsContact O-CZ 3.29Å; H292-R311 PolarHBondContact O-NH1 3.02Å; H292-R311 PolarHBondContact O-NH2 2.84Å | ||
| 293 | P | 95.5 | Very high | 96.9 | Very high | 32 Ų | 32 | 17.9 Ų | 17.9 | 21% | 0.208 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -81.4 | -21.3 | -168.6 | 30.4 | -33.4 | 0 | 0 | 0 | 114.2 | R213 Q301 T303 F346 | R213-P293 WeakPolarHBondContact CD-O 3.02Å; P293-Q301 VanDerWaalsContact CD-O 3.31Å; P293-Q301 WeakPolarHBondContact CD-O 3.36Å; P293-T303 HydrophobicContact CG-CG2 3.89Å; P293-F346 HydrophobicContact CB-CZ 4.09Å |
| 294 | F | 94.7 | Very high | 96.7 | Very high | 126 Ų | 126 | 18.3 Ų | 18.3 | 55% | 0.553 | 10% | 0.097 | S | C | * | . | trans | -129.2 | 125 | -171.4 | 179.9 | -127.7 | 0 | 0 | 0 | 111.7 | H292 G296 S297 | H292-F294 PolarHBondContact CD2-O 2.56Å; F294-G296 VanDerWaalsContact C-N 3.29Å; F294-G296 VanDerWaalsContact CE1-CA 3.45Å; F294-G296 PolarHBondContact O-N 3.01Å; F294-S297 PolarHBondContact O-N 3.13Å; F294-S297 PolarHBondContact O-OG 3.12Å | ||
| 295 | D | 94.5 | Very high | 96.6 | Very high | 28 Ų | 28 | 18.4 Ų | 18.4 | 15% | 0.15 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -64.6 | -33 | -178.6 | -63.3 | -18.8 | 0 | 0 | 0 | 113.2 | R213 S297 W298 R311 | R213-D295 VanDerWaalsContact CZ-CG 3.48Å; R213-D295 IonicContact CZ-OD1 2.68Å; R213-D295 IonicContact CZ-OD2 2.77Å; R213-D295 VanDerWaalsContact CZ-OD2 3.25Å; R213-D295 IonicContact NE-OD1 3.25Å; R213-D295 PolarHBondContact NE-OD1 2.96Å; R213-D295 IonicContact NE-OD2 3.36Å; R213-D295 IonicContact NH1-OD2 2.72Å; R213-D295 IonicContact NH2-OD1 2.7Å; R213-D295 PolarHBondContact NH2-OD1 2.88Å; R213-D295 IonicContact NH2-OD2 2.97Å; R213-D295 PolarHBondContact NH2-OD2 3.31Å; D295-S297 PolarHBondContact O-N 2.84Å; D295-W298 PolarHBondContact O-N 2.9Å; D295-R311 IonicContact OD1-CZ 3.63Å; D295-R311 VanDerWaalsContact OD1-CZ 3.25Å; D295-R311 IonicContact OD1-NE 3.86Å; D295-R311 PolarHBondContact OD1-NE 2.95Å; D295-R311 IonicContact OD1-NH2 3.96Å; D295-R311 PolarHBondContact OD1-NH2 2.91Å |
| 296 | G | 93.9 | Very high | 96.6 | Very high | 21 Ų | 21 | 18.4 Ų | 18.4 | 22% | 0.216 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -73.5 | -5.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | F294 W298 H580 | F294-G296 VanDerWaalsContact C-N 3.29Å; F294-G296 VanDerWaalsContact CE1-CA 3.45Å; F294-G296 PolarHBondContact O-N 3.01Å; G296-W298 PolarHBondContact O-NE1 3.08Å; G296-H580 WeakPolarHBondContact CA-NE2 3.47Å |
| 297 | S | 94.7 | Very high | 96.5 | Very high | 14 Ų | 14 | 18.4 Ų | 18.4 | 10% | 0.098 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -80 | -7.7 | 166.4 | 72.7 | 0 | 0 | 0 | 0 | 112.6 | F294 D295 G299 Y300 | F294-S297 PolarHBondContact O-N 3.13Å; F294-S297 PolarHBondContact O-OG 3.12Å; D295-S297 PolarHBondContact O-N 2.84Å; S297-G299 PolarHBondContact O-N 2.66Å; S297-G299 PolarHBondContact OG-N 2.85Å; S297-Y300 WeakPolarHBondContact O-CD2 3.38Å; S297-Y300 PolarHBondContact O-N 2.69Å |
| 298 | W | 97.2 | Very high | 96.4 | Very high | 30 Ų | 30 | 18.4 Ų | 18.4 | 11% | 0.114 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | 13.3 | -176.3 | -45 | -26.5 | 0 | 0 | 0 | 114.3 | L287 D295 G296 Y300 H525 V529 H530 W578 H580 | L287-W298 HydrophobicContact CD2-CB 4Å; D295-W298 PolarHBondContact O-N 2.9Å; G296-W298 PolarHBondContact O-NE1 3.08Å; W298-Y300 HydrophobicContact CB-CD2 4.15Å; W298-Y300 HydrophobicContact CB-CE2 4.32Å; W298-H525 AromaticContact CE3-CD2 3.53Å; W298-H525 AromaticContact CE3-NE2 3.62Å; W298-H525 AromaticContact CZ3-CD2 3.49Å; W298-H525 VanDerWaalsContact CZ3-CD2 3.49Å; W298-H525 WeakPolarHBondContact CZ3-CD2 3.37Å; W298-H525 AromaticContact CZ3-NE2 3.75Å; W298-V529 HydrophobicContact CH2-CB 4.37Å; W298-V529 HydrophobicContact CH2-CG1 4.25Å; W298-V529 HydrophobicContact CH2-CG2 4.01Å; W298-H530 AromaticContact CH2-CE1 3.61Å; W298-H530 AromaticContact CH2-NE2 3.85Å; W298-H530 AromaticContact CZ2-NE2 3.99Å; W298-W578 HydrophobicContact CB-CH2 4.21Å; W298-W578 AromaticContact CD1-CH2 3.85Å; W298-W578 AromaticContact CD2-CH2 3.55Å; W298-W578 HydrophobicContact CD2-CH2 3.55Å; W298-W578 AromaticContact CD2-CZ3 3.6Å; W298-W578 HydrophobicContact CD2-CZ3 3.6Å; W298-W578 AromaticContact CE2-CH2 3.78Å; W298-W578 AromaticContact CE2-CZ3 3.66Å; W298-W578 HydrophobicContact CE3-CH2 4.03Å; W298-W578 AromaticContact CE3-CZ3 3.72Å; W298-W578 HydrophobicContact CE3-CZ3 3.72Å; W298-W578 AromaticContact CG-CH2 3.62Å; W298-W578 HydrophobicContact CG-CH2 3.62Å; W298-W578 HydrophobicContact CG-CZ3 4.19Å; W298-W578 AromaticContact CH2-CZ3 3.96Å; W298-W578 HydrophobicContact CH2-CZ3 3.96Å; W298-W578 HydrophobicContact CZ2-CH2 4.42Å; W298-W578 AromaticContact CZ2-CZ3 3.85Å; W298-W578 HydrophobicContact CZ2-CZ3 3.85Å; W298-W578 AromaticContact CZ3-CZ3 3.9Å; W298-W578 HydrophobicContact CZ3-CZ3 3.9Å; W298-W578 AromaticContact NE1-CH2 3.96Å; W298-H580 AromaticContact CD1-CG 3.9Å; W298-H580 AromaticContact NE1-CG 3.72Å; W298-H580 AromaticContact NE1-ND1 3.54Å |
| 299 | G | 96.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 107.3 | -18.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | N290 S297 Q301 | N290-G299 PolarHBondContact ND2-O 2.62Å; S297-G299 PolarHBondContact O-N 2.66Å; S297-G299 PolarHBondContact OG-N 2.85Å; G299-Q301 PolarHBondContact O-N 3.02Å |
| 300 | Y | 97.3 | Very high | 96.3 | Very high | 20 Ų | 20 | 22 Ų | 22 | 8% | 0.078 | 11% | 0.111 | C | C | . | . | trans | -71.7 | 4.7 | -174.2 | -63.7 | -75.8 | 0 | 0 | 0 | 114.8 | L287 P288 S297 W298 P302 D335 V337 H340 R403 D405 H525 | L287-Y300 HydrophobicContact CD2-CE2 4.15Å; L287-Y300 HydrophobicContact CG-CE2 4.17Å; P288-Y300 HydrophobicContact CG-CD1 3.58Å; P288-Y300 HydrophobicContact CG-CD2 4.41Å; P288-Y300 HydrophobicContact CG-CE1 3.56Å; P288-Y300 HydrophobicContact CG-CE2 4.41Å; P288-Y300 HydrophobicContact CG-CG 4.01Å; S297-Y300 WeakPolarHBondContact O-CD2 3.38Å; S297-Y300 PolarHBondContact O-N 2.69Å; W298-Y300 HydrophobicContact CB-CD2 4.15Å; W298-Y300 HydrophobicContact CB-CE2 4.32Å; Y300-P302 VanDerWaalsContact C-CD 3.44Å; Y300-P302 WeakPolarHBondContact O-CD 3.48Å; Y300-D335 HydrophobicContact CE1-CB 4.35Å; Y300-D335 PolarHBondContact OH-OD2 2.82Å; Y300-V337 HydrophobicContact CD1-CG2 3.95Å; Y300-H340 PolarHBondContact O-CE1 3.22Å; Y300-H340 PolarHBondContact O-NE2 2.63Å; Y300-R403 PolarHBondContact OH-NH1 2.67Å; Y300-D405 HydrophobicContact CD1-CB 4.22Å; Y300-D405 HydrophobicContact CE1-CB 3.82Å; Y300-H525 AromaticContact CE2-CE1 3.95Å; Y300-H525 AromaticContact CE2-NE2 3.71Å; Y300-H525 AromaticContact CZ-CE1 3.91Å; Y300-H525 PolarHBondContact OH-CE1 3.39Å | ||
| 301 | Q | 96.8 | Very high | 96.2 | Very high | 51 Ų | 51 | 22.4 Ų | 22.4 | 24% | 0.238 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -121 | 73.4 | 171.4 | -69.4 | -179.2 | -9.1 | 0 | 0 | 110.2 | H292 P293 G299 P342 T372 | H292-Q301 WeakPolarHBondContact CB-O 3.38Å; P293-Q301 VanDerWaalsContact CD-O 3.31Å; P293-Q301 WeakPolarHBondContact CD-O 3.36Å; G299-Q301 PolarHBondContact O-N 3.02Å; Q301-P342 HydrophobicContact CB-CB 4.21Å; Q301-P342 HydrophobicContact CB-CG 4.19Å; Q301-T372 HydrophobicContact CG-CG2 4.24Å |
| 302 | P | 96.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.013 | 11% | 0.112 | C | C | . | . | trans | -67.5 | 141.1 | -176 | 26.5 | -35.9 | 0 | 0 | 0 | 113 | N290 Y300 L305 V337 P342 | N290-P302 VanDerWaalsContact ND2-CB 3.29Å; N290-P302 WeakPolarHBondContact ND2-CB 3.17Å; Y300-P302 VanDerWaalsContact C-CD 3.44Å; Y300-P302 WeakPolarHBondContact O-CD 3.48Å; P302-L305 HydrophobicContact CB-CD2 3.52Å; P302-L305 HydrophobicContact CB-CG 4.16Å; P302-L305 HydrophobicContact CG-CD2 3.78Å; P302-V337 HydrophobicContact CG-CB 4.15Å; P302-V337 HydrophobicContact CG-CG1 4.16Å; P302-P342 WeakPolarHBondContact O-CD 3.35Å | ||
| 303 | T | 96 | Very high | 96.1 | Very high | 19 Ų | 19 | 23 Ų | 23 | 12% | 0.117 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -118.1 | -19.6 | 164.6 | 52 | 0 | 0 | 0 | 0 | 113.1 | E291 P293 P342 D344 F346 A347 | E291-T303 PolarHBondContact O-N 3.16Å; P293-T303 HydrophobicContact CG-CG2 3.89Å; T303-P342 HydrophobicContact CG2-CG 3.7Å; T303-D344 HydrophobicContact CG2-CB 4.24Å; T303-F346 HydrophobicContact CG2-CE2 4.04Å; T303-F346 HydrophobicContact CG2-CZ 4.05Å; T303-A347 HydrophobicContact CG2-CB 3.74Å |
| 304 | G | 95.6 | Very high | 96.1 | Very high | 10 Ų | 10 | 23.1 Ų | 23.1 | 10% | 0.103 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 84.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E291 Y306 A307 | E291-G304 PolarHBondContact N-O 3.15Å; E291-G304 VanDerWaalsContact N-O 3.16Å; E291-G304 PolarHBondContact O-N 2.99Å; E291-G304 VanDerWaalsContact O-N 3.07Å; G304-Y306 PolarHBondContact O-N 3.01Å; G304-A307 PolarHBondContact O-N 2.84Å |
| 305 | L | 96.2 | Very high | 96.1 | Very high | 3 Ų | 3 | 18.4 Ų | 18.4 | 2% | 0.016 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | -25.5 | -175.3 | -78.8 | -178.8 | 0 | 0 | 0 | 114.3 | N290 P302 Y375 F385 L386 N389 W393 | N290-L305 HydrophobicContact CB-CD2 4.48Å; P302-L305 HydrophobicContact CB-CD2 3.52Å; P302-L305 HydrophobicContact CB-CG 4.16Å; P302-L305 HydrophobicContact CG-CD2 3.78Å; L305-Y375 WeakPolarHBondContact CD1-OH 3.45Å; L305-F385 HydrophobicContact CB-CZ 4.34Å; L305-F385 HydrophobicContact CD1-CE1 3.6Å; L305-F385 HydrophobicContact CD1-CZ 3.8Å; L305-F385 HydrophobicContact CG-CZ 4.48Å; L305-L386 HydrophobicContact CD1-CD2 3.86Å; L305-N389 VanDerWaalsContact C-ND2 3.25Å; L305-N389 PolarHBondContact O-ND2 3.17Å; L305-W393 VanDerWaalsContact O-CZ2 3.26Å; L305-W393 WeakPolarHBondContact O-CZ2 3.3Å; L305-W393 PolarHBondContact O-NE1 3.13Å |
| 306 | Y | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | -1 | -177.7 | -74.1 | -93.3 | 0 | 0 | 0 | 114 | Y122 P205 Y206 A207 G304 F385 N389 Y392 | Y122-Y306 AromaticContact CD1-CE1 3.78Å; Y122-Y306 HydrophobicContact CD1-CE1 3.78Å; Y122-Y306 AromaticContact CG-CE1 3.97Å; Y122-Y306 HydrophobicContact CG-CE1 3.97Å; P205-Y306 WeakPolarHBondContact O-CD2 3.26Å; Y206-Y306 HydrophobicContact CD1-CD1 4.5Å; Y206-Y306 HydrophobicContact CD1-CD2 4.12Å; Y206-Y306 HydrophobicContact CD1-CE1 4.17Å; Y206-Y306 AromaticContact CD1-CE2 3.77Å; Y206-Y306 HydrophobicContact CD1-CE2 3.77Å; Y206-Y306 HydrophobicContact CD1-CG 4.46Å; Y206-Y306 AromaticContact CD1-CZ 3.76Å; Y206-Y306 HydrophobicContact CE1-CE1 4.31Å; Y206-Y306 AromaticContact CE1-CE2 3.8Å; Y206-Y306 HydrophobicContact CE1-CE2 3.8Å; Y206-Y306 AromaticContact CE1-CZ 3.59Å; Y206-Y306 WeakPolarHBondContact CE1-OH 3.26Å; A207-Y306 CarbonylContact O-C 3.56Å; A207-Y306 VanDerWaalsContact O-CB 3.3Å; A207-Y306 WeakPolarHBondContact O-CB 3.33Å; G304-Y306 PolarHBondContact O-N 3.01Å; Y306-F385 AromaticContact CD2-CE2 4Å; Y306-F385 HydrophobicContact CD2-CE2 4Å; Y306-F385 AromaticContact CE2-CD2 3.77Å; Y306-F385 HydrophobicContact CE2-CD2 3.77Å; Y306-F385 AromaticContact CE2-CE2 3.48Å; Y306-F385 HydrophobicContact CE2-CE2 3.48Å; Y306-F385 VanDerWaalsContact CE2-CE2 3.48Å; Y306-F385 HydrophobicContact CE2-CZ 4.23Å; Y306-F385 PolarHBondContact OH-O 3.42Å; Y306-N389 HydrophobicContact CE1-CB 4.18Å; Y306-N389 HydrophobicContact CE2-CB 3.87Å; Y306-N389 WeakPolarHBondContact OH-CA 3.41Å; Y306-N389 PolarHBondContact OH-N 2.79Å; Y306-Y392 AromaticContact CD1-CD1 3.61Å; Y306-Y392 HydrophobicContact CD1-CD1 3.61Å; Y306-Y392 AromaticContact CD1-CD2 3.97Å; Y306-Y392 HydrophobicContact CD1-CD2 3.97Å; Y306-Y392 HydrophobicContact CD1-CE1 4.02Å; Y306-Y392 HydrophobicContact CD1-CE2 4.37Å; Y306-Y392 AromaticContact CD1-CG 3.56Å; Y306-Y392 HydrophobicContact CD1-CG 3.56Å; Y306-Y392 HydrophobicContact CE1-CD1 4.27Å; Y306-Y392 HydrophobicContact CE1-CD2 4.4Å; Y306-Y392 AromaticContact CE1-CG 3.89Å; Y306-Y392 HydrophobicContact CE1-CG 3.89Å; Y306-Y392 HydrophobicContact CG-CD1 4.42Å; Y306-Y392 WeakPolarHBondContact O-CE1 3.26Å; Y306-Y392 VanDerWaalsContact O-CZ 3.24Å; Y306-Y392 PolarHBondContact O-OH 2.96Å |
| 307 | A | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 123.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | A207 A210 N290 E291 G304 | A207-A307 WeakPolarHBondContact O-CB 3.5Å; A207-A307 PolarHBondContact O-N 2.83Å; A210-A307 HydrophobicContact CB-CB 4.47Å; N290-A307 CarbonylContact C-O 3.57Å; N290-A307 VanDerWaalsContact CA-O 3.32Å; N290-A307 WeakPolarHBondContact CA-O 3.43Å; E291-A307 HydrophobicContact CB-CB 4.32Å; E291-A307 PolarHBondContact N-O 2.94Å; G304-A307 PolarHBondContact O-N 2.84Å |
| 308 | P | 97.5 | Very high | 96.5 | Very high | 4 Ų | 4 | 20.6 Ų | 20.6 | 3% | 0.026 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 141.1 | 163 | -16.5 | 27.9 | 0 | 0 | 0 | 109.7 | I289 R310 R315 F318 W393 F397 | I289-P308 CarbonylContact O-C 3.51Å; I289-P308 WeakPolarHBondContact O-CA 3.44Å; P308-R310 PolarHBondContact O-N 3.03Å; P308-R315 HydrophobicContact CG-CB 3.95Å; P308-F318 HydrophobicContact CB-CB 4.22Å; P308-F318 HydrophobicContact CB-CD1 3.91Å; P308-F318 HydrophobicContact CB-CG 4.19Å; P308-F318 HydrophobicContact CG-CB 4.45Å; P308-F318 HydrophobicContact CG-CD1 3.78Å; P308-F318 HydrophobicContact CG-CG 4.43Å; P308-W393 HydrophobicContact CB-CH2 4.26Å; P308-W393 HydrophobicContact CG-CH2 3.75Å; P308-W393 HydrophobicContact CG-CZ3 3.9Å; P308-F397 HydrophobicContact CG-CE1 3.76Å; P308-F397 HydrophobicContact CG-CE2 4.36Å; P308-F397 HydrophobicContact CG-CZ 3.54Å |
| 309 | T | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -62.1 | 138 | -174.9 | -175.5 | 0 | 0 | 0 | 0 | 111 | Y265 I289 E291 R311 F312 | Y265-T309 PolarHBondContact OH-O 2.81Å; I289-T309 PolarHBondContact O-N 2.85Å; E291-T309 PolarHBondContact OE1-OG1 3.06Å; E291-T309 WeakPolarHBondContact OE2-CA 3.43Å; E291-T309 PolarHBondContact OE2-OG1 2.93Å; T309-R311 HydrophobicContact CG2-CB 4.25Å; T309-R311 PolarHBondContact O-N 2.8Å; T309-R311 PolarHBondContact OG1-NH1 2.85Å; T309-F312 HydrophobicContact CG2-CD2 3.74Å; T309-F312 HydrophobicContact CG2-CE2 3.55Å; T309-F312 HydrophobicContact CG2-CZ 4.44Å | ||
| 310 | R | 96.1 | Very high | 96.5 | Very high | 82 Ų | 82 | 26 Ų | 26 | 31% | 0.309 | 13% | 0.125 | S | C | . | . | G | 310 helix | trans | -69.3 | -14.8 | -177.2 | -171.4 | 59.1 | -178.5 | 169 | -7.3 | 113.4 | E209 M212 E291 P308 F312 G313 | E209-R310 IonicContact OE1-CZ 2.75Å; E209-R310 IonicContact OE1-NE 3.5Å; E209-R310 IonicContact OE1-NH1 2.84Å; E209-R310 PolarHBondContact OE1-NH1 3.28Å; E209-R310 IonicContact OE1-NH2 3.6Å; M212-R310 HydrophobicContact CB-CB 4.34Å; M212-R310 HydrophobicContact CB-CG 3.86Å; M212-R310 HydrophobicContact SD-CB 4.24Å; M212-R310 HydrophobicContact SD-CG 4.42Å; E291-R310 PolarHBondContact OE2-N 2.73Å; P308-R310 PolarHBondContact O-N 3.03Å; R310-F312 PolarHBondContact O-N 2.95Å; R310-G313 WeakPolarHBondContact CD-O 3.48Å; R310-G313 VanDerWaalsContact NH1-C 3.32Å; R310-G313 PolarHBondContact NH1-O 3.2Å; R310-G313 VanDerWaalsContact NH1-O 3.12Å; R310-G313 PolarHBondContact O-N 3.07Å |
| 311 | R | 95.5 | Very high | 96.6 | Very high | 12 Ų | 12 | 25 Ų | 25 | 5% | 0.045 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -52.8 | -38.1 | -177 | -70.6 | 165.4 | 176.2 | 76.7 | -16.8 | 113.8 | M212 W262 E291 H292 D295 T309 | M212-R311 HydrophobicContact CE-CB 4.18Å; M212-R311 HydrophobicContact CE-CG 3.63Å; M212-R311 VanDerWaalsContact SD-CA 3.57Å; M212-R311 HydrophobicContact SD-CB 4.31Å; M212-R311 HydrophobicContact SD-CG 3.88Å; W262-R311 HydrophobicContact CE3-CB 4.44Å; E291-R311 IonicContact OE1-CZ 3.26Å; E291-R311 IonicContact OE1-NH1 3.32Å; E291-R311 PolarHBondContact OE1-NH1 3.11Å; H292-R311 PolarHBondContact CD2-NH2 2.78Å; H292-R311 PolarHBondContact NE2-NH2 2.94Å; H292-R311 VanDerWaalsContact O-CZ 3.29Å; H292-R311 PolarHBondContact O-NH1 3.02Å; H292-R311 PolarHBondContact O-NH2 2.84Å; D295-R311 IonicContact OD1-CZ 3.63Å; D295-R311 VanDerWaalsContact OD1-CZ 3.25Å; D295-R311 IonicContact OD1-NE 3.86Å; D295-R311 PolarHBondContact OD1-NE 2.95Å; D295-R311 IonicContact OD1-NH2 3.96Å; D295-R311 PolarHBondContact OD1-NH2 2.91Å; T309-R311 HydrophobicContact CG2-CB 4.25Å; T309-R311 PolarHBondContact O-N 2.8Å; T309-R311 PolarHBondContact OG1-NH1 2.85Å |
| 312 | F | 96.9 | Very high | 96.7 | Very high | 11 Ų | 11 | 22.6 Ų | 22.6 | 5% | 0.048 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -107.1 | 0.5 | -173.8 | -38.3 | -57.3 | 0 | 0 | 0 | 113 | L250 W262 S264 Y265 T309 R310 | L250-F312 HydrophobicContact CB-CD2 4.22Å; L250-F312 HydrophobicContact CB-CE2 3.81Å; L250-F312 HydrophobicContact CB-CZ 4.01Å; L250-F312 HydrophobicContact CD1-CD2 4.25Å; L250-F312 HydrophobicContact CD1-CE2 4.37Å; W262-F312 HydrophobicContact CB-CD1 3.78Å; W262-F312 HydrophobicContact CB-CE1 3.87Å; W262-F312 AromaticContact CD1-CE1 3.85Å; W262-F312 HydrophobicContact CD2-CE1 4.43Å; W262-F312 HydrophobicContact CG-CD1 4.14Å; W262-F312 AromaticContact CG-CE1 3.76Å; W262-F312 HydrophobicContact CG-CE1 3.76Å; S264-F312 CarbonylContact C-O 3.57Å; S264-F312 WeakPolarHBondContact CA-O 3.15Å; S264-F312 WeakPolarHBondContact CB-O 3.26Å; Y265-F312 HydrophobicContact CD1-CB 3.76Å; Y265-F312 HydrophobicContact CD1-CD2 4.36Å; Y265-F312 HydrophobicContact CD1-CG 4.49Å; Y265-F312 HydrophobicContact CD2-CB 3.78Å; Y265-F312 VanDerWaalsContact CD2-O 3.23Å; Y265-F312 WeakPolarHBondContact CD2-O 3.31Å; Y265-F312 HydrophobicContact CE1-CB 3.69Å; Y265-F312 AromaticContact CE1-CD2 3.59Å; Y265-F312 HydrophobicContact CE1-CD2 3.59Å; Y265-F312 HydrophobicContact CE1-CG 4.09Å; Y265-F312 HydrophobicContact CE2-CB 3.69Å; Y265-F312 HydrophobicContact CG-CB 3.8Å; Y265-F312 AromaticContact CZ-CD2 3.68Å; Y265-F312 PolarHBondContact N-O 3.2Å; T309-F312 HydrophobicContact CG2-CD2 3.74Å; T309-F312 HydrophobicContact CG2-CE2 3.55Å; T309-F312 HydrophobicContact CG2-CZ 4.44Å; R310-F312 PolarHBondContact O-N 2.95Å |
| 313 | G | 95.4 | Very high | 96.7 | Very high | 18 Ų | 18 | 26.4 Ų | 26.4 | 19% | 0.186 | 13% | 0.131 | C | C | . | . | trans | 138 | -157.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R310 | R310-G313 WeakPolarHBondContact CD-O 3.48Å; R310-G313 VanDerWaalsContact NH1-C 3.32Å; R310-G313 PolarHBondContact NH1-O 3.2Å; R310-G313 VanDerWaalsContact NH1-O 3.12Å; R310-G313 PolarHBondContact O-N 3.07Å | ||
| 314 | T | 94.9 | Very high | 96.8 | Very high | 35 Ų | 35 | 26.7 Ų | 26.7 | 22% | 0.215 | 14% | 0.135 | C | C | . | . | trans | -81.5 | 163.8 | 174.3 | 65.9 | 0 | 0 | 0 | 0 | 111 | D316 D317 F318 | T314-D316 PolarHBondContact O-N 3.08Å; T314-D316 PolarHBondContact OG1-N 3.02Å; T314-D317 WeakPolarHBondContact CB-OD2 3.24Å; T314-D317 PolarHBondContact N-OD2 2.7Å; T314-D317 WeakPolarHBondContact O-CB 3.26Å; T314-D317 PolarHBondContact O-N 2.71Å; T314-D317 VanDerWaalsContact O-N 3.11Å; T314-D317 PolarHBondContact OG1-N 2.96Å; T314-D317 VanDerWaalsContact OG1-N 3.07Å; T314-D317 PolarHBondContact OG1-OD2 3.37Å; T314-F318 PolarHBondContact O-N 2.76Å | ||
| 315 | R | 94.9 | Very high | 97 | Very high | 26 Ų | 26 | 26.2 Ų | 26.2 | 10% | 0.098 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.5 | -32.1 | 168.1 | 70.9 | -172.7 | -169.8 | 140.6 | 10.1 | 112.7 | G222 P224 P308 F318 R319 F397 | G222-R315 PolarHBondContact O-NH1 2.91Å; G222-R315 PolarHBondContact O-NH2 3.49Å; P224-R315 VanDerWaalsContact CD-NH1 3.33Å; P308-R315 HydrophobicContact CG-CB 3.95Å; R315-F318 WeakPolarHBondContact O-CB 3.33Å; R315-F318 PolarHBondContact O-N 2.73Å; R315-R319 WeakPolarHBondContact O-CG 3.28Å; R315-R319 PolarHBondContact O-N 2.87Å; R315-F397 HydrophobicContact CB-CE1 4.31Å; R315-F397 HydrophobicContact CB-CZ 4.23Å |
| 316 | D | 95.2 | Very high | 97.1 | Very high | 80 Ų | 80 | 27.6 Ų | 27.6 | 43% | 0.428 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -73.9 | -31.7 | 179 | -66.7 | -24.1 | 0 | 0 | 0 | 110.8 | T314 F318 R319 Y320 | T314-D316 PolarHBondContact O-N 3.08Å; T314-D316 PolarHBondContact OG1-N 3.02Å; D316-F318 VanDerWaalsContact C-N 3.35Å; D316-R319 PolarHBondContact O-N 3.23Å; D316-Y320 PolarHBondContact O-N 2.91Å |
| 317 | D | 97.3 | Very high | 97 | Very high | 30 Ų | 30 | 31.8 Ų | 31.8 | 16% | 0.16 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.9 | -36.4 | 169.7 | -55.9 | -47.9 | 0 | 0 | 0 | 111.3 | Y265 R266 T314 Y320 F321 | Y265-D317 WeakPolarHBondContact CB-O 3.45Å; Y265-D317 HydrophobicContact CD2-CB 4.05Å; Y265-D317 HydrophobicContact CG-CB 4.49Å; R266-D317 HydrophobicContact CG-CB 4.29Å; R266-D317 IonicContact CZ-OD1 2.72Å; R266-D317 IonicContact NE-OD1 3.55Å; R266-D317 PolarHBondContact NE-OD1 2.9Å; R266-D317 IonicContact NH2-OD1 3.56Å; R266-D317 PolarHBondContact NH2-OD1 3.44Å; T314-D317 WeakPolarHBondContact CB-OD2 3.24Å; T314-D317 PolarHBondContact N-OD2 2.7Å; T314-D317 WeakPolarHBondContact O-CB 3.26Å; T314-D317 PolarHBondContact O-N 2.71Å; T314-D317 VanDerWaalsContact O-N 3.11Å; T314-D317 PolarHBondContact OG1-N 2.96Å; T314-D317 VanDerWaalsContact OG1-N 3.07Å; T314-D317 PolarHBondContact OG1-OD2 3.37Å; D317-Y320 WeakPolarHBondContact O-CB 3.37Å; D317-Y320 PolarHBondContact O-N 3.11Å; D317-F321 PolarHBondContact O-N 3.29Å |
| 318 | F | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.4 | -42.9 | 172.3 | -177.1 | -124.4 | 0 | 0 | 0 | 111.8 | Y265 L286 I289 P308 T314 R315 D316 Y320 F321 I322 W393 F397 I399 | Y265-F318 HydrophobicContact CD1-CB 4.17Å; Y265-F318 AromaticContact CD1-CD2 3.63Å; Y265-F318 HydrophobicContact CD1-CD2 3.63Å; Y265-F318 HydrophobicContact CD1-CG 4.35Å; Y265-F318 HydrophobicContact CD2-CB 3.9Å; Y265-F318 HydrophobicContact CE1-CB 4.09Å; Y265-F318 AromaticContact CE1-CD2 3.41Å; Y265-F318 HydrophobicContact CE1-CD2 3.41Å; Y265-F318 VanDerWaalsContact CE1-CD2 3.41Å; Y265-F318 HydrophobicContact CE1-CE2 4.19Å; Y265-F318 HydrophobicContact CE1-CG 4.05Å; Y265-F318 HydrophobicContact CE2-CB 3.84Å; Y265-F318 HydrophobicContact CG-CB 4.08Å; Y265-F318 HydrophobicContact CG-CD2 4.35Å; L286-F318 HydrophobicContact CD1-CE2 3.9Å; L286-F318 HydrophobicContact CD1-CZ 4.12Å; I289-F318 HydrophobicContact CD1-CE1 3.98Å; I289-F318 HydrophobicContact CD1-CZ 4.05Å; I289-F318 HydrophobicContact CG1-CE1 4.09Å; I289-F318 HydrophobicContact CG1-CE2 4.15Å; I289-F318 HydrophobicContact CG1-CZ 3.65Å; P308-F318 HydrophobicContact CB-CB 4.22Å; P308-F318 HydrophobicContact CB-CD1 3.91Å; P308-F318 HydrophobicContact CB-CG 4.19Å; P308-F318 HydrophobicContact CG-CB 4.45Å; P308-F318 HydrophobicContact CG-CD1 3.78Å; P308-F318 HydrophobicContact CG-CG 4.43Å; T314-F318 PolarHBondContact O-N 2.76Å; R315-F318 WeakPolarHBondContact O-CB 3.33Å; R315-F318 PolarHBondContact O-N 2.73Å; D316-F318 VanDerWaalsContact C-N 3.35Å; F318-Y320 VanDerWaalsContact C-N 3.3Å; F318-Y320 PolarHBondContact O-N 3.46Å; F318-F321 HydrophobicContact CD2-CD1 4.24Å; F318-F321 HydrophobicContact CE2-CD1 4.08Å; F318-F321 WeakPolarHBondContact O-CB 3.45Å; F318-F321 PolarHBondContact O-N 2.82Å; F318-F321 VanDerWaalsContact O-N 3.07Å; F318-I322 HydrophobicContact CE1-CD1 4.44Å; F318-I322 HydrophobicContact CE1-CG1 4.23Å; F318-I322 HydrophobicContact CE2-CD1 3.86Å; F318-I322 HydrophobicContact CE2-CG1 4.13Å; F318-I322 HydrophobicContact CZ-CD1 3.73Å; F318-I322 HydrophobicContact CZ-CG1 3.97Å; F318-I322 WeakPolarHBondContact O-CG1 3.43Å; F318-I322 PolarHBondContact O-N 2.87Å; F318-W393 HydrophobicContact CD1-CZ3 4.32Å; F318-W393 HydrophobicContact CE1-CE3 4.4Å; F318-W393 AromaticContact CE1-CZ3 3.82Å; F318-W393 HydrophobicContact CE1-CZ3 3.82Å; F318-F397 AromaticContact CD1-CD1 3.41Å; F318-F397 HydrophobicContact CD1-CD1 3.41Å; F318-F397 VanDerWaalsContact CD1-CD1 3.41Å; F318-F397 AromaticContact CD1-CE1 3.59Å; F318-F397 HydrophobicContact CD1-CE1 3.59Å; F318-F397 HydrophobicContact CD1-CG 4.22Å; F318-F397 HydrophobicContact CE1-CB 4.43Å; F318-F397 AromaticContact CE1-CD1 3.79Å; F318-F397 HydrophobicContact CE1-CD1 3.79Å; F318-F397 HydrophobicContact CE1-CE1 4.31Å; F318-F397 HydrophobicContact CE1-CG 4.15Å; F318-F397 HydrophobicContact CG-CD1 4.48Å; F318-I399 HydrophobicContact CZ-CD1 4.42Å |
| 319 | R | 96.9 | Very high | 97 | Very high | 45 Ų | 45 | 34.5 Ų | 34.5 | 17% | 0.17 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57 | -44.3 | 172 | -70.5 | -177.1 | 72.8 | 157.9 | 18.3 | 111.9 | E225 R315 D316 F321 I322 D323 F397 | E225-R319 VanDerWaalsContact N-NH1 3.18Å; E225-R319 PolarHBondContact O-NH2 2.85Å; R315-R319 WeakPolarHBondContact O-CG 3.28Å; R315-R319 PolarHBondContact O-N 2.87Å; D316-R319 PolarHBondContact O-N 3.23Å; R319-F321 VanDerWaalsContact C-N 3.27Å; R319-F321 PolarHBondContact O-N 3.01Å; R319-I322 PolarHBondContact O-N 3.4Å; R319-I322 VanDerWaalsContact O-N 3.16Å; R319-D323 PolarHBondContact O-N 2.92Å; R319-F397 HydrophobicContact CG-CD1 3.53Å; R319-F397 HydrophobicContact CG-CE1 3.64Å |
| 320 | Y | 98 | Very high | 97 | Very high | 97 Ų | 97 | 34.6 Ų | 34.6 | 38% | 0.38 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -58.5 | -39.6 | 175.5 | 178.7 | -89.7 | 0 | 0 | 0 | 112.3 | R266 A269 D316 D317 F318 A324 | R266-Y320 HydrophobicContact CG-CD1 4.07Å; R266-Y320 HydrophobicContact CG-CE1 4.45Å; A269-Y320 HydrophobicContact CB-CD1 4Å; A269-Y320 HydrophobicContact CB-CE1 3.78Å; D316-Y320 PolarHBondContact O-N 2.91Å; D317-Y320 WeakPolarHBondContact O-CB 3.37Å; D317-Y320 PolarHBondContact O-N 3.11Å; F318-Y320 VanDerWaalsContact C-N 3.3Å; F318-Y320 PolarHBondContact O-N 3.46Å; Y320-A324 WeakPolarHBondContact O-CB 3.24Å; Y320-A324 PolarHBondContact O-N 2.91Å |
| 321 | F | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.3 | -45.2 | 174.6 | 170.9 | -95.7 | 0 | 0 | 0 | 112.4 | L250 L268 A269 L272 V273 L284 L286 D317 F318 R319 A324 A325 | L250-F321 HydrophobicContact CD2-CZ 4.39Å; L268-F321 HydrophobicContact CB-CD2 3.86Å; L268-F321 HydrophobicContact CB-CE2 3.81Å; A269-F321 HydrophobicContact CB-CB 4.44Å; A269-F321 HydrophobicContact CB-CD2 4.07Å; L272-F321 HydrophobicContact CD2-CE2 4.12Å; L272-F321 HydrophobicContact CD2-CZ 3.99Å; V273-F321 HydrophobicContact CG2-CD2 4.3Å; V273-F321 HydrophobicContact CG2-CE2 3.83Å; V273-F321 HydrophobicContact CG2-CZ 4.35Å; L284-F321 HydrophobicContact CD1-CZ 4.18Å; L286-F321 HydrophobicContact CD1-CE1 4.02Å; L286-F321 HydrophobicContact CD2-CE1 4.24Å; L286-F321 HydrophobicContact CD2-CZ 4.41Å; D317-F321 PolarHBondContact O-N 3.29Å; F318-F321 HydrophobicContact CD2-CD1 4.24Å; F318-F321 HydrophobicContact CE2-CD1 4.08Å; F318-F321 WeakPolarHBondContact O-CB 3.45Å; F318-F321 PolarHBondContact O-N 2.82Å; F318-F321 VanDerWaalsContact O-N 3.07Å; R319-F321 VanDerWaalsContact C-N 3.27Å; R319-F321 PolarHBondContact O-N 3.01Å; F321-A324 PolarHBondContact O-N 2.92Å; F321-A325 PolarHBondContact O-N 3.27Å |
| 322 | I | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.3 | -45.8 | 177.2 | -58.1 | -61.1 | 0 | 0 | 0 | 111.2 | F318 R319 A324 A325 H326 V332 F397 I399 | F318-I322 HydrophobicContact CE1-CD1 4.44Å; F318-I322 HydrophobicContact CE1-CG1 4.23Å; F318-I322 HydrophobicContact CE2-CD1 3.86Å; F318-I322 HydrophobicContact CE2-CG1 4.13Å; F318-I322 HydrophobicContact CZ-CD1 3.73Å; F318-I322 HydrophobicContact CZ-CG1 3.97Å; F318-I322 WeakPolarHBondContact O-CG1 3.43Å; F318-I322 PolarHBondContact O-N 2.87Å; R319-I322 PolarHBondContact O-N 3.4Å; R319-I322 VanDerWaalsContact O-N 3.16Å; I322-A324 VanDerWaalsContact C-N 3.27Å; I322-A324 PolarHBondContact O-N 3.15Å; I322-A325 WeakPolarHBondContact O-CB 3.49Å; I322-A325 PolarHBondContact O-N 3.26Å; I322-A325 VanDerWaalsContact O-N 3.07Å; I322-H326 WeakPolarHBondContact CG2-CE1 3.22Å; I322-H326 PolarHBondContact O-N 3.23Å; I322-V332 HydrophobicContact CD1-CB 4.06Å; I322-V332 HydrophobicContact CD1-CG1 3.69Å; I322-V332 HydrophobicContact CD1-CG2 3.9Å; I322-V332 HydrophobicContact CG2-CG2 4.41Å; I322-F397 VanDerWaalsContact CG2-O 3.22Å; I322-F397 WeakPolarHBondContact CG2-O 3.43Å; I322-I399 HydrophobicContact CD1-CD1 3.81Å; I322-I399 HydrophobicContact CG1-CD1 4.41Å |
| 323 | D | 97.5 | Very high | 97.4 | Very high | 83 Ų | 83 | 30.1 Ų | 30.1 | 44% | 0.444 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -59.5 | -39.5 | 177 | -71.5 | -21 | 0 | 0 | 0 | 111.4 | R319 H326 A327 | R319-D323 PolarHBondContact O-N 2.92Å; D323-H326 PolarHBondContact O-N 2.81Å; D323-A327 VanDerWaalsContact O-CB 3.26Å; D323-A327 WeakPolarHBondContact O-CB 3.39Å; D323-A327 PolarHBondContact O-N 3.08Å |
| 324 | A | 98.5 | Very high | 97.5 | Very high | 25 Ų | 25 | 29.4 Ų | 29.4 | 21% | 0.207 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.7 | -41 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | A269 Y320 F321 I322 A327 A328 | A269-A324 HydrophobicContact CB-CB 3.84Å; Y320-A324 WeakPolarHBondContact O-CB 3.24Å; Y320-A324 PolarHBondContact O-N 2.91Å; F321-A324 PolarHBondContact O-N 2.92Å; I322-A324 VanDerWaalsContact C-N 3.27Å; I322-A324 PolarHBondContact O-N 3.15Å; A324-A327 PolarHBondContact O-N 2.89Å; A324-A328 VanDerWaalsContact O-CB 3.29Å; A324-A328 WeakPolarHBondContact O-CB 3.23Å; A324-A328 PolarHBondContact O-N 3.12Å |
| 325 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.4 | -48.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V273 L284 F321 I322 A327 A328 G329 L330 V332 | V273-A325 HydrophobicContact CG2-CB 4.06Å; L284-A325 HydrophobicContact CD1-CB 4.33Å; F321-A325 PolarHBondContact O-N 3.27Å; I322-A325 WeakPolarHBondContact O-CB 3.49Å; I322-A325 PolarHBondContact O-N 3.26Å; I322-A325 VanDerWaalsContact O-N 3.07Å; A325-A327 PolarHBondContact O-N 2.92Å; A325-A328 CarbonylContact O-C 3.43Å; A325-A328 WeakPolarHBondContact O-CA 3.33Å; A325-A328 WeakPolarHBondContact O-CB 3.44Å; A325-A328 PolarHBondContact O-N 2.92Å; A325-A328 VanDerWaalsContact O-N 3.08Å; A325-G329 PolarHBondContact O-N 3.4Å; A325-G329 VanDerWaalsContact O-N 3.15Å; A325-L330 CarbonylContact C-O 3.59Å; A325-L330 VanDerWaalsContact C-O 3.24Å; A325-L330 HydrophobicContact CB-CB 4.3Å; A325-L330 PolarHBondContact O-N 3.42Å; A325-L330 VanDerWaalsContact O-O 3.11Å; A325-V332 HydrophobicContact CB-CG2 3.73Å |
| 326 | H | 97.9 | Very high | 97.9 | Very high | 32 Ų | 32 | 26.9 Ų | 26.9 | 15% | 0.148 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63 | -43.5 | 177.3 | -65.4 | 153.2 | 0 | 0 | 0 | 112.3 | R233 I322 D323 A328 G329 L330 G398 D400 | R233-H326 PolarHBondContact NH1-CE1 3.08Å; R233-H326 VanDerWaalsContact NH1-CE1 3.26Å; R233-H326 PolarHBondContact NH1-ND1 2.92Å; R233-H326 PolarHBondContact NH2-CE1 2.8Å; R233-H326 VanDerWaalsContact NH2-CE1 3.35Å; R233-H326 PolarHBondContact NH2-NE2 3.25Å; I322-H326 WeakPolarHBondContact CG2-CE1 3.22Å; I322-H326 PolarHBondContact O-N 3.23Å; D323-H326 PolarHBondContact O-N 2.81Å; H326-A328 PolarHBondContact O-N 3.33Å; H326-G329 WeakPolarHBondContact O-CA 3.33Å; H326-G329 PolarHBondContact O-N 2.76Å; H326-L330 PolarHBondContact CD2-O 3.48Å; H326-L330 PolarHBondContact N-O 3.48Å; H326-G398 PolarHBondContact CE1-O 2.78Å; H326-G398 PolarHBondContact NE2-O 2.78Å; H326-D400 IonicContact CD2-OD2 2.78Å; H326-D400 PolarHBondContact CD2-OD2 2.77Å; H326-D400 IonicContact CE1-OD2 3.75Å; H326-D400 IonicContact NE2-OD1 2.79Å; H326-D400 IonicContact NE2-OD2 3.35Å; H326-D400 PolarHBondContact NE2-OD2 3.5Å |
| 327 | A | 97.2 | Very high | 98 | Very high | 87 Ų | 87 | 23.4 Ų | 23.4 | 72% | 0.719 | 14% | 0.142 | S | C | * | . | H | α-helix | trans | -62.4 | -28.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D323 A324 A325 G329 | D323-A327 VanDerWaalsContact O-CB 3.26Å; D323-A327 WeakPolarHBondContact O-CB 3.39Å; D323-A327 PolarHBondContact O-N 3.08Å; A324-A327 PolarHBondContact O-N 2.89Å; A325-A327 PolarHBondContact O-N 2.92Å; A327-G329 VanDerWaalsContact C-N 3.29Å |
| 328 | A | 97.6 | Very high | 98 | Very high | 16 Ų | 16 | 22 Ų | 22 | 13% | 0.132 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -75.9 | -14.9 | 173 | 0 | 0 | 0 | 0 | 0 | 113.5 | V273 K277 A324 A325 H326 L330 | V273-A328 HydrophobicContact CG1-CB 3.37Å; K277-A328 HydrophobicContact CD-CB 4.02Å; K277-A328 WeakPolarHBondContact CD-O 3.47Å; K277-A328 VanDerWaalsContact CE-O 3.28Å; K277-A328 WeakPolarHBondContact CE-O 3.28Å; K277-A328 PolarHBondContact NZ-O 2.76Å; A324-A328 VanDerWaalsContact O-CB 3.29Å; A324-A328 WeakPolarHBondContact O-CB 3.23Å; A324-A328 PolarHBondContact O-N 3.12Å; A325-A328 CarbonylContact O-C 3.43Å; A325-A328 WeakPolarHBondContact O-CA 3.33Å; A325-A328 WeakPolarHBondContact O-CB 3.44Å; A325-A328 PolarHBondContact O-N 2.92Å; A325-A328 VanDerWaalsContact O-N 3.08Å; H326-A328 PolarHBondContact O-N 3.33Å; A328-L330 HydrophobicContact CB-CD1 4.49Å |
| 329 | G | 96.2 | Very high | 97.8 | Very high | 46 Ų | 46 | 22.2 Ų | 22.2 | 47% | 0.474 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | 23 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A325 H326 A327 | A325-G329 PolarHBondContact O-N 3.4Å; A325-G329 VanDerWaalsContact O-N 3.15Å; H326-G329 WeakPolarHBondContact O-CA 3.33Å; H326-G329 PolarHBondContact O-N 2.76Å; A327-G329 VanDerWaalsContact C-N 3.29Å |
| 330 | L | 98.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | trans | -102 | 129.5 | 172.3 | -64.9 | 168.9 | 0 | 0 | 0 | 108.6 | V273 A276 K277 F281 L284 A325 H326 A328 | V273-L330 HydrophobicContact CG1-CD1 4.24Å; A276-L330 HydrophobicContact CB-CD1 3.79Å; K277-L330 HydrophobicContact CB-CD1 4.4Å; F281-L330 VanDerWaalsContact O-CD2 3.23Å; F281-L330 WeakPolarHBondContact O-CD2 3.39Å; L284-L330 HydrophobicContact CD1-CD1 4.05Å; L284-L330 HydrophobicContact CG-CD1 4.16Å; A325-L330 CarbonylContact C-O 3.59Å; A325-L330 VanDerWaalsContact C-O 3.24Å; A325-L330 HydrophobicContact CB-CB 4.3Å; A325-L330 PolarHBondContact O-N 3.42Å; A325-L330 VanDerWaalsContact O-O 3.11Å; H326-L330 PolarHBondContact CD2-O 3.48Å; H326-L330 PolarHBondContact N-O 3.48Å; A328-L330 HydrophobicContact CB-CD1 4.49Å | ||
| 331 | N | 98.2 | Very high | 97.7 | Very high | 11 Ų | 11 | 16.2 Ų | 16.2 | 6% | 0.059 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 156.9 | 168.1 | -54.4 | -65.8 | 0 | 0 | 0 | 109.5 | A236 T282 H283 L284 D400 | A236-N331 WeakPolarHBondContact CB-ND2 3.32Å; T282-N331 PolarHBondContact O-N 2.75Å; H283-N331 CarbonylContact C-O 3.56Å; H283-N331 VanDerWaalsContact CA-O 3.23Å; H283-N331 WeakPolarHBondContact CA-O 3.48Å; H283-N331 VanDerWaalsContact CD2-CB 3.46Å; H283-N331 WeakPolarHBondContact CD2-CB 3.2Å; H283-N331 PolarHBondContact NE2-ND2 2.67Å; L284-N331 PolarHBondContact N-O 3.5Å; N331-D400 VanDerWaalsContact CA-OD2 3.28Å; N331-D400 WeakPolarHBondContact CA-OD2 3.44Å; N331-D400 HydrophobicContact CB-CB 3.83Å; N331-D400 WeakPolarHBondContact CB-OD2 3.36Å |
| 332 | V | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 123.9 | -175 | -172.2 | 0 | 0 | 0 | 0 | 110.8 | L284 L286 I322 A325 I399 D400 A401 | L284-V332 CarbonylContact O-C 3.47Å; L284-V332 WeakPolarHBondContact O-CA 3.49Å; L286-V332 HydrophobicContact CD1-CG1 3.84Å; L286-V332 HydrophobicContact CG-CG1 3.99Å; I322-V332 HydrophobicContact CD1-CB 4.06Å; I322-V332 HydrophobicContact CD1-CG1 3.69Å; I322-V332 HydrophobicContact CD1-CG2 3.9Å; I322-V332 HydrophobicContact CG2-CG2 4.41Å; A325-V332 HydrophobicContact CB-CG2 3.73Å; V332-I399 HydrophobicContact CB-CD1 4.38Å; V332-I399 HydrophobicContact CG1-CD1 3.99Å; V332-D400 PolarHBondContact N-OD2 2.83Å; V332-D400 WeakPolarHBondContact O-CB 3.32Å; V332-D400 PolarHBondContact O-N 3.38Å; V332-A401 PolarHBondContact O-N 2.89Å |
| 333 | I | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 137.8 | 171.8 | -46.5 | -179.5 | 0 | 0 | 0 | 107.5 | I245 H283 L284 E285 L286 A401 R403 M456 | I245-I333 HydrophobicContact CD1-CD1 3.6Å; I245-I333 HydrophobicContact CG1-CD1 3.73Å; I245-I333 HydrophobicContact CG2-CD1 4.17Å; H283-I333 HydrophobicContact CB-CD1 4.04Å; H283-I333 HydrophobicContact CB-CG1 4.27Å; L284-I333 PolarHBondContact O-N 3.07Å; E285-I333 WeakPolarHBondContact CA-O 3.25Å; E285-I333 HydrophobicContact CB-CB 3.94Å; E285-I333 HydrophobicContact CB-CD1 4.49Å; E285-I333 HydrophobicContact CB-CG2 4.42Å; E285-I333 HydrophobicContact CG-CB 3.99Å; E285-I333 HydrophobicContact CG-CG2 3.94Å; L286-I333 PolarHBondContact N-O 3.44Å; I333-A401 CarbonylContact C-O 3.6Å; I333-A401 VanDerWaalsContact CA-O 3.29Å; I333-A401 WeakPolarHBondContact CA-O 3.42Å; I333-A401 HydrophobicContact CB-CB 4.37Å; I333-A401 HydrophobicContact CG1-CB 4.04Å; I333-A401 HydrophobicContact CG2-CB 4.07Å; I333-R403 HydrophobicContact CG2-CB 4.04Å; I333-M456 HydrophobicContact CD1-CE 3.59Å; I333-M456 HydrophobicContact CD1-SD 4.02Å |
| 334 | L | 98.7 | Very high | 97.4 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 125.9 | 175.7 | 174.8 | 57.1 | 0 | 0 | 0 | 110.3 | L286 I289 W336 W393 I399 A401 L402 R403 | L286-L334 HydrophobicContact CB-CD1 4.39Å; I289-L334 HydrophobicContact CD1-CD1 3.96Å; I289-L334 HydrophobicContact CD1-CD2 3.93Å; I289-L334 HydrophobicContact CG1-CD1 3.58Å; I289-L334 HydrophobicContact CG1-CD2 4.4Å; L334-W336 PolarHBondContact O-N 3.06Å; L334-W336 VanDerWaalsContact O-N 3.15Å; L334-W393 HydrophobicContact CD2-CB 4.15Å; L334-W393 HydrophobicContact CD2-CD2 3.56Å; L334-W393 HydrophobicContact CD2-CE3 3.9Å; L334-W393 HydrophobicContact CD2-CG 3.67Å; L334-I399 HydrophobicContact CB-CD1 4.37Å; L334-I399 HydrophobicContact CB-CG1 4.44Å; L334-I399 HydrophobicContact CB-CG2 3.82Å; L334-I399 HydrophobicContact CD2-CG1 4.39Å; L334-A401 PolarHBondContact N-O 3.17Å; L334-L402 HydrophobicContact CB-CD2 4.05Å; L334-L402 HydrophobicContact CD2-CD2 4.5Å; L334-L402 HydrophobicContact CG-CD2 4.5Å; L334-L402 CarbonylContact O-C 3.55Å; L334-L402 WeakPolarHBondContact O-CA 3.21Å; L334-R403 PolarHBondContact O-N 2.68Å |
| 335 | D | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 114.5 | 164.6 | -84.1 | 29 | 0 | 0 | 0 | 109.5 | L286 P288 Y300 R403 | L286-D335 WeakPolarHBondContact O-CB 3.33Å; L286-D335 PolarHBondContact O-N 3.35Å; P288-D335 HydrophobicContact CG-CB 3.78Å; Y300-D335 HydrophobicContact CE1-CB 4.35Å; Y300-D335 PolarHBondContact OH-OD2 2.82Å; D335-R403 CarbonylContact C-O 3.52Å; D335-R403 WeakPolarHBondContact CA-O 3.5Å; D335-R403 WeakPolarHBondContact OD1-CD 3.4Å; D335-R403 IonicContact OD2-CZ 3.03Å; D335-R403 IonicContact OD2-NH1 2.75Å; D335-R403 PolarHBondContact OD2-NH1 3.49Å |
| 336 | W | 98.2 | Very high | 97.1 | Very high | 8 Ų | 8 | 22.3 Ų | 22.3 | 3% | 0.03 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 133.8 | -179.9 | -177.5 | 52.7 | 0 | 0 | 0 | 108.9 | L334 P338 L386 N389 A390 L402 R403 V404 F438 T442 | L334-W336 PolarHBondContact O-N 3.06Å; L334-W336 VanDerWaalsContact O-N 3.15Å; W336-P338 HydrophobicContact CD2-CB 4.23Å; W336-P338 HydrophobicContact CD2-CG 4.05Å; W336-P338 HydrophobicContact CE3-CB 4.15Å; W336-P338 HydrophobicContact CE3-CG 3.69Å; W336-P338 HydrophobicContact CH2-CB 3.68Å; W336-P338 HydrophobicContact CH2-CG 4.04Å; W336-P338 HydrophobicContact CZ2-CB 3.74Å; W336-P338 HydrophobicContact CZ2-CG 4.35Å; W336-P338 HydrophobicContact CZ3-CB 3.88Å; W336-P338 HydrophobicContact CZ3-CG 3.68Å; W336-P338 WeakPolarHBondContact O-CD 3.46Å; W336-L386 HydrophobicContact CZ2-CB 4.24Å; W336-L386 VanDerWaalsContact CZ2-O 3.28Å; W336-L386 WeakPolarHBondContact CZ2-O 3.46Å; W336-N389 PolarHBondContact NE1-OD1 3.3Å; W336-A390 HydrophobicContact CH2-CB 4.01Å; W336-A390 HydrophobicContact CZ2-CB 3.93Å; W336-A390 HydrophobicContact CZ3-CB 4.36Å; W336-L402 HydrophobicContact CB-CB 4.19Å; W336-L402 HydrophobicContact CB-CD2 4.32Å; W336-L402 HydrophobicContact CD2-CD1 4.34Å; W336-L402 HydrophobicContact CE3-CD1 4.38Å; W336-L402 HydrophobicContact CG-CD1 4.39Å; W336-R403 PolarHBondContact N-O 3.01Å; W336-V404 HydrophobicContact CE3-CG2 3.68Å; W336-V404 HydrophobicContact CZ3-CG2 4.23Å; W336-F438 HydrophobicContact CH2-CE1 4.4Å; W336-F438 HydrophobicContact CH2-CE2 4.44Å; W336-F438 AromaticContact CH2-CZ 3.63Å; W336-F438 HydrophobicContact CH2-CZ 3.63Å; W336-F438 HydrophobicContact CZ2-CZ 4.38Å; W336-F438 HydrophobicContact CZ3-CZ 4.41Å; W336-T442 HydrophobicContact CH2-CG2 3.93Å; W336-T442 HydrophobicContact CZ3-CG2 4Å |
| 337 | V | 97.2 | Very high | 97 | Very high | 6 Ų | 6 | 21 Ų | 21 | 4% | 0.036 | 14% | 0.139 | C | C | . | . | trans | -116.1 | 72.2 | -169 | -167 | 0 | 0 | 0 | 0 | 110.7 | P288 Y300 P302 G339 | P288-V337 HydrophobicContact CB-CG2 3.78Å; P288-V337 HydrophobicContact CG-CG2 3.49Å; P288-V337 VanDerWaalsContact CG-CG2 3.49Å; Y300-V337 HydrophobicContact CD1-CG2 3.95Å; P302-V337 HydrophobicContact CG-CB 4.15Å; P302-V337 HydrophobicContact CG-CG1 4.16Å; V337-G339 VanDerWaalsContact C-N 3.33Å | ||
| 338 | P | 97.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.006 | 11% | 0.106 | C | C | . | . | trans | -85.8 | -4.3 | 176.7 | 37.1 | -38.3 | 0 | 0 | 0 | 113.4 | W336 Y375 Y377 V404 M410 F438 | W336-P338 HydrophobicContact CD2-CB 4.23Å; W336-P338 HydrophobicContact CD2-CG 4.05Å; W336-P338 HydrophobicContact CE3-CB 4.15Å; W336-P338 HydrophobicContact CE3-CG 3.69Å; W336-P338 HydrophobicContact CH2-CB 3.68Å; W336-P338 HydrophobicContact CH2-CG 4.04Å; W336-P338 HydrophobicContact CZ2-CB 3.74Å; W336-P338 HydrophobicContact CZ2-CG 4.35Å; W336-P338 HydrophobicContact CZ3-CB 3.88Å; W336-P338 HydrophobicContact CZ3-CG 3.68Å; W336-P338 WeakPolarHBondContact O-CD 3.46Å; P338-Y375 WeakPolarHBondContact O-CD2 3.38Å; P338-Y377 PolarHBondContact O-OH 3.08Å; P338-Y377 VanDerWaalsContact O-OH 3.14Å; P338-V404 HydrophobicContact CG-CG1 3.82Å; P338-V404 HydrophobicContact CG-CG2 4.26Å; P338-M410 HydrophobicContact CB-CE 4.3Å; P338-M410 HydrophobicContact CG-CE 4.02Å; P338-M410 HydrophobicContact CG-SD 4.11Å; P338-F438 HydrophobicContact CB-CE1 3.93Å; P338-F438 HydrophobicContact CB-CZ 3.97Å; P338-F438 HydrophobicContact CG-CE1 4.48Å | ||
| 339 | G | 94.5 | Very high | 97 | Very high | 4 Ų | 4 | 16.8 Ų | 16.8 | 4% | 0.041 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -77.4 | -34.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | V337 Y377 | V337-G339 VanDerWaalsContact C-N 3.33Å; G339-Y377 WeakPolarHBondContact CA-OH 3.38Å; G339-Y377 PolarHBondContact O-OH 3.03Å |
| 340 | H | 96.5 | Very high | 97 | Very high | 14 Ų | 14 | 18.7 Ų | 18.7 | 7% | 0.065 | 10% | 0.1 | C | C | . | . | trans | -163.7 | 170.6 | -175.8 | 69.4 | 94 | 0 | 0 | 0 | 112.4 | Y300 W370 T372 L373 | Y300-H340 PolarHBondContact O-CE1 3.22Å; Y300-H340 PolarHBondContact O-NE2 2.63Å; H340-W370 AromaticContact CD2-CE3 3.87Å; H340-W370 AromaticContact CD2-CZ3 3.71Å; H340-W370 AromaticContact NE2-CE3 3.91Å; H340-W370 AromaticContact NE2-CZ3 3.95Å; H340-T372 WeakPolarHBondContact ND1-CB 3.46Å; H340-T372 WeakPolarHBondContact ND1-CG2 3.29Å; H340-T372 PolarHBondContact ND1-OG1 3.45Å; H340-L373 CarbonylContact C-O 3.54Å; H340-L373 WeakPolarHBondContact CA-O 3.11Å; H340-L373 WeakPolarHBondContact CB-O 3.47Å | ||
| 341 | F | 97 | Very high | 97 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.009 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 156.4 | 173.8 | 61.2 | -85.3 | 0 | 0 | 0 | 110.9 | L348 E358 T372 L373 Y375 | F341-L348 HydrophobicContact CD2-CB 3.78Å; F341-L348 HydrophobicContact CD2-CD1 4.44Å; F341-L348 HydrophobicContact CE2-CB 3.57Å; F341-L348 HydrophobicContact CG-CD1 4.4Å; F341-L348 HydrophobicContact CZ-CB 4.15Å; F341-E358 HydrophobicContact CE1-CB 4.2Å; F341-E358 HydrophobicContact CZ-CB 3.69Å; F341-T372 WeakPolarHBondContact O-CB 3.04Å; F341-L373 HydrophobicContact CD1-CB 4.39Å; F341-L373 HydrophobicContact CD2-CB 4.15Å; F341-L373 HydrophobicContact CD2-CD1 4.32Å; F341-L373 HydrophobicContact CE1-CB 4.08Å; F341-L373 HydrophobicContact CE2-CB 3.8Å; F341-L373 HydrophobicContact CE2-CD1 3.63Å; F341-L373 HydrophobicContact CE2-CG 4.36Å; F341-L373 HydrophobicContact CG-CB 4.46Å; F341-L373 HydrophobicContact CZ-CB 3.81Å; F341-L373 HydrophobicContact CZ-CD1 4.16Å; F341-L373 PolarHBondContact N-O 3.4Å; F341-L373 PolarHBondContact O-N 3.03Å; F341-Y375 HydrophobicContact CB-CE2 4.39Å; F341-Y375 AromaticContact CD1-CD1 3.64Å; F341-Y375 HydrophobicContact CD1-CD1 3.64Å; F341-Y375 AromaticContact CD1-CD2 3.95Å; F341-Y375 HydrophobicContact CD1-CD2 3.95Å; F341-Y375 AromaticContact CD1-CE1 3.33Å; F341-Y375 HydrophobicContact CD1-CE1 3.33Å; F341-Y375 AromaticContact CD1-CE2 3.68Å; F341-Y375 HydrophobicContact CD1-CE2 3.68Å; F341-Y375 AromaticContact CD1-CG 3.94Å; F341-Y375 HydrophobicContact CD1-CG 3.94Å; F341-Y375 AromaticContact CD1-CZ 3.36Å; F341-Y375 AromaticContact CE1-CD1 3.52Å; F341-Y375 HydrophobicContact CE1-CD1 3.52Å; F341-Y375 HydrophobicContact CE1-CD2 4.42Å; F341-Y375 AromaticContact CE1-CE1 3.6Å; F341-Y375 HydrophobicContact CE1-CE1 3.6Å; F341-Y375 AromaticContact CE1-CG 3.96Å; F341-Y375 HydrophobicContact CE1-CG 3.96Å; F341-Y375 HydrophobicContact CG-CE1 4.18Å |
| 342 | P | 96.5 | Very high | 97 | Very high | 6 Ų | 6 | 18 Ų | 18 | 4% | 0.039 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 169 | -174.9 | 35.3 | -36 | 0 | 0 | 0 | 112.5 | Q301 P302 T303 D344 | Q301-P342 HydrophobicContact CB-CB 4.21Å; Q301-P342 HydrophobicContact CB-CG 4.19Å; P302-P342 WeakPolarHBondContact O-CD 3.35Å; T303-P342 HydrophobicContact CG2-CG 3.7Å; P342-D344 VanDerWaalsContact CB-OD2 3.23Å; P342-D344 WeakPolarHBondContact CB-OD2 3.5Å; P342-D344 VanDerWaalsContact CG-OD2 3.27Å; P342-D344 WeakPolarHBondContact CG-OD2 3.44Å; P342-D344 PolarHBondContact O-N 3.45Å |
| 343 | T | 95.7 | Very high | 96.9 | Very high | 63 Ų | 63 | 18.3 Ų | 18.3 | 39% | 0.387 | 10% | 0.099 | S | C | . | . | trans | -84 | 13.8 | -176.5 | 49.2 | 0 | 0 | 0 | 0 | 114.1 | D345 Y366 L373 | T343-D345 PolarHBondContact O-N 2.88Å; T343-Y366 HydrophobicContact CG2-CE2 4.45Å; T343-L373 HydrophobicContact CG2-CD1 4.19Å; T343-L373 HydrophobicContact CG2-CD2 4.43Å; T343-L373 HydrophobicContact CG2-CG 3.91Å | ||
| 344 | D | 95.8 | Very high | 96.8 | Very high | 49 Ų | 49 | 20.3 Ų | 20.3 | 26% | 0.262 | 11% | 0.111 | S | C | . | . | trans | -59.3 | 117.1 | -179.9 | -68.8 | -100.3 | 0 | 0 | 0 | 112.8 | T303 P342 F346 A347 | T303-D344 HydrophobicContact CG2-CB 4.24Å; P342-D344 VanDerWaalsContact CB-OD2 3.23Å; P342-D344 WeakPolarHBondContact CB-OD2 3.5Å; P342-D344 VanDerWaalsContact CG-OD2 3.27Å; P342-D344 WeakPolarHBondContact CG-OD2 3.44Å; P342-D344 PolarHBondContact O-N 3.45Å; D344-F346 HydrophobicContact CB-CD1 3.99Å; D344-F346 HydrophobicContact CB-CE1 3.53Å; D344-F346 HydrophobicContact CB-CE2 4.49Å; D344-F346 HydrophobicContact CB-CZ 3.79Å; D344-F346 PolarHBondContact O-N 3.28Å; D344-F346 VanDerWaalsContact O-N 3.13Å; D344-F346 VanDerWaalsContact OD1-CE1 3.24Å; D344-F346 WeakPolarHBondContact OD1-CE1 3.41Å; D344-A347 HydrophobicContact CB-CB 4.44Å; D344-A347 PolarHBondContact O-N 3.35Å | ||
| 345 | D | 94.3 | Very high | 96.7 | Very high | 75 Ų | 75 | 23 Ų | 23 | 40% | 0.401 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -28.3 | -175.4 | -174.6 | 66.2 | 0 | 0 | 0 | 113.8 | R200 K202 T343 A347 | R200-D345 IonicContact CZ-OD1 3.9Å; R200-D345 IonicContact NH1-OD1 3.9Å; R200-D345 PolarHBondContact NH1-OD1 3.37Å; R200-D345 IonicContact NH1-OD2 2.72Å; R200-D345 PolarHBondContact NH1-OD2 3.22Å; K202-D345 VanDerWaalsContact CD-O 3.3Å; K202-D345 WeakPolarHBondContact CD-O 3.4Å; K202-D345 WeakPolarHBondContact CE-O 3.28Å; K202-D345 PolarHBondContact NZ-O 2.9Å; T343-D345 PolarHBondContact O-N 2.88Å; D345-A347 PolarHBondContact O-N 3.46Å |
| 346 | F | 96 | Very high | 96.6 | Very high | 43 Ų | 43 | 23 Ų | 23 | 19% | 0.189 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -6.8 | 179.5 | 66.4 | -98.4 | 0 | 0 | 0 | 113.4 | S203 T216 P293 T303 D344 | S203-F346 PolarHBondContact N-O 2.89Å; S203-F346 WeakPolarHBondContact OG-CD2 3.34Å; S203-F346 PolarHBondContact OG-O 3.17Å; T216-F346 HydrophobicContact CG2-CD1 3.81Å; T216-F346 HydrophobicContact CG2-CD2 3.43Å; T216-F346 VanDerWaalsContact CG2-CD2 3.43Å; T216-F346 HydrophobicContact CG2-CE1 3.77Å; T216-F346 HydrophobicContact CG2-CE2 3.41Å; T216-F346 VanDerWaalsContact CG2-CE2 3.41Å; T216-F346 HydrophobicContact CG2-CG 3.64Å; T216-F346 HydrophobicContact CG2-CZ 3.6Å; P293-F346 HydrophobicContact CB-CZ 4.09Å; T303-F346 HydrophobicContact CG2-CE2 4.04Å; T303-F346 HydrophobicContact CG2-CZ 4.05Å; D344-F346 HydrophobicContact CB-CD1 3.99Å; D344-F346 HydrophobicContact CB-CE1 3.53Å; D344-F346 HydrophobicContact CB-CE2 4.49Å; D344-F346 HydrophobicContact CB-CZ 3.79Å; D344-F346 PolarHBondContact O-N 3.28Å; D344-F346 VanDerWaalsContact O-N 3.13Å; D344-F346 VanDerWaalsContact OD1-CE1 3.24Å; D344-F346 WeakPolarHBondContact OD1-CE1 3.41Å |
| 347 | A | 96.6 | Very high | 96.6 | Very high | 4 Ų | 4 | 22.7 Ų | 22.7 | 3% | 0.033 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | -138.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | K202 T303 D344 D345 F351 | K202-A347 WeakPolarHBondContact CD-O 3.37Å; K202-A347 PolarHBondContact NZ-O 3.16Å; T303-A347 HydrophobicContact CG2-CB 3.74Å; D344-A347 HydrophobicContact CB-CB 4.44Å; D344-A347 PolarHBondContact O-N 3.35Å; D345-A347 PolarHBondContact O-N 3.46Å; A347-F351 WeakPolarHBondContact O-CD2 3.5Å |
| 348 | L | 97.8 | Very high | 96.6 | Very high | 6 Ų | 6 | 22.5 Ų | 22.5 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -22.3 | -167.7 | -58.1 | -177.3 | 0 | 0 | 0 | 115.4 | P205 F341 E350 F351 Y357 Y375 F385 | P205-L348 HydrophobicContact CB-CD2 3.82Å; P205-L348 HydrophobicContact CG-CD2 3.81Å; F341-L348 HydrophobicContact CD2-CB 3.78Å; F341-L348 HydrophobicContact CD2-CD1 4.44Å; F341-L348 HydrophobicContact CE2-CB 3.57Å; F341-L348 HydrophobicContact CG-CD1 4.4Å; F341-L348 HydrophobicContact CZ-CB 4.15Å; L348-E350 PolarHBondContact O-N 3.42Å; L348-F351 HydrophobicContact CD2-CD2 4.44Å; L348-F351 WeakPolarHBondContact O-CB 3.29Å; L348-F351 PolarHBondContact O-N 3.21Å; L348-Y357 HydrophobicContact CB-CD2 4.08Å; L348-Y357 HydrophobicContact CB-CG 4.23Å; L348-Y357 HydrophobicContact CD1-CD1 4.34Å; L348-Y357 HydrophobicContact CD1-CG 4.35Å; L348-Y357 HydrophobicContact CD2-CD1 4.49Å; L348-Y357 HydrophobicContact CD2-CD2 3.96Å; L348-Y357 HydrophobicContact CD2-CE1 4.33Å; L348-Y357 HydrophobicContact CD2-CE2 3.79Å; L348-Y357 HydrophobicContact CD2-CG 4.32Å; L348-Y357 HydrophobicContact CG-CD2 4.47Å; L348-Y375 HydrophobicContact CD1-CE1 3.93Å; L348-F385 HydrophobicContact CD1-CE1 4.1Å; L348-F385 HydrophobicContact CD1-CZ 4.19Å |
| 349 | A | 96.6 | Very high | 96.5 | Very high | 9 Ų | 9 | 24.4 Ų | 24.4 | 7% | 0.074 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 129.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K202 F351 L373 | K202-A349 PolarHBondContact NZ-O 2.89Å; A349-F351 PolarHBondContact O-N 3.08Å; A349-F351 VanDerWaalsContact O-N 3.12Å; A349-L373 HydrophobicContact CB-CD1 3.55Å |
| 350 | E | 96.5 | Very high | 96.5 | Very high | 86 Ų | 86 | 28 Ų | 28 | 40% | 0.402 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46 | 42.2 | -177.8 | -58.9 | -173.3 | 135.6 | 0 | 0 | 113.1 | R200 L348 D352 G353 T354 E358 | R200-E350 IonicContact NH2-OE2 3.65Å; R200-E350 PolarHBondContact NH2-OE2 3.36Å; L348-E350 PolarHBondContact O-N 3.42Å; E350-D352 VanDerWaalsContact C-N 3.3Å; E350-D352 PolarHBondContact O-N 3.49Å; E350-D352 VanDerWaalsContact O-N 3.08Å; E350-G353 PolarHBondContact O-N 3.17Å; E350-T354 CarbonylContact C-O 3.53Å; E350-T354 VanDerWaalsContact CA-O 3.27Å; E350-T354 WeakPolarHBondContact CA-O 3.39Å; E350-E358 PolarHBondContact N-OE1 2.94Å |
| 351 | F | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | -47.1 | -161.3 | -169.8 | -101.9 | 0 | 0 | 0 | 114 | V142 W143 A144 M192 K202 P205 A347 L348 A349 L356 Y357 | V142-F351 HydrophobicContact CG2-CE1 3.69Å; V142-F351 HydrophobicContact CG2-CZ 3.75Å; W143-F351 WeakPolarHBondContact O-CE1 3.44Å; A144-F351 HydrophobicContact CB-CD1 4.38Å; A144-F351 HydrophobicContact CB-CE1 4.27Å; M192-F351 HydrophobicContact CE-CE1 3.97Å; M192-F351 HydrophobicContact CE-CZ 4.11Å; K202-F351 HydrophobicContact CB-CD2 4.39Å; K202-F351 HydrophobicContact CB-CE2 3.75Å; K202-F351 HydrophobicContact CB-CZ 4.14Å; K202-F351 HydrophobicContact CD-CD2 4.21Å; K202-F351 HydrophobicContact CD-CE2 4.39Å; K202-F351 VanDerWaalsContact CE-O 3.29Å; K202-F351 WeakPolarHBondContact CE-O 3.46Å; K202-F351 HydrophobicContact CG-CD2 4.18Å; K202-F351 HydrophobicContact CG-CE2 4.02Å; K202-F351 HydrophobicContact CG-CZ 4.5Å; P205-F351 HydrophobicContact CG-CD2 4.37Å; P205-F351 HydrophobicContact CG-CE1 4.36Å; P205-F351 HydrophobicContact CG-CE2 3.54Å; P205-F351 HydrophobicContact CG-CZ 3.54Å; A347-F351 WeakPolarHBondContact O-CD2 3.5Å; L348-F351 HydrophobicContact CD2-CD2 4.44Å; L348-F351 WeakPolarHBondContact O-CB 3.29Å; L348-F351 PolarHBondContact O-N 3.21Å; A349-F351 PolarHBondContact O-N 3.08Å; A349-F351 VanDerWaalsContact O-N 3.12Å; F351-L356 HydrophobicContact CB-CB 4.22Å; F351-L356 HydrophobicContact CB-CD2 3.89Å; F351-L356 HydrophobicContact CD1-CD2 3.81Å; F351-L356 HydrophobicContact CG-CD2 4.26Å; F351-Y357 HydrophobicContact CB-CD2 3.92Å; F351-Y357 HydrophobicContact CB-CE2 3.99Å; F351-Y357 HydrophobicContact CD1-CE2 4.17Å; F351-Y357 HydrophobicContact CD2-CE2 4.21Å; F351-Y357 HydrophobicContact CG-CD2 4.29Å; F351-Y357 AromaticContact CG-CE2 3.87Å; F351-Y357 HydrophobicContact CG-CE2 3.87Å |
| 352 | D | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 19.1 | 178.9 | 70.9 | -3.9 | 0 | 0 | 0 | 113.3 | A144 P145 N146 A147 D194 A195 E350 T354 L356 | A144-D352 HydrophobicContact CB-CB 3.97Å; P145-D352 WeakPolarHBondContact CD-OD2 3.44Å; N146-D352 VanDerWaalsContact CB-OD2 3.27Å; N146-D352 WeakPolarHBondContact CB-OD2 3.42Å; N146-D352 PolarHBondContact N-OD2 3.31Å; N146-D352 PolarHBondContact ND2-OD2 3.22Å; A147-D352 HydrophobicContact CB-CB 4.19Å; D194-D352 WeakPolarHBondContact CA-O 3.37Å; D194-D352 WeakPolarHBondContact CB-O 3.38Å; A195-D352 PolarHBondContact N-O 3.32Å; E350-D352 VanDerWaalsContact C-N 3.3Å; E350-D352 PolarHBondContact O-N 3.49Å; E350-D352 VanDerWaalsContact O-N 3.08Å; D352-T354 VanDerWaalsContact C-N 3.32Å; D352-T354 WeakPolarHBondContact OD1-CB 3.49Å; D352-T354 PolarHBondContact OD1-N 3.34Å; D352-T354 VanDerWaalsContact OD1-N 3.15Å; D352-T354 PolarHBondContact OD1-OG1 2.89Å; D352-L356 HydrophobicContact CB-CD2 4.33Å |
| 353 | G | 96.4 | Very high | 95.5 | Very high | 6 Ų | 6 | 38.2 Ų | 38.2 | 6% | 0.062 | 21% | 0.208 | C | C | . | . | S | Bend | trans | 85.8 | 2.1 | -175 | 0 | 0 | 0 | 0 | 0 | 114.2 | N196 E350 | N196-G353 PolarHBondContact ND2-O 2.74Å; E350-G353 PolarHBondContact O-N 3.17Å |
| 354 | T | 97 | Very high | 95.2 | Very high | 41 Ų | 41 | 36.6 Ų | 36.6 | 25% | 0.252 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -118.9 | 165.5 | 168.7 | 73.8 | 0 | 0 | 0 | 0 | 109.9 | N146 A195 E350 D352 L356 | N146-T354 HydrophobicContact CB-CG2 3.76Å; N146-T354 PolarHBondContact ND2-OG1 3.49Å; N146-T354 VanDerWaalsContact ND2-OG1 3.16Å; A195-T354 HydrophobicContact CB-CG2 3.84Å; E350-T354 CarbonylContact C-O 3.53Å; E350-T354 VanDerWaalsContact CA-O 3.27Å; E350-T354 WeakPolarHBondContact CA-O 3.39Å; D352-T354 VanDerWaalsContact C-N 3.32Å; D352-T354 WeakPolarHBondContact OD1-CB 3.49Å; D352-T354 PolarHBondContact OD1-N 3.34Å; D352-T354 VanDerWaalsContact OD1-N 3.15Å; D352-T354 PolarHBondContact OD1-OG1 2.89Å; T354-L356 PolarHBondContact O-N 3.27Å |
| 355 | N | 96.7 | Very high | 95 | Very high | 59 Ų | 59 | 34.3 Ų | 34.3 | 32% | 0.316 | 18% | 0.184 | S | C | . | . | trans | -69.9 | 82.1 | 168.2 | -60.7 | 112.7 | 0 | 0 | 0 | 109.9 | E358 | N355-E358 CarbonylContact C-O 3.55Å; N355-E358 WeakPolarHBondContact CA-OE1 3.46Å; N355-E358 HydrophobicContact CB-CG 3.83Å; N355-E358 WeakPolarHBondContact ND2-CG 3.29Å; N355-E358 PolarHBondContact ND2-OE1 3.45Å | ||
| 356 | L | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -84.2 | -56.2 | -169.5 | -176.6 | 65.8 | 0 | 0 | 0 | 111.2 | W143 P145 F351 D352 T354 R379 | W143-L356 HydrophobicContact CD2-CD1 4.39Å; W143-L356 HydrophobicContact CD2-CD2 4.35Å; W143-L356 HydrophobicContact CE3-CD1 4.17Å; W143-L356 HydrophobicContact CE3-CD2 3.83Å; W143-L356 HydrophobicContact CE3-CG 3.97Å; W143-L356 HydrophobicContact CH2-CD1 3.38Å; W143-L356 HydrophobicContact CH2-CD2 4.45Å; W143-L356 HydrophobicContact CH2-CG 3.73Å; W143-L356 HydrophobicContact CZ2-CD1 3.63Å; W143-L356 HydrophobicContact CZ2-CG 4.39Å; W143-L356 HydrophobicContact CZ3-CD1 3.68Å; W143-L356 HydrophobicContact CZ3-CD2 3.91Å; W143-L356 HydrophobicContact CZ3-CG 3.5Å; W143-L356 VanDerWaalsContact CZ3-CG 3.5Å; P145-L356 HydrophobicContact CG-CD1 3.73Å; F351-L356 HydrophobicContact CB-CB 4.22Å; F351-L356 HydrophobicContact CB-CD2 3.89Å; F351-L356 HydrophobicContact CD1-CD2 3.81Å; F351-L356 HydrophobicContact CG-CD2 4.26Å; D352-L356 HydrophobicContact CB-CD2 4.33Å; T354-L356 PolarHBondContact O-N 3.27Å; L356-R379 PolarHBondContact O-NH1 2.76Å |
| 357 | Y | 98 | Very high | 94.6 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -89.4 | -38 | 179.6 | -74.8 | -87.3 | 0 | 0 | 0 | 111.3 | W143 P205 L348 F351 Y375 N376 V382 F385 | W143-Y357 HydrophobicContact CE3-CE1 4.39Å; W143-Y357 HydrophobicContact CE3-CE2 4.39Å; W143-Y357 HydrophobicContact CZ3-CE1 4.27Å; W143-Y357 HydrophobicContact CZ3-CE2 4.47Å; P205-Y357 HydrophobicContact CG-CE2 4.47Å; L348-Y357 HydrophobicContact CB-CD2 4.08Å; L348-Y357 HydrophobicContact CB-CG 4.23Å; L348-Y357 HydrophobicContact CD1-CD1 4.34Å; L348-Y357 HydrophobicContact CD1-CG 4.35Å; L348-Y357 HydrophobicContact CD2-CD1 4.49Å; L348-Y357 HydrophobicContact CD2-CD2 3.96Å; L348-Y357 HydrophobicContact CD2-CE1 4.33Å; L348-Y357 HydrophobicContact CD2-CE2 3.79Å; L348-Y357 HydrophobicContact CD2-CG 4.32Å; L348-Y357 HydrophobicContact CG-CD2 4.47Å; F351-Y357 HydrophobicContact CB-CD2 3.92Å; F351-Y357 HydrophobicContact CB-CE2 3.99Å; F351-Y357 HydrophobicContact CD1-CE2 4.17Å; F351-Y357 HydrophobicContact CD2-CE2 4.21Å; F351-Y357 HydrophobicContact CG-CD2 4.29Å; F351-Y357 AromaticContact CG-CE2 3.87Å; F351-Y357 HydrophobicContact CG-CE2 3.87Å; Y357-Y375 CarbonylContact O-C 3.48Å; Y357-Y375 WeakPolarHBondContact O-CA 3.41Å; Y357-N376 PolarHBondContact O-N 3.12Å; Y357-V382 HydrophobicContact CD1-CG2 4.27Å; Y357-F385 HydrophobicContact CD1-CD1 4.18Å; Y357-F385 HydrophobicContact CD1-CE1 4.4Å; Y357-F385 HydrophobicContact CE1-CB 4.41Å; Y357-F385 AromaticContact CE1-CD1 3.93Å; Y357-F385 HydrophobicContact CE1-CD1 3.93Å; Y357-F385 HydrophobicContact CE1-CD2 4.29Å; Y357-F385 HydrophobicContact CE1-CE1 4.21Å; Y357-F385 AromaticContact CE1-CG 3.97Å; Y357-F385 HydrophobicContact CE1-CG 3.97Å |
| 358 | E | 97.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.009 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -81.3 | 154.4 | 175.8 | 68.7 | -78.5 | -159.7 | 0 | 0 | 112.3 | F341 E350 N355 L373 I374 | F341-E358 HydrophobicContact CE1-CB 4.2Å; F341-E358 HydrophobicContact CZ-CB 3.69Å; E350-E358 PolarHBondContact N-OE1 2.94Å; N355-E358 CarbonylContact C-O 3.55Å; N355-E358 WeakPolarHBondContact CA-OE1 3.46Å; N355-E358 HydrophobicContact CB-CG 3.83Å; N355-E358 WeakPolarHBondContact ND2-CG 3.29Å; N355-E358 PolarHBondContact ND2-OE1 3.45Å; E358-L373 HydrophobicContact CB-CB 3.95Å; E358-L373 HydrophobicContact CB-CD1 4.33Å; E358-L373 HydrophobicContact CB-CD2 4.3Å; E358-L373 HydrophobicContact CB-CG 4.42Å; E358-L373 HydrophobicContact CG-CD1 4.24Å; E358-L373 HydrophobicContact CG-CD2 4.23Å; E358-I374 VanDerWaalsContact CA-O 3.24Å; E358-I374 WeakPolarHBondContact CA-O 3.27Å |
| 359 | H | 95 | Very high | 93.5 | Very high | 41 Ų | 41 | 41.5 Ų | 41.5 | 19% | 0.19 | 22% | 0.217 | C | C | . | . | trans | -68.6 | 138 | 172.2 | -165.8 | -88 | 0 | 0 | 0 | 111 | D361 E364 I374 N376 | H359-D361 VanDerWaalsContact C-N 3.35Å; H359-D361 PolarHBondContact ND1-N 3.13Å; H359-D361 VanDerWaalsContact ND1-N 3.15Å; H359-D361 PolarHBondContact ND1-O 3.47Å; H359-D361 PolarHBondContact O-N 3.08Å; H359-E364 HydrophobicContact CB-CB 4.36Å; H359-E364 IonicContact CE1-OE1 2.71Å; H359-E364 PolarHBondContact CE1-OE1 2.98Å; H359-E364 IonicContact CE1-OE2 2.75Å; H359-E364 PolarHBondContact CE1-OE2 3.47Å; H359-E364 IonicContact ND1-OE2 2.56Å; H359-E364 IonicContact NE2-OE2 3.99Å; H359-I374 PolarHBondContact N-O 3.06Å; H359-I374 VanDerWaalsContact N-O 3.14Å; H359-N376 HydrophobicContact CB-CB 4.27Å | ||
| 360 | S | 93.4 | Very high | 93 | Very high | 80 Ų | 80 | 45 Ų | 45 | 56% | 0.559 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -72.5 | -25.4 | -174.1 | 57.6 | 0 | 0 | 0 | 0 | 114.2 | P362 | S360-P362 WeakPolarHBondContact O-CD 3.33Š|
| 361 | D | 92.6 | Very high | 92.7 | Very high | 35 Ų | 35 | 45.2 Ų | 45.2 | 19% | 0.187 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -85.8 | 116.4 | 171.8 | -164.6 | -41.8 | 0 | 0 | 0 | 109.8 | H359 R363 E364 G365 I423 | H359-D361 VanDerWaalsContact C-N 3.35Å; H359-D361 PolarHBondContact ND1-N 3.13Å; H359-D361 VanDerWaalsContact ND1-N 3.15Å; H359-D361 PolarHBondContact ND1-O 3.47Å; H359-D361 PolarHBondContact O-N 3.08Å; D361-R363 PolarHBondContact O-N 3.23Å; D361-R363 VanDerWaalsContact O-N 3.13Å; D361-R363 VanDerWaalsContact OD1-CB 3.26Å; D361-R363 WeakPolarHBondContact OD1-CB 3.21Å; D361-R363 WeakPolarHBondContact OD1-CG 3.43Å; D361-R363 IonicContact OD1-CZ 3.94Å; D361-R363 PolarHBondContact OD1-N 3.45Å; D361-R363 IonicContact OD1-NE 2.91Å; D361-R363 PolarHBondContact OD1-NE 3.39Å; D361-R363 IonicContact OD1-NH2 3.38Å; D361-R363 IonicContact OD2-CZ 3.09Å; D361-R363 IonicContact OD2-NE 3.21Å; D361-R363 PolarHBondContact OD2-NE 2.87Å; D361-R363 IonicContact OD2-NH2 2.91Å; D361-R363 PolarHBondContact OD2-NH2 2.94Å; D361-E364 PolarHBondContact O-N 3.18Å; D361-G365 PolarHBondContact O-N 3.12Å; D361-I423 WeakPolarHBondContact OD2-CD1 3.22Å |
| 362 | P | 87.9 | Confident | 92.5 | Very high | 93 Ų | 93 | 45.2 Ų | 45.2 | 60% | 0.604 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -60.5 | -22.5 | -179.9 | -24.2 | 34.8 | 0 | 0 | 0 | 114.3 | S360 E364 Y366 | S360-P362 WeakPolarHBondContact O-CD 3.33Å; P362-E364 PolarHBondContact O-N 3.2Å; P362-Y366 WeakPolarHBondContact O-CB 3.46Å; P362-Y366 PolarHBondContact O-N 3.21Å |
| 363 | R | 89.3 | Confident | 92.5 | Very high | 109 Ų | 109 | 46.3 Ų | 46.3 | 41% | 0.411 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.1 | -14.2 | 174.8 | -62.7 | 175.2 | -71.2 | 176.2 | -1.5 | 112.6 | D361 R417 E421 I423 | D361-R363 PolarHBondContact O-N 3.23Å; D361-R363 VanDerWaalsContact O-N 3.13Å; D361-R363 VanDerWaalsContact OD1-CB 3.26Å; D361-R363 WeakPolarHBondContact OD1-CB 3.21Å; D361-R363 WeakPolarHBondContact OD1-CG 3.43Å; D361-R363 IonicContact OD1-CZ 3.94Å; D361-R363 PolarHBondContact OD1-N 3.45Å; D361-R363 IonicContact OD1-NE 2.91Å; D361-R363 PolarHBondContact OD1-NE 3.39Å; D361-R363 IonicContact OD1-NH2 3.38Å; D361-R363 IonicContact OD2-CZ 3.09Å; D361-R363 IonicContact OD2-NE 3.21Å; D361-R363 PolarHBondContact OD2-NE 2.87Å; D361-R363 IonicContact OD2-NH2 2.91Å; D361-R363 PolarHBondContact OD2-NH2 2.94Å; R363-R417 WeakPolarHBondContact O-CD 3.36Å; R363-R417 PolarHBondContact O-NE 3.33Å; R363-R417 PolarHBondContact O-NH1 2.95Å; R363-R417 PolarHBondContact O-NH2 3.39Å; R363-E421 WeakPolarHBondContact CB-O 3.44Å; R363-E421 WeakPolarHBondContact CG-O 3.37Å; R363-I423 HydrophobicContact CB-CG1 4.36Å; R363-I423 VanDerWaalsContact CZ-CG1 3.44Å |
| 364 | E | 90.1 | Very high | 92.5 | Very high | 29 Ų | 29 | 46.3 Ų | 46.3 | 14% | 0.136 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -121.1 | -32.2 | 177.6 | -59.9 | 177.8 | -128.4 | 0 | 0 | 111.8 | H359 D361 P362 I374 R413 | H359-E364 HydrophobicContact CB-CB 4.36Å; H359-E364 IonicContact CE1-OE1 2.71Å; H359-E364 PolarHBondContact CE1-OE1 2.98Å; H359-E364 IonicContact CE1-OE2 2.75Å; H359-E364 PolarHBondContact CE1-OE2 3.47Å; H359-E364 IonicContact ND1-OE2 2.56Å; H359-E364 IonicContact NE2-OE2 3.99Å; D361-E364 PolarHBondContact O-N 3.18Å; P362-E364 PolarHBondContact O-N 3.2Å; E364-I374 WeakPolarHBondContact O-CB 3.36Å; E364-I374 WeakPolarHBondContact O-CD1 3.39Å; E364-R413 VanDerWaalsContact CD-CZ 3.5Å; E364-R413 IonicContact OE1-NH2 2.77Å; E364-R413 PolarHBondContact OE1-NH2 2.92Å; E364-R413 IonicContact OE2-CZ 2.81Å; E364-R413 IonicContact OE2-NH1 3.16Å; E364-R413 PolarHBondContact OE2-NH1 3.06Å; E364-R413 IonicContact OE2-NH2 3.33Å; E364-R413 PolarHBondContact OE2-NH2 3.4Å |
| 365 | G | 90.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -92.1 | 5.3 | -172 | 0 | 0 | 0 | 0 | 0 | 115.6 | D361 L373 I374 | D361-G365 PolarHBondContact O-N 3.12Å; G365-L373 CarbonylContact O-C 3.56Å; G365-L373 WeakPolarHBondContact O-CA 3.23Å; G365-I374 PolarHBondContact O-N 3.04Å |
| 366 | Y | 93.3 | Very high | 92.5 | Very high | 68 Ų | 68 | 43.1 Ų | 43.1 | 27% | 0.267 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 130.5 | -174.5 | -174.2 | -99.6 | 0 | 0 | 0 | 113.4 | T343 P362 Q368 N371 T372 L373 R417 | T343-Y366 HydrophobicContact CG2-CE2 4.45Å; P362-Y366 WeakPolarHBondContact O-CB 3.46Å; P362-Y366 PolarHBondContact O-N 3.21Å; Y366-Q368 HydrophobicContact CD1-CG 4.28Å; Y366-Q368 HydrophobicContact CE1-CG 4.48Å; Y366-N371 WeakPolarHBondContact OH-CA 3.31Å; Y366-N371 PolarHBondContact OH-OD1 3.14Å; Y366-T372 WeakPolarHBondContact CA-O 3.43Å; Y366-T372 VanDerWaalsContact CD2-O 3.3Å; Y366-T372 WeakPolarHBondContact CD2-O 3.27Å; Y366-L373 HydrophobicContact CD2-CD2 4.04Å; Y366-R417 PolarHBondContact O-NH2 2.9Å |
| 367 | H | 89.2 | Confident | 92.5 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 111.4 | 170.8 | -78.5 | -54.2 | 0 | 0 | 0 | 110.1 | D369 W370 N371 T372 I374 S409 Y415 | H367-D369 PolarHBondContact O-N 3.22Å; H367-W370 HydrophobicContact CB-CB 4.09Å; H367-W370 HydrophobicContact CB-CD2 4.27Å; H367-W370 HydrophobicContact CB-CE3 4.03Å; H367-W370 HydrophobicContact CB-CG 4.34Å; H367-W370 AromaticContact CD2-CE3 3.5Å; H367-W370 VanDerWaalsContact CD2-CE3 3.5Å; H367-W370 AromaticContact CD2-CZ3 3.65Å; H367-W370 AromaticContact CG-CE3 3.77Å; H367-W370 AromaticContact NE2-CZ3 3.76Å; H367-W370 PolarHBondContact O-N 3.12Å; H367-N371 PolarHBondContact O-N 3Å; H367-T372 PolarHBondContact N-O 3.45Å; H367-I374 VanDerWaalsContact CD2-CG1 3.47Å; H367-I374 WeakPolarHBondContact CD2-CG1 3.38Å; H367-S409 VanDerWaalsContact CE1-CB 3.5Å; H367-S409 WeakPolarHBondContact CE1-CB 3.39Å; H367-S409 PolarHBondContact CE1-O 3.41Å; H367-S409 PolarHBondContact NE2-OG 2.83Å; H367-Y415 AromaticContact CE1-CD1 3.78Å; H367-Y415 AromaticContact ND1-CD1 3.88Å |
| 368 | Q | 84.8 | Confident | 92.3 | Very high | 91 Ų | 91 | 45.8 Ų | 45.8 | 43% | 0.425 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -42 | -172.6 | -65.5 | -165.2 | 13.9 | 0 | 0 | 113.6 | Y366 E421 | Y366-Q368 HydrophobicContact CD1-CG 4.28Å; Y366-Q368 HydrophobicContact CE1-CG 4.48Å; Q368-E421 PolarHBondContact NE2-OE2 3.4Å; Q368-E421 PolarHBondContact OE1-OE2 2.88Å |
| 369 | D | 85.4 | Confident | 92.2 | Very high | 117 Ų | 117 | 48.7 Ų | 48.7 | 63% | 0.626 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -20.8 | -175.9 | -66.7 | -34.3 | 0 | 0 | 0 | 113.2 | H367 S416 | H367-D369 PolarHBondContact O-N 3.22Å; D369-S416 WeakPolarHBondContact OD2-CB 3.37Å; D369-S416 PolarHBondContact OD2-OG 3.27Å |
| 370 | W | 87.3 | Confident | 92.2 | Very high | 81 Ų | 81 | 53.6 Ų | 53.6 | 31% | 0.307 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -15.2 | -176.7 | -56.4 | -13.5 | 0 | 0 | 0 | 113.4 | H340 H367 T372 A406 Y415 | H340-W370 AromaticContact CD2-CE3 3.87Å; H340-W370 AromaticContact CD2-CZ3 3.71Å; H340-W370 AromaticContact NE2-CE3 3.91Å; H340-W370 AromaticContact NE2-CZ3 3.95Å; H367-W370 HydrophobicContact CB-CB 4.09Å; H367-W370 HydrophobicContact CB-CD2 4.27Å; H367-W370 HydrophobicContact CB-CE3 4.03Å; H367-W370 HydrophobicContact CB-CG 4.34Å; H367-W370 AromaticContact CD2-CE3 3.5Å; H367-W370 VanDerWaalsContact CD2-CE3 3.5Å; H367-W370 AromaticContact CD2-CZ3 3.65Å; H367-W370 AromaticContact CG-CE3 3.77Å; H367-W370 AromaticContact NE2-CZ3 3.76Å; H367-W370 PolarHBondContact O-N 3.12Å; W370-T372 VanDerWaalsContact C-N 3.31Å; W370-T372 HydrophobicContact CB-CG2 4.26Å; W370-T372 PolarHBondContact O-N 2.78Å; W370-A406 HydrophobicContact CH2-CB 3.85Å; W370-Y415 AromaticContact CH2-CE1 3.86Å; W370-Y415 HydrophobicContact CH2-CE1 3.86Å; W370-Y415 AromaticContact CZ2-CE1 3.76Å; W370-Y415 HydrophobicContact CZ2-CE1 3.76Å; W370-Y415 WeakPolarHBondContact CZ2-OH 3.42Å |
| 371 | N | 88.8 | Confident | 92.3 | Very high | 92 Ų | 92 | 52.1 Ų | 52.1 | 49% | 0.492 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | 43.7 | -174.9 | -172.6 | 28.8 | 0 | 0 | 0 | 112.4 | Y366 H367 | Y366-N371 WeakPolarHBondContact OH-CA 3.31Å; Y366-N371 PolarHBondContact OH-OD1 3.14Å; H367-N371 PolarHBondContact O-N 3Å |
| 372 | T | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 156 | -178.3 | 55.5 | 0 | 0 | 0 | 0 | 111.4 | Q301 H340 F341 Y366 H367 W370 | Q301-T372 HydrophobicContact CG-CG2 4.24Å; H340-T372 WeakPolarHBondContact ND1-CB 3.46Å; H340-T372 WeakPolarHBondContact ND1-CG2 3.29Å; H340-T372 PolarHBondContact ND1-OG1 3.45Å; F341-T372 WeakPolarHBondContact O-CB 3.04Å; Y366-T372 WeakPolarHBondContact CA-O 3.43Å; Y366-T372 VanDerWaalsContact CD2-O 3.3Å; Y366-T372 WeakPolarHBondContact CD2-O 3.27Å; H367-T372 PolarHBondContact N-O 3.45Å; W370-T372 VanDerWaalsContact C-N 3.31Å; W370-T372 HydrophobicContact CB-CG2 4.26Å; W370-T372 PolarHBondContact O-N 2.78Å |
| 373 | L | 96.6 | Very high | 92.9 | Very high | 23 Ų | 23 | 46.9 Ų | 46.9 | 12% | 0.12 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 146.5 | 177.1 | -63.9 | 168.6 | 0 | 0 | 0 | 111.1 | H340 F341 T343 A349 E358 G365 Y366 | H340-L373 CarbonylContact C-O 3.54Å; H340-L373 WeakPolarHBondContact CA-O 3.11Å; H340-L373 WeakPolarHBondContact CB-O 3.47Å; F341-L373 HydrophobicContact CD1-CB 4.39Å; F341-L373 HydrophobicContact CD2-CB 4.15Å; F341-L373 HydrophobicContact CD2-CD1 4.32Å; F341-L373 HydrophobicContact CE1-CB 4.08Å; F341-L373 HydrophobicContact CE2-CB 3.8Å; F341-L373 HydrophobicContact CE2-CD1 3.63Å; F341-L373 HydrophobicContact CE2-CG 4.36Å; F341-L373 HydrophobicContact CG-CB 4.46Å; F341-L373 HydrophobicContact CZ-CB 3.81Å; F341-L373 HydrophobicContact CZ-CD1 4.16Å; F341-L373 PolarHBondContact N-O 3.4Å; F341-L373 PolarHBondContact O-N 3.03Å; T343-L373 HydrophobicContact CG2-CD1 4.19Å; T343-L373 HydrophobicContact CG2-CD2 4.43Å; T343-L373 HydrophobicContact CG2-CG 3.91Å; A349-L373 HydrophobicContact CB-CD1 3.55Å; E358-L373 HydrophobicContact CB-CB 3.95Å; E358-L373 HydrophobicContact CB-CD1 4.33Å; E358-L373 HydrophobicContact CB-CD2 4.3Å; E358-L373 HydrophobicContact CB-CG 4.42Å; E358-L373 HydrophobicContact CG-CD1 4.24Å; E358-L373 HydrophobicContact CG-CD2 4.23Å; G365-L373 CarbonylContact O-C 3.56Å; G365-L373 WeakPolarHBondContact O-CA 3.23Å; Y366-L373 HydrophobicContact CD2-CD2 4.04Å |
| 374 | I | 96.4 | Very high | 93.3 | Very high | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | trans | -104.7 | 132.4 | 179.5 | -61 | 164.7 | 0 | 0 | 0 | 108.6 | E358 H359 E364 G365 H367 Y377 | E358-I374 VanDerWaalsContact CA-O 3.24Å; E358-I374 WeakPolarHBondContact CA-O 3.27Å; H359-I374 PolarHBondContact N-O 3.06Å; H359-I374 VanDerWaalsContact N-O 3.14Å; E364-I374 WeakPolarHBondContact O-CB 3.36Å; E364-I374 WeakPolarHBondContact O-CD1 3.39Å; G365-I374 PolarHBondContact O-N 3.04Å; H367-I374 VanDerWaalsContact CD2-CG1 3.47Å; H367-I374 WeakPolarHBondContact CD2-CG1 3.38Å; I374-Y377 HydrophobicContact CG2-CE2 3.84Å | ||
| 375 | Y | 97.7 | Very high | 93.7 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -59.3 | 142.1 | 177.2 | -67.4 | -78.4 | 0 | 0 | 0 | 111.9 | L305 P338 F341 L348 Y357 Y377 V382 F385 L386 | L305-Y375 WeakPolarHBondContact CD1-OH 3.45Å; P338-Y375 WeakPolarHBondContact O-CD2 3.38Å; F341-Y375 HydrophobicContact CB-CE2 4.39Å; F341-Y375 AromaticContact CD1-CD1 3.64Å; F341-Y375 HydrophobicContact CD1-CD1 3.64Å; F341-Y375 AromaticContact CD1-CD2 3.95Å; F341-Y375 HydrophobicContact CD1-CD2 3.95Å; F341-Y375 AromaticContact CD1-CE1 3.33Å; F341-Y375 HydrophobicContact CD1-CE1 3.33Å; F341-Y375 AromaticContact CD1-CE2 3.68Å; F341-Y375 HydrophobicContact CD1-CE2 3.68Å; F341-Y375 AromaticContact CD1-CG 3.94Å; F341-Y375 HydrophobicContact CD1-CG 3.94Å; F341-Y375 AromaticContact CD1-CZ 3.36Å; F341-Y375 AromaticContact CE1-CD1 3.52Å; F341-Y375 HydrophobicContact CE1-CD1 3.52Å; F341-Y375 HydrophobicContact CE1-CD2 4.42Å; F341-Y375 AromaticContact CE1-CE1 3.6Å; F341-Y375 HydrophobicContact CE1-CE1 3.6Å; F341-Y375 AromaticContact CE1-CG 3.96Å; F341-Y375 HydrophobicContact CE1-CG 3.96Å; F341-Y375 HydrophobicContact CG-CE1 4.18Å; L348-Y375 HydrophobicContact CD1-CE1 3.93Å; Y357-Y375 CarbonylContact O-C 3.48Å; Y357-Y375 WeakPolarHBondContact O-CA 3.41Å; Y375-Y377 WeakPolarHBondContact O-CD2 3.43Å; Y375-Y377 WeakPolarHBondContact O-CE2 3.26Å; Y375-Y377 PolarHBondContact O-N 3.19Å; Y375-Y377 VanDerWaalsContact O-N 3.07Å; Y375-V382 HydrophobicContact CD1-CG1 3.95Å; Y375-V382 HydrophobicContact CG-CG1 4.43Å; Y375-F385 HydrophobicContact CE1-CE1 4.13Å; Y375-L386 HydrophobicContact CD1-CD1 4.26Å; Y375-L386 HydrophobicContact CD1-CD2 4.36Å; Y375-L386 HydrophobicContact CD2-CD1 4.08Å; Y375-L386 HydrophobicContact CD2-CD2 4.36Å; Y375-L386 HydrophobicContact CE1-CD2 4.07Å; Y375-L386 HydrophobicContact CE2-CD2 4.05Å; Y375-L386 HydrophobicContact CG-CD1 3.89Å; Y375-L386 HydrophobicContact CG-CD2 4.5Å |
| 376 | N | 97.2 | Very high | 94 | Very high | 31 Ų | 31 | 40.7 Ų | 40.7 | 17% | 0.166 | 20% | 0.198 | C | C | . | . | trans | -80.1 | 83.1 | 170.8 | -171.3 | -13.8 | 0 | 0 | 0 | 110 | Y357 H359 G378 R379 V382 | Y357-N376 PolarHBondContact O-N 3.12Å; H359-N376 HydrophobicContact CB-CB 4.27Å; N376-G378 PolarHBondContact O-N 3.38Å; N376-G378 PolarHBondContact OD1-N 2.81Å; N376-R379 HydrophobicContact CB-CB 4.18Å; N376-R379 WeakPolarHBondContact O-CB 3.49Å; N376-R379 PolarHBondContact O-N 3.09Å; N376-R379 PolarHBondContact OD1-N 3.26Å; N376-V382 WeakPolarHBondContact O-CB 3.4Å | ||
| 377 | Y | 96.2 | Very high | 94.2 | Very high | 11 Ų | 11 | 37.8 Ų | 37.8 | 4% | 0.043 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -27.5 | -178 | -52.7 | -71 | 0 | 0 | 0 | 113.6 | P338 G339 I374 Y375 R379 L386 M410 A435 F438 | P338-Y377 PolarHBondContact O-OH 3.08Å; P338-Y377 VanDerWaalsContact O-OH 3.14Å; G339-Y377 WeakPolarHBondContact CA-OH 3.38Å; G339-Y377 PolarHBondContact O-OH 3.03Å; I374-Y377 HydrophobicContact CG2-CE2 3.84Å; Y375-Y377 WeakPolarHBondContact O-CD2 3.43Å; Y375-Y377 WeakPolarHBondContact O-CE2 3.26Å; Y375-Y377 PolarHBondContact O-N 3.19Å; Y375-Y377 VanDerWaalsContact O-N 3.07Å; Y377-R379 PolarHBondContact O-N 3.29Å; Y377-L386 HydrophobicContact CD1-CD1 4.22Å; Y377-L386 HydrophobicContact CE1-CD1 4.07Å; Y377-M410 HydrophobicContact CE1-CE 3.86Å; Y377-A435 HydrophobicContact CD2-CB 3.57Å; Y377-A435 HydrophobicContact CE2-CB 3.83Å; Y377-A435 HydrophobicContact CG-CB 4.11Å; Y377-F438 HydrophobicContact CD1-CB 4.2Å; Y377-F438 AromaticContact CD1-CD1 3.61Å; Y377-F438 HydrophobicContact CD1-CD1 3.61Å; Y377-F438 HydrophobicContact CD1-CE1 4.12Å; Y377-F438 AromaticContact CD1-CG 3.85Å; Y377-F438 HydrophobicContact CD1-CG 3.85Å; Y377-F438 AromaticContact CE1-CD1 3.9Å; Y377-F438 HydrophobicContact CE1-CD1 3.9Å; Y377-F438 HydrophobicContact CE1-CE1 4.04Å; Y377-F438 HydrophobicContact CG-CB 4.44Å; Y377-F438 HydrophobicContact CG-CD1 4.49Å |
| 378 | G | 93.9 | Very high | 94.6 | Very high | 47 Ų | 47 | 37.6 Ų | 37.6 | 49% | 0.485 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -15.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | N376 | N376-G378 PolarHBondContact O-N 3.38Å; N376-G378 PolarHBondContact OD1-N 2.81Å |
| 379 | R | 95.7 | Very high | 95.3 | Very high | 63 Ų | 63 | 33.3 Ų | 33.3 | 24% | 0.238 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -85.5 | 117.9 | 176.5 | -170 | 164.9 | -169.3 | 169.6 | 2.7 | 110.5 | W143 L356 N376 Y377 E381 V382 S383 | W143-R379 HydrophobicContact CH2-CG 4.37Å; L356-R379 PolarHBondContact O-NH1 2.76Å; N376-R379 HydrophobicContact CB-CB 4.18Å; N376-R379 WeakPolarHBondContact O-CB 3.49Å; N376-R379 PolarHBondContact O-N 3.09Å; N376-R379 PolarHBondContact OD1-N 3.26Å; Y377-R379 PolarHBondContact O-N 3.29Å; R379-E381 VanDerWaalsContact C-N 3.31Å; R379-E381 WeakPolarHBondContact CG-OE2 3.27Å; R379-E381 IonicContact NE-OE2 2.85Å; R379-E381 PolarHBondContact O-N 3.38Å; R379-V382 HydrophobicContact CB-CB 4.22Å; R379-V382 HydrophobicContact CB-CG2 3.95Å; R379-V382 HydrophobicContact CG-CG2 4.09Å; R379-V382 WeakPolarHBondContact O-CB 3.44Å; R379-V382 PolarHBondContact O-N 2.87Å; R379-S383 PolarHBondContact O-N 2.98Å |
| 380 | R | 94.8 | Very high | 95.9 | Very high | 144 Ų | 144 | 27.7 Ų | 27.7 | 54% | 0.543 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -53.2 | -44.3 | -172.2 | -62.9 | 179.1 | -176.3 | -173.8 | -4.9 | 113 | E115 V382 N384 | E115-R380 IonicContact OE2-NH1 3.52Å; E115-R380 PolarHBondContact OE2-NH1 3Å; R380-V382 PolarHBondContact O-N 3.18Å; R380-N384 VanDerWaalsContact O-CB 3.29Å; R380-N384 WeakPolarHBondContact O-CB 3.37Å; R380-N384 PolarHBondContact O-N 3Å |
| 381 | E | 95.7 | Very high | 96.3 | Very high | 49 Ų | 49 | 23.9 Ų | 23.9 | 23% | 0.229 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -70.9 | -31.2 | -178.9 | -53 | 97.1 | 134.2 | 0 | 0 | 112.9 | W143 R379 F385 | W143-E381 HydrophobicContact CD2-CB 4.1Å; W143-E381 HydrophobicContact CE3-CB 4.25Å; W143-E381 HydrophobicContact CH2-CB 3.69Å; W143-E381 HydrophobicContact CH2-CG 4.38Å; W143-E381 HydrophobicContact CZ2-CB 3.49Å; W143-E381 VanDerWaalsContact CZ2-CB 3.49Å; W143-E381 HydrophobicContact CZ2-CG 3.68Å; W143-E381 WeakPolarHBondContact CZ2-OE1 3.36Å; W143-E381 HydrophobicContact CZ3-CB 4.06Å; R379-E381 VanDerWaalsContact C-N 3.31Å; R379-E381 WeakPolarHBondContact CG-OE2 3.27Å; R379-E381 IonicContact NE-OE2 2.85Å; R379-E381 PolarHBondContact O-N 3.38Å; E381-F385 WeakPolarHBondContact O-CB 3.47Å; E381-F385 PolarHBondContact O-N 2.84Å |
| 382 | V | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -72.5 | -46.4 | 176.3 | 178.4 | 0 | 0 | 0 | 0 | 110.1 | W143 Y357 Y375 N376 R379 R380 N384 F385 L386 | W143-V382 HydrophobicContact CH2-CG2 4.02Å; W143-V382 HydrophobicContact CZ3-CG2 4.02Å; Y357-V382 HydrophobicContact CD1-CG2 4.27Å; Y375-V382 HydrophobicContact CD1-CG1 3.95Å; Y375-V382 HydrophobicContact CG-CG1 4.43Å; N376-V382 WeakPolarHBondContact O-CB 3.4Å; R379-V382 HydrophobicContact CB-CB 4.22Å; R379-V382 HydrophobicContact CB-CG2 3.95Å; R379-V382 HydrophobicContact CG-CG2 4.09Å; R379-V382 WeakPolarHBondContact O-CB 3.44Å; R379-V382 PolarHBondContact O-N 2.87Å; R380-V382 PolarHBondContact O-N 3.18Å; V382-N384 VanDerWaalsContact C-N 3.28Å; V382-N384 PolarHBondContact O-N 3.37Å; V382-F385 WeakPolarHBondContact O-CB 3.08Å; V382-F385 PolarHBondContact O-N 3.21Å; V382-L386 PolarHBondContact O-N 3.04Å; V382-L386 VanDerWaalsContact O-N 3.12Å |
| 383 | S | 96.8 | Very high | 96.9 | Very high | 17 Ų | 17 | 19.5 Ų | 19.5 | 12% | 0.119 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -56.5 | -45.1 | 171.5 | -176.4 | 0 | 0 | 0 | 0 | 110.7 | R379 F385 L386 V387 | R379-S383 PolarHBondContact O-N 2.98Å; S383-F385 PolarHBondContact O-N 3.18Å; S383-L386 PolarHBondContact O-N 3.24Å; S383-V387 VanDerWaalsContact O-CG2 3.32Å; S383-V387 WeakPolarHBondContact O-CG2 3.4Å; S383-V387 PolarHBondContact O-N 3.36Å |
| 384 | N | 96.8 | Very high | 97 | Very high | 7 Ų | 7 | 18.6 Ų | 18.6 | 4% | 0.037 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.4 | -39.8 | 177.9 | -163.4 | 180 | 0 | 0 | 0 | 112.8 | G116 H118 R380 V382 L386 G388 | G116-N384 VanDerWaalsContact C-OD1 3.3Å; G116-N384 WeakPolarHBondContact CA-OD1 3.34Å; G116-N384 WeakPolarHBondContact O-CB 3.27Å; H118-N384 WeakPolarHBondContact CB-OD1 3.2Å; H118-N384 PolarHBondContact N-OD1 3.4Å; H118-N384 PolarHBondContact O-ND2 3.23Å; R380-N384 VanDerWaalsContact O-CB 3.29Å; R380-N384 WeakPolarHBondContact O-CB 3.37Å; R380-N384 PolarHBondContact O-N 3Å; V382-N384 VanDerWaalsContact C-N 3.28Å; V382-N384 PolarHBondContact O-N 3.37Å; N384-L386 VanDerWaalsContact C-N 3.32Å; N384-L386 PolarHBondContact O-N 2.92Å; N384-G388 PolarHBondContact O-N 3.3Å |
| 385 | F | 97.9 | Very high | 97 | Very high | 3 Ų | 3 | 18.4 Ų | 18.4 | 1% | 0.013 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -57.9 | -43.2 | 175 | 164.9 | -104.4 | 0 | 0 | 0 | 112.1 | P205 Y206 L305 Y306 L348 Y357 Y375 E381 V382 S383 N389 | P205-F385 HydrophobicContact CB-CE2 3.98Å; Y206-F385 HydrophobicContact CD2-CD2 4.47Å; Y206-F385 HydrophobicContact CE1-CD2 4.1Å; Y206-F385 AromaticContact CE2-CD2 3.75Å; Y206-F385 HydrophobicContact CE2-CD2 3.75Å; Y206-F385 HydrophobicContact CE2-CE2 4.3Å; Y206-F385 AromaticContact CZ-CD2 3.57Å; Y206-F385 WeakPolarHBondContact OH-CA 3.33Å; L305-F385 HydrophobicContact CB-CZ 4.34Å; L305-F385 HydrophobicContact CD1-CE1 3.6Å; L305-F385 HydrophobicContact CD1-CZ 3.8Å; L305-F385 HydrophobicContact CG-CZ 4.48Å; Y306-F385 AromaticContact CD2-CE2 4Å; Y306-F385 HydrophobicContact CD2-CE2 4Å; Y306-F385 AromaticContact CE2-CD2 3.77Å; Y306-F385 HydrophobicContact CE2-CD2 3.77Å; Y306-F385 AromaticContact CE2-CE2 3.48Å; Y306-F385 HydrophobicContact CE2-CE2 3.48Å; Y306-F385 VanDerWaalsContact CE2-CE2 3.48Å; Y306-F385 HydrophobicContact CE2-CZ 4.23Å; Y306-F385 PolarHBondContact OH-O 3.42Å; L348-F385 HydrophobicContact CD1-CE1 4.1Å; L348-F385 HydrophobicContact CD1-CZ 4.19Å; Y357-F385 HydrophobicContact CD1-CD1 4.18Å; Y357-F385 HydrophobicContact CD1-CE1 4.4Å; Y357-F385 HydrophobicContact CE1-CB 4.41Å; Y357-F385 AromaticContact CE1-CD1 3.93Å; Y357-F385 HydrophobicContact CE1-CD1 3.93Å; Y357-F385 HydrophobicContact CE1-CD2 4.29Å; Y357-F385 HydrophobicContact CE1-CE1 4.21Å; Y357-F385 AromaticContact CE1-CG 3.97Å; Y357-F385 HydrophobicContact CE1-CG 3.97Å; Y375-F385 HydrophobicContact CE1-CE1 4.13Å; E381-F385 WeakPolarHBondContact O-CB 3.47Å; E381-F385 PolarHBondContact O-N 2.84Å; V382-F385 WeakPolarHBondContact O-CB 3.08Å; V382-F385 PolarHBondContact O-N 3.21Å; S383-F385 PolarHBondContact O-N 3.18Å; F385-N389 WeakPolarHBondContact O-CB 3.39Å; F385-N389 PolarHBondContact O-N 2.87Å |
| 386 | L | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -75.1 | -47.4 | 180 | -64.7 | 175.4 | 0 | 0 | 0 | 112.2 | L305 W336 Y375 Y377 V382 S383 N384 G388 N389 A390 F438 | L305-L386 HydrophobicContact CD1-CD2 3.86Å; W336-L386 HydrophobicContact CZ2-CB 4.24Å; W336-L386 VanDerWaalsContact CZ2-O 3.28Å; W336-L386 WeakPolarHBondContact CZ2-O 3.46Å; Y375-L386 HydrophobicContact CD1-CD1 4.26Å; Y375-L386 HydrophobicContact CD1-CD2 4.36Å; Y375-L386 HydrophobicContact CD2-CD1 4.08Å; Y375-L386 HydrophobicContact CD2-CD2 4.36Å; Y375-L386 HydrophobicContact CE1-CD2 4.07Å; Y375-L386 HydrophobicContact CE2-CD2 4.05Å; Y375-L386 HydrophobicContact CG-CD1 3.89Å; Y375-L386 HydrophobicContact CG-CD2 4.5Å; Y377-L386 HydrophobicContact CD1-CD1 4.22Å; Y377-L386 HydrophobicContact CE1-CD1 4.07Å; V382-L386 PolarHBondContact O-N 3.04Å; V382-L386 VanDerWaalsContact O-N 3.12Å; S383-L386 PolarHBondContact O-N 3.24Å; N384-L386 VanDerWaalsContact C-N 3.32Å; N384-L386 PolarHBondContact O-N 2.92Å; L386-G388 VanDerWaalsContact C-N 3.28Å; L386-G388 PolarHBondContact O-N 2.94Å; L386-N389 WeakPolarHBondContact O-CA 3.08Å; L386-N389 VanDerWaalsContact O-CB 3.29Å; L386-N389 WeakPolarHBondContact O-CB 3.46Å; L386-N389 PolarHBondContact O-N 2.93Å; L386-A390 PolarHBondContact O-N 3.07Å; L386-A390 VanDerWaalsContact O-N 3.08Å; L386-F438 HydrophobicContact CB-CE2 3.5Å; L386-F438 HydrophobicContact CB-CZ 3.59Å; L386-F438 HydrophobicContact CD1-CE1 4.31Å; L386-F438 HydrophobicContact CD1-CE2 4.01Å; L386-F438 HydrophobicContact CD1-CZ 3.75Å; L386-F438 HydrophobicContact CG-CE2 4.42Å; L386-F438 HydrophobicContact CG-CZ 4.31Å |
| 387 | V | 97.4 | Very high | 96.9 | Very high | 6 Ų | 6 | 17.6 Ų | 17.6 | 4% | 0.036 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58 | -43.7 | 176.1 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | S383 N389 A390 L391 F438 T442 I445 | S383-V387 VanDerWaalsContact O-CG2 3.32Å; S383-V387 WeakPolarHBondContact O-CG2 3.4Å; S383-V387 PolarHBondContact O-N 3.36Å; V387-N389 PolarHBondContact O-N 3.38Å; V387-A390 PolarHBondContact O-N 3.01Å; V387-L391 PolarHBondContact O-N 3.03Å; V387-F438 HydrophobicContact CG2-CD2 4.27Å; V387-F438 HydrophobicContact CG2-CE2 4Å; V387-T442 WeakPolarHBondContact CG2-OG1 3.24Å; V387-I445 HydrophobicContact CG1-CB 4.49Å; V387-I445 HydrophobicContact CG1-CD1 3.71Å; V387-I445 HydrophobicContact CG1-CG2 4.12Å |
| 388 | G | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.9 | -33.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y122 N384 L386 Y392 | Y122-G388 WeakPolarHBondContact CD1-O 3.39Å; Y122-G388 WeakPolarHBondContact CE1-O 3.43Å; N384-G388 PolarHBondContact O-N 3.3Å; L386-G388 VanDerWaalsContact C-N 3.28Å; L386-G388 PolarHBondContact O-N 2.94Å; G388-Y392 VanDerWaalsContact O-CB 3.3Å; G388-Y392 WeakPolarHBondContact O-CB 3.23Å; G388-Y392 PolarHBondContact O-N 2.8Å |
| 389 | N | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -72 | -40.9 | 179.3 | -174.6 | -109.7 | 0 | 0 | 0 | 112.1 | L305 Y306 W336 F385 L386 V387 L391 Y392 W393 | L305-N389 VanDerWaalsContact C-ND2 3.25Å; L305-N389 PolarHBondContact O-ND2 3.17Å; Y306-N389 HydrophobicContact CE1-CB 4.18Å; Y306-N389 HydrophobicContact CE2-CB 3.87Å; Y306-N389 WeakPolarHBondContact OH-CA 3.41Å; Y306-N389 PolarHBondContact OH-N 2.79Å; W336-N389 PolarHBondContact NE1-OD1 3.3Å; F385-N389 WeakPolarHBondContact O-CB 3.39Å; F385-N389 PolarHBondContact O-N 2.87Å; L386-N389 WeakPolarHBondContact O-CA 3.08Å; L386-N389 VanDerWaalsContact O-CB 3.29Å; L386-N389 WeakPolarHBondContact O-CB 3.46Å; L386-N389 PolarHBondContact O-N 2.93Å; V387-N389 PolarHBondContact O-N 3.38Å; N389-L391 PolarHBondContact O-N 2.92Å; N389-Y392 WeakPolarHBondContact O-CB 3.23Å; N389-Y392 PolarHBondContact O-N 3.2Å; N389-W393 PolarHBondContact O-N 2.88Å; N389-W393 VanDerWaalsContact O-N 3.16Å; N389-W393 PolarHBondContact OD1-NE1 2.83Å |
| 390 | A | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -58.6 | -48.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | W336 L386 V387 Y392 W393 I394 L402 T442 L446 | W336-A390 HydrophobicContact CH2-CB 4.01Å; W336-A390 HydrophobicContact CZ2-CB 3.93Å; W336-A390 HydrophobicContact CZ3-CB 4.36Å; L386-A390 PolarHBondContact O-N 3.07Å; L386-A390 VanDerWaalsContact O-N 3.08Å; V387-A390 PolarHBondContact O-N 3.01Å; A390-Y392 VanDerWaalsContact C-N 3.32Å; A390-Y392 PolarHBondContact O-N 3.4Å; A390-W393 PolarHBondContact O-N 2.82Å; A390-I394 PolarHBondContact O-N 2.92Å; A390-L402 HydrophobicContact CB-CD1 3.62Å; A390-T442 HydrophobicContact CB-CG2 4.1Å; A390-L446 HydrophobicContact CB-CD1 4.31Å; A390-L446 HydrophobicContact CB-CD2 4.29Å |
| 391 | L | 97.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -63.2 | -37 | 175.6 | -78.4 | 171.3 | 0 | 0 | 0 | 112.6 | L119 V387 N389 I394 E395 I445 L446 Q449 V450 | L119-L391 HydrophobicContact CB-CD1 4.26Å; L119-L391 WeakPolarHBondContact O-CD1 3.31Å; V387-L391 PolarHBondContact O-N 3.03Å; N389-L391 PolarHBondContact O-N 2.92Å; L391-I394 PolarHBondContact O-N 3.26Å; L391-E395 WeakPolarHBondContact O-CB 3.44Å; L391-E395 WeakPolarHBondContact O-CG 3.36Å; L391-E395 PolarHBondContact O-N 3.24Å; L391-I445 HydrophobicContact CD1-CG2 3.78Å; L391-I445 HydrophobicContact CD2-CG2 4.49Å; L391-I445 HydrophobicContact CG-CG2 4.33Å; L391-L446 HydrophobicContact CD2-CD2 3.74Å; L391-L446 HydrophobicContact CG-CD2 4.07Å; L391-Q449 HydrophobicContact CD2-CB 3.91Å; L391-V450 HydrophobicContact CD2-CG1 4.26Å; L391-V450 HydrophobicContact CD2-CG2 4.2Å |
| 392 | Y | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 2.7 Ų | 2.7 | 0% | 0 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -59.5 | -48.9 | 178.8 | 170.3 | -102.6 | 0 | 0 | 0 | 112 | Y122 F208 L223 Y306 G388 N389 A390 I394 R396 F397 | Y122-Y392 HydrophobicContact CD1-CD2 4.41Å; Y122-Y392 AromaticContact CD2-CD2 3.94Å; Y122-Y392 HydrophobicContact CD2-CD2 3.94Å; Y122-Y392 HydrophobicContact CE2-CD2 4.13Å; Y122-Y392 HydrophobicContact CG-CD2 4.08Å; F208-Y392 AromaticContact CD1-CE2 3.94Å; F208-Y392 HydrophobicContact CD1-CE2 3.94Å; F208-Y392 AromaticContact CD1-CZ 3.97Å; F208-Y392 HydrophobicContact CE1-CE2 4.2Å; L223-Y392 HydrophobicContact CD1-CD2 4.24Å; L223-Y392 HydrophobicContact CD1-CE2 3.76Å; Y306-Y392 AromaticContact CD1-CD1 3.61Å; Y306-Y392 HydrophobicContact CD1-CD1 3.61Å; Y306-Y392 AromaticContact CD1-CD2 3.97Å; Y306-Y392 HydrophobicContact CD1-CD2 3.97Å; Y306-Y392 HydrophobicContact CD1-CE1 4.02Å; Y306-Y392 HydrophobicContact CD1-CE2 4.37Å; Y306-Y392 AromaticContact CD1-CG 3.56Å; Y306-Y392 HydrophobicContact CD1-CG 3.56Å; Y306-Y392 HydrophobicContact CE1-CD1 4.27Å; Y306-Y392 HydrophobicContact CE1-CD2 4.4Å; Y306-Y392 AromaticContact CE1-CG 3.89Å; Y306-Y392 HydrophobicContact CE1-CG 3.89Å; Y306-Y392 HydrophobicContact CG-CD1 4.42Å; Y306-Y392 WeakPolarHBondContact O-CE1 3.26Å; Y306-Y392 VanDerWaalsContact O-CZ 3.24Å; Y306-Y392 PolarHBondContact O-OH 2.96Å; G388-Y392 VanDerWaalsContact O-CB 3.3Å; G388-Y392 WeakPolarHBondContact O-CB 3.23Å; G388-Y392 PolarHBondContact O-N 2.8Å; N389-Y392 WeakPolarHBondContact O-CB 3.23Å; N389-Y392 PolarHBondContact O-N 3.2Å; A390-Y392 VanDerWaalsContact C-N 3.32Å; A390-Y392 PolarHBondContact O-N 3.4Å; Y392-I394 PolarHBondContact O-N 3.15Å; Y392-R396 HydrophobicContact CD2-CB 4.07Å; Y392-R396 HydrophobicContact CD2-CG 3.62Å; Y392-R396 HydrophobicContact CE2-CB 4.04Å; Y392-R396 HydrophobicContact CE2-CG 3.89Å; Y392-R396 HydrophobicContact CG-CG 4.47Å; Y392-R396 WeakPolarHBondContact O-CA 3.22Å; Y392-R396 WeakPolarHBondContact O-CB 3.38Å; Y392-R396 WeakPolarHBondContact O-CG 3.38Å; Y392-R396 PolarHBondContact O-N 3.46Å; Y392-F397 HydrophobicContact CE1-CD2 4.3Å; Y392-F397 AromaticContact CE1-CE2 3.65Å; Y392-F397 HydrophobicContact CE1-CE2 3.65Å; Y392-F397 HydrophobicContact CE2-CE2 4.47Å; Y392-F397 AromaticContact CZ-CE2 3.63Å |
| 393 | W | 97.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 2.7 Ų | 2.7 | 0% | 0.004 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -61.5 | -46.9 | 179.7 | -74.6 | 117.2 | 0 | 0 | 0 | 112.3 | I289 N290 L305 P308 F318 L334 N389 A390 F397 G398 I399 L402 | I289-W393 HydrophobicContact CD1-CE3 4.11Å; I289-W393 HydrophobicContact CD1-CH2 3.14Å; I289-W393 HydrophobicContact CD1-CZ2 3.64Å; I289-W393 HydrophobicContact CD1-CZ3 3.42Å; I289-W393 VanDerWaalsContact CD1-CZ3 3.42Å; N290-W393 HydrophobicContact CB-CZ2 4.49Å; L305-W393 VanDerWaalsContact O-CZ2 3.26Å; L305-W393 WeakPolarHBondContact O-CZ2 3.3Å; L305-W393 PolarHBondContact O-NE1 3.13Å; P308-W393 HydrophobicContact CB-CH2 4.26Å; P308-W393 HydrophobicContact CG-CH2 3.75Å; P308-W393 HydrophobicContact CG-CZ3 3.9Å; F318-W393 HydrophobicContact CD1-CZ3 4.32Å; F318-W393 HydrophobicContact CE1-CE3 4.4Å; F318-W393 AromaticContact CE1-CZ3 3.82Å; F318-W393 HydrophobicContact CE1-CZ3 3.82Å; L334-W393 HydrophobicContact CD2-CB 4.15Å; L334-W393 HydrophobicContact CD2-CD2 3.56Å; L334-W393 HydrophobicContact CD2-CE3 3.9Å; L334-W393 HydrophobicContact CD2-CG 3.67Å; N389-W393 PolarHBondContact O-N 2.88Å; N389-W393 VanDerWaalsContact O-N 3.16Å; N389-W393 PolarHBondContact OD1-NE1 2.83Å; A390-W393 PolarHBondContact O-N 2.82Å; W393-F397 HydrophobicContact CE3-CB 4.41Å; W393-F397 AromaticContact CE3-CD2 3.49Å; W393-F397 HydrophobicContact CE3-CD2 3.49Å; W393-F397 VanDerWaalsContact CE3-CD2 3.49Å; W393-F397 AromaticContact CE3-CE2 3.94Å; W393-F397 HydrophobicContact CE3-CE2 3.94Å; W393-F397 HydrophobicContact CE3-CG 4.02Å; W393-F397 HydrophobicContact CH2-CE2 4.48Å; W393-F397 HydrophobicContact CZ3-CD1 4.5Å; W393-F397 AromaticContact CZ3-CD2 3.61Å; W393-F397 HydrophobicContact CZ3-CD2 3.61Å; W393-F397 AromaticContact CZ3-CE2 3.64Å; W393-F397 HydrophobicContact CZ3-CE2 3.64Å; W393-F397 HydrophobicContact CZ3-CG 4.06Å; W393-F397 HydrophobicContact CZ3-CZ 4.13Å; W393-F397 WeakPolarHBondContact O-CB 3.29Å; W393-F397 PolarHBondContact O-N 3.47Å; W393-G398 PolarHBondContact O-N 2.7Å; W393-I399 HydrophobicContact CB-CG1 4.23Å; W393-I399 WeakPolarHBondContact O-CG1 3.46Å; W393-I399 PolarHBondContact O-N 2.79Å; W393-L402 HydrophobicContact CB-CD2 4.35Å |
| 394 | I | 97.3 | Very high | 97.5 | Very high | 3 Ų | 3 | 2 Ų | 2 | 2% | 0.015 | 1% | 0.009 | C | C | . | . | H | α-helix | trans | -67.3 | -48.3 | -179.7 | -66.5 | 163 | 0 | 0 | 0 | 110.8 | A390 L391 Y392 G398 I399 L402 L446 V450 A453 | A390-I394 PolarHBondContact O-N 2.92Å; L391-I394 PolarHBondContact O-N 3.26Å; Y392-I394 PolarHBondContact O-N 3.15Å; I394-G398 WeakPolarHBondContact O-CA 3.33Å; I394-G398 PolarHBondContact O-N 2.82Å; I394-G398 VanDerWaalsContact O-N 3.09Å; I394-I399 HydrophobicContact CG1-CB 4.47Å; I394-L402 HydrophobicContact CD1-CD1 3.94Å; I394-L402 HydrophobicContact CD1-CG 4.06Å; I394-L402 HydrophobicContact CG1-CD1 4.48Å; I394-L402 HydrophobicContact CG1-CG 4.34Å; I394-L446 HydrophobicContact CD1-CD1 4.07Å; I394-L446 HydrophobicContact CD1-CD2 3.52Å; I394-L446 HydrophobicContact CD1-CG 4.35Å; I394-V450 HydrophobicContact CD1-CG2 4.33Å; I394-V450 HydrophobicContact CG2-CB 3.85Å; I394-V450 HydrophobicContact CG2-CG1 3.92Å; I394-V450 HydrophobicContact CG2-CG2 3.86Å; I394-A453 HydrophobicContact CD1-CB 3.92Å; I394-A453 HydrophobicContact CG1-CB 4.38Å; I394-A453 HydrophobicContact CG2-CB 3.81Å |
| 395 | E | 96.2 | Very high | 97.4 | Very high | 2 Ų | 2 | 3.2 Ų | 3.2 | 1% | 0.009 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -77.5 | -32.3 | -174.2 | -68.8 | -165 | 156.6 | 0 | 0 | 113.7 | R120 Y122 K226 V227 L391 V450 | R120-E395 IonicContact CZ-OE1 2.71Å; R120-E395 IonicContact CZ-OE2 3.21Å; R120-E395 IonicContact NE-OE1 3.66Å; R120-E395 PolarHBondContact NE-OE1 2.82Å; R120-E395 IonicContact NE-OE2 2.73Å; R120-E395 PolarHBondContact NE-OE2 3.48Å; R120-E395 IonicContact NH2-OE1 2.76Å; R120-E395 PolarHBondContact NH2-OE1 2.96Å; R120-E395 IonicContact NH2-OE2 3.99Å; Y122-E395 PolarHBondContact OH-OE2 3.15Å; Y122-E395 VanDerWaalsContact OH-OE2 3.13Å; K226-E395 CarbonylContact C-O 3.35Å; K226-E395 VanDerWaalsContact CA-O 3.29Å; K226-E395 WeakPolarHBondContact CA-O 3.04Å; K226-E395 WeakPolarHBondContact CE-OE1 3.5Å; K226-E395 HydrophobicContact CG-CB 4.23Å; K226-E395 IonicContact NZ-OE1 3.13Å; K226-E395 PolarHBondContact NZ-OE1 3.36Å; K226-E395 IonicContact NZ-OE2 2.79Å; K226-E395 PolarHBondContact NZ-OE2 2.87Å; V227-E395 PolarHBondContact N-O 2.85Å; L391-E395 WeakPolarHBondContact O-CB 3.44Å; L391-E395 WeakPolarHBondContact O-CG 3.36Å; L391-E395 PolarHBondContact O-N 3.24Å; E395-V450 HydrophobicContact CG-CG1 3.66Å |
| 396 | R | 95.9 | Very high | 97.1 | Very high | 14 Ų | 14 | 3.5 Ų | 3.5 | 5% | 0.053 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -101.5 | -25.2 | -171.2 | -59.1 | -46.4 | -156.7 | -114.8 | 5.6 | 114.5 | Y122 E123 L223 P224 Y392 | Y122-R396 HydrophobicContact CE2-CG 4.4Å; E123-R396 IonicContact OE1-CZ 3.2Å; E123-R396 IonicContact OE1-NH1 2.73Å; E123-R396 IonicContact OE1-NH2 2.71Å; E123-R396 PolarHBondContact OE1-NH2 3.3Å; L223-R396 VanDerWaalsContact CD2-NH2 3.33Å; P224-R396 HydrophobicContact CB-CB 4.2Å; P224-R396 HydrophobicContact CG-CB 4.32Å; P224-R396 WeakPolarHBondContact O-CD 3.33Å; P224-R396 PolarHBondContact O-NE 3.07Å; Y392-R396 HydrophobicContact CD2-CB 4.07Å; Y392-R396 HydrophobicContact CD2-CG 3.62Å; Y392-R396 HydrophobicContact CE2-CB 4.04Å; Y392-R396 HydrophobicContact CE2-CG 3.89Å; Y392-R396 HydrophobicContact CG-CG 4.47Å; Y392-R396 WeakPolarHBondContact O-CA 3.22Å; Y392-R396 WeakPolarHBondContact O-CB 3.38Å; Y392-R396 WeakPolarHBondContact O-CG 3.38Å; Y392-R396 PolarHBondContact O-N 3.46Å |
| 397 | F | 96.8 | Very high | 97.1 | Very high | 3 Ų | 3 | 3.5 Ų | 3.5 | 1% | 0.013 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -110.1 | -9.3 | 174.4 | -67.2 | -90.1 | 0 | 0 | 0 | 112.5 | P224 P308 R315 F318 R319 I322 Y392 W393 I399 | P224-F397 HydrophobicContact CG-CE2 4.44Å; P224-F397 HydrophobicContact CG-CZ 4.28Å; P308-F397 HydrophobicContact CG-CE1 3.76Å; P308-F397 HydrophobicContact CG-CE2 4.36Å; P308-F397 HydrophobicContact CG-CZ 3.54Å; R315-F397 HydrophobicContact CB-CE1 4.31Å; R315-F397 HydrophobicContact CB-CZ 4.23Å; F318-F397 AromaticContact CD1-CD1 3.41Å; F318-F397 HydrophobicContact CD1-CD1 3.41Å; F318-F397 VanDerWaalsContact CD1-CD1 3.41Å; F318-F397 AromaticContact CD1-CE1 3.59Å; F318-F397 HydrophobicContact CD1-CE1 3.59Å; F318-F397 HydrophobicContact CD1-CG 4.22Å; F318-F397 HydrophobicContact CE1-CB 4.43Å; F318-F397 AromaticContact CE1-CD1 3.79Å; F318-F397 HydrophobicContact CE1-CD1 3.79Å; F318-F397 HydrophobicContact CE1-CE1 4.31Å; F318-F397 HydrophobicContact CE1-CG 4.15Å; F318-F397 HydrophobicContact CG-CD1 4.48Å; R319-F397 HydrophobicContact CG-CD1 3.53Å; R319-F397 HydrophobicContact CG-CE1 3.64Å; I322-F397 VanDerWaalsContact CG2-O 3.22Å; I322-F397 WeakPolarHBondContact CG2-O 3.43Å; Y392-F397 HydrophobicContact CE1-CD2 4.3Å; Y392-F397 AromaticContact CE1-CE2 3.65Å; Y392-F397 HydrophobicContact CE1-CE2 3.65Å; Y392-F397 HydrophobicContact CE2-CE2 4.47Å; Y392-F397 AromaticContact CZ-CE2 3.63Å; W393-F397 HydrophobicContact CE3-CB 4.41Å; W393-F397 AromaticContact CE3-CD2 3.49Å; W393-F397 HydrophobicContact CE3-CD2 3.49Å; W393-F397 VanDerWaalsContact CE3-CD2 3.49Å; W393-F397 AromaticContact CE3-CE2 3.94Å; W393-F397 HydrophobicContact CE3-CE2 3.94Å; W393-F397 HydrophobicContact CE3-CG 4.02Å; W393-F397 HydrophobicContact CH2-CE2 4.48Å; W393-F397 HydrophobicContact CZ3-CD1 4.5Å; W393-F397 AromaticContact CZ3-CD2 3.61Å; W393-F397 HydrophobicContact CZ3-CD2 3.61Å; W393-F397 AromaticContact CZ3-CE2 3.64Å; W393-F397 HydrophobicContact CZ3-CE2 3.64Å; W393-F397 HydrophobicContact CZ3-CG 4.06Å; W393-F397 HydrophobicContact CZ3-CZ 4.13Å; W393-F397 WeakPolarHBondContact O-CB 3.29Å; W393-F397 PolarHBondContact O-N 3.47Å; F397-I399 VanDerWaalsContact C-N 3.31Å; F397-I399 HydrophobicContact CB-CG1 4.18Å |
| 398 | G | 95.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 3.2 Ų | 3.2 | 0% | 0 | 2% | 0.017 | C | C | . | . | trans | 71.1 | 28.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R233 H326 W393 I394 | R233-G398 PolarHBondContact NH2-O 2.83Å; H326-G398 PolarHBondContact CE1-O 2.78Å; H326-G398 PolarHBondContact NE2-O 2.78Å; W393-G398 PolarHBondContact O-N 2.7Å; I394-G398 WeakPolarHBondContact O-CA 3.33Å; I394-G398 PolarHBondContact O-N 2.82Å; I394-G398 VanDerWaalsContact O-N 3.09Å | ||
| 399 | I | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 3.4 Ų | 3.4 | 0% | 0 | 2% | 0.018 | C | C | . | . | trans | -58.4 | 138.2 | 171.9 | -61.9 | -59.8 | 0 | 0 | 0 | 109.5 | Q229 F318 I322 V332 L334 W393 I394 F397 A401 L402 | Q229-I399 PolarHBondContact NE2-O 3.39Å; F318-I399 HydrophobicContact CZ-CD1 4.42Å; I322-I399 HydrophobicContact CD1-CD1 3.81Å; I322-I399 HydrophobicContact CG1-CD1 4.41Å; V332-I399 HydrophobicContact CB-CD1 4.38Å; V332-I399 HydrophobicContact CG1-CD1 3.99Å; L334-I399 HydrophobicContact CB-CD1 4.37Å; L334-I399 HydrophobicContact CB-CG1 4.44Å; L334-I399 HydrophobicContact CB-CG2 3.82Å; L334-I399 HydrophobicContact CD2-CG1 4.39Å; W393-I399 HydrophobicContact CB-CG1 4.23Å; W393-I399 WeakPolarHBondContact O-CG1 3.46Å; W393-I399 PolarHBondContact O-N 2.79Å; I394-I399 HydrophobicContact CG1-CB 4.47Å; F397-I399 VanDerWaalsContact C-N 3.31Å; F397-I399 HydrophobicContact CB-CG1 4.18Å; I399-A401 WeakPolarHBondContact CG2-O 3.44Å; I399-L402 HydrophobicContact CG2-CD2 3.96Å | ||
| 400 | D | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 3.4 Ų | 3.4 | 0% | 0 | 2% | 0.018 | C | C | . | . | trans | -92.3 | -30 | -174.1 | -61.5 | -75 | 0 | 0 | 0 | 112.4 | R233 N237 H326 N331 V332 A453 V454 | R233-D400 IonicContact CZ-OD1 2.62Å; R233-D400 IonicContact NE-OD1 3.92Å; R233-D400 PolarHBondContact NE-OD1 3.21Å; R233-D400 IonicContact NH2-OD1 3.92Å; R233-D400 PolarHBondContact NH2-OD1 2.99Å; R233-D400 IonicContact NH2-OD2 2.73Å; N237-D400 PolarHBondContact ND2-O 3.08Å; N237-D400 VanDerWaalsContact ND2-O 3.09Å; H326-D400 IonicContact CD2-OD2 2.78Å; H326-D400 PolarHBondContact CD2-OD2 2.77Å; H326-D400 IonicContact CE1-OD2 3.75Å; H326-D400 IonicContact NE2-OD1 2.79Å; H326-D400 IonicContact NE2-OD2 3.35Å; H326-D400 PolarHBondContact NE2-OD2 3.5Å; N331-D400 VanDerWaalsContact CA-OD2 3.28Å; N331-D400 WeakPolarHBondContact CA-OD2 3.44Å; N331-D400 HydrophobicContact CB-CB 3.83Å; N331-D400 WeakPolarHBondContact CB-OD2 3.36Å; V332-D400 PolarHBondContact N-OD2 2.83Å; V332-D400 WeakPolarHBondContact O-CB 3.32Å; V332-D400 PolarHBondContact O-N 3.38Å; D400-A453 VanDerWaalsContact O-CA 3.3Å; D400-A453 WeakPolarHBondContact O-CA 3.32Å; D400-V454 PolarHBondContact O-N 3.06Å | ||
| 401 | A | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 3.4 Ų | 3.4 | 0% | 0 | 2% | 0.018 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 157 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | V332 I333 L334 I399 V454 M456 | V332-A401 PolarHBondContact O-N 2.89Å; I333-A401 CarbonylContact C-O 3.6Å; I333-A401 VanDerWaalsContact CA-O 3.29Å; I333-A401 WeakPolarHBondContact CA-O 3.42Å; I333-A401 HydrophobicContact CB-CB 4.37Å; I333-A401 HydrophobicContact CG1-CB 4.04Å; I333-A401 HydrophobicContact CG2-CB 4.07Å; L334-A401 PolarHBondContact N-O 3.17Å; I399-A401 WeakPolarHBondContact CG2-O 3.44Å; A401-V454 CarbonylContact C-O 3.5Å; A401-V454 WeakPolarHBondContact CA-O 3.19Å; A401-V454 HydrophobicContact CB-CG2 3.56Å; A401-V454 VanDerWaalsContact CB-O 3.27Å; A401-V454 WeakPolarHBondContact CB-O 3.45Å; A401-M456 HydrophobicContact CB-CE 4.33Å |
| 402 | L | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.021 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 135 | 170.6 | -58 | 177.1 | 0 | 0 | 0 | 109.7 | L334 W336 A390 W393 I394 I399 L446 V454 T455 M456 | L334-L402 HydrophobicContact CB-CD2 4.05Å; L334-L402 HydrophobicContact CD2-CD2 4.5Å; L334-L402 HydrophobicContact CG-CD2 4.5Å; L334-L402 CarbonylContact O-C 3.55Å; L334-L402 WeakPolarHBondContact O-CA 3.21Å; W336-L402 HydrophobicContact CB-CB 4.19Å; W336-L402 HydrophobicContact CB-CD2 4.32Å; W336-L402 HydrophobicContact CD2-CD1 4.34Å; W336-L402 HydrophobicContact CE3-CD1 4.38Å; W336-L402 HydrophobicContact CG-CD1 4.39Å; A390-L402 HydrophobicContact CB-CD1 3.62Å; W393-L402 HydrophobicContact CB-CD2 4.35Å; I394-L402 HydrophobicContact CD1-CD1 3.94Å; I394-L402 HydrophobicContact CD1-CG 4.06Å; I394-L402 HydrophobicContact CG1-CD1 4.48Å; I394-L402 HydrophobicContact CG1-CG 4.34Å; I399-L402 HydrophobicContact CG2-CD2 3.96Å; L402-L446 HydrophobicContact CD1-CD1 4.22Å; L402-V454 PolarHBondContact N-O 2.8Å; L402-V454 VanDerWaalsContact N-O 3.07Å; L402-T455 HydrophobicContact CB-CG2 4.39Å; L402-T455 CarbonylContact O-C 3.31Å; L402-T455 VanDerWaalsContact O-CA 3.23Å; L402-T455 WeakPolarHBondContact O-CA 3.45Å; L402-M456 PolarHBondContact O-N 3.45Å |
| 403 | R | 98.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 4.8 Ų | 4.8 | 0% | 0.004 | 2% | 0.023 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 130.2 | 169.8 | 178.9 | -97.4 | 157.8 | 159.1 | 2.2 | 109.3 | Y300 I333 L334 D335 W336 D405 M456 E458 W481 | Y300-R403 PolarHBondContact OH-NH1 2.67Å; I333-R403 HydrophobicContact CG2-CB 4.04Å; L334-R403 PolarHBondContact O-N 2.68Å; D335-R403 CarbonylContact C-O 3.52Å; D335-R403 WeakPolarHBondContact CA-O 3.5Å; D335-R403 WeakPolarHBondContact OD1-CD 3.4Å; D335-R403 IonicContact OD2-CZ 3.03Å; D335-R403 IonicContact OD2-NH1 2.75Å; D335-R403 PolarHBondContact OD2-NH1 3.49Å; W336-R403 PolarHBondContact N-O 3.01Å; R403-D405 IonicContact CZ-OD1 3.6Å; R403-D405 IonicContact NH1-OD1 3.8Å; R403-D405 PolarHBondContact NH1-OD1 2.87Å; R403-D405 VanDerWaalsContact NH2-CA 3.27Å; R403-D405 IonicContact NH2-OD1 2.74Å; R403-D405 PolarHBondContact NH2-OD1 2.97Å; R403-M456 CarbonylContact C-O 3.39Å; R403-M456 VanDerWaalsContact CA-O 3.3Å; R403-M456 WeakPolarHBondContact CA-O 3.44Å; R403-M456 HydrophobicContact CB-CB 4.21Å; R403-M456 HydrophobicContact CG-CB 4.25Å; R403-E458 IonicContact NH2-OE2 3.25Å; R403-W481 HydrophobicContact CG-CZ2 4.39Å |
| 404 | V | 98.3 | Very high | 96 | Very high | 2 Ų | 2 | 6.5 Ų | 6.5 | 1% | 0.012 | 3% | 0.033 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 123.8 | 176.3 | -178.2 | 0 | 0 | 0 | 0 | 108.9 | W336 P338 V407 M410 M456 E458 F477 | W336-V404 HydrophobicContact CE3-CG2 3.68Å; W336-V404 HydrophobicContact CZ3-CG2 4.23Å; P338-V404 HydrophobicContact CG-CG1 3.82Å; P338-V404 HydrophobicContact CG-CG2 4.26Å; V404-V407 HydrophobicContact CB-CG2 4Å; V404-V407 HydrophobicContact CG1-CG2 3.69Å; V404-M410 HydrophobicContact CG1-SD 4.06Å; V404-M456 PolarHBondContact N-O 2.7Å; V404-E458 PolarHBondContact O-N 3.45Å; V404-F477 HydrophobicContact CB-CE1 4.08Å; V404-F477 HydrophobicContact CB-CZ 4.23Å; V404-F477 HydrophobicContact CG2-CE1 3.85Å; V404-F477 HydrophobicContact CG2-CZ 4.17Å |
| 405 | D | 94.1 | Very high | 95.8 | Very high | 33 Ų | 33 | 9 Ų | 9 | 18% | 0.176 | 4% | 0.043 | C | C | . | . | S | Bend | trans | -82.6 | 150.1 | 173.5 | -176.6 | 73 | 0 | 0 | 0 | 112.4 | Y300 R403 V407 | Y300-D405 HydrophobicContact CD1-CB 4.22Å; Y300-D405 HydrophobicContact CE1-CB 3.82Å; R403-D405 IonicContact CZ-OD1 3.6Å; R403-D405 IonicContact NH1-OD1 3.8Å; R403-D405 PolarHBondContact NH1-OD1 2.87Å; R403-D405 VanDerWaalsContact NH2-CA 3.27Å; R403-D405 IonicContact NH2-OD1 2.74Å; R403-D405 PolarHBondContact NH2-OD1 2.97Å; D405-V407 VanDerWaalsContact C-N 3.3Å; D405-V407 PolarHBondContact O-N 3.33Å |
| 406 | A | 93.1 | Very high | 95.4 | Very high | 8 Ų | 8 | 11.8 Ų | 11.8 | 7% | 0.066 | 6% | 0.062 | C | C | . | . | trans | 46.3 | 48.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | W370 A408 S409 E458 | W370-A406 HydrophobicContact CH2-CB 3.85Å; A406-A408 PolarHBondContact O-N 3.48Å; A406-S409 WeakPolarHBondContact O-CA 3.38Å; A406-S409 VanDerWaalsContact O-CB 3.24Å; A406-S409 WeakPolarHBondContact O-CB 3.14Å; A406-S409 PolarHBondContact O-N 3.37Å; A406-S409 PolarHBondContact O-OG 2.91Å; A406-E458 WeakPolarHBondContact CA-OE2 3.3Å; A406-E458 PolarHBondContact N-OE2 3.01Å | ||
| 407 | V | 96.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -55.6 | -32.4 | -179.3 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | V404 D405 S409 M410 I411 L439 A457 E458 E459 L475 F477 | V404-V407 HydrophobicContact CB-CG2 4Å; V404-V407 HydrophobicContact CG1-CG2 3.69Å; D405-V407 VanDerWaalsContact C-N 3.3Å; D405-V407 PolarHBondContact O-N 3.33Å; V407-S409 PolarHBondContact O-N 2.76Å; V407-M410 WeakPolarHBondContact O-CB 3.39Å; V407-M410 PolarHBondContact O-N 3.22Å; V407-I411 HydrophobicContact CG1-CD1 4.28Å; V407-I411 HydrophobicContact CG1-CG2 3.97Å; V407-I411 WeakPolarHBondContact O-CG1 3.43Å; V407-I411 PolarHBondContact O-N 2.76Å; V407-L439 HydrophobicContact CG1-CD1 3.83Å; V407-A457 HydrophobicContact CG2-CB 3.95Å; V407-E458 VanDerWaalsContact CB-O 3.29Å; V407-E458 WeakPolarHBondContact CB-O 3.43Å; V407-E458 WeakPolarHBondContact CG2-O 3.49Å; V407-E458 PolarHBondContact N-O 2.93Å; V407-E459 HydrophobicContact CB-CB 4.06Å; V407-E459 HydrophobicContact CB-CG 4.16Å; V407-E459 HydrophobicContact CG1-CB 4.45Å; V407-E459 HydrophobicContact CG1-CG 4.16Å; V407-L475 HydrophobicContact CG1-CD1 4.26Å; V407-F477 HydrophobicContact CG2-CZ 4.2Å |
| 408 | A | 94.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -54.4 | -35.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A406 M410 Y412 Y415 T461 | A406-A408 PolarHBondContact O-N 3.48Å; A408-M410 PolarHBondContact O-N 3.08Å; A408-Y412 PolarHBondContact O-N 3.04Å; A408-Y415 HydrophobicContact CB-CD2 4.14Å; A408-Y415 HydrophobicContact CB-CE2 3.93Å; A408-T461 HydrophobicContact CB-CG2 3.67Å |
| 409 | S | 94.3 | Very high | 94.3 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 3% | 0.028 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.3 | -24.1 | 177.6 | 101.1 | 0 | 0 | 0 | 0 | 112.8 | H367 A406 V407 Y415 | H367-S409 VanDerWaalsContact CE1-CB 3.5Å; H367-S409 WeakPolarHBondContact CE1-CB 3.39Å; H367-S409 PolarHBondContact CE1-O 3.41Å; H367-S409 PolarHBondContact NE2-OG 2.83Å; A406-S409 WeakPolarHBondContact O-CA 3.38Å; A406-S409 VanDerWaalsContact O-CB 3.24Å; A406-S409 WeakPolarHBondContact O-CB 3.14Å; A406-S409 PolarHBondContact O-N 3.37Å; A406-S409 PolarHBondContact O-OG 2.91Å; V407-S409 PolarHBondContact O-N 2.76Å; S409-Y415 VanDerWaalsContact CA-CG 3.49Å |
| 410 | M | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -88.6 | -50.1 | 179 | -55.8 | 173.9 | 62.9 | 0 | 0 | 111.1 | P338 Y377 V404 V407 A408 Y412 N432 A435 F438 L439 | P338-M410 HydrophobicContact CB-CE 4.3Å; P338-M410 HydrophobicContact CG-CE 4.02Å; P338-M410 HydrophobicContact CG-SD 4.11Å; Y377-M410 HydrophobicContact CE1-CE 3.86Å; V404-M410 HydrophobicContact CG1-SD 4.06Å; V407-M410 WeakPolarHBondContact O-CB 3.39Å; V407-M410 PolarHBondContact O-N 3.22Å; A408-M410 PolarHBondContact O-N 3.08Å; M410-Y412 VanDerWaalsContact C-N 3.32Å; M410-Y412 PolarHBondContact O-N 2.93Å; M410-N432 WeakPolarHBondContact O-CB 3.43Å; M410-N432 PolarHBondContact O-ND2 3.3Å; M410-A435 HydrophobicContact CB-CB 4.17Å; M410-A435 WeakPolarHBondContact O-CB 3.46Å; M410-F438 HydrophobicContact CE-CD1 3.86Å; M410-F438 HydrophobicContact CE-CE1 3.65Å; M410-L439 HydrophobicContact CE-CD1 4.28Å; M410-L439 HydrophobicContact CE-CD2 3.72Å; M410-L439 HydrophobicContact CE-CG 4.03Å; M410-L439 HydrophobicContact SD-CD2 4.34Å |
| 411 | I | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -80.3 | -8.4 | -169 | 66.2 | 179.7 | 0 | 0 | 0 | 114 | V407 E431 N432 I436 L439 E459 F463 L475 | V407-I411 HydrophobicContact CG1-CD1 4.28Å; V407-I411 HydrophobicContact CG1-CG2 3.97Å; V407-I411 WeakPolarHBondContact O-CG1 3.43Å; V407-I411 PolarHBondContact O-N 2.76Å; I411-E431 CarbonylContact O-C 3.59Å; I411-E431 WeakPolarHBondContact O-CA 3.34Å; I411-N432 PolarHBondContact O-N 3.47Å; I411-I436 HydrophobicContact CB-CD1 4.46Å; I411-I436 HydrophobicContact CB-CG1 3.99Å; I411-I436 HydrophobicContact CG2-CG1 3.84Å; I411-L439 HydrophobicContact CG2-CD1 3.75Å; I411-E459 HydrophobicContact CD1-CG 4.04Å; I411-F463 HydrophobicContact CD1-CB 3.82Å; I411-F463 HydrophobicContact CD1-CD1 4.35Å; I411-F463 HydrophobicContact CD1-CD2 3.62Å; I411-F463 HydrophobicContact CD1-CE2 4.25Å; I411-F463 HydrophobicContact CD1-CG 3.66Å; I411-L475 HydrophobicContact CG2-CD1 4.41Å |
| 412 | Y | 94.9 | Very high | 93.3 | Very high | 14 Ų | 14 | 35.3 Ų | 35.3 | 6% | 0.055 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -117.9 | 126.9 | 177.1 | -72.7 | -68.6 | 0 | 0 | 0 | 112.9 | A408 M410 D414 Y415 R430 T461 | A408-Y412 PolarHBondContact O-N 3.04Å; M410-Y412 VanDerWaalsContact C-N 3.32Å; M410-Y412 PolarHBondContact O-N 2.93Å; Y412-D414 VanDerWaalsContact C-N 3.31Å; Y412-D414 WeakPolarHBondContact CB-OD1 3.11Å; Y412-Y415 WeakPolarHBondContact O-CB 3.49Å; Y412-Y415 PolarHBondContact O-N 3.2Å; Y412-R430 HydrophobicContact CD1-CB 4.41Å; Y412-R430 HydrophobicContact CD1-CG 3.75Å; Y412-R430 HydrophobicContact CE1-CG 3.93Å; Y412-R430 VanDerWaalsContact CE1-NE 3.31Å; Y412-T461 HydrophobicContact CD2-CG2 4.34Å; Y412-T461 HydrophobicContact CE2-CG2 4.1Å; Y412-T461 WeakPolarHBondContact CE2-OG1 3.48Å |
| 413 | R | 93.8 | Very high | 92.9 | Very high | 15 Ų | 15 | 37.4 Ų | 37.4 | 6% | 0.057 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -23.6 | 175.7 | -59.4 | 176.1 | 67.2 | 83.4 | -3.5 | 111.7 | E364 R417 W422 I423 R430 E431 N432 E434 | E364-R413 VanDerWaalsContact CD-CZ 3.5Å; E364-R413 IonicContact OE1-NH2 2.77Å; E364-R413 PolarHBondContact OE1-NH2 2.92Å; E364-R413 IonicContact OE2-CZ 2.81Å; E364-R413 IonicContact OE2-NH1 3.16Å; E364-R413 PolarHBondContact OE2-NH1 3.06Å; E364-R413 IonicContact OE2-NH2 3.33Å; E364-R413 PolarHBondContact OE2-NH2 3.4Å; R413-R417 WeakPolarHBondContact O-CD 3.42Å; R413-R417 PolarHBondContact O-NH1 3.39Å; R413-W422 HydrophobicContact CB-CE3 4.04Å; R413-W422 WeakPolarHBondContact O-CB 3.01Å; R413-I423 PolarHBondContact NE-O 3.09Å; R413-R430 WeakPolarHBondContact CB-O 3.33Å; R413-R430 PolarHBondContact N-O 3.11Å; R413-E431 WeakPolarHBondContact CD-O 3.3Å; R413-N432 HydrophobicContact CG-CB 3.71Å; R413-E434 IonicContact NH1-OE2 3.44Å |
| 414 | D | 92.8 | Very high | 92.6 | Very high | 37 Ų | 37 | 40.2 Ų | 40.2 | 20% | 0.198 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 3.4 | 175.8 | 68.4 | -24.6 | 0 | 0 | 0 | 113.8 | Y412 S416 R417 W422 R430 | Y412-D414 VanDerWaalsContact C-N 3.31Å; Y412-D414 WeakPolarHBondContact CB-OD1 3.11Å; D414-S416 PolarHBondContact O-N 3.05Å; D414-S416 VanDerWaalsContact O-N 3.09Å; D414-R417 PolarHBondContact O-N 3.09Å; D414-W422 HydrophobicContact CB-CD2 3.57Å; D414-W422 HydrophobicContact CB-CE3 4.02Å; D414-W422 HydrophobicContact CB-CG 3.78Å; D414-W422 HydrophobicContact CB-CZ2 4.17Å; D414-W422 HydrophobicContact CB-CZ3 4.48Å; D414-R430 HydrophobicContact CB-CB 4.49Å; D414-R430 VanDerWaalsContact OD2-CD 3.28Å; D414-R430 WeakPolarHBondContact OD2-CD 3.46Å; D414-R430 IonicContact OD2-NH1 3.63Å |
| 415 | Y | 91.6 | Very high | 92.3 | Very high | 57 Ų | 57 | 40.9 Ų | 40.9 | 22% | 0.224 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 118 | -177.3 | -174.1 | -92.5 | 0 | 0 | 0 | 112.4 | H367 W370 A408 S409 Y412 R417 | H367-Y415 AromaticContact CE1-CD1 3.78Å; H367-Y415 AromaticContact ND1-CD1 3.88Å; W370-Y415 AromaticContact CH2-CE1 3.86Å; W370-Y415 HydrophobicContact CH2-CE1 3.86Å; W370-Y415 AromaticContact CZ2-CE1 3.76Å; W370-Y415 HydrophobicContact CZ2-CE1 3.76Å; W370-Y415 WeakPolarHBondContact CZ2-OH 3.42Å; A408-Y415 HydrophobicContact CB-CD2 4.14Å; A408-Y415 HydrophobicContact CB-CE2 3.93Å; S409-Y415 VanDerWaalsContact CA-CG 3.49Å; Y412-Y415 WeakPolarHBondContact O-CB 3.49Å; Y412-Y415 PolarHBondContact O-N 3.2Å; Y415-R417 PolarHBondContact O-N 2.86Å |
| 416 | S | 88.6 | Confident | 92 | Very high | 59 Ų | 59 | 45.4 Ų | 45.4 | 41% | 0.413 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 34.2 | -175.2 | -120 | 0 | 0 | 0 | 0 | 114.8 | D369 D414 | D369-S416 WeakPolarHBondContact OD2-CB 3.37Å; D369-S416 PolarHBondContact OD2-OG 3.27Å; D414-S416 PolarHBondContact O-N 3.05Å; D414-S416 VanDerWaalsContact O-N 3.09Å |
| 417 | R | 89.4 | Confident | 91.7 | Very high | 25 Ų | 25 | 50.1 Ų | 50.1 | 9% | 0.094 | 26% | 0.256 | C | S | . | . | trans | -123.7 | 143.3 | 176.8 | -66.5 | 174.1 | -174 | 120.1 | -2.2 | 110.7 | R363 Y366 R413 D414 Y415 E421 W422 | R363-R417 WeakPolarHBondContact O-CD 3.36Å; R363-R417 PolarHBondContact O-NE 3.33Å; R363-R417 PolarHBondContact O-NH1 2.95Å; R363-R417 PolarHBondContact O-NH2 3.39Å; Y366-R417 PolarHBondContact O-NH2 2.9Å; R413-R417 WeakPolarHBondContact O-CD 3.42Å; R413-R417 PolarHBondContact O-NH1 3.39Å; D414-R417 PolarHBondContact O-N 3.09Å; Y415-R417 PolarHBondContact O-N 2.86Å; R417-E421 HydrophobicContact CB-CB 4.44Å; R417-W422 HydrophobicContact CB-CB 4.15Å | ||
| 418 | K | 88 | Confident | 91.2 | Very high | 149 Ų | 149 | 52.8 Ų | 52.8 | 65% | 0.648 | 28% | 0.284 | S | S | * | . | trans | -79.7 | 160.8 | 175.1 | -64.3 | 172.5 | -169.9 | 154.5 | 0 | 110.5 | G420 E421 | K418-G420 PolarHBondContact O-N 3.28Å; K418-E421 HydrophobicContact CB-CG 4.28Å; K418-E421 WeakPolarHBondContact O-CB 3.41Å; K418-E421 PolarHBondContact O-N 3.45Å | ||
| 419 | E | 86.9 | Confident | 90.9 | Very high | 166 Ų | 166 | 53.8 Ų | 53.8 | 78% | 0.776 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 128.8 | 170.5 | -172.8 | 59.6 | -162.2 | 0 | 0 | 111.1 | ||
| 420 | G | 88 | Confident | 90.9 | Very high | 63 Ų | 63 | 58.5 Ų | 58.5 | 65% | 0.649 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | -6.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | K418 | K418-G420 PolarHBondContact O-N 3.28Š|
| 421 | E | 91 | Very high | 90.8 | Very high | 64 Ų | 64 | 61.5 Ų | 61.5 | 30% | 0.299 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -102.3 | 5.3 | 176.9 | -60 | -177.7 | -170.1 | 0 | 0 | 113.5 | R363 Q368 R417 K418 | R363-E421 WeakPolarHBondContact CB-O 3.44Å; R363-E421 WeakPolarHBondContact CG-O 3.37Å; Q368-E421 PolarHBondContact NE2-OE2 3.4Å; Q368-E421 PolarHBondContact OE1-OE2 2.88Å; R417-E421 HydrophobicContact CB-CB 4.44Å; K418-E421 HydrophobicContact CB-CG 4.28Å; K418-E421 WeakPolarHBondContact O-CB 3.41Å; K418-E421 PolarHBondContact O-N 3.45Å |
| 422 | W | 93.6 | Very high | 90.7 | Very high | 44 Ų | 44 | 62.3 Ų | 62.3 | 17% | 0.167 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -133.7 | 166.3 | 175.3 | 67.9 | -80.3 | 0 | 0 | 0 | 110.5 | R413 D414 R417 P424 R430 | R413-W422 HydrophobicContact CB-CE3 4.04Å; R413-W422 WeakPolarHBondContact O-CB 3.01Å; D414-W422 HydrophobicContact CB-CD2 3.57Å; D414-W422 HydrophobicContact CB-CE3 4.02Å; D414-W422 HydrophobicContact CB-CG 3.78Å; D414-W422 HydrophobicContact CB-CZ2 4.17Å; D414-W422 HydrophobicContact CB-CZ3 4.48Å; R417-W422 HydrophobicContact CB-CB 4.15Å; W422-P424 HydrophobicContact CH2-CB 4.32Å; W422-P424 VanDerWaalsContact CZ3-CA 3.5Å; W422-P424 HydrophobicContact CZ3-CB 3.93Å; W422-R430 HydrophobicContact CH2-CB 3.71Å; W422-R430 HydrophobicContact CZ3-CB 3.76Å |
| 423 | I | 91 | Very high | 90.8 | Very high | 45 Ų | 45 | 64.2 Ų | 64.2 | 23% | 0.231 | 34% | 0.34 | C | S | . | . | trans | -120.4 | 131.7 | 178.3 | -46 | 171.9 | 0 | 0 | 0 | 108.3 | D361 R363 R413 | D361-I423 WeakPolarHBondContact OD2-CD1 3.22Å; R363-I423 HydrophobicContact CB-CG1 4.36Å; R363-I423 VanDerWaalsContact CZ-CG1 3.44Å; R413-I423 PolarHBondContact NE-O 3.09Å | ||
| 424 | P | 91.8 | Very high | 90.8 | Very high | 59 Ų | 59 | 67.3 Ų | 67.3 | 38% | 0.383 | 36% | 0.355 | S | S | . | . | trans | -62.6 | 158.4 | 172.5 | 27.6 | -34.3 | 0 | 0 | 0 | 112.6 | W422 G429 | W422-P424 HydrophobicContact CH2-CB 4.32Å; W422-P424 VanDerWaalsContact CZ3-CA 3.5Å; W422-P424 HydrophobicContact CZ3-CB 3.93Å; P424-G429 CarbonylContact C-O 3.56Å; P424-G429 VanDerWaalsContact CA-O 3.25Å; P424-G429 WeakPolarHBondContact CA-O 3.19Å; P424-G429 WeakPolarHBondContact CB-O 3.37Å | ||
| 425 | N | 91.9 | Very high | 91 | Very high | 16 Ų | 16 | 65.5 Ų | 65.5 | 9% | 0.086 | 35% | 0.346 | C | S | . | . | trans | -65.8 | 174.1 | 168.6 | 64.8 | 41.1 | 0 | 0 | 0 | 110.6 | F427 G428 G429 E431 L433 | N425-F427 PolarHBondContact O-N 2.93Å; N425-F427 WeakPolarHBondContact OD1-CA 3.36Å; N425-F427 WeakPolarHBondContact OD1-CB 3.24Å; N425-F427 PolarHBondContact OD1-N 2.89Å; N425-G428 PolarHBondContact O-N 2.76Å; N425-G428 PolarHBondContact OD1-N 2.96Å; N425-G429 PolarHBondContact N-O 2.8Å; N425-G429 PolarHBondContact ND2-O 3.39Å; N425-G429 PolarHBondContact OD1-N 2.76Å; N425-E431 WeakPolarHBondContact CB-O 3.45Å; N425-E431 PolarHBondContact ND2-O 2.74Å; N425-L433 HydrophobicContact CB-CD1 4.1Å; N425-L433 HydrophobicContact CB-CG 4.15Å | ||
| 426 | E | 88 | Confident | 91.2 | Very high | 129 Ų | 129 | 63.2 Ų | 63.2 | 60% | 0.603 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -14 | -177.5 | 61.5 | 175 | 148.7 | 0 | 0 | 114.9 | L433 R1060 | E426-L433 HydrophobicContact CG-CD1 4.34Å; E426-R1060 IonicContact OE1-NH2 3.74Å; E426-R1060 PolarHBondContact OE1-NH2 3.29Å; E426-R1060 IonicContact OE2-CZ 3.86Å; E426-R1060 IonicContact OE2-NH1 3.45Å; E426-R1060 PolarHBondContact OE2-NH1 2.92Å; E426-R1060 IonicContact OE2-NH2 2.67Å; E426-R1060 PolarHBondContact OE2-NH2 2.88Å |
| 427 | F | 86.2 | Confident | 91.5 | Very high | 106 Ų | 106 | 64.4 Ų | 64.4 | 47% | 0.465 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 4.2 | 174.4 | -55.2 | -81 | 0 | 0 | 0 | 113.6 | N425 G429 L433 R1060 | N425-F427 PolarHBondContact O-N 2.93Å; N425-F427 WeakPolarHBondContact OD1-CA 3.36Å; N425-F427 WeakPolarHBondContact OD1-CB 3.24Å; N425-F427 PolarHBondContact OD1-N 2.89Å; F427-G429 VanDerWaalsContact C-N 3.34Å; F427-L433 HydrophobicContact CD2-CD1 3.67Å; F427-L433 HydrophobicContact CE2-CD1 3.59Å; F427-R1060 VanDerWaalsContact CE1-NE 3.27Å; F427-R1060 VanDerWaalsContact CE1-NH1 3.26Å |
| 428 | G | 86 | Confident | 91.9 | Very high | 57 Ų | 57 | 63.4 Ų | 63.4 | 59% | 0.588 | 33% | 0.332 | S | S | * | . | S | Bend | trans | 84.8 | 1.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | N425 | N425-G428 PolarHBondContact O-N 2.76Å; N425-G428 PolarHBondContact OD1-N 2.96Å |
| 429 | G | 88 | Confident | 92.3 | Very high | 20 Ų | 20 | 56.4 Ų | 56.4 | 21% | 0.206 | 30% | 0.302 | C | S | . | . | trans | -84.6 | 169.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | P424 N425 F427 E431 | P424-G429 CarbonylContact C-O 3.56Å; P424-G429 VanDerWaalsContact CA-O 3.25Å; P424-G429 WeakPolarHBondContact CA-O 3.19Å; P424-G429 WeakPolarHBondContact CB-O 3.37Å; N425-G429 PolarHBondContact N-O 2.8Å; N425-G429 PolarHBondContact ND2-O 3.39Å; N425-G429 PolarHBondContact OD1-N 2.76Å; F427-G429 VanDerWaalsContact C-N 3.34Å; G429-E431 WeakPolarHBondContact CA-OE2 3.4Å | ||
| 430 | R | 94.2 | Very high | 92.7 | Very high | 104 Ų | 104 | 51.2 Ų | 51.2 | 39% | 0.392 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -90.6 | -7.9 | 176.2 | 60.6 | 171 | -176.1 | 167.6 | 8.2 | 113.8 | Y412 R413 D414 W422 | Y412-R430 HydrophobicContact CD1-CB 4.41Å; Y412-R430 HydrophobicContact CD1-CG 3.75Å; Y412-R430 HydrophobicContact CE1-CG 3.93Å; Y412-R430 VanDerWaalsContact CE1-NE 3.31Å; R413-R430 WeakPolarHBondContact CB-O 3.33Å; R413-R430 PolarHBondContact N-O 3.11Å; D414-R430 HydrophobicContact CB-CB 4.49Å; D414-R430 VanDerWaalsContact OD2-CD 3.28Å; D414-R430 WeakPolarHBondContact OD2-CD 3.46Å; D414-R430 IonicContact OD2-NH1 3.63Å; W422-R430 HydrophobicContact CH2-CB 3.71Å; W422-R430 HydrophobicContact CZ3-CB 3.76Å |
| 431 | E | 94.7 | Very high | 93 | Very high | 62 Ų | 62 | 50.1 Ų | 50.1 | 29% | 0.29 | 26% | 0.255 | S | S | . | . | B | Isolated β-bridge | trans | -69.4 | 132.3 | -177.7 | -62.7 | 67.2 | -146.1 | 0 | 0 | 110 | I411 R413 N425 G429 L433 I436 | I411-E431 CarbonylContact O-C 3.59Å; I411-E431 WeakPolarHBondContact O-CA 3.34Å; R413-E431 WeakPolarHBondContact CD-O 3.3Å; N425-E431 WeakPolarHBondContact CB-O 3.45Å; N425-E431 PolarHBondContact ND2-O 2.74Å; G429-E431 WeakPolarHBondContact CA-OE2 3.4Å; E431-L433 HydrophobicContact CB-CD2 4.27Å; E431-L433 PolarHBondContact O-N 3.13Å; E431-I436 HydrophobicContact CB-CD1 3.95Å |
| 432 | N | 95.1 | Very high | 93.2 | Very high | 17 Ų | 17 | 47.2 Ų | 47.2 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | trans | -85.8 | 91.4 | 173.5 | -172.7 | -11.1 | 0 | 0 | 0 | 109 | M410 I411 R413 E434 A435 I436 | M410-N432 WeakPolarHBondContact O-CB 3.43Å; M410-N432 PolarHBondContact O-ND2 3.3Å; I411-N432 PolarHBondContact O-N 3.47Å; R413-N432 HydrophobicContact CG-CB 3.71Å; N432-E434 VanDerWaalsContact C-N 3.27Å; N432-E434 PolarHBondContact O-N 3.22Å; N432-E434 PolarHBondContact OD1-OE2 2.96Å; N432-A435 HydrophobicContact CB-CB 3.99Å; N432-A435 PolarHBondContact O-N 3.38Å; N432-A435 PolarHBondContact OD1-N 3.29Å; N432-I436 WeakPolarHBondContact O-CG1 3.45Å; N432-I436 PolarHBondContact O-N 3.12Å | ||
| 433 | L | 95.4 | Very high | 93.4 | Very high | 54 Ų | 54 | 45.3 Ų | 45.3 | 28% | 0.283 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.6 | -36.2 | -172 | -59 | 180 | 0 | 0 | 0 | 112.1 | N425 E426 F427 E431 I436 E437 | N425-L433 HydrophobicContact CB-CD1 4.1Å; N425-L433 HydrophobicContact CB-CG 4.15Å; E426-L433 HydrophobicContact CG-CD1 4.34Å; F427-L433 HydrophobicContact CD2-CD1 3.67Å; F427-L433 HydrophobicContact CE2-CD1 3.59Å; E431-L433 HydrophobicContact CB-CD2 4.27Å; E431-L433 PolarHBondContact O-N 3.13Å; L433-I436 PolarHBondContact O-N 2.66Å; L433-E437 WeakPolarHBondContact O-CB 3.44Å; L433-E437 PolarHBondContact O-N 2.73Å |
| 434 | E | 95.5 | Very high | 93.5 | Very high | 80 Ų | 80 | 47.7 Ų | 47.7 | 37% | 0.374 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.7 | -41.7 | 178.1 | -61.7 | 85.8 | 166 | 0 | 0 | 111.6 | R413 N432 F438 | R413-E434 IonicContact NH1-OE2 3.44Å; N432-E434 VanDerWaalsContact C-N 3.27Å; N432-E434 PolarHBondContact O-N 3.22Å; N432-E434 PolarHBondContact OD1-OE2 2.96Å; E434-F438 VanDerWaalsContact O-CB 3.32Å; E434-F438 WeakPolarHBondContact O-CB 3.32Å; E434-F438 PolarHBondContact O-N 3.08Å |
| 435 | A | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.6 | -41.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y377 M410 N432 F438 L439 | Y377-A435 HydrophobicContact CD2-CB 3.57Å; Y377-A435 HydrophobicContact CE2-CB 3.83Å; Y377-A435 HydrophobicContact CG-CB 4.11Å; M410-A435 HydrophobicContact CB-CB 4.17Å; M410-A435 WeakPolarHBondContact O-CB 3.46Å; N432-A435 HydrophobicContact CB-CB 3.99Å; N432-A435 PolarHBondContact O-N 3.38Å; N432-A435 PolarHBondContact OD1-N 3.29Å; A435-F438 PolarHBondContact O-N 2.93Å; A435-L439 WeakPolarHBondContact O-CG 3.23Å; A435-L439 PolarHBondContact O-N 2.94Å |
| 436 | I | 96.3 | Very high | 93.7 | Very high | 9 Ų | 9 | 44.9 Ų | 44.9 | 5% | 0.046 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60 | -47 | 175.8 | -72.5 | 168 | 0 | 0 | 0 | 110.3 | I411 E431 N432 L433 L439 R440 F463 L475 | I411-I436 HydrophobicContact CB-CD1 4.46Å; I411-I436 HydrophobicContact CB-CG1 3.99Å; I411-I436 HydrophobicContact CG2-CG1 3.84Å; E431-I436 HydrophobicContact CB-CD1 3.95Å; N432-I436 WeakPolarHBondContact O-CG1 3.45Å; N432-I436 PolarHBondContact O-N 3.12Å; L433-I436 PolarHBondContact O-N 2.66Å; I436-L439 PolarHBondContact O-N 2.91Å; I436-R440 WeakPolarHBondContact O-CB 3.42Å; I436-R440 WeakPolarHBondContact O-CG 3.35Å; I436-R440 PolarHBondContact O-N 3.15Å; I436-F463 HydrophobicContact CD1-CE2 4.23Å; I436-F463 HydrophobicContact CD1-CZ 4.18Å; I436-L475 HydrophobicContact CB-CD2 4.43Å; I436-L475 HydrophobicContact CG1-CD2 4.34Å; I436-L475 HydrophobicContact CG2-CD2 3.85Å |
| 437 | E | 95.1 | Very high | 93.9 | Very high | 84 Ų | 84 | 40.3 Ų | 40.3 | 39% | 0.393 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.9 | -40.5 | 178.3 | -174.1 | 56.2 | -155 | 0 | 0 | 111.7 | L433 L439 R440 N441 | L433-E437 WeakPolarHBondContact O-CB 3.44Å; L433-E437 PolarHBondContact O-N 2.73Å; E437-L439 PolarHBondContact O-N 2.8Å; E437-R440 PolarHBondContact O-N 2.91Å; E437-N441 WeakPolarHBondContact O-CB 3.48Å; E437-N441 PolarHBondContact O-N 2.79Å |
| 438 | F | 96.4 | Very high | 94.1 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 1% | 0.013 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.2 | -47.7 | 173.2 | 160.5 | -106.1 | 0 | 0 | 0 | 112.5 | W336 P338 Y377 L386 V387 M410 E434 A435 N441 T442 | W336-F438 HydrophobicContact CH2-CE1 4.4Å; W336-F438 HydrophobicContact CH2-CE2 4.44Å; W336-F438 AromaticContact CH2-CZ 3.63Å; W336-F438 HydrophobicContact CH2-CZ 3.63Å; W336-F438 HydrophobicContact CZ2-CZ 4.38Å; W336-F438 HydrophobicContact CZ3-CZ 4.41Å; P338-F438 HydrophobicContact CB-CE1 3.93Å; P338-F438 HydrophobicContact CB-CZ 3.97Å; P338-F438 HydrophobicContact CG-CE1 4.48Å; Y377-F438 HydrophobicContact CD1-CB 4.2Å; Y377-F438 AromaticContact CD1-CD1 3.61Å; Y377-F438 HydrophobicContact CD1-CD1 3.61Å; Y377-F438 HydrophobicContact CD1-CE1 4.12Å; Y377-F438 AromaticContact CD1-CG 3.85Å; Y377-F438 HydrophobicContact CD1-CG 3.85Å; Y377-F438 AromaticContact CE1-CD1 3.9Å; Y377-F438 HydrophobicContact CE1-CD1 3.9Å; Y377-F438 HydrophobicContact CE1-CE1 4.04Å; Y377-F438 HydrophobicContact CG-CB 4.44Å; Y377-F438 HydrophobicContact CG-CD1 4.49Å; L386-F438 HydrophobicContact CB-CE2 3.5Å; L386-F438 HydrophobicContact CB-CZ 3.59Å; L386-F438 HydrophobicContact CD1-CE1 4.31Å; L386-F438 HydrophobicContact CD1-CE2 4.01Å; L386-F438 HydrophobicContact CD1-CZ 3.75Å; L386-F438 HydrophobicContact CG-CE2 4.42Å; L386-F438 HydrophobicContact CG-CZ 4.31Å; V387-F438 HydrophobicContact CG2-CD2 4.27Å; V387-F438 HydrophobicContact CG2-CE2 4Å; M410-F438 HydrophobicContact CE-CD1 3.86Å; M410-F438 HydrophobicContact CE-CE1 3.65Å; E434-F438 VanDerWaalsContact O-CB 3.32Å; E434-F438 WeakPolarHBondContact O-CB 3.32Å; E434-F438 PolarHBondContact O-N 3.08Å; A435-F438 PolarHBondContact O-N 2.93Å; F438-N441 PolarHBondContact O-N 2.9Å; F438-T442 WeakPolarHBondContact CE2-OG1 3.43Å; F438-T442 WeakPolarHBondContact O-CB 3.16Å; F438-T442 PolarHBondContact O-N 3.49Å; F438-T442 PolarHBondContact O-OG1 3.24Å |
| 439 | L | 97.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.9 | -47.3 | 179.5 | -72.6 | 174.1 | 0 | 0 | 0 | 111.5 | V407 M410 I411 A435 I436 E437 N441 T442 N443 F477 | V407-L439 HydrophobicContact CG1-CD1 3.83Å; M410-L439 HydrophobicContact CE-CD1 4.28Å; M410-L439 HydrophobicContact CE-CD2 3.72Å; M410-L439 HydrophobicContact CE-CG 4.03Å; M410-L439 HydrophobicContact SD-CD2 4.34Å; I411-L439 HydrophobicContact CG2-CD1 3.75Å; A435-L439 WeakPolarHBondContact O-CG 3.23Å; A435-L439 PolarHBondContact O-N 2.94Å; I436-L439 PolarHBondContact O-N 2.91Å; E437-L439 PolarHBondContact O-N 2.8Å; L439-N441 PolarHBondContact O-N 2.96Å; L439-T442 PolarHBondContact O-N 3.01Å; L439-N443 WeakPolarHBondContact O-CB 3.49Å; L439-N443 PolarHBondContact O-N 3.33Å; L439-N443 PolarHBondContact O-ND2 2.58Å; L439-F477 HydrophobicContact CB-CE2 4.48Å; L439-F477 HydrophobicContact CD1-CE2 4.34Å; L439-F477 HydrophobicContact CD2-CE2 4.32Å; L439-F477 HydrophobicContact CD2-CZ 3.9Å |
| 440 | R | 95.8 | Very high | 94.6 | Very high | 58 Ų | 58 | 41.2 Ų | 41.2 | 22% | 0.219 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.5 | -51.1 | 176 | -78.2 | 173.4 | 169.3 | 160.8 | 2.9 | 111.6 | I436 E437 T442 N443 R444 Q470 G473 G474 L475 | I436-R440 WeakPolarHBondContact O-CB 3.42Å; I436-R440 WeakPolarHBondContact O-CG 3.35Å; I436-R440 PolarHBondContact O-N 3.15Å; E437-R440 PolarHBondContact O-N 2.91Å; R440-T442 VanDerWaalsContact C-N 3.35Å; R440-T442 PolarHBondContact O-N 2.9Å; R440-N443 PolarHBondContact O-N 2.77Å; R440-R444 WeakPolarHBondContact O-CB 3.44Å; R440-R444 PolarHBondContact O-N 3.16Å; R440-Q470 HydrophobicContact CB-CG 4.2Å; R440-Q470 HydrophobicContact CG-CG 4.15Å; R440-G473 PolarHBondContact NH2-O 2.99Å; R440-G474 WeakPolarHBondContact CG-O 3.45Å; R440-G474 PolarHBondContact NE-O 2.74Å; R440-L475 HydrophobicContact CG-CD2 4.48Å |
| 441 | N | 94.1 | Very high | 94 | Very high | 40 Ų | 40 | 40.1 Ų | 40.1 | 21% | 0.214 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.7 | -41.5 | -179.9 | -173.8 | 49.5 | 0 | 0 | 0 | 111.9 | E437 F438 L439 R444 I445 | E437-N441 WeakPolarHBondContact O-CB 3.48Å; E437-N441 PolarHBondContact O-N 2.79Å; F438-N441 PolarHBondContact O-N 2.9Å; L439-N441 PolarHBondContact O-N 2.96Å; N441-R444 PolarHBondContact O-N 3.14Å; N441-R444 PolarHBondContact OD1-NH2 3.19Å; N441-I445 WeakPolarHBondContact O-CB 3.43Å; N441-I445 VanDerWaalsContact O-CG1 3.22Å; N441-I445 WeakPolarHBondContact O-CG1 3.27Å; N441-I445 PolarHBondContact O-N 3Å |
| 442 | T | 95.7 | Very high | 93.7 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.2 | -51.2 | 176.4 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | W336 V387 A390 F438 L439 R440 R444 I445 L446 | W336-T442 HydrophobicContact CH2-CG2 3.93Å; W336-T442 HydrophobicContact CZ3-CG2 4Å; V387-T442 WeakPolarHBondContact CG2-OG1 3.24Å; A390-T442 HydrophobicContact CB-CG2 4.1Å; F438-T442 WeakPolarHBondContact CE2-OG1 3.43Å; F438-T442 WeakPolarHBondContact O-CB 3.16Å; F438-T442 PolarHBondContact O-N 3.49Å; F438-T442 PolarHBondContact O-OG1 3.24Å; L439-T442 PolarHBondContact O-N 3.01Å; R440-T442 VanDerWaalsContact C-N 3.35Å; R440-T442 PolarHBondContact O-N 2.9Å; T442-R444 PolarHBondContact O-N 3.42Å; T442-I445 PolarHBondContact O-N 2.95Å; T442-L446 HydrophobicContact CG2-CD1 4.25Å; T442-L446 WeakPolarHBondContact O-CG 3.24Å; T442-L446 PolarHBondContact O-N 3.43Å |
| 443 | N | 96.2 | Very high | 93.5 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 3% | 0.027 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.4 | -41.9 | -179 | -76.8 | -33.6 | 0 | 0 | 0 | 112.4 | L439 R440 L446 G447 T455 L475 G476 F477 W478 | L439-N443 WeakPolarHBondContact O-CB 3.49Å; L439-N443 PolarHBondContact O-N 3.33Å; L439-N443 PolarHBondContact O-ND2 2.58Å; R440-N443 PolarHBondContact O-N 2.77Å; N443-L446 PolarHBondContact O-N 2.97Å; N443-G447 PolarHBondContact O-N 2.99Å; N443-T455 WeakPolarHBondContact OD1-CB 3.3Å; N443-T455 VanDerWaalsContact OD1-CG2 3.29Å; N443-T455 WeakPolarHBondContact OD1-CG2 3.47Å; N443-T455 PolarHBondContact OD1-OG1 2.9Å; N443-L475 PolarHBondContact ND2-O 2.84Å; N443-G476 WeakPolarHBondContact CB-O 3.42Å; N443-F477 WeakPolarHBondContact ND2-CD2 3.32Å; N443-F477 PolarHBondContact ND2-N 3.46Å; N443-W478 HydrophobicContact CB-CZ3 4.34Å |
| 444 | R | 93.9 | Very high | 93.6 | Very high | 95 Ų | 95 | 35 Ų | 35 | 36% | 0.358 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59.5 | -50 | 174.2 | -175.8 | -175.1 | 63.3 | 73.2 | 3.7 | 111.5 | R440 N441 T442 L446 G447 E448 | R440-R444 WeakPolarHBondContact O-CB 3.44Å; R440-R444 PolarHBondContact O-N 3.16Å; N441-R444 PolarHBondContact O-N 3.14Å; N441-R444 PolarHBondContact OD1-NH2 3.19Å; T442-R444 PolarHBondContact O-N 3.42Å; R444-L446 VanDerWaalsContact C-N 3.32Å; R444-L446 PolarHBondContact O-N 3.03Å; R444-G447 PolarHBondContact O-N 2.9Å; R444-E448 VanDerWaalsContact CG-OE1 3.28Å; R444-E448 WeakPolarHBondContact CG-OE1 3.31Å; R444-E448 IonicContact CZ-OE1 2.63Å; R444-E448 IonicContact NH1-OE1 3.92Å; R444-E448 PolarHBondContact NH1-OE1 3.14Å; R444-E448 IonicContact NH1-OE2 3.34Å; R444-E448 PolarHBondContact NH1-OE2 3.29Å; R444-E448 WeakPolarHBondContact O-CG 3.01Å; R444-E448 PolarHBondContact O-N 3.28Å |
| 445 | I | 94.5 | Very high | 93.7 | Very high | 13 Ų | 13 | 31.4 Ų | 31.4 | 7% | 0.067 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 179.6 | -73 | 169 | 0 | 0 | 0 | 111.1 | L119 V387 L391 N441 T442 E448 Q449 | L119-I445 HydrophobicContact CD2-CD1 4.29Å; L119-I445 HydrophobicContact CD2-CG1 4.47Å; L119-I445 HydrophobicContact CD2-CG2 3.88Å; V387-I445 HydrophobicContact CG1-CB 4.49Å; V387-I445 HydrophobicContact CG1-CD1 3.71Å; V387-I445 HydrophobicContact CG1-CG2 4.12Å; L391-I445 HydrophobicContact CD1-CG2 3.78Å; L391-I445 HydrophobicContact CD2-CG2 4.49Å; L391-I445 HydrophobicContact CG-CG2 4.33Å; N441-I445 WeakPolarHBondContact O-CB 3.43Å; N441-I445 VanDerWaalsContact O-CG1 3.22Å; N441-I445 WeakPolarHBondContact O-CG1 3.27Å; N441-I445 PolarHBondContact O-N 3Å; T442-I445 PolarHBondContact O-N 2.95Å; I445-E448 PolarHBondContact O-N 2.79Å; I445-Q449 HydrophobicContact CG2-CG 3.96Å; I445-Q449 VanDerWaalsContact O-CB 3.24Å; I445-Q449 WeakPolarHBondContact O-CB 3.31Å; I445-Q449 VanDerWaalsContact O-CG 3.22Å; I445-Q449 WeakPolarHBondContact O-CG 3.15Å; I445-Q449 PolarHBondContact O-N 2.87Å |
| 446 | L | 94.5 | Very high | 93.8 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.6 | -46.6 | 176.1 | -69.1 | 179.1 | 0 | 0 | 0 | 111.5 | A390 L391 I394 L402 T442 N443 R444 E448 Q449 V450 T455 | A390-L446 HydrophobicContact CB-CD1 4.31Å; A390-L446 HydrophobicContact CB-CD2 4.29Å; L391-L446 HydrophobicContact CD2-CD2 3.74Å; L391-L446 HydrophobicContact CG-CD2 4.07Å; I394-L446 HydrophobicContact CD1-CD1 4.07Å; I394-L446 HydrophobicContact CD1-CD2 3.52Å; I394-L446 HydrophobicContact CD1-CG 4.35Å; L402-L446 HydrophobicContact CD1-CD1 4.22Å; T442-L446 HydrophobicContact CG2-CD1 4.25Å; T442-L446 WeakPolarHBondContact O-CG 3.24Å; T442-L446 PolarHBondContact O-N 3.43Å; N443-L446 PolarHBondContact O-N 2.97Å; R444-L446 VanDerWaalsContact C-N 3.32Å; R444-L446 PolarHBondContact O-N 3.03Å; L446-E448 VanDerWaalsContact C-N 3.28Å; L446-E448 PolarHBondContact O-N 2.98Å; L446-Q449 PolarHBondContact O-N 3.35Å; L446-V450 HydrophobicContact CB-CG2 4.26Å; L446-V450 HydrophobicContact CD2-CG2 3.91Å; L446-V450 WeakPolarHBondContact O-CG2 3.47Å; L446-V450 PolarHBondContact O-N 2.61Å; L446-T455 HydrophobicContact CD1-CG2 3.47Å; L446-T455 VanDerWaalsContact CD1-CG2 3.47Å |
| 447 | G | 90.8 | Very high | 93.9 | Very high | 32 Ų | 32 | 31 Ų | 31 | 33% | 0.33 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -58.8 | -37.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | N443 R444 | N443-G447 PolarHBondContact O-N 2.99Å; R444-G447 PolarHBondContact O-N 2.9Å |
| 448 | E | 91.5 | Very high | 94 | Very high | 114 Ų | 114 | 28 Ų | 28 | 53% | 0.533 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -78.4 | -41.3 | 179.8 | -71.6 | 171.9 | -172.5 | 0 | 0 | 113.3 | R444 I445 L446 | R444-E448 VanDerWaalsContact CG-OE1 3.28Å; R444-E448 WeakPolarHBondContact CG-OE1 3.31Å; R444-E448 IonicContact CZ-OE1 2.63Å; R444-E448 IonicContact NH1-OE1 3.92Å; R444-E448 PolarHBondContact NH1-OE1 3.14Å; R444-E448 IonicContact NH1-OE2 3.34Å; R444-E448 PolarHBondContact NH1-OE2 3.29Å; R444-E448 WeakPolarHBondContact O-CG 3.01Å; R444-E448 PolarHBondContact O-N 3.28Å; I445-E448 PolarHBondContact O-N 2.79Å; L446-E448 VanDerWaalsContact C-N 3.28Å; L446-E448 PolarHBondContact O-N 2.98Å |
| 449 | Q | 93.3 | Very high | 93.9 | Very high | 71 Ų | 71 | 28 Ų | 28 | 33% | 0.332 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -91.4 | -28.6 | -169.5 | -63.3 | -59.9 | -54.4 | 0 | 0 | 113.8 | L119 L391 I445 L446 | L119-Q449 HydrophobicContact CD1-CG 4.17Å; L391-Q449 HydrophobicContact CD2-CB 3.91Å; I445-Q449 HydrophobicContact CG2-CG 3.96Å; I445-Q449 VanDerWaalsContact O-CB 3.24Å; I445-Q449 WeakPolarHBondContact O-CB 3.31Å; I445-Q449 VanDerWaalsContact O-CG 3.22Å; I445-Q449 WeakPolarHBondContact O-CG 3.15Å; I445-Q449 PolarHBondContact O-N 2.87Å; L446-Q449 PolarHBondContact O-N 3.35Å |
| 450 | V | 90.2 | Very high | 93.5 | Very high | 17 Ų | 17 | 30.9 Ų | 30.9 | 10% | 0.103 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -135.6 | 67.6 | -171.9 | -74.2 | 0 | 0 | 0 | 0 | 111 | L391 I394 E395 L446 G452 A453 | L391-V450 HydrophobicContact CD2-CG1 4.26Å; L391-V450 HydrophobicContact CD2-CG2 4.2Å; I394-V450 HydrophobicContact CD1-CG2 4.33Å; I394-V450 HydrophobicContact CG2-CB 3.85Å; I394-V450 HydrophobicContact CG2-CG1 3.92Å; I394-V450 HydrophobicContact CG2-CG2 3.86Å; E395-V450 HydrophobicContact CG-CG1 3.66Å; L446-V450 HydrophobicContact CB-CG2 4.26Å; L446-V450 HydrophobicContact CD2-CG2 3.91Å; L446-V450 WeakPolarHBondContact O-CG2 3.47Å; L446-V450 PolarHBondContact O-N 2.61Å; V450-G452 PolarHBondContact O-N 3.45Å; V450-A453 HydrophobicContact CB-CB 4.27Å; V450-A453 HydrophobicContact CG2-CB 3.89Å; V450-A453 WeakPolarHBondContact O-CB 3.36Å; V450-A453 PolarHBondContact O-N 3.49Å |
| 451 | S | 82.9 | Confident | 93.1 | Very high | 81 Ų | 81 | 30.6 Ų | 30.6 | 57% | 0.566 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.7 | 120.2 | 178 | 179.8 | 0 | 0 | 0 | 0 | 112.3 | K234 | K234-S451 WeakPolarHBondContact CD-O 3.49Å; K234-S451 WeakPolarHBondContact CE-O 3.5Å; K234-S451 WeakPolarHBondContact CG-O 3.49Å |
| 452 | G | 86.8 | Confident | 92.6 | Very high | 18 Ų | 18 | 35.7 Ų | 35.7 | 19% | 0.186 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 105.7 | -20.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | N237 V450 | N237-G452 PolarHBondContact ND2-O 3.46Å; V450-G452 PolarHBondContact O-N 3.45Å |
| 453 | A | 92.3 | Very high | 92.3 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 3% | 0.033 | 21% | 0.208 | C | C | . | . | trans | -73.5 | 143.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | I394 D400 V450 | I394-A453 HydrophobicContact CD1-CB 3.92Å; I394-A453 HydrophobicContact CG1-CB 4.38Å; I394-A453 HydrophobicContact CG2-CB 3.81Å; D400-A453 VanDerWaalsContact O-CA 3.3Å; D400-A453 WeakPolarHBondContact O-CA 3.32Å; V450-A453 HydrophobicContact CB-CB 4.27Å; V450-A453 HydrophobicContact CG2-CB 3.89Å; V450-A453 WeakPolarHBondContact O-CB 3.36Å; V450-A453 PolarHBondContact O-N 3.49Å | ||
| 454 | V | 96.1 | Very high | 91.9 | Very high | 5 Ų | 5 | 41.3 Ų | 41.3 | 3% | 0.03 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 163.7 | -179.6 | -61.7 | 0 | 0 | 0 | 0 | 111 | N237 D400 A401 L402 M456 W478 Y479 | N237-V454 HydrophobicContact CB-CB 4.47Å; N237-V454 HydrophobicContact CB-CG1 3.78Å; N237-V454 HydrophobicContact CB-CG2 3.84Å; D400-V454 PolarHBondContact O-N 3.06Å; A401-V454 CarbonylContact C-O 3.5Å; A401-V454 WeakPolarHBondContact CA-O 3.19Å; A401-V454 HydrophobicContact CB-CG2 3.56Å; A401-V454 VanDerWaalsContact CB-O 3.27Å; A401-V454 WeakPolarHBondContact CB-O 3.45Å; L402-V454 PolarHBondContact N-O 2.8Å; L402-V454 VanDerWaalsContact N-O 3.07Å; V454-M456 HydrophobicContact CG2-CE 4.37Å; V454-W478 HydrophobicContact CB-CB 3.83Å; V454-W478 HydrophobicContact CB-CD2 4.13Å; V454-W478 HydrophobicContact CB-CG 3.74Å; V454-W478 HydrophobicContact CG1-CB 4.16Å; V454-W478 HydrophobicContact CG1-CD2 4.11Å; V454-W478 HydrophobicContact CG1-CG 3.66Å; V454-Y479 HydrophobicContact CB-CE2 4.48Å; V454-Y479 HydrophobicContact CG2-CD2 4.47Å; V454-Y479 HydrophobicContact CG2-CE2 4.17Å |
| 455 | T | 98 | Very high | 91.8 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 147.6 | 174.2 | 57.7 | 0 | 0 | 0 | 0 | 111.7 | L402 N443 L446 F477 W478 Y479 | L402-T455 HydrophobicContact CB-CG2 4.39Å; L402-T455 CarbonylContact O-C 3.31Å; L402-T455 VanDerWaalsContact O-CA 3.23Å; L402-T455 WeakPolarHBondContact O-CA 3.45Å; N443-T455 WeakPolarHBondContact OD1-CB 3.3Å; N443-T455 VanDerWaalsContact OD1-CG2 3.29Å; N443-T455 WeakPolarHBondContact OD1-CG2 3.47Å; N443-T455 PolarHBondContact OD1-OG1 2.9Å; L446-T455 HydrophobicContact CD1-CG2 3.47Å; L446-T455 VanDerWaalsContact CD1-CG2 3.47Å; T455-F477 WeakPolarHBondContact OG1-CD1 3.31Å; T455-W478 PolarHBondContact O-N 3.14Å; T455-Y479 PolarHBondContact O-N 2.84Å; T455-Y479 VanDerWaalsContact O-N 3.17Å |
| 456 | M | 98.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 139.1 | 179 | -49.7 | -166.6 | -177.3 | 0 | 0 | 109.6 | I245 I333 A401 L402 R403 V404 V454 Y479 V520 | I245-M456 HydrophobicContact CD1-CE 4.35Å; I245-M456 HydrophobicContact CD1-SD 4.13Å; I333-M456 HydrophobicContact CD1-CE 3.59Å; I333-M456 HydrophobicContact CD1-SD 4.02Å; A401-M456 HydrophobicContact CB-CE 4.33Å; L402-M456 PolarHBondContact O-N 3.45Å; R403-M456 CarbonylContact C-O 3.39Å; R403-M456 VanDerWaalsContact CA-O 3.3Å; R403-M456 WeakPolarHBondContact CA-O 3.44Å; R403-M456 HydrophobicContact CB-CB 4.21Å; R403-M456 HydrophobicContact CG-CB 4.25Å; V404-M456 PolarHBondContact N-O 2.7Å; V454-M456 HydrophobicContact CG2-CE 4.37Å; M456-Y479 CarbonylContact C-O 3.5Å; M456-Y479 WeakPolarHBondContact CA-O 3.39Å; M456-Y479 HydrophobicContact CE-CD2 3.97Å; M456-Y479 HydrophobicContact CE-CE2 4.39Å; M456-Y479 HydrophobicContact CG-CD2 4.16Å; M456-V520 HydrophobicContact SD-CG2 4.18Å |
| 457 | A | 98.3 | Very high | 92 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 138.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V407 V466 F477 Y479 K480 W481 | V407-A457 HydrophobicContact CG2-CB 3.95Å; A457-V466 HydrophobicContact CB-CG1 3.5Å; A457-V466 VanDerWaalsContact CB-CG1 3.5Å; A457-F477 HydrophobicContact CB-CB 4.31Å; A457-F477 HydrophobicContact CB-CD1 3.74Å; A457-F477 HydrophobicContact CB-CD2 3.84Å; A457-F477 HydrophobicContact CB-CE1 3.9Å; A457-F477 HydrophobicContact CB-CE2 4Å; A457-F477 HydrophobicContact CB-CG 3.7Å; A457-F477 HydrophobicContact CB-CZ 4.02Å; A457-Y479 PolarHBondContact N-O 2.91Å; A457-K480 CarbonylContact O-C 3.47Å; A457-K480 WeakPolarHBondContact O-CA 3.45Å; A457-W481 PolarHBondContact O-N 2.69Å |
| 458 | E | 97.2 | Very high | 92.2 | Very high | 21 Ų | 21 | 38.2 Ų | 38.2 | 10% | 0.098 | 22% | 0.221 | C | C | . | . | trans | -100.6 | 118.7 | 153.9 | -179.3 | -86.2 | 129.7 | 0 | 0 | 108.6 | R403 V404 A406 V407 W481 L483 | R403-E458 IonicContact NH2-OE2 3.25Å; V404-E458 PolarHBondContact O-N 3.45Å; A406-E458 WeakPolarHBondContact CA-OE2 3.3Å; A406-E458 PolarHBondContact N-OE2 3.01Å; V407-E458 VanDerWaalsContact CB-O 3.29Å; V407-E458 WeakPolarHBondContact CB-O 3.43Å; V407-E458 WeakPolarHBondContact CG2-O 3.49Å; V407-E458 PolarHBondContact N-O 2.93Å; E458-W481 HydrophobicContact CB-CB 4.4Å; E458-W481 HydrophobicContact CB-CD2 4.19Å; E458-W481 HydrophobicContact CB-CE3 4.01Å; E458-W481 HydrophobicContact CB-CG 4.39Å; E458-W481 HydrophobicContact CG-CD2 4.41Å; E458-W481 HydrophobicContact CG-CE3 3.78Å; E458-W481 HydrophobicContact CG-CZ3 4.35Å; E458-L483 HydrophobicContact CG-CD1 3.97Å; E458-L483 HydrophobicContact CG-CD2 4.36Å; E458-L483 HydrophobicContact CG-CG 4.49Å; E458-L483 VanDerWaalsContact OE1-CD1 3.27Å; E458-L483 WeakPolarHBondContact OE1-CD1 3.33Å | ||
| 459 | E | 94 | Very high | 92 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 1% | 0.014 | 22% | 0.215 | C | C | . | . | trans | -142.8 | 126.9 | -176.9 | -168.6 | -63.6 | 117.3 | 0 | 0 | 107.3 | V407 I411 T461 F463 V466 K480 | V407-E459 HydrophobicContact CB-CB 4.06Å; V407-E459 HydrophobicContact CB-CG 4.16Å; V407-E459 HydrophobicContact CG1-CB 4.45Å; V407-E459 HydrophobicContact CG1-CG 4.16Å; I411-E459 HydrophobicContact CD1-CG 4.04Å; E459-T461 WeakPolarHBondContact OE1-CA 3.16Å; E459-T461 WeakPolarHBondContact OE1-CB 3.29Å; E459-T461 PolarHBondContact OE1-N 2.73Å; E459-T461 PolarHBondContact OE1-OG1 2.95Å; E459-F463 HydrophobicContact CG-CB 4.2Å; E459-F463 PolarHBondContact OE2-N 3.26Å; E459-F463 VanDerWaalsContact OE2-N 3.13Å; E459-V466 HydrophobicContact CB-CG1 4.46Å; E459-V466 HydrophobicContact CB-CG2 4.22Å; E459-V466 HydrophobicContact CG-CG2 3.98Å; E459-K480 WeakPolarHBondContact O-CE 3.47Å; E459-K480 WeakPolarHBondContact OE2-CE 3.37Å; E459-K480 IonicContact OE2-NZ 3.5Å; E459-K480 PolarHBondContact OE2-NZ 3.16Å | ||
| 460 | S | 90.2 | Very high | 91.4 | Very high | 64 Ų | 64 | 34.4 Ų | 34.4 | 45% | 0.448 | 21% | 0.208 | S | C | . | . | trans | -118 | 13.2 | -161 | 43.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 461 | T | 86.1 | Confident | 90.7 | Very high | 51 Ų | 51 | 39.3 Ų | 39.3 | 31% | 0.313 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -124.9 | 15.2 | -172.1 | 68.7 | 0 | 0 | 0 | 0 | 114.5 | A408 Y412 E459 F463 | A408-T461 HydrophobicContact CB-CG2 3.67Å; Y412-T461 HydrophobicContact CD2-CG2 4.34Å; Y412-T461 HydrophobicContact CE2-CG2 4.1Å; Y412-T461 WeakPolarHBondContact CE2-OG1 3.48Å; E459-T461 WeakPolarHBondContact OE1-CA 3.16Å; E459-T461 WeakPolarHBondContact OE1-CB 3.29Å; E459-T461 PolarHBondContact OE1-N 2.73Å; E459-T461 PolarHBondContact OE1-OG1 2.95Å; T461-F463 VanDerWaalsContact C-N 3.27Å; T461-F463 PolarHBondContact O-N 2.88Å |
| 462 | D | 83.8 | Confident | 90.5 | Very high | 148 Ų | 148 | 41.4 Ų | 41.4 | 79% | 0.791 | 24% | 0.236 | S | C | * | . | trans | 59.7 | 33.1 | -176.6 | -64.2 | -29.3 | 0 | 0 | 0 | 113.8 | ||||
| 463 | F | 89.3 | Confident | 90 | Very high | 24 Ų | 24 | 42.4 Ų | 42.4 | 11% | 0.105 | 25% | 0.247 | C | C | . | . | trans | -60.1 | 129.2 | 171.3 | -168.7 | -87.6 | 0 | 0 | 0 | 109.5 | I411 I436 E459 T461 V466 L475 | I411-F463 HydrophobicContact CD1-CB 3.82Å; I411-F463 HydrophobicContact CD1-CD1 4.35Å; I411-F463 HydrophobicContact CD1-CD2 3.62Å; I411-F463 HydrophobicContact CD1-CE2 4.25Å; I411-F463 HydrophobicContact CD1-CG 3.66Å; I436-F463 HydrophobicContact CD1-CE2 4.23Å; I436-F463 HydrophobicContact CD1-CZ 4.18Å; E459-F463 HydrophobicContact CG-CB 4.2Å; E459-F463 PolarHBondContact OE2-N 3.26Å; E459-F463 VanDerWaalsContact OE2-N 3.13Å; T461-F463 VanDerWaalsContact C-N 3.27Å; T461-F463 PolarHBondContact O-N 2.88Å; F463-V466 HydrophobicContact CB-CG2 4.13Å; F463-V466 HydrophobicContact CD1-CG2 4Å; F463-V466 WeakPolarHBondContact O-CG2 3.36Å; F463-L475 HydrophobicContact CD1-CD1 4.01Å; F463-L475 HydrophobicContact CD1-CG 4.19Å; F463-L475 HydrophobicContact CE1-CD1 4.02Å; F463-L475 HydrophobicContact CE1-CD2 3.85Å; F463-L475 HydrophobicContact CE1-CG 3.79Å; F463-L475 HydrophobicContact CZ-CD2 4.28Å | ||
| 464 | P | 88 | Confident | 89.9 | Confident | 100 Ų | 100 | 42.2 Ų | 42.2 | 65% | 0.649 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | 142.5 | -175.4 | 30.8 | -34.6 | 0 | 0 | 0 | 112.1 | ||
| 465 | G | 92 | Very high | 89.9 | Confident | 16 Ų | 16 | 42 Ų | 42 | 17% | 0.165 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 25.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S467 R468 G474 L475 E517 | G465-S467 VanDerWaalsContact C-N 3.27Å; G465-S467 PolarHBondContact O-N 3.42Å; G465-R468 PolarHBondContact O-N 3.37Å; G465-R468 VanDerWaalsContact O-N 3.15Å; G465-G474 CarbonylContact O-C 3.59Å; G465-G474 WeakPolarHBondContact O-CA 3.43Å; G465-L475 PolarHBondContact O-N 3.35Å; G465-E517 VanDerWaalsContact CA-OE1 3.31Å; G465-E517 WeakPolarHBondContact CA-OE1 3.4Å; G465-E517 PolarHBondContact N-OE1 3.24Å |
| 466 | V | 96.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -45.6 | -179.9 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | A457 E459 F463 L475 F477 K480 E517 | A457-V466 HydrophobicContact CB-CG1 3.5Å; A457-V466 VanDerWaalsContact CB-CG1 3.5Å; E459-V466 HydrophobicContact CB-CG1 4.46Å; E459-V466 HydrophobicContact CB-CG2 4.22Å; E459-V466 HydrophobicContact CG-CG2 3.98Å; F463-V466 HydrophobicContact CB-CG2 4.13Å; F463-V466 HydrophobicContact CD1-CG2 4Å; F463-V466 WeakPolarHBondContact O-CG2 3.36Å; V466-L475 HydrophobicContact CB-CD1 4.49Å; V466-L475 HydrophobicContact CG1-CD1 4.37Å; V466-L475 HydrophobicContact CG2-CD1 4.18Å; V466-F477 HydrophobicContact CG1-CD2 3.98Å; V466-F477 HydrophobicContact CG1-CG 4.49Å; V466-F477 WeakPolarHBondContact O-CB 3.45Å; V466-F477 PolarHBondContact O-N 3.2Å; V466-F477 VanDerWaalsContact O-N 3.16Å; V466-K480 HydrophobicContact CB-CD 3.96Å; V466-K480 HydrophobicContact CB-CG 4.38Å; V466-K480 HydrophobicContact CG1-CB 4.32Å; V466-K480 HydrophobicContact CG1-CD 4.26Å; V466-K480 HydrophobicContact CG1-CG 4.15Å; V466-K480 HydrophobicContact CG2-CD 4.15Å; V466-E517 PolarHBondContact N-OE1 3.29Å; V466-E517 PolarHBondContact N-OE2 2.98Å |
| 467 | S | 96.8 | Very high | 89.8 | Confident | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 27.3 | 179.9 | 66.5 | 0 | 0 | 0 | 0 | 113.7 | G465 F477 E517 N518 | G465-S467 VanDerWaalsContact C-N 3.27Å; G465-S467 PolarHBondContact O-N 3.42Å; S467-F477 CarbonylContact C-O 3.56Å; S467-F477 VanDerWaalsContact C-O 3.23Å; S467-F477 WeakPolarHBondContact CA-O 3.4Å; S467-E517 WeakPolarHBondContact CA-OE2 3.49Å; S467-E517 WeakPolarHBondContact CB-OE2 3.17Å; S467-E517 PolarHBondContact N-OE2 3.43Å; S467-E517 WeakPolarHBondContact OG-CA 3.4Å; S467-E517 WeakPolarHBondContact OG-CB 3.18Å; S467-E517 PolarHBondContact OG-OE2 3.33Å; S467-N518 PolarHBondContact O-ND2 3.23Å; S467-N518 PolarHBondContact OG-N 2.92Å |
| 468 | R | 94.4 | Very high | 89.7 | Confident | 60 Ų | 60 | 45.8 Ų | 45.8 | 23% | 0.226 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -106 | 151.3 | 172.9 | -60.9 | -66.3 | 173.2 | -136.1 | 12.4 | 110.3 | G465 G474 G476 Y515 T516 N518 | G465-R468 PolarHBondContact O-N 3.37Å; G465-R468 VanDerWaalsContact O-N 3.15Å; R468-G474 WeakPolarHBondContact O-CA 3.39Å; R468-G476 VanDerWaalsContact O-CA 3.26Å; R468-G476 WeakPolarHBondContact O-CA 3.15Å; R468-G476 PolarHBondContact O-N 2.98Å; R468-Y515 PolarHBondContact NH2-O 2.87Å; R468-T516 VanDerWaalsContact CZ-O 3.25Å; R468-T516 PolarHBondContact NE-O 3.34Å; R468-T516 PolarHBondContact NH2-O 2.74Å; R468-N518 PolarHBondContact NH1-OD1 3.08Å |
| 469 | P | 88.3 | Confident | 89.8 | Confident | 65 Ų | 65 | 44.8 Ų | 44.8 | 42% | 0.422 | 26% | 0.257 | S | S | . | . | trans | -65.5 | 156.8 | -178.9 | -15.1 | 30 | 0 | 0 | 0 | 111.8 | D471 M472 G474 | P469-D471 VanDerWaalsContact C-N 3.29Å; P469-D471 VanDerWaalsContact CB-OD1 3.29Å; P469-D471 WeakPolarHBondContact CB-OD1 3.28Å; P469-D471 PolarHBondContact O-N 3.48Å; P469-M472 PolarHBondContact O-N 3.2Å; P469-M472 VanDerWaalsContact O-N 3.08Å; P469-G474 PolarHBondContact O-N 2.95Å; P469-G474 VanDerWaalsContact O-N 3.1Å | ||
| 470 | Q | 79.3 | Confident | 89.9 | Confident | 39 Ų | 39 | 45.2 Ų | 45.2 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -62.3 | -33.9 | -175 | -178.5 | 178.5 | 3.4 | 0 | 0 | 113 | R440 M472 G473 | R440-Q470 HydrophobicContact CB-CG 4.2Å; R440-Q470 HydrophobicContact CG-CG 4.15Å; Q470-M472 PolarHBondContact O-N 3.28Å; Q470-G473 PolarHBondContact O-N 2.87Å |
| 471 | D | 76 | Confident | 90.3 | Very high | 121 Ų | 121 | 42.3 Ų | 42.3 | 65% | 0.647 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -68.2 | -15.5 | 177.4 | 64.8 | -18.1 | 0 | 0 | 0 | 113.2 | P469 | P469-D471 VanDerWaalsContact C-N 3.29Å; P469-D471 VanDerWaalsContact CB-OD1 3.29Å; P469-D471 WeakPolarHBondContact CB-OD1 3.28Å; P469-D471 PolarHBondContact O-N 3.48Å |
| 472 | M | 77.8 | Confident | 90.8 | Very high | 125 Ų | 125 | 40 Ų | 40 | 62% | 0.616 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -97.8 | 17.3 | 169.8 | -59.5 | -175.3 | 178.8 | 0 | 0 | 112.7 | P469 Q470 G474 | P469-M472 PolarHBondContact O-N 3.2Å; P469-M472 VanDerWaalsContact O-N 3.08Å; Q470-M472 PolarHBondContact O-N 3.28Å; M472-G474 PolarHBondContact O-N 3.44Å |
| 473 | G | 77.8 | Confident | 91.4 | Very high | 39 Ų | 39 | 34.1 Ų | 34.1 | 40% | 0.402 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 5.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114.8 | R440 Q470 | R440-G473 PolarHBondContact NH2-O 2.99Å; Q470-G473 PolarHBondContact O-N 2.87Å |
| 474 | G | 90 | Very high | 91.6 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -76.7 | 175.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R440 G465 R468 P469 M472 G476 | R440-G474 WeakPolarHBondContact CG-O 3.45Å; R440-G474 PolarHBondContact NE-O 2.74Å; G465-G474 CarbonylContact O-C 3.59Å; G465-G474 WeakPolarHBondContact O-CA 3.43Å; R468-G474 WeakPolarHBondContact O-CA 3.39Å; P469-G474 PolarHBondContact O-N 2.95Å; P469-G474 VanDerWaalsContact O-N 3.1Å; M472-G474 PolarHBondContact O-N 3.44Å; G474-G476 VanDerWaalsContact C-N 3.32Å | ||
| 475 | L | 96 | Very high | 92.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -83.5 | -9.1 | 173.5 | -63.1 | -178 | 0 | 0 | 0 | 112.9 | V407 I411 I436 R440 N443 F463 G465 V466 F477 | V407-L475 HydrophobicContact CG1-CD1 4.26Å; I411-L475 HydrophobicContact CG2-CD1 4.41Å; I436-L475 HydrophobicContact CB-CD2 4.43Å; I436-L475 HydrophobicContact CG1-CD2 4.34Å; I436-L475 HydrophobicContact CG2-CD2 3.85Å; R440-L475 HydrophobicContact CG-CD2 4.48Å; N443-L475 PolarHBondContact ND2-O 2.84Å; F463-L475 HydrophobicContact CD1-CD1 4.01Å; F463-L475 HydrophobicContact CD1-CG 4.19Å; F463-L475 HydrophobicContact CE1-CD1 4.02Å; F463-L475 HydrophobicContact CE1-CD2 3.85Å; F463-L475 HydrophobicContact CE1-CG 3.79Å; F463-L475 HydrophobicContact CZ-CD2 4.28Å; G465-L475 PolarHBondContact O-N 3.35Å; V466-L475 HydrophobicContact CB-CD1 4.49Å; V466-L475 HydrophobicContact CG1-CD1 4.37Å; V466-L475 HydrophobicContact CG2-CD1 4.18Å; L475-F477 HydrophobicContact CB-CD2 3.83Å; L475-F477 HydrophobicContact CB-CE2 4.1Å; L475-F477 HydrophobicContact CD1-CE2 4.38Å | ||
| 476 | G | 95.2 | Very high | 92.3 | Very high | 12 Ų | 12 | 29.4 Ų | 29.4 | 12% | 0.124 | 17% | 0.166 | C | C | . | . | trans | 81.9 | 6.7 | 177 | 0 | 0 | 0 | 0 | 0 | 115.2 | N443 R468 G474 W478 | N443-G476 WeakPolarHBondContact CB-O 3.42Å; R468-G476 VanDerWaalsContact O-CA 3.26Å; R468-G476 WeakPolarHBondContact O-CA 3.15Å; R468-G476 PolarHBondContact O-N 2.98Å; G474-G476 VanDerWaalsContact C-N 3.32Å; G476-W478 VanDerWaalsContact O-CZ3 3.28Å; G476-W478 WeakPolarHBondContact O-CZ3 3.39Å | ||
| 477 | F | 97.7 | Very high | 92.3 | Very high | 5 Ų | 5 | 34 Ų | 34 | 2% | 0.022 | 19% | 0.187 | C | C | . | . | trans | -65.2 | 154.3 | 172 | -70 | -90.8 | 0 | 0 | 0 | 110.3 | V404 V407 L439 N443 T455 A457 V466 S467 L475 | V404-F477 HydrophobicContact CB-CE1 4.08Å; V404-F477 HydrophobicContact CB-CZ 4.23Å; V404-F477 HydrophobicContact CG2-CE1 3.85Å; V404-F477 HydrophobicContact CG2-CZ 4.17Å; V407-F477 HydrophobicContact CG2-CZ 4.2Å; L439-F477 HydrophobicContact CB-CE2 4.48Å; L439-F477 HydrophobicContact CD1-CE2 4.34Å; L439-F477 HydrophobicContact CD2-CE2 4.32Å; L439-F477 HydrophobicContact CD2-CZ 3.9Å; N443-F477 WeakPolarHBondContact ND2-CD2 3.32Å; N443-F477 PolarHBondContact ND2-N 3.46Å; T455-F477 WeakPolarHBondContact OG1-CD1 3.31Å; A457-F477 HydrophobicContact CB-CB 4.31Å; A457-F477 HydrophobicContact CB-CD1 3.74Å; A457-F477 HydrophobicContact CB-CD2 3.84Å; A457-F477 HydrophobicContact CB-CE1 3.9Å; A457-F477 HydrophobicContact CB-CE2 4Å; A457-F477 HydrophobicContact CB-CG 3.7Å; A457-F477 HydrophobicContact CB-CZ 4.02Å; V466-F477 HydrophobicContact CG1-CD2 3.98Å; V466-F477 HydrophobicContact CG1-CG 4.49Å; V466-F477 WeakPolarHBondContact O-CB 3.45Å; V466-F477 PolarHBondContact O-N 3.2Å; V466-F477 VanDerWaalsContact O-N 3.16Å; S467-F477 CarbonylContact C-O 3.56Å; S467-F477 VanDerWaalsContact C-O 3.23Å; S467-F477 WeakPolarHBondContact CA-O 3.4Å; L475-F477 HydrophobicContact CB-CD2 3.83Å; L475-F477 HydrophobicContact CB-CE2 4.1Å; L475-F477 HydrophobicContact CD1-CE2 4.38Å | ||
| 478 | W | 97.2 | Very high | 92.3 | Very high | 65 Ų | 65 | 35.2 Ų | 35.2 | 25% | 0.246 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -83.2 | -35.7 | 173.5 | -85.2 | -110.1 | 0 | 0 | 0 | 111 | F239 N443 V454 T455 G476 N518 | F239-W478 HydrophobicContact CE1-CB 4.18Å; F239-W478 AromaticContact CE1-CD1 3.86Å; F239-W478 HydrophobicContact CE1-CG 4.39Å; F239-W478 WeakPolarHBondContact CE1-O 3.41Å; F239-W478 HydrophobicContact CZ-CB 4.48Å; F239-W478 AromaticContact CZ-CD1 3.56Å; F239-W478 HydrophobicContact CZ-CG 4.27Å; N443-W478 HydrophobicContact CB-CZ3 4.34Å; V454-W478 HydrophobicContact CB-CB 3.83Å; V454-W478 HydrophobicContact CB-CD2 4.13Å; V454-W478 HydrophobicContact CB-CG 3.74Å; V454-W478 HydrophobicContact CG1-CB 4.16Å; V454-W478 HydrophobicContact CG1-CD2 4.11Å; V454-W478 HydrophobicContact CG1-CG 3.66Å; T455-W478 PolarHBondContact O-N 3.14Å; G476-W478 VanDerWaalsContact O-CZ3 3.28Å; G476-W478 WeakPolarHBondContact O-CZ3 3.39Å; W478-N518 WeakPolarHBondContact O-CB 3.4Å; W478-N518 PolarHBondContact O-ND2 2.89Å |
| 479 | Y | 98.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 153.9 | -178.2 | -56.6 | -84.9 | 0 | 0 | 0 | 112.7 | N237 Q238 F239 I243 V454 T455 M456 A457 N518 V520 K563 F621 | N237-Y479 PolarHBondContact O-OH 2.85Å; Q238-Y479 PolarHBondContact O-OH 3.48Å; F239-Y479 AromaticContact CD1-CE1 3.77Å; F239-Y479 HydrophobicContact CD1-CE1 3.77Å; F239-Y479 AromaticContact CD1-CZ 3.76Å; F239-Y479 HydrophobicContact CE1-CE1 4.16Å; F239-Y479 HydrophobicContact CE1-CE2 4.5Å; F239-Y479 PolarHBondContact N-OH 2.9Å; I243-Y479 HydrophobicContact CD1-CE1 4.33Å; I243-Y479 HydrophobicContact CD1-CE2 4.05Å; I243-Y479 VanDerWaalsContact CD1-OH 3.31Å; I243-Y479 WeakPolarHBondContact CD1-OH 3.39Å; V454-Y479 HydrophobicContact CB-CE2 4.48Å; V454-Y479 HydrophobicContact CG2-CD2 4.47Å; V454-Y479 HydrophobicContact CG2-CE2 4.17Å; T455-Y479 PolarHBondContact O-N 2.84Å; T455-Y479 VanDerWaalsContact O-N 3.17Å; M456-Y479 CarbonylContact C-O 3.5Å; M456-Y479 WeakPolarHBondContact CA-O 3.39Å; M456-Y479 HydrophobicContact CE-CD2 3.97Å; M456-Y479 HydrophobicContact CE-CE2 4.39Å; M456-Y479 HydrophobicContact CG-CD2 4.16Å; A457-Y479 PolarHBondContact N-O 2.91Å; Y479-N518 VanDerWaalsContact CA-O 3.23Å; Y479-N518 WeakPolarHBondContact CA-O 3.35Å; Y479-N518 HydrophobicContact CD1-CB 4.06Å; Y479-V520 HydrophobicContact CD1-CG2 4.45Å; Y479-V520 HydrophobicContact CG-CG2 4.29Å; Y479-K563 HydrophobicContact CD1-CG 4.27Å; Y479-K563 HydrophobicContact CE1-CG 3.94Å; Y479-F621 HydrophobicContact CD1-CE2 4.43Å; Y479-F621 AromaticContact CD1-CZ 3.93Å; Y479-F621 HydrophobicContact CD1-CZ 3.93Å; Y479-F621 AromaticContact CE1-CE2 3.8Å; Y479-F621 HydrophobicContact CE1-CE2 3.8Å; Y479-F621 AromaticContact CE1-CZ 3.66Å; Y479-F621 HydrophobicContact CE1-CZ 3.66Å |
| 480 | K | 98 | Very high | 92.9 | Very high | 12 Ų | 12 | 29.3 Ų | 29.3 | 5% | 0.052 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 139.2 | 173.2 | -175.4 | -174.2 | -179.2 | 161.4 | 0 | 109.8 | A457 E459 V466 E517 N518 F519 V520 | A457-K480 CarbonylContact O-C 3.47Å; A457-K480 WeakPolarHBondContact O-CA 3.45Å; E459-K480 WeakPolarHBondContact O-CE 3.47Å; E459-K480 WeakPolarHBondContact OE2-CE 3.37Å; E459-K480 IonicContact OE2-NZ 3.5Å; E459-K480 PolarHBondContact OE2-NZ 3.16Å; V466-K480 HydrophobicContact CB-CD 3.96Å; V466-K480 HydrophobicContact CB-CG 4.38Å; V466-K480 HydrophobicContact CG1-CB 4.32Å; V466-K480 HydrophobicContact CG1-CD 4.26Å; V466-K480 HydrophobicContact CG1-CG 4.15Å; V466-K480 HydrophobicContact CG2-CD 4.15Å; K480-E517 HydrophobicContact CB-CB 4.41Å; K480-E517 HydrophobicContact CD-CB 4.44Å; K480-E517 HydrophobicContact CD-CG 3.96Å; K480-N518 PolarHBondContact N-O 3Å; K480-F519 HydrophobicContact CB-CD1 4.35Å; K480-F519 HydrophobicContact CB-CE1 4.46Å; K480-F519 HydrophobicContact CD-CE1 3.97Å; K480-F519 HydrophobicContact CG-CE1 4.34Å; K480-F519 CarbonylContact O-C 3.56Å; K480-F519 VanDerWaalsContact O-CA 3.24Å; K480-F519 WeakPolarHBondContact O-CA 3.47Å; K480-V520 PolarHBondContact O-N 3.27Å |
| 481 | W | 98 | Very high | 93.8 | Very high | 3 Ų | 3 | 30 Ų | 30 | 1% | 0.011 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 132 | 168.3 | -81.7 | 21.7 | 0 | 0 | 0 | 111.2 | E285 R403 A457 E458 L483 V520 P522 L565 | E285-W481 WeakPolarHBondContact OE1-CZ2 3.24Å; R403-W481 HydrophobicContact CG-CZ2 4.39Å; A457-W481 PolarHBondContact O-N 2.69Å; E458-W481 HydrophobicContact CB-CB 4.4Å; E458-W481 HydrophobicContact CB-CD2 4.19Å; E458-W481 HydrophobicContact CB-CE3 4.01Å; E458-W481 HydrophobicContact CB-CG 4.39Å; E458-W481 HydrophobicContact CG-CD2 4.41Å; E458-W481 HydrophobicContact CG-CE3 3.78Å; E458-W481 HydrophobicContact CG-CZ3 4.35Å; W481-L483 HydrophobicContact CB-CD2 4.46Å; W481-L483 HydrophobicContact CE3-CD2 4.25Å; W481-L483 PolarHBondContact O-N 3.41Å; W481-V520 CarbonylContact C-O 3.53Å; W481-P522 HydrophobicContact CB-CG 4.07Å; W481-P522 HydrophobicContact CD2-CB 3.75Å; W481-P522 HydrophobicContact CD2-CG 4.04Å; W481-P522 HydrophobicContact CE3-CB 3.75Å; W481-P522 HydrophobicContact CE3-CG 3.96Å; W481-P522 HydrophobicContact CG-CB 4.17Å; W481-P522 HydrophobicContact CG-CG 4.12Å; W481-P522 HydrophobicContact CZ3-CB 4.23Å; W481-L565 HydrophobicContact CH2-CD1 4.29Å; W481-L565 HydrophobicContact CZ2-CD1 3.39Å; W481-L565 HydrophobicContact CZ2-CD2 4.43Å |
| 482 | N | 97.2 | Very high | 94.9 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | trans | -88.2 | 79 | 177.7 | -162.3 | -24.5 | 0 | 0 | 0 | 111.2 | G484 W485 M486 Y513 F519 V520 L521 | N482-G484 VanDerWaalsContact C-N 3.33Å; N482-W485 HydrophobicContact CB-CB 4.01Å; N482-W485 PolarHBondContact O-N 2.74Å; N482-W485 VanDerWaalsContact OD1-CB 3.26Å; N482-W485 WeakPolarHBondContact OD1-CB 3.44Å; N482-W485 PolarHBondContact OD1-N 3.39Å; N482-M486 PolarHBondContact O-N 2.87Å; N482-Y513 WeakPolarHBondContact OD1-CE2 3.47Å; N482-Y513 PolarHBondContact OD1-OH 2.75Å; N482-Y513 VanDerWaalsContact OD1-OH 3.08Å; N482-F519 HydrophobicContact CB-CB 3.94Å; N482-F519 HydrophobicContact CB-CD1 3.42Å; N482-F519 VanDerWaalsContact CB-CD1 3.42Å; N482-F519 HydrophobicContact CB-CE1 4.04Å; N482-F519 HydrophobicContact CB-CG 3.76Å; N482-V520 PolarHBondContact N-O 3.38Å; N482-L521 HydrophobicContact CB-CD2 3.97Å | ||
| 483 | L | 95.5 | Very high | 95.8 | Very high | 25 Ų | 25 | 18.3 Ų | 18.3 | 13% | 0.131 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -68.3 | -32.6 | -179.9 | -63.1 | -179 | 0 | 0 | 0 | 112.9 | E458 W481 M486 H487 P522 | E458-L483 HydrophobicContact CG-CD1 3.97Å; E458-L483 HydrophobicContact CG-CD2 4.36Å; E458-L483 HydrophobicContact CG-CG 4.49Å; E458-L483 VanDerWaalsContact OE1-CD1 3.27Å; E458-L483 WeakPolarHBondContact OE1-CD1 3.33Å; W481-L483 HydrophobicContact CB-CD2 4.46Å; W481-L483 HydrophobicContact CE3-CD2 4.25Å; W481-L483 PolarHBondContact O-N 3.41Å; L483-M486 HydrophobicContact CD2-CE 3.91Å; L483-M486 PolarHBondContact O-N 2.96Å; L483-H487 PolarHBondContact O-CD2 3.28Å; L483-H487 VanDerWaalsContact O-CD2 3.23Å; L483-H487 PolarHBondContact O-N 2.96Å; L483-P522 HydrophobicContact CD2-CG 4.21Å |
| 484 | G | 94 | Very high | 96.7 | Very high | 33 Ų | 33 | 21.5 Ų | 21.5 | 34% | 0.34 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -59.3 | -51.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | N482 M486 H487 D488 | N482-G484 VanDerWaalsContact C-N 3.33Å; G484-M486 VanDerWaalsContact C-N 3.33Å; G484-M486 PolarHBondContact O-N 2.78Å; G484-H487 PolarHBondContact O-N 3.08Å; G484-D488 WeakPolarHBondContact O-CB 3.47Å; G484-D488 PolarHBondContact O-N 2.84Å |
| 485 | W | 97.1 | Very high | 97.1 | Very high | 4 Ų | 4 | 23.5 Ų | 23.5 | 2% | 0.015 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.8 | -42.6 | 175.4 | 175.7 | 96 | 0 | 0 | 0 | 112.2 | N482 T489 Y513 L521 Y553 W556 M557 F560 | N482-W485 HydrophobicContact CB-CB 4.01Å; N482-W485 PolarHBondContact O-N 2.74Å; N482-W485 VanDerWaalsContact OD1-CB 3.26Å; N482-W485 WeakPolarHBondContact OD1-CB 3.44Å; N482-W485 PolarHBondContact OD1-N 3.39Å; W485-T489 HydrophobicContact CD2-CG2 4.06Å; W485-T489 HydrophobicContact CG-CG2 4.23Å; W485-T489 HydrophobicContact CZ2-CG2 4.06Å; W485-T489 WeakPolarHBondContact O-CB 3.27Å; W485-T489 VanDerWaalsContact O-CG2 3.24Å; W485-T489 WeakPolarHBondContact O-CG2 3.11Å; W485-T489 PolarHBondContact O-N 3Å; W485-T489 PolarHBondContact O-OG1 3.42Å; W485-Y513 PolarHBondContact N-OH 3.23Å; W485-L521 HydrophobicContact CD2-CB 4.37Å; W485-L521 HydrophobicContact CD2-CD1 4.47Å; W485-L521 HydrophobicContact CD2-CD2 3.88Å; W485-L521 HydrophobicContact CD2-CG 4.46Å; W485-L521 HydrophobicContact CE3-CB 3.87Å; W485-L521 HydrophobicContact CE3-CD2 4.12Å; W485-L521 HydrophobicContact CE3-CG 4.44Å; W485-L521 HydrophobicContact CG-CD2 4.05Å; W485-L521 HydrophobicContact CH2-CB 4.14Å; W485-L521 HydrophobicContact CH2-CD1 4.41Å; W485-L521 HydrophobicContact CZ2-CD1 4.07Å; W485-L521 HydrophobicContact CZ3-CB 3.77Å; W485-Y553 HydrophobicContact CH2-CE2 4.16Å; W485-Y553 HydrophobicContact CZ2-CE2 4.4Å; W485-W556 AromaticContact NE1-NE1 3.91Å; W485-M557 HydrophobicContact CH2-CB 3.79Å; W485-M557 HydrophobicContact CH2-CG 3.6Å; W485-M557 HydrophobicContact CH2-SD 4.16Å; W485-M557 HydrophobicContact CZ2-CB 4.09Å; W485-M557 HydrophobicContact CZ2-CG 4.21Å; W485-M557 HydrophobicContact CZ3-CG 4.46Å; W485-F560 AromaticContact CD1-CD1 3.77Å; W485-F560 AromaticContact CD1-CE1 3.55Å; W485-F560 AromaticContact CD1-CZ 3.86Å; W485-F560 AromaticContact NE1-CD1 3.45Å; W485-F560 AromaticContact NE1-CD2 3.97Å; W485-F560 AromaticContact NE1-CE1 3.72Å; W485-F560 AromaticContact NE1-CG 3.6Å |
| 486 | M | 97.6 | Very high | 97.1 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.02 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.9 | -51.2 | 178.8 | 174.9 | -81.6 | -71.8 | 0 | 0 | 110.7 | N482 L483 G484 T489 L490 P522 L523 E527 | N482-M486 PolarHBondContact O-N 2.87Å; L483-M486 HydrophobicContact CD2-CE 3.91Å; L483-M486 PolarHBondContact O-N 2.96Å; G484-M486 VanDerWaalsContact C-N 3.33Å; G484-M486 PolarHBondContact O-N 2.78Å; M486-T489 PolarHBondContact O-OG1 2.9Å; M486-L490 HydrophobicContact CG-CD1 3.9Å; M486-L490 WeakPolarHBondContact O-CB 3.4Å; M486-L490 WeakPolarHBondContact O-CG 3.28Å; M486-L490 PolarHBondContact O-N 3.38Å; M486-L490 HydrophobicContact SD-CD1 3.51Å; M486-L490 VanDerWaalsContact SD-CD1 3.51Å; M486-P522 HydrophobicContact CB-CG 4.28Å; M486-P522 WeakPolarHBondContact CG-O 3.36Å; M486-L523 HydrophobicContact CG-CD2 4.25Å; M486-E527 HydrophobicContact CE-CG 3.99Å; M486-E527 HydrophobicContact CG-CG 4.31Å; M486-E527 VanDerWaalsContact SD-CD 3.55Å; M486-E527 HydrophobicContact SD-CG 3.67Å |
| 487 | H | 95.8 | Very high | 97.2 | Very high | 95 Ų | 95 | 27.4 Ų | 27.4 | 44% | 0.44 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -61.6 | -49.7 | 179 | -79 | -52.3 | 0 | 0 | 0 | 112 | L483 G484 T489 L490 D491 | L483-H487 PolarHBondContact O-CD2 3.28Å; L483-H487 VanDerWaalsContact O-CD2 3.23Å; L483-H487 PolarHBondContact O-N 2.96Å; G484-H487 PolarHBondContact O-N 3.08Å; H487-T489 PolarHBondContact O-N 3.1Å; H487-L490 PolarHBondContact O-N 3.06Å; H487-D491 WeakPolarHBondContact O-CB 3.38Å; H487-D491 PolarHBondContact O-N 3.3Å |
| 488 | D | 97.4 | Very high | 97.1 | Very high | 29 Ų | 29 | 31.1 Ų | 31.1 | 16% | 0.155 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.7 | -44 | -177.7 | -85.7 | -31 | 0 | 0 | 0 | 112.4 | G484 D491 Y492 K506 | G484-D488 WeakPolarHBondContact O-CB 3.47Å; G484-D488 PolarHBondContact O-N 2.84Å; D488-D491 PolarHBondContact O-N 3.44Å; D488-Y492 WeakPolarHBondContact O-CB 3.31Å; D488-Y492 PolarHBondContact O-N 2.88Å; D488-K506 HydrophobicContact CB-CB 4.1Å; D488-K506 WeakPolarHBondContact CB-O 3.41Å; D488-K506 IonicContact OD1-NZ 3.45Å; D488-K506 PolarHBondContact OD1-NZ 3.36Å |
| 489 | T | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -74.1 | -37.3 | -177.3 | 60.3 | 0 | 0 | 0 | 0 | 112.6 | W485 M486 H487 Y492 M493 L507 Y553 | W485-T489 HydrophobicContact CD2-CG2 4.06Å; W485-T489 HydrophobicContact CG-CG2 4.23Å; W485-T489 HydrophobicContact CZ2-CG2 4.06Å; W485-T489 WeakPolarHBondContact O-CB 3.27Å; W485-T489 VanDerWaalsContact O-CG2 3.24Å; W485-T489 WeakPolarHBondContact O-CG2 3.11Å; W485-T489 PolarHBondContact O-N 3Å; W485-T489 PolarHBondContact O-OG1 3.42Å; M486-T489 PolarHBondContact O-OG1 2.9Å; H487-T489 PolarHBondContact O-N 3.1Å; T489-Y492 PolarHBondContact O-N 2.75Å; T489-M493 WeakPolarHBondContact O-CB 3.41Å; T489-M493 VanDerWaalsContact O-CG 3.26Å; T489-M493 WeakPolarHBondContact O-CG 3.46Å; T489-M493 PolarHBondContact O-N 3.16Å; T489-L507 HydrophobicContact CG2-CD2 3.6Å; T489-Y553 HydrophobicContact CG2-CE2 4.44Å; T489-Y553 PolarHBondContact OG1-OH 2.95Å |
| 490 | L | 97.7 | Very high | 97 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.2 | -39.3 | 172.1 | -71.9 | 173.2 | 0 | 0 | 0 | 111.9 | M486 H487 Y492 M493 K494 L523 E527 I535 R538 Y553 | M486-L490 HydrophobicContact CG-CD1 3.9Å; M486-L490 WeakPolarHBondContact O-CB 3.4Å; M486-L490 WeakPolarHBondContact O-CG 3.28Å; M486-L490 PolarHBondContact O-N 3.38Å; M486-L490 HydrophobicContact SD-CD1 3.51Å; M486-L490 VanDerWaalsContact SD-CD1 3.51Å; H487-L490 PolarHBondContact O-N 3.06Å; L490-Y492 VanDerWaalsContact C-N 3.32Å; L490-Y492 PolarHBondContact O-N 3.18Å; L490-M493 PolarHBondContact O-N 3.26Å; L490-K494 PolarHBondContact O-N 2.8Å; L490-K494 VanDerWaalsContact O-N 3.09Å; L490-L523 HydrophobicContact CD1-CD2 3.8Å; L490-L523 HydrophobicContact CD2-CD2 3.9Å; L490-L523 HydrophobicContact CG-CD2 3.99Å; L490-E527 HydrophobicContact CD1-CB 4.4Å; L490-E527 HydrophobicContact CD1-CG 4.26Å; L490-I535 HydrophobicContact CD2-CD1 4.06Å; L490-I535 HydrophobicContact CD2-CG2 4.39Å; L490-R538 VanDerWaalsContact CD1-NH1 3.29Å; L490-Y553 HydrophobicContact CD2-CE1 3.7Å |
| 491 | D | 97.7 | Very high | 97 | Very high | 52 Ų | 52 | 36.6 Ų | 36.6 | 28% | 0.278 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -65.8 | -34.7 | 175.3 | -83.7 | -3.3 | 0 | 0 | 0 | 112.7 | H487 D488 K494 L495 K506 | H487-D491 WeakPolarHBondContact O-CB 3.38Å; H487-D491 PolarHBondContact O-N 3.3Å; D488-D491 PolarHBondContact O-N 3.44Å; D491-K494 WeakPolarHBondContact O-CG 3.43Å; D491-K494 WeakPolarHBondContact OD1-CE 3.41Å; D491-K494 IonicContact OD1-NZ 3.61Å; D491-K494 PolarHBondContact OD1-NZ 3.02Å; D491-L495 WeakPolarHBondContact O-CG 3.37Å; D491-K506 HydrophobicContact CB-CD 4.13Å |
| 492 | Y | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.1 | -48.2 | 172.9 | -178.3 | -91.6 | 0 | 0 | 0 | 111.5 | D488 T489 L490 K494 L495 R500 H503 K506 L507 S637 F657 | D488-Y492 WeakPolarHBondContact O-CB 3.31Å; D488-Y492 PolarHBondContact O-N 2.88Å; T489-Y492 PolarHBondContact O-N 2.75Å; L490-Y492 VanDerWaalsContact C-N 3.32Å; L490-Y492 PolarHBondContact O-N 3.18Å; Y492-K494 VanDerWaalsContact C-N 3.31Å; Y492-K494 PolarHBondContact O-N 3.02Å; Y492-L495 WeakPolarHBondContact O-CB 3.46Å; Y492-L495 PolarHBondContact O-N 3.09Å; Y492-R500 HydrophobicContact CE1-CB 4.41Å; Y492-R500 HydrophobicContact CE1-CG 3.98Å; Y492-R500 HydrophobicContact CE2-CB 3.85Å; Y492-R500 HydrophobicContact CE2-CG 4.02Å; Y492-R500 WeakPolarHBondContact OH-CB 3.48Å; Y492-H503 HydrophobicContact CD2-CB 4.3Å; Y492-H503 VanDerWaalsContact CD2-O 3.23Å; Y492-H503 WeakPolarHBondContact CD2-O 3.35Å; Y492-H503 WeakPolarHBondContact CE2-O 3.03Å; Y492-K506 HydrophobicContact CD2-CB 4.34Å; Y492-L507 HydrophobicContact CD1-CD1 3.59Å; Y492-L507 HydrophobicContact CD1-CD2 3.93Å; Y492-L507 HydrophobicContact CD1-CG 3.71Å; Y492-L507 HydrophobicContact CD2-CD1 4.45Å; Y492-L507 HydrophobicContact CD2-CG 4.05Å; Y492-L507 HydrophobicContact CE1-CD1 3.3Å; Y492-L507 HydrophobicContact CE1-CD2 4.49Å; Y492-L507 HydrophobicContact CE1-CG 3.89Å; Y492-L507 HydrophobicContact CE2-CD1 4.21Å; Y492-L507 HydrophobicContact CE2-CG 4.21Å; Y492-L507 HydrophobicContact CG-CD1 4.14Å; Y492-L507 HydrophobicContact CG-CD2 4.06Å; Y492-L507 HydrophobicContact CG-CG 3.77Å; Y492-S637 WeakPolarHBondContact OH-CB 3.24Å; Y492-F657 HydrophobicContact CE1-CB 3.89Å; Y492-F657 HydrophobicContact CE1-CD1 4.46Å; Y492-F657 HydrophobicContact CE1-CD2 4.14Å; Y492-F657 AromaticContact CE1-CG 3.92Å; Y492-F657 HydrophobicContact CE1-CG 3.92Å |
| 493 | M | 97.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.4 | -30.4 | -173.6 | -73.4 | -55.7 | -54.5 | 0 | 0 | 113 | T489 L490 L495 R500 M539 P540 N549 Y553 F657 | T489-M493 WeakPolarHBondContact O-CB 3.41Å; T489-M493 VanDerWaalsContact O-CG 3.26Å; T489-M493 WeakPolarHBondContact O-CG 3.46Å; T489-M493 PolarHBondContact O-N 3.16Å; L490-M493 PolarHBondContact O-N 3.26Å; M493-L495 VanDerWaalsContact C-N 3.26Å; M493-L495 PolarHBondContact O-N 3.03Å; M493-R500 PolarHBondContact O-NH2 3.3Å; M493-M539 HydrophobicContact CB-CE 4.12Å; M493-M539 HydrophobicContact CB-SD 4Å; M493-M539 HydrophobicContact CE-SD 3.85Å; M493-P540 VanDerWaalsContact O-CD 3.22Å; M493-P540 WeakPolarHBondContact O-CD 3.43Å; M493-N549 HydrophobicContact CE-CB 3.76Å; M493-N549 VanDerWaalsContact CE-O 3.29Å; M493-N549 WeakPolarHBondContact CE-O 3.44Å; M493-Y553 HydrophobicContact CG-CD1 4.23Å; M493-Y553 HydrophobicContact CG-CD2 3.78Å; M493-Y553 HydrophobicContact CG-CE2 4.28Å; M493-Y553 HydrophobicContact CG-CG 3.76Å; M493-Y553 HydrophobicContact SD-CD2 4.42Å; M493-Y553 HydrophobicContact SD-CG 4.41Å; M493-F657 HydrophobicContact SD-CD1 3.92Å; M493-F657 HydrophobicContact SD-CE1 4.09Å |
| 494 | K | 96.8 | Very high | 97 | Very high | 107 Ų | 107 | 46.3 Ų | 46.3 | 47% | 0.465 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -15.9 | 176.8 | 76.5 | -172.1 | -176.1 | -166.5 | 0 | 114.5 | L490 D491 Y492 R538 | L490-K494 PolarHBondContact O-N 2.8Å; L490-K494 VanDerWaalsContact O-N 3.09Å; D491-K494 WeakPolarHBondContact O-CG 3.43Å; D491-K494 WeakPolarHBondContact OD1-CE 3.41Å; D491-K494 IonicContact OD1-NZ 3.61Å; D491-K494 PolarHBondContact OD1-NZ 3.02Å; Y492-K494 VanDerWaalsContact C-N 3.31Å; Y492-K494 PolarHBondContact O-N 3.02Å; K494-R538 WeakPolarHBondContact CA-O 3.32Å |
| 495 | L | 97.6 | Very high | 97.1 | Very high | 42 Ų | 42 | 49 Ų | 49 | 22% | 0.22 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -73.6 | 138.8 | 178.2 | -64.7 | 169.7 | 0 | 0 | 0 | 111 | D491 Y492 M493 R500 H503 P540 | D491-L495 WeakPolarHBondContact O-CG 3.37Å; Y492-L495 WeakPolarHBondContact O-CB 3.46Å; Y492-L495 PolarHBondContact O-N 3.09Å; M493-L495 VanDerWaalsContact C-N 3.26Å; M493-L495 PolarHBondContact O-N 3.03Å; L495-R500 HydrophobicContact CB-CG 4.29Å; L495-R500 PolarHBondContact O-NE 3.09Å; L495-H503 HydrophobicContact CD1-CB 3.86Å; L495-H503 WeakPolarHBondContact CD1-CD2 3.44Å; L495-P540 WeakPolarHBondContact O-CG 3.17Å |
| 496 | D | 96.7 | Very high | 97.1 | Very high | 76 Ų | 76 | 51 Ų | 51 | 41% | 0.406 | 24% | 0.241 | S | C | . | . | trans | -51.6 | 133.6 | 166.4 | -171.5 | -57.5 | 0 | 0 | 0 | 109.5 | V498 Y499 | D496-V498 PolarHBondContact O-N 2.92Å; D496-V498 WeakPolarHBondContact OD1-CG1 3.27Å; D496-V498 PolarHBondContact OD1-N 3.13Å; D496-V498 VanDerWaalsContact OD1-N 3.13Å; D496-Y499 HydrophobicContact CB-CD2 3.82Å; D496-Y499 HydrophobicContact CB-CE2 4.16Å; D496-Y499 PolarHBondContact O-N 3.12Å | ||
| 497 | P | 96.5 | Very high | 97.1 | Very high | 17 Ų | 17 | 50.9 Ų | 50.9 | 11% | 0.11 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | -28.5 | -176.7 | -31.5 | 36.4 | 0 | 0 | 0 | 115.6 | Y499 R500 T658 P659 | P497-Y499 PolarHBondContact O-N 3.46Å; P497-R500 PolarHBondContact O-N 2.93Å; P497-T658 HydrophobicContact CB-CG2 4.49Å; P497-P659 HydrophobicContact CB-CG 4.49Å; P497-P659 HydrophobicContact CG-CG 4.45Å |
| 498 | V | 95.4 | Very high | 97.1 | Very high | 83 Ų | 83 | 47.7 Ų | 47.7 | 50% | 0.503 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -25.9 | 178.9 | -34.1 | 0 | 0 | 0 | 0 | 113.1 | D496 Q501 | D496-V498 PolarHBondContact O-N 2.92Å; D496-V498 WeakPolarHBondContact OD1-CG1 3.27Å; D496-V498 PolarHBondContact OD1-N 3.13Å; D496-V498 VanDerWaalsContact OD1-N 3.13Å; V498-Q501 PolarHBondContact O-NE2 3.37Å |
| 499 | Y | 97.5 | Very high | 97 | Very high | 131 Ų | 131 | 51.3 Ų | 51.3 | 51% | 0.514 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -12.7 | -176.7 | -60.7 | -56.5 | 0 | 0 | 0 | 113.6 | D496 P497 Q501 Y502 | D496-Y499 HydrophobicContact CB-CD2 3.82Å; D496-Y499 HydrophobicContact CB-CE2 4.16Å; D496-Y499 PolarHBondContact O-N 3.12Å; P497-Y499 PolarHBondContact O-N 3.46Å; Y499-Q501 PolarHBondContact O-N 3.41Å; Y499-Q501 VanDerWaalsContact O-N 3.16Å; Y499-Y502 HydrophobicContact CD1-CD2 4.31Å; Y499-Y502 HydrophobicContact CD1-CE2 4.14Å; Y499-Y502 WeakPolarHBondContact O-CD2 3.46Å; Y499-Y502 PolarHBondContact O-N 3.45Å |
| 500 | R | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -59.2 | -28.3 | -178.5 | -76.1 | -179 | -178.2 | 167.9 | -1.1 | 113.9 | Y492 M493 L495 P497 Y502 H503 H504 N549 S637 F657 | Y492-R500 HydrophobicContact CE1-CB 4.41Å; Y492-R500 HydrophobicContact CE1-CG 3.98Å; Y492-R500 HydrophobicContact CE2-CB 3.85Å; Y492-R500 HydrophobicContact CE2-CG 4.02Å; Y492-R500 WeakPolarHBondContact OH-CB 3.48Å; M493-R500 PolarHBondContact O-NH2 3.3Å; L495-R500 HydrophobicContact CB-CG 4.29Å; L495-R500 PolarHBondContact O-NE 3.09Å; P497-R500 PolarHBondContact O-N 2.93Å; R500-Y502 PolarHBondContact O-N 3.18Å; R500-H503 CarbonylContact O-C 3.56Å; R500-H503 PolarHBondContact O-N 2.9Å; R500-H503 VanDerWaalsContact O-N 3.1Å; R500-H504 PolarHBondContact O-N 2.73Å; R500-N549 VanDerWaalsContact CZ-OD1 3.29Å; R500-N549 PolarHBondContact NH1-OD1 2.95Å; R500-N549 PolarHBondContact NH2-OD1 3.26Å; R500-S637 WeakPolarHBondContact CB-OG 3.47Å; R500-F657 VanDerWaalsContact CD-O 3.26Å; R500-F657 WeakPolarHBondContact CD-O 3.33Å; R500-F657 PolarHBondContact NH1-O 2.65Å |
| 501 | Q | 96.4 | Very high | 96.7 | Very high | 62 Ų | 62 | 52 Ų | 52 | 29% | 0.29 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -59.1 | -25.9 | 175.3 | 70.9 | -174.1 | -72 | 0 | 0 | 113.9 | V498 Y499 K634 | V498-Q501 PolarHBondContact O-NE2 3.37Å; Y499-Q501 PolarHBondContact O-N 3.41Å; Y499-Q501 VanDerWaalsContact O-N 3.16Å; Q501-K634 VanDerWaalsContact CA-O 3.24Å; Q501-K634 WeakPolarHBondContact CA-O 3.42Å; Q501-K634 WeakPolarHBondContact CB-O 3.37Å |
| 502 | Y | 97.2 | Very high | 96.5 | Very high | 152 Ų | 152 | 55.9 Ų | 55.9 | 60% | 0.596 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -89.1 | -7.1 | -179.2 | -52.9 | -63.6 | 0 | 0 | 0 | 113.3 | Y499 R500 | Y499-Y502 HydrophobicContact CD1-CD2 4.31Å; Y499-Y502 HydrophobicContact CD1-CE2 4.14Å; Y499-Y502 WeakPolarHBondContact O-CD2 3.46Å; Y499-Y502 PolarHBondContact O-N 3.45Å; R500-Y502 PolarHBondContact O-N 3.18Å |
| 503 | H | 97.4 | Very high | 96.3 | Very high | 70 Ų | 70 | 58.1 Ų | 58.1 | 32% | 0.324 | 28% | 0.276 | S | S | . | . | trans | -131.7 | 24 | -174.8 | -62.3 | -72.5 | 0 | 0 | 0 | 111.7 | Y492 L495 R500 D505 K506 | Y492-H503 HydrophobicContact CD2-CB 4.3Å; Y492-H503 VanDerWaalsContact CD2-O 3.23Å; Y492-H503 WeakPolarHBondContact CD2-O 3.35Å; Y492-H503 WeakPolarHBondContact CE2-O 3.03Å; L495-H503 HydrophobicContact CD1-CB 3.86Å; L495-H503 WeakPolarHBondContact CD1-CD2 3.44Å; R500-H503 CarbonylContact O-C 3.56Å; R500-H503 PolarHBondContact O-N 2.9Å; R500-H503 VanDerWaalsContact O-N 3.1Å; H503-D505 WeakPolarHBondContact CA-OD1 3.43Å; H503-D505 PolarHBondContact O-N 3Å; H503-K506 HydrophobicContact CB-CD 4.34Å; H503-K506 HydrophobicContact CB-CG 4.46Å; H503-K506 WeakPolarHBondContact O-CB 3.47Å; H503-K506 PolarHBondContact O-N 3.45Å; H503-K506 VanDerWaalsContact O-N 3.09Å | ||
| 504 | H | 96.4 | Very high | 96.1 | Very high | 13 Ų | 13 | 58.1 Ų | 58.1 | 6% | 0.06 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -30.3 | -177.9 | -159.6 | 73.6 | 0 | 0 | 0 | 112.1 | R500 K506 L507 V631 K634 L639 | R500-H504 PolarHBondContact O-N 2.73Å; H504-K506 PolarHBondContact O-N 2.99Å; H504-L507 PolarHBondContact O-N 3.17Å; H504-V631 PolarHBondContact CD2-O 3.5Å; H504-V631 PolarHBondContact NE2-O 3.26Å; H504-K634 HydrophobicContact CB-CB 3.66Å; H504-L639 WeakPolarHBondContact NE2-CD2 3.48Å |
| 505 | D | 96 | Very high | 96 | Very high | 90 Ų | 90 | 55.5 Ų | 55.5 | 48% | 0.481 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -54.7 | -34.8 | 174.7 | 58.6 | -60.5 | 0 | 0 | 0 | 113.1 | H503 L507 T508 F509 | H503-D505 WeakPolarHBondContact CA-OD1 3.43Å; H503-D505 PolarHBondContact O-N 3Å; D505-L507 PolarHBondContact O-N 2.88Å; D505-T508 WeakPolarHBondContact CA-OG1 3.35Å; D505-T508 CarbonylContact O-C 3.59Å; D505-T508 PolarHBondContact O-N 3.28Å; D505-T508 PolarHBondContact O-OG1 2.92Å; D505-F509 VanDerWaalsContact O-CB 3.26Å; D505-F509 WeakPolarHBondContact O-CB 3.36Å; D505-F509 PolarHBondContact O-N 2.93Å |
| 506 | K | 97.3 | Very high | 95.8 | Very high | 44 Ų | 44 | 57.3 Ų | 57.3 | 19% | 0.191 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.5 | -31.7 | 179.8 | -69.5 | -168 | 161.4 | -74.2 | 0 | 113.5 | D488 D491 Y492 H503 H504 | D488-K506 HydrophobicContact CB-CB 4.1Å; D488-K506 WeakPolarHBondContact CB-O 3.41Å; D488-K506 IonicContact OD1-NZ 3.45Å; D488-K506 PolarHBondContact OD1-NZ 3.36Å; D491-K506 HydrophobicContact CB-CD 4.13Å; Y492-K506 HydrophobicContact CD2-CB 4.34Å; H503-K506 HydrophobicContact CB-CD 4.34Å; H503-K506 HydrophobicContact CB-CG 4.46Å; H503-K506 WeakPolarHBondContact O-CB 3.47Å; H503-K506 PolarHBondContact O-N 3.45Å; H503-K506 VanDerWaalsContact O-N 3.09Å; H504-K506 PolarHBondContact O-N 2.99Å |
| 507 | L | 97.2 | Very high | 95.7 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -85.2 | -22 | 175.3 | -67.8 | -172.2 | 0 | 0 | 0 | 112.9 | T489 Y492 H504 D505 W556 L639 F657 | T489-L507 HydrophobicContact CG2-CD2 3.6Å; Y492-L507 HydrophobicContact CD1-CD1 3.59Å; Y492-L507 HydrophobicContact CD1-CD2 3.93Å; Y492-L507 HydrophobicContact CD1-CG 3.71Å; Y492-L507 HydrophobicContact CD2-CD1 4.45Å; Y492-L507 HydrophobicContact CD2-CG 4.05Å; Y492-L507 HydrophobicContact CE1-CD1 3.3Å; Y492-L507 HydrophobicContact CE1-CD2 4.49Å; Y492-L507 HydrophobicContact CE1-CG 3.89Å; Y492-L507 HydrophobicContact CE2-CD1 4.21Å; Y492-L507 HydrophobicContact CE2-CG 4.21Å; Y492-L507 HydrophobicContact CG-CD1 4.14Å; Y492-L507 HydrophobicContact CG-CD2 4.06Å; Y492-L507 HydrophobicContact CG-CG 3.77Å; H504-L507 PolarHBondContact O-N 3.17Å; D505-L507 PolarHBondContact O-N 2.88Å; L507-W556 HydrophobicContact CB-CH2 4.26Å; L507-W556 HydrophobicContact CB-CZ2 3.94Å; L507-W556 HydrophobicContact CD2-CZ2 4.45Å; L507-W556 WeakPolarHBondContact O-CZ2 3.31Å; L507-L639 HydrophobicContact CB-CD1 3.63Å; L507-L639 HydrophobicContact CD1-CD1 3.57Å; L507-L639 HydrophobicContact CG-CD1 4.28Å; L507-F657 HydrophobicContact CD1-CD2 3.51Å; L507-F657 HydrophobicContact CD1-CE2 3.24Å; L507-F657 HydrophobicContact CD1-CG 4.28Å; L507-F657 HydrophobicContact CD1-CZ 3.81Å |
| 508 | T | 96.2 | Very high | 95.8 | Very high | 29 Ų | 29 | 53.6 Ų | 53.6 | 18% | 0.178 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -96 | -23.2 | -177.4 | 60.7 | 0 | 0 | 0 | 0 | 113.5 | D505 G510 I511 W628 V631 L639 | D505-T508 WeakPolarHBondContact CA-OG1 3.35Å; D505-T508 CarbonylContact O-C 3.59Å; D505-T508 PolarHBondContact O-N 3.28Å; D505-T508 PolarHBondContact O-OG1 2.92Å; T508-G510 PolarHBondContact O-N 3.43Å; T508-I511 VanDerWaalsContact O-CG2 3.3Å; T508-I511 WeakPolarHBondContact O-CG2 3.29Å; T508-W628 HydrophobicContact CG2-CH2 4.39Å; T508-W628 HydrophobicContact CG2-CZ2 4.26Å; T508-V631 HydrophobicContact CG2-CG2 3.66Å; T508-L639 HydrophobicContact CG2-CD2 3.61Å |
| 509 | F | 95.8 | Very high | 95.9 | Very high | 105 Ų | 105 | 50 Ų | 50 | 46% | 0.461 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -39.5 | -172.4 | -175.6 | -111.9 | 0 | 0 | 0 | 112.9 | D505 I511 L512 Y513 | D505-F509 VanDerWaalsContact O-CB 3.26Å; D505-F509 WeakPolarHBondContact O-CB 3.36Å; D505-F509 PolarHBondContact O-N 2.93Å; F509-I511 PolarHBondContact O-N 3.07Å; F509-L512 HydrophobicContact CD2-CD1 3.79Å; F509-L512 HydrophobicContact CE2-CD1 4.08Å; F509-L512 WeakPolarHBondContact O-CB 3.33Å; F509-L512 PolarHBondContact O-N 2.95Å; F509-Y513 HydrophobicContact CD1-CD1 4.45Å; F509-Y513 AromaticContact CD1-CE1 3.84Å; F509-Y513 HydrophobicContact CD1-CE1 3.84Å; F509-Y513 HydrophobicContact CE1-CD1 4.15Å; F509-Y513 AromaticContact CE1-CE1 3.79Å; F509-Y513 HydrophobicContact CE1-CE1 3.79Å |
| 510 | G | 93 | Very high | 96 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -54.1 | -32 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | T508 L512 N514 | T508-G510 PolarHBondContact O-N 3.43Å; G510-L512 VanDerWaalsContact C-N 3.28Å; G510-L512 PolarHBondContact O-N 3.49Å; G510-N514 WeakPolarHBondContact O-CB 3.35Å; G510-N514 PolarHBondContact O-N 3.42Å; G510-N514 VanDerWaalsContact O-N 3.12Å |
| 511 | I | 95.8 | Very high | 96 | Very high | 15 Ų | 15 | 43.8 Ų | 43.8 | 8% | 0.077 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -72.1 | -22.8 | -177.5 | -157 | 65.3 | 0 | 0 | 0 | 113 | T508 F509 Y513 N514 Y515 F560 P561 F626 W628 | T508-I511 VanDerWaalsContact O-CG2 3.3Å; T508-I511 WeakPolarHBondContact O-CG2 3.29Å; F509-I511 PolarHBondContact O-N 3.07Å; I511-Y513 VanDerWaalsContact C-N 3.28Å; I511-Y513 PolarHBondContact O-N 3Å; I511-N514 HydrophobicContact CD1-CB 4.16Å; I511-N514 PolarHBondContact O-N 3.2Å; I511-Y515 HydrophobicContact CD1-CE2 4.27Å; I511-Y515 HydrophobicContact CG1-CE2 4.33Å; I511-F560 HydrophobicContact CB-CZ 4.21Å; I511-F560 HydrophobicContact CD1-CZ 4.13Å; I511-P561 HydrophobicContact CD1-CG 3.86Å; I511-F626 HydrophobicContact CD1-CD1 3.81Å; I511-F626 HydrophobicContact CD1-CD2 4.17Å; I511-F626 HydrophobicContact CD1-CE1 4.02Å; I511-F626 HydrophobicContact CD1-CE2 4.31Å; I511-F626 HydrophobicContact CD1-CG 3.91Å; I511-F626 HydrophobicContact CD1-CZ 4.26Å; I511-F626 HydrophobicContact CG1-CD1 3.75Å; I511-F626 HydrophobicContact CG1-CE1 3.68Å; I511-F626 HydrophobicContact CG1-CG 4.37Å; I511-F626 HydrophobicContact CG1-CZ 4.19Å; I511-W628 HydrophobicContact CG2-CZ2 4.16Å |
| 512 | L | 93.6 | Very high | 96.1 | Very high | 132 Ų | 132 | 40.9 Ų | 40.9 | 69% | 0.691 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -65.4 | -34.5 | -177.3 | -62.5 | 179.5 | 0 | 0 | 0 | 111.8 | F509 G510 | F509-L512 HydrophobicContact CD2-CD1 3.79Å; F509-L512 HydrophobicContact CE2-CD1 4.08Å; F509-L512 WeakPolarHBondContact O-CB 3.33Å; F509-L512 PolarHBondContact O-N 2.95Å; G510-L512 VanDerWaalsContact C-N 3.28Å; G510-L512 PolarHBondContact O-N 3.49Å |
| 513 | Y | 93.8 | Very high | 96.1 | Very high | 48 Ų | 48 | 33.6 Ų | 33.6 | 19% | 0.188 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -109.5 | -2.3 | 177.4 | 64.6 | -98.1 | 0 | 0 | 0 | 113 | N482 W485 F509 I511 Y515 T516 F519 | N482-Y513 WeakPolarHBondContact OD1-CE2 3.47Å; N482-Y513 PolarHBondContact OD1-OH 2.75Å; N482-Y513 VanDerWaalsContact OD1-OH 3.08Å; W485-Y513 PolarHBondContact N-OH 3.23Å; F509-Y513 HydrophobicContact CD1-CD1 4.45Å; F509-Y513 AromaticContact CD1-CE1 3.84Å; F509-Y513 HydrophobicContact CD1-CE1 3.84Å; F509-Y513 HydrophobicContact CE1-CD1 4.15Å; F509-Y513 AromaticContact CE1-CE1 3.79Å; F509-Y513 HydrophobicContact CE1-CE1 3.79Å; I511-Y513 VanDerWaalsContact C-N 3.28Å; I511-Y513 PolarHBondContact O-N 3Å; Y513-Y515 PolarHBondContact O-N 2.99Å; Y513-T516 WeakPolarHBondContact O-CB 3.23Å; Y513-T516 WeakPolarHBondContact O-CG2 3.42Å; Y513-T516 PolarHBondContact O-N 2.93Å; Y513-T516 PolarHBondContact O-OG1 2.95Å; Y513-F519 AromaticContact CD2-CE2 3.74Å; Y513-F519 HydrophobicContact CD2-CE2 3.74Å; Y513-F519 AromaticContact CD2-CZ 3.75Å; Y513-F519 HydrophobicContact CD2-CZ 3.75Å; Y513-F519 HydrophobicContact CE2-CE2 4.04Å; Y513-F519 AromaticContact CE2-CZ 3.89Å; Y513-F519 HydrophobicContact CE2-CZ 3.89Å |
| 514 | N | 94.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -24.2 | -173.3 | -170.6 | 77.5 | 0 | 0 | 0 | 114.2 | G510 I511 E517 F519 D620 | G510-N514 WeakPolarHBondContact O-CB 3.35Å; G510-N514 PolarHBondContact O-N 3.42Å; G510-N514 VanDerWaalsContact O-N 3.12Å; I511-N514 HydrophobicContact CD1-CB 4.16Å; I511-N514 PolarHBondContact O-N 3.2Å; N514-E517 VanDerWaalsContact O-O 3.07Å; N514-F519 VanDerWaalsContact O-CD2 3.26Å; N514-F519 WeakPolarHBondContact O-CD2 3.21Å; N514-D620 PolarHBondContact ND2-O 2.89Å |
| 515 | Y | 94.6 | Very high | 96.2 | Very high | 52 Ų | 52 | 29.9 Ų | 29.9 | 20% | 0.204 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 1.2 | -179.5 | -48.6 | -70.7 | 0 | 0 | 0 | 113.8 | R468 I511 Y513 E517 D622 P623 F626 | R468-Y515 PolarHBondContact NH2-O 2.87Å; I511-Y515 HydrophobicContact CD1-CE2 4.27Å; I511-Y515 HydrophobicContact CG1-CE2 4.33Å; Y513-Y515 PolarHBondContact O-N 2.99Å; Y515-E517 VanDerWaalsContact C-N 3.31Å; Y515-D622 VanDerWaalsContact CE1-C 3.49Å; Y515-P623 HydrophobicContact CD1-CG 4.02Å; Y515-P623 HydrophobicContact CD2-CB 4.39Å; Y515-P623 HydrophobicContact CD2-CG 3.94Å; Y515-P623 HydrophobicContact CE1-CG 4.34Å; Y515-P623 HydrophobicContact CE2-CB 4.22Å; Y515-P623 HydrophobicContact CE2-CG 4.26Å; Y515-P623 HydrophobicContact CG-CG 3.8Å; Y515-F626 WeakPolarHBondContact OH-CB 3.36Å |
| 516 | T | 92.8 | Very high | 96.3 | Very high | 80 Ų | 80 | 28 Ų | 28 | 49% | 0.491 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -26.6 | 173.9 | 64.4 | 0 | 0 | 0 | 0 | 111.7 | R468 Y513 | R468-T516 VanDerWaalsContact CZ-O 3.25Å; R468-T516 PolarHBondContact NE-O 3.34Å; R468-T516 PolarHBondContact NH2-O 2.74Å; Y513-T516 WeakPolarHBondContact O-CB 3.23Å; Y513-T516 WeakPolarHBondContact O-CG2 3.42Å; Y513-T516 PolarHBondContact O-N 2.93Å; Y513-T516 PolarHBondContact O-OG1 2.95Å |
| 517 | E | 95.9 | Very high | 96.2 | Very high | 5 Ų | 5 | 26.4 Ų | 26.4 | 2% | 0.023 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -137.3 | 170.9 | -178.8 | -60.2 | -70.9 | -177.3 | 0 | 0 | 111 | G465 V466 S467 K480 N514 Y515 F519 | G465-E517 VanDerWaalsContact CA-OE1 3.31Å; G465-E517 WeakPolarHBondContact CA-OE1 3.4Å; G465-E517 PolarHBondContact N-OE1 3.24Å; V466-E517 PolarHBondContact N-OE1 3.29Å; V466-E517 PolarHBondContact N-OE2 2.98Å; S467-E517 WeakPolarHBondContact CA-OE2 3.49Å; S467-E517 WeakPolarHBondContact CB-OE2 3.17Å; S467-E517 PolarHBondContact N-OE2 3.43Å; S467-E517 WeakPolarHBondContact OG-CA 3.4Å; S467-E517 WeakPolarHBondContact OG-CB 3.18Å; S467-E517 PolarHBondContact OG-OE2 3.33Å; K480-E517 HydrophobicContact CB-CB 4.41Å; K480-E517 HydrophobicContact CD-CB 4.44Å; K480-E517 HydrophobicContact CD-CG 3.96Å; N514-E517 VanDerWaalsContact O-O 3.07Å; Y515-E517 VanDerWaalsContact C-N 3.31Å; E517-F519 HydrophobicContact CB-CD1 4.2Å; E517-F519 HydrophobicContact CB-CD2 4.15Å; E517-F519 HydrophobicContact CB-CE1 3.81Å; E517-F519 HydrophobicContact CB-CE2 3.72Å; E517-F519 HydrophobicContact CB-CG 4.38Å; E517-F519 HydrophobicContact CB-CZ 3.56Å; E517-F519 HydrophobicContact CG-CE1 4.19Å; E517-F519 HydrophobicContact CG-CE2 4.37Å; E517-F519 HydrophobicContact CG-CZ 3.84Å; E517-F519 PolarHBondContact O-N 3.07Å |
| 518 | N | 97.3 | Very high | 96.2 | Very high | 11 Ų | 11 | 26.5 Ų | 26.5 | 6% | 0.059 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 84.9 | 172.7 | -59.7 | -28.6 | 0 | 0 | 0 | 109.5 | F239 S467 R468 W478 Y479 K480 F621 | F239-N518 HydrophobicContact CE1-CB 4.42Å; F239-N518 VanDerWaalsContact CE1-ND2 3.32Å; F239-N518 WeakPolarHBondContact CE1-ND2 3.47Å; S467-N518 PolarHBondContact O-ND2 3.23Å; S467-N518 PolarHBondContact OG-N 2.92Å; R468-N518 PolarHBondContact NH1-OD1 3.08Å; W478-N518 WeakPolarHBondContact O-CB 3.4Å; W478-N518 PolarHBondContact O-ND2 2.89Å; Y479-N518 VanDerWaalsContact CA-O 3.23Å; Y479-N518 WeakPolarHBondContact CA-O 3.35Å; Y479-N518 HydrophobicContact CD1-CB 4.06Å; K480-N518 PolarHBondContact N-O 3Å; N518-F621 VanDerWaalsContact C-CE1 3.47Å; N518-F621 HydrophobicContact CB-CD1 4.13Å; N518-F621 HydrophobicContact CB-CD2 4.37Å; N518-F621 HydrophobicContact CB-CE1 4Å; N518-F621 HydrophobicContact CB-CE2 4.24Å; N518-F621 HydrophobicContact CB-CG 4.3Å; N518-F621 HydrophobicContact CB-CZ 4.03Å |
| 519 | F | 98 | Very high | 96.3 | Very high | 8 Ų | 8 | 25.3 Ų | 25.3 | 4% | 0.035 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 138.6 | -169.3 | -72.4 | -64 | 0 | 0 | 0 | 116 | K480 N482 Y513 N514 E517 G562 K563 F621 | K480-F519 HydrophobicContact CB-CD1 4.35Å; K480-F519 HydrophobicContact CB-CE1 4.46Å; K480-F519 HydrophobicContact CD-CE1 3.97Å; K480-F519 HydrophobicContact CG-CE1 4.34Å; K480-F519 CarbonylContact O-C 3.56Å; K480-F519 VanDerWaalsContact O-CA 3.24Å; K480-F519 WeakPolarHBondContact O-CA 3.47Å; N482-F519 HydrophobicContact CB-CB 3.94Å; N482-F519 HydrophobicContact CB-CD1 3.42Å; N482-F519 VanDerWaalsContact CB-CD1 3.42Å; N482-F519 HydrophobicContact CB-CE1 4.04Å; N482-F519 HydrophobicContact CB-CG 3.76Å; Y513-F519 AromaticContact CD2-CE2 3.74Å; Y513-F519 HydrophobicContact CD2-CE2 3.74Å; Y513-F519 AromaticContact CD2-CZ 3.75Å; Y513-F519 HydrophobicContact CD2-CZ 3.75Å; Y513-F519 HydrophobicContact CE2-CE2 4.04Å; Y513-F519 AromaticContact CE2-CZ 3.89Å; Y513-F519 HydrophobicContact CE2-CZ 3.89Å; N514-F519 VanDerWaalsContact O-CD2 3.26Å; N514-F519 WeakPolarHBondContact O-CD2 3.21Å; E517-F519 HydrophobicContact CB-CD1 4.2Å; E517-F519 HydrophobicContact CB-CD2 4.15Å; E517-F519 HydrophobicContact CB-CE1 3.81Å; E517-F519 HydrophobicContact CB-CE2 3.72Å; E517-F519 HydrophobicContact CB-CG 4.38Å; E517-F519 HydrophobicContact CB-CZ 3.56Å; E517-F519 HydrophobicContact CG-CE1 4.19Å; E517-F519 HydrophobicContact CG-CE2 4.37Å; E517-F519 HydrophobicContact CG-CZ 3.84Å; E517-F519 PolarHBondContact O-N 3.07Å; F519-G562 CarbonylContact O-C 3.38Å; F519-G562 WeakPolarHBondContact O-CA 3.37Å; F519-K563 PolarHBondContact O-N 3.18Å; F519-F621 VanDerWaalsContact N-CE1 3.3Å |
| 520 | V | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 138.1 | 154.5 | -173.8 | 0 | 0 | 0 | 0 | 107.2 | I245 M456 Y479 K480 W481 N482 P522 K563 L565 | I245-V520 HydrophobicContact CD1-CG1 4.17Å; M456-V520 HydrophobicContact SD-CG2 4.18Å; Y479-V520 HydrophobicContact CD1-CG2 4.45Å; Y479-V520 HydrophobicContact CG-CG2 4.29Å; K480-V520 PolarHBondContact O-N 3.27Å; W481-V520 CarbonylContact C-O 3.53Å; N482-V520 PolarHBondContact N-O 3.38Å; V520-P522 VanDerWaalsContact O-CD 3.24Å; V520-P522 WeakPolarHBondContact O-CD 3.44Å; V520-K563 CarbonylContact C-O 3.19Å; V520-K563 HydrophobicContact CB-CB 4.44Å; V520-K563 HydrophobicContact CG1-CB 4.33Å; V520-K563 HydrophobicContact CG2-CB 4.14Å; V520-L565 HydrophobicContact CG1-CB 3.9Å |
| 521 | L | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 104 | 177.5 | -52 | -179 | 0 | 0 | 0 | 108.7 | N482 W485 M557 F560 K563 L565 | N482-L521 HydrophobicContact CB-CD2 3.97Å; W485-L521 HydrophobicContact CD2-CB 4.37Å; W485-L521 HydrophobicContact CD2-CD1 4.47Å; W485-L521 HydrophobicContact CD2-CD2 3.88Å; W485-L521 HydrophobicContact CD2-CG 4.46Å; W485-L521 HydrophobicContact CE3-CB 3.87Å; W485-L521 HydrophobicContact CE3-CD2 4.12Å; W485-L521 HydrophobicContact CE3-CG 4.44Å; W485-L521 HydrophobicContact CG-CD2 4.05Å; W485-L521 HydrophobicContact CH2-CB 4.14Å; W485-L521 HydrophobicContact CH2-CD1 4.41Å; W485-L521 HydrophobicContact CZ2-CD1 4.07Å; W485-L521 HydrophobicContact CZ3-CB 3.77Å; L521-M557 HydrophobicContact CB-CE 4.42Å; L521-M557 WeakPolarHBondContact O-CE 3.48Å; L521-F560 HydrophobicContact CD1-CB 4.03Å; L521-F560 HydrophobicContact CD1-CD1 3.88Å; L521-F560 HydrophobicContact CD1-CG 4.42Å; L521-F560 HydrophobicContact CD2-CD1 4.28Å; L521-K563 WeakPolarHBondContact CB-O 3.49Å; L521-K563 PolarHBondContact N-O 2.94Å; L521-L565 PolarHBondContact O-N 3.15Å; L521-L565 VanDerWaalsContact O-N 3.09Å |
| 522 | P | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 138.8 | -172.6 | 37.1 | -35 | 0 | 0 | 0 | 112.7 | W481 L483 M486 V520 L565 | W481-P522 HydrophobicContact CB-CG 4.07Å; W481-P522 HydrophobicContact CD2-CB 3.75Å; W481-P522 HydrophobicContact CD2-CG 4.04Å; W481-P522 HydrophobicContact CE3-CB 3.75Å; W481-P522 HydrophobicContact CE3-CG 3.96Å; W481-P522 HydrophobicContact CG-CB 4.17Å; W481-P522 HydrophobicContact CG-CG 4.12Å; W481-P522 HydrophobicContact CZ3-CB 4.23Å; L483-P522 HydrophobicContact CD2-CG 4.21Å; M486-P522 HydrophobicContact CB-CG 4.28Å; M486-P522 WeakPolarHBondContact CG-O 3.36Å; V520-P522 VanDerWaalsContact O-CD 3.24Å; V520-P522 WeakPolarHBondContact O-CD 3.44Å; P522-L565 HydrophobicContact CB-CD2 4.14Å |
| 523 | L | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 75.9 | 155.1 | -70.5 | -178.3 | 0 | 0 | 0 | 107.8 | M486 L490 Y553 Y554 M557 L565 L566 F567 N570 | M486-L523 HydrophobicContact CG-CD2 4.25Å; L490-L523 HydrophobicContact CD1-CD2 3.8Å; L490-L523 HydrophobicContact CD2-CD2 3.9Å; L490-L523 HydrophobicContact CG-CD2 3.99Å; L523-Y553 HydrophobicContact CD1-CD1 4.42Å; L523-Y553 HydrophobicContact CD1-CE1 3.68Å; L523-Y553 HydrophobicContact CD2-CE1 4.2Å; L523-Y554 HydrophobicContact CD1-CD1 4.43Å; L523-Y554 HydrophobicContact CD1-CE1 3.82Å; L523-M557 HydrophobicContact CD1-SD 3.71Å; L523-M557 HydrophobicContact CG-CE 4.4Å; L523-M557 HydrophobicContact CG-SD 4.04Å; L523-L565 PolarHBondContact N-O 3.14Å; L523-L566 HydrophobicContact CB-CD1 3.92Å; L523-L566 HydrophobicContact CD1-CD1 4.09Å; L523-F567 PolarHBondContact O-N 3.17Å; L523-N570 PolarHBondContact O-ND2 3.4Å |
| 524 | S | 98.1 | Very high | 96.5 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 3% | 0.028 | 16% | 0.16 | C | C | . | . | trans | -85.3 | 179.2 | -167.6 | 67.6 | 0 | 0 | 0 | 0 | 113.8 | E247 D526 E527 | E247-S524 WeakPolarHBondContact OE2-CA 3.3Å; E247-S524 VanDerWaalsContact OE2-CB 3.32Å; E247-S524 WeakPolarHBondContact OE2-CB 3.39Å; S524-D526 VanDerWaalsContact C-N 3.27Å; S524-D526 PolarHBondContact O-N 2.96Å; S524-E527 PolarHBondContact O-N 3.29Å; S524-E527 VanDerWaalsContact O-N 3.15Å | ||
| 525 | H | 98 | Very high | 96.7 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -55.3 | -37.3 | 176 | 73 | -84.6 | 0 | 0 | 0 | 113.8 | E247 W298 Y300 E527 V528 F567 W578 | E247-H525 IonicContact OE1-CE1 3.48Å; E247-H525 IonicContact OE1-CG 3.78Å; E247-H525 IonicContact OE1-ND1 2.82Å; E247-H525 PolarHBondContact OE1-ND1 3.31Å; E247-H525 PolarHBondContact OE2-N 3.02Å; E247-H525 IonicContact OE2-ND1 3.73Å; W298-H525 AromaticContact CE3-CD2 3.53Å; W298-H525 AromaticContact CE3-NE2 3.62Å; W298-H525 AromaticContact CZ3-CD2 3.49Å; W298-H525 VanDerWaalsContact CZ3-CD2 3.49Å; W298-H525 WeakPolarHBondContact CZ3-CD2 3.37Å; W298-H525 AromaticContact CZ3-NE2 3.75Å; Y300-H525 AromaticContact CE2-CE1 3.95Å; Y300-H525 AromaticContact CE2-NE2 3.71Å; Y300-H525 AromaticContact CZ-CE1 3.91Å; Y300-H525 PolarHBondContact OH-CE1 3.39Å; H525-E527 PolarHBondContact O-N 3.05Å; H525-E527 VanDerWaalsContact O-N 3.17Å; H525-V528 WeakPolarHBondContact O-CG2 3.32Å; H525-V528 PolarHBondContact O-N 3.06Å; H525-V528 VanDerWaalsContact O-N 3.14Å; H525-F567 HydrophobicContact CB-CD1 3.87Å; H525-F567 HydrophobicContact CB-CD2 3.61Å; H525-F567 HydrophobicContact CB-CE1 3.67Å; H525-F567 HydrophobicContact CB-CE2 3.42Å; H525-F567 VanDerWaalsContact CB-CE2 3.42Å; H525-F567 HydrophobicContact CB-CG 3.81Å; H525-F567 HydrophobicContact CB-CZ 3.42Å; H525-F567 VanDerWaalsContact CB-CZ 3.42Å; H525-W578 HydrophobicContact CB-CE3 4.14Å; H525-W578 HydrophobicContact CB-CZ3 4.09Å; H525-W578 AromaticContact CD2-CZ3 3.89Å |
| 526 | D | 96.3 | Very high | 96.8 | Very high | 49 Ų | 49 | 28.4 Ų | 28.4 | 26% | 0.262 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -64.3 | -20 | 179.4 | -84.7 | -41.7 | 0 | 0 | 0 | 113.7 | S524 V528 V529 K532 | S524-D526 VanDerWaalsContact C-N 3.27Å; S524-D526 PolarHBondContact O-N 2.96Å; D526-V528 VanDerWaalsContact C-N 3.35Å; D526-V529 WeakPolarHBondContact O-CG2 3.32Å; D526-K532 WeakPolarHBondContact O-CD 3.34Å; D526-K532 WeakPolarHBondContact O-CE 3.32Å; D526-K532 PolarHBondContact O-NZ 3.47Å |
| 527 | E | 96.8 | Very high | 97 | Very high | 12 Ų | 12 | 27.7 Ų | 27.7 | 6% | 0.056 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -89.9 | 2.9 | 179.4 | -64.9 | -51.3 | 124.3 | 0 | 0 | 113.7 | M486 L490 S524 H525 K532 R538 | M486-E527 HydrophobicContact CE-CG 3.99Å; M486-E527 HydrophobicContact CG-CG 4.31Å; M486-E527 VanDerWaalsContact SD-CD 3.55Å; M486-E527 HydrophobicContact SD-CG 3.67Å; L490-E527 HydrophobicContact CD1-CB 4.4Å; L490-E527 HydrophobicContact CD1-CG 4.26Å; S524-E527 PolarHBondContact O-N 3.29Å; S524-E527 VanDerWaalsContact O-N 3.15Å; H525-E527 PolarHBondContact O-N 3.05Å; H525-E527 VanDerWaalsContact O-N 3.17Å; E527-K532 IonicContact OE1-NZ 3.03Å; E527-K532 PolarHBondContact OE1-NZ 2.93Å; E527-K532 IonicContact OE2-NZ 3.28Å; E527-R538 PolarHBondContact O-NH2 2.94Å; E527-R538 IonicContact OE2-CZ 2.63Å; E527-R538 IonicContact OE2-NH1 3.78Å; E527-R538 IonicContact OE2-NH2 3.75Å; E527-R538 PolarHBondContact OE2-NH2 3.44Å |
| 528 | V | 97.4 | Very high | 97 | Very high | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.024 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -131.7 | 30.9 | 179.6 | -65.6 | 0 | 0 | 0 | 0 | 113.3 | H525 D526 I535 F567 E577 W578 | H525-V528 WeakPolarHBondContact O-CG2 3.32Å; H525-V528 PolarHBondContact O-N 3.06Å; H525-V528 VanDerWaalsContact O-N 3.14Å; D526-V528 VanDerWaalsContact C-N 3.35Å; V528-I535 HydrophobicContact CG1-CD1 3.74Å; V528-I535 HydrophobicContact CG1-CG1 3.79Å; V528-F567 HydrophobicContact CG2-CD1 3.78Å; V528-F567 HydrophobicContact CG2-CE1 4.21Å; V528-E577 CarbonylContact O-C 3.56Å; V528-E577 VanDerWaalsContact O-CA 3.28Å; V528-E577 WeakPolarHBondContact O-CA 3.26Å; V528-E577 VanDerWaalsContact O-CB 3.23Å; V528-E577 WeakPolarHBondContact O-CB 3.48Å; V528-E577 WeakPolarHBondContact O-CG 3.18Å; V528-W578 HydrophobicContact CG2-CB 4.01Å; V528-W578 PolarHBondContact O-N 3.4Å |
| 529 | V | 96.9 | Very high | 97 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.024 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -137.9 | 178 | -178.7 | -66.6 | 0 | 0 | 0 | 0 | 111.9 | W298 D526 G531 K532 E577 W578 | W298-V529 HydrophobicContact CH2-CB 4.37Å; W298-V529 HydrophobicContact CH2-CG1 4.25Å; W298-V529 HydrophobicContact CH2-CG2 4.01Å; D526-V529 WeakPolarHBondContact O-CG2 3.32Å; V529-G531 VanDerWaalsContact C-N 3.27Å; V529-G531 PolarHBondContact O-N 3.38Å; V529-G531 VanDerWaalsContact O-N 3.16Å; V529-K532 VanDerWaalsContact O-CB 3.27Å; V529-K532 WeakPolarHBondContact O-CB 3.21Å; V529-K532 WeakPolarHBondContact O-CG 3.46Å; V529-K532 PolarHBondContact O-N 3.07Å; V529-E577 VanDerWaalsContact C-OE2 3.29Å; V529-W578 HydrophobicContact CG1-CB 4.13Å; V529-W578 HydrophobicContact CG1-CD2 4.29Å; V529-W578 HydrophobicContact CG1-CE3 3.43Å; V529-W578 VanDerWaalsContact CG1-CE3 3.43Å; V529-W578 HydrophobicContact CG1-CZ3 4.18Å |
| 530 | H | 93.1 | Very high | 97 | Very high | 147 Ų | 147 | 29.5 Ų | 29.5 | 68% | 0.681 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55 | 36.2 | 168.3 | -58.3 | 152.5 | 0 | 0 | 0 | 114.4 | W298 K532 E577 | W298-H530 AromaticContact CH2-CE1 3.61Å; W298-H530 AromaticContact CH2-NE2 3.85Å; W298-H530 AromaticContact CZ2-NE2 3.99Å; H530-K532 VanDerWaalsContact C-N 3.3Å; H530-K532 PolarHBondContact O-N 3.37Å; H530-E577 PolarHBondContact N-OE2 2.95Å |
| 531 | G | 93.8 | Very high | 96.9 | Very high | 58 Ų | 58 | 31.5 Ų | 31.5 | 60% | 0.598 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | 2.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | V529 K533 E577 | V529-G531 VanDerWaalsContact C-N 3.27Å; V529-G531 PolarHBondContact O-N 3.38Å; V529-G531 VanDerWaalsContact O-N 3.16Å; G531-K533 PolarHBondContact O-N 3.02Å; G531-E577 WeakPolarHBondContact CA-OE1 3.36Å; G531-E577 PolarHBondContact N-OE1 2.94Å; G531-E577 PolarHBondContact N-OE2 3.02Å |
| 532 | K | 95.6 | Very high | 96.7 | Very high | 84 Ų | 84 | 36 Ų | 36 | 37% | 0.365 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -75.7 | -6.2 | 176.9 | -59.3 | -179.8 | -179.3 | 173.4 | 0 | 113.5 | D526 E527 V529 H530 R538 E577 | D526-K532 WeakPolarHBondContact O-CD 3.34Å; D526-K532 WeakPolarHBondContact O-CE 3.32Å; D526-K532 PolarHBondContact O-NZ 3.47Å; E527-K532 IonicContact OE1-NZ 3.03Å; E527-K532 PolarHBondContact OE1-NZ 2.93Å; E527-K532 IonicContact OE2-NZ 3.28Å; V529-K532 VanDerWaalsContact O-CB 3.27Å; V529-K532 WeakPolarHBondContact O-CB 3.21Å; V529-K532 WeakPolarHBondContact O-CG 3.46Å; V529-K532 PolarHBondContact O-N 3.07Å; H530-K532 VanDerWaalsContact C-N 3.3Å; H530-K532 PolarHBondContact O-N 3.37Å; K532-R538 VanDerWaalsContact CB-NH2 3.32Å; K532-R538 PolarHBondContact O-NE 2.95Å; K532-E577 PolarHBondContact N-OE1 3.22Å |
| 533 | K | 96.5 | Very high | 96.6 | Very high | 114 Ų | 114 | 38.1 Ų | 38.1 | 50% | 0.496 | 22% | 0.218 | S | C | . | . | trans | 65.2 | 165 | -173.6 | -50.9 | 176.1 | 179.8 | 177.7 | 0 | 113.7 | G531 D537 R538 E577 | G531-K533 PolarHBondContact O-N 3.02Å; K533-D537 HydrophobicContact CB-CB 4.15Å; K533-D537 HydrophobicContact CD-CB 4.35Å; K533-R538 HydrophobicContact CB-CG 4.23Å; K533-E577 VanDerWaalsContact CA-OE1 3.26Å; K533-E577 WeakPolarHBondContact CA-OE1 3.14Å; K533-E577 PolarHBondContact N-OE1 2.63Å | ||
| 534 | S | 97 | Very high | 96.5 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.014 | 23% | 0.233 | C | C | . | . | trans | -64.6 | 160 | 164.4 | 69.4 | 0 | 0 | 0 | 0 | 111.2 | L536 D537 R538 Q574 G575 | S534-L536 PolarHBondContact O-N 2.81Å; S534-D537 PolarHBondContact O-N 3.17Å; S534-D537 VanDerWaalsContact O-N 3.14Å; S534-D537 PolarHBondContact OG-N 3.34Å; S534-D537 VanDerWaalsContact OG-N 3.15Å; S534-R538 WeakPolarHBondContact O-CG 3.07Å; S534-R538 PolarHBondContact O-N 2.98Å; S534-R538 VanDerWaalsContact O-N 3.12Å; S534-Q574 WeakPolarHBondContact CB-O 3.34Å; S534-Q574 PolarHBondContact OG-O 3.36Å; S534-G575 VanDerWaalsContact CB-O 3.22Å; S534-G575 WeakPolarHBondContact CB-O 3.35Å; S534-G575 VanDerWaalsContact OG-C 3.3Å; S534-G575 PolarHBondContact OG-O 2.8Å | ||
| 535 | I | 98.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.8 | -37.6 | 177.3 | -50 | -56.7 | 0 | 0 | 0 | 111.2 | L490 V528 D537 R538 M539 L550 Y553 | L490-I535 HydrophobicContact CD2-CD1 4.06Å; L490-I535 HydrophobicContact CD2-CG2 4.39Å; V528-I535 HydrophobicContact CG1-CD1 3.74Å; V528-I535 HydrophobicContact CG1-CG1 3.79Å; I535-D537 PolarHBondContact O-N 2.85Å; I535-R538 PolarHBondContact O-N 3.35Å; I535-M539 HydrophobicContact CG2-CE 3.68Å; I535-M539 WeakPolarHBondContact O-CE 3.33Å; I535-L550 HydrophobicContact CB-CD1 4.18Å; I535-L550 HydrophobicContact CG2-CD1 3.49Å; I535-L550 VanDerWaalsContact CG2-CD1 3.49Å; I535-Y553 HydrophobicContact CG2-CD1 4.47Å |
| 536 | L | 98.1 | Very high | 96.4 | Very high | 12 Ų | 12 | 46.8 Ų | 46.8 | 6% | 0.063 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62 | -43.8 | 176.3 | 179.7 | 65.8 | 0 | 0 | 0 | 112 | S534 R538 M539 K546 F547 L550 A573 | S534-L536 PolarHBondContact O-N 2.81Å; L536-R538 VanDerWaalsContact C-N 3.28Å; L536-R538 PolarHBondContact O-N 2.64Å; L536-M539 WeakPolarHBondContact O-CB 3.36Å; L536-M539 PolarHBondContact O-N 3.31Å; L536-M539 VanDerWaalsContact O-N 3.09Å; L536-K546 HydrophobicContact CD1-CB 3.93Å; L536-F547 HydrophobicContact CD1-CD1 3.88Å; L536-F547 HydrophobicContact CD1-CE1 4.01Å; L536-F547 HydrophobicContact CD1-CG 4.15Å; L536-F547 HydrophobicContact CD1-CZ 4.34Å; L536-F547 HydrophobicContact CD2-CE1 3.81Å; L536-F547 HydrophobicContact CD2-CE2 4.4Å; L536-F547 HydrophobicContact CD2-CZ 3.72Å; L536-L550 HydrophobicContact CB-CD2 4.25Å; L536-L550 HydrophobicContact CD1-CD2 4.05Å; L536-A573 HydrophobicContact CB-CB 4.42Å; L536-A573 HydrophobicContact CD1-CB 4.43Å; L536-A573 HydrophobicContact CD2-CB 4.14Å; L536-A573 WeakPolarHBondContact CD2-O 3.36Å |
| 537 | D | 96.4 | Very high | 96.5 | Very high | 65 Ų | 65 | 45 Ų | 45 | 35% | 0.348 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -80.7 | -6.2 | -177.4 | -91.6 | -17.4 | 0 | 0 | 0 | 114.6 | K533 S534 I535 K546 | K533-D537 HydrophobicContact CB-CB 4.15Å; K533-D537 HydrophobicContact CD-CB 4.35Å; S534-D537 PolarHBondContact O-N 3.17Å; S534-D537 VanDerWaalsContact O-N 3.14Å; S534-D537 PolarHBondContact OG-N 3.34Å; S534-D537 VanDerWaalsContact OG-N 3.15Å; I535-D537 PolarHBondContact O-N 2.85Å; D537-K546 IonicContact OD1-NZ 3.45Å; D537-K546 PolarHBondContact OD1-NZ 3.28Å |
| 538 | R | 96.2 | Very high | 96.6 | Very high | 38 Ų | 38 | 45.4 Ų | 45.4 | 14% | 0.143 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -76.2 | -22.8 | 162.6 | -66.2 | -178.6 | -174.2 | -157.8 | 12.6 | 112.3 | L490 K494 E527 K532 K533 S534 I535 L536 | L490-R538 VanDerWaalsContact CD1-NH1 3.29Å; K494-R538 WeakPolarHBondContact CA-O 3.32Å; E527-R538 PolarHBondContact O-NH2 2.94Å; E527-R538 IonicContact OE2-CZ 2.63Å; E527-R538 IonicContact OE2-NH1 3.78Å; E527-R538 IonicContact OE2-NH2 3.75Å; E527-R538 PolarHBondContact OE2-NH2 3.44Å; K532-R538 VanDerWaalsContact CB-NH2 3.32Å; K532-R538 PolarHBondContact O-NE 2.95Å; K533-R538 HydrophobicContact CB-CG 4.23Å; S534-R538 WeakPolarHBondContact O-CG 3.07Å; S534-R538 PolarHBondContact O-N 2.98Å; S534-R538 VanDerWaalsContact O-N 3.12Å; I535-R538 PolarHBondContact O-N 3.35Å; L536-R538 VanDerWaalsContact C-N 3.28Å; L536-R538 PolarHBondContact O-N 2.64Å |
| 539 | M | 97.8 | Very high | 96.6 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.02 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -72.4 | 140.2 | -177.1 | -57.3 | -58.7 | 157.9 | 0 | 0 | 112 | M493 I535 L536 K546 N549 L550 Y553 | M493-M539 HydrophobicContact CB-CE 4.12Å; M493-M539 HydrophobicContact CB-SD 4Å; M493-M539 HydrophobicContact CE-SD 3.85Å; I535-M539 HydrophobicContact CG2-CE 3.68Å; I535-M539 WeakPolarHBondContact O-CE 3.33Å; L536-M539 WeakPolarHBondContact O-CB 3.36Å; L536-M539 PolarHBondContact O-N 3.31Å; L536-M539 VanDerWaalsContact O-N 3.09Å; M539-K546 HydrophobicContact CB-CB 4.1Å; M539-K546 HydrophobicContact CB-CG 4.11Å; M539-K546 VanDerWaalsContact O-CE 3.27Å; M539-K546 WeakPolarHBondContact O-CE 3.4Å; M539-K546 WeakPolarHBondContact O-CG 3.17Å; M539-N549 HydrophobicContact CB-CB 3.93Å; M539-N549 HydrophobicContact CG-CB 3.93Å; M539-N549 HydrophobicContact SD-CB 3.68Å; M539-L550 HydrophobicContact CE-CD1 3.91Å; M539-L550 HydrophobicContact CG-CB 4.31Å; M539-Y553 HydrophobicContact CE-CD1 3.93Å |
| 540 | P | 97.1 | Very high | 96.7 | Very high | 20 Ų | 20 | 45.8 Ų | 45.8 | 13% | 0.13 | 25% | 0.251 | C | S | . | . | trans | -83.3 | 166.9 | 178.1 | 36.4 | -40.1 | 0 | 0 | 0 | 112.3 | M493 L495 N549 | M493-P540 VanDerWaalsContact O-CD 3.22Å; M493-P540 WeakPolarHBondContact O-CD 3.43Å; L495-P540 WeakPolarHBondContact O-CG 3.17Å; P540-N549 PolarHBondContact O-ND2 3.49Å | ||
| 541 | G | 96 | Very high | 97 | Very high | 43 Ų | 43 | 38.9 Ų | 38.9 | 44% | 0.443 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 94.8 | -170.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 542 | D | 96.3 | Very high | 97.2 | Very high | 93 Ų | 93 | 37 Ų | 37 | 50% | 0.497 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -69.2 | 177.4 | 172.9 | 69.2 | 33.8 | 0 | 0 | 0 | 112.2 | W544 Q545 K546 | D542-W544 VanDerWaalsContact C-N 3.32Å; D542-W544 PolarHBondContact O-N 3.48Å; D542-W544 WeakPolarHBondContact OD1-CA 3.49Å; D542-W544 WeakPolarHBondContact OD1-CB 3.5Å; D542-W544 PolarHBondContact OD1-N 3.49Å; D542-Q545 VanDerWaalsContact N-OE1 3.14Å; D542-Q545 PolarHBondContact O-N 3.07Å; D542-Q545 WeakPolarHBondContact OD1-CG 3.39Å; D542-Q545 PolarHBondContact OD1-N 2.84Å; D542-K546 WeakPolarHBondContact O-CG 3.48Å; D542-K546 PolarHBondContact O-N 2.87Å |
| 543 | A | 94.7 | Very high | 97.3 | Very high | 46 Ų | 46 | 33.1 Ų | 33.1 | 38% | 0.38 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -55.9 | -45.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q545 K546 F547 W595 | A543-Q545 VanDerWaalsContact C-N 3.35Å; A543-Q545 PolarHBondContact O-N 2.79Å; A543-K546 PolarHBondContact O-N 2.9Å; A543-F547 WeakPolarHBondContact O-CD2 3.23Å; A543-F547 PolarHBondContact O-N 3.03Å; A543-W595 HydrophobicContact CB-CE3 4.35Å; A543-W595 HydrophobicContact CB-CH2 3.87Å; A543-W595 HydrophobicContact CB-CZ3 3.53Å |
| 544 | W | 96 | Very high | 97.4 | Very high | 81 Ų | 81 | 27.7 Ų | 27.7 | 31% | 0.307 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62.6 | -43.8 | 179.6 | -179.9 | 86.7 | 0 | 0 | 0 | 111.2 | D542 K546 F547 A548 H687 | D542-W544 VanDerWaalsContact C-N 3.32Å; D542-W544 PolarHBondContact O-N 3.48Å; D542-W544 WeakPolarHBondContact OD1-CA 3.49Å; D542-W544 WeakPolarHBondContact OD1-CB 3.5Å; D542-W544 PolarHBondContact OD1-N 3.49Å; W544-K546 PolarHBondContact O-N 2.87Å; W544-F547 PolarHBondContact O-N 3.43Å; W544-A548 HydrophobicContact CE3-CB 4.37Å; W544-A548 HydrophobicContact CH2-CB 4.18Å; W544-A548 HydrophobicContact CZ2-CB 4.4Å; W544-A548 HydrophobicContact CZ3-CB 4.17Å; W544-A548 WeakPolarHBondContact O-CB 3.47Å; W544-A548 PolarHBondContact O-N 3.46Å; W544-H687 PolarHBondContact NE1-O 3.4Å |
| 545 | Q | 97.2 | Very high | 97.4 | Very high | 52 Ų | 52 | 28.3 Ų | 28.3 | 24% | 0.243 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.9 | -36.9 | 177.6 | -69.3 | 179.4 | -35.7 | 0 | 0 | 112.6 | D542 A543 A548 N549 | D542-Q545 VanDerWaalsContact N-OE1 3.14Å; D542-Q545 PolarHBondContact O-N 3.07Å; D542-Q545 WeakPolarHBondContact OD1-CG 3.39Å; D542-Q545 PolarHBondContact OD1-N 2.84Å; A543-Q545 VanDerWaalsContact C-N 3.35Å; A543-Q545 PolarHBondContact O-N 2.79Å; Q545-A548 PolarHBondContact O-N 3.19Å; Q545-N549 WeakPolarHBondContact O-CB 3.49Å; Q545-N549 PolarHBondContact O-N 3.17Å; Q545-N549 PolarHBondContact O-ND2 3.41Å |
| 546 | K | 98.1 | Very high | 97.4 | Very high | 53 Ų | 53 | 28.2 Ų | 28.2 | 23% | 0.23 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59 | -50.6 | 174 | -76 | -170.1 | 167.9 | -172.9 | 0 | 111.4 | L536 D537 M539 D542 A543 W544 A548 N549 L550 | L536-K546 HydrophobicContact CD1-CB 3.93Å; D537-K546 IonicContact OD1-NZ 3.45Å; D537-K546 PolarHBondContact OD1-NZ 3.28Å; M539-K546 HydrophobicContact CB-CB 4.1Å; M539-K546 HydrophobicContact CB-CG 4.11Å; M539-K546 VanDerWaalsContact O-CE 3.27Å; M539-K546 WeakPolarHBondContact O-CE 3.4Å; M539-K546 WeakPolarHBondContact O-CG 3.17Å; D542-K546 WeakPolarHBondContact O-CG 3.48Å; D542-K546 PolarHBondContact O-N 2.87Å; A543-K546 PolarHBondContact O-N 2.9Å; W544-K546 PolarHBondContact O-N 2.87Å; K546-A548 VanDerWaalsContact C-N 3.35Å; K546-A548 PolarHBondContact O-N 2.76Å; K546-N549 PolarHBondContact O-N 3.33Å; K546-L550 PolarHBondContact O-N 3.3Å |
| 547 | F | 98.4 | Very high | 97.4 | Very high | 12 Ų | 12 | 27.7 Ų | 27.7 | 5% | 0.053 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.1 | -39.3 | 176.2 | -72.7 | -77.3 | 0 | 0 | 0 | 111.7 | L536 A543 W544 L550 R551 A573 W595 H596 V599 | L536-F547 HydrophobicContact CD1-CD1 3.88Å; L536-F547 HydrophobicContact CD1-CE1 4.01Å; L536-F547 HydrophobicContact CD1-CG 4.15Å; L536-F547 HydrophobicContact CD1-CZ 4.34Å; L536-F547 HydrophobicContact CD2-CE1 3.81Å; L536-F547 HydrophobicContact CD2-CE2 4.4Å; L536-F547 HydrophobicContact CD2-CZ 3.72Å; A543-F547 WeakPolarHBondContact O-CD2 3.23Å; A543-F547 PolarHBondContact O-N 3.03Å; W544-F547 PolarHBondContact O-N 3.43Å; F547-L550 PolarHBondContact O-N 3Å; F547-R551 WeakPolarHBondContact O-CB 3.2Å; F547-R551 VanDerWaalsContact O-CG 3.3Å; F547-R551 WeakPolarHBondContact O-CG 3.11Å; F547-R551 PolarHBondContact O-N 3.25Å; F547-A573 HydrophobicContact CD1-CB 4.19Å; F547-A573 HydrophobicContact CE1-CB 3.81Å; F547-W595 HydrophobicContact CD1-CB 3.8Å; F547-W595 HydrophobicContact CD2-CB 3.6Å; F547-W595 AromaticContact CD2-CD2 3.83Å; F547-W595 HydrophobicContact CD2-CD2 3.83Å; F547-W595 AromaticContact CD2-CE3 3.76Å; F547-W595 HydrophobicContact CD2-CE3 3.76Å; F547-W595 AromaticContact CD2-CG 3.81Å; F547-W595 HydrophobicContact CD2-CG 3.81Å; F547-W595 HydrophobicContact CE1-CB 3.75Å; F547-W595 HydrophobicContact CE2-CB 3.62Å; F547-W595 AromaticContact CE2-CD2 3.94Å; F547-W595 HydrophobicContact CE2-CD2 3.94Å; F547-W595 AromaticContact CE2-CE3 3.47Å; F547-W595 HydrophobicContact CE2-CE3 3.47Å; F547-W595 VanDerWaalsContact CE2-CE3 3.47Å; F547-W595 HydrophobicContact CE2-CG 4.05Å; F547-W595 HydrophobicContact CE2-CZ3 4.38Å; F547-W595 HydrophobicContact CG-CB 3.74Å; F547-W595 HydrophobicContact CG-CG 4.23Å; F547-W595 HydrophobicContact CZ-CB 3.68Å; F547-W595 HydrophobicContact CZ-CE3 4.39Å; F547-H596 AromaticContact CE1-CE1 3.89Å; F547-H596 AromaticContact CE1-ND1 3.87Å; F547-H596 AromaticContact CZ-CE1 3.61Å; F547-H596 AromaticContact CZ-NE2 3.78Å; F547-V599 HydrophobicContact CD1-CG2 3.78Å; F547-V599 HydrophobicContact CE1-CG2 4.48Å |
| 548 | A | 98 | Very high | 97.5 | Very high | 20 Ų | 20 | 24.6 Ų | 24.6 | 17% | 0.165 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64 | -43.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | W544 Q545 K546 R551 A552 | W544-A548 HydrophobicContact CE3-CB 4.37Å; W544-A548 HydrophobicContact CH2-CB 4.18Å; W544-A548 HydrophobicContact CZ2-CB 4.4Å; W544-A548 HydrophobicContact CZ3-CB 4.17Å; W544-A548 WeakPolarHBondContact O-CB 3.47Å; W544-A548 PolarHBondContact O-N 3.46Å; Q545-A548 PolarHBondContact O-N 3.19Å; K546-A548 VanDerWaalsContact C-N 3.35Å; K546-A548 PolarHBondContact O-N 2.76Å; A548-R551 PolarHBondContact O-N 2.83Å; A548-A552 WeakPolarHBondContact O-CB 3.28Å; A548-A552 PolarHBondContact O-N 3.03Å |
| 549 | N | 98.1 | Very high | 97.6 | Very high | 16 Ų | 16 | 23 Ų | 23 | 9% | 0.086 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.5 | -45.1 | 174.3 | -84 | -68.2 | 0 | 0 | 0 | 111.4 | M493 R500 M539 P540 Q545 K546 R551 A552 Y553 | M493-N549 HydrophobicContact CE-CB 3.76Å; M493-N549 VanDerWaalsContact CE-O 3.29Å; M493-N549 WeakPolarHBondContact CE-O 3.44Å; R500-N549 VanDerWaalsContact CZ-OD1 3.29Å; R500-N549 PolarHBondContact NH1-OD1 2.95Å; R500-N549 PolarHBondContact NH2-OD1 3.26Å; M539-N549 HydrophobicContact CB-CB 3.93Å; M539-N549 HydrophobicContact CG-CB 3.93Å; M539-N549 HydrophobicContact SD-CB 3.68Å; P540-N549 PolarHBondContact O-ND2 3.49Å; Q545-N549 WeakPolarHBondContact O-CB 3.49Å; Q545-N549 PolarHBondContact O-N 3.17Å; Q545-N549 PolarHBondContact O-ND2 3.41Å; K546-N549 PolarHBondContact O-N 3.33Å; N549-R551 PolarHBondContact O-N 3.09Å; N549-A552 PolarHBondContact O-N 2.82Å; N549-Y553 WeakPolarHBondContact O-CB 3.46Å; N549-Y553 PolarHBondContact O-N 3.37Å |
| 550 | L | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61 | -45.9 | 177.9 | -173.5 | 62.4 | 0 | 0 | 0 | 111.7 | I535 L536 M539 K546 F547 A552 Y553 Y554 A573 V599 | I535-L550 HydrophobicContact CB-CD1 4.18Å; I535-L550 HydrophobicContact CG2-CD1 3.49Å; I535-L550 VanDerWaalsContact CG2-CD1 3.49Å; L536-L550 HydrophobicContact CB-CD2 4.25Å; L536-L550 HydrophobicContact CD1-CD2 4.05Å; M539-L550 HydrophobicContact CE-CD1 3.91Å; M539-L550 HydrophobicContact CG-CB 4.31Å; K546-L550 PolarHBondContact O-N 3.3Å; F547-L550 PolarHBondContact O-N 3Å; L550-A552 PolarHBondContact O-N 2.99Å; L550-Y553 PolarHBondContact O-N 2.96Å; L550-Y554 HydrophobicContact CD1-CD1 4.44Å; L550-Y554 HydrophobicContact CD1-CD2 4.49Å; L550-Y554 HydrophobicContact CD1-CE1 3.82Å; L550-Y554 HydrophobicContact CD1-CE2 3.87Å; L550-Y554 VanDerWaalsContact CD1-CZ 3.49Å; L550-Y554 HydrophobicContact CD2-CE2 4.19Å; L550-Y554 HydrophobicContact CG-CD2 4.25Å; L550-Y554 HydrophobicContact CG-CE2 3.79Å; L550-Y554 PolarHBondContact O-N 3.35Å; L550-A573 HydrophobicContact CD2-CB 3.43Å; L550-A573 VanDerWaalsContact CD2-CB 3.43Å; L550-V599 HydrophobicContact CD2-CG1 4.15Å; L550-V599 HydrophobicContact CD2-CG2 4.4Å |
| 551 | R | 98.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 22 Ų | 22 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.8 | -43.1 | 176.5 | -71.2 | -163.9 | -51.9 | -87.6 | -5.1 | 112.3 | F547 A548 N549 Y553 Y554 G555 V599 L602 T681 Y686 | F547-R551 WeakPolarHBondContact O-CB 3.2Å; F547-R551 VanDerWaalsContact O-CG 3.3Å; F547-R551 WeakPolarHBondContact O-CG 3.11Å; F547-R551 PolarHBondContact O-N 3.25Å; A548-R551 PolarHBondContact O-N 2.83Å; N549-R551 PolarHBondContact O-N 3.09Å; R551-Y553 VanDerWaalsContact C-N 3.33Å; R551-Y554 PolarHBondContact O-N 3.38Å; R551-G555 PolarHBondContact O-N 3.15Å; R551-V599 HydrophobicContact CG-CG2 4.03Å; R551-L602 HydrophobicContact CB-CD2 3.42Å; R551-L602 VanDerWaalsContact CB-CD2 3.42Å; R551-L602 HydrophobicContact CG-CD2 3.48Å; R551-L602 VanDerWaalsContact CG-CD2 3.48Å; R551-T681 WeakPolarHBondContact CD-O 3.42Å; R551-T681 PolarHBondContact NE-O 2.92Å; R551-T681 WeakPolarHBondContact O-CG2 3.48Å; R551-Y686 WeakPolarHBondContact CD-O 3.39Å; R551-Y686 PolarHBondContact NE-O 3.01Å; R551-Y686 PolarHBondContact NH1-O 2.79Å; R551-Y686 VanDerWaalsContact NH1-O 3.17Å |
| 552 | A | 98 | Very high | 97.7 | Very high | 20 Ų | 20 | 19.9 Ų | 19.9 | 17% | 0.165 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.2 | -41.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A548 N549 L550 G555 W556 F657 | A548-A552 WeakPolarHBondContact O-CB 3.28Å; A548-A552 PolarHBondContact O-N 3.03Å; N549-A552 PolarHBondContact O-N 2.82Å; L550-A552 PolarHBondContact O-N 2.99Å; A552-G555 PolarHBondContact O-N 2.97Å; A552-W556 PolarHBondContact O-N 3.15Å; A552-F657 HydrophobicContact CB-CD1 4.45Å; A552-F657 HydrophobicContact CB-CE1 4.36Å |
| 553 | Y | 98.3 | Very high | 97.9 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 0% | 0.004 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -66.7 | -41.1 | 178.3 | -177.5 | -141.9 | 0 | 0 | 0 | 112.9 | W485 T489 L490 M493 L523 I535 M539 N549 L550 R551 W556 M557 | W485-Y553 HydrophobicContact CH2-CE2 4.16Å; W485-Y553 HydrophobicContact CZ2-CE2 4.4Å; T489-Y553 HydrophobicContact CG2-CE2 4.44Å; T489-Y553 PolarHBondContact OG1-OH 2.95Å; L490-Y553 HydrophobicContact CD2-CE1 3.7Å; M493-Y553 HydrophobicContact CG-CD1 4.23Å; M493-Y553 HydrophobicContact CG-CD2 3.78Å; M493-Y553 HydrophobicContact CG-CE2 4.28Å; M493-Y553 HydrophobicContact CG-CG 3.76Å; M493-Y553 HydrophobicContact SD-CD2 4.42Å; M493-Y553 HydrophobicContact SD-CG 4.41Å; L523-Y553 HydrophobicContact CD1-CD1 4.42Å; L523-Y553 HydrophobicContact CD1-CE1 3.68Å; L523-Y553 HydrophobicContact CD2-CE1 4.2Å; I535-Y553 HydrophobicContact CG2-CD1 4.47Å; M539-Y553 HydrophobicContact CE-CD1 3.93Å; N549-Y553 WeakPolarHBondContact O-CB 3.46Å; N549-Y553 PolarHBondContact O-N 3.37Å; L550-Y553 PolarHBondContact O-N 2.96Å; R551-Y553 VanDerWaalsContact C-N 3.33Å; Y553-W556 WeakPolarHBondContact O-CB 3.29Å; Y553-W556 PolarHBondContact O-N 3.24Å; Y553-M557 WeakPolarHBondContact O-CB 3.44Å; Y553-M557 PolarHBondContact O-N 3.05Å |
| 554 | Y | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 0% | 0.004 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66.7 | -37.2 | 174.1 | -68.4 | -16.2 | 0 | 0 | 0 | 112.6 | L523 L550 R551 W556 M557 W558 L566 N570 V599 V603 | L523-Y554 HydrophobicContact CD1-CD1 4.43Å; L523-Y554 HydrophobicContact CD1-CE1 3.82Å; L550-Y554 HydrophobicContact CD1-CD1 4.44Å; L550-Y554 HydrophobicContact CD1-CD2 4.49Å; L550-Y554 HydrophobicContact CD1-CE1 3.82Å; L550-Y554 HydrophobicContact CD1-CE2 3.87Å; L550-Y554 VanDerWaalsContact CD1-CZ 3.49Å; L550-Y554 HydrophobicContact CD2-CE2 4.19Å; L550-Y554 HydrophobicContact CG-CD2 4.25Å; L550-Y554 HydrophobicContact CG-CE2 3.79Å; L550-Y554 PolarHBondContact O-N 3.35Å; R551-Y554 PolarHBondContact O-N 3.38Å; Y554-W556 VanDerWaalsContact C-N 3.3Å; Y554-W556 PolarHBondContact O-N 3.1Å; Y554-M557 PolarHBondContact O-N 3.28Å; Y554-W558 PolarHBondContact O-N 3.09Å; Y554-L566 HydrophobicContact CE1-CD1 3.98Å; Y554-N570 WeakPolarHBondContact OH-CB 3.36Å; Y554-N570 PolarHBondContact OH-O 3.41Å; Y554-N570 VanDerWaalsContact OH-O 3.09Å; Y554-V599 HydrophobicContact CD2-CG1 4.14Å; Y554-V599 HydrophobicContact CE2-CG1 3.89Å; Y554-V603 HydrophobicContact CD2-CG2 3.63Å; Y554-V603 HydrophobicContact CE2-CG2 3.93Å |
| 555 | G | 98 | Very high | 98.2 | Very high | 14 Ų | 14 | 9.4 Ų | 9.4 | 14% | 0.144 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -57.1 | -44.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R551 A552 A559 | R551-G555 PolarHBondContact O-N 3.15Å; A552-G555 PolarHBondContact O-N 2.97Å; G555-A559 VanDerWaalsContact O-CB 3.22Å; G555-A559 WeakPolarHBondContact O-CB 3.32Å; G555-A559 PolarHBondContact O-N 3.16Å |
| 556 | W | 97.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -61.7 | -51.8 | 174.8 | 176.1 | -95.6 | 0 | 0 | 0 | 112.8 | W485 L507 A552 Y553 Y554 W558 A559 F560 W628 L639 F641 F657 | W485-W556 AromaticContact NE1-NE1 3.91Å; L507-W556 HydrophobicContact CB-CH2 4.26Å; L507-W556 HydrophobicContact CB-CZ2 3.94Å; L507-W556 HydrophobicContact CD2-CZ2 4.45Å; L507-W556 WeakPolarHBondContact O-CZ2 3.31Å; A552-W556 PolarHBondContact O-N 3.15Å; Y553-W556 WeakPolarHBondContact O-CB 3.29Å; Y553-W556 PolarHBondContact O-N 3.24Å; Y554-W556 VanDerWaalsContact C-N 3.3Å; Y554-W556 PolarHBondContact O-N 3.1Å; W556-W558 PolarHBondContact O-N 2.93Å; W556-A559 PolarHBondContact O-N 2.98Å; W556-A559 VanDerWaalsContact O-N 3.09Å; W556-F560 AromaticContact CE2-CD2 3.97Å; W556-F560 AromaticContact CZ2-CD2 3.77Å; W556-F560 HydrophobicContact CZ2-CD2 3.77Å; W556-F560 HydrophobicContact CZ2-CE2 4.13Å; W556-F560 WeakPolarHBondContact O-CB 3.34Å; W556-F560 PolarHBondContact O-N 3.45Å; W556-W628 AromaticContact CH2-CH2 3.76Å; W556-W628 HydrophobicContact CH2-CH2 3.76Å; W556-W628 HydrophobicContact CH2-CZ3 4.13Å; W556-W628 HydrophobicContact CZ2-CH2 4.45Å; W556-L639 HydrophobicContact CH2-CB 4.15Å; W556-L639 HydrophobicContact CH2-CD1 3.76Å; W556-L639 HydrophobicContact CH2-CG 4.39Å; W556-L639 HydrophobicContact CZ3-CB 3.77Å; W556-L639 HydrophobicContact CZ3-CD1 3.96Å; W556-L639 HydrophobicContact CZ3-CG 4.43Å; W556-F641 HydrophobicContact CE3-CE1 4.02Å; W556-F641 HydrophobicContact CH2-CE1 4.08Å; W556-F641 HydrophobicContact CZ3-CD1 4.22Å; W556-F641 AromaticContact CZ3-CE1 3.62Å; W556-F641 HydrophobicContact CZ3-CE1 3.62Å; W556-F657 HydrophobicContact CB-CE1 4.44Å; W556-F657 HydrophobicContact CB-CZ 3.99Å; W556-F657 HydrophobicContact CD2-CE2 4.43Å; W556-F657 AromaticContact CD2-CZ 3.92Å; W556-F657 HydrophobicContact CD2-CZ 3.92Å; W556-F657 AromaticContact CE3-CE2 3.92Å; W556-F657 HydrophobicContact CE3-CE2 3.92Å; W556-F657 AromaticContact CE3-CZ 3.68Å; W556-F657 HydrophobicContact CE3-CZ 3.68Å; W556-F657 HydrophobicContact CG-CZ 4.07Å; W556-F657 HydrophobicContact CZ3-CE2 4.16Å; W556-F657 HydrophobicContact CZ3-CZ 4.37Å |
| 557 | M | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -58 | -45 | -178.2 | 174.8 | 178.6 | 176.8 | 0 | 0 | 112.7 | W485 L521 L523 Y553 Y554 A559 K564 L565 | W485-M557 HydrophobicContact CH2-CB 3.79Å; W485-M557 HydrophobicContact CH2-CG 3.6Å; W485-M557 HydrophobicContact CH2-SD 4.16Å; W485-M557 HydrophobicContact CZ2-CB 4.09Å; W485-M557 HydrophobicContact CZ2-CG 4.21Å; W485-M557 HydrophobicContact CZ3-CG 4.46Å; L521-M557 HydrophobicContact CB-CE 4.42Å; L521-M557 WeakPolarHBondContact O-CE 3.48Å; L523-M557 HydrophobicContact CD1-SD 3.71Å; L523-M557 HydrophobicContact CG-CE 4.4Å; L523-M557 HydrophobicContact CG-SD 4.04Å; Y553-M557 WeakPolarHBondContact O-CB 3.44Å; Y553-M557 PolarHBondContact O-N 3.05Å; Y554-M557 PolarHBondContact O-N 3.28Å; M557-A559 VanDerWaalsContact C-N 3.27Å; M557-A559 PolarHBondContact O-N 2.76Å; M557-K564 HydrophobicContact CE-CB 4.45Å; M557-K564 WeakPolarHBondContact O-CE 3.5Å; M557-K564 PolarHBondContact O-NZ 3.44Å; M557-L565 WeakPolarHBondContact CE-O 3.34Å |
| 558 | W | 98.4 | Very high | 98.3 | Very high | 1 Ų | 1 | 4 Ų | 4 | 0% | 0.004 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -68 | -29.5 | 178.3 | -99.9 | -111.6 | 0 | 0 | 0 | 112.5 | F281 Y554 W556 K564 L566 V603 L606 N607 | F281-W558 HydrophobicContact CE1-CZ2 4.45Å; Y554-W558 PolarHBondContact O-N 3.09Å; W556-W558 PolarHBondContact O-N 2.93Å; W558-K564 HydrophobicContact CD2-CG 4.34Å; W558-K564 HydrophobicContact CG-CG 4.49Å; W558-K564 HydrophobicContact CZ2-CB 4.29Å; W558-K564 VanDerWaalsContact O-CE 3.27Å; W558-K564 WeakPolarHBondContact O-CE 3.36Å; W558-K564 PolarHBondContact O-NZ 3.45Å; W558-L566 HydrophobicContact CH2-CB 4.22Å; W558-L566 HydrophobicContact CH2-CD2 4.18Å; W558-V603 HydrophobicContact CH2-CG1 4.43Å; W558-V603 HydrophobicContact CZ2-CG1 4.47Å; W558-L606 HydrophobicContact CB-CB 4.43Å; W558-L606 HydrophobicContact CB-CD2 4.07Å; W558-L606 HydrophobicContact CD2-CB 4.21Å; W558-L606 HydrophobicContact CD2-CD1 4.4Å; W558-L606 HydrophobicContact CE3-CD1 4.49Å; W558-L606 HydrophobicContact CG-CB 3.87Å; W558-L606 HydrophobicContact CG-CD1 4.43Å; W558-L606 HydrophobicContact CG-CD2 4.42Å; W558-L606 HydrophobicContact CG-CG 4.48Å; W558-N607 VanDerWaalsContact CZ2-OD1 3.27Å; W558-N607 WeakPolarHBondContact CZ2-OD1 3.32Å; W558-N607 PolarHBondContact NE1-OD1 3.13Å |
| 559 | A | 97.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 3 Ų | 3 | 3% | 0.033 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -85.4 | -31.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | G555 W556 M557 M616 F641 R643 V653 | G555-A559 VanDerWaalsContact O-CB 3.22Å; G555-A559 WeakPolarHBondContact O-CB 3.32Å; G555-A559 PolarHBondContact O-N 3.16Å; W556-A559 PolarHBondContact O-N 2.98Å; W556-A559 VanDerWaalsContact O-N 3.09Å; M557-A559 VanDerWaalsContact C-N 3.27Å; M557-A559 PolarHBondContact O-N 2.76Å; A559-M616 HydrophobicContact CB-CE 4.12Å; A559-F641 HydrophobicContact CB-CE2 4.27Å; A559-F641 HydrophobicContact CB-CZ 3.8Å; A559-F641 WeakPolarHBondContact O-CE2 3.34Å; A559-R643 WeakPolarHBondContact O-CD 3.16Å; A559-R643 PolarHBondContact O-NH1 3.38Å; A559-V653 HydrophobicContact CB-CB 4.17Å; A559-V653 HydrophobicContact CB-CG1 3.52Å; A559-V653 HydrophobicContact CB-CG2 3.65Å |
| 560 | F | 98.1 | Very high | 98.3 | Very high | 0 Ų | 0 | 2.5 Ų | 2.5 | 0% | 0 | 2% | 0.02 | C | C | . | . | S | Bend | trans | -62.6 | 144.2 | 178.2 | -163.7 | -93.2 | 0 | 0 | 0 | 110.8 | W485 I511 L521 W556 K564 R643 | W485-F560 AromaticContact CD1-CD1 3.77Å; W485-F560 AromaticContact CD1-CE1 3.55Å; W485-F560 AromaticContact CD1-CZ 3.86Å; W485-F560 AromaticContact NE1-CD1 3.45Å; W485-F560 AromaticContact NE1-CD2 3.97Å; W485-F560 AromaticContact NE1-CE1 3.72Å; W485-F560 AromaticContact NE1-CG 3.6Å; I511-F560 HydrophobicContact CB-CZ 4.21Å; I511-F560 HydrophobicContact CD1-CZ 4.13Å; L521-F560 HydrophobicContact CD1-CB 4.03Å; L521-F560 HydrophobicContact CD1-CD1 3.88Å; L521-F560 HydrophobicContact CD1-CG 4.42Å; L521-F560 HydrophobicContact CD2-CD1 4.28Å; W556-F560 AromaticContact CE2-CD2 3.97Å; W556-F560 AromaticContact CZ2-CD2 3.77Å; W556-F560 HydrophobicContact CZ2-CD2 3.77Å; W556-F560 HydrophobicContact CZ2-CE2 4.13Å; W556-F560 WeakPolarHBondContact O-CB 3.34Å; W556-F560 PolarHBondContact O-N 3.45Å; F560-K564 PolarHBondContact O-NZ 2.9Å; F560-R643 PolarHBondContact O-NH1 2.63Å |
| 561 | P | 98 | Very high | 98.3 | Very high | 2 Ų | 2 | 2.5 Ų | 2.5 | 1% | 0.013 | 2% | 0.02 | C | C | . | . | S | Bend | trans | -59.4 | 139.5 | 177 | -25.6 | 36.5 | 0 | 0 | 0 | 113.2 | I511 F626 | I511-P561 HydrophobicContact CD1-CG 3.86Å; P561-F626 HydrophobicContact CG-CB 3.84Å; P561-F626 HydrophobicContact CG-CD2 3.47Å; P561-F626 VanDerWaalsContact CG-CD2 3.47Å; P561-F626 HydrophobicContact CG-CE2 4.3Å; P561-F626 HydrophobicContact CG-CG 3.89Å |
| 562 | G | 97.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 2.4 Ų | 2.4 | 0% | 0 | 2% | 0.019 | C | C | . | . | S | Bend | trans | 120.8 | 163.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | F519 K564 D620 | F519-G562 CarbonylContact O-C 3.38Å; F519-G562 WeakPolarHBondContact O-CA 3.37Å; G562-K564 WeakPolarHBondContact O-CE 3.28Å; G562-K564 PolarHBondContact O-NZ 3.3Å; G562-D620 PolarHBondContact N-OD1 3.35Å |
| 563 | K | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 1.6 Ų | 1.6 | 0% | 0 | 1% | 0.012 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 166.2 | 179.6 | -52.1 | -48.3 | 178.5 | -171.8 | 0 | 111.6 | F239 A241 I243 Y479 F519 V520 L521 Y610 H617 D620 F621 | F239-K563 VanDerWaalsContact O-CE 3.25Å; F239-K563 WeakPolarHBondContact O-CE 3.44Å; F239-K563 PolarHBondContact O-NZ 3.07Å; A241-K563 PolarHBondContact O-NZ 3.4Å; I243-K563 HydrophobicContact CB-CB 3.92Å; I243-K563 HydrophobicContact CB-CD 3.91Å; I243-K563 HydrophobicContact CB-CG 3.87Å; I243-K563 HydrophobicContact CD1-CD 4.49Å; I243-K563 HydrophobicContact CD1-CG 4.27Å; I243-K563 HydrophobicContact CG1-CD 4.34Å; I243-K563 HydrophobicContact CG1-CG 4.45Å; I243-K563 HydrophobicContact CG2-CB 4.15Å; I243-K563 HydrophobicContact CG2-CG 4.46Å; Y479-K563 HydrophobicContact CD1-CG 4.27Å; Y479-K563 HydrophobicContact CE1-CG 3.94Å; F519-K563 PolarHBondContact O-N 3.18Å; V520-K563 CarbonylContact C-O 3.19Å; V520-K563 HydrophobicContact CB-CB 4.44Å; V520-K563 HydrophobicContact CG1-CB 4.33Å; V520-K563 HydrophobicContact CG2-CB 4.14Å; L521-K563 WeakPolarHBondContact CB-O 3.49Å; L521-K563 PolarHBondContact N-O 2.94Å; K563-Y610 WeakPolarHBondContact CD-OH 3.48Å; K563-H617 PolarHBondContact NZ-O 3.19Å; K563-D620 WeakPolarHBondContact CD-OD2 3.49Å; K563-D620 WeakPolarHBondContact CE-OD2 3.41Å; K563-D620 IonicContact NZ-OD2 2.84Å; K563-D620 PolarHBondContact NZ-OD2 3.02Å; K563-F621 HydrophobicContact CD-CZ 4.26Å; K563-F621 HydrophobicContact CG-CZ 4.04Å |
| 564 | K | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 2.1 Ų | 2.1 | 0% | 0 | 2% | 0.015 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 136.6 | -169.2 | -39.1 | -58.1 | 169 | -170.5 | 0 | 111.5 | I243 S244 I245 M557 W558 F560 G562 Y610 | I243-K564 PolarHBondContact O-N 2.9Å; S244-K564 WeakPolarHBondContact CA-O 3.16Å; I245-K564 WeakPolarHBondContact CB-O 3.24Å; I245-K564 PolarHBondContact N-O 2.79Å; M557-K564 HydrophobicContact CE-CB 4.45Å; M557-K564 WeakPolarHBondContact O-CE 3.5Å; M557-K564 PolarHBondContact O-NZ 3.44Å; W558-K564 HydrophobicContact CD2-CG 4.34Å; W558-K564 HydrophobicContact CG-CG 4.49Å; W558-K564 HydrophobicContact CZ2-CB 4.29Å; W558-K564 VanDerWaalsContact O-CE 3.27Å; W558-K564 WeakPolarHBondContact O-CE 3.36Å; W558-K564 PolarHBondContact O-NZ 3.45Å; F560-K564 PolarHBondContact O-NZ 2.9Å; G562-K564 WeakPolarHBondContact O-CE 3.28Å; G562-K564 PolarHBondContact O-NZ 3.3Å; K564-Y610 HydrophobicContact CG-CE1 4.38Å; K564-Y610 HydrophobicContact CG-CE2 4.39Å |
| 565 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 3% | 0.025 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 129.5 | 169.5 | 178 | 155.1 | 0 | 0 | 0 | 111.4 | I245 E247 E285 W481 V520 L521 P522 L523 M557 | I245-L565 HydrophobicContact CB-CB 4.11Å; I245-L565 HydrophobicContact CB-CD1 4.43Å; I245-L565 HydrophobicContact CB-CG 4.22Å; I245-L565 HydrophobicContact CD1-CB 4.35Å; I245-L565 HydrophobicContact CD1-CD1 4.33Å; I245-L565 HydrophobicContact CG2-CD1 4.08Å; I245-L565 HydrophobicContact CG2-CG 4.15Å; E247-L565 HydrophobicContact CB-CD2 4.2Å; E247-L565 HydrophobicContact CB-CG 4.28Å; E285-L565 WeakPolarHBondContact OE1-CD1 3.32Å; W481-L565 HydrophobicContact CH2-CD1 4.29Å; W481-L565 HydrophobicContact CZ2-CD1 3.39Å; W481-L565 HydrophobicContact CZ2-CD2 4.43Å; V520-L565 HydrophobicContact CG1-CB 3.9Å; L521-L565 PolarHBondContact O-N 3.15Å; L521-L565 VanDerWaalsContact O-N 3.09Å; P522-L565 HydrophobicContact CB-CD2 4.14Å; L523-L565 PolarHBondContact N-O 3.14Å; M557-L565 WeakPolarHBondContact CE-O 3.34Å |
| 566 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.046 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 124.7 | 177.5 | -168.3 | 68.2 | 0 | 0 | 0 | 110.7 | I245 E247 L523 Y554 W558 N570 E571 V603 | I245-L566 PolarHBondContact O-N 3.14Å; E247-L566 PolarHBondContact N-O 3.47Å; E247-L566 VanDerWaalsContact N-O 3.08Å; L523-L566 HydrophobicContact CB-CD1 3.92Å; L523-L566 HydrophobicContact CD1-CD1 4.09Å; Y554-L566 HydrophobicContact CE1-CD1 3.98Å; W558-L566 HydrophobicContact CH2-CB 4.22Å; W558-L566 HydrophobicContact CH2-CD2 4.18Å; L566-N570 HydrophobicContact CD1-CB 3.59Å; L566-N570 HydrophobicContact CD2-CB 4.22Å; L566-N570 HydrophobicContact CG-CB 3.79Å; L566-E571 HydrophobicContact CD2-CB 3.95Å; L566-V603 HydrophobicContact CD2-CG1 4.17Å; L566-V603 HydrophobicContact CD2-CG2 4.43Å |
| 567 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 146.8 | 176 | -171.2 | -120.4 | 0 | 0 | 0 | 113.4 | E247 L287 L523 H525 V528 N570 W578 | E247-F567 HydrophobicContact CB-CD2 3.96Å; E247-F567 HydrophobicContact CG-CD2 3.74Å; E247-F567 HydrophobicContact CG-CE2 4.31Å; E247-F567 WeakPolarHBondContact O-CD2 3.19Å; E247-F567 WeakPolarHBondContact OE2-CB 3.47Å; E247-F567 WeakPolarHBondContact OE2-CD2 3.47Å; L287-F567 HydrophobicContact CD1-CE2 4.4Å; L523-F567 PolarHBondContact O-N 3.17Å; H525-F567 HydrophobicContact CB-CD1 3.87Å; H525-F567 HydrophobicContact CB-CD2 3.61Å; H525-F567 HydrophobicContact CB-CE1 3.67Å; H525-F567 HydrophobicContact CB-CE2 3.42Å; H525-F567 VanDerWaalsContact CB-CE2 3.42Å; H525-F567 HydrophobicContact CB-CG 3.81Å; H525-F567 HydrophobicContact CB-CZ 3.42Å; H525-F567 VanDerWaalsContact CB-CZ 3.42Å; V528-F567 HydrophobicContact CG2-CD1 3.78Å; V528-F567 HydrophobicContact CG2-CE1 4.21Å; F567-N570 WeakPolarHBondContact O-CB 3.09Å; F567-N570 PolarHBondContact O-N 3.38Å; F567-N570 VanDerWaalsContact O-N 3.16Å; F567-W578 HydrophobicContact CE1-CB 3.96Å; F567-W578 AromaticContact CE1-CD1 3.93Å; F567-W578 AromaticContact CE1-CD2 3.65Å; F567-W578 HydrophobicContact CE1-CD2 3.65Å; F567-W578 HydrophobicContact CE1-CE3 4.01Å; F567-W578 AromaticContact CE1-CG 3.58Å; F567-W578 HydrophobicContact CE1-CG 3.58Å; F567-W578 AromaticContact CZ-CD2 3.72Å; F567-W578 HydrophobicContact CZ-CD2 3.72Å; F567-W578 AromaticContact CZ-CE2 3.8Å; F567-W578 HydrophobicContact CZ-CE3 4.02Å; F567-W578 HydrophobicContact CZ-CG 4.07Å; F567-W578 HydrophobicContact CZ-CZ2 4.23Å; F567-W578 HydrophobicContact CZ-CZ3 4.43Å |
| 568 | M | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 13.7 Ų | 13.7 | 1% | 0.01 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 138.2 | 175.5 | 69.2 | 176.2 | -167 | 0 | 0 | 113.4 | Y246 E247 V248 H249 S252 W253 N570 W578 L584 | Y246-M568 HydrophobicContact CE1-CB 4.26Å; Y246-M568 HydrophobicContact CE2-CB 4.03Å; Y246-M568 WeakPolarHBondContact OH-CB 3.49Å; E247-M568 PolarHBondContact O-N 3.49Å; V248-M568 HydrophobicContact CB-SD 4.35Å; V248-M568 HydrophobicContact CG1-SD 3.72Å; H249-M568 HydrophobicContact CB-CE 3.79Å; S252-M568 WeakPolarHBondContact OG-CE 3.41Å; W253-M568 VanDerWaalsContact CA-SD 3.5Å; W253-M568 HydrophobicContact CB-SD 3.58Å; W253-M568 VanDerWaalsContact CB-SD 3.58Å; W253-M568 HydrophobicContact CG-SD 4.05Å; M568-N570 VanDerWaalsContact C-N 3.31Å; M568-W578 VanDerWaalsContact CE-NE1 3.33Å; M568-L584 HydrophobicContact CB-CD1 3.78Å; M568-L584 HydrophobicContact CE-CD2 4.37Å; M568-L584 HydrophobicContact CG-CD1 3.85Å; M568-L584 HydrophobicContact CG-CD2 4.32Å; M568-L584 HydrophobicContact SD-CD1 4.06Å |
| 569 | G | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.2 | -30.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E571 A573 Q574 | G569-E571 VanDerWaalsContact C-N 3.33Å; G569-E571 WeakPolarHBondContact CA-OE2 3.41Å; G569-E571 PolarHBondContact N-OE2 3.48Å; G569-A573 PolarHBondContact O-N 3.01Å; G569-Q574 WeakPolarHBondContact O-CB 3.31Å; G569-Q574 PolarHBondContact O-N 3.24Å |
| 570 | N | 98.3 | Very high | 97.6 | Very high | 6 Ų | 6 | 19.2 Ų | 19.2 | 3% | 0.032 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -32.2 | 178 | -69.2 | -23.9 | 0 | 0 | 0 | 111.7 | L523 Y554 L566 F567 M568 F572 A573 | L523-N570 PolarHBondContact O-ND2 3.4Å; Y554-N570 WeakPolarHBondContact OH-CB 3.36Å; Y554-N570 PolarHBondContact OH-O 3.41Å; Y554-N570 VanDerWaalsContact OH-O 3.09Å; L566-N570 HydrophobicContact CD1-CB 3.59Å; L566-N570 HydrophobicContact CD2-CB 4.22Å; L566-N570 HydrophobicContact CG-CB 3.79Å; F567-N570 WeakPolarHBondContact O-CB 3.09Å; F567-N570 PolarHBondContact O-N 3.38Å; F567-N570 VanDerWaalsContact O-N 3.16Å; M568-N570 VanDerWaalsContact C-N 3.31Å; N570-F572 VanDerWaalsContact C-N 3.29Å; N570-F572 PolarHBondContact O-N 2.89Å; N570-A573 PolarHBondContact O-N 2.77Å; N570-A573 VanDerWaalsContact O-N 3.1Å |
| 571 | E | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -25.8 | -174.4 | 82.5 | -73.8 | -169.3 | 0 | 0 | 114.1 | Y246 Y275 M279 L566 G569 V599 Q600 V603 | Y246-E571 HydrophobicContact CE2-CG 4.22Å; Y246-E571 PolarHBondContact OH-OE1 3.15Å; Y275-E571 WeakPolarHBondContact CE1-OE1 3.33Å; Y275-E571 WeakPolarHBondContact OH-CG 3.42Å; Y275-E571 PolarHBondContact OH-OE1 3.4Å; M279-E571 HydrophobicContact CE-CB 3.84Å; M279-E571 HydrophobicContact CE-CG 3.65Å; L566-E571 HydrophobicContact CD2-CB 3.95Å; G569-E571 VanDerWaalsContact C-N 3.33Å; G569-E571 WeakPolarHBondContact CA-OE2 3.41Å; G569-E571 PolarHBondContact N-OE2 3.48Å; E571-V599 CarbonylContact O-C 3.57Å; E571-Q600 WeakPolarHBondContact O-CA 3.37Å; E571-Q600 PolarHBondContact O-N 3.4Å; E571-V603 HydrophobicContact CB-CB 4.41Å; E571-V603 HydrophobicContact CB-CG1 4.09Å; E571-V603 HydrophobicContact CB-CG2 4.44Å |
| 572 | F | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 14.1 | 174 | 65.5 | -96.9 | 0 | 0 | 0 | 112.9 | N570 Q574 L584 D585 W586 L588 L589 H596 Q600 | N570-F572 VanDerWaalsContact C-N 3.29Å; N570-F572 PolarHBondContact O-N 2.89Å; F572-Q574 HydrophobicContact CE2-CB 3.89Å; F572-Q574 HydrophobicContact CZ-CB 4.23Å; F572-L584 HydrophobicContact CE1-CD1 4.35Å; F572-L584 HydrophobicContact CZ-CB 4.14Å; F572-D585 HydrophobicContact CE2-CB 4.47Å; F572-W586 HydrophobicContact CD1-CZ3 4.34Å; F572-W586 HydrophobicContact CE1-CE3 4.41Å; F572-W586 HydrophobicContact CE1-CH2 4.24Å; F572-W586 HydrophobicContact CE1-CZ3 4.08Å; F572-L588 HydrophobicContact CE2-CD1 4.23Å; F572-L589 HydrophobicContact CB-CD1 3.94Å; F572-L589 HydrophobicContact CB-CD2 4.08Å; F572-L589 HydrophobicContact CB-CG 4.24Å; F572-L589 HydrophobicContact CD1-CD1 4.24Å; F572-L589 HydrophobicContact CD2-CD1 4.48Å; F572-L589 HydrophobicContact CD2-CG 4.45Å; F572-L589 HydrophobicContact CG-CD1 3.99Å; F572-L589 HydrophobicContact CG-CG 4.35Å; F572-H596 WeakPolarHBondContact O-CB 3.4Å; F572-H596 PolarHBondContact O-ND1 3.22Å; F572-Q600 HydrophobicContact CB-CB 4.13Å |
| 573 | A | 98.1 | Very high | 97.1 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 2% | 0.017 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 57.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L536 F547 L550 G569 N570 G575 H596 V599 | L536-A573 HydrophobicContact CB-CB 4.42Å; L536-A573 HydrophobicContact CD1-CB 4.43Å; L536-A573 HydrophobicContact CD2-CB 4.14Å; L536-A573 WeakPolarHBondContact CD2-O 3.36Å; F547-A573 HydrophobicContact CD1-CB 4.19Å; F547-A573 HydrophobicContact CE1-CB 3.81Å; L550-A573 HydrophobicContact CD2-CB 3.43Å; L550-A573 VanDerWaalsContact CD2-CB 3.43Å; G569-A573 PolarHBondContact O-N 3.01Å; N570-A573 PolarHBondContact O-N 2.77Å; N570-A573 VanDerWaalsContact O-N 3.1Å; A573-G575 PolarHBondContact O-N 3.13Å; A573-H596 PolarHBondContact O-CE1 3.02Å; A573-H596 PolarHBondContact O-ND1 3.25Å; A573-V599 HydrophobicContact CB-CB 4.12Å; A573-V599 HydrophobicContact CB-CG1 4.14Å; A573-V599 HydrophobicContact CB-CG2 4.01Å |
| 574 | Q | 97 | Very high | 97.1 | Very high | 13 Ų | 13 | 26.6 Ų | 26.6 | 6% | 0.061 | 14% | 0.137 | C | C | . | . | trans | -56.5 | 135.1 | 169 | -178.2 | 172 | -77.6 | 0 | 0 | 110.5 | S534 G569 F572 R576 D585 | S534-Q574 WeakPolarHBondContact CB-O 3.34Å; S534-Q574 PolarHBondContact OG-O 3.36Å; G569-Q574 WeakPolarHBondContact O-CB 3.31Å; G569-Q574 PolarHBondContact O-N 3.24Å; F572-Q574 HydrophobicContact CE2-CB 3.89Å; F572-Q574 HydrophobicContact CZ-CB 4.23Å; Q574-R576 PolarHBondContact NE2-O 2.79Å; Q574-D585 HydrophobicContact CG-CB 4.03Å | ||
| 575 | G | 94.9 | Very high | 97 | Very high | 20 Ų | 20 | 27 Ų | 27 | 21% | 0.206 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -80.2 | -38.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S534 A573 | S534-G575 VanDerWaalsContact CB-O 3.22Å; S534-G575 WeakPolarHBondContact CB-O 3.35Å; S534-G575 VanDerWaalsContact OG-C 3.3Å; S534-G575 PolarHBondContact OG-O 2.8Å; A573-G575 PolarHBondContact O-N 3.13Å |
| 576 | R | 95 | Very high | 96.8 | Very high | 157 Ų | 157 | 28.3 Ų | 28.3 | 59% | 0.592 | 15% | 0.145 | S | C | * | . | S | Bend | trans | -83.7 | 154.1 | -176.7 | -53.2 | -171 | -68.1 | 154 | -4.3 | 111.7 | Q574 D585 | Q574-R576 PolarHBondContact NE2-O 2.79Å; R576-D585 IonicContact CZ-OD1 3.51Å; R576-D585 IonicContact CZ-OD2 3.01Å; R576-D585 IonicContact NE-OD1 3.82Å; R576-D585 PolarHBondContact NE-OD1 2.83Å; R576-D585 IonicContact NE-OD2 2.92Å; R576-D585 PolarHBondContact NE-OD2 3.11Å; R576-D585 IonicContact NH2-OD1 3.58Å; R576-D585 PolarHBondContact NH2-OD1 3.16Å; R576-D585 IonicContact NH2-OD2 3.72Å |
| 577 | E | 97.5 | Very high | 96.6 | Very high | 65 Ų | 65 | 33.2 Ų | 33.2 | 30% | 0.304 | 17% | 0.167 | S | C | . | . | P | Polyproline II helix | trans | -56.8 | 152.4 | 166.8 | -74.1 | -178.2 | -162 | 0 | 0 | 111 | V528 V529 H530 G531 K532 K533 | V528-E577 CarbonylContact O-C 3.56Å; V528-E577 VanDerWaalsContact O-CA 3.28Å; V528-E577 WeakPolarHBondContact O-CA 3.26Å; V528-E577 VanDerWaalsContact O-CB 3.23Å; V528-E577 WeakPolarHBondContact O-CB 3.48Å; V528-E577 WeakPolarHBondContact O-CG 3.18Å; V529-E577 VanDerWaalsContact C-OE2 3.29Å; H530-E577 PolarHBondContact N-OE2 2.95Å; G531-E577 WeakPolarHBondContact CA-OE1 3.36Å; G531-E577 PolarHBondContact N-OE1 2.94Å; G531-E577 PolarHBondContact N-OE2 3.02Å; K532-E577 PolarHBondContact N-OE1 3.22Å; K533-E577 VanDerWaalsContact CA-OE1 3.26Å; K533-E577 WeakPolarHBondContact CA-OE1 3.14Å; K533-E577 PolarHBondContact N-OE1 2.63Å |
| 578 | W | 97.9 | Very high | 96.5 | Very high | 16 Ų | 16 | 34.9 Ų | 34.9 | 6% | 0.061 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 139.5 | 174.5 | 170.8 | 58.1 | 0 | 0 | 0 | 110.7 | H249 S252 L287 W298 H525 V528 V529 F567 M568 H580 | H249-W578 HydrophobicContact CB-CH2 4.35Å; H249-W578 HydrophobicContact CB-CZ2 3.69Å; H249-W578 AromaticContact CG-CZ2 3.74Å; H249-W578 AromaticContact ND1-CZ2 3.98Å; S252-W578 PolarHBondContact OG-NE1 3.01Å; L287-W578 HydrophobicContact CD2-CH2 4.14Å; W298-W578 HydrophobicContact CB-CH2 4.21Å; W298-W578 AromaticContact CD1-CH2 3.85Å; W298-W578 AromaticContact CD2-CH2 3.55Å; W298-W578 HydrophobicContact CD2-CH2 3.55Å; W298-W578 AromaticContact CD2-CZ3 3.6Å; W298-W578 HydrophobicContact CD2-CZ3 3.6Å; W298-W578 AromaticContact CE2-CH2 3.78Å; W298-W578 AromaticContact CE2-CZ3 3.66Å; W298-W578 HydrophobicContact CE3-CH2 4.03Å; W298-W578 AromaticContact CE3-CZ3 3.72Å; W298-W578 HydrophobicContact CE3-CZ3 3.72Å; W298-W578 AromaticContact CG-CH2 3.62Å; W298-W578 HydrophobicContact CG-CH2 3.62Å; W298-W578 HydrophobicContact CG-CZ3 4.19Å; W298-W578 AromaticContact CH2-CZ3 3.96Å; W298-W578 HydrophobicContact CH2-CZ3 3.96Å; W298-W578 HydrophobicContact CZ2-CH2 4.42Å; W298-W578 AromaticContact CZ2-CZ3 3.85Å; W298-W578 HydrophobicContact CZ2-CZ3 3.85Å; W298-W578 AromaticContact CZ3-CZ3 3.9Å; W298-W578 HydrophobicContact CZ3-CZ3 3.9Å; W298-W578 AromaticContact NE1-CH2 3.96Å; H525-W578 HydrophobicContact CB-CE3 4.14Å; H525-W578 HydrophobicContact CB-CZ3 4.09Å; H525-W578 AromaticContact CD2-CZ3 3.89Å; V528-W578 HydrophobicContact CG2-CB 4.01Å; V528-W578 PolarHBondContact O-N 3.4Å; V529-W578 HydrophobicContact CG1-CB 4.13Å; V529-W578 HydrophobicContact CG1-CD2 4.29Å; V529-W578 HydrophobicContact CG1-CE3 3.43Å; V529-W578 VanDerWaalsContact CG1-CE3 3.43Å; V529-W578 HydrophobicContact CG1-CZ3 4.18Å; F567-W578 HydrophobicContact CE1-CB 3.96Å; F567-W578 AromaticContact CE1-CD1 3.93Å; F567-W578 AromaticContact CE1-CD2 3.65Å; F567-W578 HydrophobicContact CE1-CD2 3.65Å; F567-W578 HydrophobicContact CE1-CE3 4.01Å; F567-W578 AromaticContact CE1-CG 3.58Å; F567-W578 HydrophobicContact CE1-CG 3.58Å; F567-W578 AromaticContact CZ-CD2 3.72Å; F567-W578 HydrophobicContact CZ-CD2 3.72Å; F567-W578 AromaticContact CZ-CE2 3.8Å; F567-W578 HydrophobicContact CZ-CE3 4.02Å; F567-W578 HydrophobicContact CZ-CG 4.07Å; F567-W578 HydrophobicContact CZ-CZ2 4.23Å; F567-W578 HydrophobicContact CZ-CZ3 4.43Å; M568-W578 VanDerWaalsContact CE-NE1 3.33Å; W578-H580 HydrophobicContact CH2-CB 4.28Å; W578-H580 HydrophobicContact CZ2-CB 3.81Å |
| 579 | N | 95.9 | Very high | 96.3 | Very high | 82 Ų | 82 | 36.3 Ų | 36.3 | 44% | 0.439 | 18% | 0.183 | S | C | . | . | trans | -132.5 | 114.9 | 176.6 | 179.4 | 3.5 | 0 | 0 | 0 | 109.7 | D581 A582 | N579-D581 PolarHBondContact O-N 3.44Å; N579-D581 PolarHBondContact OD1-N 3.02Å; N579-A582 PolarHBondContact O-N 3.21Å | ||
| 580 | H | 94.9 | Very high | 96 | Very high | 38 Ų | 38 | 43 Ų | 43 | 18% | 0.176 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -19.6 | -178.9 | 72.7 | -80.1 | 0 | 0 | 0 | 114.3 | S252 R255 G296 W298 W578 | S252-H580 WeakPolarHBondContact CB-O 3.35Å; R255-H580 PolarHBondContact NH2-O 3.33Å; G296-H580 WeakPolarHBondContact CA-NE2 3.47Å; W298-H580 AromaticContact CD1-CG 3.9Å; W298-H580 AromaticContact NE1-CG 3.72Å; W298-H580 AromaticContact NE1-ND1 3.54Å; W578-H580 HydrophobicContact CH2-CB 4.28Å; W578-H580 HydrophobicContact CZ2-CB 3.81Å |
| 581 | D | 94.7 | Very high | 95.4 | Very high | 84 Ų | 84 | 46.2 Ų | 46.2 | 45% | 0.449 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -9.1 | 179 | -74.2 | -39.3 | 0 | 0 | 0 | 114.4 | N260 N579 | N260-D581 PolarHBondContact ND2-O 3.48Å; N579-D581 PolarHBondContact O-N 3.44Å; N579-D581 PolarHBondContact OD1-N 3.02Å |
| 582 | A | 93.3 | Very high | 94.9 | Very high | 30 Ų | 30 | 49 Ų | 49 | 25% | 0.248 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -129.5 | 165.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S252 N579 | S252-A582 WeakPolarHBondContact CB-O 3.27Å; N579-A582 PolarHBondContact O-N 3.21Å |
| 583 | S | 95.1 | Very high | 94.6 | Very high | 36 Ų | 36 | 53.4 Ų | 53.4 | 25% | 0.252 | 30% | 0.302 | S | S | . | . | trans | -70.4 | 156.9 | 165.6 | -62.5 | 0 | 0 | 0 | 0 | 110.9 | S252 R255 | S252-S583 WeakPolarHBondContact O-CA 3.44Å; R255-S583 VanDerWaalsContact CB-OG 3.31Å; R255-S583 WeakPolarHBondContact CB-OG 3.49Å; R255-S583 PolarHBondContact N-OG 3.36Å | ||
| 584 | L | 97.5 | Very high | 94.5 | Very high | 8 Ų | 8 | 55.7 Ų | 55.7 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | trans | -55.6 | 160.2 | 160.3 | -62 | 176.7 | 0 | 0 | 0 | 111.9 | S252 W253 M568 F572 W586 | S252-L584 PolarHBondContact O-N 3.1Å; W253-L584 WeakPolarHBondContact O-CG 3.43Å; M568-L584 HydrophobicContact CB-CD1 3.78Å; M568-L584 HydrophobicContact CE-CD2 4.37Å; M568-L584 HydrophobicContact CG-CD1 3.85Å; M568-L584 HydrophobicContact CG-CD2 4.32Å; M568-L584 HydrophobicContact SD-CD1 4.06Å; F572-L584 HydrophobicContact CE1-CD1 4.35Å; F572-L584 HydrophobicContact CZ-CB 4.14Å; L584-W586 HydrophobicContact CB-CZ2 4.49Å; L584-W586 HydrophobicContact CD1-CZ2 3.98Å; L584-W586 VanDerWaalsContact O-CD1 3.31Å; L584-W586 PolarHBondContact O-N 2.95Å | ||
| 585 | D | 96.1 | Very high | 94.5 | Very high | 9 Ų | 9 | 59.9 Ų | 59.9 | 5% | 0.048 | 33% | 0.329 | C | S | . | . | trans | -74.7 | 54.2 | -177.3 | -75 | -33.1 | 0 | 0 | 0 | 113.8 | F572 Q574 R576 H587 L588 | F572-D585 HydrophobicContact CE2-CB 4.47Å; Q574-D585 HydrophobicContact CG-CB 4.03Å; R576-D585 IonicContact CZ-OD1 3.51Å; R576-D585 IonicContact CZ-OD2 3.01Å; R576-D585 IonicContact NE-OD1 3.82Å; R576-D585 PolarHBondContact NE-OD1 2.83Å; R576-D585 IonicContact NE-OD2 2.92Å; R576-D585 PolarHBondContact NE-OD2 3.11Å; R576-D585 IonicContact NH2-OD1 3.58Å; R576-D585 PolarHBondContact NH2-OD1 3.16Å; R576-D585 IonicContact NH2-OD2 3.72Å; D585-H587 PolarHBondContact O-N 2.83Å; D585-H587 IonicContact OD1-CE1 3.64Å; D585-H587 PolarHBondContact OD1-CE1 3.5Å; D585-H587 VanDerWaalsContact OD1-CE1 3.29Å; D585-H587 IonicContact OD1-ND1 2.76Å; D585-L588 HydrophobicContact CB-CD1 3.64Å; D585-L588 HydrophobicContact CB-CG 3.99Å; D585-L588 WeakPolarHBondContact O-CB 3.4Å; D585-L588 WeakPolarHBondContact O-CG 3.46Å; D585-L588 PolarHBondContact O-N 2.93Å | ||
| 586 | W | 95.9 | Very high | 94.6 | Very high | 27 Ų | 27 | 60.3 Ų | 60.3 | 10% | 0.102 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -55.5 | -26.3 | -178.9 | -68.2 | 110.6 | 0 | 0 | 0 | 114 | W253 Y275 F572 L584 L588 L589 | W253-W586 HydrophobicContact CD2-CZ2 4.01Å; W253-W586 AromaticContact CE2-CH2 3.83Å; W253-W586 AromaticContact CE2-CZ2 3.39Å; W253-W586 HydrophobicContact CG-CZ2 4.39Å; W253-W586 HydrophobicContact CH2-CZ2 4.33Å; W253-W586 AromaticContact CZ2-CH2 3.72Å; W253-W586 HydrophobicContact CZ2-CH2 3.72Å; W253-W586 AromaticContact CZ2-CZ2 3.58Å; W253-W586 HydrophobicContact CZ2-CZ2 3.58Å; W253-W586 AromaticContact NE1-CH2 3.78Å; W253-W586 AromaticContact NE1-CZ2 3.45Å; W253-W586 PolarHBondContact O-NE1 3.12Å; Y275-W586 HydrophobicContact CE1-CH2 4.01Å; Y275-W586 HydrophobicContact CE2-CH2 4.26Å; Y275-W586 HydrophobicContact CE2-CZ3 4.02Å; Y275-W586 AromaticContact CZ-CH2 3.85Å; Y275-W586 AromaticContact CZ-CZ3 3.89Å; F572-W586 HydrophobicContact CD1-CZ3 4.34Å; F572-W586 HydrophobicContact CE1-CE3 4.41Å; F572-W586 HydrophobicContact CE1-CH2 4.24Å; F572-W586 HydrophobicContact CE1-CZ3 4.08Å; L584-W586 HydrophobicContact CB-CZ2 4.49Å; L584-W586 HydrophobicContact CD1-CZ2 3.98Å; L584-W586 VanDerWaalsContact O-CD1 3.31Å; L584-W586 PolarHBondContact O-N 2.95Å; W586-L588 PolarHBondContact O-N 3.31Å; W586-L588 VanDerWaalsContact O-N 3.14Å; W586-L589 HydrophobicContact CE3-CD1 4.15Å; W586-L589 HydrophobicContact CZ3-CD1 4.17Å; W586-L589 PolarHBondContact O-N 3.43Å |
| 587 | H | 94.1 | Very high | 94.8 | Very high | 103 Ų | 103 | 54.2 Ų | 54.2 | 48% | 0.477 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -59.7 | -20.6 | 175.2 | 71.2 | -85.5 | 0 | 0 | 0 | 113.8 | D585 L589 E590 | D585-H587 PolarHBondContact O-N 2.83Å; D585-H587 IonicContact OD1-CE1 3.64Å; D585-H587 PolarHBondContact OD1-CE1 3.5Å; D585-H587 VanDerWaalsContact OD1-CE1 3.29Å; D585-H587 IonicContact OD1-ND1 2.76Å; H587-L589 PolarHBondContact O-N 3.14Å; H587-E590 WeakPolarHBondContact O-CB 3.22Å; H587-E590 PolarHBondContact O-N 3.12Å; H587-E590 VanDerWaalsContact O-N 3.12Å |
| 588 | L | 96.1 | Very high | 94.8 | Very high | 35 Ų | 35 | 51.1 Ų | 51.1 | 18% | 0.183 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -67.7 | -20.2 | 174.5 | -63.3 | 174.7 | 0 | 0 | 0 | 112.9 | F572 D585 W586 N594 H596 | F572-L588 HydrophobicContact CE2-CD1 4.23Å; D585-L588 HydrophobicContact CB-CD1 3.64Å; D585-L588 HydrophobicContact CB-CG 3.99Å; D585-L588 WeakPolarHBondContact O-CB 3.4Å; D585-L588 WeakPolarHBondContact O-CG 3.46Å; D585-L588 PolarHBondContact O-N 2.93Å; W586-L588 PolarHBondContact O-N 3.31Å; W586-L588 VanDerWaalsContact O-N 3.14Å; L588-N594 PolarHBondContact O-ND2 2.99Å; L588-H596 HydrophobicContact CB-CB 4.41Å |
| 589 | L | 96 | Very high | 94.8 | Very high | 31 Ų | 31 | 50.3 Ų | 50.3 | 16% | 0.162 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -101.3 | 4.4 | 174.4 | -62 | 176 | 0 | 0 | 0 | 112.5 | F572 W586 H587 H596 H597 Q600 | F572-L589 HydrophobicContact CB-CD1 3.94Å; F572-L589 HydrophobicContact CB-CD2 4.08Å; F572-L589 HydrophobicContact CB-CG 4.24Å; F572-L589 HydrophobicContact CD1-CD1 4.24Å; F572-L589 HydrophobicContact CD2-CD1 4.48Å; F572-L589 HydrophobicContact CD2-CG 4.45Å; F572-L589 HydrophobicContact CG-CD1 3.99Å; F572-L589 HydrophobicContact CG-CG 4.35Å; W586-L589 HydrophobicContact CE3-CD1 4.15Å; W586-L589 HydrophobicContact CZ3-CD1 4.17Å; W586-L589 PolarHBondContact O-N 3.43Å; H587-L589 PolarHBondContact O-N 3.14Å; L589-H596 HydrophobicContact CD2-CB 4.11Å; L589-H597 PolarHBondContact O-NE2 3.19Å; L589-Q600 VanDerWaalsContact CD1-NE2 3.27Å |
| 590 | E | 91.3 | Very high | 94.9 | Very high | 140 Ų | 140 | 47.2 Ų | 47.2 | 65% | 0.654 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -86.4 | 137.5 | 171.5 | -66.3 | 175 | -168.5 | 0 | 0 | 110 | H587 | H587-E590 WeakPolarHBondContact O-CB 3.22Å; H587-E590 PolarHBondContact O-N 3.12Å; H587-E590 VanDerWaalsContact O-N 3.12Å |
| 591 | G | 86.4 | Confident | 95.1 | Very high | 75 Ų | 75 | 48.3 Ų | 48.3 | 77% | 0.773 | 27% | 0.272 | S | S | * | . | S | Bend | trans | 99.7 | -144.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 592 | G | 86.8 | Confident | 95.3 | Very high | 57 Ų | 57 | 44.3 Ų | 44.3 | 59% | 0.588 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -81.6 | 157.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | N594 | G592-N594 PolarHBondContact O-N 3Š|
| 593 | D | 93.1 | Very high | 95.5 | Very high | 94 Ų | 94 | 42.9 Ų | 42.9 | 50% | 0.503 | 24% | 0.238 | S | C | . | . | trans | -57 | 119.5 | 179.7 | -171.7 | 14.4 | 0 | 0 | 0 | 112 | H597 R601 H687 | D593-H597 WeakPolarHBondContact OD1-CB 3.33Å; D593-H597 IonicContact OD1-CG 3.86Å; D593-R601 VanDerWaalsContact CG-NH1 3.3Å; D593-R601 IonicContact OD1-CZ 3.91Å; D593-R601 VanDerWaalsContact OD1-CZ 3.23Å; D593-R601 IonicContact OD1-NH1 3.45Å; D593-R601 PolarHBondContact OD1-NH1 3.05Å; D593-R601 IonicContact OD1-NH2 2.71Å; D593-R601 PolarHBondContact OD1-NH2 2.75Å; D593-R601 IonicContact OD2-CZ 3.47Å; D593-R601 IonicContact OD2-NH1 3.98Å; D593-R601 PolarHBondContact OD2-NH1 3.39Å; D593-R601 IonicContact OD2-NH2 2.72Å; D593-R601 PolarHBondContact OD2-NH2 3.03Å; D593-H687 PolarHBondContact O-CE1 3.15Å; D593-H687 IonicContact OD1-CE1 3.16Å; D593-H687 IonicContact OD1-NE2 3.64Å; D593-H687 PolarHBondContact OD1-NE2 3.34Å; D593-H687 IonicContact OD2-NE2 2.96Å | ||
| 594 | N | 95.2 | Very high | 95.7 | Very high | 49 Ų | 49 | 44.8 Ų | 44.8 | 26% | 0.262 | 24% | 0.24 | S | C | . | . | trans | -136.6 | -177.3 | -170.4 | 68.9 | 28.5 | 0 | 0 | 0 | 111.8 | L588 G592 H596 H597 G598 H687 | L588-N594 PolarHBondContact O-ND2 2.99Å; G592-N594 PolarHBondContact O-N 3Å; N594-H596 VanDerWaalsContact C-N 3.28Å; N594-H596 PolarHBondContact O-N 2.94Å; N594-H596 WeakPolarHBondContact OD1-CB 3.48Å; N594-H596 PolarHBondContact OD1-N 3.44Å; N594-H597 VanDerWaalsContact CG-ND1 3.25Å; N594-H597 PolarHBondContact N-ND1 2.8Å; N594-H597 WeakPolarHBondContact O-CB 3.45Å; N594-H597 PolarHBondContact O-N 3.44Å; N594-H597 VanDerWaalsContact O-N 3.15Å; N594-H597 PolarHBondContact OD1-N 2.97Å; N594-H597 VanDerWaalsContact OD1-N 3.15Å; N594-H597 PolarHBondContact OD1-ND1 2.85Å; N594-G598 PolarHBondContact O-N 3.25Å; N594-H687 PolarHBondContact O-CD2 2.89Å; N594-H687 PolarHBondContact O-NE2 2.72Å | ||
| 595 | W | 96.6 | Very high | 95.8 | Very high | 102 Ų | 102 | 46.8 Ų | 46.8 | 39% | 0.386 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58.1 | -34 | -178.7 | -64.9 | -38.9 | 0 | 0 | 0 | 114.7 | A543 F547 G598 V599 H687 | A543-W595 HydrophobicContact CB-CE3 4.35Å; A543-W595 HydrophobicContact CB-CH2 3.87Å; A543-W595 HydrophobicContact CB-CZ3 3.53Å; F547-W595 HydrophobicContact CD1-CB 3.8Å; F547-W595 HydrophobicContact CD2-CB 3.6Å; F547-W595 AromaticContact CD2-CD2 3.83Å; F547-W595 HydrophobicContact CD2-CD2 3.83Å; F547-W595 AromaticContact CD2-CE3 3.76Å; F547-W595 HydrophobicContact CD2-CE3 3.76Å; F547-W595 AromaticContact CD2-CG 3.81Å; F547-W595 HydrophobicContact CD2-CG 3.81Å; F547-W595 HydrophobicContact CE1-CB 3.75Å; F547-W595 HydrophobicContact CE2-CB 3.62Å; F547-W595 AromaticContact CE2-CD2 3.94Å; F547-W595 HydrophobicContact CE2-CD2 3.94Å; F547-W595 AromaticContact CE2-CE3 3.47Å; F547-W595 HydrophobicContact CE2-CE3 3.47Å; F547-W595 VanDerWaalsContact CE2-CE3 3.47Å; F547-W595 HydrophobicContact CE2-CG 4.05Å; F547-W595 HydrophobicContact CE2-CZ3 4.38Å; F547-W595 HydrophobicContact CG-CB 3.74Å; F547-W595 HydrophobicContact CG-CG 4.23Å; F547-W595 HydrophobicContact CZ-CB 3.68Å; F547-W595 HydrophobicContact CZ-CE3 4.39Å; W595-G598 WeakPolarHBondContact O-CA 3.32Å; W595-G598 PolarHBondContact O-N 3.03Å; W595-V599 PolarHBondContact O-N 3.19Å; W595-V599 VanDerWaalsContact O-N 3.09Å; W595-H687 AromaticContact CD1-CG 3.99Å |
| 596 | H | 97.9 | Very high | 95.9 | Very high | 28 Ų | 28 | 46.9 Ų | 46.9 | 13% | 0.13 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.4 | -43.7 | 176.4 | -60.7 | -78.9 | 0 | 0 | 0 | 111.5 | F547 F572 A573 L588 L589 N594 G598 V599 Q600 | F547-H596 AromaticContact CE1-CE1 3.89Å; F547-H596 AromaticContact CE1-ND1 3.87Å; F547-H596 AromaticContact CZ-CE1 3.61Å; F547-H596 AromaticContact CZ-NE2 3.78Å; F572-H596 WeakPolarHBondContact O-CB 3.4Å; F572-H596 PolarHBondContact O-ND1 3.22Å; A573-H596 PolarHBondContact O-CE1 3.02Å; A573-H596 PolarHBondContact O-ND1 3.25Å; L588-H596 HydrophobicContact CB-CB 4.41Å; L589-H596 HydrophobicContact CD2-CB 4.11Å; N594-H596 VanDerWaalsContact C-N 3.28Å; N594-H596 PolarHBondContact O-N 2.94Å; N594-H596 WeakPolarHBondContact OD1-CB 3.48Å; N594-H596 PolarHBondContact OD1-N 3.44Å; H596-G598 PolarHBondContact O-N 3.42Å; H596-V599 PolarHBondContact O-N 3.03Å; H596-Q600 WeakPolarHBondContact O-CB 3.42Å; H596-Q600 PolarHBondContact O-N 3.3Å |
| 597 | H | 98 | Very high | 96 | Very high | 29 Ų | 29 | 45.6 Ų | 45.6 | 13% | 0.134 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.1 | -35.3 | 171.3 | -66.3 | 86.5 | 0 | 0 | 0 | 111.7 | L589 D593 N594 Q600 R601 | L589-H597 PolarHBondContact O-NE2 3.19Å; D593-H597 WeakPolarHBondContact OD1-CB 3.33Å; D593-H597 IonicContact OD1-CG 3.86Å; N594-H597 VanDerWaalsContact CG-ND1 3.25Å; N594-H597 PolarHBondContact N-ND1 2.8Å; N594-H597 WeakPolarHBondContact O-CB 3.45Å; N594-H597 PolarHBondContact O-N 3.44Å; N594-H597 VanDerWaalsContact O-N 3.15Å; N594-H597 PolarHBondContact OD1-N 2.97Å; N594-H597 VanDerWaalsContact OD1-N 3.15Å; N594-H597 PolarHBondContact OD1-ND1 2.85Å; H597-Q600 PolarHBondContact O-N 2.88Å; H597-R601 WeakPolarHBondContact O-CB 3.44Å; H597-R601 WeakPolarHBondContact O-CG 3.41Å; H597-R601 PolarHBondContact O-N 2.62Å |
| 598 | G | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.8 | -46.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | N594 W595 H596 L602 | N594-G598 PolarHBondContact O-N 3.25Å; W595-G598 WeakPolarHBondContact O-CA 3.32Å; W595-G598 PolarHBondContact O-N 3.03Å; H596-G598 PolarHBondContact O-N 3.42Å; G598-L602 PolarHBondContact O-N 2.97Å |
| 599 | V | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.5 | -42.9 | 176.4 | -178.4 | 0 | 0 | 0 | 0 | 111.2 | F547 L550 R551 Y554 E571 A573 W595 H596 R601 L602 V603 | F547-V599 HydrophobicContact CD1-CG2 3.78Å; F547-V599 HydrophobicContact CE1-CG2 4.48Å; L550-V599 HydrophobicContact CD2-CG1 4.15Å; L550-V599 HydrophobicContact CD2-CG2 4.4Å; R551-V599 HydrophobicContact CG-CG2 4.03Å; Y554-V599 HydrophobicContact CD2-CG1 4.14Å; Y554-V599 HydrophobicContact CE2-CG1 3.89Å; E571-V599 CarbonylContact O-C 3.57Å; A573-V599 HydrophobicContact CB-CB 4.12Å; A573-V599 HydrophobicContact CB-CG1 4.14Å; A573-V599 HydrophobicContact CB-CG2 4.01Å; W595-V599 PolarHBondContact O-N 3.19Å; W595-V599 VanDerWaalsContact O-N 3.09Å; H596-V599 PolarHBondContact O-N 3.03Å; V599-R601 VanDerWaalsContact C-N 3.33Å; V599-R601 PolarHBondContact O-N 3.11Å; V599-L602 WeakPolarHBondContact O-CB 3.39Å; V599-L602 PolarHBondContact O-N 3.4Å; V599-V603 HydrophobicContact CG1-CG2 4.36Å; V599-V603 PolarHBondContact O-N 3Å |
| 600 | Q | 98.4 | Very high | 96.4 | Very high | 16 Ų | 16 | 42.6 Ų | 42.6 | 8% | 0.075 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57 | -46.1 | 177 | -172.5 | -172.3 | 51.5 | 0 | 0 | 111.9 | Y275 W278 M279 E571 F572 L589 H596 H597 V603 R604 | Y275-Q600 PolarHBondContact OH-NE2 3.26Å; Y275-Q600 VanDerWaalsContact OH-NE2 3.12Å; W278-Q600 HydrophobicContact CH2-CG 4.32Å; W278-Q600 HydrophobicContact CZ3-CG 4.08Å; M279-Q600 HydrophobicContact CE-CG 3.9Å; M279-Q600 WeakPolarHBondContact CE-O 3.25Å; M279-Q600 HydrophobicContact SD-CG 3.59Å; M279-Q600 VanDerWaalsContact SD-CG 3.59Å; E571-Q600 WeakPolarHBondContact O-CA 3.37Å; E571-Q600 PolarHBondContact O-N 3.4Å; F572-Q600 HydrophobicContact CB-CB 4.13Å; L589-Q600 VanDerWaalsContact CD1-NE2 3.27Å; H596-Q600 WeakPolarHBondContact O-CB 3.42Å; H596-Q600 PolarHBondContact O-N 3.3Å; H597-Q600 PolarHBondContact O-N 2.88Å; Q600-V603 PolarHBondContact O-N 3.17Å; Q600-R604 WeakPolarHBondContact O-CB 3.46Å; Q600-R604 PolarHBondContact O-N 2.92Å |
| 601 | R | 98.3 | Very high | 96.7 | Very high | 62 Ų | 62 | 40.9 Ų | 40.9 | 23% | 0.234 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.6 | -40.8 | 174.6 | -76.2 | -169.7 | -63.6 | -101.3 | 5.4 | 112.3 | D593 H597 V599 R604 D605 H685 Y686 | D593-R601 VanDerWaalsContact CG-NH1 3.3Å; D593-R601 IonicContact OD1-CZ 3.91Å; D593-R601 VanDerWaalsContact OD1-CZ 3.23Å; D593-R601 IonicContact OD1-NH1 3.45Å; D593-R601 PolarHBondContact OD1-NH1 3.05Å; D593-R601 IonicContact OD1-NH2 2.71Å; D593-R601 PolarHBondContact OD1-NH2 2.75Å; D593-R601 IonicContact OD2-CZ 3.47Å; D593-R601 IonicContact OD2-NH1 3.98Å; D593-R601 PolarHBondContact OD2-NH1 3.39Å; D593-R601 IonicContact OD2-NH2 2.72Å; D593-R601 PolarHBondContact OD2-NH2 3.03Å; H597-R601 WeakPolarHBondContact O-CB 3.44Å; H597-R601 WeakPolarHBondContact O-CG 3.41Å; H597-R601 PolarHBondContact O-N 2.62Å; V599-R601 VanDerWaalsContact C-N 3.33Å; V599-R601 PolarHBondContact O-N 3.11Å; R601-R604 WeakPolarHBondContact O-CB 3.12Å; R601-R604 PolarHBondContact O-N 3.46Å; R601-D605 WeakPolarHBondContact O-CB 3.28Å; R601-D605 PolarHBondContact O-N 3.5Å; R601-H685 PolarHBondContact NE-O 2.89Å; R601-H685 PolarHBondContact NH2-O 3.43Å; R601-Y686 HydrophobicContact CB-CD1 4.09Å; R601-Y686 HydrophobicContact CB-CE1 4.2Å |
| 602 | L | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.4 | -49 | 176.8 | 174.8 | 66.1 | 0 | 0 | 0 | 111.5 | R551 G598 V599 R604 D605 L606 L679 T681 Y686 | R551-L602 HydrophobicContact CB-CD2 3.42Å; R551-L602 VanDerWaalsContact CB-CD2 3.42Å; R551-L602 HydrophobicContact CG-CD2 3.48Å; R551-L602 VanDerWaalsContact CG-CD2 3.48Å; G598-L602 PolarHBondContact O-N 2.97Å; V599-L602 WeakPolarHBondContact O-CB 3.39Å; V599-L602 PolarHBondContact O-N 3.4Å; L602-R604 VanDerWaalsContact C-N 3.26Å; L602-R604 PolarHBondContact O-N 2.78Å; L602-D605 PolarHBondContact O-N 3.35Å; L602-L606 HydrophobicContact CD1-CD1 4.05Å; L602-L606 HydrophobicContact CD1-CD2 4.48Å; L602-L606 HydrophobicContact CD1-CG 3.91Å; L602-L606 HydrophobicContact CD2-CD1 4.3Å; L602-L606 HydrophobicContact CG-CD1 3.78Å; L602-L606 HydrophobicContact CG-CG 4.13Å; L602-L606 WeakPolarHBondContact O-CB 3.26Å; L602-L606 VanDerWaalsContact O-CG 3.27Å; L602-L606 WeakPolarHBondContact O-CG 3.46Å; L602-L606 PolarHBondContact O-N 3.24Å; L602-L679 HydrophobicContact CD1-CD1 4.34Å; L602-L679 HydrophobicContact CD1-CD2 4.05Å; L602-T681 HydrophobicContact CD1-CG2 4.09Å; L602-T681 HydrophobicContact CD2-CG2 4.18Å; L602-Y686 HydrophobicContact CB-CD1 3.76Å; L602-Y686 HydrophobicContact CB-CD2 4.41Å; L602-Y686 HydrophobicContact CB-CE1 4.08Å; L602-Y686 HydrophobicContact CB-CG 3.95Å; L602-Y686 HydrophobicContact CD1-CD2 3.93Å; L602-Y686 HydrophobicContact CD1-CE1 4.37Å; L602-Y686 HydrophobicContact CD1-CE2 3.72Å; L602-Y686 HydrophobicContact CD1-CG 4.33Å |
| 603 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.4 | -40.9 | 179.5 | 174.2 | 0 | 0 | 0 | 0 | 110.5 | M279 F281 Y554 W558 L566 E571 V599 Q600 L606 N607 | M279-V603 HydrophobicContact CE-CB 3.95Å; M279-V603 HydrophobicContact CE-CG1 3.86Å; F281-V603 HydrophobicContact CZ-CG1 4.05Å; Y554-V603 HydrophobicContact CD2-CG2 3.63Å; Y554-V603 HydrophobicContact CE2-CG2 3.93Å; W558-V603 HydrophobicContact CH2-CG1 4.43Å; W558-V603 HydrophobicContact CZ2-CG1 4.47Å; L566-V603 HydrophobicContact CD2-CG1 4.17Å; L566-V603 HydrophobicContact CD2-CG2 4.43Å; E571-V603 HydrophobicContact CB-CB 4.41Å; E571-V603 HydrophobicContact CB-CG1 4.09Å; E571-V603 HydrophobicContact CB-CG2 4.44Å; V599-V603 HydrophobicContact CG1-CG2 4.36Å; V599-V603 PolarHBondContact O-N 3Å; Q600-V603 PolarHBondContact O-N 3.17Å; V603-L606 PolarHBondContact O-N 3.45Å; V603-N607 WeakPolarHBondContact O-CB 3.37Å; V603-N607 PolarHBondContact O-N 2.73Å |
| 604 | R | 98.8 | Very high | 98 | Very high | 76 Ų | 76 | 44 Ų | 44 | 29% | 0.287 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59 | -49.3 | 173.7 | -179.8 | 177.8 | -179.4 | -138.8 | -8.4 | 112.3 | W278 M279 Q600 R601 L602 N607 L608 | W278-R604 VanDerWaalsContact O-CD 3.31Å; W278-R604 WeakPolarHBondContact O-CD 3.47Å; W278-R604 WeakPolarHBondContact O-CG 3.18Å; W278-R604 PolarHBondContact O-NE 2.92Å; M279-R604 HydrophobicContact CE-CB 4.4Å; M279-R604 WeakPolarHBondContact O-CA 3.32Å; M279-R604 HydrophobicContact SD-CB 4.3Å; Q600-R604 WeakPolarHBondContact O-CB 3.46Å; Q600-R604 PolarHBondContact O-N 2.92Å; R601-R604 WeakPolarHBondContact O-CB 3.12Å; R601-R604 PolarHBondContact O-N 3.46Å; L602-R604 VanDerWaalsContact C-N 3.26Å; L602-R604 PolarHBondContact O-N 2.78Å; R604-N607 WeakPolarHBondContact O-CB 3.26Å; R604-N607 PolarHBondContact O-N 3.42Å; R604-L608 HydrophobicContact CG-CD1 4.28Å; R604-L608 WeakPolarHBondContact O-CG 3.26Å; R604-L608 PolarHBondContact O-N 2.95Å |
| 605 | D | 98.6 | Very high | 98.1 | Very high | 49 Ų | 49 | 41.9 Ų | 41.9 | 26% | 0.262 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -71.3 | -32.2 | -177.3 | -68.6 | -15.8 | 0 | 0 | 0 | 111.8 | R601 L602 L608 T609 L679 Y686 | R601-D605 WeakPolarHBondContact O-CB 3.28Å; R601-D605 PolarHBondContact O-N 3.5Å; L602-D605 PolarHBondContact O-N 3.35Å; D605-L608 PolarHBondContact O-N 3.22Å; D605-T609 VanDerWaalsContact O-CB 3.26Å; D605-T609 WeakPolarHBondContact O-CB 3.36Å; D605-T609 PolarHBondContact O-N 3.41Å; D605-T609 PolarHBondContact O-OG1 2.95Å; D605-L679 HydrophobicContact CB-CD1 4.5Å; D605-Y686 HydrophobicContact CB-CE1 4.39Å; D605-Y686 VanDerWaalsContact CB-OH 3.32Å; D605-Y686 WeakPolarHBondContact CB-OH 3.29Å; D605-Y686 WeakPolarHBondContact OD2-CE1 3.49Å; D605-Y686 PolarHBondContact OD2-OH 2.95Å |
| 606 | L | 98.7 | Very high | 98.1 | Very high | 11 Ų | 11 | 37.7 Ų | 37.7 | 6% | 0.058 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.8 | -45.4 | 169.6 | -76 | 171.6 | 0 | 0 | 0 | 111.6 | W558 L602 V603 T609 Y610 L679 | W558-L606 HydrophobicContact CB-CB 4.43Å; W558-L606 HydrophobicContact CB-CD2 4.07Å; W558-L606 HydrophobicContact CD2-CB 4.21Å; W558-L606 HydrophobicContact CD2-CD1 4.4Å; W558-L606 HydrophobicContact CE3-CD1 4.49Å; W558-L606 HydrophobicContact CG-CB 3.87Å; W558-L606 HydrophobicContact CG-CD1 4.43Å; W558-L606 HydrophobicContact CG-CD2 4.42Å; W558-L606 HydrophobicContact CG-CG 4.48Å; L602-L606 HydrophobicContact CD1-CD1 4.05Å; L602-L606 HydrophobicContact CD1-CD2 4.48Å; L602-L606 HydrophobicContact CD1-CG 3.91Å; L602-L606 HydrophobicContact CD2-CD1 4.3Å; L602-L606 HydrophobicContact CG-CD1 3.78Å; L602-L606 HydrophobicContact CG-CG 4.13Å; L602-L606 WeakPolarHBondContact O-CB 3.26Å; L602-L606 VanDerWaalsContact O-CG 3.27Å; L602-L606 WeakPolarHBondContact O-CG 3.46Å; L602-L606 PolarHBondContact O-N 3.24Å; V603-L606 PolarHBondContact O-N 3.45Å; L606-T609 PolarHBondContact O-N 2.88Å; L606-Y610 VanDerWaalsContact O-CB 3.28Å; L606-Y610 WeakPolarHBondContact O-CB 3.42Å; L606-Y610 PolarHBondContact O-N 3.25Å; L606-L679 HydrophobicContact CD2-CD1 3.69Å; L606-L679 HydrophobicContact CD2-CD2 3.98Å; L606-L679 HydrophobicContact CG-CD1 4.1Å |
| 607 | N | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.9 | -46 | 175.5 | -85.9 | -26.8 | 0 | 0 | 0 | 112.4 | S244 M279 F281 W558 V603 R604 T609 Y610 R611 | S244-N607 WeakPolarHBondContact CB-OD1 3.22Å; S244-N607 PolarHBondContact OG-OD1 3.08Å; M279-N607 WeakPolarHBondContact O-CB 3.42Å; M279-N607 PolarHBondContact O-ND2 3.23Å; F281-N607 WeakPolarHBondContact CD1-ND2 3.16Å; F281-N607 WeakPolarHBondContact CE1-ND2 3.08Å; W558-N607 VanDerWaalsContact CZ2-OD1 3.27Å; W558-N607 WeakPolarHBondContact CZ2-OD1 3.32Å; W558-N607 PolarHBondContact NE1-OD1 3.13Å; V603-N607 WeakPolarHBondContact O-CB 3.37Å; V603-N607 PolarHBondContact O-N 2.73Å; R604-N607 WeakPolarHBondContact O-CB 3.26Å; R604-N607 PolarHBondContact O-N 3.42Å; N607-T609 VanDerWaalsContact C-N 3.34Å; N607-T609 PolarHBondContact O-N 2.83Å; N607-Y610 PolarHBondContact O-N 2.83Å; N607-R611 VanDerWaalsContact O-CG 3.29Å; N607-R611 WeakPolarHBondContact O-CG 3.05Å; N607-R611 PolarHBondContact O-N 3.43Å |
| 608 | L | 98.4 | Very high | 98.1 | Very high | 78 Ų | 78 | 36.5 Ų | 36.5 | 41% | 0.408 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.1 | -40.7 | 177.8 | -66.4 | 174.8 | 0 | 0 | 0 | 111.5 | R604 D605 H612 | R604-L608 HydrophobicContact CG-CD1 4.28Å; R604-L608 WeakPolarHBondContact O-CG 3.26Å; R604-L608 PolarHBondContact O-N 2.95Å; D605-L608 PolarHBondContact O-N 3.22Å; L608-H612 VanDerWaalsContact O-CB 3.3Å; L608-H612 WeakPolarHBondContact O-CB 3.32Å; L608-H612 PolarHBondContact O-N 2.98Å |
| 609 | T | 97.9 | Very high | 98.1 | Very high | 26 Ų | 26 | 37.1 Ų | 37.1 | 16% | 0.16 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.4 | -48.1 | 176.3 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | D605 L606 N607 R611 H612 H613 I678 | D605-T609 VanDerWaalsContact O-CB 3.26Å; D605-T609 WeakPolarHBondContact O-CB 3.36Å; D605-T609 PolarHBondContact O-N 3.41Å; D605-T609 PolarHBondContact O-OG1 2.95Å; L606-T609 PolarHBondContact O-N 2.88Å; N607-T609 VanDerWaalsContact C-N 3.34Å; N607-T609 PolarHBondContact O-N 2.83Å; T609-R611 VanDerWaalsContact C-N 3.32Å; T609-R611 PolarHBondContact O-N 3.24Å; T609-H612 PolarHBondContact O-N 2.82Å; T609-H613 PolarHBondContact O-CD2 3.07Å; T609-H613 PolarHBondContact O-N 2.94Å; T609-I678 HydrophobicContact CG2-CD1 4.2Å |
| 610 | Y | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.7 | -40.3 | 179.3 | 177.1 | -106.4 | 0 | 0 | 0 | 112.6 | P242 K563 K564 L606 N607 M616 H617 D620 | P242-Y610 HydrophobicContact CB-CD1 3.82Å; P242-Y610 HydrophobicContact CB-CE1 3.57Å; K563-Y610 WeakPolarHBondContact CD-OH 3.48Å; K564-Y610 HydrophobicContact CG-CE1 4.38Å; K564-Y610 HydrophobicContact CG-CE2 4.39Å; L606-Y610 VanDerWaalsContact O-CB 3.28Å; L606-Y610 WeakPolarHBondContact O-CB 3.42Å; L606-Y610 PolarHBondContact O-N 3.25Å; N607-Y610 PolarHBondContact O-N 2.83Å; Y610-M616 HydrophobicContact CD2-CB 3.74Å; Y610-M616 HydrophobicContact CE2-CB 4.27Å; Y610-M616 VanDerWaalsContact CE2-O 3.26Å; Y610-M616 WeakPolarHBondContact CE2-O 3.45Å; Y610-H617 HydrophobicContact CD2-CB 4.4Å; Y610-H617 HydrophobicContact CE1-CB 4.3Å; Y610-H617 HydrophobicContact CE2-CB 3.62Å; Y610-H617 PolarHBondContact O-CE1 3.44Å; Y610-H617 VanDerWaalsContact O-CE1 3.27Å; Y610-H617 PolarHBondContact O-ND1 2.74Å; Y610-H617 WeakPolarHBondContact OH-CB 3.27Å; Y610-D620 PolarHBondContact OH-OD2 2.98Å |
| 611 | R | 97.5 | Very high | 97.9 | Very high | 104 Ų | 104 | 38 Ų | 38 | 39% | 0.392 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -71.1 | -36.2 | 176.1 | -69.2 | 168.4 | 67 | 151.6 | 7 | 113.1 | P242 G280 F281 T282 N607 T609 | P242-R611 HydrophobicContact CB-CG 4.19Å; P242-R611 HydrophobicContact CG-CG 4.29Å; G280-R611 WeakPolarHBondContact O-CD 3.47Å; G280-R611 PolarHBondContact O-NH1 3.11Å; F281-R611 PolarHBondContact O-NH1 3.19Å; F281-R611 VanDerWaalsContact O-NH1 3.08Å; T282-R611 HydrophobicContact CG2-CG 3.84Å; N607-R611 VanDerWaalsContact O-CG 3.29Å; N607-R611 WeakPolarHBondContact O-CG 3.05Å; N607-R611 PolarHBondContact O-N 3.43Å; T609-R611 VanDerWaalsContact C-N 3.32Å; T609-R611 PolarHBondContact O-N 3.24Å |
| 612 | H | 97.2 | Very high | 97.8 | Very high | 147 Ų | 147 | 38.4 Ų | 38.4 | 68% | 0.681 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -75.2 | -37.2 | -175.8 | -174 | 64.2 | 0 | 0 | 0 | 112.6 | L608 T609 | L608-H612 VanDerWaalsContact O-CB 3.3Å; L608-H612 WeakPolarHBondContact O-CB 3.32Å; L608-H612 PolarHBondContact O-N 2.98Å; T609-H612 PolarHBondContact O-N 2.82Å |
| 613 | H | 97.2 | Very high | 97.6 | Very high | 55 Ų | 55 | 42 Ų | 42 | 26% | 0.255 | 20% | 0.202 | S | C | . | . | trans | -103.6 | 107.2 | -174.1 | -65.7 | -72.4 | 0 | 0 | 0 | 112.3 | T609 A615 M616 H617 I651 | T609-H613 PolarHBondContact O-CD2 3.07Å; T609-H613 PolarHBondContact O-N 2.94Å; H613-A615 PolarHBondContact O-N 3.29Å; H613-M616 HydrophobicContact CB-CG 4.01Å; H613-M616 WeakPolarHBondContact O-CB 3.33Å; H613-M616 PolarHBondContact O-N 2.86Å; H613-H617 PolarHBondContact O-CE1 3.13Å; H613-H617 PolarHBondContact O-ND1 3.41Å; H613-I651 HydrophobicContact CB-CD1 3.46Å; H613-I651 VanDerWaalsContact CB-CD1 3.46Å | ||
| 614 | K | 97.9 | Very high | 97.4 | Very high | 90 Ų | 90 | 47.9 Ų | 47.9 | 39% | 0.391 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -51.3 | -38.7 | 177.2 | -72.3 | -176.1 | 169.9 | -164.5 | 0 | 113.9 | M616 H617 E618 D645 | K614-M616 PolarHBondContact O-N 2.91Å; K614-H617 PolarHBondContact O-N 2.96Å; K614-E618 HydrophobicContact CB-CB 4.21Å; K614-E618 IonicContact NZ-OE1 3.07Å; K614-E618 PolarHBondContact NZ-OE1 3.45Å; K614-E618 WeakPolarHBondContact O-CB 3.36Å; K614-E618 PolarHBondContact O-N 2.9Å; K614-D645 HydrophobicContact CB-CB 3.85Å |
| 615 | A | 97 | Very high | 97.2 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 3% | 0.033 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -56.1 | -24.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | H613 R643 D645 I651 | H613-A615 PolarHBondContact O-N 3.29Å; A615-R643 WeakPolarHBondContact O-CB 3.29Å; A615-D645 HydrophobicContact CB-CB 4.2Å; A615-I651 HydrophobicContact CB-CD1 4.3Å; A615-I651 HydrophobicContact CB-CG1 4.32Å |
| 616 | M | 97.4 | Very high | 97.2 | Very high | 14 Ų | 14 | 42.7 Ų | 42.7 | 7% | 0.069 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -78.6 | -16 | 179.4 | -58.7 | -67.3 | -74.7 | 0 | 0 | 113.7 | A559 Y610 H613 K614 R643 I651 | A559-M616 HydrophobicContact CB-CE 4.12Å; Y610-M616 HydrophobicContact CD2-CB 3.74Å; Y610-M616 HydrophobicContact CE2-CB 4.27Å; Y610-M616 VanDerWaalsContact CE2-O 3.26Å; Y610-M616 WeakPolarHBondContact CE2-O 3.45Å; H613-M616 HydrophobicContact CB-CG 4.01Å; H613-M616 WeakPolarHBondContact O-CB 3.33Å; H613-M616 PolarHBondContact O-N 2.86Å; K614-M616 PolarHBondContact O-N 2.91Å; M616-R643 PolarHBondContact O-NH1 2.98Å; M616-R643 PolarHBondContact O-NH2 2.93Å; M616-R643 HydrophobicContact SD-CG 4.44Å; M616-I651 HydrophobicContact CG-CD1 3.83Å; M616-I651 HydrophobicContact SD-CB 4.33Å; M616-I651 HydrophobicContact SD-CD1 3.92Å; M616-I651 HydrophobicContact SD-CG2 3.95Å |
| 617 | H | 97.7 | Very high | 97 | Very high | 11 Ų | 11 | 45.5 Ų | 45.5 | 5% | 0.051 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -145.1 | -24.1 | -169.6 | 61.8 | -99.9 | 0 | 0 | 0 | 117.1 | D240 P242 K563 Y610 H613 K614 L619 D620 | D240-H617 PolarHBondContact O-CD2 2.76Å; D240-H617 VanDerWaalsContact O-CD2 3.25Å; P242-H617 HydrophobicContact CB-CB 4.33Å; K563-H617 PolarHBondContact NZ-O 3.19Å; Y610-H617 HydrophobicContact CD2-CB 4.4Å; Y610-H617 HydrophobicContact CE1-CB 4.3Å; Y610-H617 HydrophobicContact CE2-CB 3.62Å; Y610-H617 PolarHBondContact O-CE1 3.44Å; Y610-H617 VanDerWaalsContact O-CE1 3.27Å; Y610-H617 PolarHBondContact O-ND1 2.74Å; Y610-H617 WeakPolarHBondContact OH-CB 3.27Å; H613-H617 PolarHBondContact O-CE1 3.13Å; H613-H617 PolarHBondContact O-ND1 3.41Å; K614-H617 PolarHBondContact O-N 2.96Å; H617-L619 VanDerWaalsContact C-N 3.3Å; H617-L619 PolarHBondContact O-N 3.34Å; H617-D620 WeakPolarHBondContact CA-OD2 3.44Å |
| 618 | E | 98 | Very high | 97 | Very high | 22 Ų | 22 | 48.1 Ų | 48.1 | 10% | 0.103 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -31 | -171.8 | -164.6 | -177.5 | -128.3 | 0 | 0 | 112.4 | D240 K614 D645 K646 | D240-E618 HydrophobicContact CB-CG 3.91Å; D240-E618 WeakPolarHBondContact CB-O 3.48Å; K614-E618 HydrophobicContact CB-CB 4.21Å; K614-E618 IonicContact NZ-OE1 3.07Å; K614-E618 PolarHBondContact NZ-OE1 3.45Å; K614-E618 WeakPolarHBondContact O-CB 3.36Å; K614-E618 PolarHBondContact O-N 2.9Å; E618-D645 WeakPolarHBondContact OE2-CB 3.27Å; E618-K646 HydrophobicContact CG-CD 4.06Å; E618-K646 HydrophobicContact CG-CG 4.25Å; E618-K646 WeakPolarHBondContact OE2-CB 3.29Å; E618-K646 WeakPolarHBondContact OE2-CG 3.46Å; E618-K646 PolarHBondContact OE2-N 3.16Å |
| 619 | L | 97.5 | Very high | 96.8 | Very high | 13 Ų | 13 | 46.1 Ų | 46.1 | 7% | 0.068 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | 36.1 | -177 | -64.4 | -177.2 | 0 | 0 | 0 | 112.3 | H617 F621 D622 Y624 K646 | H617-L619 VanDerWaalsContact C-N 3.3Å; H617-L619 PolarHBondContact O-N 3.34Å; L619-F621 PolarHBondContact O-N 3.49Å; L619-D622 HydrophobicContact CB-CB 4.24Å; L619-D622 HydrophobicContact CD2-CB 4.09Å; L619-D622 PolarHBondContact O-N 2.63Å; L619-Y624 HydrophobicContact CD1-CD1 3.72Å; L619-Y624 HydrophobicContact CD1-CE1 4.32Å; L619-K646 HydrophobicContact CD1-CG 4.37Å; L619-K646 HydrophobicContact CD2-CD 4.5Å; L619-K646 HydrophobicContact CD2-CG 3.69Å; L619-K646 HydrophobicContact CG-CG 4.16Å |
| 620 | D | 97.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -28.1 | 179.6 | -83.7 | -36.3 | 0 | 0 | 0 | 113.9 | N514 G562 K563 Y610 H617 R643 | N514-D620 PolarHBondContact ND2-O 2.89Å; G562-D620 PolarHBondContact N-OD1 3.35Å; K563-D620 WeakPolarHBondContact CD-OD2 3.49Å; K563-D620 WeakPolarHBondContact CE-OD2 3.41Å; K563-D620 IonicContact NZ-OD2 2.84Å; K563-D620 PolarHBondContact NZ-OD2 3.02Å; Y610-D620 PolarHBondContact OH-OD2 2.98Å; H617-D620 WeakPolarHBondContact CA-OD2 3.44Å; D620-R643 IonicContact OD1-CZ 2.93Å; D620-R643 IonicContact OD1-NH1 3.17Å; D620-R643 IonicContact OD1-NH2 2.96Å; D620-R643 PolarHBondContact OD1-NH2 3.07Å |
| 621 | F | 96 | Very high | 96.7 | Very high | 32 Ų | 32 | 48.2 Ų | 48.2 | 14% | 0.14 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | 13.1 | -174.3 | -43.3 | -56.4 | 0 | 0 | 0 | 113 | F239 Y479 N518 F519 K563 L619 | F239-F621 HydrophobicContact CB-CD2 3.94Å; F239-F621 HydrophobicContact CB-CE2 3.95Å; F239-F621 HydrophobicContact CD1-CD2 4.22Å; F239-F621 AromaticContact CD1-CE2 3.89Å; F239-F621 HydrophobicContact CD1-CE2 3.89Å; F239-F621 HydrophobicContact CG-CD2 4.34Å; F239-F621 HydrophobicContact CG-CE2 4.32Å; Y479-F621 HydrophobicContact CD1-CE2 4.43Å; Y479-F621 AromaticContact CD1-CZ 3.93Å; Y479-F621 HydrophobicContact CD1-CZ 3.93Å; Y479-F621 AromaticContact CE1-CE2 3.8Å; Y479-F621 HydrophobicContact CE1-CE2 3.8Å; Y479-F621 AromaticContact CE1-CZ 3.66Å; Y479-F621 HydrophobicContact CE1-CZ 3.66Å; N518-F621 VanDerWaalsContact C-CE1 3.47Å; N518-F621 HydrophobicContact CB-CD1 4.13Å; N518-F621 HydrophobicContact CB-CD2 4.37Å; N518-F621 HydrophobicContact CB-CE1 4Å; N518-F621 HydrophobicContact CB-CE2 4.24Å; N518-F621 HydrophobicContact CB-CG 4.3Å; N518-F621 HydrophobicContact CB-CZ 4.03Å; F519-F621 VanDerWaalsContact N-CE1 3.3Å; K563-F621 HydrophobicContact CD-CZ 4.26Å; K563-F621 HydrophobicContact CG-CZ 4.04Å; L619-F621 PolarHBondContact O-N 3.49Å |
| 622 | D | 95.3 | Very high | 96.4 | Very high | 71 Ų | 71 | 49 Ų | 49 | 38% | 0.38 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -115.7 | 125.5 | 176.4 | -172.1 | -40.7 | 0 | 0 | 0 | 108.9 | Y515 L619 Y624 G625 | Y515-D622 VanDerWaalsContact CE1-C 3.49Å; L619-D622 HydrophobicContact CB-CB 4.24Å; L619-D622 HydrophobicContact CD2-CB 4.09Å; L619-D622 PolarHBondContact O-N 2.63Å; D622-Y624 PolarHBondContact O-N 3.02Å; D622-Y624 VanDerWaalsContact O-N 3.09Å; D622-Y624 VanDerWaalsContact OD1-CB 3.28Å; D622-Y624 WeakPolarHBondContact OD1-CB 3.49Å; D622-Y624 PolarHBondContact OD1-N 3.37Å; D622-G625 PolarHBondContact O-N 3.18Å |
| 623 | P | 94.2 | Very high | 96.4 | Very high | 76 Ų | 76 | 42.9 Ų | 42.9 | 49% | 0.494 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -52.7 | -28.3 | 176.8 | -26.9 | 34.4 | 0 | 0 | 0 | 114.9 | Y515 G625 F626 | Y515-P623 HydrophobicContact CD1-CG 4.02Å; Y515-P623 HydrophobicContact CD2-CB 4.39Å; Y515-P623 HydrophobicContact CD2-CG 3.94Å; Y515-P623 HydrophobicContact CE1-CG 4.34Å; Y515-P623 HydrophobicContact CE2-CB 4.22Å; Y515-P623 HydrophobicContact CE2-CG 4.26Å; Y515-P623 HydrophobicContact CG-CG 3.8Å; P623-G625 PolarHBondContact O-N 3.07Å; P623-F626 PolarHBondContact O-N 2.8Å; P623-F626 VanDerWaalsContact O-O 3.07Å |
| 624 | Y | 94.4 | Very high | 96.4 | Very high | 124 Ų | 124 | 45.2 Ų | 45.2 | 49% | 0.486 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -63.5 | -28.2 | 176 | -179.9 | -111.2 | 0 | 0 | 0 | 112.9 | L619 D622 F626 R644 | L619-Y624 HydrophobicContact CD1-CD1 3.72Å; L619-Y624 HydrophobicContact CD1-CE1 4.32Å; D622-Y624 PolarHBondContact O-N 3.02Å; D622-Y624 VanDerWaalsContact O-N 3.09Å; D622-Y624 VanDerWaalsContact OD1-CB 3.28Å; D622-Y624 WeakPolarHBondContact OD1-CB 3.49Å; D622-Y624 PolarHBondContact OD1-N 3.37Å; Y624-F626 PolarHBondContact O-N 3.36Å; Y624-F626 VanDerWaalsContact O-N 3.14Å; Y624-R644 HydrophobicContact CE1-CB 4.35Å |
| 625 | G | 95.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -67.3 | -7.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | D622 P623 R643 R644 | D622-G625 PolarHBondContact O-N 3.18Å; P623-G625 PolarHBondContact O-N 3.07Å; G625-R643 VanDerWaalsContact O-CA 3.31Å; G625-R643 WeakPolarHBondContact O-CA 3.2Å; G625-R643 PolarHBondContact O-NE 3.27Å; G625-R644 PolarHBondContact O-N 2.99Å |
| 626 | F | 97.7 | Very high | 96.2 | Very high | 16 Ų | 16 | 52 Ų | 52 | 7% | 0.07 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 140.6 | -175.6 | 177.5 | -83.3 | 0 | 0 | 0 | 112.3 | I511 Y515 P561 P623 Y624 W628 F641 V642 | I511-F626 HydrophobicContact CD1-CD1 3.81Å; I511-F626 HydrophobicContact CD1-CD2 4.17Å; I511-F626 HydrophobicContact CD1-CE1 4.02Å; I511-F626 HydrophobicContact CD1-CE2 4.31Å; I511-F626 HydrophobicContact CD1-CG 3.91Å; I511-F626 HydrophobicContact CD1-CZ 4.26Å; I511-F626 HydrophobicContact CG1-CD1 3.75Å; I511-F626 HydrophobicContact CG1-CE1 3.68Å; I511-F626 HydrophobicContact CG1-CG 4.37Å; I511-F626 HydrophobicContact CG1-CZ 4.19Å; Y515-F626 WeakPolarHBondContact OH-CB 3.36Å; P561-F626 HydrophobicContact CG-CB 3.84Å; P561-F626 HydrophobicContact CG-CD2 3.47Å; P561-F626 VanDerWaalsContact CG-CD2 3.47Å; P561-F626 HydrophobicContact CG-CE2 4.3Å; P561-F626 HydrophobicContact CG-CG 3.89Å; P623-F626 PolarHBondContact O-N 2.8Å; P623-F626 VanDerWaalsContact O-O 3.07Å; Y624-F626 PolarHBondContact O-N 3.36Å; Y624-F626 VanDerWaalsContact O-N 3.14Å; F626-W628 AromaticContact CE1-CD1 3.81Å; F626-W628 AromaticContact CE1-CD2 3.78Å; F626-W628 HydrophobicContact CE1-CD2 3.78Å; F626-W628 AromaticContact CE1-CE2 3.58Å; F626-W628 HydrophobicContact CE1-CE3 4.46Å; F626-W628 AromaticContact CE1-CG 3.91Å; F626-W628 HydrophobicContact CE1-CG 3.91Å; F626-W628 HydrophobicContact CE1-CZ2 4.07Å; F626-W628 AromaticContact CE1-NE1 3.62Å; F626-W628 AromaticContact CZ-CD2 3.61Å; F626-W628 HydrophobicContact CZ-CD2 3.61Å; F626-W628 AromaticContact CZ-CE2 3.46Å; F626-W628 VanDerWaalsContact CZ-CE2 3.46Å; F626-W628 AromaticContact CZ-CE3 3.88Å; F626-W628 HydrophobicContact CZ-CE3 3.88Å; F626-W628 HydrophobicContact CZ-CG 4.22Å; F626-W628 AromaticContact CZ-CH2 3.77Å; F626-W628 HydrophobicContact CZ-CH2 3.77Å; F626-W628 AromaticContact CZ-CZ2 3.55Å; F626-W628 HydrophobicContact CZ-CZ2 3.55Å; F626-W628 AromaticContact CZ-CZ3 3.94Å; F626-W628 HydrophobicContact CZ-CZ3 3.94Å; F626-F641 HydrophobicContact CD2-CB 4.4Å; F626-F641 AromaticContact CD2-CD2 3.69Å; F626-F641 HydrophobicContact CD2-CD2 3.69Å; F626-F641 HydrophobicContact CD2-CE2 4.15Å; F626-F641 HydrophobicContact CD2-CG 4.18Å; F626-F641 HydrophobicContact CE1-CB 4.46Å; F626-F641 HydrophobicContact CE2-CB 3.63Å; F626-F641 AromaticContact CE2-CD1 3.94Å; F626-F641 HydrophobicContact CE2-CD1 3.94Å; F626-F641 AromaticContact CE2-CD2 3.27Å; F626-F641 HydrophobicContact CE2-CD2 3.27Å; F626-F641 HydrophobicContact CE2-CE1 4.37Å; F626-F641 AromaticContact CE2-CE2 3.78Å; F626-F641 HydrophobicContact CE2-CE2 3.78Å; F626-F641 AromaticContact CE2-CG 3.35Å; F626-F641 HydrophobicContact CE2-CG 3.35Å; F626-F641 HydrophobicContact CE2-CZ 4.29Å; F626-F641 HydrophobicContact CZ-CB 3.64Å; F626-F641 HydrophobicContact CZ-CD1 4.29Å; F626-F641 HydrophobicContact CZ-CD2 4.18Å; F626-F641 AromaticContact CZ-CG 3.81Å; F626-F641 HydrophobicContact CZ-CG 3.81Å; F626-V642 WeakPolarHBondContact CA-O 3.38Å |
| 627 | E | 96 | Very high | 96.2 | Very high | 70 Ų | 70 | 51.5 Ų | 51.5 | 33% | 0.327 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 136 | 169.8 | 174.3 | -168.7 | 145.9 | 0 | 0 | 111.4 | F641 V642 R644 N670 | E627-F641 CarbonylContact O-C 3.42Å; E627-F641 WeakPolarHBondContact O-CA 3.1Å; E627-F641 VanDerWaalsContact O-CB 3.23Å; E627-F641 WeakPolarHBondContact O-CB 3.05Å; E627-V642 HydrophobicContact CB-CG1 3.7Å; E627-V642 HydrophobicContact CG-CG1 4.43Å; E627-V642 PolarHBondContact N-O 2.98Å; E627-V642 PolarHBondContact O-N 3.45Å; E627-R644 IonicContact OE2-CZ 2.87Å; E627-R644 IonicContact OE2-NH1 2.61Å; E627-R644 PolarHBondContact OE2-NH1 2.72Å; E627-R644 IonicContact OE2-NH2 3.41Å; E627-R644 PolarHBondContact OE2-NH2 2.73Å; E627-N670 PolarHBondContact OE1-ND2 3.1Å; E627-N670 PolarHBondContact OE2-ND2 3.32Å |
| 628 | W | 97 | Very high | 96.2 | Very high | 56 Ų | 56 | 51.3 Ų | 51.3 | 21% | 0.212 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 130.3 | 172 | -69.5 | 117.2 | 0 | 0 | 0 | 111.7 | T508 I511 W556 F626 V631 L639 F641 | T508-W628 HydrophobicContact CG2-CH2 4.39Å; T508-W628 HydrophobicContact CG2-CZ2 4.26Å; I511-W628 HydrophobicContact CG2-CZ2 4.16Å; W556-W628 AromaticContact CH2-CH2 3.76Å; W556-W628 HydrophobicContact CH2-CH2 3.76Å; W556-W628 HydrophobicContact CH2-CZ3 4.13Å; W556-W628 HydrophobicContact CZ2-CH2 4.45Å; F626-W628 AromaticContact CE1-CD1 3.81Å; F626-W628 AromaticContact CE1-CD2 3.78Å; F626-W628 HydrophobicContact CE1-CD2 3.78Å; F626-W628 AromaticContact CE1-CE2 3.58Å; F626-W628 HydrophobicContact CE1-CE3 4.46Å; F626-W628 AromaticContact CE1-CG 3.91Å; F626-W628 HydrophobicContact CE1-CG 3.91Å; F626-W628 HydrophobicContact CE1-CZ2 4.07Å; F626-W628 AromaticContact CE1-NE1 3.62Å; F626-W628 AromaticContact CZ-CD2 3.61Å; F626-W628 HydrophobicContact CZ-CD2 3.61Å; F626-W628 AromaticContact CZ-CE2 3.46Å; F626-W628 VanDerWaalsContact CZ-CE2 3.46Å; F626-W628 AromaticContact CZ-CE3 3.88Å; F626-W628 HydrophobicContact CZ-CE3 3.88Å; F626-W628 HydrophobicContact CZ-CG 4.22Å; F626-W628 AromaticContact CZ-CH2 3.77Å; F626-W628 HydrophobicContact CZ-CH2 3.77Å; F626-W628 AromaticContact CZ-CZ2 3.55Å; F626-W628 HydrophobicContact CZ-CZ2 3.55Å; F626-W628 AromaticContact CZ-CZ3 3.94Å; F626-W628 HydrophobicContact CZ-CZ3 3.94Å; W628-V631 HydrophobicContact CB-CB 3.99Å; W628-V631 HydrophobicContact CD2-CB 3.93Å; W628-V631 HydrophobicContact CD2-CG2 3.7Å; W628-V631 HydrophobicContact CE3-CB 4.24Å; W628-V631 HydrophobicContact CE3-CG2 4.21Å; W628-V631 HydrophobicContact CG-CB 3.81Å; W628-V631 HydrophobicContact CG-CG2 3.83Å; W628-V631 HydrophobicContact CZ2-CG2 4.43Å; W628-L639 HydrophobicContact CE3-CD2 4.32Å; W628-L639 HydrophobicContact CH2-CD2 4.08Å; W628-L639 HydrophobicContact CZ3-CB 4.33Å; W628-L639 HydrophobicContact CZ3-CD2 3.7Å; W628-F641 HydrophobicContact CD2-CB 4.47Å; W628-F641 HydrophobicContact CE3-CB 3.77Å; W628-F641 HydrophobicContact CE3-CD1 4.25Å; W628-F641 HydrophobicContact CE3-CG 4.45Å; W628-F641 HydrophobicContact CH2-CD1 4.33Å; W628-F641 HydrophobicContact CZ3-CB 4.06Å; W628-F641 AromaticContact CZ3-CD1 3.66Å; W628-F641 HydrophobicContact CZ3-CD1 3.66Å; W628-F641 HydrophobicContact CZ3-CG 4.26Å |
| 629 | L | 96.1 | Very high | 96.2 | Very high | 35 Ų | 35 | 50.2 Ų | 50.2 | 18% | 0.183 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | -34 | 168.2 | -59.5 | -179.4 | 0 | 0 | 0 | 111.7 | I640 V642 I652 F667 | L629-I640 WeakPolarHBondContact CA-O 3.3Å; L629-I640 HydrophobicContact CB-CB 4.34Å; L629-I640 HydrophobicContact CB-CG2 4.09Å; L629-I640 HydrophobicContact CD1-CG2 4.15Å; L629-I640 PolarHBondContact N-O 3.06Å; L629-V642 HydrophobicContact CD1-CB 4.35Å; L629-V642 HydrophobicContact CD2-CG1 4.44Å; L629-I652 HydrophobicContact CD1-CD1 4.3Å; L629-I652 HydrophobicContact CD1-CG1 4.11Å; L629-I652 HydrophobicContact CD1-CG2 4.28Å; L629-F667 HydrophobicContact CB-CD2 4.47Å; L629-F667 HydrophobicContact CD1-CD2 4.25Å; L629-F667 HydrophobicContact CD1-CE2 4.11Å |
| 630 | V | 97.1 | Very high | 96.2 | Very high | 16 Ų | 16 | 49.7 Ų | 49.7 | 10% | 0.097 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 117 | 171.9 | -178.5 | 0 | 0 | 0 | 0 | 107.8 | D633 I640 F667 | V630-D633 HydrophobicContact CG1-CB 3.87Å; V630-I640 HydrophobicContact CB-CB 3.92Å; V630-I640 HydrophobicContact CB-CD1 4.44Å; V630-I640 HydrophobicContact CB-CG1 4.07Å; V630-I640 HydrophobicContact CG2-CB 4.06Å; V630-I640 HydrophobicContact CG2-CD1 3.99Å; V630-I640 HydrophobicContact CG2-CG1 4.14Å; V630-I640 PolarHBondContact N-O 3.41Å; V630-I640 PolarHBondContact O-N 3.24Å; V630-F667 HydrophobicContact CG2-CB 3.65Å |
| 631 | V | 95.9 | Very high | 96.3 | Very high | 55 Ų | 55 | 49.7 Ų | 49.7 | 33% | 0.333 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | -14.1 | -177.5 | 67.7 | 0 | 0 | 0 | 0 | 113.1 | H504 T508 W628 | H504-V631 PolarHBondContact CD2-O 3.5Å; H504-V631 PolarHBondContact NE2-O 3.26Å; T508-V631 HydrophobicContact CG2-CG2 3.66Å; W628-V631 HydrophobicContact CB-CB 3.99Å; W628-V631 HydrophobicContact CD2-CB 3.93Å; W628-V631 HydrophobicContact CD2-CG2 3.7Å; W628-V631 HydrophobicContact CE3-CB 4.24Å; W628-V631 HydrophobicContact CE3-CG2 4.21Å; W628-V631 HydrophobicContact CG-CB 3.81Å; W628-V631 HydrophobicContact CG-CG2 3.83Å; W628-V631 HydrophobicContact CZ2-CG2 4.43Å |
| 632 | D | 92.1 | Very high | 96.3 | Very high | 121 Ų | 121 | 48.2 Ų | 48.2 | 65% | 0.647 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 3.5 | -165.3 | 63.2 | -26.8 | 0 | 0 | 0 | 115 | K634 | D632-K634 PolarHBondContact O-N 2.98Å |
| 633 | D | 96.8 | Very high | 96.4 | Very high | 19 Ų | 19 | 44.8 Ų | 44.8 | 10% | 0.102 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 58.7 | 175.7 | -167.8 | 1.5 | 0 | 0 | 0 | 112.1 | V630 E635 R636 S637 V638 Y665 | V630-D633 HydrophobicContact CG1-CB 3.87Å; D633-E635 PolarHBondContact O-N 2.88Å; D633-R636 PolarHBondContact O-N 2.76Å; D633-R636 WeakPolarHBondContact OD1-CB 3.47Å; D633-R636 WeakPolarHBondContact OD1-CG 3.48Å; D633-R636 PolarHBondContact OD1-N 2.81Å; D633-R636 WeakPolarHBondContact OD2-CD 3.23Å; D633-R636 IonicContact OD2-NH1 3.64Å; D633-S637 PolarHBondContact O-N 3.01Å; D633-V638 HydrophobicContact CB-CB 4.36Å; D633-V638 PolarHBondContact O-N 3.21Å; D633-V638 VanDerWaalsContact O-N 3.16Å; D633-Y665 VanDerWaalsContact OD2-CE2 3.26Å; D633-Y665 WeakPolarHBondContact OD2-CE2 3.42Å; D633-Y665 PolarHBondContact OD2-OH 3.36Å |
| 634 | K | 96.2 | Very high | 96.6 | Very high | 103 Ų | 103 | 42.1 Ų | 42.1 | 45% | 0.448 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -64.3 | -37.4 | -179.1 | 65.4 | -176.2 | 177.7 | -174.7 | 0 | 112.3 | Q501 H504 D632 R636 S637 | Q501-K634 VanDerWaalsContact CA-O 3.24Å; Q501-K634 WeakPolarHBondContact CA-O 3.42Å; Q501-K634 WeakPolarHBondContact CB-O 3.37Å; H504-K634 HydrophobicContact CB-CB 3.66Å; D632-K634 PolarHBondContact O-N 2.98Å; K634-R636 PolarHBondContact O-N 3.32Å; K634-R636 VanDerWaalsContact O-N 3.14Å; K634-S637 PolarHBondContact O-N 3.16Å; K634-S637 PolarHBondContact O-OG 3.48Å |
| 635 | E | 96.2 | Very high | 96.7 | Very high | 116 Ų | 116 | 36.6 Ų | 36.6 | 54% | 0.542 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -59.5 | -29.8 | -178.3 | -68.2 | 75.3 | -164.4 | 0 | 0 | 111.7 | D633 | D633-E635 PolarHBondContact O-N 2.88Š|
| 636 | R | 95.6 | Very high | 96.7 | Very high | 122 Ų | 122 | 42.4 Ų | 42.4 | 46% | 0.46 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -105.7 | -7 | 177.6 | -60.2 | 176.3 | -176.8 | 156.4 | -0.3 | 113.6 | D633 K634 V638 T658 R662 | D633-R636 PolarHBondContact O-N 2.76Å; D633-R636 WeakPolarHBondContact OD1-CB 3.47Å; D633-R636 WeakPolarHBondContact OD1-CG 3.48Å; D633-R636 PolarHBondContact OD1-N 2.81Å; D633-R636 WeakPolarHBondContact OD2-CD 3.23Å; D633-R636 IonicContact OD2-NH1 3.64Å; K634-R636 PolarHBondContact O-N 3.32Å; K634-R636 VanDerWaalsContact O-N 3.14Å; R636-V638 VanDerWaalsContact C-N 3.31Å; R636-V638 HydrophobicContact CB-CG2 3.98Å; R636-T658 WeakPolarHBondContact O-CG2 3.38Å; R636-R662 PolarHBondContact O-NH2 2.84Å; R636-R662 VanDerWaalsContact O-NH2 3.15Å |
| 637 | S | 97.2 | Very high | 96.5 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.014 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 48.3 | -173.9 | -55 | 0 | 0 | 0 | 0 | 112.1 | Y492 R500 D633 K634 F657 | Y492-S637 WeakPolarHBondContact OH-CB 3.24Å; R500-S637 WeakPolarHBondContact CB-OG 3.47Å; D633-S637 PolarHBondContact O-N 3.01Å; K634-S637 PolarHBondContact O-N 3.16Å; K634-S637 PolarHBondContact O-OG 3.48Å; S637-F657 PolarHBondContact O-N 3.36Å |
| 638 | V | 97.9 | Very high | 96.3 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 130 | 177 | 175.9 | 0 | 0 | 0 | 0 | 109.6 | D633 R636 I640 S655 R662 Y665 | D633-V638 HydrophobicContact CB-CB 4.36Å; D633-V638 PolarHBondContact O-N 3.21Å; D633-V638 VanDerWaalsContact O-N 3.16Å; R636-V638 VanDerWaalsContact C-N 3.31Å; R636-V638 HydrophobicContact CB-CG2 3.98Å; V638-I640 HydrophobicContact CG1-CD1 4.18Å; V638-I640 HydrophobicContact CG1-CG1 3.97Å; V638-S655 VanDerWaalsContact CA-O 3.31Å; V638-S655 WeakPolarHBondContact CA-O 3.46Å; V638-R662 HydrophobicContact CG2-CG 4.45Å; V638-Y665 HydrophobicContact CB-CE2 4.38Å; V638-Y665 HydrophobicContact CG1-CE1 4.01Å; V638-Y665 HydrophobicContact CG1-CE2 4.25Å; V638-Y665 WeakPolarHBondContact CG1-OH 3.48Å; V638-Y665 HydrophobicContact CG2-CE2 4.14Å |
| 639 | L | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 130.2 | 176.3 | -77.3 | 153.3 | 0 | 0 | 0 | 108.7 | H504 L507 T508 W556 W628 S655 F657 | H504-L639 WeakPolarHBondContact NE2-CD2 3.48Å; L507-L639 HydrophobicContact CB-CD1 3.63Å; L507-L639 HydrophobicContact CD1-CD1 3.57Å; L507-L639 HydrophobicContact CG-CD1 4.28Å; T508-L639 HydrophobicContact CG2-CD2 3.61Å; W556-L639 HydrophobicContact CH2-CB 4.15Å; W556-L639 HydrophobicContact CH2-CD1 3.76Å; W556-L639 HydrophobicContact CH2-CG 4.39Å; W556-L639 HydrophobicContact CZ3-CB 3.77Å; W556-L639 HydrophobicContact CZ3-CD1 3.96Å; W556-L639 HydrophobicContact CZ3-CG 4.43Å; W628-L639 HydrophobicContact CE3-CD2 4.32Å; W628-L639 HydrophobicContact CH2-CD2 4.08Å; W628-L639 HydrophobicContact CZ3-CB 4.33Å; W628-L639 HydrophobicContact CZ3-CD2 3.7Å; L639-S655 PolarHBondContact N-O 2.99Å; L639-S655 PolarHBondContact O-N 2.95Å; L639-F657 HydrophobicContact CD1-CD2 4.33Å; L639-F657 HydrophobicContact CD1-CE2 4Å |
| 640 | I | 98 | Very high | 96.1 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 128.8 | 178.3 | -49 | -176.8 | 0 | 0 | 0 | 109.4 | L629 V630 V638 I652 V653 A654 Y665 F667 | L629-I640 WeakPolarHBondContact CA-O 3.3Å; L629-I640 HydrophobicContact CB-CB 4.34Å; L629-I640 HydrophobicContact CB-CG2 4.09Å; L629-I640 HydrophobicContact CD1-CG2 4.15Å; L629-I640 PolarHBondContact N-O 3.06Å; V630-I640 HydrophobicContact CB-CB 3.92Å; V630-I640 HydrophobicContact CB-CD1 4.44Å; V630-I640 HydrophobicContact CB-CG1 4.07Å; V630-I640 HydrophobicContact CG2-CB 4.06Å; V630-I640 HydrophobicContact CG2-CD1 3.99Å; V630-I640 HydrophobicContact CG2-CG1 4.14Å; V630-I640 PolarHBondContact N-O 3.41Å; V630-I640 PolarHBondContact O-N 3.24Å; V638-I640 HydrophobicContact CG1-CD1 4.18Å; V638-I640 HydrophobicContact CG1-CG1 3.97Å; I640-I652 HydrophobicContact CG2-CG2 3.78Å; I640-V653 VanDerWaalsContact CA-O 3.26Å; I640-V653 WeakPolarHBondContact CA-O 3.45Å; I640-V653 WeakPolarHBondContact CG2-O 3.22Å; I640-A654 HydrophobicContact CD1-CB 4.2Å; I640-A654 HydrophobicContact CG1-CB 4.03Å; I640-A654 HydrophobicContact CG2-CB 4.29Å; I640-Y665 HydrophobicContact CD1-CD1 4.39Å; I640-Y665 HydrophobicContact CD1-CE1 3.87Å; I640-F667 HydrophobicContact CD1-CB 3.9Å; I640-F667 HydrophobicContact CD1-CD1 3.4Å; I640-F667 VanDerWaalsContact CD1-CD1 3.4Å; I640-F667 HydrophobicContact CD1-CD2 3.95Å; I640-F667 HydrophobicContact CD1-CE1 3.84Å; I640-F667 HydrophobicContact CD1-CE2 4.34Å; I640-F667 HydrophobicContact CD1-CG 3.48Å; I640-F667 VanDerWaalsContact CD1-CG 3.48Å; I640-F667 HydrophobicContact CD1-CZ 4.29Å; I640-F667 HydrophobicContact CG2-CD2 3.84Å; I640-F667 HydrophobicContact CG2-CE2 3.72Å; I640-F667 HydrophobicContact CG2-CG 4.44Å; I640-F667 HydrophobicContact CG2-CZ 4.21Å |
| 641 | F | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 165.6 | 175.9 | 61 | -94.3 | 0 | 0 | 0 | 111 | W556 A559 F626 E627 W628 R643 V653 | W556-F641 HydrophobicContact CE3-CE1 4.02Å; W556-F641 HydrophobicContact CH2-CE1 4.08Å; W556-F641 HydrophobicContact CZ3-CD1 4.22Å; W556-F641 AromaticContact CZ3-CE1 3.62Å; W556-F641 HydrophobicContact CZ3-CE1 3.62Å; A559-F641 HydrophobicContact CB-CE2 4.27Å; A559-F641 HydrophobicContact CB-CZ 3.8Å; A559-F641 WeakPolarHBondContact O-CE2 3.34Å; F626-F641 HydrophobicContact CD2-CB 4.4Å; F626-F641 AromaticContact CD2-CD2 3.69Å; F626-F641 HydrophobicContact CD2-CD2 3.69Å; F626-F641 HydrophobicContact CD2-CE2 4.15Å; F626-F641 HydrophobicContact CD2-CG 4.18Å; F626-F641 HydrophobicContact CE1-CB 4.46Å; F626-F641 HydrophobicContact CE2-CB 3.63Å; F626-F641 AromaticContact CE2-CD1 3.94Å; F626-F641 HydrophobicContact CE2-CD1 3.94Å; F626-F641 AromaticContact CE2-CD2 3.27Å; F626-F641 HydrophobicContact CE2-CD2 3.27Å; F626-F641 HydrophobicContact CE2-CE1 4.37Å; F626-F641 AromaticContact CE2-CE2 3.78Å; F626-F641 HydrophobicContact CE2-CE2 3.78Å; F626-F641 AromaticContact CE2-CG 3.35Å; F626-F641 HydrophobicContact CE2-CG 3.35Å; F626-F641 HydrophobicContact CE2-CZ 4.29Å; F626-F641 HydrophobicContact CZ-CB 3.64Å; F626-F641 HydrophobicContact CZ-CD1 4.29Å; F626-F641 HydrophobicContact CZ-CD2 4.18Å; F626-F641 AromaticContact CZ-CG 3.81Å; F626-F641 HydrophobicContact CZ-CG 3.81Å; E627-F641 CarbonylContact O-C 3.42Å; E627-F641 WeakPolarHBondContact O-CA 3.1Å; E627-F641 VanDerWaalsContact O-CB 3.23Å; E627-F641 WeakPolarHBondContact O-CB 3.05Å; W628-F641 HydrophobicContact CD2-CB 4.47Å; W628-F641 HydrophobicContact CE3-CB 3.77Å; W628-F641 HydrophobicContact CE3-CD1 4.25Å; W628-F641 HydrophobicContact CE3-CG 4.45Å; W628-F641 HydrophobicContact CH2-CD1 4.33Å; W628-F641 HydrophobicContact CZ3-CB 4.06Å; W628-F641 AromaticContact CZ3-CD1 3.66Å; W628-F641 HydrophobicContact CZ3-CD1 3.66Å; W628-F641 HydrophobicContact CZ3-CG 4.26Å; F641-R643 HydrophobicContact CD2-CG 4.11Å; F641-R643 HydrophobicContact CE2-CG 3.78Å; F641-V653 HydrophobicContact CD1-CB 4.3Å; F641-V653 HydrophobicContact CD1-CG1 4.5Å; F641-V653 HydrophobicContact CD2-CB 4.04Å; F641-V653 HydrophobicContact CD2-CG2 4.18Å; F641-V653 HydrophobicContact CE1-CB 3.97Å; F641-V653 HydrophobicContact CE1-CG1 3.79Å; F641-V653 HydrophobicContact CE2-CB 3.69Å; F641-V653 HydrophobicContact CE2-CG1 4.15Å; F641-V653 HydrophobicContact CE2-CG2 3.63Å; F641-V653 HydrophobicContact CG-CB 4.35Å; F641-V653 HydrophobicContact CZ-CB 3.66Å; F641-V653 HydrophobicContact CZ-CG1 3.6Å; F641-V653 HydrophobicContact CZ-CG2 3.95Å; F641-V653 PolarHBondContact N-O 3.49Å; F641-V653 PolarHBondContact O-N 2.96Å |
| 642 | V | 97.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 140.8 | 173.5 | 64.5 | 0 | 0 | 0 | 0 | 110.4 | F626 E627 L629 E650 I651 I652 | F626-V642 WeakPolarHBondContact CA-O 3.38Å; E627-V642 HydrophobicContact CB-CG1 3.7Å; E627-V642 HydrophobicContact CG-CG1 4.43Å; E627-V642 PolarHBondContact N-O 2.98Å; E627-V642 PolarHBondContact O-N 3.45Å; L629-V642 HydrophobicContact CD1-CB 4.35Å; L629-V642 HydrophobicContact CD2-CG1 4.44Å; V642-E650 HydrophobicContact CG2-CB 3.59Å; V642-E650 HydrophobicContact CG2-CG 3.63Å; V642-I651 CarbonylContact C-O 3.57Å; V642-I651 WeakPolarHBondContact CA-O 3.1Å; V642-I652 HydrophobicContact CG2-CG1 4.44Å |
| 643 | R | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 141.8 | 169.8 | -66.4 | -59.4 | -55.7 | -80.6 | 1.5 | 110 | A559 F560 A615 M616 D620 G625 F641 E650 I651 V653 | A559-R643 WeakPolarHBondContact O-CD 3.16Å; A559-R643 PolarHBondContact O-NH1 3.38Å; F560-R643 PolarHBondContact O-NH1 2.63Å; A615-R643 WeakPolarHBondContact O-CB 3.29Å; M616-R643 PolarHBondContact O-NH1 2.98Å; M616-R643 PolarHBondContact O-NH2 2.93Å; M616-R643 HydrophobicContact SD-CG 4.44Å; D620-R643 IonicContact OD1-CZ 2.93Å; D620-R643 IonicContact OD1-NH1 3.17Å; D620-R643 IonicContact OD1-NH2 2.96Å; D620-R643 PolarHBondContact OD1-NH2 3.07Å; G625-R643 VanDerWaalsContact O-CA 3.31Å; G625-R643 WeakPolarHBondContact O-CA 3.2Å; G625-R643 PolarHBondContact O-NE 3.27Å; F641-R643 HydrophobicContact CD2-CG 4.11Å; F641-R643 HydrophobicContact CE2-CG 3.78Å; R643-E650 WeakPolarHBondContact O-CA 3.15Å; R643-I651 PolarHBondContact N-O 2.85Å; R643-I651 PolarHBondContact O-N 3.45Å; R643-V653 HydrophobicContact CG-CG2 4.45Å |
| 644 | R | 97.2 | Very high | 96.3 | Very high | 19 Ų | 19 | 43.9 Ų | 43.9 | 7% | 0.072 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 150.5 | -177 | -60.1 | -169.1 | 177.3 | 99.7 | -1.1 | 113.6 | Y624 G625 E627 N649 E650 N670 | Y624-R644 HydrophobicContact CE1-CB 4.35Å; G625-R644 PolarHBondContact O-N 2.99Å; E627-R644 IonicContact OE2-CZ 2.87Å; E627-R644 IonicContact OE2-NH1 2.61Å; E627-R644 PolarHBondContact OE2-NH1 2.72Å; E627-R644 IonicContact OE2-NH2 3.41Å; E627-R644 PolarHBondContact OE2-NH2 2.73Å; R644-N649 WeakPolarHBondContact CA-O 3.17Å; R644-E650 HydrophobicContact CG-CG 4.11Å; R644-E650 IonicContact CZ-OE1 3.17Å; R644-E650 IonicContact NE-OE1 3.34Å; R644-E650 PolarHBondContact NE-OE1 2.68Å; R644-E650 IonicContact NH2-OE1 3.56Å; R644-E650 PolarHBondContact NH2-OE1 2.8Å; R644-N670 PolarHBondContact NH2-ND2 2.83Å |
| 645 | D | 96.9 | Very high | 96.4 | Very high | 8 Ų | 8 | 39.7 Ų | 39.7 | 4% | 0.043 | 20% | 0.202 | C | C | . | . | trans | -103.1 | 176.3 | 164.3 | 70.5 | 15.4 | 0 | 0 | 0 | 111.5 | K614 A615 E618 E647 G648 N649 | K614-D645 HydrophobicContact CB-CB 3.85Å; A615-D645 HydrophobicContact CB-CB 4.2Å; E618-D645 WeakPolarHBondContact OE2-CB 3.27Å; D645-E647 PolarHBondContact O-N 3.01Å; D645-E647 WeakPolarHBondContact OD1-CA 3.37Å; D645-E647 PolarHBondContact OD1-N 3.09Å; D645-G648 PolarHBondContact O-N 3.09Å; D645-G648 VanDerWaalsContact O-N 3.09Å; D645-G648 PolarHBondContact OD1-N 3.23Å; D645-N649 PolarHBondContact N-O 3.23Å; D645-N649 WeakPolarHBondContact OD1-CB 3.24Å; D645-N649 PolarHBondContact OD1-N 3.26Å; D645-N649 PolarHBondContact OD1-ND2 3.43Å; D645-N649 WeakPolarHBondContact OD2-CB 3.47Å; D645-N649 PolarHBondContact OD2-ND2 3.49Å | ||
| 646 | K | 95.1 | Very high | 96.4 | Very high | 123 Ų | 123 | 36.8 Ų | 36.8 | 54% | 0.535 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -21.8 | -179.8 | -69.4 | 170.6 | -175.4 | 164 | 0 | 113.3 | D240 E618 L619 G648 | D240-K646 IonicContact OD2-NZ 2.63Å; D240-K646 PolarHBondContact OD2-NZ 3.02Å; E618-K646 HydrophobicContact CG-CD 4.06Å; E618-K646 HydrophobicContact CG-CG 4.25Å; E618-K646 WeakPolarHBondContact OE2-CB 3.29Å; E618-K646 WeakPolarHBondContact OE2-CG 3.46Å; E618-K646 PolarHBondContact OE2-N 3.16Å; L619-K646 HydrophobicContact CD1-CG 4.37Å; L619-K646 HydrophobicContact CD2-CD 4.5Å; L619-K646 HydrophobicContact CD2-CG 3.69Å; L619-K646 HydrophobicContact CG-CG 4.16Å; K646-G648 VanDerWaalsContact C-N 3.34Å |
| 647 | E | 94.9 | Very high | 96.5 | Very high | 142 Ų | 142 | 31.1 Ų | 31.1 | 66% | 0.664 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -6.1 | 178.6 | -66.5 | 174.5 | -162.2 | 0 | 0 | 112.2 | D645 | D645-E647 PolarHBondContact O-N 3.01Å; D645-E647 WeakPolarHBondContact OD1-CA 3.37Å; D645-E647 PolarHBondContact OD1-N 3.09Å |
| 648 | G | 91 | Very high | 96.5 | Very high | 17 Ų | 17 | 32.1 Ų | 32.1 | 18% | 0.175 | 17% | 0.174 | C | C | . | . | trans | 84.1 | 13.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | D645 K646 Q671 | D645-G648 PolarHBondContact O-N 3.09Å; D645-G648 VanDerWaalsContact O-N 3.09Å; D645-G648 PolarHBondContact OD1-N 3.23Å; K646-G648 VanDerWaalsContact C-N 3.34Å; G648-Q671 PolarHBondContact O-NE2 2.9Å | ||
| 649 | N | 93.5 | Very high | 96.4 | Very high | 85 Ų | 85 | 34.8 Ų | 34.8 | 46% | 0.455 | 19% | 0.192 | S | C | . | . | trans | -70.8 | 138.8 | 172.9 | -56 | -64.2 | 0 | 0 | 0 | 109.9 | R644 D645 | R644-N649 WeakPolarHBondContact CA-O 3.17Å; D645-N649 PolarHBondContact N-O 3.23Å; D645-N649 WeakPolarHBondContact OD1-CB 3.24Å; D645-N649 PolarHBondContact OD1-N 3.26Å; D645-N649 PolarHBondContact OD1-ND2 3.43Å; D645-N649 WeakPolarHBondContact OD2-CB 3.47Å; D645-N649 PolarHBondContact OD2-ND2 3.49Å | ||
| 650 | E | 94.8 | Very high | 96.3 | Very high | 29 Ų | 29 | 38.4 Ų | 38.4 | 14% | 0.136 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 140.4 | -171.8 | -72.9 | -171.8 | 160.3 | 0 | 0 | 112.8 | V642 R643 R644 W675 | V642-E650 HydrophobicContact CG2-CB 3.59Å; V642-E650 HydrophobicContact CG2-CG 3.63Å; R643-E650 WeakPolarHBondContact O-CA 3.15Å; R644-E650 HydrophobicContact CG-CG 4.11Å; R644-E650 IonicContact CZ-OE1 3.17Å; R644-E650 IonicContact NE-OE1 3.34Å; R644-E650 PolarHBondContact NE-OE1 2.68Å; R644-E650 IonicContact NH2-OE1 3.56Å; R644-E650 PolarHBondContact NH2-OE1 2.8Å; E650-W675 HydrophobicContact CB-CH2 3.67Å; E650-W675 HydrophobicContact CB-CZ3 4.21Å |
| 651 | I | 96.1 | Very high | 96.1 | Very high | 20 Ų | 20 | 41.7 Ų | 41.7 | 10% | 0.103 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 122.6 | 164 | -70.3 | 178.1 | 0 | 0 | 0 | 108.7 | H613 A615 M616 V642 R643 V653 I678 | H613-I651 HydrophobicContact CB-CD1 3.46Å; H613-I651 VanDerWaalsContact CB-CD1 3.46Å; A615-I651 HydrophobicContact CB-CD1 4.3Å; A615-I651 HydrophobicContact CB-CG1 4.32Å; M616-I651 HydrophobicContact CG-CD1 3.83Å; M616-I651 HydrophobicContact SD-CB 4.33Å; M616-I651 HydrophobicContact SD-CD1 3.92Å; M616-I651 HydrophobicContact SD-CG2 3.95Å; V642-I651 CarbonylContact C-O 3.57Å; V642-I651 WeakPolarHBondContact CA-O 3.1Å; R643-I651 PolarHBondContact N-O 2.85Å; R643-I651 PolarHBondContact O-N 3.45Å; I651-V653 HydrophobicContact CG2-CG2 4.27Å; I651-I678 HydrophobicContact CD1-CD1 3.97Å; I651-I678 HydrophobicContact CG1-CD1 4.36Å; I651-I678 HydrophobicContact CG2-CD1 4.18Å |
| 652 | I | 96.7 | Very high | 95.9 | Very high | 39 Ų | 39 | 45.6 Ų | 45.6 | 20% | 0.2 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 131.2 | 173.3 | -65.2 | 170 | 0 | 0 | 0 | 109.3 | L629 I640 V642 F667 I669 W675 | L629-I652 HydrophobicContact CD1-CD1 4.3Å; L629-I652 HydrophobicContact CD1-CG1 4.11Å; L629-I652 HydrophobicContact CD1-CG2 4.28Å; I640-I652 HydrophobicContact CG2-CG2 3.78Å; V642-I652 HydrophobicContact CG2-CG1 4.44Å; I652-F667 HydrophobicContact CD1-CE2 4.3Å; I652-F667 HydrophobicContact CG2-CE2 3.83Å; I652-F667 HydrophobicContact CG2-CZ 3.94Å; I652-I669 HydrophobicContact CD1-CB 4.33Å; I652-I669 HydrophobicContact CD1-CG2 3.62Å; I652-W675 HydrophobicContact CB-CZ3 4.31Å; I652-W675 HydrophobicContact CD1-CD2 3.81Å; I652-W675 HydrophobicContact CD1-CE3 3.74Å; I652-W675 HydrophobicContact CD1-CH2 3.51Å; I652-W675 HydrophobicContact CD1-CZ2 3.6Å; I652-W675 HydrophobicContact CD1-CZ3 3.6Å; I652-W675 HydrophobicContact CG1-CE3 4.08Å; I652-W675 HydrophobicContact CG1-CH2 3.71Å; I652-W675 HydrophobicContact CG1-CZ2 4.31Å; I652-W675 HydrophobicContact CG1-CZ3 3.59Å |
| 653 | V | 97.3 | Very high | 95.7 | Very high | 18 Ų | 18 | 53.1 Ų | 53.1 | 11% | 0.109 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 117.5 | 177.9 | -178.8 | 0 | 0 | 0 | 0 | 107.4 | A559 I640 F641 R643 I651 | A559-V653 HydrophobicContact CB-CB 4.17Å; A559-V653 HydrophobicContact CB-CG1 3.52Å; A559-V653 HydrophobicContact CB-CG2 3.65Å; I640-V653 VanDerWaalsContact CA-O 3.26Å; I640-V653 WeakPolarHBondContact CA-O 3.45Å; I640-V653 WeakPolarHBondContact CG2-O 3.22Å; F641-V653 HydrophobicContact CD1-CB 4.3Å; F641-V653 HydrophobicContact CD1-CG1 4.5Å; F641-V653 HydrophobicContact CD2-CB 4.04Å; F641-V653 HydrophobicContact CD2-CG2 4.18Å; F641-V653 HydrophobicContact CE1-CB 3.97Å; F641-V653 HydrophobicContact CE1-CG1 3.79Å; F641-V653 HydrophobicContact CE2-CB 3.69Å; F641-V653 HydrophobicContact CE2-CG1 4.15Å; F641-V653 HydrophobicContact CE2-CG2 3.63Å; F641-V653 HydrophobicContact CG-CB 4.35Å; F641-V653 HydrophobicContact CZ-CB 3.66Å; F641-V653 HydrophobicContact CZ-CG1 3.6Å; F641-V653 HydrophobicContact CZ-CG2 3.95Å; F641-V653 PolarHBondContact N-O 3.49Å; F641-V653 PolarHBondContact O-N 2.96Å; R643-V653 HydrophobicContact CG-CG2 4.45Å; I651-V653 HydrophobicContact CG2-CG2 4.27Å |
| 654 | A | 96.7 | Very high | 95.3 | Very high | 68 Ų | 68 | 60.6 Ų | 60.6 | 56% | 0.562 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 118.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | I640 | I640-A654 HydrophobicContact CD1-CB 4.2Å; I640-A654 HydrophobicContact CG1-CB 4.03Å; I640-A654 HydrophobicContact CG2-CB 4.29Å |
| 655 | S | 97.6 | Very high | 95.1 | Very high | 15 Ų | 15 | 62.6 Ų | 62.6 | 11% | 0.105 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 127.1 | -176.8 | -59.2 | 0 | 0 | 0 | 0 | 110.8 | V638 L639 F657 | V638-S655 VanDerWaalsContact CA-O 3.31Å; V638-S655 WeakPolarHBondContact CA-O 3.46Å; L639-S655 PolarHBondContact N-O 2.99Å; L639-S655 PolarHBondContact O-N 2.95Å; S655-F657 VanDerWaalsContact CB-CE2 3.45Å |
| 656 | N | 97.4 | Very high | 94.9 | Very high | 56 Ų | 56 | 71.6 Ų | 71.6 | 30% | 0.299 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 107.5 | 171.4 | 174.5 | 17.3 | 0 | 0 | 0 | 108.8 | T658 V660 | N656-T658 VanDerWaalsContact C-N 3.26Å; N656-T658 PolarHBondContact ND2-O 3.32Å; N656-T658 PolarHBondContact O-N 2.94Å; N656-T658 PolarHBondContact OD1-N 2.96Å; N656-T658 VanDerWaalsContact OD1-N 3.14Å; N656-T658 PolarHBondContact OD1-O 3.46Å; N656-T658 PolarHBondContact OD1-OG1 2.7Å; N656-V660 PolarHBondContact ND2-O 3.07Å |
| 657 | F | 98 | Very high | 94.7 | Very high | 3 Ų | 3 | 69.4 Ų | 69.4 | 1% | 0.013 | 36% | 0.357 | C | S | . | . | trans | -93.1 | 32 | -178.4 | -62.3 | -68.5 | 0 | 0 | 0 | 112.6 | Y492 M493 R500 L507 A552 W556 S637 L639 S655 | Y492-F657 HydrophobicContact CE1-CB 3.89Å; Y492-F657 HydrophobicContact CE1-CD1 4.46Å; Y492-F657 HydrophobicContact CE1-CD2 4.14Å; Y492-F657 AromaticContact CE1-CG 3.92Å; Y492-F657 HydrophobicContact CE1-CG 3.92Å; M493-F657 HydrophobicContact SD-CD1 3.92Å; M493-F657 HydrophobicContact SD-CE1 4.09Å; R500-F657 VanDerWaalsContact CD-O 3.26Å; R500-F657 WeakPolarHBondContact CD-O 3.33Å; R500-F657 PolarHBondContact NH1-O 2.65Å; L507-F657 HydrophobicContact CD1-CD2 3.51Å; L507-F657 HydrophobicContact CD1-CE2 3.24Å; L507-F657 HydrophobicContact CD1-CG 4.28Å; L507-F657 HydrophobicContact CD1-CZ 3.81Å; A552-F657 HydrophobicContact CB-CD1 4.45Å; A552-F657 HydrophobicContact CB-CE1 4.36Å; W556-F657 HydrophobicContact CB-CE1 4.44Å; W556-F657 HydrophobicContact CB-CZ 3.99Å; W556-F657 HydrophobicContact CD2-CE2 4.43Å; W556-F657 AromaticContact CD2-CZ 3.92Å; W556-F657 HydrophobicContact CD2-CZ 3.92Å; W556-F657 AromaticContact CE3-CE2 3.92Å; W556-F657 HydrophobicContact CE3-CE2 3.92Å; W556-F657 AromaticContact CE3-CZ 3.68Å; W556-F657 HydrophobicContact CE3-CZ 3.68Å; W556-F657 HydrophobicContact CG-CZ 4.07Å; W556-F657 HydrophobicContact CZ3-CE2 4.16Å; W556-F657 HydrophobicContact CZ3-CZ 4.37Å; S637-F657 PolarHBondContact O-N 3.36Å; L639-F657 HydrophobicContact CD1-CD2 4.33Å; L639-F657 HydrophobicContact CD1-CE2 4Å; S655-F657 VanDerWaalsContact CB-CE2 3.45Å | ||
| 658 | T | 96.6 | Very high | 94.4 | Very high | 22 Ų | 22 | 65.1 Ų | 65.1 | 14% | 0.135 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -130.2 | 152.8 | 169.1 | 67.2 | 0 | 0 | 0 | 0 | 110.7 | P497 R636 N656 V660 R662 | P497-T658 HydrophobicContact CB-CG2 4.49Å; R636-T658 WeakPolarHBondContact O-CG2 3.38Å; N656-T658 VanDerWaalsContact C-N 3.26Å; N656-T658 PolarHBondContact ND2-O 3.32Å; N656-T658 PolarHBondContact O-N 2.94Å; N656-T658 PolarHBondContact OD1-N 2.96Å; N656-T658 VanDerWaalsContact OD1-N 3.14Å; N656-T658 PolarHBondContact OD1-O 3.46Å; N656-T658 PolarHBondContact OD1-OG1 2.7Å; T658-V660 PolarHBondContact O-N 2.77Å; T658-V660 VanDerWaalsContact O-N 3.07Å; T658-R662 PolarHBondContact OG1-NH2 3.39Å; T658-R662 VanDerWaalsContact OG1-NH2 3.15Å |
| 659 | P | 95.3 | Very high | 94.3 | Very high | 64 Ų | 64 | 67 Ų | 67 | 42% | 0.416 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -72.9 | 4.5 | 176.8 | 31.9 | -36.9 | 0 | 0 | 0 | 113.1 | P497 P661 | P497-P659 HydrophobicContact CB-CG 4.49Å; P497-P659 HydrophobicContact CG-CG 4.45Å; P659-P661 WeakPolarHBondContact O-CD 3.49Å |
| 660 | V | 95.3 | Very high | 93.8 | Very high | 75 Ų | 75 | 66.5 Ų | 66.5 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -93.2 | 114.9 | -178.3 | -177.8 | 0 | 0 | 0 | 0 | 109.2 | N656 T658 | N656-V660 PolarHBondContact ND2-O 3.07Å; T658-V660 PolarHBondContact O-N 2.77Å; T658-V660 VanDerWaalsContact O-N 3.07Å |
| 661 | P | 94.8 | Very high | 93.1 | Very high | 72 Ų | 72 | 69.6 Ų | 69.6 | 47% | 0.468 | 37% | 0.368 | S | S | . | . | trans | -60.7 | 143.2 | 173.9 | -22.7 | 34.2 | 0 | 0 | 0 | 111.8 | P659 | P659-P661 WeakPolarHBondContact O-CD 3.49Š| ||
| 662 | R | 93.9 | Very high | 92.3 | Very high | 82 Ų | 82 | 74 Ų | 74 | 31% | 0.309 | 40% | 0.398 | S | S | . | . | trans | -109.2 | 89.5 | 179.1 | -53.5 | -56.8 | -177.9 | -178.1 | -0.3 | 110 | R636 V638 T658 Y665 | R636-R662 PolarHBondContact O-NH2 2.84Å; R636-R662 VanDerWaalsContact O-NH2 3.15Å; V638-R662 HydrophobicContact CG2-CG 4.45Å; T658-R662 PolarHBondContact OG1-NH2 3.39Å; T658-R662 VanDerWaalsContact OG1-NH2 3.15Å; R662-Y665 HydrophobicContact CB-CD2 4.01Å; R662-Y665 HydrophobicContact CB-CG 4.35Å; R662-Y665 HydrophobicContact CG-CD2 4.36Å | ||
| 663 | H | 91.7 | Very high | 91.6 | Very high | 159 Ų | 159 | 73.9 Ų | 73.9 | 74% | 0.736 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | 142.7 | 174.2 | -58.8 | -68.3 | 0 | 0 | 0 | 110.6 | Y665 | H663-Y665 PolarHBondContact O-N 2.7Å; H663-Y665 VanDerWaalsContact O-N 3.13Å |
| 664 | D | 90.2 | Very high | 91 | Very high | 157 Ų | 157 | 80.8 Ų | 80.8 | 84% | 0.84 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 28.8 | 176.9 | -53.5 | -52.7 | 0 | 0 | 0 | 115 | R666 | D664-R666 PolarHBondContact O-N 2.73Š|
| 665 | Y | 93.3 | Very high | 90.6 | Very high | 61 Ų | 61 | 80.3 Ų | 80.3 | 24% | 0.239 | 42% | 0.419 | C | S | . | . | trans | -69.6 | 126.2 | 178.2 | -166.6 | -81.4 | 0 | 0 | 0 | 110.9 | D633 V638 I640 R662 H663 F667 | D633-Y665 VanDerWaalsContact OD2-CE2 3.26Å; D633-Y665 WeakPolarHBondContact OD2-CE2 3.42Å; D633-Y665 PolarHBondContact OD2-OH 3.36Å; V638-Y665 HydrophobicContact CB-CE2 4.38Å; V638-Y665 HydrophobicContact CG1-CE1 4.01Å; V638-Y665 HydrophobicContact CG1-CE2 4.25Å; V638-Y665 WeakPolarHBondContact CG1-OH 3.48Å; V638-Y665 HydrophobicContact CG2-CE2 4.14Å; I640-Y665 HydrophobicContact CD1-CD1 4.39Å; I640-Y665 HydrophobicContact CD1-CE1 3.87Å; R662-Y665 HydrophobicContact CB-CD2 4.01Å; R662-Y665 HydrophobicContact CB-CG 4.35Å; R662-Y665 HydrophobicContact CG-CD2 4.36Å; H663-Y665 PolarHBondContact O-N 2.7Å; H663-Y665 VanDerWaalsContact O-N 3.13Å; Y665-F667 HydrophobicContact CD1-CD1 4.32Å; Y665-F667 HydrophobicContact CE1-CB 4.45Å | ||
| 666 | R | 92 | Very high | 90.3 | Very high | 196 Ų | 196 | 89 Ų | 89 | 74% | 0.74 | 45% | 0.449 | S | S | * | . | trans | -114.9 | 139.1 | -177.1 | -66.5 | -178.9 | 178.2 | -116.5 | -2.3 | 110.9 | D664 | D664-R666 PolarHBondContact O-N 2.73Š| ||
| 667 | F | 92.2 | Very high | 90.1 | Very high | 77 Ų | 77 | 89.2 Ų | 89.2 | 34% | 0.338 | 45% | 0.449 | S | S | . | . | trans | -145.4 | 162.5 | 173.3 | 63.3 | -82.6 | 0 | 0 | 0 | 110.2 | L629 V630 I640 I652 Y665 I669 | L629-F667 HydrophobicContact CB-CD2 4.47Å; L629-F667 HydrophobicContact CD1-CD2 4.25Å; L629-F667 HydrophobicContact CD1-CE2 4.11Å; V630-F667 HydrophobicContact CG2-CB 3.65Å; I640-F667 HydrophobicContact CD1-CB 3.9Å; I640-F667 HydrophobicContact CD1-CD1 3.4Å; I640-F667 VanDerWaalsContact CD1-CD1 3.4Å; I640-F667 HydrophobicContact CD1-CD2 3.95Å; I640-F667 HydrophobicContact CD1-CE1 3.84Å; I640-F667 HydrophobicContact CD1-CE2 4.34Å; I640-F667 HydrophobicContact CD1-CG 3.48Å; I640-F667 VanDerWaalsContact CD1-CG 3.48Å; I640-F667 HydrophobicContact CD1-CZ 4.29Å; I640-F667 HydrophobicContact CG2-CD2 3.84Å; I640-F667 HydrophobicContact CG2-CE2 3.72Å; I640-F667 HydrophobicContact CG2-CG 4.44Å; I640-F667 HydrophobicContact CG2-CZ 4.21Å; I652-F667 HydrophobicContact CD1-CE2 4.3Å; I652-F667 HydrophobicContact CG2-CE2 3.83Å; I652-F667 HydrophobicContact CG2-CZ 3.94Å; Y665-F667 HydrophobicContact CD1-CD1 4.32Å; Y665-F667 HydrophobicContact CE1-CB 4.45Å; F667-I669 HydrophobicContact CD2-CG2 4.15Å; F667-I669 HydrophobicContact CE2-CG2 3.68Å; F667-I669 HydrophobicContact CZ-CG2 4.41Å | ||
| 668 | G | 88.5 | Confident | 89.9 | Confident | 52 Ų | 52 | 92.7 Ų | 92.7 | 54% | 0.536 | 47% | 0.466 | S | S | . | . | trans | -77.8 | 148 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 669 | I | 87.8 | Confident | 89.8 | Confident | 58 Ų | 58 | 93.9 Ų | 93.9 | 30% | 0.297 | 47% | 0.472 | S | S | . | . | trans | -130.6 | 150.5 | 176.1 | 60.2 | 177.6 | 0 | 0 | 0 | 109.8 | I652 F667 Q671 A699 | I652-I669 HydrophobicContact CD1-CB 4.33Å; I652-I669 HydrophobicContact CD1-CG2 3.62Å; F667-I669 HydrophobicContact CD2-CG2 4.15Å; F667-I669 HydrophobicContact CE2-CG2 3.68Å; F667-I669 HydrophobicContact CZ-CG2 4.41Å; I669-Q671 VanDerWaalsContact CD1-O 3.31Å; I669-Q671 WeakPolarHBondContact CD1-O 3.26Å; I669-A699 HydrophobicContact CD1-CB 3.95Å | ||
| 670 | N | 82.6 | Confident | 89.9 | Confident | 74 Ų | 74 | 92.3 Ų | 92.3 | 40% | 0.396 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -79.5 | -30.7 | -176.3 | -70.3 | -30.7 | 0 | 0 | 0 | 113 | E627 R644 | E627-N670 PolarHBondContact OE1-ND2 3.1Å; E627-N670 PolarHBondContact OE2-ND2 3.32Å; R644-N670 PolarHBondContact NH2-ND2 2.83Å |
| 671 | Q | 80.2 | Confident | 90 | Very high | 93 Ų | 93 | 90.5 Ų | 90.5 | 44% | 0.435 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -122.2 | 126.1 | -178.1 | -57.7 | -171.7 | 32.7 | 0 | 0 | 111.6 | G648 I669 W675 | G648-Q671 PolarHBondContact O-NE2 2.9Å; I669-Q671 VanDerWaalsContact CD1-O 3.31Å; I669-Q671 WeakPolarHBondContact CD1-O 3.26Å; Q671-W675 HydrophobicContact CB-CZ2 4.45Å; Q671-W675 PolarHBondContact O-NE1 2.71Å |
| 672 | P | 79.7 | Confident | 90.1 | Very high | 112 Ų | 112 | 88.4 Ų | 88.4 | 73% | 0.727 | 43% | 0.434 | S | S | * | . | trans | -70.2 | 139.9 | 172.5 | 30.7 | -33.5 | 0 | 0 | 0 | 109.8 | ||||
| 673 | G | 81.6 | Confident | 90.2 | Very high | 37 Ų | 37 | 85.4 Ų | 85.4 | 38% | 0.381 | 43% | 0.425 | S | S | . | . | S | Bend | trans | 158.2 | 180 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A699 | G673-A699 WeakPolarHBondContact O-CB 3.02Š|
| 674 | K | 84.8 | Confident | 90.3 | Very high | 163 Ų | 163 | 83.6 Ų | 83.6 | 71% | 0.709 | 42% | 0.419 | S | S | * | . | B | Isolated β-bridge | trans | -84.5 | 122.4 | 171.9 | -71 | -172.5 | 173.6 | -169.2 | 0 | 109.3 | ||
| 675 | W | 88.9 | Confident | 90.5 | Very high | 58 Ų | 58 | 82.2 Ų | 82.2 | 22% | 0.22 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -96.8 | 137.6 | 175.2 | -70.1 | 81.1 | 0 | 0 | 0 | 109.4 | E650 I652 Q671 T696 P697 | E650-W675 HydrophobicContact CB-CH2 3.67Å; E650-W675 HydrophobicContact CB-CZ3 4.21Å; I652-W675 HydrophobicContact CB-CZ3 4.31Å; I652-W675 HydrophobicContact CD1-CD2 3.81Å; I652-W675 HydrophobicContact CD1-CE3 3.74Å; I652-W675 HydrophobicContact CD1-CH2 3.51Å; I652-W675 HydrophobicContact CD1-CZ2 3.6Å; I652-W675 HydrophobicContact CD1-CZ3 3.6Å; I652-W675 HydrophobicContact CG1-CE3 4.08Å; I652-W675 HydrophobicContact CG1-CH2 3.71Å; I652-W675 HydrophobicContact CG1-CZ2 4.31Å; I652-W675 HydrophobicContact CG1-CZ3 3.59Å; Q671-W675 HydrophobicContact CB-CZ2 4.45Å; Q671-W675 PolarHBondContact O-NE1 2.71Å; W675-T696 WeakPolarHBondContact O-CA 3.41Å; W675-P697 HydrophobicContact CB-CG 4.36Å; W675-P697 VanDerWaalsContact O-CD 3.23Å; W675-P697 WeakPolarHBondContact O-CD 3.34Å |
| 676 | R | 90.7 | Very high | 90.7 | Very high | 198 Ų | 198 | 80.2 Ų | 80.2 | 75% | 0.747 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -99.6 | 131.3 | 177.7 | 179.4 | 179.7 | 175 | -176.3 | -2.6 | 109.2 | I678 | R676-I678 HydrophobicContact CG-CG2 4.35Å; R676-I678 PolarHBondContact O-N 2.97Å |
| 677 | E | 93.1 | Very high | 90.9 | Very high | 61 Ų | 61 | 73 Ų | 73 | 29% | 0.285 | 37% | 0.374 | S | S | . | . | trans | -71.7 | 100.1 | 168.9 | -172.6 | 176.7 | 98.2 | 0 | 0 | 108.4 | N680 N693 G695 | E677-N680 HydrophobicContact CG-CB 4.21Å; E677-N680 WeakPolarHBondContact OE1-CB 3.39Å; E677-N680 PolarHBondContact OE1-ND2 3.03Å; E677-N693 WeakPolarHBondContact OE2-CB 3.27Å; E677-N693 PolarHBondContact OE2-N 2.92Å; E677-N693 PolarHBondContact OE2-ND2 3.27Å; E677-G695 PolarHBondContact N-O 3.21Å | ||
| 678 | I | 93.3 | Very high | 91.1 | Very high | 75 Ų | 75 | 70 Ų | 70 | 39% | 0.385 | 36% | 0.364 | S | S | . | . | trans | -82.7 | -29.4 | -177 | 60.4 | 172.6 | 0 | 0 | 0 | 112.8 | T609 I651 R676 | T609-I678 HydrophobicContact CG2-CD1 4.2Å; I651-I678 HydrophobicContact CD1-CD1 3.97Å; I651-I678 HydrophobicContact CG1-CD1 4.36Å; I651-I678 HydrophobicContact CG2-CD1 4.18Å; R676-I678 HydrophobicContact CG-CG2 4.35Å; R676-I678 PolarHBondContact O-N 2.97Å | ||
| 679 | L | 95.7 | Very high | 91.4 | Very high | 47 Ų | 47 | 71 Ų | 71 | 25% | 0.246 | 36% | 0.363 | C | S | . | . | trans | -153.1 | 138.6 | 177 | -174.1 | 144.9 | 0 | 0 | 0 | 109.9 | L602 D605 L606 T681 | L602-L679 HydrophobicContact CD1-CD1 4.34Å; L602-L679 HydrophobicContact CD1-CD2 4.05Å; D605-L679 HydrophobicContact CB-CD1 4.5Å; L606-L679 HydrophobicContact CD2-CD1 3.69Å; L606-L679 HydrophobicContact CD2-CD2 3.98Å; L606-L679 HydrophobicContact CG-CD1 4.1Å; L679-T681 HydrophobicContact CD2-CG2 3.86Å | ||
| 680 | N | 96.7 | Very high | 91.7 | Very high | 32 Ų | 32 | 72.3 Ų | 72.3 | 17% | 0.171 | 37% | 0.371 | C | S | . | . | trans | -135.8 | 112.9 | 176.1 | 177.5 | -9 | 0 | 0 | 0 | 109.5 | E677 D682 S683 Y686 A691 G692 | E677-N680 HydrophobicContact CG-CB 4.21Å; E677-N680 WeakPolarHBondContact OE1-CB 3.39Å; E677-N680 PolarHBondContact OE1-ND2 3.03Å; N680-D682 PolarHBondContact O-N 3.33Å; N680-D682 PolarHBondContact OD1-N 3.14Å; N680-S683 VanDerWaalsContact O-CB 3.27Å; N680-S683 WeakPolarHBondContact O-CB 3.5Å; N680-S683 PolarHBondContact O-N 3.09Å; N680-Y686 WeakPolarHBondContact O-CD2 3.41Å; N680-Y686 VanDerWaalsContact O-CE2 3.29Å; N680-Y686 WeakPolarHBondContact O-CE2 3.46Å; N680-A691 PolarHBondContact ND2-O 3.39Å; N680-G692 WeakPolarHBondContact ND2-CA 3.33Å | ||
| 681 | T | 97.7 | Very high | 92.1 | Very high | 37 Ų | 37 | 71.1 Ų | 71.1 | 23% | 0.227 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -14.4 | -176.4 | 59.1 | 0 | 0 | 0 | 0 | 113.4 | R551 L602 L679 | R551-T681 WeakPolarHBondContact CD-O 3.42Å; R551-T681 PolarHBondContact NE-O 2.92Å; R551-T681 WeakPolarHBondContact O-CG2 3.48Å; L602-T681 HydrophobicContact CD1-CG2 4.09Å; L602-T681 HydrophobicContact CD2-CG2 4.18Å; L679-T681 HydrophobicContact CD2-CG2 3.86Å |
| 682 | D | 97.3 | Very high | 92.5 | Very high | 27 Ų | 27 | 69 Ų | 69 | 14% | 0.144 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 5.3 | 174 | -165 | 53.6 | 0 | 0 | 0 | 113.4 | N680 G688 S689 N690 A691 | N680-D682 PolarHBondContact O-N 3.33Å; N680-D682 PolarHBondContact OD1-N 3.14Å; D682-G688 CarbonylContact O-C 3.45Å; D682-G688 WeakPolarHBondContact O-CA 3.38Å; D682-G688 VanDerWaalsContact OD1-CA 3.29Å; D682-G688 WeakPolarHBondContact OD1-CA 3.24Å; D682-S689 VanDerWaalsContact CG-N 3.29Å; D682-S689 PolarHBondContact O-N 2.91Å; D682-S689 PolarHBondContact OD1-N 2.95Å; D682-S689 WeakPolarHBondContact OD2-CB 3.29Å; D682-S689 PolarHBondContact OD2-N 2.97Å; D682-S689 PolarHBondContact OD2-OG 3.31Å; D682-N690 VanDerWaalsContact O-CA 3.23Å; D682-N690 WeakPolarHBondContact O-CA 3.47Å; D682-N690 PolarHBondContact O-N 3.05Å; D682-N690 PolarHBondContact OD2-N 3.25Å; D682-A691 WeakPolarHBondContact OD2-CB 3.37Å; D682-A691 PolarHBondContact OD2-N 3.18Å |
| 683 | S | 95.7 | Very high | 92.9 | Very high | 19 Ų | 19 | 68.5 Ų | 68.5 | 13% | 0.133 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -55.7 | 144.8 | 175.2 | -178.5 | 0 | 0 | 0 | 0 | 112.4 | N680 H685 Y686 H687 G688 | N680-S683 VanDerWaalsContact O-CB 3.27Å; N680-S683 WeakPolarHBondContact O-CB 3.5Å; N680-S683 PolarHBondContact O-N 3.09Å; S683-H685 PolarHBondContact O-N 3.01Å; S683-H685 VanDerWaalsContact O-N 3.14Å; S683-H685 PolarHBondContact OG-CD2 3.17Å; S683-H685 PolarHBondContact OG-N 2.75Å; S683-Y686 PolarHBondContact O-N 3.48Å; S683-H687 PolarHBondContact O-N 2.76Å; S683-G688 PolarHBondContact O-N 2.99Å |
| 684 | M | 94.5 | Very high | 92.6 | Very high | 122 Ų | 122 | 70.8 Ų | 70.8 | 60% | 0.601 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -58.1 | -24.7 | 172.8 | 63.8 | -177.2 | -70.3 | 0 | 0 | 113.2 | Y686 H687 N690 | M684-Y686 PolarHBondContact O-N 2.91Å; M684-H687 PolarHBondContact O-N 3.16Å; M684-N690 HydrophobicContact CB-CB 4.06Å; M684-N690 WeakPolarHBondContact CG-OD1 3.26Å; M684-N690 PolarHBondContact N-OD1 2.79Å |
| 685 | H | 94.1 | Very high | 91.8 | Very high | 128 Ų | 128 | 64.7 Ų | 64.7 | 59% | 0.593 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -63.7 | -24.8 | 174.9 | -68.3 | -62.7 | 0 | 0 | 0 | 113.1 | R601 S683 | R601-H685 PolarHBondContact NE-O 2.89Å; R601-H685 PolarHBondContact NH2-O 3.43Å; S683-H685 PolarHBondContact O-N 3.01Å; S683-H685 VanDerWaalsContact O-N 3.14Å; S683-H685 PolarHBondContact OG-CD2 3.17Å; S683-H685 PolarHBondContact OG-N 2.75Å |
| 686 | Y | 97.6 | Very high | 90.5 | Very high | 18 Ų | 18 | 65.6 Ų | 65.6 | 7% | 0.071 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -105.2 | 14.8 | 175.1 | -44.2 | -51.1 | 0 | 0 | 0 | 112.4 | R551 R601 L602 D605 N680 S683 M684 G688 | R551-Y686 WeakPolarHBondContact CD-O 3.39Å; R551-Y686 PolarHBondContact NE-O 3.01Å; R551-Y686 PolarHBondContact NH1-O 2.79Å; R551-Y686 VanDerWaalsContact NH1-O 3.17Å; R601-Y686 HydrophobicContact CB-CD1 4.09Å; R601-Y686 HydrophobicContact CB-CE1 4.2Å; L602-Y686 HydrophobicContact CB-CD1 3.76Å; L602-Y686 HydrophobicContact CB-CD2 4.41Å; L602-Y686 HydrophobicContact CB-CE1 4.08Å; L602-Y686 HydrophobicContact CB-CG 3.95Å; L602-Y686 HydrophobicContact CD1-CD2 3.93Å; L602-Y686 HydrophobicContact CD1-CE1 4.37Å; L602-Y686 HydrophobicContact CD1-CE2 3.72Å; L602-Y686 HydrophobicContact CD1-CG 4.33Å; D605-Y686 HydrophobicContact CB-CE1 4.39Å; D605-Y686 VanDerWaalsContact CB-OH 3.32Å; D605-Y686 WeakPolarHBondContact CB-OH 3.29Å; D605-Y686 WeakPolarHBondContact OD2-CE1 3.49Å; D605-Y686 PolarHBondContact OD2-OH 2.95Å; N680-Y686 WeakPolarHBondContact O-CD2 3.41Å; N680-Y686 VanDerWaalsContact O-CE2 3.29Å; N680-Y686 WeakPolarHBondContact O-CE2 3.46Å; S683-Y686 PolarHBondContact O-N 3.48Å; M684-Y686 PolarHBondContact O-N 2.91Å; Y686-G688 VanDerWaalsContact C-N 3.3Å; Y686-G688 PolarHBondContact O-N 2.97Å |
| 687 | H | 95.7 | Very high | 89 | Confident | 46 Ų | 46 | 58.5 Ų | 58.5 | 21% | 0.213 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 33.4 | -174.5 | -63.7 | -105.3 | 0 | 0 | 0 | 114.5 | W544 D593 N594 W595 S683 M684 | W544-H687 PolarHBondContact NE1-O 3.4Å; D593-H687 PolarHBondContact O-CE1 3.15Å; D593-H687 IonicContact OD1-CE1 3.16Å; D593-H687 IonicContact OD1-NE2 3.64Å; D593-H687 PolarHBondContact OD1-NE2 3.34Å; D593-H687 IonicContact OD2-NE2 2.96Å; N594-H687 PolarHBondContact O-CD2 2.89Å; N594-H687 PolarHBondContact O-NE2 2.72Å; W595-H687 AromaticContact CD1-CG 3.99Å; S683-H687 PolarHBondContact O-N 2.76Å; M684-H687 PolarHBondContact O-N 3.16Å |
| 688 | G | 95.7 | Very high | 87 | Confident | 13 Ų | 13 | 61.3 Ų | 61.3 | 13% | 0.134 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -82.4 | -176.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D682 S683 Y686 N690 | D682-G688 CarbonylContact O-C 3.45Å; D682-G688 WeakPolarHBondContact O-CA 3.38Å; D682-G688 VanDerWaalsContact OD1-CA 3.29Å; D682-G688 WeakPolarHBondContact OD1-CA 3.24Å; S683-G688 PolarHBondContact O-N 2.99Å; Y686-G688 VanDerWaalsContact C-N 3.3Å; Y686-G688 PolarHBondContact O-N 2.97Å; G688-N690 PolarHBondContact O-N 3.05Å |
| 689 | S | 95.2 | Very high | 85 | Confident | 72 Ų | 72 | 59.9 Ų | 59.9 | 50% | 0.503 | 38% | 0.381 | S | S | . | . | trans | -77 | -8.1 | -179.1 | 82.8 | 0 | 0 | 0 | 0 | 113.7 | D682 A691 | D682-S689 VanDerWaalsContact CG-N 3.29Å; D682-S689 PolarHBondContact O-N 2.91Å; D682-S689 PolarHBondContact OD1-N 2.95Å; D682-S689 WeakPolarHBondContact OD2-CB 3.29Å; D682-S689 PolarHBondContact OD2-N 2.97Å; D682-S689 PolarHBondContact OD2-OG 3.31Å; S689-A691 VanDerWaalsContact C-N 3.28Å | ||
| 690 | N | 94.1 | Very high | 82.5 | Confident | 87 Ų | 87 | 62.3 Ų | 62.3 | 47% | 0.465 | 40% | 0.398 | S | S | . | . | trans | 67.4 | 24 | -176.1 | -151.2 | 57.3 | 0 | 0 | 0 | 113.9 | D682 M684 G688 | D682-N690 VanDerWaalsContact O-CA 3.23Å; D682-N690 WeakPolarHBondContact O-CA 3.47Å; D682-N690 PolarHBondContact O-N 3.05Å; D682-N690 PolarHBondContact OD2-N 3.25Å; M684-N690 HydrophobicContact CB-CB 4.06Å; M684-N690 WeakPolarHBondContact CG-OD1 3.26Å; M684-N690 PolarHBondContact N-OD1 2.79Å; G688-N690 PolarHBondContact O-N 3.05Å | ||
| 691 | A | 91.5 | Very high | 79.3 | Confident | 48 Ų | 48 | 67.6 Ų | 67.6 | 40% | 0.397 | 43% | 0.431 | S | S | . | . | trans | -70.5 | 132.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | N680 D682 S689 | N680-A691 PolarHBondContact ND2-O 3.39Å; D682-A691 WeakPolarHBondContact OD2-CB 3.37Å; D682-A691 PolarHBondContact OD2-N 3.18Å; S689-A691 VanDerWaalsContact C-N 3.28Å | ||
| 692 | G | 89.3 | Confident | 76 | Confident | 49 Ų | 49 | 69.8 Ų | 69.8 | 51% | 0.505 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -176.5 | -168.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N680 | N680-G692 WeakPolarHBondContact ND2-CA 3.33Š|
| 693 | N | 87.1 | Confident | 72.8 | Confident | 102 Ų | 102 | 71.4 Ų | 71.4 | 55% | 0.545 | 48% | 0.476 | S | S | . | . | trans | -101.9 | 12.5 | -169.4 | -60.8 | -80.7 | 0 | 0 | 0 | 115.1 | E677 G695 P697 | E677-N693 WeakPolarHBondContact OE2-CB 3.27Å; E677-N693 PolarHBondContact OE2-N 2.92Å; E677-N693 PolarHBondContact OE2-ND2 3.27Å; N693-G695 PolarHBondContact O-N 3.36Å; N693-P697 HydrophobicContact CB-CB 4.42Å; N693-P697 HydrophobicContact CB-CG 4.34Å | ||
| 694 | G | 76.1 | Confident | 69.3 | Low | 84 Ų | 84 | 80.2 Ų | 80.2 | 87% | 0.866 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | 17.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 695 | G | 66.8 | Low | 66.1 | Low | 36 Ų | 36 | 84.8 Ų | 84.8 | 37% | 0.371 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.7 | -31.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | E677 N693 | E677-G695 PolarHBondContact N-O 3.21Å; N693-G695 PolarHBondContact O-N 3.36Å |
| 696 | T | 61.3 | Low | 62.8 | Low | 77 Ų | 77 | 86.8 Ų | 86.8 | 47% | 0.472 | 54% | 0.541 | S | S | . | . | trans | -148.3 | 96.2 | 176.7 | 49.8 | 0 | 0 | 0 | 0 | 111.3 | W675 D698 | W675-T696 WeakPolarHBondContact O-CA 3.41Å; T696-D698 PolarHBondContact O-N 3.29Å | ||
| 697 | P | 60.6 | Low | 59.2 | Low | 49 Ų | 49 | 90.8 Ų | 90.8 | 32% | 0.318 | 58% | 0.577 | S | S | . | * | trans | -60.6 | 130.4 | 167.3 | 21.8 | -32.4 | 0 | 0 | 0 | 111.2 | W675 N693 A699 | W675-P697 HydrophobicContact CB-CG 4.36Å; W675-P697 VanDerWaalsContact O-CD 3.23Å; W675-P697 WeakPolarHBondContact O-CD 3.34Å; N693-P697 HydrophobicContact CB-CB 4.42Å; N693-P697 HydrophobicContact CB-CG 4.34Å; P697-A699 PolarHBondContact O-N 3.34Å | ||
| 698 | D | 51.3 | Low | 55.8 | Low | 119 Ų | 119 | 91.7 Ų | 91.7 | 64% | 0.636 | 60% | 0.6 | S | S | * | * | B | Isolated β-bridge | trans | -79.1 | 115.4 | 174.6 | -84.5 | -31.7 | 0 | 0 | 0 | 110.1 | T696 T700 | T696-D698 PolarHBondContact O-N 3.29Å; D698-T700 PolarHBondContact O-N 3.2Å |
| 699 | A | 51.7 | Low | 52.4 | Low | 46 Ų | 46 | 97.2 Ų | 97.2 | 38% | 0.38 | 64% | 0.636 | S | S | . | * | trans | -73.2 | 108.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | I669 G673 P697 | I669-A699 HydrophobicContact CD1-CB 3.95Å; G673-A699 WeakPolarHBondContact O-CB 3.02Å; P697-A699 PolarHBondContact O-N 3.34Å | ||
| 700 | T | 42.5 | Very low | 49 | Very low | 98 Ų | 98 | 96.5 Ų | 96.5 | 60% | 0.601 | 64% | 0.64 | S | S | * | * | trans | -87.9 | 125.8 | 173.6 | 45.6 | 0 | 0 | 0 | 0 | 109.3 | D698 A702 | D698-T700 PolarHBondContact O-N 3.2Å; T700-A702 VanDerWaalsContact C-N 3.29Å; T700-A702 PolarHBondContact O-N 3.15Å | ||
| 701 | T | 30.3 | Very low | 45.7 | Very low | 142 Ų | 142 | 96 Ų | 96 | 87% | 0.871 | 66% | 0.655 | S | S | * | * | trans | -64.1 | 88.1 | 169.2 | 33 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 702 | A | 27.8 | Very low | 42.6 | Very low | 84 Ų | 84 | 105.6 Ų | 105.6 | 69% | 0.694 | 68% | 0.681 | S | S | * | * | trans | -145.6 | 93 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | T700 | T700-A702 VanDerWaalsContact C-N 3.29Å; T700-A702 PolarHBondContact O-N 3.15Å | ||
| 703 | G | 29.3 | Very low | 39.9 | Very low | 61 Ų | 61 | 111.3 Ų | 111.3 | 63% | 0.629 | 70% | 0.697 | S | S | * | * | trans | 167.6 | 59.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y705 | G703-Y705 PolarHBondContact O-N 3.49Š| ||
| 704 | H | 23.1 | Very low | 38.2 | Very low | 203 Ų | 203 | 111 Ų | 111 | 94% | 0.94 | 70% | 0.699 | S | S | * | * | trans | -64.2 | 83.8 | 157.3 | -88.8 | -91.6 | 0 | 0 | 0 | 108 | ||||
| 705 | Y | 25.9 | Very low | 37.8 | Very low | 219 Ų | 219 | 115.6 Ų | 115.6 | 86% | 0.859 | 70% | 0.698 | S | S | * | * | trans | -83.5 | 114.6 | 153.9 | -87.7 | -85.4 | 0 | 0 | 0 | 107.1 | G703 A707 | G703-Y705 PolarHBondContact O-N 3.49Å; Y705-A707 PolarHBondContact O-N 3.14Å | ||
| 706 | L | 25.5 | Very low | 38.8 | Very low | 170 Ų | 170 | 114.6 Ų | 114.6 | 89% | 0.89 | 68% | 0.684 | S | S | * | * | trans | -22.8 | 93 | 175.4 | -65.6 | 158.5 | 0 | 0 | 0 | 113.4 | G708 | L706-G708 PolarHBondContact O-N 3.29Š| ||
| 707 | A | 23.3 | Very low | 40.2 | Very low | 101 Ų | 101 | 113 Ų | 113 | 84% | 0.835 | 68% | 0.679 | S | S | * | * | trans | -65.8 | 87.3 | 150.6 | 0 | 0 | 0 | 0 | 0 | 106.1 | Y705 S709 | Y705-A707 PolarHBondContact O-N 3.14Å; A707-S709 PolarHBondContact O-N 3.12Å | ||
| 708 | G | 24.2 | Very low | 41.8 | Very low | 66 Ų | 66 | 116.5 Ų | 116.5 | 68% | 0.68 | 69% | 0.693 | S | S | * | * | trans | -56.3 | 109.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | L706 G710 | L706-G708 PolarHBondContact O-N 3.29Å; G708-G710 PolarHBondContact O-N 2.63Å | ||
| 709 | S | 23.5 | Very low | 43.7 | Very low | 128 Ų | 128 | 111.5 Ų | 111.5 | 90% | 0.895 | 67% | 0.67 | S | S | * | * | trans | -65.5 | 67.4 | 158.3 | 55.7 | 0 | 0 | 0 | 0 | 108.6 | A707 | A707-S709 PolarHBondContact O-N 3.12Š| ||
| 710 | G | 24.2 | Very low | 45.7 | Very low | 58 Ų | 58 | 116.6 Ų | 116.6 | 60% | 0.598 | 68% | 0.683 | S | S | * | * | trans | -93.8 | 138.3 | 155.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | G708 R712 | G708-G710 PolarHBondContact O-N 2.63Å; G710-R712 PolarHBondContact O-N 2.61Å | ||
| 711 | G | 25 | Very low | 48.2 | Very low | 75 Ų | 75 | 114.6 Ų | 114.6 | 77% | 0.773 | 67% | 0.672 | S | S | * | * | trans | -44.4 | 129.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | M713 | G711-M713 PolarHBondContact O-N 2.78Š| ||
| 712 | R | 26.5 | Very low | 51.1 | Low | 250 Ų | 250 | 110.7 Ų | 110.7 | 94% | 0.943 | 65% | 0.654 | S | S | * | * | trans | -60.4 | 92.4 | 167.5 | -84.6 | -177.7 | 172.4 | 178.4 | -4.1 | 107.5 | G710 T714 | G710-R712 PolarHBondContact O-N 2.61Å; R712-T714 PolarHBondContact O-N 3.44Å | ||
| 713 | M | 31.4 | Very low | 54.2 | Low | 170 Ų | 170 | 109.5 Ų | 109.5 | 84% | 0.837 | 64% | 0.639 | S | S | * | * | trans | -62.4 | 117.6 | 148.1 | -73.5 | -165 | -75.6 | 0 | 0 | 104.9 | G711 Q715 | G711-M713 PolarHBondContact O-N 2.78Å; M713-Q715 VanDerWaalsContact C-N 3.34Å; M713-Q715 PolarHBondContact O-N 2.79Å | ||
| 714 | T | 53 | Low | 57.2 | Low | 96 Ų | 96 | 109 Ų | 109 | 59% | 0.589 | 62% | 0.622 | S | S | * | * | trans | -53.7 | 98.1 | 172.1 | 12.8 | 0 | 0 | 0 | 0 | 108 | R712 Y759 | R712-T714 PolarHBondContact O-N 3.44Å; T714-Y759 VanDerWaalsContact O-CD1 3.26Å; T714-Y759 WeakPolarHBondContact O-CD1 3.43Å; T714-Y759 WeakPolarHBondContact O-CE1 3.44Å | ||
| 715 | Q | 67.7 | Low | 60.6 | Low | 180 Ų | 180 | 99.5 Ų | 99.5 | 84% | 0.841 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 138.9 | 172.4 | -82.6 | -176.8 | -27.5 | 0 | 0 | 108.6 | M713 | M713-Q715 VanDerWaalsContact C-N 3.34Å; M713-Q715 PolarHBondContact O-N 2.79Å |
| 716 | L | 87.4 | Confident | 64 | Low | 15 Ų | 15 | 89.6 Ų | 89.6 | 8% | 0.079 | 54% | 0.542 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 143.1 | 168.7 | -116.3 | 107.3 | 0 | 0 | 0 | 109.4 | L747 Y759 L761 P762 G771 L773 | L716-L747 HydrophobicContact CD1-CD2 3.76Å; L716-L747 HydrophobicContact CD2-CD2 4.18Å; L716-Y759 HydrophobicContact CD1-CD1 4.14Å; L716-Y759 HydrophobicContact CD1-CD2 3.99Å; L716-Y759 HydrophobicContact CD1-CG 3.54Å; L716-L761 HydrophobicContact CD2-CD2 4.2Å; L716-P762 HydrophobicContact CB-CG 4.47Å; L716-G771 VanDerWaalsContact CD2-C 3.48Å; L716-L773 HydrophobicContact CD1-CD1 3.98Å; L716-L773 HydrophobicContact CD2-CB 4.49Å; L716-L773 HydrophobicContact CG-CB 4.38Å; L716-L773 HydrophobicContact CG-CD1 4.18Å |
| 717 | A | 91.3 | Very high | 67.3 | Low | 44 Ų | 44 | 84.1 Ų | 84.1 | 36% | 0.364 | 51% | 0.512 | S | S | . | . | B | Isolated β-bridge | trans | -79.6 | 160.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | G719 P762 G771 Y772 | A717-G719 PolarHBondContact O-N 2.72Å; A717-P762 WeakPolarHBondContact O-CG 3.1Å; A717-G771 CarbonylContact O-C 3.6Å; A717-G771 WeakPolarHBondContact O-CA 3.38Å; A717-Y772 PolarHBondContact N-O 3.35Å; A717-Y772 PolarHBondContact O-N 2.73Å |
| 718 | I | 93.4 | Very high | 70.8 | Confident | 121 Ų | 121 | 81.4 Ų | 81.4 | 62% | 0.621 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -66 | 127.3 | 169.9 | -65.4 | 174.2 | 0 | 0 | 0 | 108.5 | P762 | I718-P762 HydrophobicContact CG1-CB 4Å; I718-P762 HydrophobicContact CG1-CG 3.96Å |
| 719 | G | 91.4 | Very high | 74 | Confident | 14 Ų | 14 | 82.2 Ų | 82.2 | 14% | 0.144 | 47% | 0.469 | C | S | . | . | trans | -92.3 | -161.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A717 N734 H770 | A717-G719 PolarHBondContact O-N 2.72Å; G719-N734 VanDerWaalsContact CA-OD1 3.28Å; G719-N734 WeakPolarHBondContact CA-OD1 3.38Å; G719-H770 PolarHBondContact O-CE1 2.77Å; G719-H770 VanDerWaalsContact O-CE1 3.26Å; G719-H770 PolarHBondContact O-ND1 2.97Å; G719-H770 VanDerWaalsContact O-ND1 3.08Å | ||
| 720 | K | 94.2 | Very high | 77.2 | Confident | 153 Ų | 153 | 77.9 Ų | 77.9 | 67% | 0.665 | 44% | 0.444 | S | S | * | . | trans | -108 | 145.5 | 169.7 | -64.4 | -178.7 | -177.7 | 176.7 | 0 | 109.1 | A722 N734 T736 | K720-A722 WeakPolarHBondContact CB-O 3.35Å; K720-A722 PolarHBondContact O-N 3.38Å; K720-A722 VanDerWaalsContact O-N 3.16Å; K720-N734 PolarHBondContact N-OD1 3.25Å; K720-N734 PolarHBondContact O-ND2 2.68Å; K720-N734 PolarHBondContact O-OD1 3.02Å; K720-T736 WeakPolarHBondContact O-CG2 3.5Å | ||
| 721 | P | 93.9 | Very high | 80.5 | Confident | 57 Ų | 57 | 82.2 Ų | 82.2 | 37% | 0.37 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -72.3 | -3.5 | 177.5 | 30.7 | -36.1 | 0 | 0 | 0 | 113.9 | I768 | P721-I768 HydrophobicContact CB-CB 4.22Å; P721-I768 HydrophobicContact CB-CG2 3.94Å |
| 722 | A | 91.8 | Very high | 83.8 | Confident | 59 Ų | 59 | 78.6 Ų | 78.6 | 49% | 0.488 | 41% | 0.412 | S | S | . | . | trans | -141.9 | 152.7 | 176 | 0 | 0 | 0 | 0 | 0 | 110.4 | K720 | K720-A722 WeakPolarHBondContact CB-O 3.35Å; K720-A722 PolarHBondContact O-N 3.38Å; K720-A722 VanDerWaalsContact O-N 3.16Å | ||
| 723 | P | 91.9 | Very high | 87.1 | Confident | 59 Ų | 59 | 66.7 Ų | 66.7 | 38% | 0.383 | 37% | 0.367 | S | S | . | . | S | Bend | cis | -72.4 | 167.8 | -2.5 | 31.3 | -35.4 | 0 | 0 | 0 | 113.2 | H727 T736 | P723-H727 HydrophobicContact CG-CB 3.64Å; P723-T736 WeakPolarHBondContact O-CG2 3.11Å; P723-T736 PolarHBondContact O-OG1 2.77Å |
| 724 | L | 93.1 | Very high | 90.2 | Very high | 52 Ų | 52 | 59.2 Ų | 59.2 | 27% | 0.272 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -66.9 | 140.6 | 176.2 | -66.9 | 178.3 | 0 | 0 | 0 | 111.7 | T736 I768 A1031 | L724-T736 VanDerWaalsContact C-OG1 3.3Å; L724-T736 WeakPolarHBondContact CA-OG1 3.29Å; L724-I768 HydrophobicContact CD2-CD1 3.69Å; L724-A1031 HydrophobicContact CD1-CB 3.94Å |
| 725 | G | 95 | Very high | 92.4 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | S | Bend | trans | 81.4 | -165.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | T736 D806 | G725-T736 PolarHBondContact N-OG1 3.25Å; G725-T736 PolarHBondContact O-N 2.92Å; G725-T736 PolarHBondContact O-OG1 3.17Å; G725-D806 WeakPolarHBondContact CA-OD2 3.48Å |
| 726 | A | 96.8 | Very high | 93.8 | Very high | 11 Ų | 11 | 46.1 Ų | 46.1 | 9% | 0.091 | 26% | 0.263 | C | S | . | . | trans | -81.5 | 124.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V733 N734 F735 Y782 D806 V843 | A726-V733 HydrophobicContact CB-CG1 3.98Å; A726-N734 CarbonylContact C-O 3.39Å; A726-N734 WeakPolarHBondContact CA-O 3.38Å; A726-F735 HydrophobicContact CB-CD1 3.7Å; A726-F735 HydrophobicContact CB-CE1 3.69Å; A726-Y782 HydrophobicContact CB-CE1 3.84Å; A726-Y782 HydrophobicContact CB-CE2 4.12Å; A726-Y782 VanDerWaalsContact CB-CZ 3.47Å; A726-Y782 VanDerWaalsContact CB-OH 3.22Å; A726-Y782 WeakPolarHBondContact CB-OH 3.35Å; A726-D806 PolarHBondContact N-OD2 2.96Å; A726-V843 HydrophobicContact CB-CG2 4.23Å | ||
| 727 | H | 95.5 | Very high | 94.3 | Very high | 55 Ų | 55 | 45.5 Ų | 45.5 | 26% | 0.255 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 121.8 | -179.5 | -170 | 78.5 | 0 | 0 | 0 | 111.9 | P723 V733 N734 D846 | P723-H727 HydrophobicContact CG-CB 3.64Å; H727-V733 WeakPolarHBondContact O-CA 3.47Å; H727-N734 PolarHBondContact N-O 3Å; H727-N734 PolarHBondContact O-N 3.47Å; H727-D846 IonicContact CE1-OD2 3.01Å; H727-D846 IonicContact ND1-OD2 3.74Å |
| 728 | Y | 95.4 | Very high | 94.6 | Very high | 45 Ų | 45 | 44 Ų | 44 | 18% | 0.176 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 120 | 176.6 | 177.5 | -111 | 0 | 0 | 0 | 110.8 | G730 G732 V733 A776 R777 P778 V845 | Y728-G730 VanDerWaalsContact CZ-CA 3.44Å; Y728-G730 PolarHBondContact OH-O 3.16Å; Y728-G732 WeakPolarHBondContact CA-O 3.46Å; Y728-G732 WeakPolarHBondContact CD2-O 3.34Å; Y728-V733 HydrophobicContact CD2-CG2 4.05Å; Y728-A776 WeakPolarHBondContact CE2-O 3.16Å; Y728-R777 PolarHBondContact OH-NH1 2.52Å; Y728-P778 HydrophobicContact CD1-CG 3.69Å; Y728-P778 HydrophobicContact CD2-CG 4.34Å; Y728-P778 HydrophobicContact CE1-CG 3.92Å; Y728-P778 HydrophobicContact CG-CG 3.9Å; Y728-V845 HydrophobicContact CD1-CG2 4.11Å |
| 729 | D | 92.3 | Very high | 94.8 | Very high | 82 Ų | 82 | 38.3 Ų | 38.3 | 44% | 0.439 | 22% | 0.215 | S | C | . | . | trans | -99.1 | 3.8 | -175.7 | 68.1 | 5 | 0 | 0 | 0 | 114 | Q731 G732 Y772 | D729-Q731 WeakPolarHBondContact OD1-CA 3.19Å; D729-Q731 PolarHBondContact OD1-N 2.74Å; D729-G732 PolarHBondContact N-O 3.3Å; D729-G732 PolarHBondContact OD1-N 3.38Å; D729-G732 VanDerWaalsContact OD1-O 3.13Å; D729-Y772 PolarHBondContact OD1-OH 3.46Å; D729-Y772 VanDerWaalsContact OD1-OH 3.06Å; D729-Y772 WeakPolarHBondContact OD2-CE2 3.29Å; D729-Y772 PolarHBondContact OD2-OH 3.39Å | ||
| 730 | G | 91 | Very high | 95 | Very high | 37 Ų | 37 | 39 Ų | 39 | 38% | 0.381 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 98 | -19.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y728 | Y728-G730 VanDerWaalsContact CZ-CA 3.44Å; Y728-G730 PolarHBondContact OH-O 3.16Å |
| 731 | Q | 92.2 | Very high | 95.2 | Very high | 149 Ų | 149 | 35.1 Ų | 35.1 | 70% | 0.696 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -114.9 | -30.2 | 179.4 | -61.1 | -171.4 | 35.7 | 0 | 0 | 112.8 | D729 D775 | D729-Q731 WeakPolarHBondContact OD1-CA 3.19Å; D729-Q731 PolarHBondContact OD1-N 2.74Å; Q731-D775 WeakPolarHBondContact O-CA 3.3Å; Q731-D775 PolarHBondContact O-N 3.33Å |
| 732 | G | 94.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.8 | -164.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y728 D729 Y772 L773 | Y728-G732 WeakPolarHBondContact CA-O 3.46Å; Y728-G732 WeakPolarHBondContact CD2-O 3.34Å; D729-G732 PolarHBondContact N-O 3.3Å; D729-G732 PolarHBondContact OD1-N 3.38Å; D729-G732 VanDerWaalsContact OD1-O 3.13Å; G732-Y772 WeakPolarHBondContact CA-OH 3.44Å; G732-Y772 PolarHBondContact N-OH 2.97Å; G732-L773 WeakPolarHBondContact CA-O 3.37Å |
| 733 | V | 96.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 123.4 | -179 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | A726 H727 Y728 F735 L773 A776 V843 | A726-V733 HydrophobicContact CB-CG1 3.98Å; H727-V733 WeakPolarHBondContact O-CA 3.47Å; Y728-V733 HydrophobicContact CD2-CG2 4.05Å; V733-F735 HydrophobicContact CB-CD2 4.36Å; V733-F735 HydrophobicContact CB-CE2 3.64Å; V733-F735 HydrophobicContact CB-CZ 3.89Å; V733-F735 HydrophobicContact CG1-CD1 4.34Å; V733-F735 HydrophobicContact CG1-CD2 4Å; V733-F735 HydrophobicContact CG1-CE1 3.87Å; V733-F735 HydrophobicContact CG1-CE2 3.49Å; V733-F735 VanDerWaalsContact CG1-CE2 3.49Å; V733-F735 HydrophobicContact CG1-CG 4.4Å; V733-F735 HydrophobicContact CG1-CZ 3.42Å; V733-F735 VanDerWaalsContact CG1-CZ 3.42Å; V733-L773 PolarHBondContact N-O 2.89Å; V733-L773 PolarHBondContact O-N 3.38Å; V733-A776 HydrophobicContact CB-CB 3.98Å; V733-A776 HydrophobicContact CG2-CB 3.52Å; V733-V843 HydrophobicContact CG1-CG1 4.13Å; V733-V843 HydrophobicContact CG1-CG2 4.07Å; V733-V843 HydrophobicContact CG2-CG1 3.69Å; V733-V843 HydrophobicContact CG2-CG2 4.32Å |
| 734 | N | 97.3 | Very high | 95.9 | Very high | 12 Ų | 12 | 38.9 Ų | 38.9 | 6% | 0.064 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 127.4 | 167.8 | -170.5 | 70.2 | 0 | 0 | 0 | 108.9 | G719 K720 A726 H727 T736 Y772 | G719-N734 VanDerWaalsContact CA-OD1 3.28Å; G719-N734 WeakPolarHBondContact CA-OD1 3.38Å; K720-N734 PolarHBondContact N-OD1 3.25Å; K720-N734 PolarHBondContact O-ND2 2.68Å; K720-N734 PolarHBondContact O-OD1 3.02Å; A726-N734 CarbonylContact C-O 3.39Å; A726-N734 WeakPolarHBondContact CA-O 3.38Å; H727-N734 PolarHBondContact N-O 3Å; H727-N734 PolarHBondContact O-N 3.47Å; N734-T736 WeakPolarHBondContact ND2-CG2 3.46Å; N734-Y772 HydrophobicContact CB-CD2 4.04Å |
| 735 | F | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 137.3 | 176.8 | -64.9 | -89.7 | 0 | 0 | 0 | 109.3 | A726 V733 L747 L761 H770 G771 L773 Y782 V843 | A726-F735 HydrophobicContact CB-CD1 3.7Å; A726-F735 HydrophobicContact CB-CE1 3.69Å; V733-F735 HydrophobicContact CB-CD2 4.36Å; V733-F735 HydrophobicContact CB-CE2 3.64Å; V733-F735 HydrophobicContact CB-CZ 3.89Å; V733-F735 HydrophobicContact CG1-CD1 4.34Å; V733-F735 HydrophobicContact CG1-CD2 4Å; V733-F735 HydrophobicContact CG1-CE1 3.87Å; V733-F735 HydrophobicContact CG1-CE2 3.49Å; V733-F735 VanDerWaalsContact CG1-CE2 3.49Å; V733-F735 HydrophobicContact CG1-CG 4.4Å; V733-F735 HydrophobicContact CG1-CZ 3.42Å; V733-F735 VanDerWaalsContact CG1-CZ 3.42Å; F735-L747 HydrophobicContact CD1-CD1 3.72Å; F735-L747 HydrophobicContact CD1-CD2 4.32Å; F735-L747 HydrophobicContact CD2-CD2 3.67Å; F735-L747 HydrophobicContact CE1-CD1 3.86Å; F735-L747 HydrophobicContact CE1-CD2 4.37Å; F735-L747 HydrophobicContact CE2-CD2 3.73Å; F735-L747 HydrophobicContact CG-CD1 4.08Å; F735-L747 HydrophobicContact CG-CD2 3.97Å; F735-L747 HydrophobicContact CZ-CD1 4.33Å; F735-L747 HydrophobicContact CZ-CD2 4.09Å; F735-L761 HydrophobicContact CB-CD2 4.4Å; F735-H770 WeakPolarHBondContact O-CA 3.49Å; F735-H770 WeakPolarHBondContact O-CB 3.49Å; F735-G771 PolarHBondContact N-O 2.96Å; F735-G771 PolarHBondContact O-N 3.42Å; F735-L773 HydrophobicContact CE2-CB 3.9Å; F735-L773 HydrophobicContact CE2-CD2 4.48Å; F735-Y782 AromaticContact CD1-CD2 3.93Å; F735-Y782 HydrophobicContact CD1-CD2 3.93Å; F735-Y782 AromaticContact CD1-CE2 3.9Å; F735-Y782 HydrophobicContact CD1-CE2 3.9Å; F735-Y782 HydrophobicContact CE1-CD1 4.12Å; F735-Y782 AromaticContact CE1-CD2 3.64Å; F735-Y782 HydrophobicContact CE1-CD2 3.64Å; F735-Y782 HydrophobicContact CE1-CE1 4.33Å; F735-Y782 AromaticContact CE1-CE2 3.88Å; F735-Y782 HydrophobicContact CE1-CE2 3.88Å; F735-Y782 AromaticContact CE1-CG 3.78Å; F735-Y782 HydrophobicContact CE1-CG 3.78Å; F735-V843 HydrophobicContact CE1-CG2 4.28Å; F735-V843 HydrophobicContact CZ-CG2 4.25Å |
| 736 | T | 97.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 147.4 | 173.6 | 61.4 | 0 | 0 | 0 | 0 | 111 | K720 P723 L724 G725 N734 I768 W769 H770 | K720-T736 WeakPolarHBondContact O-CG2 3.5Å; P723-T736 WeakPolarHBondContact O-CG2 3.11Å; P723-T736 PolarHBondContact O-OG1 2.77Å; L724-T736 VanDerWaalsContact C-OG1 3.3Å; L724-T736 WeakPolarHBondContact CA-OG1 3.29Å; G725-T736 PolarHBondContact N-OG1 3.25Å; G725-T736 PolarHBondContact O-N 2.92Å; G725-T736 PolarHBondContact O-OG1 3.17Å; N734-T736 WeakPolarHBondContact ND2-CG2 3.46Å; T736-I768 HydrophobicContact CG2-CG2 4.43Å; T736-W769 CarbonylContact C-O 3.6Å; T736-W769 WeakPolarHBondContact CA-O 3.41Å; T736-H770 HydrophobicContact CG2-CB 3.91Å |
| 737 | L | 98 | Very high | 96.3 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 122.4 | 177 | -172.5 | 69 | 0 | 0 | 0 | 110.1 | V745 W769 Y784 V786 P807 I994 | L737-V745 HydrophobicContact CD2-CG1 3.73Å; L737-V745 HydrophobicContact CD2-CG2 4.3Å; L737-W769 PolarHBondContact N-O 3.1Å; L737-W769 PolarHBondContact O-N 2.9Å; L737-Y784 HydrophobicContact CB-CE2 4.44Å; L737-Y784 HydrophobicContact CD1-CD2 3.93Å; L737-Y784 HydrophobicContact CD1-CE2 3.88Å; L737-Y784 HydrophobicContact CD2-CD1 4.3Å; L737-Y784 HydrophobicContact CD2-CD2 3.97Å; L737-Y784 HydrophobicContact CD2-CE2 4.39Å; L737-Y784 HydrophobicContact CD2-CG 3.91Å; L737-Y784 HydrophobicContact CG-CD2 4.47Å; L737-Y784 HydrophobicContact CG-CE2 4.48Å; L737-V786 HydrophobicContact CD2-CG2 3.94Å; L737-P807 HydrophobicContact CD1-CG 4.32Å; L737-I994 HydrophobicContact CD1-CD1 3.92Å; L737-I994 HydrophobicContact CD1-CG1 4.36Å; L737-I994 HydrophobicContact CD1-CG2 4.07Å; L737-I994 HydrophobicContact CD2-CG1 4.49Å; L737-I994 HydrophobicContact CD2-CG2 4.11Å; L737-I994 HydrophobicContact CG-CG2 4.05Å |
| 738 | F | 97.5 | Very high | 96.4 | Very high | 14 Ų | 14 | 34.1 Ų | 34.1 | 6% | 0.061 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 124.7 | 168.7 | 168.7 | -107.2 | 0 | 0 | 0 | 110.2 | A740 D767 I768 I994 Y999 H1022 A1024 | F738-A740 HydrophobicContact CE2-CB 4.14Å; F738-A740 HydrophobicContact CZ-CB 4.09Å; F738-D767 HydrophobicContact CD2-CB 3.77Å; F738-D767 WeakPolarHBondContact CD2-O 3.38Å; F738-D767 HydrophobicContact CE2-CB 3.5Å; F738-D767 VanDerWaalsContact CE2-CB 3.5Å; F738-I768 HydrophobicContact CB-CD1 3.86Å; F738-I768 HydrophobicContact CD2-CD1 4.47Å; F738-I994 WeakPolarHBondContact O-CG2 3.32Å; F738-Y999 HydrophobicContact CD1-CE1 4.25Å; F738-Y999 AromaticContact CD1-CE2 3.99Å; F738-Y999 HydrophobicContact CD1-CE2 3.99Å; F738-Y999 AromaticContact CD1-CZ 3.64Å; F738-Y999 WeakPolarHBondContact CD1-OH 3.36Å; F738-Y999 HydrophobicContact CE1-CE2 4.3Å; F738-H1022 AromaticContact CZ-CE1 3.83Å; F738-A1024 HydrophobicContact CD1-CB 3.89Å; F738-A1024 HydrophobicContact CD2-CB 3.56Å; F738-A1024 HydrophobicContact CE1-CB 3.61Å; F738-A1024 HydrophobicContact CE2-CB 3.21Å; F738-A1024 HydrophobicContact CG-CB 3.9Å; F738-A1024 HydrophobicContact CZ-CB 3.27Å |
| 739 | S | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -161.1 | 108.9 | 167.5 | -177.8 | 0 | 0 | 0 | 0 | 108.9 | A742 D767 W769 I994 | S739-A742 WeakPolarHBondContact OG-CB 3.42Å; S739-A742 PolarHBondContact OG-N 3.02Å; S739-D767 PolarHBondContact N-O 2.77Å; S739-W769 PolarHBondContact O-NE1 2.79Å; S739-W769 VanDerWaalsContact O-NE1 3.09Å; S739-I994 PolarHBondContact OG-O 2.94Å | ||
| 740 | A | 95.6 | Very high | 96.7 | Very high | 30 Ų | 30 | 29 Ų | 29 | 25% | 0.248 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -75.4 | -30.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F738 D767 D995 | F738-A740 HydrophobicContact CE2-CB 4.14Å; F738-A740 HydrophobicContact CZ-CB 4.09Å; A740-D767 HydrophobicContact CB-CB 3.99Å; A740-D995 PolarHBondContact N-OD2 2.78Å |
| 741 | H | 97.5 | Very high | 96.7 | Very high | 70 Ų | 70 | 29.6 Ų | 29.6 | 32% | 0.324 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -106.8 | 5.4 | -175.8 | -49.3 | 91.2 | 0 | 0 | 0 | 113.8 | P789 H796 F798 D995 | H741-P789 WeakPolarHBondContact O-CD 3.32Å; H741-H796 AromaticContact CD2-CE1 3.48Å; H741-H796 PolarHBondContact CD2-CE1 3.13Å; H741-H796 VanDerWaalsContact CD2-CE1 3.48Å; H741-H796 AromaticContact CG-CE1 3.59Å; H741-H796 AromaticContact NE2-CE1 3.88Å; H741-F798 HydrophobicContact CB-CE2 3.73Å; H741-F798 HydrophobicContact CB-CZ 3.68Å; H741-F798 WeakPolarHBondContact O-CZ 3.5Å; H741-D995 IonicContact CE1-OD1 2.89Å; H741-D995 IonicContact CE1-OD2 3.55Å; H741-D995 IonicContact CG-OD1 3.11Å; H741-D995 IonicContact CG-OD2 3.81Å; H741-D995 PolarHBondContact N-OD2 2.85Å; H741-D995 VanDerWaalsContact ND1-CG 3.29Å; H741-D995 IonicContact ND1-OD1 3.04Å; H741-D995 PolarHBondContact ND1-OD1 3.39Å; H741-D995 IonicContact ND1-OD2 2.64Å; H741-D995 PolarHBondContact ND1-OD2 2.9Å |
| 742 | A | 97.5 | Very high | 96.4 | Very high | 13 Ų | 13 | 27.3 Ų | 27.3 | 11% | 0.107 | 15% | 0.15 | C | C | . | . | trans | -67.5 | 142.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | S739 V745 W769 V786 H787 F798 | S739-A742 WeakPolarHBondContact OG-CB 3.42Å; S739-A742 PolarHBondContact OG-N 3.02Å; A742-V745 HydrophobicContact CB-CG2 4.05Å; A742-W769 HydrophobicContact CB-CZ2 4.03Å; A742-W769 WeakPolarHBondContact O-CZ2 3.44Å; A742-V786 HydrophobicContact CB-CG1 3.61Å; A742-H787 CarbonylContact C-O 3.56Å; A742-H787 WeakPolarHBondContact CA-O 3.44Å; A742-F798 HydrophobicContact CB-CE1 4Å | ||
| 743 | E | 97.6 | Very high | 96.1 | Very high | 144 Ų | 144 | 34.1 Ų | 34.1 | 67% | 0.673 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -96 | -25.4 | 172.3 | -67.1 | 173.5 | -180 | 0 | 0 | 111.6 | W769 H787 | E743-W769 WeakPolarHBondContact O-CH2 3.33Å; E743-H787 PolarHBondContact N-O 3.35Å |
| 744 | R | 97.7 | Very high | 95.7 | Very high | 97 Ų | 97 | 36.6 Ų | 36.6 | 37% | 0.366 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 138.5 | 179.4 | 175.3 | 179.6 | 173.9 | -146.9 | -9.3 | 110.1 | E746 D760 H787 | R744-E746 IonicContact CZ-OE1 3.72Å; R744-E746 IonicContact NH1-OE1 3.54Å; R744-E746 IonicContact NH2-OE1 3.97Å; R744-E746 PolarHBondContact NH2-OE1 3.05Å; R744-D760 IonicContact CZ-OD1 2.78Å; R744-D760 IonicContact CZ-OD2 3.08Å; R744-D760 VanDerWaalsContact NE-CG 3.28Å; R744-D760 IonicContact NE-OD1 2.84Å; R744-D760 PolarHBondContact NE-OD1 2.99Å; R744-D760 IonicContact NE-OD2 3.69Å; R744-D760 PolarHBondContact NE-OD2 3.32Å; R744-D760 VanDerWaalsContact NH2-CG 3.34Å; R744-D760 IonicContact NH2-OD1 3.64Å; R744-D760 PolarHBondContact NH2-OD1 2.87Å; R744-D760 IonicContact NH2-OD2 2.88Å; R744-D760 PolarHBondContact NH2-OD2 3.03Å; R744-D760 VanDerWaalsContact NH2-OD2 3.17Å; R744-H787 HydrophobicContact CB-CB 4.05Å; R744-H787 PolarHBondContact N-O 2.74Å; R744-H787 WeakPolarHBondContact O-CB 3.4Å; R744-H787 PolarHBondContact O-CD2 2.9Å; R744-H787 PolarHBondContact O-N 3.16Å |
| 745 | V | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 125 | 174.7 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | L737 A742 L761 W769 Y784 V786 | L737-V745 HydrophobicContact CD2-CG1 3.73Å; L737-V745 HydrophobicContact CD2-CG2 4.3Å; A742-V745 HydrophobicContact CB-CG2 4.05Å; V745-L761 HydrophobicContact CB-CB 4.48Å; V745-L761 HydrophobicContact CB-CD1 4.08Å; V745-L761 HydrophobicContact CB-CG 4.45Å; V745-L761 HydrophobicContact CG1-CD1 3.6Å; V745-L761 HydrophobicContact CG1-CG 4.18Å; V745-L761 PolarHBondContact O-N 3.02Å; V745-W769 HydrophobicContact CB-CB 4.3Å; V745-W769 HydrophobicContact CB-CD2 4.03Å; V745-W769 HydrophobicContact CB-CE3 4.02Å; V745-W769 HydrophobicContact CB-CG 4.15Å; V745-W769 HydrophobicContact CG2-CB 4.03Å; V745-W769 HydrophobicContact CG2-CD2 3.45Å; V745-W769 VanDerWaalsContact CG2-CD2 3.45Å; V745-W769 HydrophobicContact CG2-CE3 3.9Å; V745-W769 HydrophobicContact CG2-CG 3.48Å; V745-W769 VanDerWaalsContact CG2-CG 3.48Å; V745-Y784 HydrophobicContact CG1-CD1 3.98Å; V745-V786 HydrophobicContact CG2-CG1 4.22Å |
| 746 | E | 97.9 | Very high | 95.4 | Very high | 20 Ų | 20 | 44.1 Ų | 44.1 | 9% | 0.093 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 121.6 | 171.7 | -67.9 | 176.3 | 132.5 | 0 | 0 | 109.8 | R744 Y759 D760 Y784 R785 H787 | R744-E746 IonicContact CZ-OE1 3.72Å; R744-E746 IonicContact NH1-OE1 3.54Å; R744-E746 IonicContact NH2-OE1 3.97Å; R744-E746 PolarHBondContact NH2-OE1 3.05Å; E746-Y759 CarbonylContact C-O 3.53Å; E746-Y759 VanDerWaalsContact CA-O 3.31Å; E746-Y759 WeakPolarHBondContact CA-O 3.48Å; E746-D760 WeakPolarHBondContact CG-OD1 3.3Å; E746-Y784 WeakPolarHBondContact O-CA 3.25Å; E746-R785 HydrophobicContact CB-CB 4.23Å; E746-R785 PolarHBondContact N-O 3.28Å; E746-R785 PolarHBondContact O-N 3.45Å; E746-H787 IonicContact OE2-CD2 2.68Å; E746-H787 IonicContact OE2-CE1 3.62Å; E746-H787 IonicContact OE2-NE2 2.95Å; E746-H787 PolarHBondContact OE2-NE2 3.22Å |
| 747 | L | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 120.4 | 163 | 176 | 69.1 | 0 | 0 | 0 | 109.2 | L716 F735 V749 R758 Y759 L761 Y782 Y784 | L716-L747 HydrophobicContact CD1-CD2 3.76Å; L716-L747 HydrophobicContact CD2-CD2 4.18Å; F735-L747 HydrophobicContact CD1-CD1 3.72Å; F735-L747 HydrophobicContact CD1-CD2 4.32Å; F735-L747 HydrophobicContact CD2-CD2 3.67Å; F735-L747 HydrophobicContact CE1-CD1 3.86Å; F735-L747 HydrophobicContact CE1-CD2 4.37Å; F735-L747 HydrophobicContact CE2-CD2 3.73Å; F735-L747 HydrophobicContact CG-CD1 4.08Å; F735-L747 HydrophobicContact CG-CD2 3.97Å; F735-L747 HydrophobicContact CZ-CD1 4.33Å; F735-L747 HydrophobicContact CZ-CD2 4.09Å; L747-V749 HydrophobicContact CD2-CG1 4.45Å; L747-V749 HydrophobicContact CG-CG1 4.39Å; L747-R758 CarbonylContact O-C 3.52Å; L747-R758 WeakPolarHBondContact O-CA 3.49Å; L747-Y759 PolarHBondContact N-O 3.49Å; L747-Y759 PolarHBondContact O-N 3.5Å; L747-L761 HydrophobicContact CB-CD2 4.12Å; L747-Y782 HydrophobicContact CD1-CD2 3.84Å; L747-Y782 HydrophobicContact CD1-CG 4.42Å; L747-Y784 HydrophobicContact CB-CE1 4.37Å; L747-Y784 HydrophobicContact CD1-CD1 4.19Å; L747-Y784 HydrophobicContact CD1-CE1 3.63Å |
| 748 | C | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 115.5 | 174.7 | -63.1 | 0 | 0 | 0 | 0 | 109.6 | F750 E756 H757 Y782 G783 L803 | C748-F750 HydrophobicContact CB-CE2 4.24Å; C748-F750 HydrophobicContact CB-CZ 4.48Å; C748-E756 HydrophobicContact CB-CG 4.1Å; C748-E756 PolarHBondContact SG-OE1 3.5Å; C748-H757 CarbonylContact C-O 3.57Å; C748-H757 WeakPolarHBondContact CA-O 3.33Å; C748-Y782 CarbonylContact O-C 3.28Å; C748-Y782 WeakPolarHBondContact O-CA 3.33Å; C748-Y782 WeakPolarHBondContact O-CB 3.42Å; C748-G783 PolarHBondContact N-O 2.88Å; C748-G783 PolarHBondContact O-N 3.47Å; C748-L803 HydrophobicContact CB-CD1 3.63Å |
| 749 | V | 96.8 | Very high | 95.1 | Very high | 8 Ų | 8 | 54.9 Ų | 54.9 | 5% | 0.048 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 144.4 | 174.7 | -82.9 | 0 | 0 | 0 | 0 | 111 | L747 H757 Y759 L773 L780 R781 | L747-V749 HydrophobicContact CD2-CG1 4.45Å; L747-V749 HydrophobicContact CG-CG1 4.39Å; V749-H757 HydrophobicContact CG2-CB 4.23Å; V749-H757 PolarHBondContact N-O 3.43Å; V749-H757 PolarHBondContact O-N 3.45Å; V749-Y759 HydrophobicContact CG2-CD2 3.81Å; V749-Y759 HydrophobicContact CG2-CE2 3.35Å; V749-L773 HydrophobicContact CG1-CD2 4.48Å; V749-L780 HydrophobicContact CB-CD1 4.26Å; V749-L780 HydrophobicContact CG1-CD1 4.22Å; V749-L780 HydrophobicContact CG1-CD2 3.78Å; V749-L780 HydrophobicContact CG1-CG 4.03Å; V749-R781 WeakPolarHBondContact CA-O 2.99Å |
| 750 | F | 96.5 | Very high | 95 | Very high | 13 Ų | 13 | 58.6 Ų | 58.6 | 6% | 0.057 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 128.2 | -173.8 | -61.5 | -96.6 | 0 | 0 | 0 | 110.7 | C748 Q755 E756 R781 L803 K840 | C748-F750 HydrophobicContact CB-CE2 4.24Å; C748-F750 HydrophobicContact CB-CZ 4.48Å; F750-Q755 WeakPolarHBondContact CA-O 3.44Å; F750-E756 HydrophobicContact CD1-CB 4.12Å; F750-E756 HydrophobicContact CE1-CB 3.73Å; F750-E756 HydrophobicContact CE1-CG 3.91Å; F750-E756 HydrophobicContact CZ-CB 4.33Å; F750-E756 HydrophobicContact CZ-CG 3.98Å; F750-R781 HydrophobicContact CB-CB 4.02Å; F750-R781 HydrophobicContact CD2-CB 4.47Å; F750-R781 PolarHBondContact N-O 3.44Å; F750-L803 HydrophobicContact CE2-CD1 4.21Å; F750-L803 HydrophobicContact CE2-CD2 3.81Å; F750-L803 HydrophobicContact CZ-CD1 4.05Å; F750-L803 HydrophobicContact CZ-CD2 3.5Å; F750-L803 VanDerWaalsContact CZ-CD2 3.5Å; F750-L803 HydrophobicContact CZ-CG 4.44Å; F750-K840 HydrophobicContact CD2-CG 3.92Å; F750-K840 HydrophobicContact CE2-CG 3.95Å; F750-K840 HydrophobicContact CG-CG 4.45Å; F750-K840 HydrophobicContact CZ-CG 4.49Å |
| 751 | D | 90.8 | Very high | 95 | Very high | 48 Ų | 48 | 57.6 Ų | 57.6 | 26% | 0.257 | 30% | 0.3 | S | S | . | . | trans | -74.8 | 178.2 | 175.7 | 83 | -7.1 | 0 | 0 | 0 | 112.1 | N753 G754 Q755 | D751-N753 PolarHBondContact O-N 2.97Å; D751-N753 VanDerWaalsContact O-N 3.16Å; D751-N753 WeakPolarHBondContact OD1-CA 3.19Å; D751-N753 WeakPolarHBondContact OD1-CB 3.46Å; D751-N753 PolarHBondContact OD1-N 3.22Å; D751-N753 PolarHBondContact OD2-ND2 3.27Å; D751-G754 PolarHBondContact O-N 3.05Å; D751-G754 PolarHBondContact OD1-N 2.92Å; D751-Q755 PolarHBondContact N-O 3.44Å; D751-Q755 WeakPolarHBondContact OD1-CB 3.45Å; D751-Q755 PolarHBondContact OD1-N 3.03Å | ||
| 752 | A | 85.7 | Confident | 94.9 | Very high | 102 Ų | 102 | 57.1 Ų | 57.1 | 84% | 0.843 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -17.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 753 | N | 88.9 | Confident | 94.6 | Very high | 143 Ų | 143 | 56.8 Ų | 56.8 | 77% | 0.765 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -1 | 175.2 | -54.9 | -56.6 | 0 | 0 | 0 | 112.3 | D751 Q755 | D751-N753 PolarHBondContact O-N 2.97Å; D751-N753 VanDerWaalsContact O-N 3.16Å; D751-N753 WeakPolarHBondContact OD1-CA 3.19Å; D751-N753 WeakPolarHBondContact OD1-CB 3.46Å; D751-N753 PolarHBondContact OD1-N 3.22Å; D751-N753 PolarHBondContact OD2-ND2 3.27Å; N753-Q755 VanDerWaalsContact C-N 3.34Å |
| 754 | G | 86.8 | Confident | 94.3 | Very high | 51 Ų | 51 | 54.5 Ų | 54.5 | 53% | 0.526 | 29% | 0.29 | S | S | . | . | trans | 79 | 13.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114 | D751 | D751-G754 PolarHBondContact O-N 3.05Å; D751-G754 PolarHBondContact OD1-N 2.92Å | ||
| 755 | Q | 93.4 | Very high | 94 | Very high | 127 Ų | 127 | 52.3 Ų | 52.3 | 59% | 0.593 | 29% | 0.29 | S | S | * | . | trans | -77.8 | 130.7 | 176.9 | -170.7 | 152.4 | 12.7 | 0 | 0 | 110.6 | F750 D751 N753 | F750-Q755 WeakPolarHBondContact CA-O 3.44Å; D751-Q755 PolarHBondContact N-O 3.44Å; D751-Q755 WeakPolarHBondContact OD1-CB 3.45Å; D751-Q755 PolarHBondContact OD1-N 3.03Å; N753-Q755 VanDerWaalsContact C-N 3.34Å | ||
| 756 | E | 96.1 | Very high | 93.6 | Very high | 43 Ų | 43 | 55.2 Ų | 55.2 | 20% | 0.201 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 131 | -178 | -172.6 | -172.6 | -161.8 | 0 | 0 | 111.2 | C748 F750 R758 R785 | C748-E756 HydrophobicContact CB-CG 4.1Å; C748-E756 PolarHBondContact SG-OE1 3.5Å; F750-E756 HydrophobicContact CD1-CB 4.12Å; F750-E756 HydrophobicContact CE1-CB 3.73Å; F750-E756 HydrophobicContact CE1-CG 3.91Å; F750-E756 HydrophobicContact CZ-CB 4.33Å; F750-E756 HydrophobicContact CZ-CG 3.98Å; E756-R758 HydrophobicContact CG-CG 4.06Å; E756-R758 IonicContact OE1-CZ 3.68Å; E756-R758 IonicContact OE1-NE 3.03Å; E756-R758 PolarHBondContact OE1-NE 3Å; E756-R758 VanDerWaalsContact OE1-NE 3.11Å; E756-R758 IonicContact OE1-NH2 3.95Å; E756-R758 IonicContact OE2-CZ 2.76Å; E756-R758 VanDerWaalsContact OE2-CZ 3.31Å; E756-R758 IonicContact OE2-NE 3.3Å; E756-R758 PolarHBondContact OE2-NE 2.94Å; E756-R758 IonicContact OE2-NH2 3.75Å; E756-R758 PolarHBondContact OE2-NH2 3.42Å; E756-R785 IonicContact OE1-CZ 2.76Å; E756-R785 IonicContact OE1-NE 3.68Å; E756-R785 PolarHBondContact OE1-NE 2.82Å; E756-R785 IonicContact OE1-NH2 2.72Å; E756-R785 PolarHBondContact OE1-NH2 2.97Å; E756-R785 VanDerWaalsContact OE1-NH2 3.08Å; E756-R785 IonicContact OE2-NH2 3.33Å; E756-R785 PolarHBondContact OE2-NH2 3.18Å |
| 757 | H | 95.1 | Very high | 93.4 | Very high | 80 Ų | 80 | 57.9 Ų | 57.9 | 37% | 0.37 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 128.7 | 168.7 | -60.4 | -86 | 0 | 0 | 0 | 109.1 | C748 V749 Y759 | C748-H757 CarbonylContact C-O 3.57Å; C748-H757 WeakPolarHBondContact CA-O 3.33Å; V749-H757 HydrophobicContact CG2-CB 4.23Å; V749-H757 PolarHBondContact N-O 3.43Å; V749-H757 PolarHBondContact O-N 3.45Å; H757-Y759 HydrophobicContact CB-CE2 3.8Å |
| 758 | R | 96 | Very high | 93.4 | Very high | 117 Ų | 117 | 59.3 Ų | 59.3 | 44% | 0.442 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 138.5 | -173.4 | -52.8 | -174.8 | -171.6 | 175.6 | 1.6 | 111 | L747 E756 | L747-R758 CarbonylContact O-C 3.52Å; L747-R758 WeakPolarHBondContact O-CA 3.49Å; E756-R758 HydrophobicContact CG-CG 4.06Å; E756-R758 IonicContact OE1-CZ 3.68Å; E756-R758 IonicContact OE1-NE 3.03Å; E756-R758 PolarHBondContact OE1-NE 3Å; E756-R758 VanDerWaalsContact OE1-NE 3.11Å; E756-R758 IonicContact OE1-NH2 3.95Å; E756-R758 IonicContact OE2-CZ 2.76Å; E756-R758 VanDerWaalsContact OE2-CZ 3.31Å; E756-R758 IonicContact OE2-NE 3.3Å; E756-R758 PolarHBondContact OE2-NE 2.94Å; E756-R758 IonicContact OE2-NH2 3.75Å; E756-R758 PolarHBondContact OE2-NH2 3.42Å |
| 759 | Y | 95.2 | Very high | 93.4 | Very high | 47 Ų | 47 | 60.7 Ų | 60.7 | 18% | 0.184 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 135.3 | -179.4 | -56.3 | -85.5 | 0 | 0 | 0 | 109.8 | T714 L716 E746 L747 V749 H757 | T714-Y759 VanDerWaalsContact O-CD1 3.26Å; T714-Y759 WeakPolarHBondContact O-CD1 3.43Å; T714-Y759 WeakPolarHBondContact O-CE1 3.44Å; L716-Y759 HydrophobicContact CD1-CD1 4.14Å; L716-Y759 HydrophobicContact CD1-CD2 3.99Å; L716-Y759 HydrophobicContact CD1-CG 3.54Å; E746-Y759 CarbonylContact C-O 3.53Å; E746-Y759 VanDerWaalsContact CA-O 3.31Å; E746-Y759 WeakPolarHBondContact CA-O 3.48Å; L747-Y759 PolarHBondContact N-O 3.49Å; L747-Y759 PolarHBondContact O-N 3.5Å; V749-Y759 HydrophobicContact CG2-CD2 3.81Å; V749-Y759 HydrophobicContact CG2-CE2 3.35Å; H757-Y759 HydrophobicContact CB-CE2 3.8Å |
| 760 | D | 96.2 | Very high | 93.4 | Very high | 78 Ų | 78 | 60.6 Ų | 60.6 | 42% | 0.417 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 136.6 | 171 | -67.8 | -31.2 | 0 | 0 | 0 | 110.3 | R744 E746 P762 | R744-D760 IonicContact CZ-OD1 2.78Å; R744-D760 IonicContact CZ-OD2 3.08Å; R744-D760 VanDerWaalsContact NE-CG 3.28Å; R744-D760 IonicContact NE-OD1 2.84Å; R744-D760 PolarHBondContact NE-OD1 2.99Å; R744-D760 IonicContact NE-OD2 3.69Å; R744-D760 PolarHBondContact NE-OD2 3.32Å; R744-D760 VanDerWaalsContact NH2-CG 3.34Å; R744-D760 IonicContact NH2-OD1 3.64Å; R744-D760 PolarHBondContact NH2-OD1 2.87Å; R744-D760 IonicContact NH2-OD2 2.88Å; R744-D760 PolarHBondContact NH2-OD2 3.03Å; R744-D760 VanDerWaalsContact NH2-OD2 3.17Å; E746-D760 WeakPolarHBondContact CG-OD1 3.3Å; D760-P762 VanDerWaalsContact O-CD 3.29Å; D760-P762 WeakPolarHBondContact O-CD 3.39Å |
| 761 | L | 95.8 | Very high | 93.4 | Very high | 8 Ų | 8 | 60 Ų | 60 | 4% | 0.042 | 34% | 0.344 | C | S | . | . | trans | -71.3 | 117.3 | 167.6 | -71.2 | -176.6 | 0 | 0 | 0 | 108.8 | L716 F735 V745 L747 W769 Y784 | L716-L761 HydrophobicContact CD2-CD2 4.2Å; F735-L761 HydrophobicContact CB-CD2 4.4Å; V745-L761 HydrophobicContact CB-CB 4.48Å; V745-L761 HydrophobicContact CB-CD1 4.08Å; V745-L761 HydrophobicContact CB-CG 4.45Å; V745-L761 HydrophobicContact CG1-CD1 3.6Å; V745-L761 HydrophobicContact CG1-CG 4.18Å; V745-L761 PolarHBondContact O-N 3.02Å; L747-L761 HydrophobicContact CB-CD2 4.12Å; L761-W769 HydrophobicContact CB-CB 4.45Å; L761-W769 HydrophobicContact CD1-CB 3.79Å; L761-Y784 HydrophobicContact CD1-CE1 4.23Å | ||
| 762 | P | 94.8 | Very high | 93.7 | Very high | 61 Ų | 61 | 59.6 Ų | 59.6 | 40% | 0.396 | 34% | 0.339 | S | S | . | . | trans | -85.1 | -18.5 | -171.1 | 33.8 | -37 | 0 | 0 | 0 | 113.7 | L716 A717 I718 D760 H770 | L716-P762 HydrophobicContact CB-CG 4.47Å; A717-P762 WeakPolarHBondContact O-CG 3.1Å; I718-P762 HydrophobicContact CG1-CB 4Å; I718-P762 HydrophobicContact CG1-CG 3.96Å; D760-P762 VanDerWaalsContact O-CD 3.29Å; D760-P762 WeakPolarHBondContact O-CD 3.39Å; P762-H770 WeakPolarHBondContact CD-O 3.28Å | ||
| 763 | G | 90.7 | Very high | 94.2 | Very high | 5 Ų | 5 | 55.9 Ų | 55.9 | 5% | 0.052 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 139.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | W769 H770 | G763-W769 CarbonylContact O-C 3.58Å; G763-W769 WeakPolarHBondContact O-CA 3.35Å; G763-H770 WeakPolarHBondContact CA-O 3.24Å; G763-H770 PolarHBondContact N-O 2.9Å; G763-H770 PolarHBondContact O-N 2.82Å |
| 764 | H | 92.7 | Very high | 94.3 | Very high | 96 Ų | 96 | 52.1 Ų | 52.1 | 44% | 0.444 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 114.3 | 172.1 | -170.7 | -115.5 | 0 | 0 | 0 | 108.4 | G766 I768 W769 | H764-G766 PolarHBondContact CE1-O 3.22Å; H764-G766 PolarHBondContact ND1-O 3.41Å; H764-G766 PolarHBondContact NE2-O 2.9Å; H764-I768 WeakPolarHBondContact CA-O 3.32Å; H764-W769 AromaticContact CD2-CD1 3.71Å; H764-W769 AromaticContact CD2-CD2 3.58Å; H764-W769 AromaticContact CD2-CE2 3.37Å; H764-W769 AromaticContact CD2-CG 3.79Å; H764-W769 AromaticContact CD2-CZ2 3.83Å; H764-W769 AromaticContact CD2-NE1 3.43Å; H764-W769 PolarHBondContact CD2-NE1 3.18Å; H764-W769 AromaticContact NE2-CD1 3.97Å; H764-W769 AromaticContact NE2-CE2 3.62Å; H764-W769 AromaticContact NE2-CZ2 3.94Å; H764-W769 AromaticContact NE2-NE1 3.39Å; H764-W769 PolarHBondContact NE2-NE1 2.88Å |
| 765 | S | 91.3 | Very high | 94.5 | Very high | 51 Ų | 51 | 55.7 Ų | 55.7 | 36% | 0.357 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 110.2 | -177.3 | -60.2 | 0 | 0 | 0 | 0 | 109.6 | D767 I768 H770 | S765-D767 PolarHBondContact O-N 3Å; S765-I768 PolarHBondContact N-O 3.31Å; S765-I768 PolarHBondContact O-N 3.09Å; S765-H770 PolarHBondContact OG-NE2 3.02Å |
| 766 | G | 89.2 | Confident | 94.4 | Very high | 62 Ų | 62 | 50.1 Ų | 50.1 | 64% | 0.639 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | -127.3 | -162 | 0 | 0 | 0 | 0 | 0 | 109.1 | H764 | H764-G766 PolarHBondContact CE1-O 3.22Å; H764-G766 PolarHBondContact ND1-O 3.41Å; H764-G766 PolarHBondContact NE2-O 2.9Å |
| 767 | D | 94.7 | Very high | 94.3 | Very high | 75 Ų | 75 | 54.6 Ų | 54.6 | 40% | 0.401 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 15.3 | 176.6 | -59.7 | -32 | 0 | 0 | 0 | 112.7 | F738 S739 A740 S765 | F738-D767 HydrophobicContact CD2-CB 3.77Å; F738-D767 WeakPolarHBondContact CD2-O 3.38Å; F738-D767 HydrophobicContact CE2-CB 3.5Å; F738-D767 VanDerWaalsContact CE2-CB 3.5Å; S739-D767 PolarHBondContact N-O 2.77Å; A740-D767 HydrophobicContact CB-CB 3.99Å; S765-D767 PolarHBondContact O-N 3Å |
| 768 | I | 96.5 | Very high | 94.3 | Very high | 31 Ų | 31 | 53.3 Ų | 53.3 | 16% | 0.159 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 117.5 | 179 | -57.5 | -79.3 | 0 | 0 | 0 | 109.5 | P721 L724 T736 F738 H764 S765 H770 | P721-I768 HydrophobicContact CB-CB 4.22Å; P721-I768 HydrophobicContact CB-CG2 3.94Å; L724-I768 HydrophobicContact CD2-CD1 3.69Å; T736-I768 HydrophobicContact CG2-CG2 4.43Å; F738-I768 HydrophobicContact CB-CD1 3.86Å; F738-I768 HydrophobicContact CD2-CD1 4.47Å; H764-I768 WeakPolarHBondContact CA-O 3.32Å; S765-I768 PolarHBondContact N-O 3.31Å; S765-I768 PolarHBondContact O-N 3.09Å; I768-H770 PolarHBondContact O-CD2 2.87Å |
| 769 | W | 97.9 | Very high | 94.1 | Very high | 28 Ų | 28 | 50 Ų | 50 | 11% | 0.106 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 136.6 | 168.5 | -62.7 | 76.5 | 0 | 0 | 0 | 109.7 | T736 L737 S739 A742 E743 V745 L761 G763 H764 | T736-W769 CarbonylContact C-O 3.6Å; T736-W769 WeakPolarHBondContact CA-O 3.41Å; L737-W769 PolarHBondContact N-O 3.1Å; L737-W769 PolarHBondContact O-N 2.9Å; S739-W769 PolarHBondContact O-NE1 2.79Å; S739-W769 VanDerWaalsContact O-NE1 3.09Å; A742-W769 HydrophobicContact CB-CZ2 4.03Å; A742-W769 WeakPolarHBondContact O-CZ2 3.44Å; E743-W769 WeakPolarHBondContact O-CH2 3.33Å; V745-W769 HydrophobicContact CB-CB 4.3Å; V745-W769 HydrophobicContact CB-CD2 4.03Å; V745-W769 HydrophobicContact CB-CE3 4.02Å; V745-W769 HydrophobicContact CB-CG 4.15Å; V745-W769 HydrophobicContact CG2-CB 4.03Å; V745-W769 HydrophobicContact CG2-CD2 3.45Å; V745-W769 VanDerWaalsContact CG2-CD2 3.45Å; V745-W769 HydrophobicContact CG2-CE3 3.9Å; V745-W769 HydrophobicContact CG2-CG 3.48Å; V745-W769 VanDerWaalsContact CG2-CG 3.48Å; L761-W769 HydrophobicContact CB-CB 4.45Å; L761-W769 HydrophobicContact CD1-CB 3.79Å; G763-W769 CarbonylContact O-C 3.58Å; G763-W769 WeakPolarHBondContact O-CA 3.35Å; H764-W769 AromaticContact CD2-CD1 3.71Å; H764-W769 AromaticContact CD2-CD2 3.58Å; H764-W769 AromaticContact CD2-CE2 3.37Å; H764-W769 AromaticContact CD2-CG 3.79Å; H764-W769 AromaticContact CD2-CZ2 3.83Å; H764-W769 AromaticContact CD2-NE1 3.43Å; H764-W769 PolarHBondContact CD2-NE1 3.18Å; H764-W769 AromaticContact NE2-CD1 3.97Å; H764-W769 AromaticContact NE2-CE2 3.62Å; H764-W769 AromaticContact NE2-CZ2 3.94Å; H764-W769 AromaticContact NE2-NE1 3.39Å; H764-W769 PolarHBondContact NE2-NE1 2.88Å |
| 770 | H | 97.8 | Very high | 94.2 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.028 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 157.1 | -177.2 | 61.2 | 87.2 | 0 | 0 | 0 | 114.6 | G719 F735 T736 P762 G763 S765 I768 | G719-H770 PolarHBondContact O-CE1 2.77Å; G719-H770 VanDerWaalsContact O-CE1 3.26Å; G719-H770 PolarHBondContact O-ND1 2.97Å; G719-H770 VanDerWaalsContact O-ND1 3.08Å; F735-H770 WeakPolarHBondContact O-CA 3.49Å; F735-H770 WeakPolarHBondContact O-CB 3.49Å; T736-H770 HydrophobicContact CG2-CB 3.91Å; P762-H770 WeakPolarHBondContact CD-O 3.28Å; G763-H770 WeakPolarHBondContact CA-O 3.24Å; G763-H770 PolarHBondContact N-O 2.9Å; G763-H770 PolarHBondContact O-N 2.82Å; S765-H770 PolarHBondContact OG-NE2 3.02Å; I768-H770 PolarHBondContact O-CD2 2.87Å |
| 771 | G | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166 | 152.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L716 A717 F735 | L716-G771 VanDerWaalsContact CD2-C 3.48Å; A717-G771 CarbonylContact O-C 3.6Å; A717-G771 WeakPolarHBondContact O-CA 3.38Å; F735-G771 PolarHBondContact N-O 2.96Å; F735-G771 PolarHBondContact O-N 3.42Å |
| 772 | Y | 97 | Very high | 94.3 | Very high | 41 Ų | 41 | 50.6 Ų | 50.6 | 16% | 0.161 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 128.9 | 176 | -170.2 | -101.2 | 0 | 0 | 0 | 111.1 | A717 D729 G732 N734 P774 | A717-Y772 PolarHBondContact N-O 3.35Å; A717-Y772 PolarHBondContact O-N 2.73Å; D729-Y772 PolarHBondContact OD1-OH 3.46Å; D729-Y772 VanDerWaalsContact OD1-OH 3.06Å; D729-Y772 WeakPolarHBondContact OD2-CE2 3.29Å; D729-Y772 PolarHBondContact OD2-OH 3.39Å; G732-Y772 WeakPolarHBondContact CA-OH 3.44Å; G732-Y772 PolarHBondContact N-OH 2.97Å; N734-Y772 HydrophobicContact CB-CD2 4.04Å; Y772-P774 HydrophobicContact CD1-CG 4Å; Y772-P774 HydrophobicContact CE1-CB 4.25Å; Y772-P774 HydrophobicContact CE1-CG 4.18Å; Y772-P774 WeakPolarHBondContact O-CD 3.23Å |
| 773 | L | 95.1 | Very high | 94.5 | Very high | 24 Ų | 24 | 47.7 Ų | 47.7 | 13% | 0.126 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 101.7 | 172.7 | -168.7 | 62.1 | 0 | 0 | 0 | 109 | L716 G732 V733 F735 V749 A776 L780 | L716-L773 HydrophobicContact CD1-CD1 3.98Å; L716-L773 HydrophobicContact CD2-CB 4.49Å; L716-L773 HydrophobicContact CG-CB 4.38Å; L716-L773 HydrophobicContact CG-CD1 4.18Å; G732-L773 WeakPolarHBondContact CA-O 3.37Å; V733-L773 PolarHBondContact N-O 2.89Å; V733-L773 PolarHBondContact O-N 3.38Å; F735-L773 HydrophobicContact CE2-CB 3.9Å; F735-L773 HydrophobicContact CE2-CD2 4.48Å; V749-L773 HydrophobicContact CG1-CD2 4.48Å; L773-A776 HydrophobicContact CB-CB 4.13Å; L773-A776 HydrophobicContact CD2-CB 3.95Å; L773-A776 HydrophobicContact CG-CB 3.99Å; L773-A776 WeakPolarHBondContact O-CB 3.18Å; L773-L780 HydrophobicContact CD2-CD2 4.13Å |
| 774 | P | 92.3 | Very high | 94.9 | Very high | 64 Ų | 64 | 47.5 Ų | 47.5 | 42% | 0.416 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 150.3 | 176.4 | -16.8 | 28.5 | 0 | 0 | 0 | 111 | Y772 A776 | Y772-P774 HydrophobicContact CD1-CG 4Å; Y772-P774 HydrophobicContact CE1-CB 4.25Å; Y772-P774 HydrophobicContact CE1-CG 4.18Å; Y772-P774 WeakPolarHBondContact O-CD 3.23Å; P774-A776 PolarHBondContact O-N 3.27Å |
| 775 | D | 90 | Very high | 95.1 | Very high | 126 Ų | 126 | 43 Ų | 43 | 67% | 0.674 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63 | -2 | 176.3 | -56.3 | -54.1 | 0 | 0 | 0 | 115.9 | Q731 | Q731-D775 WeakPolarHBondContact O-CA 3.3Å; Q731-D775 PolarHBondContact O-N 3.33Å |
| 776 | A | 92.4 | Very high | 95.5 | Very high | 9 Ų | 9 | 40.6 Ų | 40.6 | 7% | 0.074 | 23% | 0.227 | C | C | . | . | trans | -60.1 | 139.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y728 V733 L773 P774 L780 | Y728-A776 WeakPolarHBondContact CE2-O 3.16Å; V733-A776 HydrophobicContact CB-CB 3.98Å; V733-A776 HydrophobicContact CG2-CB 3.52Å; L773-A776 HydrophobicContact CB-CB 4.13Å; L773-A776 HydrophobicContact CD2-CB 3.95Å; L773-A776 HydrophobicContact CG-CB 3.99Å; L773-A776 WeakPolarHBondContact O-CB 3.18Å; P774-A776 PolarHBondContact O-N 3.27Å; A776-L780 HydrophobicContact CB-CD2 3.88Å | ||
| 777 | R | 93.4 | Very high | 95.9 | Very high | 137 Ų | 137 | 39.8 Ų | 39.8 | 52% | 0.517 | 21% | 0.206 | S | C | . | . | trans | -119.9 | 156.2 | -175.5 | -62.4 | -68.5 | -177.7 | -160.6 | -7.5 | 110.9 | Y728 L780 | Y728-R777 PolarHBondContact OH-NH1 2.52Å; R777-L780 VanDerWaalsContact O-CB 3.31Å; R777-L780 WeakPolarHBondContact O-CB 3.28Å; R777-L780 PolarHBondContact O-N 2.99Å | ||
| 778 | P | 93.9 | Very high | 96 | Very high | 54 Ų | 54 | 37.1 Ų | 37.1 | 35% | 0.351 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 145.3 | 165.8 | -26 | 35.4 | 0 | 0 | 0 | 112 | Y728 V843 V845 | Y728-P778 HydrophobicContact CD1-CG 3.69Å; Y728-P778 HydrophobicContact CD2-CG 4.34Å; Y728-P778 HydrophobicContact CE1-CG 3.92Å; Y728-P778 HydrophobicContact CG-CG 3.9Å; P778-V843 CarbonylContact C-O 3.58Å; P778-V843 VanDerWaalsContact CA-O 3.31Å; P778-V843 WeakPolarHBondContact CA-O 3.49Å; P778-V845 HydrophobicContact CG-CB 4.27Å |
| 779 | G | 93.5 | Very high | 96 | Very high | 47 Ų | 47 | 36.9 Ų | 36.9 | 49% | 0.485 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.2 | -10 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | R781 V843 | G779-R781 PolarHBondContact O-N 3.45Å; G779-V843 PolarHBondContact N-O 3.22Å |
| 780 | L | 95.8 | Very high | 95.9 | Very high | 42 Ų | 42 | 37.9 Ų | 37.9 | 22% | 0.22 | 20% | 0.2 | C | C | . | . | trans | -64 | 128.5 | 173.6 | -179.7 | 64 | 0 | 0 | 0 | 110.7 | V749 L773 A776 R777 V842 V843 | V749-L780 HydrophobicContact CB-CD1 4.26Å; V749-L780 HydrophobicContact CG1-CD1 4.22Å; V749-L780 HydrophobicContact CG1-CD2 3.78Å; V749-L780 HydrophobicContact CG1-CG 4.03Å; L773-L780 HydrophobicContact CD2-CD2 4.13Å; A776-L780 HydrophobicContact CB-CD2 3.88Å; R777-L780 VanDerWaalsContact O-CB 3.31Å; R777-L780 WeakPolarHBondContact O-CB 3.28Å; R777-L780 PolarHBondContact O-N 2.99Å; L780-V842 WeakPolarHBondContact O-CA 3.05Å; L780-V843 HydrophobicContact CB-CB 4.36Å; L780-V843 HydrophobicContact CB-CG2 4.12Å; L780-V843 PolarHBondContact O-N 3.46Å | ||
| 781 | R | 97.7 | Very high | 95.8 | Very high | 100 Ų | 100 | 41.7 Ų | 41.7 | 38% | 0.377 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 135.4 | 175.8 | -71.5 | 174.2 | 180 | 92.4 | 3.8 | 110.7 | V749 F750 G779 D813 K840 C841 V842 | V749-R781 WeakPolarHBondContact CA-O 2.99Å; F750-R781 HydrophobicContact CB-CB 4.02Å; F750-R781 HydrophobicContact CD2-CB 4.47Å; F750-R781 PolarHBondContact N-O 3.44Å; G779-R781 PolarHBondContact O-N 3.45Å; R781-D813 IonicContact CZ-OD2 3.44Å; R781-D813 VanDerWaalsContact CZ-OD2 3.23Å; R781-D813 IonicContact NE-OD2 3.31Å; R781-D813 PolarHBondContact NE-OD2 3.1Å; R781-D813 IonicContact NH2-OD2 2.87Å; R781-D813 PolarHBondContact NH2-OD2 3.49Å; R781-K840 HydrophobicContact CB-CB 4.16Å; R781-K840 HydrophobicContact CG-CB 4.44Å; R781-C841 CarbonylContact C-O 3.58Å; R781-C841 VanDerWaalsContact CA-O 3.24Å; R781-C841 WeakPolarHBondContact CA-O 3.39Å; R781-V842 HydrophobicContact CG-CG2 4.41Å |
| 782 | Y | 98 | Very high | 95.6 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 171 | -179.3 | 77 | -75.8 | 0 | 0 | 0 | 113.7 | A726 F735 L747 C748 Y784 D806 C841 V843 | A726-Y782 HydrophobicContact CB-CE1 3.84Å; A726-Y782 HydrophobicContact CB-CE2 4.12Å; A726-Y782 VanDerWaalsContact CB-CZ 3.47Å; A726-Y782 VanDerWaalsContact CB-OH 3.22Å; A726-Y782 WeakPolarHBondContact CB-OH 3.35Å; F735-Y782 AromaticContact CD1-CD2 3.93Å; F735-Y782 HydrophobicContact CD1-CD2 3.93Å; F735-Y782 AromaticContact CD1-CE2 3.9Å; F735-Y782 HydrophobicContact CD1-CE2 3.9Å; F735-Y782 HydrophobicContact CE1-CD1 4.12Å; F735-Y782 AromaticContact CE1-CD2 3.64Å; F735-Y782 HydrophobicContact CE1-CD2 3.64Å; F735-Y782 HydrophobicContact CE1-CE1 4.33Å; F735-Y782 AromaticContact CE1-CE2 3.88Å; F735-Y782 HydrophobicContact CE1-CE2 3.88Å; F735-Y782 AromaticContact CE1-CG 3.78Å; F735-Y782 HydrophobicContact CE1-CG 3.78Å; L747-Y782 HydrophobicContact CD1-CD2 3.84Å; L747-Y782 HydrophobicContact CD1-CG 4.42Å; C748-Y782 CarbonylContact O-C 3.28Å; C748-Y782 WeakPolarHBondContact O-CA 3.33Å; C748-Y782 WeakPolarHBondContact O-CB 3.42Å; Y782-Y784 HydrophobicContact CE2-CE2 4.09Å; Y782-D806 HydrophobicContact CE2-CB 3.73Å; Y782-D806 WeakPolarHBondContact CE2-OD2 3.25Å; Y782-D806 WeakPolarHBondContact OH-CB 3.32Å; Y782-D806 PolarHBondContact OH-OD2 3.34Å; Y782-C841 HydrophobicContact CD1-CB 3.6Å; Y782-C841 WeakPolarHBondContact CD1-O 3.29Å; Y782-C841 HydrophobicContact CD2-CB 4.27Å; Y782-C841 HydrophobicContact CE1-CB 3.22Å; Y782-C841 HydrophobicContact CE2-CB 3.96Å; Y782-C841 HydrophobicContact CG-CB 4.1Å; Y782-C841 VanDerWaalsContact CZ-CB 3.4Å; Y782-C841 PolarHBondContact N-O 2.73Å; Y782-C841 WeakPolarHBondContact O-CB 3.24Å; Y782-C841 PolarHBondContact O-N 3.45Å; Y782-V843 HydrophobicContact CD1-CG2 3.9Å; Y782-V843 HydrophobicContact CE1-CG2 3.96Å |
| 783 | G | 98.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.5 | -175 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | C748 L804 | C748-G783 PolarHBondContact N-O 2.88Å; C748-G783 PolarHBondContact O-N 3.47Å; G783-L804 CarbonylContact C-O 3.2Å; G783-L804 WeakPolarHBondContact CA-O 3.41Å |
| 784 | Y | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 149 | -178.4 | -61.1 | -68.5 | 0 | 0 | 0 | 112.6 | L737 V745 E746 L747 L761 Y782 L804 D806 | L737-Y784 HydrophobicContact CB-CE2 4.44Å; L737-Y784 HydrophobicContact CD1-CD2 3.93Å; L737-Y784 HydrophobicContact CD1-CE2 3.88Å; L737-Y784 HydrophobicContact CD2-CD1 4.3Å; L737-Y784 HydrophobicContact CD2-CD2 3.97Å; L737-Y784 HydrophobicContact CD2-CE2 4.39Å; L737-Y784 HydrophobicContact CD2-CG 3.91Å; L737-Y784 HydrophobicContact CG-CD2 4.47Å; L737-Y784 HydrophobicContact CG-CE2 4.48Å; V745-Y784 HydrophobicContact CG1-CD1 3.98Å; E746-Y784 WeakPolarHBondContact O-CA 3.25Å; L747-Y784 HydrophobicContact CB-CE1 4.37Å; L747-Y784 HydrophobicContact CD1-CD1 4.19Å; L747-Y784 HydrophobicContact CD1-CE1 3.63Å; L761-Y784 HydrophobicContact CD1-CE1 4.23Å; Y782-Y784 HydrophobicContact CE2-CE2 4.09Å; Y784-L804 PolarHBondContact N-O 3.38Å; Y784-L804 PolarHBondContact O-N 2.91Å; Y784-D806 HydrophobicContact CD2-CB 4.23Å; Y784-D806 HydrophobicContact CE2-CB 3.62Å |
| 785 | R | 98.2 | Very high | 95.1 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 1% | 0.011 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 122.2 | 160.2 | -66.2 | 173.9 | -176.2 | -80.7 | 0.6 | 107.9 | E746 E756 P800 A801 D833 | E746-R785 HydrophobicContact CB-CB 4.23Å; E746-R785 PolarHBondContact N-O 3.28Å; E746-R785 PolarHBondContact O-N 3.45Å; E756-R785 IonicContact OE1-CZ 2.76Å; E756-R785 IonicContact OE1-NE 3.68Å; E756-R785 PolarHBondContact OE1-NE 2.82Å; E756-R785 IonicContact OE1-NH2 2.72Å; E756-R785 PolarHBondContact OE1-NH2 2.97Å; E756-R785 VanDerWaalsContact OE1-NH2 3.08Å; E756-R785 IonicContact OE2-NH2 3.33Å; E756-R785 PolarHBondContact OE2-NH2 3.18Å; R785-P800 HydrophobicContact CB-CB 4.37Å; R785-P800 WeakPolarHBondContact CD-O 3.43Å; R785-P800 WeakPolarHBondContact CG-O 3.46Å; R785-P800 PolarHBondContact NH1-O 3.23Å; R785-A801 VanDerWaalsContact NH1-C 3.28Å; R785-A801 PolarHBondContact NH1-O 3.19Å; R785-D833 IonicContact CZ-OD1 2.83Å; R785-D833 VanDerWaalsContact CZ-OD1 3.31Å; R785-D833 IonicContact NH1-OD1 2.73Å; R785-D833 PolarHBondContact NH1-OD1 3.34Å; R785-D833 IonicContact NH2-OD1 3.7Å; R785-D833 PolarHBondContact NH2-OD1 3Å; R785-D833 IonicContact NH2-OD2 3.37Å |
| 786 | V | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 124.3 | -173.2 | -170.9 | 0 | 0 | 0 | 0 | 108.7 | L737 A742 V745 F798 L804 I994 | L737-V786 HydrophobicContact CD2-CG2 3.94Å; A742-V786 HydrophobicContact CB-CG1 3.61Å; V745-V786 HydrophobicContact CG2-CG1 4.22Å; V786-F798 HydrophobicContact CB-CD1 4.29Å; V786-F798 HydrophobicContact CG1-CD1 3.58Å; V786-F798 HydrophobicContact CG1-CE1 3.59Å; V786-L804 HydrophobicContact CB-CD1 4.41Å; V786-L804 HydrophobicContact CG2-CD1 4.04Å; V786-I994 HydrophobicContact CG2-CG1 4.28Å |
| 787 | H | 98.2 | Very high | 95.5 | Very high | 45 Ų | 45 | 40.7 Ų | 40.7 | 21% | 0.208 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 142.9 | 177.6 | -59.1 | -107.5 | 0 | 0 | 0 | 108.8 | A742 E743 R744 E746 P800 | A742-H787 CarbonylContact C-O 3.56Å; A742-H787 WeakPolarHBondContact CA-O 3.44Å; E743-H787 PolarHBondContact N-O 3.35Å; R744-H787 HydrophobicContact CB-CB 4.05Å; R744-H787 PolarHBondContact N-O 2.74Å; R744-H787 WeakPolarHBondContact O-CB 3.4Å; R744-H787 PolarHBondContact O-CD2 2.9Å; R744-H787 PolarHBondContact O-N 3.16Å; E746-H787 IonicContact OE2-CD2 2.68Å; E746-H787 IonicContact OE2-CE1 3.62Å; E746-H787 IonicContact OE2-NE2 2.95Å; E746-H787 PolarHBondContact OE2-NE2 3.22Å; H787-P800 VanDerWaalsContact CE1-CB 3.46Å; H787-P800 WeakPolarHBondContact CE1-CB 3.39Å |
| 788 | G | 96.9 | Very high | 95.6 | Very high | 18 Ų | 18 | 34.5 Ų | 34.5 | 19% | 0.186 | 19% | 0.194 | C | C | . | . | trans | 171.4 | -172.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 789 | P | 96.6 | Very high | 95.8 | Very high | 26 Ų | 26 | 32 Ų | 32 | 17% | 0.169 | 18% | 0.178 | C | C | . | . | trans | -67.5 | 134.3 | -175.9 | 23.7 | -32 | 0 | 0 | 0 | 113 | H741 Q791 H796 F798 | H741-P789 WeakPolarHBondContact O-CD 3.32Å; P789-Q791 HydrophobicContact CB-CG 4.17Å; P789-H796 HydrophobicContact CB-CB 4.32Å; P789-H796 HydrophobicContact CG-CB 4.02Å; P789-H796 WeakPolarHBondContact O-CB 3.12Å; P789-F798 HydrophobicContact CG-CD2 4.1Å; P789-F798 HydrophobicContact CG-CE2 4.25Å; P789-F798 WeakPolarHBondContact O-CD2 3.23Å | ||
| 790 | W | 95.5 | Very high | 96 | Very high | 49 Ų | 49 | 31.8 Ų | 31.8 | 19% | 0.186 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 90.8 | 162.3 | -175.3 | -87.3 | 0 | 0 | 0 | 109.2 | P792 R797 N799 A824 G825 N827 P829 | W790-P792 HydrophobicContact CD2-CG 4.46Å; W790-P792 HydrophobicContact CZ2-CG 4.19Å; W790-R797 HydrophobicContact CZ3-CB 4.17Å; W790-N799 HydrophobicContact CE3-CB 4.38Å; W790-N799 HydrophobicContact CZ3-CB 4.03Å; W790-A824 HydrophobicContact CH2-CB 3.85Å; W790-A824 VanDerWaalsContact CH2-O 3.24Å; W790-A824 WeakPolarHBondContact CH2-O 3.27Å; W790-A824 HydrophobicContact CZ3-CB 4.03Å; W790-G825 WeakPolarHBondContact CH2-O 3.46Å; W790-N827 PolarHBondContact NE1-O 2.79Å; W790-P829 HydrophobicContact CB-CG 4.36Å; W790-P829 HydrophobicContact CD2-CB 3.71Å; W790-P829 HydrophobicContact CD2-CG 3.85Å; W790-P829 HydrophobicContact CE3-CB 3.77Å; W790-P829 HydrophobicContact CE3-CG 4.35Å; W790-P829 HydrophobicContact CG-CB 4.24Å; W790-P829 HydrophobicContact CG-CG 3.84Å; W790-P829 HydrophobicContact CH2-CB 4.24Å; W790-P829 HydrophobicContact CZ2-CB 4.21Å; W790-P829 HydrophobicContact CZ3-CB 4.04Å |
| 791 | Q | 95 | Very high | 96 | Very high | 87 Ų | 87 | 30.6 Ų | 30.6 | 41% | 0.407 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 75 | 180 | -62.9 | 176.8 | 15.4 | 0 | 0 | 109.5 | P789 A793 E794 G795 H796 | P789-Q791 HydrophobicContact CB-CG 4.17Å; Q791-A793 PolarHBondContact O-N 2.98Å; Q791-A793 VanDerWaalsContact O-N 3.13Å; Q791-E794 HydrophobicContact CB-CB 4.39Å; Q791-E794 PolarHBondContact O-N 2.88Å; Q791-E794 PolarHBondContact OE1-OE2 3.33Å; Q791-G795 PolarHBondContact O-N 2.9Å; Q791-H796 CarbonylContact C-O 3.48Å; Q791-H796 HydrophobicContact CB-CB 4.29Å; Q791-H796 PolarHBondContact N-O 2.84Å; Q791-H796 VanDerWaalsContact N-O 3.07Å; Q791-H796 PolarHBondContact O-N 3.19Å; Q791-H796 VanDerWaalsContact O-N 3.15Å |
| 792 | P | 92.5 | Very high | 96 | Very high | 23 Ų | 23 | 25.9 Ų | 25.9 | 15% | 0.149 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -56.8 | -33.6 | -171.7 | -28.6 | 36.3 | 0 | 0 | 0 | 114.6 | W790 E794 G795 | W790-P792 HydrophobicContact CD2-CG 4.46Å; W790-P792 HydrophobicContact CZ2-CG 4.19Å; P792-E794 PolarHBondContact O-N 2.98Å; P792-G795 PolarHBondContact O-N 2.8Å |
| 793 | A | 89.9 | Confident | 96 | Very high | 74 Ų | 74 | 25.9 Ų | 25.9 | 61% | 0.612 | 15% | 0.147 | S | C | * | . | G | 310 helix | trans | -64.6 | -27.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q791 | Q791-A793 PolarHBondContact O-N 2.98Å; Q791-A793 VanDerWaalsContact O-N 3.13Å |
| 794 | E | 91.5 | Very high | 96 | Very high | 114 Ų | 114 | 25.9 Ų | 25.9 | 53% | 0.533 | 15% | 0.147 | S | C | . | . | G | 310 helix | trans | -93.9 | -2 | 176.1 | -60.2 | -172.8 | -161.6 | 0 | 0 | 111.7 | Q791 P792 R997 | Q791-E794 HydrophobicContact CB-CB 4.39Å; Q791-E794 PolarHBondContact O-N 2.88Å; Q791-E794 PolarHBondContact OE1-OE2 3.33Å; P792-E794 PolarHBondContact O-N 2.98Å; E794-R997 WeakPolarHBondContact O-CD 3.48Å; E794-R997 PolarHBondContact O-NH1 3.48Å |
| 795 | G | 92.7 | Very high | 96 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | -1.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q791 P792 N996 | Q791-G795 PolarHBondContact O-N 2.9Å; P792-G795 PolarHBondContact O-N 2.8Å; G795-N996 VanDerWaalsContact O-CB 3.26Å; G795-N996 WeakPolarHBondContact O-CB 3.41Å; G795-N996 PolarHBondContact O-ND2 2.92Å |
| 796 | H | 95 | Very high | 95.9 | Very high | 20 Ų | 20 | 26 Ų | 26 | 9% | 0.093 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 129 | 179.6 | -59.2 | -60.9 | 0 | 0 | 0 | 112.3 | H741 P789 Q791 F798 | H741-H796 AromaticContact CD2-CE1 3.48Å; H741-H796 PolarHBondContact CD2-CE1 3.13Å; H741-H796 VanDerWaalsContact CD2-CE1 3.48Å; H741-H796 AromaticContact CG-CE1 3.59Å; H741-H796 AromaticContact NE2-CE1 3.88Å; P789-H796 HydrophobicContact CB-CB 4.32Å; P789-H796 HydrophobicContact CG-CB 4.02Å; P789-H796 WeakPolarHBondContact O-CB 3.12Å; Q791-H796 CarbonylContact C-O 3.48Å; Q791-H796 HydrophobicContact CB-CB 4.29Å; Q791-H796 PolarHBondContact N-O 2.84Å; Q791-H796 VanDerWaalsContact N-O 3.07Å; Q791-H796 PolarHBondContact O-N 3.19Å; Q791-H796 VanDerWaalsContact O-N 3.15Å; H796-F798 HydrophobicContact CB-CD2 4.3Å; H796-F798 HydrophobicContact CB-CE2 4.44Å |
| 797 | R | 95.6 | Very high | 95.8 | Very high | 12 Ų | 12 | 26.1 Ų | 26.1 | 5% | 0.045 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 33.8 | -174.5 | -67.5 | -170.8 | 171.9 | -84.9 | -1.5 | 113.9 | W790 N799 G825 H826 L984 R992 N996 | W790-R797 HydrophobicContact CZ3-CB 4.17Å; R797-N799 PolarHBondContact O-N 3.1Å; R797-G825 PolarHBondContact NH1-O 2.84Å; R797-H826 PolarHBondContact NH1-O 2.96Å; R797-L984 VanDerWaalsContact NH2-CD2 3.31Å; R797-R992 HydrophobicContact CB-CG 4.39Å; R797-N996 HydrophobicContact CB-CB 4.47Å |
| 798 | F | 97.2 | Very high | 95.8 | Very high | 6 Ų | 6 | 24.5 Ų | 24.5 | 3% | 0.026 | 14% | 0.142 | C | C | . | . | trans | -62.8 | 123.1 | 178.8 | -68.3 | -88.7 | 0 | 0 | 0 | 111.8 | H741 A742 V786 P789 H796 I994 D995 | H741-F798 HydrophobicContact CB-CE2 3.73Å; H741-F798 HydrophobicContact CB-CZ 3.68Å; H741-F798 WeakPolarHBondContact O-CZ 3.5Å; A742-F798 HydrophobicContact CB-CE1 4Å; V786-F798 HydrophobicContact CB-CD1 4.29Å; V786-F798 HydrophobicContact CG1-CD1 3.58Å; V786-F798 HydrophobicContact CG1-CE1 3.59Å; P789-F798 HydrophobicContact CG-CD2 4.1Å; P789-F798 HydrophobicContact CG-CE2 4.25Å; P789-F798 WeakPolarHBondContact O-CD2 3.23Å; H796-F798 HydrophobicContact CB-CD2 4.3Å; H796-F798 HydrophobicContact CB-CE2 4.44Å; F798-I994 WeakPolarHBondContact CE1-O 3.28Å; F798-I994 WeakPolarHBondContact CZ-O 3.37Å; F798-D995 HydrophobicContact CZ-CB 4.41Å | ||
| 799 | N | 97.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 2% | 0.016 | 13% | 0.133 | C | C | . | . | trans | -140.1 | 95.7 | 179.1 | -174.1 | -13.3 | 0 | 0 | 0 | 111.5 | W790 R797 A801 K802 A824 D830 | W790-N799 HydrophobicContact CE3-CB 4.38Å; W790-N799 HydrophobicContact CZ3-CB 4.03Å; R797-N799 PolarHBondContact O-N 3.1Å; N799-A801 PolarHBondContact O-N 3.47Å; N799-A801 VanDerWaalsContact O-N 3.13Å; N799-A801 VanDerWaalsContact OD1-CB 3.25Å; N799-A801 WeakPolarHBondContact OD1-CB 3.27Å; N799-A801 PolarHBondContact OD1-N 3.08Å; N799-K802 HydrophobicContact CB-CG 4.23Å; N799-K802 PolarHBondContact O-N 2.85Å; N799-A824 PolarHBondContact ND2-O 3.21Å; N799-D830 PolarHBondContact ND2-O 3.46Å | ||
| 800 | P | 97.1 | Very high | 95.7 | Very high | 42 Ų | 42 | 24.3 Ų | 24.3 | 27% | 0.273 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -8.5 | -177.4 | 27.9 | -35.3 | 0 | 0 | 0 | 114 | R785 H787 K802 | R785-P800 HydrophobicContact CB-CB 4.37Å; R785-P800 WeakPolarHBondContact CD-O 3.43Å; R785-P800 WeakPolarHBondContact CG-O 3.46Å; R785-P800 PolarHBondContact NH1-O 3.23Å; H787-P800 VanDerWaalsContact CE1-CB 3.46Å; H787-P800 WeakPolarHBondContact CE1-CB 3.39Å; P800-K802 PolarHBondContact O-N 2.85Å |
| 801 | A | 97 | Very high | 95.7 | Very high | 17 Ų | 17 | 24.4 Ų | 24.4 | 14% | 0.14 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -16.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R785 N799 D833 N834 | R785-A801 VanDerWaalsContact NH1-C 3.28Å; R785-A801 PolarHBondContact NH1-O 3.19Å; N799-A801 PolarHBondContact O-N 3.47Å; N799-A801 VanDerWaalsContact O-N 3.13Å; N799-A801 VanDerWaalsContact OD1-CB 3.25Å; N799-A801 WeakPolarHBondContact OD1-CB 3.27Å; N799-A801 PolarHBondContact OD1-N 3.08Å; A801-D833 WeakPolarHBondContact O-CA 2.92Å; A801-D833 VanDerWaalsContact O-OD1 3.14Å; A801-N834 PolarHBondContact O-N 3.08Å |
| 802 | K | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -100.9 | 121 | 178.2 | -49.3 | -55.1 | 175.1 | 178.2 | 0 | 109.8 | N799 P800 L804 L821 H823 D830 R832 N834 L988 | N799-K802 HydrophobicContact CB-CG 4.23Å; N799-K802 PolarHBondContact O-N 2.85Å; P800-K802 PolarHBondContact O-N 2.85Å; K802-L804 HydrophobicContact CB-CD2 4.33Å; K802-L821 PolarHBondContact NZ-O 3.07Å; K802-H823 WeakPolarHBondContact CE-O 3.01Å; K802-H823 PolarHBondContact NZ-O 3.04Å; K802-H823 VanDerWaalsContact NZ-O 3.17Å; K802-D830 VanDerWaalsContact CE-O 3.31Å; K802-D830 WeakPolarHBondContact CE-O 3.48Å; K802-D830 IonicContact NZ-OD2 2.63Å; K802-D830 PolarHBondContact NZ-OD2 2.82Å; K802-R832 PolarHBondContact NZ-O 3.3Å; K802-N834 WeakPolarHBondContact CA-OD1 3.41Å; K802-N834 HydrophobicContact CD-CB 4.27Å; K802-L988 HydrophobicContact CB-CD2 3.62Å; K802-L988 HydrophobicContact CG-CD2 3.68Å |
| 803 | L | 97.8 | Very high | 95.9 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | trans | -70.2 | 125.9 | 164.5 | -172.9 | 77.8 | 0 | 0 | 0 | 108.2 | C748 F750 N834 A835 A838 | C748-L803 HydrophobicContact CB-CD1 3.63Å; F750-L803 HydrophobicContact CE2-CD1 4.21Å; F750-L803 HydrophobicContact CE2-CD2 3.81Å; F750-L803 HydrophobicContact CZ-CD1 4.05Å; F750-L803 HydrophobicContact CZ-CD2 3.5Å; F750-L803 VanDerWaalsContact CZ-CD2 3.5Å; F750-L803 HydrophobicContact CZ-CG 4.44Å; L803-N834 WeakPolarHBondContact CB-OD1 3.29Å; L803-N834 PolarHBondContact N-OD1 3.33Å; L803-N834 PolarHBondContact O-ND2 2.92Å; L803-A835 HydrophobicContact CB-CB 4.36Å; L803-A835 HydrophobicContact CD2-CB 4.32Å; L803-A838 HydrophobicContact CB-CB 4.06Å; L803-A838 HydrophobicContact CD2-CB 3.99Å | ||
| 804 | L | 98.2 | Very high | 96 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | B | Isolated β-bridge | trans | -110.3 | 145.2 | -177.8 | -54.2 | 174.4 | 0 | 0 | 0 | 109.6 | G783 Y784 V786 K802 L988 F989 G993 I994 | G783-L804 CarbonylContact C-O 3.2Å; G783-L804 WeakPolarHBondContact CA-O 3.41Å; Y784-L804 PolarHBondContact N-O 3.38Å; Y784-L804 PolarHBondContact O-N 2.91Å; V786-L804 HydrophobicContact CB-CD1 4.41Å; V786-L804 HydrophobicContact CG2-CD1 4.04Å; K802-L804 HydrophobicContact CB-CD2 4.33Å; L804-L988 HydrophobicContact CD2-CD2 3.7Å; L804-L988 HydrophobicContact CD2-CG 3.91Å; L804-F989 CarbonylContact C-O 3.57Å; L804-F989 WeakPolarHBondContact CA-O 3.32Å; L804-G993 WeakPolarHBondContact CD1-O 3.41Å; L804-I994 HydrophobicContact CB-CG1 4.48Å; L804-I994 HydrophobicContact CD1-CG1 3.85Å |
| 805 | I | 98.1 | Very high | 96 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.015 | 12% | 0.12 | C | C | . | . | trans | -79 | 150.1 | 169.8 | 66 | 172.8 | 0 | 0 | 0 | 109.8 | I812 F816 P839 C841 V936 A937 F989 S990 | I805-I812 HydrophobicContact CB-CD1 4.18Å; I805-I812 HydrophobicContact CD1-CD1 4.04Å; I805-I812 HydrophobicContact CG2-CD1 4.22Å; I805-F816 HydrophobicContact CD1-CE1 4.22Å; I805-F816 HydrophobicContact CD1-CZ 4.26Å; I805-P839 HydrophobicContact CG2-CB 4.23Å; I805-C841 VanDerWaalsContact CA-SG 3.57Å; I805-C841 VanDerWaalsContact CB-SG 3.53Å; I805-V936 HydrophobicContact CD1-CG2 4.05Å; I805-A937 HydrophobicContact CD1-CB 4.22Å; I805-F989 WeakPolarHBondContact CG1-O 3.38Å; I805-F989 PolarHBondContact N-O 2.97Å; I805-S990 PolarHBondContact O-OG 3.37Å | ||
| 806 | D | 97.7 | Very high | 96 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | trans | -66.6 | 123.7 | 168.5 | -177.3 | -12.8 | 0 | 0 | 0 | 109.7 | G725 A726 Y782 Y784 C808 A809 C841 | G725-D806 WeakPolarHBondContact CA-OD2 3.48Å; A726-D806 PolarHBondContact N-OD2 2.96Å; Y782-D806 HydrophobicContact CE2-CB 3.73Å; Y782-D806 WeakPolarHBondContact CE2-OD2 3.25Å; Y782-D806 WeakPolarHBondContact OH-CB 3.32Å; Y782-D806 PolarHBondContact OH-OD2 3.34Å; Y784-D806 HydrophobicContact CD2-CB 4.23Å; Y784-D806 HydrophobicContact CE2-CB 3.62Å; D806-C808 PolarHBondContact O-N 2.8Å; D806-C808 WeakPolarHBondContact OD1-CB 3.47Å; D806-C808 PolarHBondContact OD1-N 3Å; D806-A809 HydrophobicContact CB-CB 4.14Å; D806-A809 WeakPolarHBondContact O-CB 3.37Å; D806-A809 PolarHBondContact O-N 3.35Å; D806-C841 HydrophobicContact CB-CB 4.49Å; D806-C841 PolarHBondContact N-SG 3.41Å | ||
| 807 | P | 96.3 | Very high | 95.9 | Very high | 4 Ų | 4 | 27.3 Ų | 27.3 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -21.3 | 179.1 | 24.4 | -32 | 0 | 0 | 0 | 113 | L737 F939 L991 I994 Y1028 | L737-P807 HydrophobicContact CD1-CG 4.32Å; P807-F939 WeakPolarHBondContact O-CD2 3.27Å; P807-L991 HydrophobicContact CB-CD2 3.54Å; P807-L991 HydrophobicContact CG-CD2 4.18Å; P807-I994 HydrophobicContact CG-CD1 3.99Å; P807-Y1028 HydrophobicContact CB-CE2 3.9Å |
| 808 | C | 96.9 | Very high | 95.8 | Very high | 11 Ų | 11 | 29.3 Ų | 29.3 | 7% | 0.074 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 12 | 175.9 | -60.5 | 0 | 0 | 0 | 0 | 112.7 | D806 R810 F939 | D806-C808 PolarHBondContact O-N 2.8Å; D806-C808 WeakPolarHBondContact OD1-CB 3.47Å; D806-C808 PolarHBondContact OD1-N 3Å; C808-R810 PolarHBondContact O-N 3.39Å; C808-F939 HydrophobicContact CB-CE2 4.41Å; C808-F939 HydrophobicContact CB-CZ 4.47Å |
| 809 | A | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -61.6 | 132.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D806 I812 C841 F939 A940 | D806-A809 HydrophobicContact CB-CB 4.14Å; D806-A809 WeakPolarHBondContact O-CB 3.37Å; D806-A809 PolarHBondContact O-N 3.35Å; A809-I812 HydrophobicContact CB-CD1 3.66Å; A809-C841 HydrophobicContact CB-CB 3.93Å; A809-F939 CarbonylContact O-C 3.6Å; A809-F939 WeakPolarHBondContact O-CB 3.48Å; A809-A940 WeakPolarHBondContact O-CB 3.44Å; A809-A940 PolarHBondContact O-N 2.86Å | ||
| 810 | R | 95.2 | Very high | 95.5 | Very high | 40 Ų | 40 | 35.2 Ų | 35.2 | 15% | 0.151 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -90.7 | -14.3 | 178.5 | -64.4 | 173.6 | -178.1 | 165.3 | -18.6 | 113.9 | C808 V844 D846 F939 A940 Y1035 | C808-R810 PolarHBondContact O-N 3.39Å; R810-V844 HydrophobicContact CB-CG2 3.5Å; R810-V844 HydrophobicContact CG-CG2 4.23Å; R810-D846 IonicContact CZ-OD1 3.83Å; R810-D846 IonicContact CZ-OD2 3.64Å; R810-D846 IonicContact NE-OD1 3.87Å; R810-D846 PolarHBondContact NE-OD1 3Å; R810-D846 IonicContact NH1-OD1 3.57Å; R810-D846 PolarHBondContact NH1-OD1 3.15Å; R810-D846 IonicContact NH1-OD2 2.75Å; R810-D846 PolarHBondContact NH1-OD2 3.23Å; R810-D846 IonicContact NH2-OD1 2.94Å; R810-D846 PolarHBondContact NH2-OD1 3.39Å; R810-D846 IonicContact NH2-OD2 2.76Å; R810-D846 PolarHBondContact NH2-OD2 2.78Å; R810-F939 HydrophobicContact CG-CB 4.49Å; R810-A940 WeakPolarHBondContact O-CA 3.24Å; R810-A940 WeakPolarHBondContact O-CB 3.46Å; R810-Y1035 HydrophobicContact CG-CE2 4.06Å |
| 811 | Q | 96.2 | Very high | 95.5 | Very high | 50 Ų | 50 | 35.5 Ų | 35.5 | 23% | 0.234 | 19% | 0.191 | C | C | . | . | trans | -151.1 | 140.3 | 173.9 | -178.1 | 177.5 | -14.4 | 0 | 0 | 109.5 | V842 V844 | Q811-V842 HydrophobicContact CB-CB 4.13Å; Q811-V842 HydrophobicContact CG-CB 4.15Å; Q811-V842 HydrophobicContact CG-CG2 4.36Å; Q811-V842 PolarHBondContact O-N 2.84Å; Q811-V844 HydrophobicContact CB-CG1 3.67Å; Q811-V844 VanDerWaalsContact OE1-CG1 3.31Å | ||
| 812 | I | 96.3 | Very high | 95.4 | Very high | 12 Ų | 12 | 34.9 Ų | 34.9 | 6% | 0.062 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 135.4 | 176.1 | -58.6 | -62.4 | 0 | 0 | 0 | 108.8 | I805 A809 F816 P839 K840 C841 Q915 A937 A940 | I805-I812 HydrophobicContact CB-CD1 4.18Å; I805-I812 HydrophobicContact CD1-CD1 4.04Å; I805-I812 HydrophobicContact CG2-CD1 4.22Å; A809-I812 HydrophobicContact CB-CD1 3.66Å; I812-F816 HydrophobicContact CG2-CE2 4.2Å; I812-F816 HydrophobicContact CG2-CZ 3.89Å; I812-P839 HydrophobicContact CG2-CB 3.65Å; I812-K840 CarbonylContact C-O 3.59Å; I812-K840 WeakPolarHBondContact CA-O 3.46Å; I812-C841 HydrophobicContact CD1-CB 4.46Å; I812-Q915 HydrophobicContact CG1-CG 4.35Å; I812-A937 HydrophobicContact CD1-CB 4.2Å; I812-A937 HydrophobicContact CG1-CB 3.86Å; I812-A940 HydrophobicContact CG1-CB 4.4Å |
| 813 | D | 94.5 | Very high | 95.2 | Very high | 61 Ų | 61 | 37.2 Ų | 37.2 | 33% | 0.326 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 123.4 | 170.3 | -175.3 | 16 | 0 | 0 | 0 | 110 | R781 P839 K840 V842 | R781-D813 IonicContact CZ-OD2 3.44Å; R781-D813 VanDerWaalsContact CZ-OD2 3.23Å; R781-D813 IonicContact NE-OD2 3.31Å; R781-D813 PolarHBondContact NE-OD2 3.1Å; R781-D813 IonicContact NH2-OD2 2.87Å; R781-D813 PolarHBondContact NH2-OD2 3.49Å; D813-P839 CarbonylContact O-C 3.46Å; D813-P839 WeakPolarHBondContact O-CA 3.4Å; D813-K840 PolarHBondContact N-O 3.29Å; D813-K840 PolarHBondContact O-N 3.11Å; D813-V842 HydrophobicContact CB-CG2 3.77Å |
| 814 | G | 92.8 | Very high | 94.9 | Very high | 39 Ų | 39 | 37.4 Ų | 37.4 | 40% | 0.402 | 20% | 0.198 | S | C | . | . | S | Bend | trans | 117.2 | 172.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 815 | E | 90.1 | Very high | 94.6 | Very high | 130 Ų | 130 | 38.6 Ų | 38.6 | 61% | 0.607 | 21% | 0.211 | S | C | * | . | trans | -111.3 | 143.2 | -177.2 | -67 | 177.7 | 162.5 | 0 | 0 | 111.2 | K817 | E815-K817 HydrophobicContact CB-CG 4.21Å; E815-K817 PolarHBondContact O-N 3.2Å; E815-K817 WeakPolarHBondContact OE2-CE 3.49Å; E815-K817 IonicContact OE2-NZ 3.4Å; E815-K817 PolarHBondContact OE2-NZ 3.38Å | ||
| 816 | F | 94.1 | Very high | 94.1 | Very high | 18 Ų | 18 | 42.4 Ų | 42.4 | 8% | 0.079 | 23% | 0.229 | C | C | . | . | trans | -87.3 | 77.9 | 177.4 | -61.5 | -85.6 | 0 | 0 | 0 | 111.5 | I805 I812 P839 Q915 A917 Q923 V936 F989 | I805-F816 HydrophobicContact CD1-CE1 4.22Å; I805-F816 HydrophobicContact CD1-CZ 4.26Å; I812-F816 HydrophobicContact CG2-CE2 4.2Å; I812-F816 HydrophobicContact CG2-CZ 3.89Å; F816-P839 HydrophobicContact CD1-CG 3.74Å; F816-P839 HydrophobicContact CE1-CB 4.15Å; F816-P839 HydrophobicContact CE1-CG 3.61Å; F816-P839 HydrophobicContact CG-CG 4.3Å; F816-P839 HydrophobicContact CZ-CB 4.21Å; F816-P839 HydrophobicContact CZ-CG 4.07Å; F816-Q915 HydrophobicContact CE2-CG 3.93Å; F816-Q915 HydrophobicContact CZ-CG 4.46Å; F816-A917 HydrophobicContact CB-CB 3.61Å; F816-A917 HydrophobicContact CD2-CB 4.3Å; F816-A917 HydrophobicContact CG-CB 3.91Å; F816-Q923 PolarHBondContact O-NE2 2.88Å; F816-V936 HydrophobicContact CD1-CG1 4.18Å; F816-V936 HydrophobicContact CD1-CG2 4.02Å; F816-V936 HydrophobicContact CD2-CG1 4.01Å; F816-V936 HydrophobicContact CE1-CB 4.19Å; F816-V936 HydrophobicContact CE1-CG1 3.62Å; F816-V936 HydrophobicContact CE1-CG2 3.52Å; F816-V936 HydrophobicContact CE2-CG1 3.44Å; F816-V936 VanDerWaalsContact CE2-CG1 3.44Å; F816-V936 HydrophobicContact CG-CG1 4.36Å; F816-V936 HydrophobicContact CZ-CB 4.24Å; F816-V936 HydrophobicContact CZ-CG1 3.22Å; F816-V936 HydrophobicContact CZ-CG2 4Å; F816-F989 HydrophobicContact CB-CZ 4.15Å; F816-F989 AromaticContact CD1-CD1 3.97Å; F816-F989 HydrophobicContact CD1-CD1 3.97Å; F816-F989 HydrophobicContact CD1-CD2 4.22Å; F816-F989 AromaticContact CD1-CE1 3.83Å; F816-F989 HydrophobicContact CD1-CE1 3.83Å; F816-F989 HydrophobicContact CD1-CE2 4.06Å; F816-F989 HydrophobicContact CD1-CG 4.17Å; F816-F989 AromaticContact CD1-CZ 3.87Å; F816-F989 HydrophobicContact CD1-CZ 3.87Å; F816-F989 HydrophobicContact CE1-CD1 4.37Å; F816-F989 HydrophobicContact CE1-CG 4.37Å | ||
| 817 | K | 91.7 | Very high | 93.7 | Very high | 120 Ų | 120 | 48.8 Ų | 48.8 | 52% | 0.522 | 26% | 0.262 | S | S | . | . | trans | -81.5 | 146.9 | -176 | -62.4 | -173.1 | 179.9 | -176.7 | 0 | 113.1 | E815 N819 L822 | E815-K817 HydrophobicContact CB-CG 4.21Å; E815-K817 PolarHBondContact O-N 3.2Å; E815-K817 WeakPolarHBondContact OE2-CE 3.49Å; E815-K817 IonicContact OE2-NZ 3.4Å; E815-K817 PolarHBondContact OE2-NZ 3.38Å; K817-N819 PolarHBondContact O-N 3.36Å; K817-L822 WeakPolarHBondContact O-CD1 3.23Å | ||
| 818 | D | 94.4 | Very high | 93.5 | Very high | 54 Ų | 54 | 55.8 Ų | 55.8 | 29% | 0.289 | 30% | 0.295 | S | S | . | . | trans | -64.5 | 101.6 | 163.1 | -175.9 | 16.7 | 0 | 0 | 0 | 109.9 | P920 Q923 R924 | D818-P920 HydrophobicContact CB-CB 4.21Å; D818-Q923 HydrophobicContact CB-CB 4.4Å; D818-R924 IonicContact OD1-NH1 3.3Å; D818-R924 WeakPolarHBondContact OD2-CG 3.44Å; D818-R924 IonicContact OD2-CZ 3.18Å; D818-R924 IonicContact OD2-NE 2.87Å; D818-R924 IonicContact OD2-NH1 3.67Å; D818-R924 PolarHBondContact OD2-NH1 3.32Å | ||
| 819 | N | 94.9 | Very high | 93.4 | Very high | 50 Ų | 50 | 56.3 Ų | 56.3 | 27% | 0.267 | 30% | 0.298 | S | S | . | . | trans | -145.9 | 129.8 | -179.4 | -167.7 | -56.9 | 0 | 0 | 0 | 111.7 | K817 L821 L822 H823 I837 | K817-N819 PolarHBondContact O-N 3.36Å; N819-L821 PolarHBondContact O-N 3.39Å; N819-L821 WeakPolarHBondContact OD1-CB 3.31Å; N819-L821 PolarHBondContact OD1-N 3.2Å; N819-L822 HydrophobicContact CB-CD1 4.04Å; N819-L822 HydrophobicContact CB-CG 4.44Å; N819-L822 WeakPolarHBondContact O-CB 3.45Å; N819-L822 PolarHBondContact O-N 2.85Å; N819-H823 PolarHBondContact O-CD2 3.38Å; N819-I837 HydrophobicContact CB-CD1 3.82Å; N819-I837 VanDerWaalsContact CG-CD1 3.44Å | ||
| 820 | P | 93.4 | Very high | 93.3 | Very high | 83 Ų | 83 | 57.6 Ų | 57.6 | 54% | 0.539 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -54.2 | -26.9 | 178.7 | -27.4 | 34.2 | 0 | 0 | 0 | 115.8 | L822 H823 | P820-L822 PolarHBondContact O-N 3.22Å; P820-H823 PolarHBondContact O-N 3.1Å |
| 821 | L | 95.3 | Very high | 93.3 | Very high | 48 Ų | 48 | 64.1 Ų | 64.1 | 25% | 0.251 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -69.1 | -20.3 | 178.1 | -72.2 | 174.6 | 0 | 0 | 0 | 113 | K802 N819 H823 R832 N834 I837 | K802-L821 PolarHBondContact NZ-O 3.07Å; N819-L821 PolarHBondContact O-N 3.39Å; N819-L821 WeakPolarHBondContact OD1-CB 3.31Å; N819-L821 PolarHBondContact OD1-N 3.2Å; L821-H823 VanDerWaalsContact C-N 3.27Å; L821-H823 PolarHBondContact O-N 2.88Å; L821-R832 HydrophobicContact CD2-CB 3.61Å; L821-R832 HydrophobicContact CD2-CG 4.42Å; L821-N834 HydrophobicContact CB-CB 4.43Å; L821-N834 WeakPolarHBondContact O-CB 2.93Å; L821-I837 HydrophobicContact CB-CD1 3.69Å; L821-I837 HydrophobicContact CB-CG1 4.5Å; L821-I837 HydrophobicContact CD1-CD1 4.12Å |
| 822 | L | 95.2 | Very high | 93.4 | Very high | 4 Ų | 4 | 68 Ų | 68 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -84.5 | 2.7 | 177.6 | -63.4 | 164.1 | 0 | 0 | 0 | 112.7 | K817 N819 P820 N834 I837 A838 P987 L988 F989 | K817-L822 WeakPolarHBondContact O-CD1 3.23Å; N819-L822 HydrophobicContact CB-CD1 4.04Å; N819-L822 HydrophobicContact CB-CG 4.44Å; N819-L822 WeakPolarHBondContact O-CB 3.45Å; N819-L822 PolarHBondContact O-N 2.85Å; P820-L822 PolarHBondContact O-N 3.22Å; L822-N834 HydrophobicContact CD2-CB 4.42Å; L822-I837 HydrophobicContact CD1-CD1 4.21Å; L822-I837 HydrophobicContact CD2-CD1 4.26Å; L822-I837 HydrophobicContact CD2-CG1 4.34Å; L822-I837 HydrophobicContact CG-CD1 3.89Å; L822-I837 HydrophobicContact CG-CG1 4.5Å; L822-A838 HydrophobicContact CD2-CB 4.41Å; L822-P987 HydrophobicContact CB-CB 4.4Å; L822-L988 PolarHBondContact O-N 2.84Å; L822-F989 HydrophobicContact CB-CE1 4.4Å; L822-F989 HydrophobicContact CD1-CE1 4.09Å; L822-F989 HydrophobicContact CD2-CE1 4.4Å |
| 823 | H | 94.5 | Very high | 93.4 | Very high | 48 Ų | 48 | 71.1 Ų | 71.1 | 22% | 0.222 | 36% | 0.36 | C | S | . | . | trans | -99.4 | 145 | 175.6 | -62.1 | -101.6 | 0 | 0 | 0 | 111 | K802 N819 P820 L821 D985 G986 | K802-H823 WeakPolarHBondContact CE-O 3.01Å; K802-H823 PolarHBondContact NZ-O 3.04Å; K802-H823 VanDerWaalsContact NZ-O 3.17Å; N819-H823 PolarHBondContact O-CD2 3.38Å; P820-H823 PolarHBondContact O-N 3.1Å; L821-H823 VanDerWaalsContact C-N 3.27Å; L821-H823 PolarHBondContact O-N 2.88Å; H823-D985 PolarHBondContact CE1-O 2.93Å; H823-D985 PolarHBondContact ND1-O 2.92Å; H823-G986 PolarHBondContact ND1-O 2.73Å | ||
| 824 | A | 91 | Very high | 93.4 | Very high | 8 Ų | 8 | 68.3 Ų | 68.3 | 7% | 0.066 | 35% | 0.345 | C | S | . | . | trans | -83.5 | -16.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | W790 N799 P829 D830 L988 | W790-A824 HydrophobicContact CH2-CB 3.85Å; W790-A824 VanDerWaalsContact CH2-O 3.24Å; W790-A824 WeakPolarHBondContact CH2-O 3.27Å; W790-A824 HydrophobicContact CZ3-CB 4.03Å; N799-A824 PolarHBondContact ND2-O 3.21Å; A824-P829 CarbonylContact O-C 3.59Å; A824-P829 WeakPolarHBondContact O-CA 3.18Å; A824-D830 PolarHBondContact O-N 2.69Å; A824-L988 HydrophobicContact CB-CB 4.19Å; A824-L988 HydrophobicContact CB-CD1 4.01Å; A824-L988 HydrophobicContact CB-CD2 3.93Å; A824-L988 HydrophobicContact CB-CG 4.27Å | ||
| 825 | G | 90.8 | Very high | 93.5 | Very high | 26 Ų | 26 | 66.9 Ų | 66.9 | 27% | 0.268 | 33% | 0.329 | S | S | . | . | trans | 95.9 | 157.4 | -165.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | W790 R797 E828 | W790-G825 WeakPolarHBondContact CH2-O 3.46Å; R797-G825 PolarHBondContact NH1-O 2.84Å; G825-E828 WeakPolarHBondContact CA-O 3.24Å | ||
| 826 | H | 89.1 | Confident | 93.7 | Very high | 84 Ų | 84 | 65.3 Ų | 65.3 | 39% | 0.389 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -89.9 | -71 | -174.1 | -113.8 | -78 | 0 | 0 | 0 | 112.1 | R797 D985 | R797-H826 PolarHBondContact NH1-O 2.96Å; H826-D985 IonicContact CD2-OD1 3.41Å; H826-D985 IonicContact CE1-OD1 3.52Å; H826-D985 IonicContact NE2-OD1 3.55Å; H826-D985 PolarHBondContact NE2-OD1 3.19Å |
| 827 | N | 88.1 | Confident | 93.7 | Very high | 134 Ų | 134 | 67.5 Ų | 67.5 | 72% | 0.717 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -95.9 | -32.4 | 179.7 | -64.6 | -28.2 | 0 | 0 | 0 | 112 | W790 | W790-N827 PolarHBondContact NE1-O 2.79Š|
| 828 | E | 92.7 | Very high | 93.9 | Very high | 151 Ų | 151 | 62 Ų | 62 | 71% | 0.706 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -121.2 | 146.2 | -180 | -57.4 | -174.7 | -152.2 | 0 | 0 | 109.2 | G825 | G825-E828 WeakPolarHBondContact CA-O 3.24Š|
| 829 | P | 94.6 | Very high | 94 | Very high | 23 Ų | 23 | 59.6 Ų | 59.6 | 15% | 0.149 | 32% | 0.315 | C | S | . | . | trans | -71 | 137.1 | -179.6 | 19.4 | -16.8 | 0 | 0 | 0 | 111 | W790 A824 Y831 | W790-P829 HydrophobicContact CB-CG 4.36Å; W790-P829 HydrophobicContact CD2-CB 3.71Å; W790-P829 HydrophobicContact CD2-CG 3.85Å; W790-P829 HydrophobicContact CE3-CB 3.77Å; W790-P829 HydrophobicContact CE3-CG 4.35Å; W790-P829 HydrophobicContact CG-CB 4.24Å; W790-P829 HydrophobicContact CG-CG 3.84Å; W790-P829 HydrophobicContact CH2-CB 4.24Å; W790-P829 HydrophobicContact CZ2-CB 4.21Å; W790-P829 HydrophobicContact CZ3-CB 4.04Å; A824-P829 CarbonylContact O-C 3.59Å; A824-P829 WeakPolarHBondContact O-CA 3.18Å; P829-Y831 HydrophobicContact CG-CE1 4.1Å; P829-Y831 HydrophobicContact CG-CE2 4.39Å; P829-Y831 WeakPolarHBondContact O-CD2 3.41Å; P829-Y831 VanDerWaalsContact O-CE2 3.31Å; P829-Y831 WeakPolarHBondContact O-CE2 3.38Å; P829-Y831 PolarHBondContact O-N 2.64Å | ||
| 830 | D | 94.9 | Very high | 94.1 | Very high | 26 Ų | 26 | 58.9 Ų | 58.9 | 14% | 0.139 | 31% | 0.31 | C | S | . | . | trans | -78.9 | 110.6 | 168.8 | 176.4 | 15.9 | 0 | 0 | 0 | 110.1 | N799 K802 A824 R832 | N799-D830 PolarHBondContact ND2-O 3.46Å; K802-D830 VanDerWaalsContact CE-O 3.31Å; K802-D830 WeakPolarHBondContact CE-O 3.48Å; K802-D830 IonicContact NZ-OD2 2.63Å; K802-D830 PolarHBondContact NZ-OD2 2.82Å; A824-D830 PolarHBondContact O-N 2.69Å; D830-R832 VanDerWaalsContact C-N 3.29Å; D830-R832 PolarHBondContact O-N 2.82Å; D830-R832 WeakPolarHBondContact OD1-CB 3.4Å; D830-R832 WeakPolarHBondContact OD1-CG 3.46Å; D830-R832 IonicContact OD1-CZ 3.95Å; D830-R832 PolarHBondContact OD1-N 2.83Å; D830-R832 IonicContact OD1-NE 3.81Å; D830-R832 PolarHBondContact OD1-NE 2.92Å; D830-R832 IonicContact OD1-NH2 3.1Å; D830-R832 IonicContact OD2-CZ 3.4Å; D830-R832 IonicContact OD2-NE 3.48Å; D830-R832 PolarHBondContact OD2-NE 3.15Å; D830-R832 IonicContact OD2-NH2 3.93Å; D830-R832 PolarHBondContact OD2-NH2 3.1Å | ||
| 831 | Y | 95.8 | Very high | 94.3 | Very high | 178 Ų | 178 | 55 Ų | 55 | 70% | 0.698 | 28% | 0.284 | S | S | * | . | trans | -79.5 | -0.9 | -177.3 | -58.9 | -77.7 | 0 | 0 | 0 | 114.8 | P829 D833 | P829-Y831 HydrophobicContact CG-CE1 4.1Å; P829-Y831 HydrophobicContact CG-CE2 4.39Å; P829-Y831 WeakPolarHBondContact O-CD2 3.41Å; P829-Y831 VanDerWaalsContact O-CE2 3.31Å; P829-Y831 WeakPolarHBondContact O-CE2 3.38Å; P829-Y831 PolarHBondContact O-N 2.64Å; Y831-D833 PolarHBondContact O-N 2.9Å | ||
| 832 | R | 96.8 | Very high | 94.4 | Very high | 132 Ų | 132 | 53.3 Ų | 53.3 | 50% | 0.498 | 28% | 0.276 | S | S | . | . | trans | -73.2 | 128.7 | 178.1 | -64 | 171.7 | -63.8 | 167.7 | 8.1 | 110.7 | K802 L821 D830 | K802-R832 PolarHBondContact NZ-O 3.3Å; L821-R832 HydrophobicContact CD2-CB 3.61Å; L821-R832 HydrophobicContact CD2-CG 4.42Å; D830-R832 VanDerWaalsContact C-N 3.29Å; D830-R832 PolarHBondContact O-N 2.82Å; D830-R832 WeakPolarHBondContact OD1-CB 3.4Å; D830-R832 WeakPolarHBondContact OD1-CG 3.46Å; D830-R832 IonicContact OD1-CZ 3.95Å; D830-R832 PolarHBondContact OD1-N 2.83Å; D830-R832 IonicContact OD1-NE 3.81Å; D830-R832 PolarHBondContact OD1-NE 2.92Å; D830-R832 IonicContact OD1-NH2 3.1Å; D830-R832 IonicContact OD2-CZ 3.4Å; D830-R832 IonicContact OD2-NE 3.48Å; D830-R832 PolarHBondContact OD2-NE 3.15Å; D830-R832 IonicContact OD2-NH2 3.93Å; D830-R832 PolarHBondContact OD2-NH2 3.1Å | ||
| 833 | D | 96 | Very high | 94.4 | Very high | 77 Ų | 77 | 53.2 Ų | 53.2 | 41% | 0.412 | 28% | 0.276 | S | S | . | . | trans | -68.3 | 138.5 | 178.1 | -174.7 | 32 | 0 | 0 | 0 | 112.4 | R785 A801 Y831 A835 | R785-D833 IonicContact CZ-OD1 2.83Å; R785-D833 VanDerWaalsContact CZ-OD1 3.31Å; R785-D833 IonicContact NH1-OD1 2.73Å; R785-D833 PolarHBondContact NH1-OD1 3.34Å; R785-D833 IonicContact NH2-OD1 3.7Å; R785-D833 PolarHBondContact NH2-OD1 3Å; R785-D833 IonicContact NH2-OD2 3.37Å; A801-D833 WeakPolarHBondContact O-CA 2.92Å; A801-D833 VanDerWaalsContact O-OD1 3.14Å; Y831-D833 PolarHBondContact O-N 2.9Å; D833-A835 PolarHBondContact OD1-N 3.29Å | ||
| 834 | N | 96.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | trans | -109.3 | -4.7 | -179 | 76 | -12.1 | 0 | 0 | 0 | 113.8 | A801 K802 L803 L821 L822 A836 I837 A838 | A801-N834 PolarHBondContact O-N 3.08Å; K802-N834 WeakPolarHBondContact CA-OD1 3.41Å; K802-N834 HydrophobicContact CD-CB 4.27Å; L803-N834 WeakPolarHBondContact CB-OD1 3.29Å; L803-N834 PolarHBondContact N-OD1 3.33Å; L803-N834 PolarHBondContact O-ND2 2.92Å; L821-N834 HydrophobicContact CB-CB 4.43Å; L821-N834 WeakPolarHBondContact O-CB 2.93Å; L822-N834 HydrophobicContact CD2-CB 4.42Å; N834-A836 PolarHBondContact O-N 2.92Å; N834-I837 WeakPolarHBondContact O-CG1 3.44Å; N834-I837 PolarHBondContact O-N 3.5Å; N834-A838 WeakPolarHBondContact O-CB 3.5Å; N834-A838 PolarHBondContact O-N 3.44Å | ||
| 835 | A | 95.1 | Very high | 94.4 | Very high | 9 Ų | 9 | 54.5 Ų | 54.5 | 7% | 0.074 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -29.9 | -168 | 0 | 0 | 0 | 0 | 0 | 114.5 | L803 D833 I837 K840 | L803-A835 HydrophobicContact CB-CB 4.36Å; L803-A835 HydrophobicContact CD2-CB 4.32Å; D833-A835 PolarHBondContact OD1-N 3.29Å; A835-I837 PolarHBondContact O-N 3.35Å; A835-K840 WeakPolarHBondContact O-CE 3.33Å; A835-K840 PolarHBondContact O-NZ 2.98Å |
| 836 | A | 93.2 | Very high | 94.2 | Very high | 98 Ų | 98 | 54.8 Ų | 54.8 | 81% | 0.81 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -30.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N834 | N834-A836 PolarHBondContact O-N 2.92Š|
| 837 | I | 94.4 | Very high | 94.1 | Very high | 64 Ų | 64 | 58 Ų | 58 | 33% | 0.328 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | -19.3 | -176.8 | 65.9 | 161.9 | 0 | 0 | 0 | 113.8 | N819 L821 L822 N834 A835 | N819-I837 HydrophobicContact CB-CD1 3.82Å; N819-I837 VanDerWaalsContact CG-CD1 3.44Å; L821-I837 HydrophobicContact CB-CD1 3.69Å; L821-I837 HydrophobicContact CB-CG1 4.5Å; L821-I837 HydrophobicContact CD1-CD1 4.12Å; L822-I837 HydrophobicContact CD1-CD1 4.21Å; L822-I837 HydrophobicContact CD2-CD1 4.26Å; L822-I837 HydrophobicContact CD2-CG1 4.34Å; L822-I837 HydrophobicContact CG-CD1 3.89Å; L822-I837 HydrophobicContact CG-CG1 4.5Å; N834-I837 WeakPolarHBondContact O-CG1 3.44Å; N834-I837 PolarHBondContact O-N 3.5Å; A835-I837 PolarHBondContact O-N 3.35Å |
| 838 | A | 95.7 | Very high | 94.4 | Very high | 3 Ų | 3 | 53.1 Ų | 53.1 | 3% | 0.025 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -61.8 | 138.3 | 180 | 0 | 0 | 0 | 0 | 0 | 110.5 | L803 L822 N834 K840 | L803-A838 HydrophobicContact CB-CB 4.06Å; L803-A838 HydrophobicContact CD2-CB 3.99Å; L822-A838 HydrophobicContact CD2-CB 4.41Å; N834-A838 WeakPolarHBondContact O-CB 3.5Å; N834-A838 PolarHBondContact O-N 3.44Å; A838-K840 WeakPolarHBondContact O-CD 3.48Å; A838-K840 WeakPolarHBondContact O-CE 3.4Å; A838-K840 PolarHBondContact O-NZ 3.11Å |
| 839 | P | 96.2 | Very high | 94.4 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | trans | -59.1 | 151.2 | 169.1 | -20.9 | 33.2 | 0 | 0 | 0 | 111 | I805 I812 D813 F816 | I805-P839 HydrophobicContact CG2-CB 4.23Å; I812-P839 HydrophobicContact CG2-CB 3.65Å; D813-P839 CarbonylContact O-C 3.46Å; D813-P839 WeakPolarHBondContact O-CA 3.4Å; F816-P839 HydrophobicContact CD1-CG 3.74Å; F816-P839 HydrophobicContact CE1-CB 4.15Å; F816-P839 HydrophobicContact CE1-CG 3.61Å; F816-P839 HydrophobicContact CG-CG 4.3Å; F816-P839 HydrophobicContact CZ-CB 4.21Å; F816-P839 HydrophobicContact CZ-CG 4.07Å | ||
| 840 | K | 96.8 | Very high | 94.5 | Very high | 36 Ų | 36 | 51.6 Ų | 51.6 | 16% | 0.157 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 144.4 | 177.8 | -67.8 | 88.6 | -175 | 156.4 | 0 | 109.7 | F750 R781 I812 D813 A835 A838 | F750-K840 HydrophobicContact CD2-CG 3.92Å; F750-K840 HydrophobicContact CE2-CG 3.95Å; F750-K840 HydrophobicContact CG-CG 4.45Å; F750-K840 HydrophobicContact CZ-CG 4.49Å; R781-K840 HydrophobicContact CB-CB 4.16Å; R781-K840 HydrophobicContact CG-CB 4.44Å; I812-K840 CarbonylContact C-O 3.59Å; I812-K840 WeakPolarHBondContact CA-O 3.46Å; D813-K840 PolarHBondContact N-O 3.29Å; D813-K840 PolarHBondContact O-N 3.11Å; A835-K840 WeakPolarHBondContact O-CE 3.33Å; A835-K840 PolarHBondContact O-NZ 2.98Å; A838-K840 WeakPolarHBondContact O-CD 3.48Å; A838-K840 WeakPolarHBondContact O-CE 3.4Å; A838-K840 PolarHBondContact O-NZ 3.11Å |
| 841 | C | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 151.3 | 167.5 | -56 | 0 | 0 | 0 | 0 | 109.9 | R781 Y782 I805 D806 A809 I812 | R781-C841 CarbonylContact C-O 3.58Å; R781-C841 VanDerWaalsContact CA-O 3.24Å; R781-C841 WeakPolarHBondContact CA-O 3.39Å; Y782-C841 HydrophobicContact CD1-CB 3.6Å; Y782-C841 WeakPolarHBondContact CD1-O 3.29Å; Y782-C841 HydrophobicContact CD2-CB 4.27Å; Y782-C841 HydrophobicContact CE1-CB 3.22Å; Y782-C841 HydrophobicContact CE2-CB 3.96Å; Y782-C841 HydrophobicContact CG-CB 4.1Å; Y782-C841 VanDerWaalsContact CZ-CB 3.4Å; Y782-C841 PolarHBondContact N-O 2.73Å; Y782-C841 WeakPolarHBondContact O-CB 3.24Å; Y782-C841 PolarHBondContact O-N 3.45Å; I805-C841 VanDerWaalsContact CA-SG 3.57Å; I805-C841 VanDerWaalsContact CB-SG 3.53Å; D806-C841 HydrophobicContact CB-CB 4.49Å; D806-C841 PolarHBondContact N-SG 3.41Å; A809-C841 HydrophobicContact CB-CB 3.93Å; I812-C841 HydrophobicContact CD1-CB 4.46Å |
| 842 | V | 96.8 | Very high | 94.3 | Very high | 14 Ų | 14 | 54.6 Ų | 54.6 | 9% | 0.085 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 128.9 | 176.6 | -175.7 | 0 | 0 | 0 | 0 | 108.9 | L780 R781 Q811 D813 V844 | L780-V842 WeakPolarHBondContact O-CA 3.05Å; R781-V842 HydrophobicContact CG-CG2 4.41Å; Q811-V842 HydrophobicContact CB-CB 4.13Å; Q811-V842 HydrophobicContact CG-CB 4.15Å; Q811-V842 HydrophobicContact CG-CG2 4.36Å; Q811-V842 PolarHBondContact O-N 2.84Å; D813-V842 HydrophobicContact CB-CG2 3.77Å; V842-V844 PolarHBondContact O-N 3.44Å |
| 843 | V | 96.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | trans | -68 | 125.6 | 170.9 | 178 | 0 | 0 | 0 | 0 | 108.6 | A726 V733 F735 P778 G779 L780 Y782 | A726-V843 HydrophobicContact CB-CG2 4.23Å; V733-V843 HydrophobicContact CG1-CG1 4.13Å; V733-V843 HydrophobicContact CG1-CG2 4.07Å; V733-V843 HydrophobicContact CG2-CG1 3.69Å; V733-V843 HydrophobicContact CG2-CG2 4.32Å; F735-V843 HydrophobicContact CE1-CG2 4.28Å; F735-V843 HydrophobicContact CZ-CG2 4.25Å; P778-V843 CarbonylContact C-O 3.58Å; P778-V843 VanDerWaalsContact CA-O 3.31Å; P778-V843 WeakPolarHBondContact CA-O 3.49Å; G779-V843 PolarHBondContact N-O 3.22Å; L780-V843 HydrophobicContact CB-CB 4.36Å; L780-V843 HydrophobicContact CB-CG2 4.12Å; L780-V843 PolarHBondContact O-N 3.46Å; Y782-V843 HydrophobicContact CD1-CG2 3.9Å; Y782-V843 HydrophobicContact CE1-CG2 3.96Å | ||
| 844 | V | 94.1 | Very high | 94.2 | Very high | 16 Ų | 16 | 49.3 Ų | 49.3 | 10% | 0.097 | 28% | 0.275 | C | S | . | . | trans | -119.6 | 166.2 | 179 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | R810 Q811 V842 | R810-V844 HydrophobicContact CB-CG2 3.5Å; R810-V844 HydrophobicContact CG-CG2 4.23Å; Q811-V844 HydrophobicContact CB-CG1 3.67Å; Q811-V844 VanDerWaalsContact OE1-CG1 3.31Å; V842-V844 PolarHBondContact O-N 3.44Å | ||
| 845 | V | 90.9 | Very high | 94.2 | Very high | 66 Ų | 66 | 52 Ų | 52 | 40% | 0.4 | 29% | 0.293 | S | S | . | . | trans | -100.5 | 137.5 | 169.8 | 84.3 | 0 | 0 | 0 | 0 | 109.3 | Y728 P778 H847 | Y728-V845 HydrophobicContact CD1-CG2 4.11Å; P778-V845 HydrophobicContact CG-CB 4.27Å; V845-H847 HydrophobicContact CG2-CB 4.5Å | ||
| 846 | D | 86.3 | Confident | 94.3 | Very high | 33 Ų | 33 | 53.4 Ų | 53.4 | 18% | 0.176 | 30% | 0.301 | C | S | . | . | trans | -82.4 | -27 | 179 | -71.3 | -32.2 | 0 | 0 | 0 | 113.5 | H727 R810 Y848 R957 T1039 | H727-D846 IonicContact CE1-OD2 3.01Å; H727-D846 IonicContact ND1-OD2 3.74Å; R810-D846 IonicContact CZ-OD1 3.83Å; R810-D846 IonicContact CZ-OD2 3.64Å; R810-D846 IonicContact NE-OD1 3.87Å; R810-D846 PolarHBondContact NE-OD1 3Å; R810-D846 IonicContact NH1-OD1 3.57Å; R810-D846 PolarHBondContact NH1-OD1 3.15Å; R810-D846 IonicContact NH1-OD2 2.75Å; R810-D846 PolarHBondContact NH1-OD2 3.23Å; R810-D846 IonicContact NH2-OD1 2.94Å; R810-D846 PolarHBondContact NH2-OD1 3.39Å; R810-D846 IonicContact NH2-OD2 2.76Å; R810-D846 PolarHBondContact NH2-OD2 2.78Å; D846-Y848 PolarHBondContact O-N 3.04Å; D846-R957 PolarHBondContact O-NH1 2.92Å; D846-T1039 HydrophobicContact CB-CG2 3.9Å | ||
| 847 | H | 87.8 | Confident | 94.4 | Very high | 150 Ų | 150 | 55.7 Ų | 55.7 | 69% | 0.694 | 29% | 0.289 | S | S | * | . | trans | -56.5 | 124.7 | -173.4 | -176.8 | -13.5 | 0 | 0 | 0 | 110.7 | V845 | V845-H847 HydrophobicContact CG2-CB 4.5Š| ||
| 848 | Y | 93.1 | Very high | 94.6 | Very high | 32 Ų | 32 | 53.8 Ų | 53.8 | 13% | 0.125 | 28% | 0.28 | C | S | . | . | trans | -136.5 | 151.6 | 171.7 | 176.2 | -95.4 | 0 | 0 | 0 | 109.9 | D846 W850 H954 R957 D958 | D846-Y848 PolarHBondContact O-N 3.04Å; Y848-W850 AromaticContact CD1-CD1 3.85Å; Y848-W850 AromaticContact CD1-CD2 3.74Å; Y848-W850 HydrophobicContact CD1-CD2 3.74Å; Y848-W850 AromaticContact CD1-CE2 3.67Å; Y848-W850 HydrophobicContact CD1-CE3 4.38Å; Y848-W850 AromaticContact CD1-CG 3.86Å; Y848-W850 HydrophobicContact CD1-CG 3.86Å; Y848-W850 HydrophobicContact CD1-CZ2 4.24Å; Y848-W850 AromaticContact CD1-NE1 3.74Å; Y848-W850 AromaticContact CE1-CD2 3.87Å; Y848-W850 HydrophobicContact CE1-CD2 3.87Å; Y848-W850 HydrophobicContact CE1-CE3 4.05Å; Y848-W850 HydrophobicContact CE1-CG 4.24Å; Y848-W850 HydrophobicContact CE1-CZ3 4.45Å; Y848-W850 PolarHBondContact O-N 3.04Å; Y848-H954 AromaticContact CD2-CD2 3.73Å; Y848-R957 HydrophobicContact CD1-CB 4.09Å; Y848-R957 HydrophobicContact CD2-CB 4.24Å; Y848-R957 HydrophobicContact CE1-CB 3.8Å; Y848-R957 HydrophobicContact CE2-CB 3.94Å; Y848-R957 HydrophobicContact CG-CB 4.3Å; Y848-D958 PolarHBondContact OH-OD1 3.14Å | ||
| 849 | D | 94.6 | Very high | 94.6 | Very high | 105 Ų | 105 | 58 Ų | 58 | 56% | 0.561 | 31% | 0.307 | S | S | * | . | trans | -91.1 | 95.1 | 178.4 | -174.1 | 5.5 | 0 | 0 | 0 | 110.4 | E851 K961 | D849-E851 PolarHBondContact O-N 3.27Å; D849-E851 PolarHBondContact OD1-N 3.43Å; D849-K961 PolarHBondContact O-NZ 2.99Å; D849-K961 VanDerWaalsContact O-NZ 3.16Å | ||
| 850 | W | 96 | Very high | 94.6 | Very high | 37 Ų | 37 | 60.4 Ų | 60.4 | 14% | 0.14 | 32% | 0.316 | C | S | . | . | trans | -74.9 | -3.1 | 176.9 | -75.1 | 107.1 | 0 | 0 | 0 | 113.7 | Y848 D852 D853 R957 I960 K961 C1040 H1041 | Y848-W850 AromaticContact CD1-CD1 3.85Å; Y848-W850 AromaticContact CD1-CD2 3.74Å; Y848-W850 HydrophobicContact CD1-CD2 3.74Å; Y848-W850 AromaticContact CD1-CE2 3.67Å; Y848-W850 HydrophobicContact CD1-CE3 4.38Å; Y848-W850 AromaticContact CD1-CG 3.86Å; Y848-W850 HydrophobicContact CD1-CG 3.86Å; Y848-W850 HydrophobicContact CD1-CZ2 4.24Å; Y848-W850 AromaticContact CD1-NE1 3.74Å; Y848-W850 AromaticContact CE1-CD2 3.87Å; Y848-W850 HydrophobicContact CE1-CD2 3.87Å; Y848-W850 HydrophobicContact CE1-CE3 4.05Å; Y848-W850 HydrophobicContact CE1-CG 4.24Å; Y848-W850 HydrophobicContact CE1-CZ3 4.45Å; Y848-W850 PolarHBondContact O-N 3.04Å; W850-D852 PolarHBondContact O-N 3.19Å; W850-D853 HydrophobicContact CB-CB 4.28Å; W850-D853 HydrophobicContact CE3-CB 3.91Å; W850-D853 WeakPolarHBondContact O-CB 3.37Å; W850-D853 PolarHBondContact O-N 2.91Å; W850-R957 HydrophobicContact CH2-CB 3.96Å; W850-R957 HydrophobicContact CH2-CG 3.99Å; W850-R957 HydrophobicContact CZ2-CB 4.1Å; W850-R957 HydrophobicContact CZ2-CG 3.78Å; W850-I960 HydrophobicContact CH2-CB 4.43Å; W850-I960 HydrophobicContact CH2-CG2 4.17Å; W850-I960 HydrophobicContact CZ3-CG2 4.18Å; W850-K961 HydrophobicContact CE3-CB 4.29Å; W850-K961 HydrophobicContact CE3-CD 4.37Å; W850-K961 HydrophobicContact CE3-CG 4.47Å; W850-K961 HydrophobicContact CZ3-CB 4.07Å; W850-C1040 WeakPolarHBondContact CH2-O 3.32Å; W850-H1041 AromaticContact CD1-CE1 3.73Å; W850-H1041 AromaticContact CD1-NE2 3.6Å; W850-H1041 AromaticContact CD2-CE1 3.29Å; W850-H1041 AromaticContact CD2-CG 3.9Å; W850-H1041 AromaticContact CD2-ND1 3.42Å; W850-H1041 AromaticContact CD2-NE2 3.7Å; W850-H1041 AromaticContact CE2-CD2 3.55Å; W850-H1041 AromaticContact CE2-CE1 3.6Å; W850-H1041 AromaticContact CE2-CG 3.67Å; W850-H1041 AromaticContact CE2-ND1 3.7Å; W850-H1041 AromaticContact CE2-NE2 3.51Å; W850-H1041 AromaticContact CE3-CE1 3.7Å; W850-H1041 AromaticContact CE3-CG 3.93Å; W850-H1041 AromaticContact CE3-ND1 3.35Å; W850-H1041 AromaticContact CG-CE1 3.42Å; W850-H1041 VanDerWaalsContact CG-CE1 3.42Å; W850-H1041 AromaticContact CG-NE2 3.78Å; W850-H1041 HydrophobicContact CH2-CB 3.56Å; W850-H1041 AromaticContact CH2-CG 3.6Å; W850-H1041 AromaticContact CH2-ND1 3.91Å; W850-H1041 HydrophobicContact CZ2-CB 3.89Å; W850-H1041 AromaticContact CZ2-CD2 3.63Å; W850-H1041 AromaticContact CZ2-CG 3.53Å; W850-H1041 AromaticContact CZ2-ND1 3.95Å; W850-H1041 HydrophobicContact CZ3-CB 3.89Å; W850-H1041 AromaticContact CZ3-CG 3.78Å; W850-H1041 AromaticContact CZ3-ND1 3.6Å; W850-H1041 AromaticContact NE1-CD2 3.77Å; W850-H1041 AromaticContact NE1-CE1 3.8Å; W850-H1041 AromaticContact NE1-NE2 3.41Å; W850-H1041 PolarHBondContact NE1-NE2 3.34Å | ||
| 851 | E | 94.7 | Very high | 94.5 | Very high | 126 Ų | 126 | 59 Ų | 59 | 59% | 0.589 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | -121.2 | -175.8 | -62 | 167.6 | -150.3 | 0 | 0 | 111.3 | D849 K961 | D849-E851 PolarHBondContact O-N 3.27Å; D849-E851 PolarHBondContact OD1-N 3.43Å; E851-K961 IonicContact OE1-NZ 3.77Å; E851-K961 PolarHBondContact OE1-NZ 2.8Å; E851-K961 IonicContact OE2-NZ 3.71Å |
| 852 | D | 92 | Very high | 94.4 | Very high | 142 Ų | 142 | 61 Ų | 61 | 76% | 0.759 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | 24.8 | 177.3 | 55.9 | -31.5 | 0 | 0 | 0 | 113.1 | W850 | W850-D852 PolarHBondContact O-N 3.19Š|
| 853 | D | 97 | Very high | 94.5 | Very high | 32 Ų | 32 | 60.3 Ų | 60.3 | 17% | 0.171 | 32% | 0.321 | C | S | . | . | trans | -56.2 | 139.1 | 177.4 | -173.2 | 64.7 | 0 | 0 | 0 | 112.6 | W850 K961 H964 H1041 | W850-D853 HydrophobicContact CB-CB 4.28Å; W850-D853 HydrophobicContact CE3-CB 3.91Å; W850-D853 WeakPolarHBondContact O-CB 3.37Å; W850-D853 PolarHBondContact O-N 2.91Å; D853-K961 HydrophobicContact CB-CG 4.21Å; D853-H964 WeakPolarHBondContact OD1-CB 3.36Å; D853-H964 IonicContact OD1-CG 3.41Å; D853-H964 IonicContact OD1-ND1 2.73Å; D853-H964 PolarHBondContact OD1-ND1 3.36Å; D853-H964 VanDerWaalsContact OD1-ND1 3.1Å; D853-H964 IonicContact OD2-CE1 3.25Å; D853-H964 IonicContact OD2-ND1 2.78Å; D853-H964 PolarHBondContact OD2-ND1 2.83Å; D853-H1041 IonicContact OD2-CE1 3.76Å; D853-H1041 IonicContact OD2-CG 3.06Å; D853-H1041 IonicContact OD2-ND1 3.21Å; D853-H1041 PolarHBondContact OD2-ND1 3Å | ||
| 854 | A | 93.6 | Very high | 94.6 | Very high | 65 Ų | 65 | 60.3 Ų | 60.3 | 54% | 0.537 | 32% | 0.321 | S | S | . | . | trans | -144.6 | 136.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 855 | P | 95.2 | Very high | 94.8 | Very high | 58 Ų | 58 | 59.6 Ų | 59.6 | 38% | 0.377 | 32% | 0.316 | S | S | . | . | trans | -62.8 | 132.1 | -179.5 | 22.5 | -31.2 | 0 | 0 | 0 | 110.8 | R857 D1043 | P855-R857 VanDerWaalsContact C-N 3.3Å; P855-R857 HydrophobicContact CB-CG 4.19Å; P855-R857 HydrophobicContact CG-CG 4.33Å; P855-R857 WeakPolarHBondContact O-CG 3.37Å; P855-R857 PolarHBondContact O-N 3.24Å; P855-D1043 VanDerWaalsContact CB-OD1 3.31Å; P855-D1043 WeakPolarHBondContact CB-OD1 3.34Å | ||
| 856 | P | 97 | Very high | 95.2 | Very high | 39 Ų | 39 | 56.4 Ų | 56.4 | 25% | 0.253 | 30% | 0.297 | S | S | . | . | trans | -60.9 | -32.9 | -174.5 | -25.7 | 33.7 | 0 | 0 | 0 | 114.7 | T858 H964 E969 | P856-T858 VanDerWaalsContact C-N 3.34Å; P856-T858 PolarHBondContact O-N 3.42Å; P856-H964 VanDerWaalsContact CD-CD2 3.49Å; P856-H964 WeakPolarHBondContact CD-CD2 3.5Å; P856-H964 HydrophobicContact CG-CB 4.37Å; P856-E969 HydrophobicContact CB-CG 3.9Å; P856-E969 HydrophobicContact CG-CG 4.08Å | ||
| 857 | R | 96.4 | Very high | 95.8 | Very high | 146 Ų | 146 | 54.9 Ų | 54.9 | 55% | 0.551 | 29% | 0.289 | S | S | * | . | trans | 50.6 | 48.5 | 178.3 | -58.6 | -125 | -178.5 | -173.8 | 0.5 | 113.4 | P855 P859 E969 | P855-R857 VanDerWaalsContact C-N 3.3Å; P855-R857 HydrophobicContact CB-CG 4.19Å; P855-R857 HydrophobicContact CG-CG 4.33Å; P855-R857 WeakPolarHBondContact O-CG 3.37Å; P855-R857 PolarHBondContact O-N 3.24Å; R857-P859 WeakPolarHBondContact O-CD 3.29Å; R857-E969 WeakPolarHBondContact CA-OE1 3.37Å; R857-E969 PolarHBondContact N-OE1 3.09Å | ||
| 858 | T | 97.6 | Very high | 96.3 | Very high | 24 Ų | 24 | 47.8 Ų | 47.8 | 15% | 0.147 | 26% | 0.256 | C | S | . | . | trans | -61.1 | 124.1 | 177.6 | -61.2 | 0 | 0 | 0 | 0 | 109.3 | P856 T863 T906 E969 K1079 | P856-T858 VanDerWaalsContact C-N 3.34Å; P856-T858 PolarHBondContact O-N 3.42Å; T858-T863 PolarHBondContact O-OG1 2.88Å; T858-T906 HydrophobicContact CG2-CG2 4.25Å; T858-E969 PolarHBondContact N-OE1 3.05Å; T858-K1079 WeakPolarHBondContact O-CE 3.45Å; T858-K1079 PolarHBondContact O-NZ 3.39Å | ||
| 859 | P | 97 | Very high | 96.5 | Very high | 90 Ų | 90 | 47 Ų | 47 | 58% | 0.584 | 25% | 0.254 | S | S | * | . | trans | -56.4 | 142.2 | 178.2 | -25.9 | 34.2 | 0 | 0 | 0 | 112.1 | R857 G861 S862 T863 | R857-P859 WeakPolarHBondContact O-CD 3.29Å; P859-G861 VanDerWaalsContact C-N 3.34Å; P859-G861 PolarHBondContact O-N 3.44Å; P859-S862 CarbonylContact O-C 3.52Å; P859-S862 WeakPolarHBondContact O-CA 3Å; P859-S862 PolarHBondContact O-N 3.38Å; P859-T863 PolarHBondContact O-N 2.86Å; P859-T863 VanDerWaalsContact O-N 3.14Å; P859-T863 PolarHBondContact O-OG1 2.83Å | ||
| 860 | W | 96.6 | Very high | 96.7 | Very high | 56 Ų | 56 | 42 Ų | 42 | 21% | 0.212 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -48.9 | -47.5 | -177.3 | -90 | 110.8 | 0 | 0 | 0 | 114.4 | S862 T863 K1079 I1081 A1102 I1148 T1221 | W860-S862 PolarHBondContact O-N 3.2Å; W860-S862 VanDerWaalsContact O-N 3.16Å; W860-T863 WeakPolarHBondContact CA-OG1 3.37Å; W860-T863 VanDerWaalsContact O-CB 3.27Å; W860-T863 WeakPolarHBondContact O-CB 3.35Å; W860-T863 PolarHBondContact O-N 2.98Å; W860-T863 PolarHBondContact O-OG1 2.56Å; W860-K1079 HydrophobicContact CH2-CB 3.98Å; W860-K1079 HydrophobicContact CH2-CD 4.19Å; W860-K1079 HydrophobicContact CH2-CG 4.14Å; W860-K1079 HydrophobicContact CZ2-CB 3.66Å; W860-K1079 HydrophobicContact CZ2-CD 4.11Å; W860-K1079 HydrophobicContact CZ2-CG 3.64Å; W860-K1079 HydrophobicContact CZ3-CD 4.43Å; W860-I1081 HydrophobicContact CH2-CD1 4.25Å; W860-I1081 HydrophobicContact CH2-CG1 3.86Å; W860-A1102 HydrophobicContact CH2-CB 3.73Å; W860-A1102 HydrophobicContact CZ2-CB 4.21Å; W860-A1102 HydrophobicContact CZ3-CB 4.15Å; W860-I1148 HydrophobicContact CH2-CD1 4.21Å; W860-I1148 HydrophobicContact CZ3-CD1 3.62Å; W860-T1221 HydrophobicContact CE3-CG2 4.12Å; W860-T1221 HydrophobicContact CZ3-CG2 4.14Å |
| 861 | G | 93.7 | Very high | 96.7 | Very high | 5 Ų | 5 | 42 Ų | 42 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -63.3 | -23.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | P859 V1277 | P859-G861 VanDerWaalsContact C-N 3.34Å; P859-G861 PolarHBondContact O-N 3.44Å; G861-V1277 CarbonylContact C-O 3.59Å; G861-V1277 WeakPolarHBondContact CA-O 3.39Å; G861-V1277 WeakPolarHBondContact O-CA 3.33Å |
| 862 | S | 96.8 | Very high | 96.8 | Very high | 43 Ų | 43 | 36.1 Ų | 36.1 | 30% | 0.301 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -95.7 | -2.3 | 176.1 | -60.8 | 0 | 0 | 0 | 0 | 113.5 | P859 W860 | P859-S862 CarbonylContact O-C 3.52Å; P859-S862 WeakPolarHBondContact O-CA 3Å; P859-S862 PolarHBondContact O-N 3.38Å; W860-S862 PolarHBondContact O-N 3.2Å; W860-S862 VanDerWaalsContact O-N 3.16Å |
| 863 | T | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -76.5 | 134.4 | -175.7 | -58.3 | 0 | 0 | 0 | 0 | 110.8 | T858 P859 W860 I865 T906 A907 K1079 T1221 | T858-T863 PolarHBondContact O-OG1 2.88Å; P859-T863 PolarHBondContact O-N 2.86Å; P859-T863 VanDerWaalsContact O-N 3.14Å; P859-T863 PolarHBondContact O-OG1 2.83Å; W860-T863 WeakPolarHBondContact CA-OG1 3.37Å; W860-T863 VanDerWaalsContact O-CB 3.27Å; W860-T863 WeakPolarHBondContact O-CB 3.35Å; W860-T863 PolarHBondContact O-N 2.98Å; W860-T863 PolarHBondContact O-OG1 2.56Å; T863-I865 HydrophobicContact CG2-CG1 3.89Å; T863-T906 WeakPolarHBondContact CA-OG1 3.48Å; T863-A907 HydrophobicContact CG2-CB 4.07Å; T863-K1079 PolarHBondContact OG1-NZ 2.77Å; T863-T1221 HydrophobicContact CG2-CG2 4.08Å | ||
| 864 | I | 98.5 | Very high | 97 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | trans | -125.8 | 113.2 | 170 | -48.3 | -63.2 | 0 | 0 | 0 | 107 | I905 T906 A907 P1222 I1267 R1270 | I864-I905 HydrophobicContact CG2-CD1 3.91Å; I864-T906 PolarHBondContact N-OG1 2.97Å; I864-T906 PolarHBondContact O-N 3.14Å; I864-T906 PolarHBondContact O-OG1 3.35Å; I864-A907 PolarHBondContact O-N 3.13Å; I864-A907 VanDerWaalsContact O-N 3.11Å; I864-P1222 HydrophobicContact CD1-CG 3.48Å; I864-P1222 VanDerWaalsContact CD1-CG 3.48Å; I864-I1267 HydrophobicContact CG1-CG2 4.1Å; I864-I1267 HydrophobicContact CG2-CD1 4.34Å; I864-I1267 HydrophobicContact CG2-CG1 4.4Å; I864-I1267 HydrophobicContact CG2-CG2 4.49Å; I864-R1270 VanDerWaalsContact CD1-CD 3.45Å | ||
| 865 | I | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 136.8 | -176.7 | -56.7 | 176.2 | 0 | 0 | 0 | 109.1 | T863 A907 E909 I1081 I1148 T1221 P1222 M1223 L1224 | T863-I865 HydrophobicContact CG2-CG1 3.89Å; I865-A907 WeakPolarHBondContact CA-O 3.27Å; I865-A907 HydrophobicContact CG1-CB 4.44Å; I865-E909 HydrophobicContact CG2-CB 3.65Å; I865-E909 WeakPolarHBondContact CG2-OE2 3.4Å; I865-I1081 HydrophobicContact CD1-CD1 3.6Å; I865-I1148 HydrophobicContact CD1-CD1 4.17Å; I865-I1148 HydrophobicContact CD1-CG2 4.33Å; I865-T1221 HydrophobicContact CD1-CG2 4.03Å; I865-T1221 HydrophobicContact CG1-CG2 4.22Å; I865-P1222 PolarHBondContact N-O 3.41Å; I865-M1223 HydrophobicContact CB-CB 4.12Å; I865-M1223 HydrophobicContact CB-CG 4.04Å; I865-M1223 HydrophobicContact CG2-CB 4.45Å; I865-M1223 HydrophobicContact CG2-CG 3.85Å; I865-M1223 WeakPolarHBondContact O-CA 3.44Å; I865-L1224 PolarHBondContact O-N 3.31Å |
| 866 | Y | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 106.9 | 172.1 | -168.1 | -100.1 | 0 | 0 | 0 | 108.9 | A868 L873 L900 L903 I905 A907 L908 E909 L1224 A1226 E1229 | Y866-A868 HydrophobicContact CD1-CB 4.08Å; Y866-A868 HydrophobicContact CE1-CB 4.07Å; Y866-L873 HydrophobicContact CE1-CD1 4.03Å; Y866-L900 HydrophobicContact CD1-CD2 3.81Å; Y866-L900 HydrophobicContact CE1-CD2 4.04Å; Y866-L900 HydrophobicContact CG-CD2 4.2Å; Y866-L903 HydrophobicContact CE2-CD1 4.36Å; Y866-I905 HydrophobicContact CD2-CD1 3.82Å; Y866-I905 HydrophobicContact CD2-CG1 4.03Å; Y866-I905 HydrophobicContact CG-CD1 4.21Å; Y866-I905 HydrophobicContact CG-CG1 4.12Å; Y866-I905 HydrophobicContact CG-CG2 4.47Å; Y866-A907 PolarHBondContact N-O 3.4Å; Y866-L908 HydrophobicContact CD1-CD1 3.83Å; Y866-E909 PolarHBondContact O-N 3.19Å; Y866-L1224 CarbonylContact C-O 3.59Å; Y866-L1224 WeakPolarHBondContact CA-O 3.37Å; Y866-L1224 HydrophobicContact CD2-CB 4.3Å; Y866-L1224 HydrophobicContact CD2-CD2 4.03Å; Y866-L1224 HydrophobicContact CE2-CD2 4.03Å; Y866-A1226 HydrophobicContact CD1-CB 4.25Å; Y866-A1226 HydrophobicContact CE1-CB 3.42Å; Y866-A1226 VanDerWaalsContact CE1-CB 3.42Å; Y866-A1226 HydrophobicContact CE2-CB 4.29Å; Y866-A1226 VanDerWaalsContact CZ-CA 3.47Å; Y866-A1226 VanDerWaalsContact CZ-CB 3.45Å; Y866-A1226 WeakPolarHBondContact OH-CA 3.41Å; Y866-A1226 WeakPolarHBondContact OH-CB 3.27Å; Y866-E1229 VanDerWaalsContact CE2-OE1 3.3Å; Y866-E1229 WeakPolarHBondContact CE2-OE1 3.34Å; Y866-E1229 VanDerWaalsContact CZ-OE1 3.3Å; Y866-E1229 PolarHBondContact OH-OE1 2.85Å |
| 867 | E | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 121.7 | -179.7 | -177 | -170.5 | -133.1 | 0 | 0 | 109.5 | E909 L911 W1104 A1153 H1154 M1223 L1224 L1225 A1226 | E867-E909 CarbonylContact C-O 3.58Å; E867-E909 WeakPolarHBondContact CA-O 3.11Å; E867-L911 HydrophobicContact CG-CD1 3.91Å; E867-W1104 WeakPolarHBondContact OE1-CZ2 3.48Å; E867-A1153 VanDerWaalsContact OE2-CA 3.31Å; E867-A1153 WeakPolarHBondContact OE2-CA 3.49Å; E867-H1154 IonicContact OE1-CE1 2.93Å; E867-H1154 IonicContact OE1-CG 3.94Å; E867-H1154 IonicContact OE1-ND1 3.25Å; E867-H1154 PolarHBondContact OE1-ND1 2.87Å; E867-H1154 PolarHBondContact OE2-N 2.77Å; E867-H1154 IonicContact OE2-ND1 2.65Å; E867-M1223 HydrophobicContact CB-CE 4.39Å; E867-M1223 HydrophobicContact CB-CG 4.43Å; E867-M1223 HydrophobicContact CB-SD 4.43Å; E867-L1224 PolarHBondContact N-O 2.98Å; E867-L1225 WeakPolarHBondContact OE2-CD1 3.29Å; E867-A1226 WeakPolarHBondContact O-CB 3.24Å; E867-A1226 PolarHBondContact O-N 2.87Å |
| 868 | A | 98.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 147.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y866 L873 L908 E909 L910 L911 A1226 | Y866-A868 HydrophobicContact CD1-CB 4.08Å; Y866-A868 HydrophobicContact CE1-CB 4.07Å; A868-L873 HydrophobicContact CB-CB 4.47Å; A868-L873 HydrophobicContact CB-CD2 3.95Å; A868-L908 HydrophobicContact CB-CD1 3.97Å; A868-E909 PolarHBondContact N-O 3.36Å; A868-L910 WeakPolarHBondContact O-CA 3.38Å; A868-L911 PolarHBondContact O-N 3.4Å; A868-A1226 HydrophobicContact CB-CB 3.79Å |
| 869 | H | 97.9 | Very high | 97.1 | Very high | 16 Ų | 16 | 30.4 Ų | 30.4 | 7% | 0.074 | 16% | 0.159 | C | C | . | . | trans | -89.6 | 130.8 | 169.2 | -173.8 | -70.4 | 0 | 0 | 0 | 111 | K871 G872 L873 L911 Y930 Y945 | H869-K871 VanDerWaalsContact CE1-CB 3.5Å; H869-K871 WeakPolarHBondContact CE1-CB 3.44Å; H869-K871 PolarHBondContact ND1-N 3.21Å; H869-K871 PolarHBondContact O-N 3.2Å; H869-G872 PolarHBondContact ND1-N 3.45Å; H869-G872 PolarHBondContact O-N 3.44Å; H869-L873 WeakPolarHBondContact O-CB 3.33Å; H869-L873 PolarHBondContact O-N 2.91Å; H869-L911 HydrophobicContact CB-CD2 4.4Å; H869-Y930 AromaticContact CD2-CE1 3.92Å; H869-Y930 AromaticContact CD2-CZ 3.71Å; H869-Y930 AromaticContact CE1-CE2 3.44Å; H869-Y930 VanDerWaalsContact CE1-CE2 3.44Å; H869-Y930 WeakPolarHBondContact CE1-CE2 3.46Å; H869-Y930 AromaticContact CE1-CZ 3.79Å; H869-Y930 AromaticContact CG-CZ 3.62Å; H869-Y930 AromaticContact ND1-CE2 3.77Å; H869-Y930 AromaticContact ND1-CZ 3.68Å; H869-Y930 PolarHBondContact ND1-OH 2.92Å; H869-Y930 AromaticContact NE2-CD2 3.88Å; H869-Y930 AromaticContact NE2-CE2 3.6Å; H869-Y930 AromaticContact NE2-CZ 3.81Å; H869-Y930 PolarHBondContact NE2-O 3.18Å; H869-Y945 AromaticContact CE1-CE1 3.8Å; H869-Y945 AromaticContact CE1-CZ 3.6Å; H869-Y945 PolarHBondContact CE1-OH 3.38Å; H869-Y945 VanDerWaalsContact CE1-OH 3.28Å; H869-Y945 AromaticContact NE2-CZ 3.75Å; H869-Y945 PolarHBondContact NE2-OH 3.31Å | ||
| 870 | V | 97.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -50.9 | -53 | -177.4 | 177.3 | 0 | 0 | 0 | 0 | 112.3 | T874 Y888 L910 V913 Y945 | V870-T874 PolarHBondContact O-OG1 2.93Å; V870-Y888 HydrophobicContact CG1-CD1 3.96Å; V870-Y888 HydrophobicContact CG1-CE1 4.26Å; V870-Y888 HydrophobicContact CG2-CD1 4.24Å; V870-Y888 HydrophobicContact CG2-CE1 4.06Å; V870-L910 HydrophobicContact CG2-CD1 4.21Å; V870-L910 HydrophobicContact CG2-CD2 3.99Å; V870-V913 HydrophobicContact CG2-CG1 3.98Å; V870-Y945 HydrophobicContact CB-CD2 4.3Å; V870-Y945 HydrophobicContact CB-CG 4.37Å; V870-Y945 HydrophobicContact CG1-CG 4.32Å; V870-Y945 HydrophobicContact CG2-CD2 4.48Å |
| 871 | K | 97 | Very high | 97.1 | Very high | 37 Ų | 37 | 26.1 Ų | 26.1 | 16% | 0.161 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.7 | -59.4 | 177.4 | -168.7 | 176.8 | 176.9 | -173.5 | 0 | 113.1 | H869 L873 T874 Y875 Y945 D1244 | H869-K871 VanDerWaalsContact CE1-CB 3.5Å; H869-K871 WeakPolarHBondContact CE1-CB 3.44Å; H869-K871 PolarHBondContact ND1-N 3.21Å; H869-K871 PolarHBondContact O-N 3.2Å; K871-L873 PolarHBondContact O-N 2.84Å; K871-L873 VanDerWaalsContact O-N 3.16Å; K871-T874 PolarHBondContact O-N 3.47Å; K871-Y875 HydrophobicContact CG-CD2 4.19Å; K871-Y875 HydrophobicContact CG-CG 4.27Å; K871-Y875 VanDerWaalsContact O-CB 3.23Å; K871-Y875 WeakPolarHBondContact O-CB 3.42Å; K871-Y875 PolarHBondContact O-N 2.88Å; K871-Y945 HydrophobicContact CB-CD1 4.38Å; K871-Y945 HydrophobicContact CB-CE1 4.21Å; K871-D1244 WeakPolarHBondContact CD-OD1 3.4Å; K871-D1244 WeakPolarHBondContact CE-OD1 3.27Å; K871-D1244 IonicContact NZ-OD1 3.48Å; K871-D1244 PolarHBondContact NZ-OD1 3.42Å; K871-D1244 IonicContact NZ-OD2 3.28Å; K871-D1244 PolarHBondContact NZ-OD2 2.94Å |
| 872 | G | 96.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -53.4 | -35.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | H869 Y930 L1250 | H869-G872 PolarHBondContact ND1-N 3.45Å; H869-G872 PolarHBondContact O-N 3.44Å; G872-Y930 WeakPolarHBondContact CA-OH 3.47Å; G872-Y930 PolarHBondContact N-OH 3.39Å; G872-L1250 PolarHBondContact O-N 2.84Å |
| 873 | L | 96.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.6 | -40.5 | 178.1 | -177.1 | 64.1 | 0 | 0 | 0 | 112.4 | Y866 A868 H869 K871 L891 M896 A1226 L1250 W1252 | Y866-L873 HydrophobicContact CE1-CD1 4.03Å; A868-L873 HydrophobicContact CB-CB 4.47Å; A868-L873 HydrophobicContact CB-CD2 3.95Å; H869-L873 WeakPolarHBondContact O-CB 3.33Å; H869-L873 PolarHBondContact O-N 2.91Å; K871-L873 PolarHBondContact O-N 2.84Å; K871-L873 VanDerWaalsContact O-N 3.16Å; L873-L891 HydrophobicContact CD2-CD1 4.1Å; L873-M896 HydrophobicContact CD1-CE 3.84Å; L873-M896 HydrophobicContact CD2-CE 3.73Å; L873-M896 HydrophobicContact CG-CE 3.6Å; L873-A1226 HydrophobicContact CD1-CB 4.35Å; L873-L1250 HydrophobicContact CD1-CD1 3.68Å; L873-W1252 HydrophobicContact CD1-CZ2 4.1Å; L873-W1252 WeakPolarHBondContact O-CZ2 3.35Å; L873-W1252 PolarHBondContact O-NE1 3.38Å |
| 874 | T | 96.9 | Very high | 97 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -111.9 | -17.8 | -165.4 | 63.7 | 0 | 0 | 0 | 0 | 114.6 | V870 K871 L876 H877 I880 G886 A890 M896 | V870-T874 PolarHBondContact O-OG1 2.93Å; K871-T874 PolarHBondContact O-N 3.47Å; T874-L876 PolarHBondContact O-N 3.49Å; T874-H877 PolarHBondContact O-N 3.31Å; T874-I880 HydrophobicContact CG2-CD1 4.24Å; T874-G886 WeakPolarHBondContact OG1-CA 3.43Å; T874-G886 PolarHBondContact OG1-N 3.26Å; T874-A890 HydrophobicContact CG2-CB 4.07Å; T874-M896 HydrophobicContact CG2-CG 3.97Å; T874-M896 HydrophobicContact CG2-SD 4.17Å |
| 875 | Y | 97 | Very high | 97 | Very high | 90 Ų | 90 | 40 Ų | 40 | 35% | 0.353 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -34.5 | -166.7 | -168.9 | -106.5 | 0 | 0 | 0 | 114.5 | K871 R885 W1249 | K871-Y875 HydrophobicContact CG-CD2 4.19Å; K871-Y875 HydrophobicContact CG-CG 4.27Å; K871-Y875 VanDerWaalsContact O-CB 3.23Å; K871-Y875 WeakPolarHBondContact O-CB 3.42Å; K871-Y875 PolarHBondContact O-N 2.88Å; Y875-R885 HydrophobicContact CD2-CB 4.32Å; Y875-R885 WeakPolarHBondContact O-CD 3.38Å; Y875-W1249 AromaticContact CD1-CD2 3.73Å; Y875-W1249 HydrophobicContact CD1-CD2 3.73Å; Y875-W1249 AromaticContact CD1-CE3 3.58Å; Y875-W1249 HydrophobicContact CD1-CE3 3.58Å; Y875-W1249 HydrophobicContact CD1-CG 4.44Å; Y875-W1249 HydrophobicContact CD1-CH2 4.04Å; Y875-W1249 HydrophobicContact CD1-CZ2 4.18Å; Y875-W1249 AromaticContact CD1-CZ3 3.75Å; Y875-W1249 HydrophobicContact CD1-CZ3 3.75Å; Y875-W1249 HydrophobicContact CE1-CD2 4.3Å; Y875-W1249 AromaticContact CE1-CE3 3.86Å; Y875-W1249 HydrophobicContact CE1-CE3 3.86Å; Y875-W1249 AromaticContact CE1-CH2 3.6Å; Y875-W1249 HydrophobicContact CE1-CH2 3.6Å; Y875-W1249 HydrophobicContact CE1-CZ2 4.06Å; Y875-W1249 AromaticContact CE1-CZ3 3.49Å; Y875-W1249 HydrophobicContact CE1-CZ3 3.49Å; Y875-W1249 VanDerWaalsContact CE1-CZ3 3.49Å |
| 876 | L | 96.5 | Very high | 96.8 | Very high | 55 Ų | 55 | 40.1 Ų | 40.1 | 29% | 0.288 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 6.3 | 179.3 | -62.6 | -179.4 | 0 | 0 | 0 | 113.5 | T874 P878 W1249 L1250 | T874-L876 PolarHBondContact O-N 3.49Å; L876-P878 WeakPolarHBondContact O-CD 3.25Å; L876-W1249 HydrophobicContact CD1-CB 3.75Å; L876-W1249 HydrophobicContact CD1-CE3 4.31Å; L876-W1249 HydrophobicContact CD2-CE3 4.2Å; L876-W1249 HydrophobicContact CG-CB 4.06Å; L876-W1249 HydrophobicContact CG-CE3 4.28Å; L876-L1250 WeakPolarHBondContact CB-O 3.44Å |
| 877 | H | 96.1 | Very high | 96.8 | Very high | 10 Ų | 10 | 40.6 Ų | 40.6 | 5% | 0.046 | 21% | 0.206 | C | C | . | . | trans | -69.4 | 119.3 | -176.3 | -163.9 | -61 | 0 | 0 | 0 | 111.1 | T874 E879 I880 R885 V895 W1252 | T874-H877 PolarHBondContact O-N 3.31Å; H877-E879 IonicContact CE1-OE2 3.29Å; H877-E879 PolarHBondContact ND1-N 3.47Å; H877-E879 PolarHBondContact O-N 2.79Å; H877-I880 HydrophobicContact CB-CB 4.31Å; H877-I880 HydrophobicContact CB-CD1 3.71Å; H877-I880 HydrophobicContact CB-CG1 3.87Å; H877-I880 PolarHBondContact O-N 3.07Å; H877-R885 PolarHBondContact O-NE 3.49Å; H877-R885 VanDerWaalsContact O-NE 3.16Å; H877-R885 PolarHBondContact O-NH2 3.37Å; H877-R885 VanDerWaalsContact O-NH2 3.13Å; H877-V895 WeakPolarHBondContact CE1-CG1 3.44Å; H877-W1252 HydrophobicContact CB-CG 4.32Å; H877-W1252 AromaticContact CD2-CD2 3.42Å; H877-W1252 VanDerWaalsContact CD2-CD2 3.42Å; H877-W1252 AromaticContact CD2-CE2 3.43Å; H877-W1252 VanDerWaalsContact CD2-CE2 3.43Å; H877-W1252 AromaticContact CD2-CE3 3.71Å; H877-W1252 AromaticContact CD2-CG 3.92Å; H877-W1252 AromaticContact CD2-CZ2 3.74Å; H877-W1252 AromaticContact CD2-CZ3 3.99Å; H877-W1252 AromaticContact CD2-NE1 3.87Å; H877-W1252 AromaticContact NE2-CD2 3.98Å; H877-W1252 AromaticContact NE2-CE3 3.8Å; H877-W1252 AromaticContact NE2-CZ3 3.99Å | ||
| 878 | P | 95.4 | Very high | 96.8 | Very high | 86 Ų | 86 | 40.6 Ų | 40.6 | 56% | 0.558 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -32 | -169.9 | 25 | -34.1 | 0 | 0 | 0 | 113.6 | L876 R885 | L876-P878 WeakPolarHBondContact O-CD 3.25Å; P878-R885 PolarHBondContact O-NH2 2.95Å |
| 879 | E | 96.1 | Very high | 96.7 | Very high | 142 Ų | 142 | 45.7 Ų | 45.7 | 66% | 0.664 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -5.7 | -178.5 | -58.4 | -179.1 | 108.6 | 0 | 0 | 114.5 | H877 V895 | H877-E879 IonicContact CE1-OE2 3.29Å; H877-E879 PolarHBondContact ND1-N 3.47Å; H877-E879 PolarHBondContact O-N 2.79Å; E879-V895 HydrophobicContact CB-CG1 4.24Å; E879-V895 HydrophobicContact CB-CG2 4.13Å |
| 880 | I | 97 | Very high | 96.7 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -87.4 | 135 | 174.1 | -62 | -177.7 | 0 | 0 | 0 | 108.5 | T874 H877 V882 I884 R885 A890 M896 | T874-I880 HydrophobicContact CG2-CD1 4.24Å; H877-I880 HydrophobicContact CB-CB 4.31Å; H877-I880 HydrophobicContact CB-CD1 3.71Å; H877-I880 HydrophobicContact CB-CG1 3.87Å; H877-I880 PolarHBondContact O-N 3.07Å; I880-V882 PolarHBondContact O-N 3.18Å; I880-I884 HydrophobicContact CG2-CD1 4.07Å; I880-I884 HydrophobicContact CG2-CG1 3.69Å; I880-R885 HydrophobicContact CB-CG 4.12Å; I880-R885 HydrophobicContact CG2-CG 3.8Å; I880-R885 VanDerWaalsContact O-CZ 3.3Å; I880-R885 PolarHBondContact O-NE 2.76Å; I880-R885 PolarHBondContact O-NH2 3.13Å; I880-A890 HydrophobicContact CD1-CB 4.23Å; I880-A890 HydrophobicContact CG2-CB 3.93Å; I880-M896 HydrophobicContact CD1-CG 3.77Å; I880-M896 HydrophobicContact CD1-SD 3.97Å |
| 881 | P | 97 | Very high | 96.7 | Very high | 55 Ų | 55 | 45 Ų | 45 | 36% | 0.357 | 23% | 0.225 | S | C | . | . | trans | -56.3 | 134.8 | 174.8 | -24.2 | 33 | 0 | 0 | 0 | 112.2 | E883 I884 R885 | P881-E883 VanDerWaalsContact C-N 3.29Å; P881-E883 HydrophobicContact CB-CG 4.4Å; P881-E883 PolarHBondContact O-N 2.85Å; P881-I884 HydrophobicContact CB-CG1 4.26Å; P881-I884 HydrophobicContact CG-CD1 4.34Å; P881-I884 HydrophobicContact CG-CG1 4.49Å; P881-I884 WeakPolarHBondContact O-CG1 3.35Å; P881-I884 PolarHBondContact O-N 2.73Å; P881-I884 VanDerWaalsContact O-N 3.11Å; P881-R885 WeakPolarHBondContact O-CG 3.38Å; P881-R885 PolarHBondContact O-N 3.07Å | ||
| 882 | V | 95.8 | Very high | 96.7 | Very high | 102 Ų | 102 | 44 Ų | 44 | 62% | 0.618 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -54.4 | -45 | -172.5 | 172.6 | 0 | 0 | 0 | 0 | 112.1 | I880 I884 R885 | I880-V882 PolarHBondContact O-N 3.18Å; V882-I884 PolarHBondContact O-N 3.03Å; V882-I884 VanDerWaalsContact O-N 3.12Å; V882-R885 PolarHBondContact O-N 2.86Å |
| 883 | E | 95.2 | Very high | 96.8 | Very high | 155 Ų | 155 | 46 Ų | 46 | 72% | 0.724 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -59.6 | -17.8 | -179.4 | 35.1 | -87.9 | -160.8 | 0 | 0 | 116 | P881 | P881-E883 VanDerWaalsContact C-N 3.29Å; P881-E883 HydrophobicContact CB-CG 4.4Å; P881-E883 PolarHBondContact O-N 2.85Å |
| 884 | I | 96.8 | Very high | 96.9 | Very high | 22 Ų | 22 | 49.7 Ų | 49.7 | 11% | 0.113 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -113.7 | -3.2 | 178.4 | 71.5 | 171.7 | 0 | 0 | 0 | 113 | I880 P881 V882 G886 T887 K889 A890 | I880-I884 HydrophobicContact CG2-CD1 4.07Å; I880-I884 HydrophobicContact CG2-CG1 3.69Å; P881-I884 HydrophobicContact CB-CG1 4.26Å; P881-I884 HydrophobicContact CG-CD1 4.34Å; P881-I884 HydrophobicContact CG-CG1 4.49Å; P881-I884 WeakPolarHBondContact O-CG1 3.35Å; P881-I884 PolarHBondContact O-N 2.73Å; P881-I884 VanDerWaalsContact O-N 3.11Å; V882-I884 PolarHBondContact O-N 3.03Å; V882-I884 VanDerWaalsContact O-N 3.12Å; I884-G886 PolarHBondContact O-N 2.75Å; I884-T887 WeakPolarHBondContact O-CB 3.16Å; I884-T887 WeakPolarHBondContact O-CG2 3.24Å; I884-T887 PolarHBondContact O-N 3.01Å; I884-T887 PolarHBondContact O-OG1 3.49Å; I884-K889 HydrophobicContact CG2-CD 4.12Å; I884-A890 HydrophobicContact CG1-CB 4.33Å; I884-A890 WeakPolarHBondContact O-CB 3.28Å |
| 885 | R | 96.7 | Very high | 96.9 | Very high | 62 Ų | 62 | 51.2 Ų | 51.2 | 23% | 0.234 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 137.1 | -176.9 | -74.9 | -175 | -165.4 | -177.5 | -4.7 | 111.4 | Y875 H877 P878 I880 P881 V882 | Y875-R885 HydrophobicContact CD2-CB 4.32Å; Y875-R885 WeakPolarHBondContact O-CD 3.38Å; H877-R885 PolarHBondContact O-NE 3.49Å; H877-R885 VanDerWaalsContact O-NE 3.16Å; H877-R885 PolarHBondContact O-NH2 3.37Å; H877-R885 VanDerWaalsContact O-NH2 3.13Å; P878-R885 PolarHBondContact O-NH2 2.95Å; I880-R885 HydrophobicContact CB-CG 4.12Å; I880-R885 HydrophobicContact CG2-CG 3.8Å; I880-R885 VanDerWaalsContact O-CZ 3.3Å; I880-R885 PolarHBondContact O-NE 2.76Å; I880-R885 PolarHBondContact O-NH2 3.13Å; P881-R885 WeakPolarHBondContact O-CG 3.38Å; P881-R885 PolarHBondContact O-N 3.07Å; V882-R885 PolarHBondContact O-N 2.86Å |
| 886 | G | 96.3 | Very high | 96.9 | Very high | 3 Ų | 3 | 47 Ų | 47 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | 12.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | T874 I884 | T874-G886 WeakPolarHBondContact OG1-CA 3.43Å; T874-G886 PolarHBondContact OG1-N 3.26Å; I884-G886 PolarHBondContact O-N 2.75Å |
| 887 | T | 97.9 | Very high | 97 | Very high | 9 Ų | 9 | 45.3 Ų | 45.3 | 6% | 0.055 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -116.8 | 164.9 | -175.1 | 71.9 | 0 | 0 | 0 | 0 | 113.1 | I884 K889 A890 L891 Y945 | I884-T887 WeakPolarHBondContact O-CB 3.16Å; I884-T887 WeakPolarHBondContact O-CG2 3.24Å; I884-T887 PolarHBondContact O-N 3.01Å; I884-T887 PolarHBondContact O-OG1 3.49Å; T887-K889 PolarHBondContact O-N 3.36Å; T887-K889 PolarHBondContact OG1-N 3.19Å; T887-A890 WeakPolarHBondContact O-CB 3.43Å; T887-A890 PolarHBondContact O-N 3.05Å; T887-A890 PolarHBondContact OG1-N 2.86Å; T887-L891 PolarHBondContact O-N 3.42Å; T887-L891 VanDerWaalsContact O-N 3.15Å; T887-Y945 CarbonylContact C-O 3.51Å; T887-Y945 WeakPolarHBondContact CA-O 3.46Å; T887-Y945 VanDerWaalsContact CB-O 3.25Å; T887-Y945 WeakPolarHBondContact CB-O 3.37Å |
| 888 | Y | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55 | -37.3 | 170.4 | -54.5 | -58.4 | 0 | 0 | 0 | 111.5 | V870 A890 L891 G892 V913 L941 H942 Y945 A946 A952 F956 A959 | V870-Y888 HydrophobicContact CG1-CD1 3.96Å; V870-Y888 HydrophobicContact CG1-CE1 4.26Å; V870-Y888 HydrophobicContact CG2-CD1 4.24Å; V870-Y888 HydrophobicContact CG2-CE1 4.06Å; Y888-A890 VanDerWaalsContact C-N 3.32Å; Y888-A890 PolarHBondContact O-N 2.68Å; Y888-L891 WeakPolarHBondContact O-CA 3.12Å; Y888-L891 WeakPolarHBondContact O-CB 3.47Å; Y888-L891 PolarHBondContact O-N 3.49Å; Y888-G892 PolarHBondContact O-N 2.77Å; Y888-V913 HydrophobicContact CE1-CB 4.19Å; Y888-V913 HydrophobicContact CE1-CG1 4Å; Y888-V913 PolarHBondContact OH-O 3.31Å; Y888-L941 HydrophobicContact CE1-CD2 4.29Å; Y888-L941 HydrophobicContact CE2-CB 4.29Å; Y888-L941 HydrophobicContact CE2-CD1 4.45Å; Y888-L941 HydrophobicContact CE2-CD2 4.27Å; Y888-H942 PolarHBondContact OH-O 2.49Å; Y888-Y945 WeakPolarHBondContact CD2-O 3.34Å; Y888-Y945 HydrophobicContact CE1-CD2 4.19Å; Y888-Y945 WeakPolarHBondContact CE2-O 3.31Å; Y888-Y945 VanDerWaalsContact CZ-CB 3.42Å; Y888-Y945 PolarHBondContact N-O 2.82Å; Y888-Y945 WeakPolarHBondContact OH-CD2 3.44Å; Y888-A946 HydrophobicContact CD2-CB 4.31Å; Y888-A952 HydrophobicContact CE2-CB 4.35Å; Y888-F956 HydrophobicContact CD1-CB 4.45Å; Y888-F956 AromaticContact CD1-CD2 3.56Å; Y888-F956 HydrophobicContact CD1-CD2 3.56Å; Y888-F956 HydrophobicContact CD1-CE2 4.33Å; Y888-F956 HydrophobicContact CD1-CG 4.47Å; Y888-F956 HydrophobicContact CD2-CB 4.17Å; Y888-F956 AromaticContact CE1-CD2 3.81Å; Y888-F956 HydrophobicContact CE1-CD2 3.81Å; Y888-F956 HydrophobicContact CE1-CE2 4.37Å; Y888-F956 HydrophobicContact CG-CB 4.08Å; Y888-F956 HydrophobicContact CG-CD2 4.03Å; Y888-A959 VanDerWaalsContact O-CB 3.28Å; Y888-A959 WeakPolarHBondContact O-CB 3.45Å |
| 889 | K | 97.3 | Very high | 97.2 | Very high | 108 Ų | 108 | 46.8 Ų | 46.8 | 47% | 0.47 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.4 | -35.1 | 176.1 | -166.5 | 170.7 | -173.6 | 170.3 | 0 | 113.2 | I884 T887 L891 H893 E955 | I884-K889 HydrophobicContact CG2-CD 4.12Å; T887-K889 PolarHBondContact O-N 3.36Å; T887-K889 PolarHBondContact OG1-N 3.19Å; K889-L891 VanDerWaalsContact C-N 3.34Å; K889-H893 PolarHBondContact O-N 2.53Å; K889-E955 HydrophobicContact CB-CB 4.48Å; K889-E955 HydrophobicContact CB-CG 4.27Å |
| 890 | A | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.9 | -32.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T874 I880 I884 T887 Y888 G892 H893 M896 | T874-A890 HydrophobicContact CG2-CB 4.07Å; I880-A890 HydrophobicContact CD1-CB 4.23Å; I880-A890 HydrophobicContact CG2-CB 3.93Å; I884-A890 HydrophobicContact CG1-CB 4.33Å; I884-A890 WeakPolarHBondContact O-CB 3.28Å; T887-A890 WeakPolarHBondContact O-CB 3.43Å; T887-A890 PolarHBondContact O-N 3.05Å; T887-A890 PolarHBondContact OG1-N 2.86Å; Y888-A890 VanDerWaalsContact C-N 3.32Å; Y888-A890 PolarHBondContact O-N 2.68Å; A890-G892 VanDerWaalsContact C-N 3.35Å; A890-H893 WeakPolarHBondContact O-CB 3.42Å; A890-H893 PolarHBondContact O-N 3.3Å; A890-H893 VanDerWaalsContact O-N 3.13Å; A890-M896 WeakPolarHBondContact O-CG 3.44Å |
| 891 | L | 97.2 | Very high | 97.3 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60 | -44.9 | 175.6 | -153.6 | 89.5 | 0 | 0 | 0 | 111.4 | L873 T887 Y888 K889 H893 L908 L910 A959 L963 | L873-L891 HydrophobicContact CD2-CD1 4.1Å; T887-L891 PolarHBondContact O-N 3.42Å; T887-L891 VanDerWaalsContact O-N 3.15Å; Y888-L891 WeakPolarHBondContact O-CA 3.12Å; Y888-L891 WeakPolarHBondContact O-CB 3.47Å; Y888-L891 PolarHBondContact O-N 3.49Å; K889-L891 VanDerWaalsContact C-N 3.34Å; L891-H893 PolarHBondContact O-N 2.78Å; L891-L908 HydrophobicContact CD1-CD2 4.23Å; L891-L908 HydrophobicContact CD2-CD2 3.77Å; L891-L908 HydrophobicContact CG-CD2 4.02Å; L891-L910 HydrophobicContact CD1-CD2 4.02Å; L891-L910 HydrophobicContact CD2-CD1 3.86Å; L891-L910 HydrophobicContact CD2-CD2 4.04Å; L891-A959 HydrophobicContact CB-CB 4.48Å; L891-L963 HydrophobicContact CD2-CD1 4.12Å |
| 892 | G | 96.9 | Very high | 97.3 | Very high | 15 Ų | 15 | 48.8 Ų | 48.8 | 16% | 0.155 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 3.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115 | Y888 A890 I897 | Y888-G892 PolarHBondContact O-N 2.77Å; A890-G892 VanDerWaalsContact C-N 3.35Å; G892-I897 VanDerWaalsContact O-CD1 3.29Å; G892-I897 WeakPolarHBondContact O-CD1 3.3Å |
| 893 | H | 98.2 | Very high | 97.4 | Very high | 45 Ų | 45 | 44 Ų | 44 | 21% | 0.208 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -70.9 | 142 | -177.2 | -168.8 | -97.7 | 0 | 0 | 0 | 111.1 | K889 A890 L891 V895 M896 I897 | K889-H893 PolarHBondContact O-N 2.53Å; A890-H893 WeakPolarHBondContact O-CB 3.42Å; A890-H893 PolarHBondContact O-N 3.3Å; A890-H893 VanDerWaalsContact O-N 3.13Å; L891-H893 PolarHBondContact O-N 2.78Å; H893-V895 PolarHBondContact ND1-N 3.2Å; H893-V895 PolarHBondContact O-N 2.85Å; H893-M896 PolarHBondContact O-N 2.87Å; H893-I897 PolarHBondContact O-N 3.35Å; H893-I897 VanDerWaalsContact O-N 3.14Å |
| 894 | P | 98.2 | Very high | 97.5 | Very high | 79 Ų | 79 | 36.8 Ų | 36.8 | 51% | 0.513 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -53.7 | -31 | -177.5 | -30.1 | 35.8 | 0 | 0 | 0 | 115.2 | N898 | P894-N898 VanDerWaalsContact O-CB 3.24Å; P894-N898 WeakPolarHBondContact O-CB 3.24Å; P894-N898 PolarHBondContact O-N 3.44Å; P894-N898 PolarHBondContact O-ND2 3.09Å; P894-N898 VanDerWaalsContact O-ND2 3.13Å |
| 895 | V | 97.4 | Very high | 97.6 | Very high | 32 Ų | 32 | 36 Ų | 36 | 19% | 0.194 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.1 | -48 | 175.9 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | H877 E879 H893 N898 Y899 | H877-V895 WeakPolarHBondContact CE1-CG1 3.44Å; E879-V895 HydrophobicContact CB-CG1 4.24Å; E879-V895 HydrophobicContact CB-CG2 4.13Å; H893-V895 PolarHBondContact ND1-N 3.2Å; H893-V895 PolarHBondContact O-N 2.85Å; V895-N898 PolarHBondContact O-N 2.97Å; V895-Y899 WeakPolarHBondContact O-CB 3.45Å; V895-Y899 PolarHBondContact O-N 3.42Å |
| 896 | M | 97.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.1 | -42.4 | 179 | -68.9 | -50.2 | -50.5 | 0 | 0 | 111.8 | L873 T874 I880 A890 H893 N898 Y899 L900 W1252 | L873-M896 HydrophobicContact CD1-CE 3.84Å; L873-M896 HydrophobicContact CD2-CE 3.73Å; L873-M896 HydrophobicContact CG-CE 3.6Å; T874-M896 HydrophobicContact CG2-CG 3.97Å; T874-M896 HydrophobicContact CG2-SD 4.17Å; I880-M896 HydrophobicContact CD1-CG 3.77Å; I880-M896 HydrophobicContact CD1-SD 3.97Å; A890-M896 WeakPolarHBondContact O-CG 3.44Å; H893-M896 PolarHBondContact O-N 2.87Å; M896-N898 VanDerWaalsContact C-N 3.34Å; M896-N898 PolarHBondContact O-N 3.33Å; M896-Y899 HydrophobicContact CE-CD1 4.32Å; M896-Y899 WeakPolarHBondContact O-CB 3.3Å; M896-Y899 PolarHBondContact O-N 3.37Å; M896-L900 WeakPolarHBondContact O-CG 3.19Å; M896-L900 PolarHBondContact O-N 2.77Å; M896-W1252 HydrophobicContact CE-CH2 4.24Å; M896-W1252 HydrophobicContact CE-CZ2 4.12Å; M896-W1252 HydrophobicContact SD-CZ2 4.31Å |
| 897 | I | 98.3 | Very high | 97.8 | Very high | 19 Ų | 19 | 33.5 Ų | 33.5 | 10% | 0.097 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.9 | -46 | 177.1 | -66.8 | 174.1 | 0 | 0 | 0 | 110.7 | G892 H893 Y899 L900 K901 A962 L963 A966 | G892-I897 VanDerWaalsContact O-CD1 3.29Å; G892-I897 WeakPolarHBondContact O-CD1 3.3Å; H893-I897 PolarHBondContact O-N 3.35Å; H893-I897 VanDerWaalsContact O-N 3.14Å; I897-Y899 VanDerWaalsContact C-N 3.32Å; I897-Y899 PolarHBondContact O-N 2.92Å; I897-L900 PolarHBondContact O-N 2.8Å; I897-K901 HydrophobicContact CG2-CD 4.12Å; I897-K901 HydrophobicContact CG2-CG 4.49Å; I897-K901 WeakPolarHBondContact O-CB 3.38Å; I897-K901 VanDerWaalsContact O-CG 3.31Å; I897-K901 WeakPolarHBondContact O-CG 3.29Å; I897-K901 PolarHBondContact O-N 2.97Å; I897-A962 HydrophobicContact CD1-CB 3.7Å; I897-L963 HydrophobicContact CG1-CD2 4.26Å; I897-A966 HydrophobicContact CG2-CB 3.46Å; I897-A966 VanDerWaalsContact CG2-CB 3.46Å |
| 898 | N | 97.9 | Very high | 97.8 | Very high | 101 Ų | 101 | 33.1 Ų | 33.1 | 54% | 0.54 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -63.5 | -39.5 | 178.2 | -73.5 | -24.7 | 0 | 0 | 0 | 111.8 | P894 V895 M896 K901 Q902 | P894-N898 VanDerWaalsContact O-CB 3.24Å; P894-N898 WeakPolarHBondContact O-CB 3.24Å; P894-N898 PolarHBondContact O-N 3.44Å; P894-N898 PolarHBondContact O-ND2 3.09Å; P894-N898 VanDerWaalsContact O-ND2 3.13Å; V895-N898 PolarHBondContact O-N 2.97Å; M896-N898 VanDerWaalsContact C-N 3.34Å; M896-N898 PolarHBondContact O-N 3.33Å; N898-K901 PolarHBondContact O-N 3.28Å; N898-Q902 VanDerWaalsContact O-CB 3.29Å; N898-Q902 WeakPolarHBondContact O-CB 3.19Å; N898-Q902 PolarHBondContact O-N 2.86Å |
| 899 | Y | 97.1 | Very high | 97.9 | Very high | 27 Ų | 27 | 33.2 Ų | 33.2 | 11% | 0.106 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.3 | -51.8 | 175.7 | 178.6 | -103.5 | 0 | 0 | 0 | 112.2 | V895 M896 I897 K901 Q902 L903 E1229 W1252 T1260 | V895-Y899 WeakPolarHBondContact O-CB 3.45Å; V895-Y899 PolarHBondContact O-N 3.42Å; M896-Y899 HydrophobicContact CE-CD1 4.32Å; M896-Y899 WeakPolarHBondContact O-CB 3.3Å; M896-Y899 PolarHBondContact O-N 3.37Å; I897-Y899 VanDerWaalsContact C-N 3.32Å; I897-Y899 PolarHBondContact O-N 2.92Å; Y899-K901 VanDerWaalsContact C-N 3.33Å; Y899-K901 PolarHBondContact O-N 3.29Å; Y899-Q902 WeakPolarHBondContact O-CB 3.4Å; Y899-Q902 PolarHBondContact O-N 2.5Å; Y899-Q902 VanDerWaalsContact O-N 3.14Å; Y899-L903 HydrophobicContact CD1-CD1 4.02Å; Y899-L903 HydrophobicContact CE1-CD1 3.37Å; Y899-L903 HydrophobicContact CE2-CD1 4.19Å; Y899-L903 VanDerWaalsContact CZ-CD1 3.48Å; Y899-L903 PolarHBondContact O-N 3.01Å; Y899-E1229 VanDerWaalsContact OH-CD 3.3Å; Y899-E1229 VanDerWaalsContact OH-CG 3.24Å; Y899-E1229 WeakPolarHBondContact OH-CG 3.38Å; Y899-E1229 PolarHBondContact OH-OE1 2.86Å; Y899-W1252 AromaticContact CD1-CH2 3.85Å; Y899-W1252 HydrophobicContact CD1-CH2 3.85Å; Y899-W1252 HydrophobicContact CD1-CZ3 4.4Å; Y899-W1252 HydrophobicContact CD2-CH2 4.28Å; Y899-W1252 HydrophobicContact CD2-CZ3 4.01Å; Y899-W1252 AromaticContact CE1-CH2 3.63Å; Y899-W1252 HydrophobicContact CE1-CH2 3.63Å; Y899-W1252 HydrophobicContact CE1-CZ3 4.14Å; Y899-W1252 HydrophobicContact CE2-CH2 4.08Å; Y899-W1252 AromaticContact CE2-CZ3 3.72Å; Y899-W1252 HydrophobicContact CE2-CZ3 3.72Å; Y899-W1252 HydrophobicContact CG-CH2 4.16Å; Y899-W1252 HydrophobicContact CG-CZ3 4.33Å; Y899-W1252 AromaticContact CZ-CH2 3.74Å; Y899-W1252 AromaticContact CZ-CZ3 3.77Å; Y899-T1260 HydrophobicContact CE2-CG2 3.95Å |
| 900 | L | 98.1 | Very high | 97.9 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.1 | -41.3 | 178.9 | -68 | 172.2 | 0 | 0 | 0 | 111.9 | Y866 M896 I897 L903 G904 I905 L908 L963 I968 | Y866-L900 HydrophobicContact CD1-CD2 3.81Å; Y866-L900 HydrophobicContact CE1-CD2 4.04Å; Y866-L900 HydrophobicContact CG-CD2 4.2Å; M896-L900 WeakPolarHBondContact O-CG 3.19Å; M896-L900 PolarHBondContact O-N 2.77Å; I897-L900 PolarHBondContact O-N 2.8Å; L900-L903 PolarHBondContact O-N 2.91Å; L900-G904 PolarHBondContact O-N 2.88Å; L900-I905 HydrophobicContact CB-CB 4.33Å; L900-I905 HydrophobicContact CD2-CB 4.25Å; L900-I905 HydrophobicContact CD2-CG1 4.01Å; L900-I905 HydrophobicContact CD2-CG2 4.35Å; L900-I905 PolarHBondContact O-N 3.09Å; L900-L908 HydrophobicContact CD1-CD2 4.33Å; L900-L963 HydrophobicContact CD1-CD2 4.12Å; L900-I968 HydrophobicContact CB-CD1 3.7Å; L900-I968 HydrophobicContact CD1-CD1 4.22Å |
| 901 | K | 97.8 | Very high | 98 | Very high | 109 Ų | 109 | 28.5 Ų | 28.5 | 47% | 0.474 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -64.5 | -39.6 | 174.6 | -73.3 | -177.1 | 74.3 | 170.1 | 0 | 112.7 | I897 N898 Y899 G904 A966 I968 | I897-K901 HydrophobicContact CG2-CD 4.12Å; I897-K901 HydrophobicContact CG2-CG 4.49Å; I897-K901 WeakPolarHBondContact O-CB 3.38Å; I897-K901 VanDerWaalsContact O-CG 3.31Å; I897-K901 WeakPolarHBondContact O-CG 3.29Å; I897-K901 PolarHBondContact O-N 2.97Å; N898-K901 PolarHBondContact O-N 3.28Å; Y899-K901 VanDerWaalsContact C-N 3.33Å; Y899-K901 PolarHBondContact O-N 3.29Å; K901-G904 PolarHBondContact O-N 2.92Å; K901-G904 VanDerWaalsContact O-N 3.12Å; K901-A966 HydrophobicContact CD-CB 4.04Å; K901-A966 HydrophobicContact CG-CB 4.45Å; K901-I968 HydrophobicContact CG-CD1 4.21Å |
| 902 | Q | 96.9 | Very high | 98 | Very high | 130 Ų | 130 | 28.5 Ų | 28.5 | 61% | 0.607 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -64.3 | -43.3 | 178.3 | -179.4 | 179 | -15.8 | 0 | 0 | 111.1 | N898 Y899 G904 H1268 | N898-Q902 VanDerWaalsContact O-CB 3.29Å; N898-Q902 WeakPolarHBondContact O-CB 3.19Å; N898-Q902 PolarHBondContact O-N 2.86Å; Y899-Q902 WeakPolarHBondContact O-CB 3.4Å; Y899-Q902 PolarHBondContact O-N 2.5Å; Y899-Q902 VanDerWaalsContact O-N 3.14Å; Q902-G904 PolarHBondContact O-N 3.42Å; Q902-H1268 PolarHBondContact O-NE2 3.01Å |
| 903 | L | 97.5 | Very high | 98 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.9 | -36 | 170.4 | -92.4 | 159.3 | 0 | 0 | 0 | 112.1 | Y866 Y899 L900 I905 E1229 T1263 A1264 I1267 | Y866-L903 HydrophobicContact CE2-CD1 4.36Å; Y899-L903 HydrophobicContact CD1-CD1 4.02Å; Y899-L903 HydrophobicContact CE1-CD1 3.37Å; Y899-L903 HydrophobicContact CE2-CD1 4.19Å; Y899-L903 VanDerWaalsContact CZ-CD1 3.48Å; Y899-L903 PolarHBondContact O-N 3.01Å; L900-L903 PolarHBondContact O-N 2.91Å; L903-I905 HydrophobicContact CB-CD1 4.31Å; L903-I905 HydrophobicContact CB-CG1 3.95Å; L903-E1229 HydrophobicContact CD1-CG 4.05Å; L903-E1229 HydrophobicContact CD2-CB 4.24Å; L903-E1229 HydrophobicContact CD2-CG 4.03Å; L903-T1263 HydrophobicContact CD2-CG2 3.97Å; L903-A1264 HydrophobicContact CD2-CB 4.34Å; L903-I1267 HydrophobicContact CD2-CD1 4.1Å; L903-I1267 WeakPolarHBondContact O-CB 3.3Å; L903-I1267 VanDerWaalsContact O-CD1 3.28Å; L903-I1267 WeakPolarHBondContact O-CD1 3.31Å; L903-I1267 WeakPolarHBondContact O-CG2 3.35Å |
| 904 | G | 97.7 | Very high | 98 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 3% | 0.031 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93 | 22.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | L900 K901 Q902 I1267 K1271 | L900-G904 PolarHBondContact O-N 2.88Å; K901-G904 PolarHBondContact O-N 2.92Å; K901-G904 VanDerWaalsContact O-N 3.12Å; Q902-G904 PolarHBondContact O-N 3.42Å; G904-I1267 WeakPolarHBondContact O-CG2 3.37Å; G904-K1271 VanDerWaalsContact O-CE 3.32Å; G904-K1271 WeakPolarHBondContact O-CE 3.36Å; G904-K1271 PolarHBondContact O-NZ 3.49Å |
| 905 | I | 98.5 | Very high | 97.9 | Very high | 7 Ų | 7 | 22.9 Ų | 22.9 | 4% | 0.036 | 12% | 0.115 | C | C | . | . | trans | -60.6 | 145 | 172.1 | -57.5 | -49 | 0 | 0 | 0 | 109.9 | I864 Y866 L900 L903 A907 I1267 | I864-I905 HydrophobicContact CG2-CD1 3.91Å; Y866-I905 HydrophobicContact CD2-CD1 3.82Å; Y866-I905 HydrophobicContact CD2-CG1 4.03Å; Y866-I905 HydrophobicContact CG-CD1 4.21Å; Y866-I905 HydrophobicContact CG-CG1 4.12Å; Y866-I905 HydrophobicContact CG-CG2 4.47Å; L900-I905 HydrophobicContact CB-CB 4.33Å; L900-I905 HydrophobicContact CD2-CB 4.25Å; L900-I905 HydrophobicContact CD2-CG1 4.01Å; L900-I905 HydrophobicContact CD2-CG2 4.35Å; L900-I905 PolarHBondContact O-N 3.09Å; L903-I905 HydrophobicContact CB-CD1 4.31Å; L903-I905 HydrophobicContact CB-CG1 3.95Å; I905-A907 VanDerWaalsContact CG2-O 3.29Å; I905-A907 WeakPolarHBondContact CG2-O 3.27Å; I905-I1267 HydrophobicContact CD1-CD1 4.1Å | ||
| 906 | T | 98.6 | Very high | 97.9 | Very high | 12 Ų | 12 | 22 Ų | 22 | 7% | 0.074 | 11% | 0.108 | C | C | . | . | trans | -122.3 | -18.3 | 176.9 | 67.9 | 0 | 0 | 0 | 0 | 112.8 | T858 T863 I864 I968 E969 | T858-T906 HydrophobicContact CG2-CG2 4.25Å; T863-T906 WeakPolarHBondContact CA-OG1 3.48Å; I864-T906 PolarHBondContact N-OG1 2.97Å; I864-T906 PolarHBondContact O-N 3.14Å; I864-T906 PolarHBondContact O-OG1 3.35Å; T906-I968 WeakPolarHBondContact O-CA 3.47Å; T906-E969 PolarHBondContact O-N 3.45Å | ||
| 907 | A | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 128.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | T863 I864 I865 Y866 I905 E969 I971 | T863-A907 HydrophobicContact CG2-CB 4.07Å; I864-A907 PolarHBondContact O-N 3.13Å; I864-A907 VanDerWaalsContact O-N 3.11Å; I865-A907 WeakPolarHBondContact CA-O 3.27Å; I865-A907 HydrophobicContact CG1-CB 4.44Å; Y866-A907 PolarHBondContact N-O 3.4Å; I905-A907 VanDerWaalsContact CG2-O 3.29Å; I905-A907 WeakPolarHBondContact CG2-O 3.27Å; A907-E969 CarbonylContact C-O 3.39Å; A907-E969 WeakPolarHBondContact CA-O 3.45Å; A907-E969 HydrophobicContact CB-CB 4.12Å; A907-I971 HydrophobicContact CB-CD1 4.04Å |
| 908 | L | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 111.9 | 171.9 | 179.6 | 63 | 0 | 0 | 0 | 108.1 | Y866 A868 L891 L900 L910 L963 I968 E969 V970 I971 | Y866-L908 HydrophobicContact CD1-CD1 3.83Å; A868-L908 HydrophobicContact CB-CD1 3.97Å; L891-L908 HydrophobicContact CD1-CD2 4.23Å; L891-L908 HydrophobicContact CD2-CD2 3.77Å; L891-L908 HydrophobicContact CG-CD2 4.02Å; L900-L908 HydrophobicContact CD1-CD2 4.33Å; L908-L910 HydrophobicContact CD1-CD2 4.35Å; L908-L910 HydrophobicContact CD2-CD2 3.96Å; L908-L910 HydrophobicContact CG-CD2 3.9Å; L908-L910 HydrophobicContact CG-CG 4.29Å; L908-L963 HydrophobicContact CD2-CD1 4.02Å; L908-I968 HydrophobicContact CB-CG2 4.19Å; L908-E969 PolarHBondContact N-O 2.93Å; L908-V970 WeakPolarHBondContact O-CA 3.31Å; L908-I971 PolarHBondContact O-N 3.43Å |
| 909 | E | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 115.2 | 172.8 | -178.4 | 175.2 | 137.8 | 0 | 0 | 108.5 | I865 Y866 E867 A868 I971 R1046 | I865-E909 HydrophobicContact CG2-CB 3.65Å; I865-E909 WeakPolarHBondContact CG2-OE2 3.4Å; Y866-E909 PolarHBondContact O-N 3.19Å; E867-E909 CarbonylContact C-O 3.58Å; E867-E909 WeakPolarHBondContact CA-O 3.11Å; A868-E909 PolarHBondContact N-O 3.36Å; E909-I971 CarbonylContact C-O 3.57Å; E909-I971 WeakPolarHBondContact CA-O 3.39Å; E909-I971 HydrophobicContact CB-CB 4.2Å; E909-I971 HydrophobicContact CB-CG2 4.41Å; E909-I971 HydrophobicContact CG-CB 4.33Å; E909-I971 HydrophobicContact CG-CG2 4.03Å; E909-R1046 HydrophobicContact CG-CB 4.38Å; E909-R1046 WeakPolarHBondContact OE1-CB 3.25Å; E909-R1046 WeakPolarHBondContact OE1-CG 3.38Å; E909-R1046 IonicContact OE1-NE 2.8Å |
| 910 | L | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 131.4 | 179.7 | -65.4 | 176.8 | 0 | 0 | 0 | 110.2 | A868 V870 L891 L908 V913 F956 V970 I971 L972 D973 | A868-L910 WeakPolarHBondContact O-CA 3.38Å; V870-L910 HydrophobicContact CG2-CD1 4.21Å; V870-L910 HydrophobicContact CG2-CD2 3.99Å; L891-L910 HydrophobicContact CD1-CD2 4.02Å; L891-L910 HydrophobicContact CD2-CD1 3.86Å; L891-L910 HydrophobicContact CD2-CD2 4.04Å; L908-L910 HydrophobicContact CD1-CD2 4.35Å; L908-L910 HydrophobicContact CD2-CD2 3.96Å; L908-L910 HydrophobicContact CG-CD2 3.9Å; L908-L910 HydrophobicContact CG-CG 4.29Å; L910-V913 HydrophobicContact CB-CG1 4.21Å; L910-V913 HydrophobicContact CD1-CG1 4.27Å; L910-F956 HydrophobicContact CD1-CE2 4.13Å; L910-V970 HydrophobicContact CD1-CG1 4.09Å; L910-I971 PolarHBondContact N-O 2.82Å; L910-L972 HydrophobicContact CB-CD2 4.03Å; L910-L972 HydrophobicContact CD1-CD2 4.11Å; L910-D973 WeakPolarHBondContact O-CB 3.45Å; L910-D973 PolarHBondContact O-N 2.98Å |
| 911 | L | 98.3 | Very high | 97 | Very high | 8 Ų | 8 | 23 Ų | 23 | 4% | 0.042 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -52.8 | 159.4 | 162.3 | -90.2 | 78.4 | 0 | 0 | 0 | 110.4 | E867 A868 H869 V913 W931 Y933 H1154 | E867-L911 HydrophobicContact CG-CD1 3.91Å; A868-L911 PolarHBondContact O-N 3.4Å; H869-L911 HydrophobicContact CB-CD2 4.4Å; L911-V913 WeakPolarHBondContact O-CG1 3.38Å; L911-V913 PolarHBondContact O-N 3.06Å; L911-W931 HydrophobicContact CD2-CB 4.06Å; L911-W931 HydrophobicContact CD2-CG 3.93Å; L911-Y933 HydrophobicContact CD2-CE2 4.49Å; L911-H1154 HydrophobicContact CD1-CB 4.28Å; L911-H1154 HydrophobicContact CD2-CB 4.18Å |
| 912 | P | 98 | Very high | 96.9 | Very high | 4 Ų | 4 | 17.8 Ų | 17.8 | 3% | 0.026 | 9% | 0.089 | C | C | . | . | P | Polyproline II helix | trans | -46.4 | 123.6 | -169.7 | -32.1 | 36 | 0 | 0 | 0 | 114.8 | W931 Y933 D973 V975 | P912-W931 WeakPolarHBondContact CD-O 3.36Å; P912-Y933 HydrophobicContact CG-CD1 3.78Å; P912-Y933 HydrophobicContact CG-CD2 4.28Å; P912-Y933 HydrophobicContact CG-CE1 3.59Å; P912-Y933 HydrophobicContact CG-CE2 4.15Å; P912-Y933 HydrophobicContact CG-CG 4.08Å; P912-D973 HydrophobicContact CG-CB 4.24Å; P912-V975 HydrophobicContact CG-CG2 4Å |
| 913 | V | 97.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 14.5 Ų | 14.5 | 2% | 0.018 | 7% | 0.074 | C | C | . | . | trans | -106.2 | -9.4 | 177.4 | -59.5 | 0 | 0 | 0 | 0 | 112.9 | V870 Y888 L910 L911 L941 H942 F956 L972 W1036 | V870-V913 HydrophobicContact CG2-CG1 3.98Å; Y888-V913 HydrophobicContact CE1-CB 4.19Å; Y888-V913 HydrophobicContact CE1-CG1 4Å; Y888-V913 PolarHBondContact OH-O 3.31Å; L910-V913 HydrophobicContact CB-CG1 4.21Å; L910-V913 HydrophobicContact CD1-CG1 4.27Å; L911-V913 WeakPolarHBondContact O-CG1 3.38Å; L911-V913 PolarHBondContact O-N 3.06Å; V913-L941 HydrophobicContact CB-CD2 3.98Å; V913-L941 HydrophobicContact CG2-CD2 3.8Å; V913-L941 CarbonylContact O-C 3.32Å; V913-L941 WeakPolarHBondContact O-CA 3.27Å; V913-H942 PolarHBondContact O-N 3.16Å; V913-F956 HydrophobicContact CG2-CE2 4.5Å; V913-L972 HydrophobicContact CG1-CD2 4.29Å; V913-L972 HydrophobicContact CG2-CD1 3.85Å; V913-L972 HydrophobicContact CG2-CD2 3.66Å; V913-L972 HydrophobicContact CG2-CG 4.36Å; V913-W1036 HydrophobicContact CG2-CH2 4.47Å | ||
| 914 | A | 97 | Very high | 96.7 | Very high | 12 Ų | 12 | 22.2 Ų | 22.2 | 10% | 0.099 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 152.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | F916 A940 | A914-F916 VanDerWaalsContact O-CD1 3.27Å; A914-F916 WeakPolarHBondContact O-CD1 3.36Å; A914-F916 PolarHBondContact O-N 3.18Å; A914-A940 CarbonylContact C-O 3.57Å; A914-A940 VanDerWaalsContact CA-O 3.24Å; A914-A940 WeakPolarHBondContact CA-O 3.48Å |
| 915 | Q | 96.8 | Very high | 96.6 | Very high | 7 Ų | 7 | 26 Ų | 26 | 3% | 0.033 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 121.7 | -178.8 | 177.1 | 66.6 | -34.8 | 0 | 0 | 109.8 | I812 F816 V936 A937 A940 H942 P943 | I812-Q915 HydrophobicContact CG1-CG 4.35Å; F816-Q915 HydrophobicContact CE2-CG 3.93Å; F816-Q915 HydrophobicContact CZ-CG 4.46Å; Q915-V936 HydrophobicContact CG-CG1 4.05Å; Q915-V936 WeakPolarHBondContact O-CG1 3.36Å; Q915-V936 PolarHBondContact O-N 3.49Å; Q915-A937 HydrophobicContact CB-CB 4.17Å; Q915-A937 HydrophobicContact CG-CB 4.43Å; Q915-A937 PolarHBondContact N-O 2.83Å; Q915-A937 PolarHBondContact O-N 2.87Å; Q915-A937 VanDerWaalsContact O-N 3.12Å; Q915-A940 HydrophobicContact CB-CB 3.92Å; Q915-A940 PolarHBondContact N-O 2.88Å; Q915-H942 PolarHBondContact OE1-ND1 3.5Å; Q915-P943 VanDerWaalsContact CD-CD 3.47Å |
| 916 | F | 96.1 | Very high | 96.3 | Very high | 13 Ų | 13 | 29 Ų | 29 | 6% | 0.057 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 164.3 | -177.2 | 61.5 | -100.2 | 0 | 0 | 0 | 111.8 | A914 N929 G932 N934 H942 Y945 | A914-F916 VanDerWaalsContact O-CD1 3.27Å; A914-F916 WeakPolarHBondContact O-CD1 3.36Å; A914-F916 PolarHBondContact O-N 3.18Å; F916-N929 WeakPolarHBondContact CE2-O 3.42Å; F916-G932 WeakPolarHBondContact CB-O 3.2Å; F916-N934 VanDerWaalsContact CA-O 3.3Å; F916-N934 WeakPolarHBondContact CA-O 3.37Å; F916-N934 WeakPolarHBondContact CB-O 3.39Å; F916-H942 HydrophobicContact CD1-CB 4.19Å; F916-H942 AromaticContact CD1-CG 3.96Å; F916-H942 AromaticContact CD1-ND1 3.92Å; F916-H942 HydrophobicContact CE1-CB 3.87Å; F916-H942 AromaticContact CE1-CD2 3.56Å; F916-H942 AromaticContact CE1-CE1 3.94Å; F916-H942 AromaticContact CE1-CG 3.42Å; F916-H942 VanDerWaalsContact CE1-CG 3.42Å; F916-H942 AromaticContact CE1-ND1 3.68Å; F916-H942 AromaticContact CE1-NE2 3.93Å; F916-H942 AromaticContact CE2-CE1 3.81Å; F916-H942 AromaticContact CZ-CD2 3.55Å; F916-H942 AromaticContact CZ-CE1 3.61Å; F916-H942 AromaticContact CZ-CG 3.81Å; F916-H942 AromaticContact CZ-ND1 3.85Å; F916-H942 AromaticContact CZ-NE2 3.46Å; F916-H942 WeakPolarHBondContact CZ-NE2 3.45Å; F916-Y945 HydrophobicContact CE1-CE2 4.1Å; F916-Y945 WeakPolarHBondContact CZ-OH 3.31Å |
| 917 | A | 95.6 | Very high | 96.2 | Very high | 6 Ų | 6 | 30.3 Ų | 30.3 | 5% | 0.05 | 16% | 0.16 | C | C | . | . | trans | -119 | 143.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | F816 N934 A980 | F816-A917 HydrophobicContact CB-CB 3.61Å; F816-A917 HydrophobicContact CD2-CB 4.3Å; F816-A917 HydrophobicContact CG-CB 3.91Å; A917-N934 PolarHBondContact N-O 3.25Å; A917-N934 WeakPolarHBondContact O-CB 3.43Å; A917-N934 PolarHBondContact O-ND2 3.29Å; A917-A980 HydrophobicContact CB-CB 4.05Å | ||
| 918 | S | 95.4 | Very high | 96 | Very high | 25 Ų | 25 | 32.1 Ų | 32.1 | 18% | 0.175 | 17% | 0.173 | C | C | . | . | trans | -75.1 | 138 | 167.8 | -63.6 | 0 | 0 | 0 | 0 | 110.1 | Q923 S928 N929 | S918-Q923 PolarHBondContact O-NE2 3.09Å; S918-S928 VanDerWaalsContact OG-CA 3.28Å; S918-S928 WeakPolarHBondContact OG-CA 3.5Å; S918-S928 WeakPolarHBondContact OG-CB 3.44Å; S918-N929 PolarHBondContact OG-N 2.54Å | ||
| 919 | E | 94.2 | Very high | 95.8 | Very high | 31 Ų | 31 | 32.3 Ų | 32.3 | 15% | 0.145 | 17% | 0.174 | C | C | . | . | trans | -61.7 | 144.4 | -179.8 | -57.8 | 79.3 | -178.8 | 0 | 0 | 110.3 | R921 L922 Q923 N929 N934 L982 | E919-R921 PolarHBondContact O-N 3.38Å; E919-L922 PolarHBondContact O-N 3.03Å; E919-L922 WeakPolarHBondContact OE2-CD1 3.37Å; E919-Q923 PolarHBondContact O-N 2.9Å; E919-Q923 VanDerWaalsContact O-N 3.12Å; E919-N929 PolarHBondContact OE1-ND2 3.32Å; E919-N934 WeakPolarHBondContact OE1-CB 3.23Å; E919-L982 HydrophobicContact CB-CD1 4.29Å; E919-L982 HydrophobicContact CG-CD1 4.31Å; E919-L982 HydrophobicContact CG-CD2 4.06Å | ||
| 920 | P | 93.8 | Very high | 95.7 | Very high | 20 Ų | 20 | 32.8 Ų | 32.8 | 13% | 0.13 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -51.5 | -36.2 | 179.5 | -31.2 | 37.3 | 0 | 0 | 0 | 113.9 | D818 Q923 R924 L982 | D818-P920 HydrophobicContact CB-CB 4.21Å; P920-Q923 PolarHBondContact O-N 3.35Å; P920-R924 WeakPolarHBondContact O-CG 3.33Å; P920-R924 PolarHBondContact O-N 3.18Å; P920-R924 VanDerWaalsContact O-N 3.1Å; P920-L982 HydrophobicContact CG-CD1 4.48Å |
| 921 | R | 93 | Very high | 95.6 | Very high | 88 Ų | 88 | 33.6 Ų | 33.6 | 33% | 0.332 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.1 | -46.7 | 176 | -178.9 | -176.3 | 62.8 | 89.7 | -6 | 112.2 | E919 R924 M925 E1175 Y1241 | E919-R921 PolarHBondContact O-N 3.38Å; R921-R924 PolarHBondContact O-N 2.57Å; R921-M925 HydrophobicContact CG-SD 3.91Å; R921-M925 WeakPolarHBondContact O-CG 3.31Å; R921-M925 PolarHBondContact O-N 3.03Å; R921-E1175 IonicContact CZ-OE1 3.91Å; R921-E1175 IonicContact NH1-OE1 3.47Å; R921-E1175 PolarHBondContact NH1-OE1 3.47Å; R921-E1175 IonicContact NH2-OE1 3.68Å; R921-E1175 PolarHBondContact NH2-OE1 2.89Å; R921-Y1241 PolarHBondContact NH2-OH 2.87Å |
| 922 | L | 95 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.7 | -43.5 | 179.3 | -66.5 | -168.6 | 0 | 0 | 0 | 111 | E919 R924 M925 G926 L927 N929 Y1241 C1242 | E919-L922 PolarHBondContact O-N 3.03Å; E919-L922 WeakPolarHBondContact OE2-CD1 3.37Å; L922-R924 VanDerWaalsContact C-N 3.29Å; L922-R924 PolarHBondContact O-N 3.11Å; L922-M925 CarbonylContact O-C 3.56Å; L922-M925 WeakPolarHBondContact O-CA 3.3Å; L922-M925 WeakPolarHBondContact O-CB 3.44Å; L922-M925 PolarHBondContact O-N 3.37Å; L922-G926 PolarHBondContact O-N 3.01Å; L922-G926 VanDerWaalsContact O-N 3.07Å; L922-L927 CarbonylContact C-O 3.55Å; L922-L927 VanDerWaalsContact C-O 3.28Å; L922-L927 HydrophobicContact CB-CB 4.15Å; L922-L927 HydrophobicContact CD2-CB 4.23Å; L922-L927 HydrophobicContact CD2-CD1 4.36Å; L922-L927 PolarHBondContact O-N 3.25Å; L922-N929 HydrophobicContact CD1-CB 4.27Å; L922-Y1241 HydrophobicContact CD1-CE2 3.89Å; L922-C1242 HydrophobicContact CD1-CB 3.68Å; L922-C1242 HydrophobicContact CD2-CB 4Å |
| 923 | Q | 95.2 | Very high | 95.4 | Very high | 61 Ų | 61 | 34 Ų | 34 | 29% | 0.285 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -57 | -43.6 | 177.8 | -63.2 | -171.6 | 40.6 | 0 | 0 | 111.6 | F816 D818 S918 E919 P920 M925 G926 | F816-Q923 PolarHBondContact O-NE2 2.88Å; D818-Q923 HydrophobicContact CB-CB 4.4Å; S918-Q923 PolarHBondContact O-NE2 3.09Å; E919-Q923 PolarHBondContact O-N 2.9Å; E919-Q923 VanDerWaalsContact O-N 3.12Å; P920-Q923 PolarHBondContact O-N 3.35Å; Q923-M925 PolarHBondContact O-N 2.9Å; Q923-G926 PolarHBondContact O-N 3.18Å |
| 924 | R | 95.1 | Very high | 95.3 | Very high | 164 Ų | 164 | 33.9 Ų | 33.9 | 62% | 0.619 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -64.4 | -24.8 | 175.9 | -70.9 | -174.5 | -66.8 | -101.1 | 8.7 | 113.6 | D818 P920 R921 L922 | D818-R924 IonicContact OD1-NH1 3.3Å; D818-R924 WeakPolarHBondContact OD2-CG 3.44Å; D818-R924 IonicContact OD2-CZ 3.18Å; D818-R924 IonicContact OD2-NE 2.87Å; D818-R924 IonicContact OD2-NH1 3.67Å; D818-R924 PolarHBondContact OD2-NH1 3.32Å; P920-R924 WeakPolarHBondContact O-CG 3.33Å; P920-R924 PolarHBondContact O-N 3.18Å; P920-R924 VanDerWaalsContact O-N 3.1Å; R921-R924 PolarHBondContact O-N 2.57Å; L922-R924 VanDerWaalsContact C-N 3.29Å; L922-R924 PolarHBondContact O-N 3.11Å |
| 925 | M | 94.6 | Very high | 95.3 | Very high | 81 Ų | 81 | 33.6 Ų | 33.6 | 40% | 0.399 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -89.5 | -4.2 | 176 | -65.7 | 166.1 | 61.5 | 0 | 0 | 112.9 | R921 L922 Q923 L927 N1173 | R921-M925 HydrophobicContact CG-SD 3.91Å; R921-M925 WeakPolarHBondContact O-CG 3.31Å; R921-M925 PolarHBondContact O-N 3.03Å; L922-M925 CarbonylContact O-C 3.56Å; L922-M925 WeakPolarHBondContact O-CA 3.3Å; L922-M925 WeakPolarHBondContact O-CB 3.44Å; L922-M925 PolarHBondContact O-N 3.37Å; Q923-M925 PolarHBondContact O-N 2.9Å; M925-L927 VanDerWaalsContact C-N 3.28Å; M925-L927 HydrophobicContact CB-CD1 4.33Å; M925-L927 HydrophobicContact CB-CG 4.28Å; M925-L927 HydrophobicContact CE-CD1 3.95Å; M925-N1173 WeakPolarHBondContact CE-O 3.36Å |
| 926 | G | 94.2 | Very high | 95.2 | Very high | 71 Ų | 71 | 34 Ų | 34 | 73% | 0.732 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 22.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L922 Q923 | L922-G926 PolarHBondContact O-N 3.01Å; L922-G926 VanDerWaalsContact O-N 3.07Å; Q923-G926 PolarHBondContact O-N 3.18Å |
| 927 | L | 95.6 | Very high | 95.2 | Very high | 40 Ų | 40 | 33.3 Ų | 33.3 | 21% | 0.209 | 18% | 0.176 | C | C | . | . | trans | -107.2 | 167.9 | 175.4 | -62 | 176.8 | 0 | 0 | 0 | 110.1 | L922 M925 C1242 | L922-L927 CarbonylContact C-O 3.55Å; L922-L927 VanDerWaalsContact C-O 3.28Å; L922-L927 HydrophobicContact CB-CB 4.15Å; L922-L927 HydrophobicContact CD2-CB 4.23Å; L922-L927 HydrophobicContact CD2-CD1 4.36Å; L922-L927 PolarHBondContact O-N 3.25Å; M925-L927 VanDerWaalsContact C-N 3.28Å; M925-L927 HydrophobicContact CB-CD1 4.33Å; M925-L927 HydrophobicContact CB-CG 4.28Å; M925-L927 HydrophobicContact CE-CD1 3.95Å; L927-C1242 HydrophobicContact CB-CB 4.49Å | ||
| 928 | S | 94.6 | Very high | 95.2 | Very high | 37 Ų | 37 | 33.6 Ų | 33.6 | 26% | 0.259 | 18% | 0.176 | S | C | . | . | trans | -137.6 | 147.7 | 178.1 | 54.3 | 0 | 0 | 0 | 0 | 110.3 | S918 Y930 C1242 | S918-S928 VanDerWaalsContact OG-CA 3.28Å; S918-S928 WeakPolarHBondContact OG-CA 3.5Å; S918-S928 WeakPolarHBondContact OG-CB 3.44Å; S928-Y930 PolarHBondContact O-N 2.98Å; S928-C1242 CarbonylContact O-C 3.58Å; S928-C1242 WeakPolarHBondContact O-CA 3.44Å | ||
| 929 | N | 95.3 | Very high | 95.2 | Very high | 6 Ų | 6 | 32.9 Ų | 32.9 | 3% | 0.032 | 17% | 0.17 | C | C | . | . | trans | -66.7 | 98.5 | 169.8 | -170.6 | -45.4 | 0 | 0 | 0 | 107.8 | F916 S918 E919 L922 G932 Y933 N934 | F916-N929 WeakPolarHBondContact CE2-O 3.42Å; S918-N929 PolarHBondContact OG-N 2.54Å; E919-N929 PolarHBondContact OE1-ND2 3.32Å; L922-N929 HydrophobicContact CD1-CB 4.27Å; N929-G932 PolarHBondContact OD1-N 2.88Å; N929-Y933 PolarHBondContact OD1-N 3.19Å; N929-N934 WeakPolarHBondContact ND2-CB 3.43Å | ||
| 930 | Y | 96.4 | Very high | 95.3 | Very high | 10 Ų | 10 | 31.4 Ų | 31.4 | 4% | 0.039 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -76.1 | -41.8 | -174.3 | 165.7 | -111.8 | 0 | 0 | 0 | 110.8 | H869 G872 S928 G932 Y945 Y1241 D1244 T1248 | H869-Y930 AromaticContact CD2-CE1 3.92Å; H869-Y930 AromaticContact CD2-CZ 3.71Å; H869-Y930 AromaticContact CE1-CE2 3.44Å; H869-Y930 VanDerWaalsContact CE1-CE2 3.44Å; H869-Y930 WeakPolarHBondContact CE1-CE2 3.46Å; H869-Y930 AromaticContact CE1-CZ 3.79Å; H869-Y930 AromaticContact CG-CZ 3.62Å; H869-Y930 AromaticContact ND1-CE2 3.77Å; H869-Y930 AromaticContact ND1-CZ 3.68Å; H869-Y930 PolarHBondContact ND1-OH 2.92Å; H869-Y930 AromaticContact NE2-CD2 3.88Å; H869-Y930 AromaticContact NE2-CE2 3.6Å; H869-Y930 AromaticContact NE2-CZ 3.81Å; H869-Y930 PolarHBondContact NE2-O 3.18Å; G872-Y930 WeakPolarHBondContact CA-OH 3.47Å; G872-Y930 PolarHBondContact N-OH 3.39Å; S928-Y930 PolarHBondContact O-N 2.98Å; Y930-G932 VanDerWaalsContact C-N 3.29Å; Y930-G932 PolarHBondContact O-N 3.3Å; Y930-Y945 PolarHBondContact O-OH 3.42Å; Y930-Y1241 WeakPolarHBondContact CA-O 3.43Å; Y930-Y1241 VanDerWaalsContact CB-O 3.32Å; Y930-Y1241 WeakPolarHBondContact CB-O 3.2Å; Y930-Y1241 PolarHBondContact N-O 3.29Å; Y930-D1244 HydrophobicContact CD2-CB 3.61Å; Y930-D1244 HydrophobicContact CE2-CB 4.43Å; Y930-D1244 HydrophobicContact CG-CB 4.13Å; Y930-T1248 HydrophobicContact CD1-CG2 4.2Å; Y930-T1248 HydrophobicContact CE1-CG2 4.01Å; Y930-T1248 WeakPolarHBondContact CE1-OG1 3.33Å |
| 931 | W | 96.5 | Very high | 95.5 | Very high | 18 Ų | 18 | 31.2 Ų | 31.2 | 7% | 0.068 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -67 | -28.1 | -178.8 | -68.7 | -12.1 | 0 | 0 | 0 | 114 | L911 P912 Y933 H1154 N1239 Y1241 | L911-W931 HydrophobicContact CD2-CB 4.06Å; L911-W931 HydrophobicContact CD2-CG 3.93Å; P912-W931 WeakPolarHBondContact CD-O 3.36Å; W931-Y933 HydrophobicContact CB-CD2 3.43Å; W931-Y933 VanDerWaalsContact CB-CD2 3.43Å; W931-Y933 HydrophobicContact CB-CE2 3.7Å; W931-Y933 HydrophobicContact CD2-CD2 4.3Å; W931-Y933 HydrophobicContact CD2-CE2 4.24Å; W931-Y933 AromaticContact CE3-CD2 3.8Å; W931-Y933 HydrophobicContact CE3-CD2 3.8Å; W931-Y933 AromaticContact CE3-CE2 3.87Å; W931-Y933 HydrophobicContact CE3-CE2 3.87Å; W931-Y933 HydrophobicContact CG-CD2 4.24Å; W931-Y933 HydrophobicContact CG-CE2 4.24Å; W931-H1154 AromaticContact CD2-CD2 3.74Å; W931-H1154 AromaticContact CE2-CD2 3.84Å; W931-H1154 AromaticContact CE3-CD2 3.65Å; W931-H1154 AromaticContact CH2-CD2 3.85Å; W931-H1154 AromaticContact CZ2-CD2 3.91Å; W931-H1154 WeakPolarHBondContact CZ2-O 3.41Å; W931-H1154 AromaticContact CZ3-CD2 3.7Å; W931-N1239 WeakPolarHBondContact CH2-OD1 3.31Å; W931-Y1241 PolarHBondContact N-O 2.88Å |
| 932 | G | 96 | Very high | 95.6 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | 89.8 | 11.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | F916 N929 Y930 N934 | F916-G932 WeakPolarHBondContact CB-O 3.2Å; N929-G932 PolarHBondContact OD1-N 2.88Å; Y930-G932 VanDerWaalsContact C-N 3.29Å; Y930-G932 PolarHBondContact O-N 3.3Å; G932-N934 PolarHBondContact O-N 3.38Å | ||
| 933 | Y | 95.9 | Very high | 95.6 | Very high | 20 Ų | 20 | 29.8 Ų | 29.8 | 8% | 0.078 | 16% | 0.16 | C | C | . | . | trans | -70.9 | 5.2 | -177.6 | -76.3 | -79.9 | 0 | 0 | 0 | 115.3 | L911 P912 N929 W931 P935 D973 V975 H978 D1048 H1154 | L911-Y933 HydrophobicContact CD2-CE2 4.49Å; P912-Y933 HydrophobicContact CG-CD1 3.78Å; P912-Y933 HydrophobicContact CG-CD2 4.28Å; P912-Y933 HydrophobicContact CG-CE1 3.59Å; P912-Y933 HydrophobicContact CG-CE2 4.15Å; P912-Y933 HydrophobicContact CG-CG 4.08Å; N929-Y933 PolarHBondContact OD1-N 3.19Å; W931-Y933 HydrophobicContact CB-CD2 3.43Å; W931-Y933 VanDerWaalsContact CB-CD2 3.43Å; W931-Y933 HydrophobicContact CB-CE2 3.7Å; W931-Y933 HydrophobicContact CD2-CD2 4.3Å; W931-Y933 HydrophobicContact CD2-CE2 4.24Å; W931-Y933 AromaticContact CE3-CD2 3.8Å; W931-Y933 HydrophobicContact CE3-CD2 3.8Å; W931-Y933 AromaticContact CE3-CE2 3.87Å; W931-Y933 HydrophobicContact CE3-CE2 3.87Å; W931-Y933 HydrophobicContact CG-CD2 4.24Å; W931-Y933 HydrophobicContact CG-CE2 4.24Å; Y933-P935 WeakPolarHBondContact O-CD 3.26Å; Y933-D973 PolarHBondContact OH-OD2 2.99Å; Y933-V975 HydrophobicContact CD1-CG2 3.45Å; Y933-V975 VanDerWaalsContact CD1-CG2 3.45Å; Y933-V975 HydrophobicContact CE1-CG2 4.02Å; Y933-V975 HydrophobicContact CG-CG2 4.36Å; Y933-H978 PolarHBondContact O-CE1 3.06Å; Y933-H978 PolarHBondContact O-NE2 2.63Å; Y933-D1048 HydrophobicContact CD1-CB 4.1Å; Y933-D1048 HydrophobicContact CE1-CB 3.89Å; Y933-D1048 VanDerWaalsContact CE1-OD1 3.31Å; Y933-D1048 WeakPolarHBondContact CE1-OD1 3.35Å; Y933-H1154 AromaticContact CE2-CD2 3.98Å; Y933-H1154 AromaticContact CE2-NE2 3.4Å; Y933-H1154 WeakPolarHBondContact CE2-NE2 3.49Å; Y933-H1154 AromaticContact CZ-CE1 3.77Å; Y933-H1154 AromaticContact CZ-NE2 3.53Å; Y933-H1154 PolarHBondContact OH-CE1 2.72Å; Y933-H1154 PolarHBondContact OH-NE2 2.97Å; Y933-H1154 VanDerWaalsContact OH-NE2 3.14Å | ||
| 934 | N | 95.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.011 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -112.3 | 68.1 | 178.9 | -167.4 | 44.6 | 0 | 0 | 0 | 111.2 | F916 A917 E919 N929 G932 A980 | F916-N934 VanDerWaalsContact CA-O 3.3Å; F916-N934 WeakPolarHBondContact CA-O 3.37Å; F916-N934 WeakPolarHBondContact CB-O 3.39Å; A917-N934 PolarHBondContact N-O 3.25Å; A917-N934 WeakPolarHBondContact O-CB 3.43Å; A917-N934 PolarHBondContact O-ND2 3.29Å; E919-N934 WeakPolarHBondContact OE1-CB 3.23Å; N929-N934 WeakPolarHBondContact ND2-CB 3.43Å; G932-N934 PolarHBondContact O-N 3.38Å; N934-A980 VanDerWaalsContact OD1-CA 3.24Å; N934-A980 WeakPolarHBondContact OD1-CA 3.43Å |
| 935 | P | 95.4 | Very high | 95.6 | Very high | 5 Ų | 5 | 22.8 Ų | 22.8 | 3% | 0.032 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 146.5 | -169.4 | 32.8 | -40.9 | 0 | 0 | 0 | 112.6 | Y933 M938 V975 A980 | Y933-P935 WeakPolarHBondContact O-CD 3.26Å; P935-M938 HydrophobicContact CB-SD 3.43Å; P935-M938 WeakPolarHBondContact CB-SD 3.38Å; P935-M938 HydrophobicContact CG-SD 3.8Å; P935-V975 HydrophobicContact CG-CB 3.88Å; P935-V975 HydrophobicContact CG-CG1 3.9Å; P935-A980 VanDerWaalsContact O-CB 3.27Å; P935-A980 WeakPolarHBondContact O-CB 3.37Å; P935-A980 PolarHBondContact O-N 2.92Å |
| 936 | V | 95.5 | Very high | 95.7 | Very high | 15 Ų | 15 | 19.5 Ų | 19.5 | 9% | 0.091 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | -26.8 | 177.3 | 69.7 | 0 | 0 | 0 | 0 | 113 | I805 F816 Q915 A980 F989 | I805-V936 HydrophobicContact CD1-CG2 4.05Å; F816-V936 HydrophobicContact CD1-CG1 4.18Å; F816-V936 HydrophobicContact CD1-CG2 4.02Å; F816-V936 HydrophobicContact CD2-CG1 4.01Å; F816-V936 HydrophobicContact CE1-CB 4.19Å; F816-V936 HydrophobicContact CE1-CG1 3.62Å; F816-V936 HydrophobicContact CE1-CG2 3.52Å; F816-V936 HydrophobicContact CE2-CG1 3.44Å; F816-V936 VanDerWaalsContact CE2-CG1 3.44Å; F816-V936 HydrophobicContact CG-CG1 4.36Å; F816-V936 HydrophobicContact CZ-CB 4.24Å; F816-V936 HydrophobicContact CZ-CG1 3.22Å; F816-V936 HydrophobicContact CZ-CG2 4Å; Q915-V936 HydrophobicContact CG-CG1 4.05Å; Q915-V936 WeakPolarHBondContact O-CG1 3.36Å; Q915-V936 PolarHBondContact O-N 3.49Å; V936-A980 HydrophobicContact CB-CB 3.77Å; V936-A980 HydrophobicContact CG2-CB 4.13Å; V936-F989 HydrophobicContact CG2-CB 3.8Å; V936-F989 HydrophobicContact CG2-CD2 3.58Å; V936-F989 HydrophobicContact CG2-CE2 4.39Å; V936-F989 HydrophobicContact CG2-CG 3.92Å |
| 937 | A | 95.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 99.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | I805 I812 Q915 F939 A940 | I805-A937 HydrophobicContact CD1-CB 4.22Å; I812-A937 HydrophobicContact CD1-CB 4.2Å; I812-A937 HydrophobicContact CG1-CB 3.86Å; Q915-A937 HydrophobicContact CB-CB 4.17Å; Q915-A937 HydrophobicContact CG-CB 4.43Å; Q915-A937 PolarHBondContact N-O 2.83Å; Q915-A937 PolarHBondContact O-N 2.87Å; Q915-A937 VanDerWaalsContact O-N 3.12Å; A937-F939 VanDerWaalsContact C-N 3.26Å; A937-F939 PolarHBondContact O-N 2.84Å; A937-A940 HydrophobicContact CB-CB 4.09Å; A937-A940 PolarHBondContact O-N 2.87Å |
| 938 | M | 95.5 | Very high | 95.5 | Very high | 11 Ų | 11 | 18.9 Ų | 18.9 | 5% | 0.054 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | -17.5 | -168.1 | -68.7 | -70.3 | -82 | 0 | 0 | 114.8 | P935 I974 V975 L976 Y1028 C1032 W1036 | P935-M938 HydrophobicContact CB-SD 3.43Å; P935-M938 WeakPolarHBondContact CB-SD 3.38Å; P935-M938 HydrophobicContact CG-SD 3.8Å; M938-I974 HydrophobicContact CE-CG1 4.03Å; M938-V975 VanDerWaalsContact CE-C 3.49Å; M938-V975 WeakPolarHBondContact CE-O 3.43Å; M938-L976 HydrophobicContact CE-CD2 3.62Å; M938-L976 HydrophobicContact CE-CG 4.13Å; M938-Y1028 WeakPolarHBondContact CG-OH 3.34Å; M938-C1032 PolarHBondContact O-SG 3.29Å; M938-W1036 WeakPolarHBondContact O-CZ2 3.28Å; M938-W1036 PolarHBondContact O-NE1 3.44Å; M938-W1036 VanDerWaalsContact O-NE1 3.11Å |
| 939 | F | 96.4 | Very high | 95.2 | Very high | 10 Ų | 10 | 20.9 Ų | 20.9 | 4% | 0.044 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | -9.1 | 179.8 | -69.4 | -111.8 | 0 | 0 | 0 | 112.8 | P807 C808 A809 R810 A937 Y1028 A1031 C1032 Y1035 | P807-F939 WeakPolarHBondContact O-CD2 3.27Å; C808-F939 HydrophobicContact CB-CE2 4.41Å; C808-F939 HydrophobicContact CB-CZ 4.47Å; A809-F939 CarbonylContact O-C 3.6Å; A809-F939 WeakPolarHBondContact O-CB 3.48Å; R810-F939 HydrophobicContact CG-CB 4.49Å; A937-F939 VanDerWaalsContact C-N 3.26Å; A937-F939 PolarHBondContact O-N 2.84Å; F939-Y1028 HydrophobicContact CD2-CE2 4.31Å; F939-Y1028 AromaticContact CE2-CD2 4Å; F939-Y1028 HydrophobicContact CE2-CD2 4Å; F939-Y1028 AromaticContact CE2-CE2 3.53Å; F939-Y1028 HydrophobicContact CE2-CE2 3.53Å; F939-Y1028 HydrophobicContact CZ-CD2 4.49Å; F939-Y1028 HydrophobicContact CZ-CE2 4.44Å; F939-A1031 HydrophobicContact CE1-CB 4.41Å; F939-A1031 HydrophobicContact CZ-CB 4.09Å; F939-C1032 HydrophobicContact CD2-CB 4.12Å; F939-C1032 VanDerWaalsContact CE1-CA 3.4Å; F939-C1032 HydrophobicContact CE1-CB 4.15Å; F939-C1032 HydrophobicContact CE2-CB 3.47Å; F939-C1032 VanDerWaalsContact CE2-CB 3.47Å; F939-C1032 HydrophobicContact CZ-CB 3.52Å; F939-Y1035 HydrophobicContact CB-CD1 4.4Å; F939-Y1035 HydrophobicContact CB-CE1 4.48Å; F939-Y1035 AromaticContact CD1-CD1 3.98Å; F939-Y1035 HydrophobicContact CD1-CD1 3.98Å; F939-Y1035 AromaticContact CD1-CG 3.9Å; F939-Y1035 HydrophobicContact CD1-CG 3.9Å; F939-Y1035 WeakPolarHBondContact O-CE1 3.37Å |
| 940 | A | 96.3 | Very high | 95 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 143.4 | -179 | 0 | 0 | 0 | 0 | 0 | 110.4 | A809 R810 I812 A914 Q915 A937 | A809-A940 WeakPolarHBondContact O-CB 3.44Å; A809-A940 PolarHBondContact O-N 2.86Å; R810-A940 WeakPolarHBondContact O-CA 3.24Å; R810-A940 WeakPolarHBondContact O-CB 3.46Å; I812-A940 HydrophobicContact CG1-CB 4.4Å; A914-A940 CarbonylContact C-O 3.57Å; A914-A940 VanDerWaalsContact CA-O 3.24Å; A914-A940 WeakPolarHBondContact CA-O 3.48Å; Q915-A940 HydrophobicContact CB-CB 3.92Å; Q915-A940 PolarHBondContact N-O 2.88Å; A937-A940 HydrophobicContact CB-CB 4.09Å; A937-A940 PolarHBondContact O-N 2.87Å |
| 941 | L | 96.6 | Very high | 94.8 | Very high | 15 Ų | 15 | 29.9 Ų | 29.9 | 8% | 0.079 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 148.3 | 170.9 | -75.7 | 160.3 | 0 | 0 | 0 | 111.1 | Y888 V913 P943 A952 L953 F956 W1036 | Y888-L941 HydrophobicContact CE1-CD2 4.29Å; Y888-L941 HydrophobicContact CE2-CB 4.29Å; Y888-L941 HydrophobicContact CE2-CD1 4.45Å; Y888-L941 HydrophobicContact CE2-CD2 4.27Å; V913-L941 HydrophobicContact CB-CD2 3.98Å; V913-L941 HydrophobicContact CG2-CD2 3.8Å; V913-L941 CarbonylContact O-C 3.32Å; V913-L941 WeakPolarHBondContact O-CA 3.27Å; L941-P943 WeakPolarHBondContact O-CD 3.47Å; L941-A952 HydrophobicContact CB-CB 4.29Å; L941-L953 HydrophobicContact CD1-CB 4.3Å; L941-L953 HydrophobicContact CD1-CD1 3.96Å; L941-F956 HydrophobicContact CD1-CB 3.52Å; L941-F956 HydrophobicContact CD1-CD1 4.07Å; L941-F956 HydrophobicContact CD1-CG 3.87Å; L941-F956 HydrophobicContact CD2-CB 4.39Å; L941-F956 HydrophobicContact CD2-CD1 4.17Å; L941-F956 HydrophobicContact CD2-CD2 4.12Å; L941-F956 HydrophobicContact CD2-CE1 4.49Å; L941-F956 HydrophobicContact CD2-CE2 4.46Å; L941-F956 HydrophobicContact CD2-CG 3.96Å; L941-W1036 HydrophobicContact CD2-CH2 3.65Å; L941-W1036 HydrophobicContact CD2-CZ3 3.79Å; L941-W1036 HydrophobicContact CG-CH2 3.79Å; L941-W1036 HydrophobicContact CG-CZ3 4.06Å |
| 942 | H | 96.6 | Very high | 94.7 | Very high | 29 Ų | 29 | 29.3 Ų | 29.3 | 13% | 0.134 | 18% | 0.175 | C | C | . | . | P | Polyproline II helix | trans | -66.8 | 117.1 | 170.7 | -170 | 61.5 | 0 | 0 | 0 | 109.9 | Y888 V913 Q915 F916 A944 Y945 | Y888-H942 PolarHBondContact OH-O 2.49Å; V913-H942 PolarHBondContact O-N 3.16Å; Q915-H942 PolarHBondContact OE1-ND1 3.5Å; F916-H942 HydrophobicContact CD1-CB 4.19Å; F916-H942 AromaticContact CD1-CG 3.96Å; F916-H942 AromaticContact CD1-ND1 3.92Å; F916-H942 HydrophobicContact CE1-CB 3.87Å; F916-H942 AromaticContact CE1-CD2 3.56Å; F916-H942 AromaticContact CE1-CE1 3.94Å; F916-H942 AromaticContact CE1-CG 3.42Å; F916-H942 VanDerWaalsContact CE1-CG 3.42Å; F916-H942 AromaticContact CE1-ND1 3.68Å; F916-H942 AromaticContact CE1-NE2 3.93Å; F916-H942 AromaticContact CE2-CE1 3.81Å; F916-H942 AromaticContact CZ-CD2 3.55Å; F916-H942 AromaticContact CZ-CE1 3.61Å; F916-H942 AromaticContact CZ-CG 3.81Å; F916-H942 AromaticContact CZ-ND1 3.85Å; F916-H942 AromaticContact CZ-NE2 3.46Å; F916-H942 WeakPolarHBondContact CZ-NE2 3.45Å; H942-A944 VanDerWaalsContact C-N 3.3Å; H942-A944 VanDerWaalsContact NE2-CB 3.32Å; H942-A944 WeakPolarHBondContact NE2-CB 3.18Å; H942-A944 PolarHBondContact O-N 2.79Å; H942-Y945 HydrophobicContact CB-CD2 4.01Å; H942-Y945 HydrophobicContact CB-CE2 4.14Å; H942-Y945 AromaticContact CD2-CD1 3.99Å; H942-Y945 AromaticContact CD2-CE1 3.8Å; H942-Y945 AromaticContact CD2-CE2 3.91Å; H942-Y945 AromaticContact CD2-CZ 3.75Å; H942-Y945 PolarHBondContact O-N 3.02Å |
| 943 | P | 94.8 | Very high | 94.7 | Very high | 30 Ų | 30 | 30.5 Ų | 30.5 | 20% | 0.195 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -75.1 | -19.1 | -169.1 | 28.3 | -32.8 | 0 | 0 | 0 | 112.9 | Q915 L941 Y945 A946 P949 | Q915-P943 VanDerWaalsContact CD-CD 3.47Å; L941-P943 WeakPolarHBondContact O-CD 3.47Å; P943-Y945 PolarHBondContact O-N 2.95Å; P943-A946 PolarHBondContact O-N 3.08Å; P943-A946 VanDerWaalsContact O-N 3.15Å; P943-P949 HydrophobicContact CB-CB 3.7Å; P943-P949 HydrophobicContact CB-CG 4.26Å |
| 944 | A | 93.5 | Very high | 94.7 | Very high | 68 Ų | 68 | 33.6 Ų | 33.6 | 56% | 0.562 | 20% | 0.197 | S | C | * | . | G | 310 helix | trans | -71.1 | -12.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | H942 A946 | H942-A944 VanDerWaalsContact C-N 3.3Å; H942-A944 VanDerWaalsContact NE2-CB 3.32Å; H942-A944 WeakPolarHBondContact NE2-CB 3.18Å; H942-A944 PolarHBondContact O-N 2.79Å; A944-A946 VanDerWaalsContact C-N 3.28Å |
| 945 | Y | 96.4 | Very high | 94.7 | Very high | 10 Ų | 10 | 34 Ų | 34 | 4% | 0.039 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -91.3 | 16.4 | 172.3 | -58.6 | -21 | 0 | 0 | 0 | 112.4 | H869 V870 K871 T887 Y888 F916 Y930 H942 P943 | H869-Y945 AromaticContact CE1-CE1 3.8Å; H869-Y945 AromaticContact CE1-CZ 3.6Å; H869-Y945 PolarHBondContact CE1-OH 3.38Å; H869-Y945 VanDerWaalsContact CE1-OH 3.28Å; H869-Y945 AromaticContact NE2-CZ 3.75Å; H869-Y945 PolarHBondContact NE2-OH 3.31Å; V870-Y945 HydrophobicContact CB-CD2 4.3Å; V870-Y945 HydrophobicContact CB-CG 4.37Å; V870-Y945 HydrophobicContact CG1-CG 4.32Å; V870-Y945 HydrophobicContact CG2-CD2 4.48Å; K871-Y945 HydrophobicContact CB-CD1 4.38Å; K871-Y945 HydrophobicContact CB-CE1 4.21Å; T887-Y945 CarbonylContact C-O 3.51Å; T887-Y945 WeakPolarHBondContact CA-O 3.46Å; T887-Y945 VanDerWaalsContact CB-O 3.25Å; T887-Y945 WeakPolarHBondContact CB-O 3.37Å; Y888-Y945 WeakPolarHBondContact CD2-O 3.34Å; Y888-Y945 HydrophobicContact CE1-CD2 4.19Å; Y888-Y945 WeakPolarHBondContact CE2-O 3.31Å; Y888-Y945 VanDerWaalsContact CZ-CB 3.42Å; Y888-Y945 PolarHBondContact N-O 2.82Å; Y888-Y945 WeakPolarHBondContact OH-CD2 3.44Å; F916-Y945 HydrophobicContact CE1-CE2 4.1Å; F916-Y945 WeakPolarHBondContact CZ-OH 3.31Å; Y930-Y945 PolarHBondContact O-OH 3.42Å; H942-Y945 HydrophobicContact CB-CD2 4.01Å; H942-Y945 HydrophobicContact CB-CE2 4.14Å; H942-Y945 AromaticContact CD2-CD1 3.99Å; H942-Y945 AromaticContact CD2-CE1 3.8Å; H942-Y945 AromaticContact CD2-CE2 3.91Å; H942-Y945 AromaticContact CD2-CZ 3.75Å; H942-Y945 PolarHBondContact O-N 3.02Å; P943-Y945 PolarHBondContact O-N 2.95Å |
| 946 | A | 96.2 | Very high | 94.8 | Very high | 12 Ų | 12 | 33.8 Ų | 33.8 | 10% | 0.099 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -124.7 | 157.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y888 P943 A944 S948 A952 E955 | Y888-A946 HydrophobicContact CD2-CB 4.31Å; P943-A946 PolarHBondContact O-N 3.08Å; P943-A946 VanDerWaalsContact O-N 3.15Å; A944-A946 VanDerWaalsContact C-N 3.28Å; A946-S948 VanDerWaalsContact CB-O 3.32Å; A946-S948 WeakPolarHBondContact CB-O 3.33Å; A946-S948 PolarHBondContact O-N 3.13Å; A946-A952 HydrophobicContact CB-CB 3.59Å; A946-E955 WeakPolarHBondContact CA-OE2 3.15Å |
| 947 | C | 94.3 | Very high | 94.9 | Very high | 58 Ų | 58 | 33.1 Ų | 33.1 | 39% | 0.392 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -65.1 | -30.2 | 175 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | E955 | C947-E955 VanDerWaalsContact CB-OE1 3.31Å; C947-E955 WeakPolarHBondContact CB-OE1 3.43Å; C947-E955 PolarHBondContact N-OE1 3.44Å; C947-E955 PolarHBondContact N-OE2 3.4Å; C947-E955 PolarHBondContact SG-OE2 3.36Å |
| 948 | S | 91.6 | Very high | 95 | Very high | 39 Ų | 39 | 36.7 Ų | 36.7 | 27% | 0.273 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -143.6 | 146.3 | 166.2 | 69.6 | 0 | 0 | 0 | 0 | 110.8 | A946 E950 T951 A952 | A946-S948 VanDerWaalsContact CB-O 3.32Å; A946-S948 WeakPolarHBondContact CB-O 3.33Å; A946-S948 PolarHBondContact O-N 3.13Å; S948-E950 PolarHBondContact O-N 3.3Å; S948-T951 PolarHBondContact N-OG1 3.45Å; S948-T951 PolarHBondContact O-N 2.87Å; S948-T951 VanDerWaalsContact O-N 3.09Å; S948-T951 PolarHBondContact O-OG1 3.02Å; S948-T951 VanDerWaalsContact OG-CG2 3.32Å; S948-T951 WeakPolarHBondContact OG-CG2 3.48Å; S948-T951 PolarHBondContact OG-OG1 3.15Å; S948-A952 PolarHBondContact O-N 3.23Å |
| 949 | P | 89.4 | Confident | 95.1 | Very high | 80 Ų | 80 | 36.3 Ų | 36.3 | 52% | 0.519 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -54.5 | -38.5 | -177.3 | -29.5 | 36.5 | 0 | 0 | 0 | 114 | P943 T951 A952 | P943-P949 HydrophobicContact CB-CB 3.7Å; P943-P949 HydrophobicContact CB-CG 4.26Å; P949-T951 VanDerWaalsContact C-N 3.3Å; P949-T951 PolarHBondContact O-N 3.46Å; P949-A952 WeakPolarHBondContact O-CB 3.27Å; P949-A952 PolarHBondContact O-N 2.96Å |
| 950 | E | 90.4 | Very high | 95.2 | Very high | 158 Ų | 158 | 35.9 Ų | 35.9 | 74% | 0.738 | 21% | 0.209 | S | C | * | . | G | 310 helix | trans | -77.2 | -13.6 | -175.5 | 12.6 | -172.5 | -162.5 | 0 | 0 | 113.4 | S948 | S948-E950 PolarHBondContact O-N 3.3Š|
| 951 | T | 91.9 | Very high | 95.3 | Very high | 46 Ų | 46 | 37.5 Ų | 37.5 | 28% | 0.282 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -101.4 | -2.3 | 176.5 | 55.3 | 0 | 0 | 0 | 0 | 113.5 | S948 P949 L953 H954 E955 | S948-T951 PolarHBondContact N-OG1 3.45Å; S948-T951 PolarHBondContact O-N 2.87Å; S948-T951 VanDerWaalsContact O-N 3.09Å; S948-T951 PolarHBondContact O-OG1 3.02Å; S948-T951 VanDerWaalsContact OG-CG2 3.32Å; S948-T951 WeakPolarHBondContact OG-CG2 3.48Å; S948-T951 PolarHBondContact OG-OG1 3.15Å; P949-T951 VanDerWaalsContact C-N 3.3Å; P949-T951 PolarHBondContact O-N 3.46Å; T951-L953 VanDerWaalsContact C-N 3.32Å; T951-L953 PolarHBondContact O-N 3Å; T951-H954 PolarHBondContact O-N 3.49Å; T951-E955 PolarHBondContact O-N 3.09Å; T951-E955 PolarHBondContact OG1-OE1 3.2Å |
| 952 | A | 95.3 | Very high | 95.3 | Very high | 6 Ų | 6 | 38.1 Ų | 38.1 | 5% | 0.05 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -52.3 | -46.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y888 L941 A946 S948 P949 E955 F956 | Y888-A952 HydrophobicContact CE2-CB 4.35Å; L941-A952 HydrophobicContact CB-CB 4.29Å; A946-A952 HydrophobicContact CB-CB 3.59Å; S948-A952 PolarHBondContact O-N 3.23Å; P949-A952 WeakPolarHBondContact O-CB 3.27Å; P949-A952 PolarHBondContact O-N 2.96Å; A952-E955 PolarHBondContact O-N 3.27Å; A952-F956 WeakPolarHBondContact O-CB 3.18Å; A952-F956 PolarHBondContact O-N 2.98Å |
| 953 | L | 95.2 | Very high | 95.4 | Very high | 26 Ų | 26 | 36.8 Ų | 36.8 | 14% | 0.136 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.2 | -41.4 | 179.3 | -172.8 | 57.8 | 0 | 0 | 0 | 113.1 | L941 T951 R957 | L941-L953 HydrophobicContact CD1-CB 4.3Å; L941-L953 HydrophobicContact CD1-CD1 3.96Å; T951-L953 VanDerWaalsContact C-N 3.32Å; T951-L953 PolarHBondContact O-N 3Å; L953-R957 VanDerWaalsContact O-CG 3.3Å; L953-R957 WeakPolarHBondContact O-CG 3.35Å; L953-R957 PolarHBondContact O-N 2.91Å; L953-R957 VanDerWaalsContact O-N 3.09Å |
| 954 | H | 95.2 | Very high | 95.6 | Very high | 84 Ų | 84 | 35.9 Ų | 35.9 | 39% | 0.389 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -69.7 | -43.5 | 176.5 | -67.2 | 154 | 0 | 0 | 0 | 111.7 | Y848 T951 F956 R957 D958 | Y848-H954 AromaticContact CD2-CD2 3.73Å; T951-H954 PolarHBondContact O-N 3.49Å; H954-F956 VanDerWaalsContact C-N 3.29Å; H954-F956 PolarHBondContact O-N 3.29Å; H954-R957 PolarHBondContact O-N 3.42Å; H954-D958 WeakPolarHBondContact O-CB 3.44Å; H954-D958 PolarHBondContact O-N 3.49Å |
| 955 | E | 96.4 | Very high | 95.8 | Very high | 11 Ų | 11 | 41.1 Ų | 41.1 | 5% | 0.051 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.9 | -37.8 | 177.5 | -73.4 | 179.5 | -148.7 | 0 | 0 | 112.1 | K889 A946 C947 T951 A952 A959 | K889-E955 HydrophobicContact CB-CB 4.48Å; K889-E955 HydrophobicContact CB-CG 4.27Å; A946-E955 WeakPolarHBondContact CA-OE2 3.15Å; C947-E955 VanDerWaalsContact CB-OE1 3.31Å; C947-E955 WeakPolarHBondContact CB-OE1 3.43Å; C947-E955 PolarHBondContact N-OE1 3.44Å; C947-E955 PolarHBondContact N-OE2 3.4Å; C947-E955 PolarHBondContact SG-OE2 3.36Å; T951-E955 PolarHBondContact O-N 3.09Å; T951-E955 PolarHBondContact OG1-OE1 3.2Å; A952-E955 PolarHBondContact O-N 3.27Å; E955-A959 WeakPolarHBondContact O-CB 3.42Å; E955-A959 PolarHBondContact O-N 3.31Å |
| 956 | F | 97.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.6 | -46.7 | 175.3 | -175.7 | -108.1 | 0 | 0 | 0 | 112.2 | Y888 L910 V913 L941 A952 H954 D958 A959 I960 L972 W1036 C1040 V1042 | Y888-F956 HydrophobicContact CD1-CB 4.45Å; Y888-F956 AromaticContact CD1-CD2 3.56Å; Y888-F956 HydrophobicContact CD1-CD2 3.56Å; Y888-F956 HydrophobicContact CD1-CE2 4.33Å; Y888-F956 HydrophobicContact CD1-CG 4.47Å; Y888-F956 HydrophobicContact CD2-CB 4.17Å; Y888-F956 AromaticContact CE1-CD2 3.81Å; Y888-F956 HydrophobicContact CE1-CD2 3.81Å; Y888-F956 HydrophobicContact CE1-CE2 4.37Å; Y888-F956 HydrophobicContact CG-CB 4.08Å; Y888-F956 HydrophobicContact CG-CD2 4.03Å; L910-F956 HydrophobicContact CD1-CE2 4.13Å; V913-F956 HydrophobicContact CG2-CE2 4.5Å; L941-F956 HydrophobicContact CD1-CB 3.52Å; L941-F956 HydrophobicContact CD1-CD1 4.07Å; L941-F956 HydrophobicContact CD1-CG 3.87Å; L941-F956 HydrophobicContact CD2-CB 4.39Å; L941-F956 HydrophobicContact CD2-CD1 4.17Å; L941-F956 HydrophobicContact CD2-CD2 4.12Å; L941-F956 HydrophobicContact CD2-CE1 4.49Å; L941-F956 HydrophobicContact CD2-CE2 4.46Å; L941-F956 HydrophobicContact CD2-CG 3.96Å; A952-F956 WeakPolarHBondContact O-CB 3.18Å; A952-F956 PolarHBondContact O-N 2.98Å; H954-F956 VanDerWaalsContact C-N 3.29Å; H954-F956 PolarHBondContact O-N 3.29Å; F956-D958 PolarHBondContact O-N 3Å; F956-A959 WeakPolarHBondContact O-CB 3.22Å; F956-A959 PolarHBondContact O-N 2.84Å; F956-I960 HydrophobicContact CD1-CD1 4Å; F956-I960 HydrophobicContact CE1-CD1 3.34Å; F956-I960 HydrophobicContact CE1-CG1 4.27Å; F956-I960 HydrophobicContact CE2-CD1 4.3Å; F956-I960 HydrophobicContact CZ-CD1 3.51Å; F956-I960 HydrophobicContact CZ-CG1 4.23Å; F956-I960 PolarHBondContact O-N 3.48Å; F956-L972 HydrophobicContact CE2-CD2 4.39Å; F956-L972 HydrophobicContact CZ-CD1 4.16Å; F956-L972 HydrophobicContact CZ-CD2 3.97Å; F956-L972 HydrophobicContact CZ-CG 4.49Å; F956-W1036 HydrophobicContact CD1-CZ3 4.45Å; F956-W1036 HydrophobicContact CE1-CE3 4.29Å; F956-W1036 HydrophobicContact CE1-CZ3 4.04Å; F956-C1040 HydrophobicContact CD1-CB 4.34Å; F956-C1040 HydrophobicContact CE1-CB 4.05Å; F956-V1042 HydrophobicContact CE1-CG2 4.23Å; F956-V1042 HydrophobicContact CZ-CG2 4.36Å |
| 957 | R | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.5 | -40.5 | 176.2 | -70.4 | 175.2 | -178.2 | 163.4 | 0.5 | 112.3 | D846 Y848 W850 L953 H954 A959 I960 K961 T1039 | D846-R957 PolarHBondContact O-NH1 2.92Å; Y848-R957 HydrophobicContact CD1-CB 4.09Å; Y848-R957 HydrophobicContact CD2-CB 4.24Å; Y848-R957 HydrophobicContact CE1-CB 3.8Å; Y848-R957 HydrophobicContact CE2-CB 3.94Å; Y848-R957 HydrophobicContact CG-CB 4.3Å; W850-R957 HydrophobicContact CH2-CB 3.96Å; W850-R957 HydrophobicContact CH2-CG 3.99Å; W850-R957 HydrophobicContact CZ2-CB 4.1Å; W850-R957 HydrophobicContact CZ2-CG 3.78Å; L953-R957 VanDerWaalsContact O-CG 3.3Å; L953-R957 WeakPolarHBondContact O-CG 3.35Å; L953-R957 PolarHBondContact O-N 2.91Å; L953-R957 VanDerWaalsContact O-N 3.09Å; H954-R957 PolarHBondContact O-N 3.42Å; R957-A959 VanDerWaalsContact C-N 3.28Å; R957-A959 PolarHBondContact O-N 3.34Å; R957-I960 PolarHBondContact O-N 3.03Å; R957-K961 WeakPolarHBondContact O-CB 3.42Å; R957-K961 PolarHBondContact O-N 3.23Å; R957-T1039 PolarHBondContact NE-O 3.38Å; R957-T1039 PolarHBondContact NH2-O 2.74Å |
| 958 | D | 97.2 | Very high | 96.1 | Very high | 76 Ų | 76 | 40.1 Ų | 40.1 | 41% | 0.406 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.5 | -41.7 | 173.3 | -74.1 | -18.3 | 0 | 0 | 0 | 111.2 | Y848 H954 F956 A962 | Y848-D958 PolarHBondContact OH-OD1 3.14Å; H954-D958 WeakPolarHBondContact O-CB 3.44Å; H954-D958 PolarHBondContact O-N 3.49Å; F956-D958 PolarHBondContact O-N 3Å; D958-A962 WeakPolarHBondContact O-CB 3.26Å; D958-A962 PolarHBondContact O-N 2.63Å |
| 959 | A | 97.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 2% | 0.017 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67 | -45.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y888 L891 E955 F956 R957 A962 L963 | Y888-A959 VanDerWaalsContact O-CB 3.28Å; Y888-A959 WeakPolarHBondContact O-CB 3.45Å; L891-A959 HydrophobicContact CB-CB 4.48Å; E955-A959 WeakPolarHBondContact O-CB 3.42Å; E955-A959 PolarHBondContact O-N 3.31Å; F956-A959 WeakPolarHBondContact O-CB 3.22Å; F956-A959 PolarHBondContact O-N 2.84Å; R957-A959 VanDerWaalsContact C-N 3.28Å; R957-A959 PolarHBondContact O-N 3.34Å; A959-A962 PolarHBondContact O-N 2.86Å; A959-L963 WeakPolarHBondContact O-CG 3.26Å; A959-L963 PolarHBondContact O-N 2.81Å |
| 960 | I | 98.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.3 | -50.2 | 175.1 | -71.2 | -173.9 | 0 | 0 | 0 | 110.4 | W850 F956 R957 A962 L963 H964 V970 C1040 H1041 V1042 | W850-I960 HydrophobicContact CH2-CB 4.43Å; W850-I960 HydrophobicContact CH2-CG2 4.17Å; W850-I960 HydrophobicContact CZ3-CG2 4.18Å; F956-I960 HydrophobicContact CD1-CD1 4Å; F956-I960 HydrophobicContact CE1-CD1 3.34Å; F956-I960 HydrophobicContact CE1-CG1 4.27Å; F956-I960 HydrophobicContact CE2-CD1 4.3Å; F956-I960 HydrophobicContact CZ-CD1 3.51Å; F956-I960 HydrophobicContact CZ-CG1 4.23Å; F956-I960 PolarHBondContact O-N 3.48Å; R957-I960 PolarHBondContact O-N 3.03Å; I960-A962 PolarHBondContact O-N 3.45Å; I960-L963 PolarHBondContact O-N 3.5Å; I960-H964 VanDerWaalsContact CG2-CE1 3.49Å; I960-H964 WeakPolarHBondContact CG2-CE1 3.21Å; I960-H964 PolarHBondContact O-N 3.25Å; I960-V970 HydrophobicContact CD1-CB 4.41Å; I960-V970 HydrophobicContact CD1-CG1 4.33Å; I960-V970 HydrophobicContact CG1-CB 4.28Å; I960-V970 HydrophobicContact CG1-CG1 4.36Å; I960-V970 HydrophobicContact CG1-CG2 4.04Å; I960-C1040 WeakPolarHBondContact CD1-O 3.43Å; I960-H1041 HydrophobicContact CG2-CB 4.19Å; I960-V1042 HydrophobicContact CD1-CG2 3.91Å |
| 961 | K | 97.9 | Very high | 97.3 | Very high | 34 Ų | 34 | 27.1 Ų | 27.1 | 15% | 0.148 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -55.6 | -39.9 | 177.8 | -168 | 167.9 | 87.3 | -174.8 | 0 | 112.1 | D849 W850 E851 D853 R957 K965 | D849-K961 PolarHBondContact O-NZ 2.99Å; D849-K961 VanDerWaalsContact O-NZ 3.16Å; W850-K961 HydrophobicContact CE3-CB 4.29Å; W850-K961 HydrophobicContact CE3-CD 4.37Å; W850-K961 HydrophobicContact CE3-CG 4.47Å; W850-K961 HydrophobicContact CZ3-CB 4.07Å; E851-K961 IonicContact OE1-NZ 3.77Å; E851-K961 PolarHBondContact OE1-NZ 2.8Å; E851-K961 IonicContact OE2-NZ 3.71Å; D853-K961 HydrophobicContact CB-CG 4.21Å; R957-K961 WeakPolarHBondContact O-CB 3.42Å; R957-K961 PolarHBondContact O-N 3.23Å; K961-K965 WeakPolarHBondContact O-CB 3.49Å; K961-K965 PolarHBondContact O-N 2.73Å; K961-K965 VanDerWaalsContact O-N 3.12Å |
| 962 | A | 97.7 | Very high | 97.6 | Very high | 29 Ų | 29 | 25.1 Ų | 25.1 | 24% | 0.24 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -69.6 | -38.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | I897 D958 A959 I960 A966 | I897-A962 HydrophobicContact CD1-CB 3.7Å; D958-A962 WeakPolarHBondContact O-CB 3.26Å; D958-A962 PolarHBondContact O-N 2.63Å; A959-A962 PolarHBondContact O-N 2.86Å; I960-A962 PolarHBondContact O-N 3.45Å; A962-A966 PolarHBondContact O-N 3.23Å |
| 963 | L | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68.6 | -43.1 | 175.9 | -72.8 | 163.9 | 0 | 0 | 0 | 111.7 | L891 I897 L900 L908 A959 I960 K965 A966 G967 I968 V970 | L891-L963 HydrophobicContact CD2-CD1 4.12Å; I897-L963 HydrophobicContact CG1-CD2 4.26Å; L900-L963 HydrophobicContact CD1-CD2 4.12Å; L908-L963 HydrophobicContact CD2-CD1 4.02Å; A959-L963 WeakPolarHBondContact O-CG 3.26Å; A959-L963 PolarHBondContact O-N 2.81Å; I960-L963 PolarHBondContact O-N 3.5Å; L963-K965 PolarHBondContact O-N 3.27Å; L963-A966 CarbonylContact O-C 3.52Å; L963-A966 WeakPolarHBondContact O-CA 3.17Å; L963-A966 VanDerWaalsContact O-CB 3.29Å; L963-A966 WeakPolarHBondContact O-CB 3.33Å; L963-A966 PolarHBondContact O-N 2.92Å; L963-G967 PolarHBondContact O-N 3.21Å; L963-G967 VanDerWaalsContact O-N 3.16Å; L963-I968 CarbonylContact C-O 3.6Å; L963-I968 VanDerWaalsContact C-O 3.25Å; L963-I968 HydrophobicContact CB-CB 4.3Å; L963-I968 HydrophobicContact CD2-CB 4.17Å; L963-I968 HydrophobicContact CD2-CD1 4.16Å; L963-I968 HydrophobicContact CD2-CG2 4.04Å; L963-I968 PolarHBondContact O-N 2.86Å; L963-V970 HydrophobicContact CB-CG2 4.24Å; L963-V970 HydrophobicContact CD1-CG2 3.56Å |
| 964 | H | 98.5 | Very high | 97.8 | Very high | 10 Ų | 10 | 24.1 Ų | 24.1 | 5% | 0.046 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.9 | -45.5 | 174.4 | -75.8 | -173 | 0 | 0 | 0 | 112.2 | D853 P856 I960 A966 G967 I968 H1041 D1043 | D853-H964 WeakPolarHBondContact OD1-CB 3.36Å; D853-H964 IonicContact OD1-CG 3.41Å; D853-H964 IonicContact OD1-ND1 2.73Å; D853-H964 PolarHBondContact OD1-ND1 3.36Å; D853-H964 VanDerWaalsContact OD1-ND1 3.1Å; D853-H964 IonicContact OD2-CE1 3.25Å; D853-H964 IonicContact OD2-ND1 2.78Å; D853-H964 PolarHBondContact OD2-ND1 2.83Å; P856-H964 VanDerWaalsContact CD-CD2 3.49Å; P856-H964 WeakPolarHBondContact CD-CD2 3.5Å; P856-H964 HydrophobicContact CG-CB 4.37Å; I960-H964 VanDerWaalsContact CG2-CE1 3.49Å; I960-H964 WeakPolarHBondContact CG2-CE1 3.21Å; I960-H964 PolarHBondContact O-N 3.25Å; H964-A966 PolarHBondContact O-N 3.09Å; H964-A966 VanDerWaalsContact O-N 3.11Å; H964-G967 WeakPolarHBondContact O-CA 3.37Å; H964-G967 PolarHBondContact O-N 3.37Å; H964-I968 PolarHBondContact N-O 3.38Å; H964-H1041 PolarHBondContact CE1-O 2.94Å; H964-H1041 VanDerWaalsContact CE1-O 3.25Å; H964-D1043 IonicContact CD2-OD2 2.94Å; H964-D1043 IonicContact CE1-OD2 3.84Å; H964-D1043 IonicContact NE2-OD1 2.76Å; H964-D1043 IonicContact NE2-OD2 3.81Å; H964-D1043 PolarHBondContact NE2-OD2 2.98Å |
| 965 | K | 97.3 | Very high | 97.8 | Very high | 178 Ų | 178 | 20.3 Ų | 20.3 | 77% | 0.774 | 11% | 0.114 | S | C | * | . | H | α-helix | trans | -59.4 | -24.5 | 174.3 | -168.6 | 169.1 | -170.3 | 158.9 | 0 | 113.1 | K961 L963 | K961-K965 WeakPolarHBondContact O-CB 3.49Å; K961-K965 PolarHBondContact O-N 2.73Å; K961-K965 VanDerWaalsContact O-N 3.12Å; L963-K965 PolarHBondContact O-N 3.27Å |
| 966 | A | 97.4 | Very high | 97.8 | Very high | 21 Ų | 21 | 20 Ų | 20 | 17% | 0.174 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -5 | 174 | 0 | 0 | 0 | 0 | 0 | 114.2 | I897 K901 A962 L963 H964 I968 | I897-A966 HydrophobicContact CG2-CB 3.46Å; I897-A966 VanDerWaalsContact CG2-CB 3.46Å; K901-A966 HydrophobicContact CD-CB 4.04Å; K901-A966 HydrophobicContact CG-CB 4.45Å; A962-A966 PolarHBondContact O-N 3.23Å; L963-A966 CarbonylContact O-C 3.52Å; L963-A966 WeakPolarHBondContact O-CA 3.17Å; L963-A966 VanDerWaalsContact O-CB 3.29Å; L963-A966 WeakPolarHBondContact O-CB 3.33Å; L963-A966 PolarHBondContact O-N 2.92Å; H964-A966 PolarHBondContact O-N 3.09Å; H964-A966 VanDerWaalsContact O-N 3.11Å; A966-I968 HydrophobicContact CB-CD1 4.2Å; A966-I968 HydrophobicContact CB-CG1 4.4Å |
| 967 | G | 97.6 | Very high | 97.7 | Very high | 37 Ų | 37 | 20 Ų | 20 | 38% | 0.381 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 25.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L963 H964 | L963-G967 PolarHBondContact O-N 3.21Å; L963-G967 VanDerWaalsContact O-N 3.16Å; H964-G967 WeakPolarHBondContact O-CA 3.37Å; H964-G967 PolarHBondContact O-N 3.37Å |
| 968 | I | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | trans | -111.3 | 121.7 | -179.6 | -60.3 | 168.3 | 0 | 0 | 0 | 108.4 | L900 K901 T906 L908 L963 H964 A966 | L900-I968 HydrophobicContact CB-CD1 3.7Å; L900-I968 HydrophobicContact CD1-CD1 4.22Å; K901-I968 HydrophobicContact CG-CD1 4.21Å; T906-I968 WeakPolarHBondContact O-CA 3.47Å; L908-I968 HydrophobicContact CB-CG2 4.19Å; L963-I968 CarbonylContact C-O 3.6Å; L963-I968 VanDerWaalsContact C-O 3.25Å; L963-I968 HydrophobicContact CB-CB 4.3Å; L963-I968 HydrophobicContact CD2-CB 4.17Å; L963-I968 HydrophobicContact CD2-CD1 4.16Å; L963-I968 HydrophobicContact CD2-CG2 4.04Å; L963-I968 PolarHBondContact O-N 2.86Å; H964-I968 PolarHBondContact N-O 3.38Å; A966-I968 HydrophobicContact CB-CD1 4.2Å; A966-I968 HydrophobicContact CB-CG1 4.4Å | ||
| 969 | E | 98.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 17.1 Ų | 17.1 | 2% | 0.019 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 156 | 174.7 | -62.8 | 166.7 | 137.9 | 0 | 0 | 111 | P856 R857 T858 T906 A907 L908 D1043 K1079 | P856-E969 HydrophobicContact CB-CG 3.9Å; P856-E969 HydrophobicContact CG-CG 4.08Å; R857-E969 WeakPolarHBondContact CA-OE1 3.37Å; R857-E969 PolarHBondContact N-OE1 3.09Å; T858-E969 PolarHBondContact N-OE1 3.05Å; T906-E969 PolarHBondContact O-N 3.45Å; A907-E969 CarbonylContact C-O 3.39Å; A907-E969 WeakPolarHBondContact CA-O 3.45Å; A907-E969 HydrophobicContact CB-CB 4.12Å; L908-E969 PolarHBondContact N-O 2.93Å; E969-D1043 WeakPolarHBondContact CA-OD2 3.39Å; E969-D1043 HydrophobicContact CB-CB 3.88Å; E969-D1043 WeakPolarHBondContact CB-OD2 3.44Å; E969-D1043 HydrophobicContact CG-CB 4.25Å; E969-K1079 VanDerWaalsContact CD-NZ 3.31Å; E969-K1079 IonicContact OE1-NZ 2.75Å; E969-K1079 PolarHBondContact OE1-NZ 2.83Å; E969-K1079 IonicContact OE2-NZ 3.62Å; E969-K1079 PolarHBondContact OE2-NZ 3.18Å |
| 970 | V | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.006 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 120.1 | 173.1 | -178.2 | 0 | 0 | 0 | 0 | 110.3 | L908 L910 I960 L963 L972 D1043 | L908-V970 WeakPolarHBondContact O-CA 3.31Å; L910-V970 HydrophobicContact CD1-CG1 4.09Å; I960-V970 HydrophobicContact CD1-CB 4.41Å; I960-V970 HydrophobicContact CD1-CG1 4.33Å; I960-V970 HydrophobicContact CG1-CB 4.28Å; I960-V970 HydrophobicContact CG1-CG1 4.36Å; I960-V970 HydrophobicContact CG1-CG2 4.04Å; L963-V970 HydrophobicContact CB-CG2 4.24Å; L963-V970 HydrophobicContact CD1-CG2 3.56Å; V970-L972 HydrophobicContact CG1-CD2 4.36Å; V970-D1043 PolarHBondContact N-OD2 2.82Å; V970-D1043 PolarHBondContact O-N 2.91Å |
| 971 | I | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 134.1 | 174 | -62.1 | 174.1 | 0 | 0 | 0 | 107.4 | A907 L908 E909 L910 G1044 R1046 K1079 I1081 | A907-I971 HydrophobicContact CB-CD1 4.04Å; L908-I971 PolarHBondContact O-N 3.43Å; E909-I971 CarbonylContact C-O 3.57Å; E909-I971 WeakPolarHBondContact CA-O 3.39Å; E909-I971 HydrophobicContact CB-CB 4.2Å; E909-I971 HydrophobicContact CB-CG2 4.41Å; E909-I971 HydrophobicContact CG-CB 4.33Å; E909-I971 HydrophobicContact CG-CG2 4.03Å; L910-I971 PolarHBondContact N-O 2.82Å; I971-G1044 WeakPolarHBondContact CA-O 3.37Å; I971-R1046 HydrophobicContact CG2-CB 4.42Å; I971-K1079 HydrophobicContact CD1-CB 4.4Å; I971-K1079 HydrophobicContact CD1-CD 4.23Å; I971-I1081 HydrophobicContact CD1-CD1 4.11Å |
| 972 | L | 98.7 | Very high | 97.1 | Very high | 4 Ų | 4 | 16.8 Ų | 16.8 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 131.8 | 175.3 | -69.4 | -172.5 | 0 | 0 | 0 | 111.4 | L910 V913 F956 V970 W1036 V1042 G1044 F1045 R1046 | L910-L972 HydrophobicContact CB-CD2 4.03Å; L910-L972 HydrophobicContact CD1-CD2 4.11Å; V913-L972 HydrophobicContact CG1-CD2 4.29Å; V913-L972 HydrophobicContact CG2-CD1 3.85Å; V913-L972 HydrophobicContact CG2-CD2 3.66Å; V913-L972 HydrophobicContact CG2-CG 4.36Å; F956-L972 HydrophobicContact CE2-CD2 4.39Å; F956-L972 HydrophobicContact CZ-CD1 4.16Å; F956-L972 HydrophobicContact CZ-CD2 3.97Å; F956-L972 HydrophobicContact CZ-CG 4.49Å; V970-L972 HydrophobicContact CG1-CD2 4.36Å; L972-W1036 HydrophobicContact CD1-CD2 3.92Å; L972-W1036 HydrophobicContact CD1-CE3 3.77Å; L972-W1036 HydrophobicContact CD1-CG 4.28Å; L972-W1036 HydrophobicContact CD1-CZ3 4.27Å; L972-V1042 HydrophobicContact CB-CG1 4.24Å; L972-V1042 HydrophobicContact CD1-CG1 4.14Å; L972-V1042 HydrophobicContact CD1-CG2 3.63Å; L972-V1042 HydrophobicContact CG-CG1 3.81Å; L972-V1042 HydrophobicContact CG-CG2 3.95Å; L972-G1044 PolarHBondContact N-O 3.47Å; L972-F1045 HydrophobicContact CB-CD1 4.24Å; L972-F1045 CarbonylContact O-C 3.45Å; L972-F1045 WeakPolarHBondContact O-CA 3.44Å; L972-R1046 PolarHBondContact O-N 2.98Å |
| 973 | D | 97.9 | Very high | 96.9 | Very high | 5 Ų | 5 | 18.7 Ų | 18.7 | 3% | 0.027 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 123.4 | 163.6 | -156.2 | -23.6 | 0 | 0 | 0 | 109.7 | L910 P912 Y933 R1046 | L910-D973 WeakPolarHBondContact O-CB 3.45Å; L910-D973 PolarHBondContact O-N 2.98Å; P912-D973 HydrophobicContact CG-CB 4.24Å; Y933-D973 PolarHBondContact OH-OD2 2.99Å; D973-R1046 CarbonylContact C-O 3.57Å; D973-R1046 WeakPolarHBondContact CA-O 3.41Å; D973-R1046 VanDerWaalsContact CG-CD 3.49Å; D973-R1046 VanDerWaalsContact CG-NH1 3.28Å; D973-R1046 VanDerWaalsContact OD1-CD 3.24Å; D973-R1046 WeakPolarHBondContact OD1-CD 3.26Å; D973-R1046 IonicContact OD1-CZ 3.45Å; D973-R1046 IonicContact OD1-NE 2.91Å; D973-R1046 IonicContact OD1-NH1 3.85Å; D973-R1046 PolarHBondContact OD1-NH1 2.87Å; D973-R1046 WeakPolarHBondContact OD2-CD 3.24Å; D973-R1046 IonicContact OD2-CZ 3.86Å; D973-R1046 IonicContact OD2-NE 3.23Å; D973-R1046 PolarHBondContact OD2-NE 2.9Å; D973-R1046 IonicContact OD2-NH1 2.87Å; D973-R1046 PolarHBondContact OD2-NH1 2.85Å; D973-R1046 IonicContact OD2-NH2 2.69Å |
| 974 | I | 97.1 | Very high | 96.5 | Very high | 6 Ų | 6 | 20.2 Ų | 20.2 | 3% | 0.031 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 134.8 | -171.7 | -141.7 | 176.1 | 0 | 0 | 0 | 111 | M938 L976 L1033 F1045 R1046 F1047 D1048 | M938-I974 HydrophobicContact CE-CG1 4.03Å; I974-L976 HydrophobicContact CG2-CD1 4.31Å; I974-L976 HydrophobicContact CG2-CG 4.27Å; I974-L1033 HydrophobicContact CD1-CD2 3.52Å; I974-L1033 HydrophobicContact CG2-CD2 4.17Å; I974-F1045 HydrophobicContact CB-CD1 4.36Å; I974-F1045 HydrophobicContact CD1-CD1 4.04Å; I974-F1045 HydrophobicContact CD1-CE1 4.1Å; I974-F1045 HydrophobicContact CG2-CB 4.45Å; I974-F1045 HydrophobicContact CG2-CD1 4.46Å; I974-R1046 PolarHBondContact N-O 3.03Å; I974-F1047 HydrophobicContact CG2-CD1 3.35Å; I974-F1047 HydrophobicContact CG2-CE1 3.46Å; I974-F1047 VanDerWaalsContact CG2-CE1 3.46Å; I974-F1047 HydrophobicContact CG2-CG 4.24Å; I974-F1047 HydrophobicContact CG2-CZ 4.4Å; I974-D1048 PolarHBondContact O-N 2.79Å |
| 975 | V | 96.1 | Very high | 96.1 | Very high | 4 Ų | 4 | 24.7 Ų | 24.7 | 2% | 0.024 | 14% | 0.136 | C | C | . | . | trans | -110.2 | 85 | -171.9 | -174.9 | 0 | 0 | 0 | 0 | 110.1 | P912 Y933 P935 M938 D1048 | P912-V975 HydrophobicContact CG-CG2 4Å; Y933-V975 HydrophobicContact CD1-CG2 3.45Å; Y933-V975 VanDerWaalsContact CD1-CG2 3.45Å; Y933-V975 HydrophobicContact CE1-CG2 4.02Å; Y933-V975 HydrophobicContact CG-CG2 4.36Å; P935-V975 HydrophobicContact CG-CB 3.88Å; P935-V975 HydrophobicContact CG-CG1 3.9Å; M938-V975 VanDerWaalsContact CE-C 3.49Å; M938-V975 WeakPolarHBondContact CE-O 3.43Å; V975-D1048 HydrophobicContact CG2-CB 4.11Å | ||
| 976 | L | 95.6 | Very high | 95.9 | Very high | 4 Ų | 4 | 16.5 Ų | 16.5 | 2% | 0.021 | 10% | 0.101 | C | C | . | . | trans | -92.2 | -0.1 | 178.4 | -69.7 | 171.7 | 0 | 0 | 0 | 113.4 | M938 I974 L1018 L1020 A1029 L1033 F1047 | M938-L976 HydrophobicContact CE-CD2 3.62Å; M938-L976 HydrophobicContact CE-CG 4.13Å; I974-L976 HydrophobicContact CG2-CD1 4.31Å; I974-L976 HydrophobicContact CG2-CG 4.27Å; L976-L1018 WeakPolarHBondContact O-CD1 3.26Å; L976-L1020 HydrophobicContact CB-CD1 4.21Å; L976-L1020 WeakPolarHBondContact O-CD1 3.46Å; L976-A1029 HydrophobicContact CD1-CB 4.31Å; L976-A1029 HydrophobicContact CD2-CB 4Å; L976-L1033 HydrophobicContact CD1-CD1 4.24Å; L976-L1033 HydrophobicContact CD1-CD2 4.43Å; L976-L1033 HydrophobicContact CD1-CG 4.46Å; L976-F1047 HydrophobicContact CD1-CD1 4.03Å; L976-F1047 HydrophobicContact CD1-CE1 3.76Å | ||
| 977 | N | 95.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -89.4 | -28.8 | -170.4 | 66.7 | 56.7 | 0 | 0 | 0 | 113.8 | T1012 T1017 L1018 D1048 L1049 V1052 | N977-T1012 HydrophobicContact CB-CG2 3.88Å; N977-T1012 VanDerWaalsContact OD1-CG2 3.3Å; N977-T1012 WeakPolarHBondContact OD1-CG2 3.26Å; N977-T1017 CarbonylContact O-C 3.52Å; N977-T1017 WeakPolarHBondContact O-CA 3.21Å; N977-L1018 PolarHBondContact O-N 3.27Å; N977-D1048 VanDerWaalsContact ND2-C 3.28Å; N977-D1048 PolarHBondContact ND2-O 3.11Å; N977-D1048 PolarHBondContact ND2-OD2 2.78Å; N977-L1049 HydrophobicContact CB-CB 4.46Å; N977-V1052 HydrophobicContact CB-CB 3.81Å; N977-V1052 HydrophobicContact CB-CG1 3.87Å; N977-V1052 HydrophobicContact CB-CG2 4.1Å |
| 978 | H | 96.3 | Very high | 95.5 | Very high | 5 Ų | 5 | 14 Ų | 14 | 2% | 0.023 | 8% | 0.077 | C | C | . | . | trans | -148.4 | 178.9 | 179.8 | 74.1 | -84.6 | 0 | 0 | 0 | 112.2 | Y933 T1012 C1014 N1016 | Y933-H978 PolarHBondContact O-CE1 3.06Å; Y933-H978 PolarHBondContact O-NE2 2.63Å; H978-T1012 HydrophobicContact CB-CG2 4.11Å; H978-C1014 HydrophobicContact CB-CB 4.16Å; H978-C1014 WeakPolarHBondContact CD2-CB 3.38Å; H978-C1014 PolarHBondContact CE1-SG 3.43Å; H978-N1016 WeakPolarHBondContact CA-OD1 3.41Å; H978-N1016 WeakPolarHBondContact CB-O 3.33Å; H978-N1016 WeakPolarHBondContact CB-OD1 3.35Å | ||
| 979 | S | 95.6 | Very high | 95.4 | Very high | 10 Ų | 10 | 14.5 Ų | 14.5 | 7% | 0.07 | 8% | 0.079 | C | C | . | . | trans | -134.7 | 165.6 | 174 | 88 | 0 | 0 | 0 | 0 | 113.5 | E981 L982 Y1000 N1016 | S979-E981 PolarHBondContact O-N 2.83Å; S979-E981 PolarHBondContact OG-N 3.06Å; S979-L982 PolarHBondContact O-N 3.47Å; S979-Y1000 WeakPolarHBondContact CB-OH 2.96Å; S979-Y1000 PolarHBondContact OG-OH 2.91Å; S979-N1016 PolarHBondContact N-OD1 3.29Å; S979-N1016 PolarHBondContact O-ND2 3.31Å; S979-N1016 VanDerWaalsContact O-ND2 3.1Å; S979-N1016 PolarHBondContact OG-ND2 3.26Å | ||
| 980 | A | 95.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 14.5 Ų | 14.5 | 2% | 0.017 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -1.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | A917 N934 P935 V936 L982 | A917-A980 HydrophobicContact CB-CB 4.05Å; N934-A980 VanDerWaalsContact OD1-CA 3.24Å; N934-A980 WeakPolarHBondContact OD1-CA 3.43Å; P935-A980 VanDerWaalsContact O-CB 3.27Å; P935-A980 WeakPolarHBondContact O-CB 3.37Å; P935-A980 PolarHBondContact O-N 2.92Å; V936-A980 HydrophobicContact CB-CB 3.77Å; V936-A980 HydrophobicContact CG2-CB 4.13Å; A980-L982 PolarHBondContact O-N 2.9Å |
| 981 | E | 95.1 | Very high | 95.2 | Very high | 3 Ų | 3 | 15 Ų | 15 | 1% | 0.014 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -7.8 | 174.3 | -61.1 | -173.8 | 125.2 | 0 | 0 | 112.4 | S979 G986 P987 F989 S990 L991 R992 Y1000 | S979-E981 PolarHBondContact O-N 2.83Å; S979-E981 PolarHBondContact OG-N 3.06Å; E981-G986 VanDerWaalsContact O-CA 3.31Å; E981-G986 WeakPolarHBondContact O-CA 3.48Å; E981-P987 WeakPolarHBondContact CB-O 3.42Å; E981-F989 HydrophobicContact CG-CB 4.43Å; E981-F989 HydrophobicContact CG-CD2 4.45Å; E981-F989 PolarHBondContact OE1-N 3.21Å; E981-S990 PolarHBondContact OE1-N 3.06Å; E981-L991 PolarHBondContact OE2-N 3.03Å; E981-R992 VanDerWaalsContact O-CZ 3.25Å; E981-R992 PolarHBondContact O-NH1 2.96Å; E981-R992 PolarHBondContact O-NH2 2.74Å; E981-R992 WeakPolarHBondContact OE2-CB 3.37Å; E981-R992 PolarHBondContact OE2-N 2.81Å; E981-Y1000 PolarHBondContact OE2-OH 3.42Å |
| 982 | L | 94.1 | Very high | 95 | Very high | 27 Ų | 27 | 15.3 Ų | 15.3 | 14% | 0.141 | 8% | 0.083 | C | C | . | . | trans | 53.7 | -146.3 | 174.7 | -53.7 | 175.5 | 0 | 0 | 0 | 113 | E919 P920 S979 A980 R992 C1014 N1016 | E919-L982 HydrophobicContact CB-CD1 4.29Å; E919-L982 HydrophobicContact CG-CD1 4.31Å; E919-L982 HydrophobicContact CG-CD2 4.06Å; P920-L982 HydrophobicContact CG-CD1 4.48Å; S979-L982 PolarHBondContact O-N 3.47Å; A980-L982 PolarHBondContact O-N 2.9Å; L982-R992 PolarHBondContact O-NH2 3.29Å; L982-C1014 WeakPolarHBondContact CD2-O 3.2Å; L982-N1016 PolarHBondContact N-ND2 3.33Å; L982-N1016 VanDerWaalsContact N-ND2 3.12Å; L982-N1016 WeakPolarHBondContact O-CB 3.43Å; L982-N1016 PolarHBondContact O-ND2 3Å | ||
| 983 | D | 92.6 | Very high | 94.9 | Very high | 69 Ų | 69 | 15.1 Ų | 15.1 | 37% | 0.369 | 8% | 0.082 | S | C | . | . | S | Bend | trans | -78.2 | -171 | 173 | 60.7 | 22.6 | 0 | 0 | 0 | 112.3 | D985 G986 R992 | D983-D985 PolarHBondContact O-N 3.2Å; D983-D985 WeakPolarHBondContact OD1-CB 3.22Å; D983-D985 PolarHBondContact OD1-N 3.24Å; D983-G986 PolarHBondContact O-N 3.08Å; D983-G986 PolarHBondContact OD1-N 2.77Å; D983-R992 VanDerWaalsContact O-CZ 3.3Å; D983-R992 PolarHBondContact O-NH1 3.03Å; D983-R992 PolarHBondContact O-NH2 2.55Å |
| 984 | L | 90.6 | Very high | 94.9 | Very high | 32 Ų | 32 | 14.9 Ų | 14.9 | 17% | 0.168 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -23.1 | -179.9 | -67.9 | -179 | 0 | 0 | 0 | 114.3 | R797 G986 D1007 Y1008 | R797-L984 VanDerWaalsContact NH2-CD2 3.31Å; L984-G986 VanDerWaalsContact C-N 3.3Å; L984-D1007 HydrophobicContact CD1-CB 4.21Å; L984-D1007 WeakPolarHBondContact CD1-OD1 3.46Å; L984-Y1008 HydrophobicContact CD2-CD2 4.24Å; L984-Y1008 HydrophobicContact CD2-CE2 3.62Å; L984-Y1008 HydrophobicContact CG-CD2 4.41Å; L984-Y1008 HydrophobicContact CG-CE2 4.17Å |
| 985 | D | 89.3 | Confident | 94.9 | Very high | 105 Ų | 105 | 14.7 Ų | 14.7 | 56% | 0.561 | 8% | 0.08 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -10.9 | 175.3 | -73.8 | -49.8 | 0 | 0 | 0 | 112.5 | H823 H826 D983 | H823-D985 PolarHBondContact CE1-O 2.93Å; H823-D985 PolarHBondContact ND1-O 2.92Å; H826-D985 IonicContact CD2-OD1 3.41Å; H826-D985 IonicContact CE1-OD1 3.52Å; H826-D985 IonicContact NE2-OD1 3.55Å; H826-D985 PolarHBondContact NE2-OD1 3.19Å; D983-D985 PolarHBondContact O-N 3.2Å; D983-D985 WeakPolarHBondContact OD1-CB 3.22Å; D983-D985 PolarHBondContact OD1-N 3.24Å |
| 986 | G | 92.3 | Very high | 94.9 | Very high | 5 Ų | 5 | 14.5 Ų | 14.5 | 5% | 0.052 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -71 | 168.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | H823 E981 D983 L984 R992 | H823-G986 PolarHBondContact ND1-O 2.73Å; E981-G986 VanDerWaalsContact O-CA 3.31Å; E981-G986 WeakPolarHBondContact O-CA 3.48Å; D983-G986 PolarHBondContact O-N 3.08Å; D983-G986 PolarHBondContact OD1-N 2.77Å; L984-G986 VanDerWaalsContact C-N 3.3Å; G986-R992 PolarHBondContact O-NH1 3.49Å; G986-R992 VanDerWaalsContact O-NH1 3.16Å |
| 987 | P | 94.3 | Very high | 94.9 | Very high | 6 Ų | 6 | 19.2 Ų | 19.2 | 4% | 0.039 | 10% | 0.097 | C | C | . | . | trans | -69.6 | 162.5 | 179.5 | 30.4 | -35.2 | 0 | 0 | 0 | 112.5 | L822 E981 F989 | L822-P987 HydrophobicContact CB-CB 4.4Å; E981-P987 WeakPolarHBondContact CB-O 3.42Å; P987-F989 HydrophobicContact CB-CD1 4.35Å; P987-F989 HydrophobicContact CB-CD2 4.22Å; P987-F989 HydrophobicContact CB-CE1 3.82Å; P987-F989 HydrophobicContact CB-CE2 3.69Å; P987-F989 HydrophobicContact CB-CZ 3.46Å; P987-F989 VanDerWaalsContact CB-CZ 3.46Å; P987-F989 HydrophobicContact CG-CD2 3.87Å; P987-F989 HydrophobicContact CG-CE1 4.25Å; P987-F989 HydrophobicContact CG-CE2 3.19Å; P987-F989 HydrophobicContact CG-CZ 3.41Å; P987-F989 VanDerWaalsContact CG-CZ 3.41Å | ||
| 988 | L | 94 | Very high | 95 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | trans | -109.5 | 103.7 | 174.4 | -166.1 | 87.4 | 0 | 0 | 0 | 108.3 | K802 L804 L822 A824 R992 | K802-L988 HydrophobicContact CB-CD2 3.62Å; K802-L988 HydrophobicContact CG-CD2 3.68Å; L804-L988 HydrophobicContact CD2-CD2 3.7Å; L804-L988 HydrophobicContact CD2-CG 3.91Å; L822-L988 PolarHBondContact O-N 2.84Å; A824-L988 HydrophobicContact CB-CB 4.19Å; A824-L988 HydrophobicContact CB-CD1 4.01Å; A824-L988 HydrophobicContact CB-CD2 3.93Å; A824-L988 HydrophobicContact CB-CG 4.27Å; L988-R992 HydrophobicContact CD1-CB 3.74Å; L988-R992 VanDerWaalsContact CD1-CD 3.48Å; L988-R992 HydrophobicContact CD1-CG 3.44Å; L988-R992 VanDerWaalsContact CD1-CG 3.44Å | ||
| 989 | F | 95.3 | Very high | 95 | Very high | 11 Ų | 11 | 19.2 Ų | 19.2 | 5% | 0.048 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -111.1 | -41 | -177.7 | -64.9 | -45.7 | 0 | 0 | 0 | 112.3 | L804 I805 F816 L822 V936 E981 P987 | L804-F989 CarbonylContact C-O 3.57Å; L804-F989 WeakPolarHBondContact CA-O 3.32Å; I805-F989 WeakPolarHBondContact CG1-O 3.38Å; I805-F989 PolarHBondContact N-O 2.97Å; F816-F989 HydrophobicContact CB-CZ 4.15Å; F816-F989 AromaticContact CD1-CD1 3.97Å; F816-F989 HydrophobicContact CD1-CD1 3.97Å; F816-F989 HydrophobicContact CD1-CD2 4.22Å; F816-F989 AromaticContact CD1-CE1 3.83Å; F816-F989 HydrophobicContact CD1-CE1 3.83Å; F816-F989 HydrophobicContact CD1-CE2 4.06Å; F816-F989 HydrophobicContact CD1-CG 4.17Å; F816-F989 AromaticContact CD1-CZ 3.87Å; F816-F989 HydrophobicContact CD1-CZ 3.87Å; F816-F989 HydrophobicContact CE1-CD1 4.37Å; F816-F989 HydrophobicContact CE1-CG 4.37Å; L822-F989 HydrophobicContact CB-CE1 4.4Å; L822-F989 HydrophobicContact CD1-CE1 4.09Å; L822-F989 HydrophobicContact CD2-CE1 4.4Å; V936-F989 HydrophobicContact CG2-CB 3.8Å; V936-F989 HydrophobicContact CG2-CD2 3.58Å; V936-F989 HydrophobicContact CG2-CE2 4.39Å; V936-F989 HydrophobicContact CG2-CG 3.92Å; E981-F989 HydrophobicContact CG-CB 4.43Å; E981-F989 HydrophobicContact CG-CD2 4.45Å; E981-F989 PolarHBondContact OE1-N 3.21Å; P987-F989 HydrophobicContact CB-CD1 4.35Å; P987-F989 HydrophobicContact CB-CD2 4.22Å; P987-F989 HydrophobicContact CB-CE1 3.82Å; P987-F989 HydrophobicContact CB-CE2 3.69Å; P987-F989 HydrophobicContact CB-CZ 3.46Å; P987-F989 VanDerWaalsContact CB-CZ 3.46Å; P987-F989 HydrophobicContact CG-CD2 3.87Å; P987-F989 HydrophobicContact CG-CE1 4.25Å; P987-F989 HydrophobicContact CG-CE2 3.19Å; P987-F989 HydrophobicContact CG-CZ 3.41Å; P987-F989 VanDerWaalsContact CG-CZ 3.41Å |
| 990 | S | 96.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 18.8 Ų | 18.8 | 3% | 0.028 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -154.1 | -95.4 | -167.1 | -175.1 | 0 | 0 | 0 | 0 | 110.9 | I805 E981 R992 G993 I994 | I805-S990 PolarHBondContact O-OG 3.37Å; E981-S990 PolarHBondContact OE1-N 3.06Å; S990-R992 PolarHBondContact O-N 2.75Å; S990-G993 PolarHBondContact O-N 3.04Å; S990-I994 WeakPolarHBondContact O-CD1 3.45Å; S990-I994 VanDerWaalsContact O-CG1 3.29Å; S990-I994 WeakPolarHBondContact O-CG1 3.15Å; S990-I994 PolarHBondContact O-N 3.08Å |
| 991 | L | 97.2 | Very high | 95.1 | Very high | 10 Ų | 10 | 20.8 Ų | 20.8 | 5% | 0.052 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.1 | -43.5 | -160.6 | -54.9 | 177.2 | 0 | 0 | 0 | 112.9 | P807 E981 G993 I994 D995 Y999 Y1000 L1018 | P807-L991 HydrophobicContact CB-CD2 3.54Å; P807-L991 HydrophobicContact CG-CD2 4.18Å; E981-L991 PolarHBondContact OE2-N 3.03Å; L991-G993 VanDerWaalsContact C-N 3.31Å; L991-G993 PolarHBondContact O-N 2.83Å; L991-I994 PolarHBondContact O-N 2.84Å; L991-D995 CarbonylContact O-C 3.54Å; L991-D995 PolarHBondContact O-N 3.4Å; L991-Y999 HydrophobicContact CB-CD1 4.43Å; L991-Y999 HydrophobicContact CB-CD2 3.98Å; L991-Y999 HydrophobicContact CB-CG 3.88Å; L991-Y999 HydrophobicContact CD1-CD1 4.39Å; L991-Y999 HydrophobicContact CD2-CD1 3.77Å; L991-Y999 HydrophobicContact CD2-CD2 4.17Å; L991-Y999 HydrophobicContact CD2-CE1 3.67Å; L991-Y999 HydrophobicContact CD2-CE2 4.11Å; L991-Y999 HydrophobicContact CD2-CG 4.01Å; L991-Y999 HydrophobicContact CG-CD1 4.42Å; L991-Y999 HydrophobicContact CG-CG 4.36Å; L991-Y1000 HydrophobicContact CB-CE2 3.88Å; L991-L1018 HydrophobicContact CD1-CD2 3.66Å |
| 992 | R | 95.6 | Very high | 95.1 | Very high | 7 Ų | 7 | 21.5 Ų | 21.5 | 3% | 0.026 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.6 | -38.2 | 178 | 175.6 | -172 | -56.7 | 177.5 | -5.3 | 111.8 | R797 E981 L982 D983 G986 L988 S990 N996 Y1000 Y1008 | R797-R992 HydrophobicContact CB-CG 4.39Å; E981-R992 VanDerWaalsContact O-CZ 3.25Å; E981-R992 PolarHBondContact O-NH1 2.96Å; E981-R992 PolarHBondContact O-NH2 2.74Å; E981-R992 WeakPolarHBondContact OE2-CB 3.37Å; E981-R992 PolarHBondContact OE2-N 2.81Å; L982-R992 PolarHBondContact O-NH2 3.29Å; D983-R992 VanDerWaalsContact O-CZ 3.3Å; D983-R992 PolarHBondContact O-NH1 3.03Å; D983-R992 PolarHBondContact O-NH2 2.55Å; G986-R992 PolarHBondContact O-NH1 3.49Å; G986-R992 VanDerWaalsContact O-NH1 3.16Å; L988-R992 HydrophobicContact CD1-CB 3.74Å; L988-R992 VanDerWaalsContact CD1-CD 3.48Å; L988-R992 HydrophobicContact CD1-CG 3.44Å; L988-R992 VanDerWaalsContact CD1-CG 3.44Å; S990-R992 PolarHBondContact O-N 2.75Å; R992-N996 HydrophobicContact CG-CB 4.25Å; R992-N996 WeakPolarHBondContact CG-OD1 3.2Å; R992-N996 WeakPolarHBondContact O-CB 3.35Å; R992-N996 PolarHBondContact O-N 2.87Å; R992-Y1000 HydrophobicContact CB-CE2 4.02Å; R992-Y1008 PolarHBondContact NE-OH 2.81Å |
| 993 | G | 96 | Very high | 95 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -78.3 | -26.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L804 S990 L991 | L804-G993 WeakPolarHBondContact CD1-O 3.41Å; S990-G993 PolarHBondContact O-N 3.04Å; L991-G993 VanDerWaalsContact C-N 3.31Å; L991-G993 PolarHBondContact O-N 2.83Å |
| 994 | I | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -83 | -52.1 | -178.8 | -66.5 | 160.4 | 0 | 0 | 0 | 111.2 | L737 F738 S739 V786 F798 L804 P807 S990 L991 Y999 | L737-I994 HydrophobicContact CD1-CD1 3.92Å; L737-I994 HydrophobicContact CD1-CG1 4.36Å; L737-I994 HydrophobicContact CD1-CG2 4.07Å; L737-I994 HydrophobicContact CD2-CG1 4.49Å; L737-I994 HydrophobicContact CD2-CG2 4.11Å; L737-I994 HydrophobicContact CG-CG2 4.05Å; F738-I994 WeakPolarHBondContact O-CG2 3.32Å; S739-I994 PolarHBondContact OG-O 2.94Å; V786-I994 HydrophobicContact CG2-CG1 4.28Å; F798-I994 WeakPolarHBondContact CE1-O 3.28Å; F798-I994 WeakPolarHBondContact CZ-O 3.37Å; L804-I994 HydrophobicContact CB-CG1 4.48Å; L804-I994 HydrophobicContact CD1-CG1 3.85Å; P807-I994 HydrophobicContact CG-CD1 3.99Å; S990-I994 WeakPolarHBondContact O-CD1 3.45Å; S990-I994 VanDerWaalsContact O-CG1 3.29Å; S990-I994 WeakPolarHBondContact O-CG1 3.15Å; S990-I994 PolarHBondContact O-N 3.08Å; L991-I994 PolarHBondContact O-N 2.84Å; I994-Y999 HydrophobicContact CB-CE2 4.4Å; I994-Y999 HydrophobicContact CG2-CE2 4.07Å |
| 995 | D | 97.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -165.9 | 78.1 | 174.8 | -160.1 | -31.3 | 0 | 0 | 0 | 111.4 | A740 H741 F798 L991 R997 S998 Y999 | A740-D995 PolarHBondContact N-OD2 2.78Å; H741-D995 IonicContact CE1-OD1 2.89Å; H741-D995 IonicContact CE1-OD2 3.55Å; H741-D995 IonicContact CG-OD1 3.11Å; H741-D995 IonicContact CG-OD2 3.81Å; H741-D995 PolarHBondContact N-OD2 2.85Å; H741-D995 VanDerWaalsContact ND1-CG 3.29Å; H741-D995 IonicContact ND1-OD1 3.04Å; H741-D995 PolarHBondContact ND1-OD1 3.39Å; H741-D995 IonicContact ND1-OD2 2.64Å; H741-D995 PolarHBondContact ND1-OD2 2.9Å; F798-D995 HydrophobicContact CZ-CB 4.41Å; L991-D995 CarbonylContact O-C 3.54Å; L991-D995 PolarHBondContact O-N 3.4Å; D995-R997 PolarHBondContact O-N 3.02Å; D995-R997 VanDerWaalsContact O-N 3.14Å; D995-S998 PolarHBondContact O-N 3.35Å; D995-S998 PolarHBondContact OD1-N 2.73Å; D995-S998 PolarHBondContact OD1-OG 2.95Å; D995-S998 PolarHBondContact OD2-OG 3.42Å; D995-Y999 HydrophobicContact CB-CD2 4.16Å; D995-Y999 HydrophobicContact CB-CE2 4.25Å; D995-Y999 VanDerWaalsContact O-CD2 3.27Å; D995-Y999 WeakPolarHBondContact O-CD2 3.14Å; D995-Y999 PolarHBondContact O-N 2.89Å; D995-Y999 VanDerWaalsContact O-N 3.1Å |
| 996 | N | 96.5 | Very high | 94.8 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -52.5 | -39.2 | -175.5 | -167 | 44.5 | 0 | 0 | 0 | 114.2 | G795 R797 R992 Y1000 I1002 Y1008 | G795-N996 VanDerWaalsContact O-CB 3.26Å; G795-N996 WeakPolarHBondContact O-CB 3.41Å; G795-N996 PolarHBondContact O-ND2 2.92Å; R797-N996 HydrophobicContact CB-CB 4.47Å; R992-N996 HydrophobicContact CG-CB 4.25Å; R992-N996 WeakPolarHBondContact CG-OD1 3.2Å; R992-N996 WeakPolarHBondContact O-CB 3.35Å; R992-N996 PolarHBondContact O-N 2.87Å; N996-Y1000 PolarHBondContact O-N 2.95Å; N996-Y1000 WeakPolarHBondContact OD1-CD2 3.2Å; N996-I1002 WeakPolarHBondContact ND2-CD1 3.22Å; N996-Y1008 PolarHBondContact ND2-OH 3.38Å; N996-Y1008 WeakPolarHBondContact OD1-CE1 3.41Å; N996-Y1008 PolarHBondContact OD1-OH 3.37Å |
| 997 | R | 95.6 | Very high | 94.8 | Very high | 103 Ų | 103 | 31.8 Ų | 31.8 | 39% | 0.389 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -72.1 | -34.5 | -174.6 | -174.5 | 64.4 | 178.6 | -157.4 | 13 | 111.8 | E794 D995 | E794-R997 WeakPolarHBondContact O-CD 3.48Å; E794-R997 PolarHBondContact O-NH1 3.48Å; D995-R997 PolarHBondContact O-N 3.02Å; D995-R997 VanDerWaalsContact O-N 3.14Å |
| 998 | S | 96.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -76.5 | -44 | 176.6 | -64.9 | 0 | 0 | 0 | 0 | 112 | D995 V1025 | D995-S998 PolarHBondContact O-N 3.35Å; D995-S998 PolarHBondContact OD1-N 2.73Å; D995-S998 PolarHBondContact OD1-OG 2.95Å; D995-S998 PolarHBondContact OD2-OG 3.42Å; S998-V1025 VanDerWaalsContact O-CG2 3.3Å; S998-V1025 WeakPolarHBondContact O-CG2 3.33Å |
| 999 | Y | 97.5 | Very high | 94.8 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -78.2 | -25.9 | -172.7 | -75.4 | -72 | 0 | 0 | 0 | 115 | F738 L991 I994 D995 L1018 N1019 V1025 | F738-Y999 HydrophobicContact CD1-CE1 4.25Å; F738-Y999 AromaticContact CD1-CE2 3.99Å; F738-Y999 HydrophobicContact CD1-CE2 3.99Å; F738-Y999 AromaticContact CD1-CZ 3.64Å; F738-Y999 WeakPolarHBondContact CD1-OH 3.36Å; F738-Y999 HydrophobicContact CE1-CE2 4.3Å; L991-Y999 HydrophobicContact CB-CD1 4.43Å; L991-Y999 HydrophobicContact CB-CD2 3.98Å; L991-Y999 HydrophobicContact CB-CG 3.88Å; L991-Y999 HydrophobicContact CD1-CD1 4.39Å; L991-Y999 HydrophobicContact CD2-CD1 3.77Å; L991-Y999 HydrophobicContact CD2-CD2 4.17Å; L991-Y999 HydrophobicContact CD2-CE1 3.67Å; L991-Y999 HydrophobicContact CD2-CE2 4.11Å; L991-Y999 HydrophobicContact CD2-CG 4.01Å; L991-Y999 HydrophobicContact CG-CD1 4.42Å; L991-Y999 HydrophobicContact CG-CG 4.36Å; I994-Y999 HydrophobicContact CB-CE2 4.4Å; I994-Y999 HydrophobicContact CG2-CE2 4.07Å; D995-Y999 HydrophobicContact CB-CD2 4.16Å; D995-Y999 HydrophobicContact CB-CE2 4.25Å; D995-Y999 VanDerWaalsContact O-CD2 3.27Å; D995-Y999 WeakPolarHBondContact O-CD2 3.14Å; D995-Y999 PolarHBondContact O-N 2.89Å; D995-Y999 VanDerWaalsContact O-N 3.1Å; Y999-L1018 CarbonylContact O-C 3.56Å; Y999-L1018 WeakPolarHBondContact O-CA 3.35Å; Y999-L1018 WeakPolarHBondContact O-CD2 3.35Å; Y999-N1019 PolarHBondContact O-N 3.46Å; Y999-V1025 HydrophobicContact CD1-CG1 4.32Å; Y999-V1025 HydrophobicContact CD1-CG2 3.92Å; Y999-V1025 HydrophobicContact CE1-CG2 4.45Å |
| 1000 | Y | 97.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | B | Isolated β-bridge | trans | -122.4 | 152.6 | -174.7 | -60.6 | -75.2 | 0 | 0 | 0 | 113.6 | S979 E981 L991 R992 N996 I1002 Y1008 N1016 T1017 L1018 | S979-Y1000 WeakPolarHBondContact CB-OH 2.96Å; S979-Y1000 PolarHBondContact OG-OH 2.91Å; E981-Y1000 PolarHBondContact OE2-OH 3.42Å; L991-Y1000 HydrophobicContact CB-CE2 3.88Å; R992-Y1000 HydrophobicContact CB-CE2 4.02Å; N996-Y1000 PolarHBondContact O-N 2.95Å; N996-Y1000 WeakPolarHBondContact OD1-CD2 3.2Å; Y1000-I1002 PolarHBondContact O-N 3.37Å; Y1000-Y1008 HydrophobicContact CD2-CE1 4.01Å; Y1000-Y1008 HydrophobicContact CG-CD1 4.24Å; Y1000-Y1008 AromaticContact CG-CE1 3.92Å; Y1000-Y1008 HydrophobicContact CG-CE1 3.92Å; Y1000-N1016 HydrophobicContact CD1-CB 3.88Å; Y1000-N1016 HydrophobicContact CE1-CB 4Å; Y1000-N1016 WeakPolarHBondContact CE1-OD1 3.38Å; Y1000-T1017 WeakPolarHBondContact CA-O 3.38Å; Y1000-L1018 HydrophobicContact CD1-CD2 3.93Å; Y1000-L1018 HydrophobicContact CE1-CD2 3.62Å; Y1000-L1018 HydrophobicContact CE1-CG 4.35Å |
| 1001 | W | 96 | Very high | 94.7 | Very high | 44 Ų | 44 | 38.3 Ų | 38.3 | 17% | 0.167 | 18% | 0.175 | C | C | . | . | trans | -72.7 | 112.4 | 166.2 | -79.9 | 102.2 | 0 | 0 | 0 | 110.1 | Y1008 H1009 W1011 T1017 L1018 N1019 S1021 P1057 | W1001-Y1008 WeakPolarHBondContact O-CA 3.47Å; W1001-H1009 HydrophobicContact CB-CB 3.81Å; W1001-H1009 PolarHBondContact O-N 3.32Å; W1001-W1011 AromaticContact CD1-CZ3 3.53Å; W1001-W1011 AromaticContact CD2-CH2 3.67Å; W1001-W1011 HydrophobicContact CD2-CH2 3.67Å; W1001-W1011 AromaticContact CD2-CZ3 3.93Å; W1001-W1011 HydrophobicContact CD2-CZ3 3.93Å; W1001-W1011 AromaticContact CE2-CH2 3.81Å; W1001-W1011 AromaticContact CE2-CZ3 3.8Å; W1001-W1011 HydrophobicContact CE3-CH2 4.09Å; W1001-W1011 AromaticContact CG-CH2 3.86Å; W1001-W1011 HydrophobicContact CG-CH2 3.86Å; W1001-W1011 AromaticContact CG-CZ3 3.78Å; W1001-W1011 HydrophobicContact CG-CZ3 3.78Å; W1001-W1011 HydrophobicContact CZ2-CH2 4.34Å; W1001-W1011 AromaticContact NE1-CZ3 3.52Å; W1001-T1017 PolarHBondContact N-O 3.04Å; W1001-L1018 VanDerWaalsContact CD1-O 3.31Å; W1001-N1019 HydrophobicContact CG-CB 4.33Å; W1001-N1019 WeakPolarHBondContact CZ2-OD1 3.28Å; W1001-N1019 PolarHBondContact NE1-OD1 2.92Å; W1001-S1021 WeakPolarHBondContact CZ2-OG 3.42Å; W1001-P1057 HydrophobicContact CH2-CB 4.17Å; W1001-P1057 HydrophobicContact CZ3-CB 4.32Å | ||
| 1002 | I | 94.9 | Very high | 94.6 | Very high | 18 Ų | 18 | 38.3 Ų | 38.3 | 9% | 0.092 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -111.7 | 131.3 | -179 | -56 | -159.1 | 0 | 0 | 0 | 110.2 | N996 Y1000 Y1008 | N996-I1002 WeakPolarHBondContact ND2-CD1 3.22Å; Y1000-I1002 PolarHBondContact O-N 3.37Å; I1002-Y1008 HydrophobicContact CD1-CE1 4.11Å; I1002-Y1008 HydrophobicContact CG1-CD1 4.17Å; I1002-Y1008 HydrophobicContact CG1-CE1 4.25Å |
| 1003 | R | 92.8 | Very high | 94.4 | Very high | 102 Ų | 102 | 40.1 Ų | 40.1 | 39% | 0.385 | 20% | 0.196 | S | C | . | . | trans | -74.4 | 168.3 | 175.9 | -70 | 162.9 | 40.6 | 163.5 | -2.6 | 111.5 | D1005 G1006 D1007 Y1008 H1009 | R1003-D1005 WeakPolarHBondContact CB-OD1 3.4Å; R1003-D1005 IonicContact CZ-OD1 3.9Å; R1003-D1005 IonicContact CZ-OD2 3.55Å; R1003-D1005 IonicContact NE-OD1 2.73Å; R1003-D1005 PolarHBondContact NE-OD1 2.97Å; R1003-D1005 IonicContact NE-OD2 3.03Å; R1003-D1005 VanDerWaalsContact NH2-CG 3.33Å; R1003-D1005 IonicContact NH2-OD1 3.31Å; R1003-D1005 PolarHBondContact NH2-OD1 3.02Å; R1003-D1005 IonicContact NH2-OD2 2.71Å; R1003-D1005 PolarHBondContact NH2-OD2 2.95Å; R1003-D1005 PolarHBondContact O-N 3.23Å; R1003-D1005 VanDerWaalsContact O-N 3.16Å; R1003-G1006 PolarHBondContact O-N 3.24Å; R1003-D1007 WeakPolarHBondContact CB-O 3.2Å; R1003-D1007 PolarHBondContact N-O 3.2Å; R1003-Y1008 WeakPolarHBondContact CD-O 3.15Å; R1003-H1009 WeakPolarHBondContact CG-NE2 3.37Å | ||
| 1004 | E | 88.9 | Confident | 94.2 | Very high | 203 Ų | 203 | 42.3 Ų | 42.3 | 95% | 0.949 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -23.6 | 177.7 | -65.4 | -175.8 | 170.1 | 0 | 0 | 114.4 | ||
| 1005 | D | 89.3 | Confident | 94 | Very high | 93 Ų | 93 | 42.7 Ų | 42.7 | 50% | 0.497 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 6.1 | 177.4 | 62.7 | -18.2 | 0 | 0 | 0 | 114.1 | R1003 D1007 | R1003-D1005 WeakPolarHBondContact CB-OD1 3.4Å; R1003-D1005 IonicContact CZ-OD1 3.9Å; R1003-D1005 IonicContact CZ-OD2 3.55Å; R1003-D1005 IonicContact NE-OD1 2.73Å; R1003-D1005 PolarHBondContact NE-OD1 2.97Å; R1003-D1005 IonicContact NE-OD2 3.03Å; R1003-D1005 VanDerWaalsContact NH2-CG 3.33Å; R1003-D1005 IonicContact NH2-OD1 3.31Å; R1003-D1005 PolarHBondContact NH2-OD1 3.02Å; R1003-D1005 IonicContact NH2-OD2 2.71Å; R1003-D1005 PolarHBondContact NH2-OD2 2.95Å; R1003-D1005 PolarHBondContact O-N 3.23Å; R1003-D1005 VanDerWaalsContact O-N 3.16Å; D1005-D1007 VanDerWaalsContact C-N 3.3Å; D1005-D1007 PolarHBondContact O-N 3.37Å |
| 1006 | G | 89.1 | Confident | 93.9 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | S | Bend | trans | 82.7 | 1.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | R1003 | R1003-G1006 PolarHBondContact O-N 3.24Š|
| 1007 | D | 92.1 | Very high | 94 | Very high | 54 Ų | 54 | 42.6 Ų | 42.6 | 29% | 0.289 | 22% | 0.215 | S | C | . | . | P | Polyproline II helix | trans | -87.3 | 167.7 | 173.1 | -155.6 | -6.4 | 0 | 0 | 0 | 111.5 | L984 R1003 D1005 | L984-D1007 HydrophobicContact CD1-CB 4.21Å; L984-D1007 WeakPolarHBondContact CD1-OD1 3.46Å; R1003-D1007 WeakPolarHBondContact CB-O 3.2Å; R1003-D1007 PolarHBondContact N-O 3.2Å; D1005-D1007 VanDerWaalsContact C-N 3.3Å; D1005-D1007 PolarHBondContact O-N 3.37Å |
| 1008 | Y | 94.9 | Very high | 94 | Very high | 6 Ų | 6 | 38 Ų | 38 | 2% | 0.024 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -83.7 | 148.2 | -178.8 | -59.5 | -67 | 0 | 0 | 0 | 112.8 | L984 R992 N996 Y1000 W1001 I1002 R1003 N1010 G1015 N1016 | L984-Y1008 HydrophobicContact CD2-CD2 4.24Å; L984-Y1008 HydrophobicContact CD2-CE2 3.62Å; L984-Y1008 HydrophobicContact CG-CD2 4.41Å; L984-Y1008 HydrophobicContact CG-CE2 4.17Å; R992-Y1008 PolarHBondContact NE-OH 2.81Å; N996-Y1008 PolarHBondContact ND2-OH 3.38Å; N996-Y1008 WeakPolarHBondContact OD1-CE1 3.41Å; N996-Y1008 PolarHBondContact OD1-OH 3.37Å; Y1000-Y1008 HydrophobicContact CD2-CE1 4.01Å; Y1000-Y1008 HydrophobicContact CG-CD1 4.24Å; Y1000-Y1008 AromaticContact CG-CE1 3.92Å; Y1000-Y1008 HydrophobicContact CG-CE1 3.92Å; W1001-Y1008 WeakPolarHBondContact O-CA 3.47Å; I1002-Y1008 HydrophobicContact CD1-CE1 4.11Å; I1002-Y1008 HydrophobicContact CG1-CD1 4.17Å; I1002-Y1008 HydrophobicContact CG1-CE1 4.25Å; R1003-Y1008 WeakPolarHBondContact CD-O 3.15Å; Y1008-N1010 PolarHBondContact O-N 3.09Å; Y1008-G1015 WeakPolarHBondContact CB-O 3.43Å; Y1008-N1016 HydrophobicContact CD1-CB 4.33Å; Y1008-N1016 HydrophobicContact CD2-CB 4.16Å; Y1008-N1016 HydrophobicContact CG-CB 4.02Å |
| 1009 | H | 94.7 | Very high | 94.1 | Very high | 59 Ų | 59 | 38.9 Ų | 38.9 | 27% | 0.273 | 20% | 0.202 | S | C | . | . | P | Polyproline II helix | trans | -69.6 | 126.3 | 153.3 | -73.7 | -81.3 | 0 | 0 | 0 | 108.7 | W1001 R1003 W1011 N1016 T1017 | W1001-H1009 HydrophobicContact CB-CB 3.81Å; W1001-H1009 PolarHBondContact O-N 3.32Å; R1003-H1009 WeakPolarHBondContact CG-NE2 3.37Å; H1009-W1011 HydrophobicContact CB-CD2 4.21Å; H1009-W1011 HydrophobicContact CB-CZ2 4.02Å; H1009-W1011 AromaticContact CG-CE2 3.98Å; H1009-W1011 AromaticContact CG-CZ2 3.84Å; H1009-W1011 AromaticContact ND1-CE2 3.89Å; H1009-W1011 AromaticContact ND1-CZ2 3.82Å; H1009-W1011 AromaticContact ND1-NE1 3.66Å; H1009-N1016 CarbonylContact O-C 3.46Å; H1009-T1017 VanDerWaalsContact O-CB 3.31Å; H1009-T1017 WeakPolarHBondContact O-CB 3.15Å; H1009-T1017 PolarHBondContact O-N 3.39Å; H1009-T1017 PolarHBondContact O-OG1 3.16Å |
| 1010 | N | 94.6 | Very high | 94 | Very high | 67 Ų | 67 | 38.9 Ų | 38.9 | 36% | 0.358 | 20% | 0.203 | S | C | . | . | trans | -113.8 | 70.8 | 178.5 | -174.9 | 15 | 0 | 0 | 0 | 109.9 | Y1008 T1012 G1013 C1014 G1015 | Y1008-N1010 PolarHBondContact O-N 3.09Å; N1010-T1012 PolarHBondContact OD1-OG1 3.35Å; N1010-G1013 VanDerWaalsContact OD1-C 3.26Å; N1010-G1013 VanDerWaalsContact OD1-CA 3.26Å; N1010-G1013 WeakPolarHBondContact OD1-CA 3.44Å; N1010-G1013 PolarHBondContact OD1-N 3.5Å; N1010-C1014 PolarHBondContact OD1-N 2.63Å; N1010-G1015 VanDerWaalsContact CG-N 3.27Å; N1010-G1015 PolarHBondContact ND2-N 2.95Å; N1010-G1015 PolarHBondContact OD1-N 2.79Å | ||
| 1011 | W | 94.7 | Very high | 93.9 | Very high | 28 Ų | 28 | 40.3 Ų | 40.3 | 11% | 0.106 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -80.8 | -9.9 | 177.7 | -57.7 | -31.6 | 0 | 0 | 0 | 112.8 | W1001 H1009 T1017 V1052 R1055 P1057 I1087 A1088 | W1001-W1011 AromaticContact CD1-CZ3 3.53Å; W1001-W1011 AromaticContact CD2-CH2 3.67Å; W1001-W1011 HydrophobicContact CD2-CH2 3.67Å; W1001-W1011 AromaticContact CD2-CZ3 3.93Å; W1001-W1011 HydrophobicContact CD2-CZ3 3.93Å; W1001-W1011 AromaticContact CE2-CH2 3.81Å; W1001-W1011 AromaticContact CE2-CZ3 3.8Å; W1001-W1011 HydrophobicContact CE3-CH2 4.09Å; W1001-W1011 AromaticContact CG-CH2 3.86Å; W1001-W1011 HydrophobicContact CG-CH2 3.86Å; W1001-W1011 AromaticContact CG-CZ3 3.78Å; W1001-W1011 HydrophobicContact CG-CZ3 3.78Å; W1001-W1011 HydrophobicContact CZ2-CH2 4.34Å; W1001-W1011 AromaticContact NE1-CZ3 3.52Å; H1009-W1011 HydrophobicContact CB-CD2 4.21Å; H1009-W1011 HydrophobicContact CB-CZ2 4.02Å; H1009-W1011 AromaticContact CG-CE2 3.98Å; H1009-W1011 AromaticContact CG-CZ2 3.84Å; H1009-W1011 AromaticContact ND1-CE2 3.89Å; H1009-W1011 AromaticContact ND1-CZ2 3.82Å; H1009-W1011 AromaticContact ND1-NE1 3.66Å; W1011-T1017 HydrophobicContact CB-CG2 4.49Å; W1011-T1017 HydrophobicContact CD2-CG2 4.4Å; W1011-T1017 HydrophobicContact CE3-CG2 3.61Å; W1011-T1017 HydrophobicContact CZ3-CG2 4.25Å; W1011-T1017 PolarHBondContact N-OG1 2.94Å; W1011-V1052 HydrophobicContact CB-CG2 4.48Å; W1011-R1055 HydrophobicContact CE3-CB 4.27Å; W1011-R1055 HydrophobicContact CE3-CG 4.29Å; W1011-R1055 HydrophobicContact CH2-CB 4.45Å; W1011-R1055 HydrophobicContact CZ3-CB 3.75Å; W1011-R1055 VanDerWaalsContact CZ3-CD 3.42Å; W1011-R1055 HydrophobicContact CZ3-CG 4.22Å; W1011-P1057 HydrophobicContact CH2-CB 3.63Å; W1011-P1057 HydrophobicContact CZ2-CB 3.92Å; W1011-I1087 WeakPolarHBondContact O-CG1 3.47Å; W1011-I1087 PolarHBondContact O-N 2.99Å; W1011-A1088 HydrophobicContact CB-CB 3.63Å; W1011-A1088 HydrophobicContact CG-CB 3.54Å |
| 1012 | T | 93.8 | Very high | 93.9 | Very high | 9 Ų | 9 | 40.6 Ų | 40.6 | 6% | 0.055 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -94.5 | -25.4 | -178.3 | 59.2 | 0 | 0 | 0 | 0 | 112.5 | N977 H978 N1010 C1014 N1016 T1017 L1049 V1052 | N977-T1012 HydrophobicContact CB-CG2 3.88Å; N977-T1012 VanDerWaalsContact OD1-CG2 3.3Å; N977-T1012 WeakPolarHBondContact OD1-CG2 3.26Å; H978-T1012 HydrophobicContact CB-CG2 4.11Å; N1010-T1012 PolarHBondContact OD1-OG1 3.35Å; T1012-C1014 VanDerWaalsContact C-N 3.29Å; T1012-C1014 PolarHBondContact OG1-N 2.9Å; T1012-C1014 VanDerWaalsContact OG1-N 3.15Å; T1012-N1016 PolarHBondContact OG1-O 3.47Å; T1012-T1017 HydrophobicContact CG2-CG2 4.33Å; T1012-L1049 HydrophobicContact CG2-CD1 4.35Å; T1012-L1049 WeakPolarHBondContact O-CD1 3.48Å; T1012-V1052 HydrophobicContact CG2-CG2 4.04Å |
| 1013 | G | 91.8 | Very high | 93.9 | Very high | 45 Ų | 45 | 44 Ų | 44 | 46% | 0.464 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 87.2 | -5.5 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | N1010 | N1010-G1013 VanDerWaalsContact OD1-C 3.26Å; N1010-G1013 VanDerWaalsContact OD1-CA 3.26Å; N1010-G1013 WeakPolarHBondContact OD1-CA 3.44Å; N1010-G1013 PolarHBondContact OD1-N 3.5Å |
| 1014 | C | 92.6 | Very high | 93.9 | Very high | 47 Ų | 47 | 40 Ų | 40 | 32% | 0.318 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -97.9 | 4.6 | -174.3 | -60.9 | 0 | 0 | 0 | 0 | 114.7 | H978 L982 N1010 T1012 | H978-C1014 HydrophobicContact CB-CB 4.16Å; H978-C1014 WeakPolarHBondContact CD2-CB 3.38Å; H978-C1014 PolarHBondContact CE1-SG 3.43Å; L982-C1014 WeakPolarHBondContact CD2-O 3.2Å; N1010-C1014 PolarHBondContact OD1-N 2.63Å; T1012-C1014 VanDerWaalsContact C-N 3.29Å; T1012-C1014 PolarHBondContact OG1-N 2.9Å; T1012-C1014 VanDerWaalsContact OG1-N 3.15Å |
| 1015 | G | 93.4 | Very high | 94.2 | Very high | 9 Ų | 9 | 30.3 Ų | 30.3 | 9% | 0.093 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 101.5 | -22 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y1008 N1010 | Y1008-G1015 WeakPolarHBondContact CB-O 3.43Å; N1010-G1015 VanDerWaalsContact CG-N 3.27Å; N1010-G1015 PolarHBondContact ND2-N 2.95Å; N1010-G1015 PolarHBondContact OD1-N 2.79Å |
| 1016 | N | 95.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -140.6 | 165.7 | 172.1 | 65.4 | 57.8 | 0 | 0 | 0 | 111.4 | H978 S979 L982 Y1000 Y1008 H1009 T1012 | H978-N1016 WeakPolarHBondContact CA-OD1 3.41Å; H978-N1016 WeakPolarHBondContact CB-O 3.33Å; H978-N1016 WeakPolarHBondContact CB-OD1 3.35Å; S979-N1016 PolarHBondContact N-OD1 3.29Å; S979-N1016 PolarHBondContact O-ND2 3.31Å; S979-N1016 VanDerWaalsContact O-ND2 3.1Å; S979-N1016 PolarHBondContact OG-ND2 3.26Å; L982-N1016 PolarHBondContact N-ND2 3.33Å; L982-N1016 VanDerWaalsContact N-ND2 3.12Å; L982-N1016 WeakPolarHBondContact O-CB 3.43Å; L982-N1016 PolarHBondContact O-ND2 3Å; Y1000-N1016 HydrophobicContact CD1-CB 3.88Å; Y1000-N1016 HydrophobicContact CE1-CB 4Å; Y1000-N1016 WeakPolarHBondContact CE1-OD1 3.38Å; Y1008-N1016 HydrophobicContact CD1-CB 4.33Å; Y1008-N1016 HydrophobicContact CD2-CB 4.16Å; Y1008-N1016 HydrophobicContact CG-CB 4.02Å; H1009-N1016 CarbonylContact O-C 3.46Å; T1012-N1016 PolarHBondContact OG1-O 3.47Å | ||
| 1017 | T | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -135 | 127.9 | 172.8 | -50 | 0 | 0 | 0 | 0 | 108.7 | N977 Y1000 W1001 H1009 W1011 T1012 V1052 | N977-T1017 CarbonylContact O-C 3.52Å; N977-T1017 WeakPolarHBondContact O-CA 3.21Å; Y1000-T1017 WeakPolarHBondContact CA-O 3.38Å; W1001-T1017 PolarHBondContact N-O 3.04Å; H1009-T1017 VanDerWaalsContact O-CB 3.31Å; H1009-T1017 WeakPolarHBondContact O-CB 3.15Å; H1009-T1017 PolarHBondContact O-N 3.39Å; H1009-T1017 PolarHBondContact O-OG1 3.16Å; W1011-T1017 HydrophobicContact CB-CG2 4.49Å; W1011-T1017 HydrophobicContact CD2-CG2 4.4Å; W1011-T1017 HydrophobicContact CE3-CG2 3.61Å; W1011-T1017 HydrophobicContact CZ3-CG2 4.25Å; W1011-T1017 PolarHBondContact N-OG1 2.94Å; T1012-T1017 HydrophobicContact CG2-CG2 4.33Å; T1017-V1052 HydrophobicContact CG2-CG1 3.43Å; T1017-V1052 VanDerWaalsContact CG2-CG1 3.43Å; T1017-V1052 HydrophobicContact CG2-CG2 4.42Å | ||
| 1018 | L | 96.9 | Very high | 95.1 | Very high | 6 Ų | 6 | 27.4 Ų | 27.4 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | B | Isolated β-bridge | trans | -67.3 | 140.9 | 174.7 | -73.3 | 173 | 0 | 0 | 0 | 111.4 | L976 N977 L991 Y999 Y1000 W1001 L1020 | L976-L1018 WeakPolarHBondContact O-CD1 3.26Å; N977-L1018 PolarHBondContact O-N 3.27Å; L991-L1018 HydrophobicContact CD1-CD2 3.66Å; Y999-L1018 CarbonylContact O-C 3.56Å; Y999-L1018 WeakPolarHBondContact O-CA 3.35Å; Y999-L1018 WeakPolarHBondContact O-CD2 3.35Å; Y1000-L1018 HydrophobicContact CD1-CD2 3.93Å; Y1000-L1018 HydrophobicContact CE1-CD2 3.62Å; Y1000-L1018 HydrophobicContact CE1-CG 4.35Å; W1001-L1018 VanDerWaalsContact CD1-O 3.31Å; L1018-L1020 HydrophobicContact CB-CG 4.44Å; L1018-L1020 PolarHBondContact O-N 3.14Å; L1018-L1020 VanDerWaalsContact O-N 3.16Å |
| 1019 | N | 96.9 | Very high | 95.2 | Very high | 19 Ų | 19 | 27.1 Ų | 27.1 | 10% | 0.102 | 17% | 0.165 | C | C | . | . | trans | -88 | 74.5 | 179.6 | -173 | 3.2 | 0 | 0 | 0 | 112 | Y999 W1001 S1021 H1022 V1025 | Y999-N1019 PolarHBondContact O-N 3.46Å; W1001-N1019 HydrophobicContact CG-CB 4.33Å; W1001-N1019 WeakPolarHBondContact CZ2-OD1 3.28Å; W1001-N1019 PolarHBondContact NE1-OD1 2.92Å; N1019-S1021 PolarHBondContact O-N 3.06Å; N1019-S1021 PolarHBondContact OD1-N 3.2Å; N1019-S1021 PolarHBondContact OD1-OG 2.89Å; N1019-H1022 WeakPolarHBondContact O-CB 3.36Å; N1019-H1022 PolarHBondContact O-N 3.2Å; N1019-H1022 VanDerWaalsContact O-N 3.1Å; N1019-V1025 WeakPolarHBondContact O-CB 3.47Å | ||
| 1020 | L | 96.6 | Very high | 95.3 | Very high | 5 Ų | 5 | 24.8 Ų | 24.8 | 3% | 0.026 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 9.6 | 177.6 | -58.8 | 171.9 | 0 | 0 | 0 | 114.1 | L976 L1018 V1025 V1026 A1029 M1053 L1065 | L976-L1020 HydrophobicContact CB-CD1 4.21Å; L976-L1020 WeakPolarHBondContact O-CD1 3.46Å; L1018-L1020 HydrophobicContact CB-CG 4.44Å; L1018-L1020 PolarHBondContact O-N 3.14Å; L1018-L1020 VanDerWaalsContact O-N 3.16Å; L1020-V1025 HydrophobicContact CD2-CG1 4.13Å; L1020-V1026 WeakPolarHBondContact O-CG2 3.5Å; L1020-A1029 HydrophobicContact CD2-CB 4.12Å; L1020-M1053 HydrophobicContact CD1-CB 4.21Å; L1020-M1053 HydrophobicContact CD1-CG 3.84Å; L1020-L1065 HydrophobicContact CB-CD2 4.16Å; L1020-L1065 HydrophobicContact CD1-CD2 3.75Å; L1020-L1065 HydrophobicContact CD2-CD2 4.1Å; L1020-L1065 HydrophobicContact CG-CD2 4.22Å |
| 1021 | S | 95.1 | Very high | 95.4 | Very high | 31 Ų | 31 | 22.3 Ų | 22.3 | 22% | 0.217 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -17.2 | 167.9 | 78.7 | 0 | 0 | 0 | 0 | 112.7 | W1001 N1019 | W1001-S1021 WeakPolarHBondContact CZ2-OG 3.42Å; N1019-S1021 PolarHBondContact O-N 3.06Å; N1019-S1021 PolarHBondContact OD1-N 3.2Å; N1019-S1021 PolarHBondContact OD1-OG 2.89Å |
| 1022 | H | 95.8 | Very high | 95.5 | Very high | 49 Ų | 49 | 21 Ų | 21 | 23% | 0.227 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -78.5 | 129.2 | 179.6 | -171.5 | -71.6 | 0 | 0 | 0 | 110.7 | F738 N1019 A1024 V1025 V1026 | F738-H1022 AromaticContact CZ-CE1 3.83Å; N1019-H1022 WeakPolarHBondContact O-CB 3.36Å; N1019-H1022 PolarHBondContact O-N 3.2Å; N1019-H1022 VanDerWaalsContact O-N 3.1Å; H1022-A1024 PolarHBondContact ND1-N 3.36Å; H1022-A1024 PolarHBondContact O-N 3.28Å; H1022-V1025 HydrophobicContact CB-CB 4.22Å; H1022-V1025 HydrophobicContact CB-CG2 3.85Å; H1022-V1025 PolarHBondContact O-N 3.04Å; H1022-V1026 PolarHBondContact O-N 2.96Å |
| 1023 | P | 94.1 | Very high | 95.7 | Very high | 89 Ų | 89 | 20.6 Ų | 20.6 | 58% | 0.578 | 14% | 0.136 | S | C | * | . | H | α-helix | trans | -52.2 | -50.6 | -173.7 | -28.6 | 34.4 | 0 | 0 | 0 | 114.3 | V1025 V1026 D1027 | P1023-V1025 VanDerWaalsContact C-N 3.27Å; P1023-V1025 PolarHBondContact O-N 2.77Å; P1023-V1026 WeakPolarHBondContact O-CB 3.28Å; P1023-V1026 PolarHBondContact O-N 3.42Å; P1023-V1026 VanDerWaalsContact O-N 3.14Å; P1023-D1027 PolarHBondContact O-N 3.04Å |
| 1024 | A | 93.1 | Very high | 96 | Very high | 19 Ų | 19 | 23.1 Ų | 23.1 | 16% | 0.157 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.3 | -27.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | F738 H1022 Y1028 | F738-A1024 HydrophobicContact CD1-CB 3.89Å; F738-A1024 HydrophobicContact CD2-CB 3.56Å; F738-A1024 HydrophobicContact CE1-CB 3.61Å; F738-A1024 HydrophobicContact CE2-CB 3.21Å; F738-A1024 HydrophobicContact CG-CB 3.9Å; F738-A1024 HydrophobicContact CZ-CB 3.27Å; H1022-A1024 PolarHBondContact ND1-N 3.36Å; H1022-A1024 PolarHBondContact O-N 3.28Å; A1024-Y1028 WeakPolarHBondContact O-CB 3.46Å; A1024-Y1028 PolarHBondContact O-N 2.89Å |
| 1025 | V | 96.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -78.4 | -33.2 | 177 | -172.8 | 0 | 0 | 0 | 0 | 110.1 | S998 Y999 N1019 L1020 H1022 P1023 Y1028 A1029 | S998-V1025 VanDerWaalsContact O-CG2 3.3Å; S998-V1025 WeakPolarHBondContact O-CG2 3.33Å; Y999-V1025 HydrophobicContact CD1-CG1 4.32Å; Y999-V1025 HydrophobicContact CD1-CG2 3.92Å; Y999-V1025 HydrophobicContact CE1-CG2 4.45Å; N1019-V1025 WeakPolarHBondContact O-CB 3.47Å; L1020-V1025 HydrophobicContact CD2-CG1 4.13Å; H1022-V1025 HydrophobicContact CB-CB 4.22Å; H1022-V1025 HydrophobicContact CB-CG2 3.85Å; H1022-V1025 PolarHBondContact O-N 3.04Å; P1023-V1025 VanDerWaalsContact C-N 3.27Å; P1023-V1025 PolarHBondContact O-N 2.77Å; V1025-Y1028 PolarHBondContact O-N 3.41Å; V1025-A1029 WeakPolarHBondContact O-CB 3.5Å; V1025-A1029 PolarHBondContact O-N 3.24Å |
| 1026 | V | 97.2 | Very high | 96.4 | Very high | 7 Ų | 7 | 21.1 Ų | 21.1 | 4% | 0.042 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.8 | -46.8 | 167.8 | 173.8 | 0 | 0 | 0 | 0 | 110.3 | L1020 H1022 P1023 Y1028 A1029 C1030 P1064 L1065 A1068 | L1020-V1026 WeakPolarHBondContact O-CG2 3.5Å; H1022-V1026 PolarHBondContact O-N 2.96Å; P1023-V1026 WeakPolarHBondContact O-CB 3.28Å; P1023-V1026 PolarHBondContact O-N 3.42Å; P1023-V1026 VanDerWaalsContact O-N 3.14Å; V1026-Y1028 VanDerWaalsContact C-N 3.35Å; V1026-Y1028 PolarHBondContact O-N 3.15Å; V1026-A1029 PolarHBondContact O-N 3.02Å; V1026-C1030 WeakPolarHBondContact O-CB 3.48Å; V1026-C1030 PolarHBondContact O-N 3.45Å; V1026-P1064 HydrophobicContact CG2-CB 3.95Å; V1026-L1065 HydrophobicContact CG1-CD1 4.09Å; V1026-L1065 HydrophobicContact CG2-CB 4.3Å; V1026-A1068 HydrophobicContact CG1-CB 3.56Å |
| 1027 | D | 95 | Very high | 96.5 | Very high | 67 Ų | 67 | 22.1 Ų | 22.1 | 36% | 0.358 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -61.1 | -43.1 | 178.1 | -70.4 | -17 | 0 | 0 | 0 | 112.1 | P1023 C1030 A1031 | P1023-D1027 PolarHBondContact O-N 3.04Å; D1027-C1030 PolarHBondContact O-N 3.05Å; D1027-A1031 VanDerWaalsContact O-CB 3.26Å; D1027-A1031 WeakPolarHBondContact O-CB 3.4Å; D1027-A1031 PolarHBondContact O-N 3.14Å |
| 1028 | Y | 95.8 | Very high | 96.5 | Very high | 13 Ų | 13 | 27 Ų | 27 | 5% | 0.051 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.9 | -48.8 | 172.6 | 162.6 | -104.7 | 0 | 0 | 0 | 112 | P807 M938 F939 A1024 V1025 V1026 A1031 C1032 | P807-Y1028 HydrophobicContact CB-CE2 3.9Å; M938-Y1028 WeakPolarHBondContact CG-OH 3.34Å; F939-Y1028 HydrophobicContact CD2-CE2 4.31Å; F939-Y1028 AromaticContact CE2-CD2 4Å; F939-Y1028 HydrophobicContact CE2-CD2 4Å; F939-Y1028 AromaticContact CE2-CE2 3.53Å; F939-Y1028 HydrophobicContact CE2-CE2 3.53Å; F939-Y1028 HydrophobicContact CZ-CD2 4.49Å; F939-Y1028 HydrophobicContact CZ-CE2 4.44Å; A1024-Y1028 WeakPolarHBondContact O-CB 3.46Å; A1024-Y1028 PolarHBondContact O-N 2.89Å; V1025-Y1028 PolarHBondContact O-N 3.41Å; V1026-Y1028 VanDerWaalsContact C-N 3.35Å; V1026-Y1028 PolarHBondContact O-N 3.15Å; Y1028-A1031 PolarHBondContact O-N 2.89Å; Y1028-C1032 PolarHBondContact O-N 2.94Å |
| 1029 | A | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.2 | -45.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L976 L1020 V1025 V1026 A1031 C1032 L1033 L1065 | L976-A1029 HydrophobicContact CD1-CB 4.31Å; L976-A1029 HydrophobicContact CD2-CB 4Å; L1020-A1029 HydrophobicContact CD2-CB 4.12Å; V1025-A1029 WeakPolarHBondContact O-CB 3.5Å; V1025-A1029 PolarHBondContact O-N 3.24Å; V1026-A1029 PolarHBondContact O-N 3.02Å; A1029-A1031 PolarHBondContact O-N 3.06Å; A1029-C1032 WeakPolarHBondContact O-CB 3.38Å; A1029-C1032 PolarHBondContact O-N 3.4Å; A1029-L1033 WeakPolarHBondContact O-CG 3.35Å; A1029-L1033 PolarHBondContact O-N 2.78Å; A1029-L1065 HydrophobicContact CB-CD1 3.97Å |
| 1030 | C | 97.5 | Very high | 96.4 | Very high | 11 Ų | 11 | 27 Ų | 27 | 7% | 0.074 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.5 | -36 | 176.7 | -74.8 | 0 | 0 | 0 | 0 | 112.5 | V1026 D1027 R1034 L1075 | V1026-C1030 WeakPolarHBondContact O-CB 3.48Å; V1026-C1030 PolarHBondContact O-N 3.45Å; D1027-C1030 PolarHBondContact O-N 3.05Å; C1030-R1034 WeakPolarHBondContact O-CB 3.43Å; C1030-R1034 WeakPolarHBondContact O-CG 3.26Å; C1030-R1034 PolarHBondContact O-N 3.03Å; C1030-L1075 HydrophobicContact CB-CD1 4.42Å |
| 1031 | A | 96.4 | Very high | 96.4 | Very high | 14 Ų | 14 | 29.1 Ų | 29.1 | 12% | 0.116 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.2 | -39 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L724 F939 D1027 Y1028 A1029 R1034 Y1035 | L724-A1031 HydrophobicContact CD1-CB 3.94Å; F939-A1031 HydrophobicContact CE1-CB 4.41Å; F939-A1031 HydrophobicContact CZ-CB 4.09Å; D1027-A1031 VanDerWaalsContact O-CB 3.26Å; D1027-A1031 WeakPolarHBondContact O-CB 3.4Å; D1027-A1031 PolarHBondContact O-N 3.14Å; Y1028-A1031 PolarHBondContact O-N 2.89Å; A1029-A1031 PolarHBondContact O-N 3.06Å; A1031-R1034 PolarHBondContact O-N 2.83Å; A1031-Y1035 WeakPolarHBondContact O-CB 3.46Å; A1031-Y1035 PolarHBondContact O-N 3.06Å |
| 1032 | C | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.2 | -52.9 | 174.8 | -179.6 | 0 | 0 | 0 | 0 | 111.3 | M938 F939 Y1028 A1029 R1034 Y1035 W1036 | M938-C1032 PolarHBondContact O-SG 3.29Å; F939-C1032 HydrophobicContact CD2-CB 4.12Å; F939-C1032 VanDerWaalsContact CE1-CA 3.4Å; F939-C1032 HydrophobicContact CE1-CB 4.15Å; F939-C1032 HydrophobicContact CE2-CB 3.47Å; F939-C1032 VanDerWaalsContact CE2-CB 3.47Å; F939-C1032 HydrophobicContact CZ-CB 3.52Å; Y1028-C1032 PolarHBondContact O-N 2.94Å; A1029-C1032 WeakPolarHBondContact O-CB 3.38Å; A1029-C1032 PolarHBondContact O-N 3.4Å; C1032-R1034 VanDerWaalsContact C-N 3.34Å; C1032-R1034 PolarHBondContact O-N 3Å; C1032-Y1035 WeakPolarHBondContact O-CB 3.12Å; C1032-Y1035 PolarHBondContact O-N 3.19Å; C1032-W1036 PolarHBondContact O-N 2.74Å |
| 1033 | L | 98.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.7 | -43.9 | 180 | -64.6 | 170.9 | 0 | 0 | 0 | 111.4 | I974 L976 A1029 Y1035 W1036 V1037 F1045 F1047 I1069 L1075 | I974-L1033 HydrophobicContact CD1-CD2 3.52Å; I974-L1033 HydrophobicContact CG2-CD2 4.17Å; L976-L1033 HydrophobicContact CD1-CD1 4.24Å; L976-L1033 HydrophobicContact CD1-CD2 4.43Å; L976-L1033 HydrophobicContact CD1-CG 4.46Å; A1029-L1033 WeakPolarHBondContact O-CG 3.35Å; A1029-L1033 PolarHBondContact O-N 2.78Å; L1033-Y1035 VanDerWaalsContact C-N 3.34Å; L1033-Y1035 PolarHBondContact O-N 2.91Å; L1033-W1036 PolarHBondContact O-N 2.83Å; L1033-V1037 WeakPolarHBondContact O-CG2 3.17Å; L1033-V1037 PolarHBondContact O-N 3.45Å; L1033-F1045 HydrophobicContact CB-CE2 4.21Å; L1033-F1045 HydrophobicContact CB-CZ 4.24Å; L1033-F1045 HydrophobicContact CD2-CD1 3.82Å; L1033-F1045 HydrophobicContact CD2-CD2 3.86Å; L1033-F1045 HydrophobicContact CD2-CE1 3.84Å; L1033-F1045 HydrophobicContact CD2-CE2 3.88Å; L1033-F1045 HydrophobicContact CD2-CG 3.83Å; L1033-F1045 HydrophobicContact CD2-CZ 3.87Å; L1033-F1045 WeakPolarHBondContact O-CZ 3.26Å; L1033-F1047 HydrophobicContact CD1-CE1 4.13Å; L1033-F1047 HydrophobicContact CD1-CZ 4.2Å; L1033-F1047 HydrophobicContact CD2-CE1 3.86Å; L1033-F1047 HydrophobicContact CD2-CZ 4.07Å; L1033-I1069 HydrophobicContact CD1-CD1 4.02Å; L1033-I1069 HydrophobicContact CD1-CG1 4.27Å; L1033-L1075 HydrophobicContact CB-CD1 3.81Å; L1033-L1075 HydrophobicContact CB-CD2 3.6Å; L1033-L1075 HydrophobicContact CB-CG 4.36Å; L1033-L1075 HydrophobicContact CD1-CD1 4.13Å |
| 1034 | R | 97.6 | Very high | 96.9 | Very high | 99 Ų | 99 | 21.8 Ų | 21.8 | 37% | 0.374 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -62 | -40.9 | 177.1 | -80.5 | -171.2 | -66.1 | 150.1 | -7.3 | 112.2 | C1030 A1031 C1032 W1036 V1037 E1038 L1075 | C1030-R1034 WeakPolarHBondContact O-CB 3.43Å; C1030-R1034 WeakPolarHBondContact O-CG 3.26Å; C1030-R1034 PolarHBondContact O-N 3.03Å; A1031-R1034 PolarHBondContact O-N 2.83Å; C1032-R1034 VanDerWaalsContact C-N 3.34Å; C1032-R1034 PolarHBondContact O-N 3Å; R1034-W1036 VanDerWaalsContact C-N 3.3Å; R1034-W1036 PolarHBondContact O-N 2.84Å; R1034-V1037 PolarHBondContact O-N 3.22Å; R1034-E1038 WeakPolarHBondContact O-CB 2.93Å; R1034-E1038 WeakPolarHBondContact O-CG 3.31Å; R1034-E1038 PolarHBondContact O-N 3.06Å; R1034-L1075 HydrophobicContact CG-CD1 4.25Å; R1034-L1075 HydrophobicContact CG-CD2 4.09Å; R1034-L1075 HydrophobicContact CG-CG 4.05Å |
| 1035 | Y | 96.7 | Very high | 97.2 | Very high | 11 Ų | 11 | 20.9 Ų | 20.9 | 4% | 0.043 | 10% | 0.102 | C | C | . | . | I | π-helix | trans | -55.8 | -46.1 | 177.1 | 167.7 | -102.6 | 0 | 0 | 0 | 111.8 | R810 F939 A1031 C1032 L1033 T1039 C1040 | R810-Y1035 HydrophobicContact CG-CE2 4.06Å; F939-Y1035 HydrophobicContact CB-CD1 4.4Å; F939-Y1035 HydrophobicContact CB-CE1 4.48Å; F939-Y1035 AromaticContact CD1-CD1 3.98Å; F939-Y1035 HydrophobicContact CD1-CD1 3.98Å; F939-Y1035 AromaticContact CD1-CG 3.9Å; F939-Y1035 HydrophobicContact CD1-CG 3.9Å; F939-Y1035 WeakPolarHBondContact O-CE1 3.37Å; A1031-Y1035 WeakPolarHBondContact O-CB 3.46Å; A1031-Y1035 PolarHBondContact O-N 3.06Å; C1032-Y1035 WeakPolarHBondContact O-CB 3.12Å; C1032-Y1035 PolarHBondContact O-N 3.19Å; L1033-Y1035 VanDerWaalsContact C-N 3.34Å; L1033-Y1035 PolarHBondContact O-N 2.91Å; Y1035-T1039 HydrophobicContact CD2-CG2 4.29Å; Y1035-T1039 VanDerWaalsContact CD2-OG1 3.27Å; Y1035-T1039 WeakPolarHBondContact CD2-OG1 3.24Å; Y1035-T1039 HydrophobicContact CE2-CG2 3.96Å; Y1035-T1039 WeakPolarHBondContact O-CA 3.18Å; Y1035-T1039 WeakPolarHBondContact O-CB 3.16Å; Y1035-T1039 PolarHBondContact O-N 2.89Å; Y1035-T1039 PolarHBondContact O-OG1 2.79Å; Y1035-C1040 PolarHBondContact O-N 3.2Å |
| 1036 | W | 97.8 | Very high | 97.2 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.008 | 10% | 0.102 | C | C | . | . | I | π-helix | trans | -64.3 | -39.9 | 178.3 | -69.2 | 114.5 | 0 | 0 | 0 | 112.9 | V913 M938 L941 F956 L972 C1032 L1033 R1034 C1040 H1041 V1042 F1045 | V913-W1036 HydrophobicContact CG2-CH2 4.47Å; M938-W1036 WeakPolarHBondContact O-CZ2 3.28Å; M938-W1036 PolarHBondContact O-NE1 3.44Å; M938-W1036 VanDerWaalsContact O-NE1 3.11Å; L941-W1036 HydrophobicContact CD2-CH2 3.65Å; L941-W1036 HydrophobicContact CD2-CZ3 3.79Å; L941-W1036 HydrophobicContact CG-CH2 3.79Å; L941-W1036 HydrophobicContact CG-CZ3 4.06Å; F956-W1036 HydrophobicContact CD1-CZ3 4.45Å; F956-W1036 HydrophobicContact CE1-CE3 4.29Å; F956-W1036 HydrophobicContact CE1-CZ3 4.04Å; L972-W1036 HydrophobicContact CD1-CD2 3.92Å; L972-W1036 HydrophobicContact CD1-CE3 3.77Å; L972-W1036 HydrophobicContact CD1-CG 4.28Å; L972-W1036 HydrophobicContact CD1-CZ3 4.27Å; C1032-W1036 PolarHBondContact O-N 2.74Å; L1033-W1036 PolarHBondContact O-N 2.83Å; R1034-W1036 VanDerWaalsContact C-N 3.3Å; R1034-W1036 PolarHBondContact O-N 2.84Å; W1036-C1040 HydrophobicContact CE3-CB 4.04Å; W1036-C1040 CarbonylContact O-C 3.55Å; W1036-C1040 WeakPolarHBondContact O-CA 3.36Å; W1036-C1040 VanDerWaalsContact O-CB 3.25Å; W1036-C1040 WeakPolarHBondContact O-CB 3.46Å; W1036-C1040 PolarHBondContact O-N 3.18Å; W1036-H1041 PolarHBondContact O-N 3.11Å; W1036-V1042 HydrophobicContact CB-CB 4.29Å; W1036-V1042 HydrophobicContact CB-CG2 4.16Å; W1036-V1042 HydrophobicContact CE3-CG2 4.47Å; W1036-V1042 WeakPolarHBondContact O-CB 3.21Å; W1036-V1042 WeakPolarHBondContact O-CG2 3.02Å; W1036-V1042 PolarHBondContact O-N 2.78Å; W1036-V1042 VanDerWaalsContact O-N 3.1Å; W1036-F1045 HydrophobicContact CB-CE1 3.8Å; W1036-F1045 HydrophobicContact CB-CZ 3.83Å; W1036-F1045 HydrophobicContact CG-CE1 4.28Å |
| 1037 | V | 98 | Very high | 97.3 | Very high | 21 Ų | 21 | 20.6 Ų | 20.6 | 13% | 0.127 | 10% | 0.1 | C | C | . | . | I | π-helix | trans | -73.4 | -54.9 | 178.1 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | L1033 R1034 H1041 F1045 V1074 L1075 V1078 | L1033-V1037 WeakPolarHBondContact O-CG2 3.17Å; L1033-V1037 PolarHBondContact O-N 3.45Å; R1034-V1037 PolarHBondContact O-N 3.22Å; V1037-H1041 WeakPolarHBondContact O-CA 3.08Å; V1037-H1041 PolarHBondContact O-N 3.29Å; V1037-F1045 HydrophobicContact CG2-CE2 3.6Å; V1037-F1045 HydrophobicContact CG2-CZ 3.68Å; V1037-V1074 HydrophobicContact CB-CG1 4.04Å; V1037-V1074 HydrophobicContact CG1-CG1 3.6Å; V1037-L1075 HydrophobicContact CG2-CD2 4.11Å; V1037-V1078 HydrophobicContact CG1-CG1 3.9Å; V1037-V1078 HydrophobicContact CG2-CG1 3.93Å |
| 1038 | E | 96.1 | Very high | 97.3 | Very high | 103 Ų | 103 | 18.2 Ų | 18.2 | 48% | 0.481 | 9% | 0.088 | S | C | . | . | I | π-helix | trans | -75.2 | -35.3 | -170.9 | -62.1 | 178.3 | 139.1 | 0 | 0 | 112.4 | R1034 V1074 | R1034-E1038 WeakPolarHBondContact O-CB 2.93Å; R1034-E1038 WeakPolarHBondContact O-CG 3.31Å; R1034-E1038 PolarHBondContact O-N 3.06Å; E1038-V1074 HydrophobicContact CG-CG1 3.96Å |
| 1039 | T | 95.2 | Very high | 97.4 | Very high | 26 Ų | 26 | 18.7 Ų | 18.7 | 16% | 0.16 | 9% | 0.091 | C | C | . | . | I | π-helix | trans | -101.9 | -26.5 | -172.6 | -30.1 | 0 | 0 | 0 | 0 | 112.6 | D846 R957 Y1035 | D846-T1039 HydrophobicContact CB-CG2 3.9Å; R957-T1039 PolarHBondContact NE-O 3.38Å; R957-T1039 PolarHBondContact NH2-O 2.74Å; Y1035-T1039 HydrophobicContact CD2-CG2 4.29Å; Y1035-T1039 VanDerWaalsContact CD2-OG1 3.27Å; Y1035-T1039 WeakPolarHBondContact CD2-OG1 3.24Å; Y1035-T1039 HydrophobicContact CE2-CG2 3.96Å; Y1035-T1039 WeakPolarHBondContact O-CA 3.18Å; Y1035-T1039 WeakPolarHBondContact O-CB 3.16Å; Y1035-T1039 PolarHBondContact O-N 2.89Å; Y1035-T1039 PolarHBondContact O-OG1 2.79Å |
| 1040 | C | 96.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -114.8 | -1.2 | -179.1 | -58 | 0 | 0 | 0 | 0 | 113.5 | W850 F956 I960 Y1035 W1036 V1042 | W850-C1040 WeakPolarHBondContact CH2-O 3.32Å; F956-C1040 HydrophobicContact CD1-CB 4.34Å; F956-C1040 HydrophobicContact CE1-CB 4.05Å; I960-C1040 WeakPolarHBondContact CD1-O 3.43Å; Y1035-C1040 PolarHBondContact O-N 3.2Å; W1036-C1040 HydrophobicContact CE3-CB 4.04Å; W1036-C1040 CarbonylContact O-C 3.55Å; W1036-C1040 WeakPolarHBondContact O-CA 3.36Å; W1036-C1040 VanDerWaalsContact O-CB 3.25Å; W1036-C1040 WeakPolarHBondContact O-CB 3.46Å; W1036-C1040 PolarHBondContact O-N 3.18Å; C1040-V1042 HydrophobicContact CB-CG2 4.22Å; C1040-V1042 PolarHBondContact O-N 3.27Å |
| 1041 | H | 97.4 | Very high | 97.3 | Very high | 48 Ų | 48 | 18.2 Ų | 18.2 | 22% | 0.222 | 9% | 0.088 | C | C | . | . | trans | 57.2 | 32.4 | 179.8 | -65.8 | -161.9 | 0 | 0 | 0 | 114 | W850 D853 I960 H964 W1036 V1037 | W850-H1041 AromaticContact CD1-CE1 3.73Å; W850-H1041 AromaticContact CD1-NE2 3.6Å; W850-H1041 AromaticContact CD2-CE1 3.29Å; W850-H1041 AromaticContact CD2-CG 3.9Å; W850-H1041 AromaticContact CD2-ND1 3.42Å; W850-H1041 AromaticContact CD2-NE2 3.7Å; W850-H1041 AromaticContact CE2-CD2 3.55Å; W850-H1041 AromaticContact CE2-CE1 3.6Å; W850-H1041 AromaticContact CE2-CG 3.67Å; W850-H1041 AromaticContact CE2-ND1 3.7Å; W850-H1041 AromaticContact CE2-NE2 3.51Å; W850-H1041 AromaticContact CE3-CE1 3.7Å; W850-H1041 AromaticContact CE3-CG 3.93Å; W850-H1041 AromaticContact CE3-ND1 3.35Å; W850-H1041 AromaticContact CG-CE1 3.42Å; W850-H1041 VanDerWaalsContact CG-CE1 3.42Å; W850-H1041 AromaticContact CG-NE2 3.78Å; W850-H1041 HydrophobicContact CH2-CB 3.56Å; W850-H1041 AromaticContact CH2-CG 3.6Å; W850-H1041 AromaticContact CH2-ND1 3.91Å; W850-H1041 HydrophobicContact CZ2-CB 3.89Å; W850-H1041 AromaticContact CZ2-CD2 3.63Å; W850-H1041 AromaticContact CZ2-CG 3.53Å; W850-H1041 AromaticContact CZ2-ND1 3.95Å; W850-H1041 HydrophobicContact CZ3-CB 3.89Å; W850-H1041 AromaticContact CZ3-CG 3.78Å; W850-H1041 AromaticContact CZ3-ND1 3.6Å; W850-H1041 AromaticContact NE1-CD2 3.77Å; W850-H1041 AromaticContact NE1-CE1 3.8Å; W850-H1041 AromaticContact NE1-NE2 3.41Å; W850-H1041 PolarHBondContact NE1-NE2 3.34Å; D853-H1041 IonicContact OD2-CE1 3.76Å; D853-H1041 IonicContact OD2-CG 3.06Å; D853-H1041 IonicContact OD2-ND1 3.21Å; D853-H1041 PolarHBondContact OD2-ND1 3Å; I960-H1041 HydrophobicContact CG2-CB 4.19Å; H964-H1041 PolarHBondContact CE1-O 2.94Å; H964-H1041 VanDerWaalsContact CE1-O 3.25Å; W1036-H1041 PolarHBondContact O-N 3.11Å; V1037-H1041 WeakPolarHBondContact O-CA 3.08Å; V1037-H1041 PolarHBondContact O-N 3.29Å | ||
| 1042 | V | 98.4 | Very high | 97.3 | Very high | 3 Ų | 3 | 17.6 Ų | 17.6 | 2% | 0.018 | 8% | 0.082 | C | C | . | . | trans | -67.9 | 135 | 173.7 | 172.6 | 0 | 0 | 0 | 0 | 110 | F956 I960 L972 W1036 C1040 G1044 F1045 | F956-V1042 HydrophobicContact CE1-CG2 4.23Å; F956-V1042 HydrophobicContact CZ-CG2 4.36Å; I960-V1042 HydrophobicContact CD1-CG2 3.91Å; L972-V1042 HydrophobicContact CB-CG1 4.24Å; L972-V1042 HydrophobicContact CD1-CG1 4.14Å; L972-V1042 HydrophobicContact CD1-CG2 3.63Å; L972-V1042 HydrophobicContact CG-CG1 3.81Å; L972-V1042 HydrophobicContact CG-CG2 3.95Å; W1036-V1042 HydrophobicContact CB-CB 4.29Å; W1036-V1042 HydrophobicContact CB-CG2 4.16Å; W1036-V1042 HydrophobicContact CE3-CG2 4.47Å; W1036-V1042 WeakPolarHBondContact O-CB 3.21Å; W1036-V1042 WeakPolarHBondContact O-CG2 3.02Å; W1036-V1042 PolarHBondContact O-N 2.78Å; W1036-V1042 VanDerWaalsContact O-N 3.1Å; C1040-V1042 HydrophobicContact CB-CG2 4.22Å; C1040-V1042 PolarHBondContact O-N 3.27Å; V1042-G1044 WeakPolarHBondContact CG1-O 3.41Å; V1042-F1045 HydrophobicContact CG1-CE1 4.07Å; V1042-F1045 HydrophobicContact CG1-CZ 4.29Å | ||
| 1043 | D | 98.7 | Very high | 97.3 | Very high | 12 Ų | 12 | 17.7 Ų | 17.7 | 6% | 0.064 | 8% | 0.083 | C | C | . | . | trans | -90.2 | -8.4 | -173.8 | -61.1 | -77.4 | 0 | 0 | 0 | 114.3 | P855 H964 E969 V970 V1078 K1079 | P855-D1043 VanDerWaalsContact CB-OD1 3.31Å; P855-D1043 WeakPolarHBondContact CB-OD1 3.34Å; H964-D1043 IonicContact CD2-OD2 2.94Å; H964-D1043 IonicContact CE1-OD2 3.84Å; H964-D1043 IonicContact NE2-OD1 2.76Å; H964-D1043 IonicContact NE2-OD2 3.81Å; H964-D1043 PolarHBondContact NE2-OD2 2.98Å; E969-D1043 WeakPolarHBondContact CA-OD2 3.39Å; E969-D1043 HydrophobicContact CB-CB 3.88Å; E969-D1043 WeakPolarHBondContact CB-OD2 3.44Å; E969-D1043 HydrophobicContact CG-CB 4.25Å; V970-D1043 PolarHBondContact N-OD2 2.82Å; V970-D1043 PolarHBondContact O-N 2.91Å; D1043-V1078 VanDerWaalsContact O-CB 3.26Å; D1043-V1078 WeakPolarHBondContact O-CB 3.37Å; D1043-K1079 PolarHBondContact O-N 2.95Å | ||
| 1044 | G | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175 | 177.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | I971 L972 V1042 K1079 | I971-G1044 WeakPolarHBondContact CA-O 3.37Å; L972-G1044 PolarHBondContact N-O 3.47Å; V1042-G1044 WeakPolarHBondContact CG1-O 3.41Å; G1044-K1079 CarbonylContact C-O 3.51Å; G1044-K1079 WeakPolarHBondContact CA-O 3.29Å |
| 1045 | F | 98.7 | Very high | 97 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 0% | 0.004 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 139 | -177.9 | -55.1 | -79 | 0 | 0 | 0 | 111.5 | L972 I974 L1033 W1036 V1037 V1042 F1047 L1075 V1078 K1079 L1080 I1081 | L972-F1045 HydrophobicContact CB-CD1 4.24Å; L972-F1045 CarbonylContact O-C 3.45Å; L972-F1045 WeakPolarHBondContact O-CA 3.44Å; I974-F1045 HydrophobicContact CB-CD1 4.36Å; I974-F1045 HydrophobicContact CD1-CD1 4.04Å; I974-F1045 HydrophobicContact CD1-CE1 4.1Å; I974-F1045 HydrophobicContact CG2-CB 4.45Å; I974-F1045 HydrophobicContact CG2-CD1 4.46Å; L1033-F1045 HydrophobicContact CB-CE2 4.21Å; L1033-F1045 HydrophobicContact CB-CZ 4.24Å; L1033-F1045 HydrophobicContact CD2-CD1 3.82Å; L1033-F1045 HydrophobicContact CD2-CD2 3.86Å; L1033-F1045 HydrophobicContact CD2-CE1 3.84Å; L1033-F1045 HydrophobicContact CD2-CE2 3.88Å; L1033-F1045 HydrophobicContact CD2-CG 3.83Å; L1033-F1045 HydrophobicContact CD2-CZ 3.87Å; L1033-F1045 WeakPolarHBondContact O-CZ 3.26Å; W1036-F1045 HydrophobicContact CB-CE1 3.8Å; W1036-F1045 HydrophobicContact CB-CZ 3.83Å; W1036-F1045 HydrophobicContact CG-CE1 4.28Å; V1037-F1045 HydrophobicContact CG2-CE2 3.6Å; V1037-F1045 HydrophobicContact CG2-CZ 3.68Å; V1042-F1045 HydrophobicContact CG1-CE1 4.07Å; V1042-F1045 HydrophobicContact CG1-CZ 4.29Å; F1045-F1047 HydrophobicContact CB-CD2 4.31Å; F1045-F1047 HydrophobicContact CB-CE1 4.25Å; F1045-F1047 HydrophobicContact CB-CE2 3.66Å; F1045-F1047 HydrophobicContact CB-CZ 3.62Å; F1045-F1047 HydrophobicContact CD2-CZ 4.4Å; F1045-F1047 HydrophobicContact CG-CZ 4.2Å; F1045-L1075 HydrophobicContact CE2-CD2 4.4Å; F1045-V1078 HydrophobicContact CD2-CG2 4.22Å; F1045-V1078 HydrophobicContact CE2-CG2 4.19Å; F1045-K1079 PolarHBondContact N-O 2.87Å; F1045-L1080 HydrophobicContact CD2-CD2 4.07Å; F1045-I1081 PolarHBondContact O-N 3.06Å |
| 1046 | R | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 131.9 | 157.9 | -177.5 | -79.8 | -138.9 | -173.8 | -15.1 | 107.4 | E909 I971 L972 D973 I974 D1048 I1081 E1083 H1154 | E909-R1046 HydrophobicContact CG-CB 4.38Å; E909-R1046 WeakPolarHBondContact OE1-CB 3.25Å; E909-R1046 WeakPolarHBondContact OE1-CG 3.38Å; E909-R1046 IonicContact OE1-NE 2.8Å; I971-R1046 HydrophobicContact CG2-CB 4.42Å; L972-R1046 PolarHBondContact O-N 2.98Å; D973-R1046 CarbonylContact C-O 3.57Å; D973-R1046 WeakPolarHBondContact CA-O 3.41Å; D973-R1046 VanDerWaalsContact CG-CD 3.49Å; D973-R1046 VanDerWaalsContact CG-NH1 3.28Å; D973-R1046 VanDerWaalsContact OD1-CD 3.24Å; D973-R1046 WeakPolarHBondContact OD1-CD 3.26Å; D973-R1046 IonicContact OD1-CZ 3.45Å; D973-R1046 IonicContact OD1-NE 2.91Å; D973-R1046 IonicContact OD1-NH1 3.85Å; D973-R1046 PolarHBondContact OD1-NH1 2.87Å; D973-R1046 WeakPolarHBondContact OD2-CD 3.24Å; D973-R1046 IonicContact OD2-CZ 3.86Å; D973-R1046 IonicContact OD2-NE 3.23Å; D973-R1046 PolarHBondContact OD2-NE 2.9Å; D973-R1046 IonicContact OD2-NH1 2.87Å; D973-R1046 PolarHBondContact OD2-NH1 2.85Å; D973-R1046 IonicContact OD2-NH2 2.69Å; I974-R1046 PolarHBondContact N-O 3.03Å; R1046-D1048 IonicContact NH1-OD1 2.71Å; R1046-D1048 PolarHBondContact NH1-OD1 2.52Å; R1046-I1081 CarbonylContact C-O 3.56Å; R1046-I1081 VanDerWaalsContact CA-O 3.27Å; R1046-I1081 WeakPolarHBondContact CA-O 3.42Å; R1046-I1081 HydrophobicContact CB-CB 4.17Å; R1046-I1081 HydrophobicContact CG-CB 4.23Å; R1046-I1081 HydrophobicContact CG-CG2 4.05Å; R1046-E1083 IonicContact NH2-OE2 2.8Å; R1046-H1154 PolarHBondContact NH2-CE1 3.42Å |
| 1047 | F | 98.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 0% | 0.004 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 118.6 | -176.9 | -63.7 | -87.8 | 0 | 0 | 0 | 110 | I974 L976 L1033 F1045 A1050 M1053 L1080 I1081 E1083 F1101 | I974-F1047 HydrophobicContact CG2-CD1 3.35Å; I974-F1047 HydrophobicContact CG2-CE1 3.46Å; I974-F1047 VanDerWaalsContact CG2-CE1 3.46Å; I974-F1047 HydrophobicContact CG2-CG 4.24Å; I974-F1047 HydrophobicContact CG2-CZ 4.4Å; L976-F1047 HydrophobicContact CD1-CD1 4.03Å; L976-F1047 HydrophobicContact CD1-CE1 3.76Å; L1033-F1047 HydrophobicContact CD1-CE1 4.13Å; L1033-F1047 HydrophobicContact CD1-CZ 4.2Å; L1033-F1047 HydrophobicContact CD2-CE1 3.86Å; L1033-F1047 HydrophobicContact CD2-CZ 4.07Å; F1045-F1047 HydrophobicContact CB-CD2 4.31Å; F1045-F1047 HydrophobicContact CB-CE1 4.25Å; F1045-F1047 HydrophobicContact CB-CE2 3.66Å; F1045-F1047 HydrophobicContact CB-CZ 3.62Å; F1045-F1047 HydrophobicContact CD2-CZ 4.4Å; F1045-F1047 HydrophobicContact CG-CZ 4.2Å; F1047-A1050 HydrophobicContact CB-CB 3.76Å; F1047-M1053 HydrophobicContact CB-SD 3.63Å; F1047-M1053 HydrophobicContact CD1-CE 3.66Å; F1047-M1053 HydrophobicContact CD1-SD 3.48Å; F1047-M1053 WeakPolarHBondContact CD1-SD 3.23Å; F1047-M1053 HydrophobicContact CD2-CE 4.4Å; F1047-M1053 HydrophobicContact CD2-SD 4.36Å; F1047-M1053 HydrophobicContact CE1-CE 3.76Å; F1047-M1053 HydrophobicContact CE1-SD 4.22Å; F1047-M1053 HydrophobicContact CG-CE 4Å; F1047-M1053 HydrophobicContact CG-SD 3.57Å; F1047-M1053 VanDerWaalsContact CG-SD 3.57Å; F1047-M1053 HydrophobicContact CZ-CE 4.2Å; F1047-L1080 HydrophobicContact CE2-CB 4.3Å; F1047-L1080 HydrophobicContact CE2-CD2 3.8Å; F1047-L1080 HydrophobicContact CZ-CD2 4.09Å; F1047-I1081 WeakPolarHBondContact CD2-O 3.2Å; F1047-I1081 PolarHBondContact N-O 3.47Å; F1047-E1083 WeakPolarHBondContact O-CB 3.42Å; F1047-E1083 PolarHBondContact O-N 2.77Å; F1047-F1101 HydrophobicContact CD2-CD1 4.49Å; F1047-F1101 AromaticContact CD2-CE1 3.92Å; F1047-F1101 HydrophobicContact CD2-CE1 3.92Å; F1047-F1101 AromaticContact CE2-CE1 3.75Å; F1047-F1101 HydrophobicContact CE2-CE1 3.75Å |
| 1048 | D | 96.2 | Very high | 96 | Very high | 17 Ų | 17 | 24.2 Ų | 24.2 | 9% | 0.091 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | 136 | 172.7 | -173.3 | 68.7 | 0 | 0 | 0 | 111.1 | Y933 I974 V975 N977 R1046 A1050 | Y933-D1048 HydrophobicContact CD1-CB 4.1Å; Y933-D1048 HydrophobicContact CE1-CB 3.89Å; Y933-D1048 VanDerWaalsContact CE1-OD1 3.31Å; Y933-D1048 WeakPolarHBondContact CE1-OD1 3.35Å; I974-D1048 PolarHBondContact O-N 2.79Å; V975-D1048 HydrophobicContact CG2-CB 4.11Å; N977-D1048 VanDerWaalsContact ND2-C 3.28Å; N977-D1048 PolarHBondContact ND2-O 3.11Å; N977-D1048 PolarHBondContact ND2-OD2 2.78Å; R1046-D1048 IonicContact NH1-OD1 2.71Å; R1046-D1048 PolarHBondContact NH1-OD1 2.52Å; D1048-A1050 PolarHBondContact O-N 2.83Å |
| 1049 | L | 96.3 | Very high | 96 | Very high | 23 Ų | 23 | 20.8 Ų | 20.8 | 12% | 0.12 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 39.8 | 47.6 | -178.3 | -51.4 | 177.4 | 0 | 0 | 0 | 113.1 | N977 T1012 A1051 V1052 E1083 W1085 D1086 | N977-L1049 HydrophobicContact CB-CB 4.46Å; T1012-L1049 HydrophobicContact CG2-CD1 4.35Å; T1012-L1049 WeakPolarHBondContact O-CD1 3.48Å; L1049-A1051 PolarHBondContact O-N 3.14Å; L1049-V1052 WeakPolarHBondContact O-CB 3.28Å; L1049-V1052 PolarHBondContact O-N 2.92Å; L1049-E1083 PolarHBondContact N-OE2 3.06Å; L1049-W1085 VanDerWaalsContact CA-O 3.29Å; L1049-W1085 WeakPolarHBondContact CA-O 3.37Å; L1049-W1085 WeakPolarHBondContact CD2-O 3.49Å; L1049-D1086 HydrophobicContact CB-CB 4.42Å |
| 1050 | A | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -59.8 | -16.1 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | F1047 D1048 V1052 M1053 A1082 E1083 F1097 | F1047-A1050 HydrophobicContact CB-CB 3.76Å; D1048-A1050 PolarHBondContact O-N 2.83Å; A1050-V1052 PolarHBondContact O-N 2.91Å; A1050-M1053 HydrophobicContact CB-SD 4.04Å; A1050-M1053 VanDerWaalsContact O-CB 3.26Å; A1050-M1053 WeakPolarHBondContact O-CB 3.26Å; A1050-M1053 PolarHBondContact O-N 3.21Å; A1050-A1082 HydrophobicContact CB-CB 3.61Å; A1050-E1083 VanDerWaalsContact CB-O 3.31Å; A1050-E1083 WeakPolarHBondContact CB-O 3.32Å; A1050-E1083 PolarHBondContact N-O 2.86Å; A1050-F1097 HydrophobicContact CB-CE1 3.71Å; A1050-F1097 HydrophobicContact CB-CZ 3.66Å |
| 1051 | A | 96.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -56.5 | -32.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1049 M1053 G1054 F1059 D1086 G1091 Q1093 | L1049-A1051 PolarHBondContact O-N 3.14Å; A1051-M1053 VanDerWaalsContact C-N 3.26Å; A1051-M1053 PolarHBondContact O-N 3.26Å; A1051-G1054 PolarHBondContact O-N 2.95Å; A1051-G1054 VanDerWaalsContact O-N 3.08Å; A1051-F1059 HydrophobicContact CB-CD2 4.38Å; A1051-F1059 WeakPolarHBondContact O-CD2 3.33Å; A1051-D1086 HydrophobicContact CB-CB 4.16Å; A1051-D1086 VanDerWaalsContact CB-OD2 3.28Å; A1051-D1086 WeakPolarHBondContact CB-OD2 3.33Å; A1051-G1091 VanDerWaalsContact CB-O 3.27Å; A1051-G1091 WeakPolarHBondContact CB-O 3.5Å; A1051-Q1093 HydrophobicContact CB-CG 4.34Å |
| 1052 | V | 96.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -60.8 | -33.8 | 175.2 | 173.3 | 0 | 0 | 0 | 0 | 112.5 | N977 W1011 T1012 T1017 L1049 A1050 G1054 R1055 D1086 | N977-V1052 HydrophobicContact CB-CB 3.81Å; N977-V1052 HydrophobicContact CB-CG1 3.87Å; N977-V1052 HydrophobicContact CB-CG2 4.1Å; W1011-V1052 HydrophobicContact CB-CG2 4.48Å; T1012-V1052 HydrophobicContact CG2-CG2 4.04Å; T1017-V1052 HydrophobicContact CG2-CG1 3.43Å; T1017-V1052 VanDerWaalsContact CG2-CG1 3.43Å; T1017-V1052 HydrophobicContact CG2-CG2 4.42Å; L1049-V1052 WeakPolarHBondContact O-CB 3.28Å; L1049-V1052 PolarHBondContact O-N 2.92Å; A1050-V1052 PolarHBondContact O-N 2.91Å; V1052-G1054 PolarHBondContact O-N 3.01Å; V1052-R1055 WeakPolarHBondContact O-CB 3.27Å; V1052-R1055 PolarHBondContact O-N 3.41Å; V1052-R1055 VanDerWaalsContact O-N 3.12Å; V1052-D1086 HydrophobicContact CG2-CB 4.03Å |
| 1053 | M | 96.9 | Very high | 95.4 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.015 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -62.3 | -25.7 | 178 | -61.4 | 168.8 | 64.7 | 0 | 0 | 112.7 | L1020 F1047 A1050 A1051 L1065 F1066 I1069 F1101 | L1020-M1053 HydrophobicContact CD1-CB 4.21Å; L1020-M1053 HydrophobicContact CD1-CG 3.84Å; F1047-M1053 HydrophobicContact CB-SD 3.63Å; F1047-M1053 HydrophobicContact CD1-CE 3.66Å; F1047-M1053 HydrophobicContact CD1-SD 3.48Å; F1047-M1053 WeakPolarHBondContact CD1-SD 3.23Å; F1047-M1053 HydrophobicContact CD2-CE 4.4Å; F1047-M1053 HydrophobicContact CD2-SD 4.36Å; F1047-M1053 HydrophobicContact CE1-CE 3.76Å; F1047-M1053 HydrophobicContact CE1-SD 4.22Å; F1047-M1053 HydrophobicContact CG-CE 4Å; F1047-M1053 HydrophobicContact CG-SD 3.57Å; F1047-M1053 VanDerWaalsContact CG-SD 3.57Å; F1047-M1053 HydrophobicContact CZ-CE 4.2Å; A1050-M1053 HydrophobicContact CB-SD 4.04Å; A1050-M1053 VanDerWaalsContact O-CB 3.26Å; A1050-M1053 WeakPolarHBondContact O-CB 3.26Å; A1050-M1053 PolarHBondContact O-N 3.21Å; A1051-M1053 VanDerWaalsContact C-N 3.26Å; A1051-M1053 PolarHBondContact O-N 3.26Å; M1053-L1065 HydrophobicContact CB-CD2 4.04Å; M1053-L1065 HydrophobicContact CE-CD2 3.68Å; M1053-L1065 HydrophobicContact CE-CG 4.27Å; M1053-L1065 HydrophobicContact CG-CD2 4.01Å; M1053-F1066 HydrophobicContact CB-CE1 3.64Å; M1053-F1066 HydrophobicContact CB-CZ 3.8Å; M1053-F1066 HydrophobicContact CE-CD1 4.4Å; M1053-F1066 HydrophobicContact CE-CE1 3.99Å; M1053-F1066 HydrophobicContact SD-CE1 4.44Å; M1053-I1069 HydrophobicContact CE-CD1 3.96Å; M1053-F1101 HydrophobicContact CE-CE1 4.43Å; M1053-F1101 HydrophobicContact CE-CZ 4.46Å |
| 1054 | G | 95.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -89.5 | -2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A1051 V1052 F1059 R1060 | A1051-G1054 PolarHBondContact O-N 2.95Å; A1051-G1054 VanDerWaalsContact O-N 3.08Å; V1052-G1054 PolarHBondContact O-N 3.01Å; G1054-F1059 CarbonylContact O-C 3.53Å; G1054-F1059 WeakPolarHBondContact O-CA 3.35Å; G1054-R1060 PolarHBondContact O-N 3.13Å |
| 1055 | R | 94.4 | Very high | 95.2 | Very high | 13 Ų | 13 | 28.3 Ų | 28.3 | 5% | 0.049 | 15% | 0.146 | C | C | . | . | B | Isolated β-bridge | trans | -82.7 | 127.7 | -168.3 | -73.5 | -172.6 | 172.6 | -82.9 | -0.9 | 113.7 | W1011 V1052 P1057 E1058 D1086 P1089 | W1011-R1055 HydrophobicContact CE3-CB 4.27Å; W1011-R1055 HydrophobicContact CE3-CG 4.29Å; W1011-R1055 HydrophobicContact CH2-CB 4.45Å; W1011-R1055 HydrophobicContact CZ3-CB 3.75Å; W1011-R1055 VanDerWaalsContact CZ3-CD 3.42Å; W1011-R1055 HydrophobicContact CZ3-CG 4.22Å; V1052-R1055 WeakPolarHBondContact O-CB 3.27Å; V1052-R1055 PolarHBondContact O-N 3.41Å; V1052-R1055 VanDerWaalsContact O-N 3.12Å; R1055-P1057 WeakPolarHBondContact CB-O 3.36Å; R1055-P1057 WeakPolarHBondContact CG-O 3.3Å; R1055-P1057 PolarHBondContact NH1-O 2.93Å; R1055-E1058 WeakPolarHBondContact CA-O 3.31Å; R1055-D1086 IonicContact CZ-OD1 3.4Å; R1055-D1086 IonicContact CZ-OD2 3.1Å; R1055-D1086 VanDerWaalsContact CZ-OD2 3.29Å; R1055-D1086 IonicContact NE-OD1 3.23Å; R1055-D1086 IonicContact NE-OD2 2.7Å; R1055-D1086 PolarHBondContact NE-OD2 3.28Å; R1055-D1086 VanDerWaalsContact NH2-CG 3.3Å; R1055-D1086 IonicContact NH2-OD1 3.37Å; R1055-D1086 PolarHBondContact NH2-OD1 2.99Å; R1055-D1086 IonicContact NH2-OD2 2.69Å; R1055-D1086 PolarHBondContact NH2-OD2 3.14Å; R1055-P1089 PolarHBondContact NH2-O 3.04Å |
| 1056 | T | 92.2 | Very high | 95.1 | Very high | 35 Ų | 35 | 28.4 Ų | 28.4 | 22% | 0.215 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -142.2 | 37.6 | 174.9 | 70.2 | 0 | 0 | 0 | 0 | 115.4 | E1058 R1060 A1063 | T1056-E1058 PolarHBondContact N-O 3.06Å; T1056-R1060 WeakPolarHBondContact OG1-CD 3.37Å; T1056-A1063 HydrophobicContact CG2-CB 4.17Å |
| 1057 | P | 87.7 | Confident | 95 | Very high | 66 Ų | 66 | 30.7 Ų | 30.7 | 43% | 0.429 | 16% | 0.16 | S | C | . | . | S | Bend | cis | -93.4 | -11.6 | 1.8 | 35.3 | -34.9 | 0 | 0 | 0 | 114.3 | W1001 W1011 R1055 | W1001-P1057 HydrophobicContact CH2-CB 4.17Å; W1001-P1057 HydrophobicContact CZ3-CB 4.32Å; W1011-P1057 HydrophobicContact CH2-CB 3.63Å; W1011-P1057 HydrophobicContact CZ2-CB 3.92Å; R1055-P1057 WeakPolarHBondContact CB-O 3.36Å; R1055-P1057 WeakPolarHBondContact CG-O 3.3Å; R1055-P1057 PolarHBondContact NH1-O 2.93Å |
| 1058 | E | 92 | Very high | 94.9 | Very high | 157 Ų | 157 | 32.1 Ų | 32.1 | 73% | 0.734 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -76.7 | 154.1 | 168.3 | -64.7 | 175.6 | 178.1 | 0 | 0 | 109.8 | R1055 T1056 R1060 | R1055-E1058 WeakPolarHBondContact CA-O 3.31Å; T1056-E1058 PolarHBondContact N-O 3.06Å; E1058-R1060 PolarHBondContact O-N 3.14Å |
| 1059 | F | 95 | Very high | 94.9 | Very high | 30 Ų | 30 | 31.3 Ų | 31.3 | 13% | 0.132 | 17% | 0.168 | C | C | . | . | B | Isolated β-bridge | trans | -67.9 | 131.9 | 177.9 | 179 | -90.2 | 0 | 0 | 0 | 111.2 | A1051 G1054 Q1061 F1066 Q1093 N1096 F1097 | A1051-F1059 HydrophobicContact CB-CD2 4.38Å; A1051-F1059 WeakPolarHBondContact O-CD2 3.33Å; G1054-F1059 CarbonylContact O-C 3.53Å; G1054-F1059 WeakPolarHBondContact O-CA 3.35Å; F1059-Q1061 HydrophobicContact CE1-CG 4.25Å; F1059-F1066 AromaticContact CE2-CE2 3.85Å; F1059-F1066 HydrophobicContact CE2-CE2 3.85Å; F1059-F1066 HydrophobicContact CE2-CZ 4.02Å; F1059-F1066 AromaticContact CZ-CE2 3.99Å; F1059-F1066 HydrophobicContact CZ-CE2 3.99Å; F1059-F1066 HydrophobicContact CZ-CZ 4.38Å; F1059-Q1093 HydrophobicContact CB-CG 4.02Å; F1059-Q1093 HydrophobicContact CD1-CB 4.42Å; F1059-Q1093 VanDerWaalsContact CD1-CD 3.48Å; F1059-Q1093 HydrophobicContact CD1-CG 3.78Å; F1059-Q1093 HydrophobicContact CD2-CB 4.47Å; F1059-Q1093 HydrophobicContact CD2-CG 3.84Å; F1059-Q1093 HydrophobicContact CE1-CB 4.32Å; F1059-Q1093 HydrophobicContact CE1-CG 4.17Å; F1059-Q1093 HydrophobicContact CE2-CB 4.37Å; F1059-Q1093 HydrophobicContact CE2-CG 4.23Å; F1059-Q1093 HydrophobicContact CG-CB 4.5Å; F1059-Q1093 HydrophobicContact CG-CG 3.6Å; F1059-Q1093 HydrophobicContact CZ-CB 4.29Å; F1059-Q1093 HydrophobicContact CZ-CG 4.38Å; F1059-N1096 HydrophobicContact CE1-CB 4.21Å; F1059-N1096 WeakPolarHBondContact CE1-O 3.49Å; F1059-F1097 HydrophobicContact CE2-CE1 4.22Å; F1059-F1097 AromaticContact CE2-CE2 3.97Å; F1059-F1097 HydrophobicContact CE2-CE2 3.97Å; F1059-F1097 AromaticContact CE2-CZ 3.81Å; F1059-F1097 HydrophobicContact CE2-CZ 3.81Å; F1059-F1097 HydrophobicContact CZ-CD1 4.47Å; F1059-F1097 HydrophobicContact CZ-CD2 4.04Å; F1059-F1097 HydrophobicContact CZ-CE1 4.39Å; F1059-F1097 AromaticContact CZ-CE2 3.94Å; F1059-F1097 HydrophobicContact CZ-CE2 3.94Å; F1059-F1097 HydrophobicContact CZ-CG 4.3Å; F1059-F1097 HydrophobicContact CZ-CZ 4.13Å |
| 1060 | R | 94.6 | Very high | 94.8 | Very high | 48 Ų | 48 | 35.3 Ų | 35.3 | 18% | 0.181 | 19% | 0.186 | C | C | . | . | trans | -134.8 | 140.4 | 176.2 | -66.7 | -174.6 | 60 | 112.6 | 0.7 | 111.8 | E426 F427 G1054 T1056 E1058 D1062 A1063 F1066 | E426-R1060 IonicContact OE1-NH2 3.74Å; E426-R1060 PolarHBondContact OE1-NH2 3.29Å; E426-R1060 IonicContact OE2-CZ 3.86Å; E426-R1060 IonicContact OE2-NH1 3.45Å; E426-R1060 PolarHBondContact OE2-NH1 2.92Å; E426-R1060 IonicContact OE2-NH2 2.67Å; E426-R1060 PolarHBondContact OE2-NH2 2.88Å; F427-R1060 VanDerWaalsContact CE1-NE 3.27Å; F427-R1060 VanDerWaalsContact CE1-NH1 3.26Å; G1054-R1060 PolarHBondContact O-N 3.13Å; T1056-R1060 WeakPolarHBondContact OG1-CD 3.37Å; E1058-R1060 PolarHBondContact O-N 3.14Å; R1060-D1062 VanDerWaalsContact C-N 3.27Å; R1060-D1062 WeakPolarHBondContact CB-OD1 3.36Å; R1060-D1062 IonicContact CZ-OD1 3.62Å; R1060-D1062 IonicContact CZ-OD2 2.67Å; R1060-D1062 IonicContact NE-OD1 3.83Å; R1060-D1062 PolarHBondContact NE-OD1 3.43Å; R1060-D1062 IonicContact NE-OD2 3.3Å; R1060-D1062 VanDerWaalsContact NH2-CG 3.3Å; R1060-D1062 IonicContact NH2-OD1 2.87Å; R1060-D1062 PolarHBondContact NH2-OD1 3.49Å; R1060-D1062 VanDerWaalsContact NH2-OD1 3.07Å; R1060-D1062 IonicContact NH2-OD2 2.84Å; R1060-D1062 PolarHBondContact NH2-OD2 3.41Å; R1060-D1062 PolarHBondContact O-N 3.43Å; R1060-A1063 HydrophobicContact CB-CB 4.47Å; R1060-A1063 WeakPolarHBondContact O-CB 3.37Å; R1060-A1063 PolarHBondContact O-N 2.91Å; R1060-F1066 WeakPolarHBondContact O-CD2 3.44Å; R1060-F1066 WeakPolarHBondContact O-CE2 3.41Å | ||
| 1061 | Q | 93 | Very high | 94.7 | Very high | 72 Ų | 72 | 39.1 Ų | 39.1 | 34% | 0.336 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -21.9 | 177.3 | -79.6 | 171.9 | 27.5 | 0 | 0 | 113.1 | F1059 N1096 P1098 R1139 | F1059-Q1061 HydrophobicContact CE1-CG 4.25Å; Q1061-N1096 WeakPolarHBondContact CG-O 3.12Å; Q1061-N1096 PolarHBondContact NE2-O 2.84Å; Q1061-P1098 HydrophobicContact CB-CG 4.49Å; Q1061-P1098 VanDerWaalsContact O-CG 3.25Å; Q1061-P1098 WeakPolarHBondContact O-CG 3.46Å; Q1061-R1139 VanDerWaalsContact NE2-NH2 3.11Å |
| 1062 | D | 93.1 | Very high | 94.5 | Very high | 72 Ų | 72 | 40 Ų | 40 | 39% | 0.385 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 18.1 | 179.7 | 64.2 | -16.5 | 0 | 0 | 0 | 112.5 | R1060 T1067 | R1060-D1062 VanDerWaalsContact C-N 3.27Å; R1060-D1062 WeakPolarHBondContact CB-OD1 3.36Å; R1060-D1062 IonicContact CZ-OD1 3.62Å; R1060-D1062 IonicContact CZ-OD2 2.67Å; R1060-D1062 IonicContact NE-OD1 3.83Å; R1060-D1062 PolarHBondContact NE-OD1 3.43Å; R1060-D1062 IonicContact NE-OD2 3.3Å; R1060-D1062 VanDerWaalsContact NH2-CG 3.3Å; R1060-D1062 IonicContact NH2-OD1 2.87Å; R1060-D1062 PolarHBondContact NH2-OD1 3.49Å; R1060-D1062 VanDerWaalsContact NH2-OD1 3.07Å; R1060-D1062 IonicContact NH2-OD2 2.84Å; R1060-D1062 PolarHBondContact NH2-OD2 3.41Å; R1060-D1062 PolarHBondContact O-N 3.43Å; D1062-T1067 PolarHBondContact O-OG1 3.26Å |
| 1063 | A | 94.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | trans | -54.3 | 147.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | T1056 R1060 L1065 F1066 T1067 | T1056-A1063 HydrophobicContact CG2-CB 4.17Å; R1060-A1063 HydrophobicContact CB-CB 4.47Å; R1060-A1063 WeakPolarHBondContact O-CB 3.37Å; R1060-A1063 PolarHBondContact O-N 2.91Å; A1063-L1065 VanDerWaalsContact C-N 3.3Å; A1063-L1065 PolarHBondContact O-N 2.93Å; A1063-L1065 VanDerWaalsContact O-N 3.11Å; A1063-F1066 HydrophobicContact CB-CD2 3.91Å; A1063-F1066 HydrophobicContact CB-CE2 4.37Å; A1063-F1066 PolarHBondContact O-N 2.84Å; A1063-T1067 PolarHBondContact O-N 2.84Å; A1063-T1067 VanDerWaalsContact O-N 3.11Å; A1063-T1067 PolarHBondContact O-OG1 2.67Å | ||
| 1064 | P | 96 | Very high | 94.3 | Very high | 55 Ų | 55 | 46.8 Ų | 46.8 | 36% | 0.357 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -49.6 | -44.1 | -171.7 | -32.6 | 37.3 | 0 | 0 | 0 | 115 | V1026 T1067 A1068 | V1026-P1064 HydrophobicContact CG2-CB 3.95Å; P1064-T1067 PolarHBondContact O-N 2.9Å; P1064-A1068 WeakPolarHBondContact O-CB 3.4Å; P1064-A1068 PolarHBondContact O-N 3.08Å |
| 1065 | L | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.9 | -41.2 | 179 | -178 | 60.3 | 0 | 0 | 0 | 113 | L1020 V1026 A1029 M1053 A1063 T1067 A1068 I1069 | L1020-L1065 HydrophobicContact CB-CD2 4.16Å; L1020-L1065 HydrophobicContact CD1-CD2 3.75Å; L1020-L1065 HydrophobicContact CD2-CD2 4.1Å; L1020-L1065 HydrophobicContact CG-CD2 4.22Å; V1026-L1065 HydrophobicContact CG1-CD1 4.09Å; V1026-L1065 HydrophobicContact CG2-CB 4.3Å; A1029-L1065 HydrophobicContact CB-CD1 3.97Å; M1053-L1065 HydrophobicContact CB-CD2 4.04Å; M1053-L1065 HydrophobicContact CE-CD2 3.68Å; M1053-L1065 HydrophobicContact CE-CG 4.27Å; M1053-L1065 HydrophobicContact CG-CD2 4.01Å; A1063-L1065 VanDerWaalsContact C-N 3.3Å; A1063-L1065 PolarHBondContact O-N 2.93Å; A1063-L1065 VanDerWaalsContact O-N 3.11Å; L1065-T1067 VanDerWaalsContact C-N 3.35Å; L1065-A1068 PolarHBondContact O-N 3.16Å; L1065-I1069 HydrophobicContact CD1-CD1 4.1Å; L1065-I1069 HydrophobicContact CD1-CG1 4.27Å; L1065-I1069 HydrophobicContact CG-CD1 3.99Å; L1065-I1069 WeakPolarHBondContact O-CG1 3.41Å; L1065-I1069 PolarHBondContact O-N 3.3Å |
| 1066 | F | 96.9 | Very high | 94.5 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 1% | 0.013 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 177.3 | -65 | -36.8 | 0 | 0 | 0 | 111.3 | M1053 F1059 R1060 A1063 A1068 I1069 Q1070 F1097 P1098 F1101 | M1053-F1066 HydrophobicContact CB-CE1 3.64Å; M1053-F1066 HydrophobicContact CB-CZ 3.8Å; M1053-F1066 HydrophobicContact CE-CD1 4.4Å; M1053-F1066 HydrophobicContact CE-CE1 3.99Å; M1053-F1066 HydrophobicContact SD-CE1 4.44Å; F1059-F1066 AromaticContact CE2-CE2 3.85Å; F1059-F1066 HydrophobicContact CE2-CE2 3.85Å; F1059-F1066 HydrophobicContact CE2-CZ 4.02Å; F1059-F1066 AromaticContact CZ-CE2 3.99Å; F1059-F1066 HydrophobicContact CZ-CE2 3.99Å; F1059-F1066 HydrophobicContact CZ-CZ 4.38Å; R1060-F1066 WeakPolarHBondContact O-CD2 3.44Å; R1060-F1066 WeakPolarHBondContact O-CE2 3.41Å; A1063-F1066 HydrophobicContact CB-CD2 3.91Å; A1063-F1066 HydrophobicContact CB-CE2 4.37Å; A1063-F1066 PolarHBondContact O-N 2.84Å; F1066-A1068 PolarHBondContact O-N 3.26Å; F1066-I1069 PolarHBondContact O-N 2.87Å; F1066-Q1070 WeakPolarHBondContact O-CB 3.26Å; F1066-Q1070 PolarHBondContact O-N 2.8Å; F1066-F1097 HydrophobicContact CE1-CD1 4.14Å; F1066-F1097 AromaticContact CE1-CE1 3.94Å; F1066-F1097 HydrophobicContact CE1-CE1 3.94Å; F1066-F1097 AromaticContact CZ-CD1 3.87Å; F1066-F1097 HydrophobicContact CZ-CD1 3.87Å; F1066-F1097 AromaticContact CZ-CE1 3.55Å; F1066-F1097 HydrophobicContact CZ-CE1 3.55Å; F1066-F1097 HydrophobicContact CZ-CZ 4.43Å; F1066-P1098 HydrophobicContact CB-CG 4.07Å; F1066-P1098 HydrophobicContact CD2-CG 3.95Å; F1066-P1098 HydrophobicContact CG-CG 3.97Å; F1066-F1101 AromaticContact CD1-CE2 3.88Å; F1066-F1101 HydrophobicContact CD1-CE2 3.88Å; F1066-F1101 AromaticContact CD1-CZ 3.85Å; F1066-F1101 HydrophobicContact CD1-CZ 3.85Å; F1066-F1101 HydrophobicContact CE1-CE2 4.41Å; F1066-F1101 HydrophobicContact CE1-CZ 4.15Å |
| 1067 | T | 95.6 | Very high | 94.7 | Very high | 48 Ų | 48 | 50.9 Ų | 50.9 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62 | -42.8 | 176.3 | -59.8 | 0 | 0 | 0 | 0 | 111.3 | D1062 A1063 P1064 L1065 Q1070 N1071 | D1062-T1067 PolarHBondContact O-OG1 3.26Å; A1063-T1067 PolarHBondContact O-N 2.84Å; A1063-T1067 VanDerWaalsContact O-N 3.11Å; A1063-T1067 PolarHBondContact O-OG1 2.67Å; P1064-T1067 PolarHBondContact O-N 2.9Å; L1065-T1067 VanDerWaalsContact C-N 3.35Å; T1067-Q1070 PolarHBondContact O-N 2.72Å; T1067-N1071 WeakPolarHBondContact O-CB 3.26Å; T1067-N1071 VanDerWaalsContact O-CG 3.29Å; T1067-N1071 PolarHBondContact O-N 3.16Å; T1067-N1071 PolarHBondContact O-ND2 2.82Å |
| 1068 | A | 95.8 | Very high | 95.2 | Very high | 30 Ų | 30 | 48.8 Ų | 48.8 | 25% | 0.248 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1026 P1064 L1065 F1066 N1071 C1072 | V1026-A1068 HydrophobicContact CG1-CB 3.56Å; P1064-A1068 WeakPolarHBondContact O-CB 3.4Å; P1064-A1068 PolarHBondContact O-N 3.08Å; L1065-A1068 PolarHBondContact O-N 3.16Å; F1066-A1068 PolarHBondContact O-N 3.26Å; A1068-N1071 PolarHBondContact O-N 2.82Å; A1068-C1072 WeakPolarHBondContact O-CB 3.44Å; A1068-C1072 PolarHBondContact O-N 3.04Å |
| 1069 | I | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.3 | -46 | 175.6 | -70.7 | 168.8 | 0 | 0 | 0 | 110.9 | L1033 M1053 L1065 F1066 N1071 C1072 L1075 L1080 L1100 F1101 | L1033-I1069 HydrophobicContact CD1-CD1 4.02Å; L1033-I1069 HydrophobicContact CD1-CG1 4.27Å; M1053-I1069 HydrophobicContact CE-CD1 3.96Å; L1065-I1069 HydrophobicContact CD1-CD1 4.1Å; L1065-I1069 HydrophobicContact CD1-CG1 4.27Å; L1065-I1069 HydrophobicContact CG-CD1 3.99Å; L1065-I1069 WeakPolarHBondContact O-CG1 3.41Å; L1065-I1069 PolarHBondContact O-N 3.3Å; F1066-I1069 PolarHBondContact O-N 2.87Å; I1069-N1071 VanDerWaalsContact C-N 3.3Å; I1069-N1071 PolarHBondContact O-N 2.89Å; I1069-C1072 PolarHBondContact O-N 3.14Å; I1069-L1075 HydrophobicContact CG1-CD1 4.31Å; I1069-L1075 HydrophobicContact CG2-CB 4.14Å; I1069-L1080 HydrophobicContact CG2-CD1 3.5Å; I1069-L1080 VanDerWaalsContact CG2-CD1 3.5Å; I1069-L1100 HydrophobicContact CG2-CD2 4.11Å; I1069-F1101 HydrophobicContact CD1-CZ 4.13Å; I1069-F1101 HydrophobicContact CG2-CZ 4.37Å |
| 1070 | Q | 94.9 | Very high | 95.6 | Very high | 107 Ų | 107 | 40.6 Ų | 40.6 | 50% | 0.5 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62 | -38.3 | 179.7 | -179.4 | 173.6 | -6.7 | 0 | 0 | 112.3 | F1066 T1067 S1076 | F1066-Q1070 WeakPolarHBondContact O-CB 3.26Å; F1066-Q1070 PolarHBondContact O-N 2.8Å; T1067-Q1070 PolarHBondContact O-N 2.72Å; Q1070-S1076 WeakPolarHBondContact O-CB 3.48Å |
| 1071 | N | 93.2 | Very high | 95.8 | Very high | 81 Ų | 81 | 38.3 Ų | 38.3 | 43% | 0.433 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -83.2 | -11 | -179.3 | -68.9 | -21.8 | 0 | 0 | 0 | 113.4 | T1067 A1068 I1069 P1073 | T1067-N1071 WeakPolarHBondContact O-CB 3.26Å; T1067-N1071 VanDerWaalsContact O-CG 3.29Å; T1067-N1071 PolarHBondContact O-N 3.16Å; T1067-N1071 PolarHBondContact O-ND2 2.82Å; A1068-N1071 PolarHBondContact O-N 2.82Å; I1069-N1071 VanDerWaalsContact C-N 3.3Å; I1069-N1071 PolarHBondContact O-N 2.89Å; N1071-P1073 WeakPolarHBondContact O-CD 3.47Å |
| 1072 | C | 94.2 | Very high | 96 | Very high | 19 Ų | 19 | 34.9 Ų | 34.9 | 13% | 0.128 | 20% | 0.199 | C | C | . | . | trans | -78.6 | 120.6 | 176.8 | -175.1 | 0 | 0 | 0 | 0 | 110.5 | A1068 I1069 V1074 L1075 S1076 | A1068-C1072 WeakPolarHBondContact O-CB 3.44Å; A1068-C1072 PolarHBondContact O-N 3.04Å; I1069-C1072 PolarHBondContact O-N 3.14Å; C1072-V1074 PolarHBondContact O-N 3.43Å; C1072-V1074 VanDerWaalsContact O-N 3.11Å; C1072-L1075 HydrophobicContact CB-CB 3.95Å; C1072-L1075 HydrophobicContact CB-CD1 4.24Å; C1072-L1075 HydrophobicContact CB-CG 4.11Å; C1072-L1075 PolarHBondContact O-N 2.92Å; C1072-S1076 VanDerWaalsContact O-CB 3.22Å; C1072-S1076 WeakPolarHBondContact O-CB 3.23Å; C1072-S1076 PolarHBondContact O-N 3.23Å; C1072-S1076 PolarHBondContact O-OG 3.02Å | ||
| 1073 | P | 93.1 | Very high | 96.3 | Very high | 106 Ų | 106 | 31.8 Ų | 31.8 | 69% | 0.688 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -16.3 | -178 | 26.3 | -34.8 | 0 | 0 | 0 | 113.6 | N1071 Q1077 | N1071-P1073 WeakPolarHBondContact O-CD 3.47Å; P1073-Q1077 WeakPolarHBondContact O-CG 3.43Å |
| 1074 | V | 96.3 | Very high | 96.4 | Very high | 39 Ų | 39 | 31.8 Ų | 31.8 | 24% | 0.236 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -53.7 | 175.7 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | V1037 E1038 C1072 S1076 Q1077 | V1037-V1074 HydrophobicContact CB-CG1 4.04Å; V1037-V1074 HydrophobicContact CG1-CG1 3.6Å; E1038-V1074 HydrophobicContact CG-CG1 3.96Å; C1072-V1074 PolarHBondContact O-N 3.43Å; C1072-V1074 VanDerWaalsContact O-N 3.11Å; V1074-S1076 PolarHBondContact O-N 3.43Å; V1074-Q1077 PolarHBondContact O-N 3.32Å |
| 1075 | L | 97.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -72 | -27.2 | -174.3 | -56.4 | 178.8 | 0 | 0 | 0 | 113.4 | C1030 L1033 R1034 V1037 F1045 I1069 C1072 Q1077 V1078 | C1030-L1075 HydrophobicContact CB-CD1 4.42Å; L1033-L1075 HydrophobicContact CB-CD1 3.81Å; L1033-L1075 HydrophobicContact CB-CD2 3.6Å; L1033-L1075 HydrophobicContact CB-CG 4.36Å; L1033-L1075 HydrophobicContact CD1-CD1 4.13Å; R1034-L1075 HydrophobicContact CG-CD1 4.25Å; R1034-L1075 HydrophobicContact CG-CD2 4.09Å; R1034-L1075 HydrophobicContact CG-CG 4.05Å; V1037-L1075 HydrophobicContact CG2-CD2 4.11Å; F1045-L1075 HydrophobicContact CE2-CD2 4.4Å; I1069-L1075 HydrophobicContact CG1-CD1 4.31Å; I1069-L1075 HydrophobicContact CG2-CB 4.14Å; C1072-L1075 HydrophobicContact CB-CB 3.95Å; C1072-L1075 HydrophobicContact CB-CD1 4.24Å; C1072-L1075 HydrophobicContact CB-CG 4.11Å; C1072-L1075 PolarHBondContact O-N 2.92Å; L1075-Q1077 PolarHBondContact O-N 3.48Å; L1075-V1078 VanDerWaalsContact O-CG2 3.25Å; L1075-V1078 WeakPolarHBondContact O-CG2 3.37Å |
| 1076 | S | 96.2 | Very high | 96.3 | Very high | 24 Ų | 24 | 31.9 Ų | 31.9 | 17% | 0.168 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -68.8 | -8.7 | 174.9 | 62.1 | 0 | 0 | 0 | 0 | 114.2 | Q1070 C1072 V1074 | Q1070-S1076 WeakPolarHBondContact O-CB 3.48Å; C1072-S1076 VanDerWaalsContact O-CB 3.22Å; C1072-S1076 WeakPolarHBondContact O-CB 3.23Å; C1072-S1076 PolarHBondContact O-N 3.23Å; C1072-S1076 PolarHBondContact O-OG 3.02Å; V1074-S1076 PolarHBondContact O-N 3.43Å |
| 1077 | Q | 95.3 | Very high | 96.1 | Very high | 110 Ų | 110 | 37.3 Ų | 37.3 | 51% | 0.514 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -106.7 | -5 | -173.6 | -58.2 | -59.5 | -53.7 | 0 | 0 | 113.9 | P1073 V1074 L1075 | P1073-Q1077 WeakPolarHBondContact O-CG 3.43Å; V1074-Q1077 PolarHBondContact O-N 3.32Å; L1075-Q1077 PolarHBondContact O-N 3.48Å |
| 1078 | V | 97.6 | Very high | 96 | Very high | 21 Ų | 21 | 35.6 Ų | 35.6 | 13% | 0.127 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -98.9 | 167.9 | 179.8 | -63.1 | 0 | 0 | 0 | 0 | 111.2 | V1037 D1043 F1045 L1075 L1080 | V1037-V1078 HydrophobicContact CG1-CG1 3.9Å; V1037-V1078 HydrophobicContact CG2-CG1 3.93Å; D1043-V1078 VanDerWaalsContact O-CB 3.26Å; D1043-V1078 WeakPolarHBondContact O-CB 3.37Å; F1045-V1078 HydrophobicContact CD2-CG2 4.22Å; F1045-V1078 HydrophobicContact CE2-CG2 4.19Å; L1075-V1078 VanDerWaalsContact O-CG2 3.25Å; L1075-V1078 WeakPolarHBondContact O-CG2 3.37Å; V1078-L1080 HydrophobicContact CG2-CD2 3.86Å; V1078-L1080 HydrophobicContact CG2-CG 4.5Å |
| 1079 | K | 98.1 | Very high | 95.9 | Very high | 13 Ų | 13 | 40.1 Ų | 40.1 | 6% | 0.057 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 127.8 | 175.4 | -66.8 | -175.9 | -179.7 | 173.9 | 0 | 110 | T858 W860 T863 E969 I971 D1043 G1044 F1045 | T858-K1079 WeakPolarHBondContact O-CE 3.45Å; T858-K1079 PolarHBondContact O-NZ 3.39Å; W860-K1079 HydrophobicContact CH2-CB 3.98Å; W860-K1079 HydrophobicContact CH2-CD 4.19Å; W860-K1079 HydrophobicContact CH2-CG 4.14Å; W860-K1079 HydrophobicContact CZ2-CB 3.66Å; W860-K1079 HydrophobicContact CZ2-CD 4.11Å; W860-K1079 HydrophobicContact CZ2-CG 3.64Å; W860-K1079 HydrophobicContact CZ3-CD 4.43Å; T863-K1079 PolarHBondContact OG1-NZ 2.77Å; E969-K1079 VanDerWaalsContact CD-NZ 3.31Å; E969-K1079 IonicContact OE1-NZ 2.75Å; E969-K1079 PolarHBondContact OE1-NZ 2.83Å; E969-K1079 IonicContact OE2-NZ 3.62Å; E969-K1079 PolarHBondContact OE2-NZ 3.18Å; I971-K1079 HydrophobicContact CD1-CB 4.4Å; I971-K1079 HydrophobicContact CD1-CD 4.23Å; D1043-K1079 PolarHBondContact O-N 2.95Å; G1044-K1079 CarbonylContact C-O 3.51Å; G1044-K1079 WeakPolarHBondContact CA-O 3.29Å; F1045-K1079 PolarHBondContact N-O 2.87Å |
| 1080 | L | 98.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 121.1 | 177.4 | -56.2 | 176.9 | 0 | 0 | 0 | 109 | F1045 F1047 I1069 V1078 L1100 F1101 A1102 | F1045-L1080 HydrophobicContact CD2-CD2 4.07Å; F1047-L1080 HydrophobicContact CE2-CB 4.3Å; F1047-L1080 HydrophobicContact CE2-CD2 3.8Å; F1047-L1080 HydrophobicContact CZ-CD2 4.09Å; I1069-L1080 HydrophobicContact CG2-CD1 3.5Å; I1069-L1080 VanDerWaalsContact CG2-CD1 3.5Å; V1078-L1080 HydrophobicContact CG2-CD2 3.86Å; V1078-L1080 HydrophobicContact CG2-CG 4.5Å; L1080-L1100 HydrophobicContact CD1-CD2 3.53Å; L1080-L1100 HydrophobicContact CD1-CG 3.84Å; L1080-F1101 HydrophobicContact CB-CD1 3.65Å; L1080-F1101 HydrophobicContact CB-CE1 3.79Å; L1080-F1101 HydrophobicContact CB-CG 4.13Å; L1080-F1101 HydrophobicContact CB-CZ 4.35Å; L1080-F1101 HydrophobicContact CD1-CD1 4.5Å; L1080-F1101 HydrophobicContact CD1-CD2 4.44Å; L1080-F1101 HydrophobicContact CD1-CE1 4.08Å; L1080-F1101 HydrophobicContact CD1-CE2 3.99Å; L1080-F1101 HydrophobicContact CD1-CZ 3.8Å; L1080-F1101 HydrophobicContact CG-CE1 4.45Å; L1080-A1102 PolarHBondContact O-N 2.78Å |
| 1081 | I | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 125.5 | -178.1 | -57.7 | 167.9 | 0 | 0 | 0 | 108.2 | W860 I865 I971 F1045 R1046 F1047 A1102 I1148 | W860-I1081 HydrophobicContact CH2-CD1 4.25Å; W860-I1081 HydrophobicContact CH2-CG1 3.86Å; I865-I1081 HydrophobicContact CD1-CD1 3.6Å; I971-I1081 HydrophobicContact CD1-CD1 4.11Å; F1045-I1081 PolarHBondContact O-N 3.06Å; R1046-I1081 CarbonylContact C-O 3.56Å; R1046-I1081 VanDerWaalsContact CA-O 3.27Å; R1046-I1081 WeakPolarHBondContact CA-O 3.42Å; R1046-I1081 HydrophobicContact CB-CB 4.17Å; R1046-I1081 HydrophobicContact CG-CB 4.23Å; R1046-I1081 HydrophobicContact CG-CG2 4.05Å; F1047-I1081 WeakPolarHBondContact CD2-O 3.2Å; F1047-I1081 PolarHBondContact N-O 3.47Å; I1081-A1102 CarbonylContact C-O 3.53Å; I1081-A1102 WeakPolarHBondContact CA-O 3.43Å; I1081-A1102 HydrophobicContact CG1-CB 4.44Å; I1081-I1148 HydrophobicContact CD1-CD1 4.44Å; I1081-I1148 HydrophobicContact CG1-CD1 4.42Å; I1081-I1148 HydrophobicContact CG1-CG1 4.36Å; I1081-I1148 HydrophobicContact CG2-CG1 3.85Å |
| 1082 | A | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 136.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | A1050 P1084 F1097 F1101 A1102 E1103 W1104 | A1050-A1082 HydrophobicContact CB-CB 3.61Å; A1082-P1084 VanDerWaalsContact O-CD 3.27Å; A1082-P1084 WeakPolarHBondContact O-CD 3.41Å; A1082-F1097 HydrophobicContact CB-CD1 3.65Å; A1082-F1097 HydrophobicContact CB-CD2 4.25Å; A1082-F1097 HydrophobicContact CB-CE1 3.49Å; A1082-F1097 VanDerWaalsContact CB-CE1 3.49Å; A1082-F1097 HydrophobicContact CB-CE2 4.14Å; A1082-F1097 HydrophobicContact CB-CG 4.03Å; A1082-F1097 HydrophobicContact CB-CZ 3.75Å; A1082-F1101 HydrophobicContact CB-CD1 4.42Å; A1082-A1102 PolarHBondContact N-O 3.44Å; A1082-E1103 HydrophobicContact CB-CG 4.26Å; A1082-E1103 WeakPolarHBondContact O-CA 3.48Å; A1082-W1104 PolarHBondContact O-N 2.64Å |
| 1083 | E | 97.4 | Very high | 95.9 | Very high | 8 Ų | 8 | 39.5 Ų | 39.5 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | trans | -80.7 | 103.4 | 150 | -176 | -175.7 | -156.1 | 0 | 0 | 107.8 | R1046 F1047 L1049 A1050 W1085 W1104 | R1046-E1083 IonicContact NH2-OE2 2.8Å; F1047-E1083 WeakPolarHBondContact O-CB 3.42Å; F1047-E1083 PolarHBondContact O-N 2.77Å; L1049-E1083 PolarHBondContact N-OE2 3.06Å; A1050-E1083 VanDerWaalsContact CB-O 3.31Å; A1050-E1083 WeakPolarHBondContact CB-O 3.32Å; A1050-E1083 PolarHBondContact N-O 2.86Å; E1083-W1085 VanDerWaalsContact CD-NE1 3.33Å; E1083-W1085 HydrophobicContact CG-CD2 4.14Å; E1083-W1085 VanDerWaalsContact CG-CE2 3.46Å; E1083-W1085 HydrophobicContact CG-CG 4.4Å; E1083-W1085 HydrophobicContact CG-CZ2 3.71Å; E1083-W1085 VanDerWaalsContact CG-NE1 3.31Å; E1083-W1085 PolarHBondContact O-N 2.75Å; E1083-W1085 PolarHBondContact OE1-NE1 2.85Å; E1083-W1104 HydrophobicContact CB-CE3 4.44Å; E1083-W1104 HydrophobicContact CG-CE3 4.08Å; E1083-W1104 HydrophobicContact CG-CZ3 4.49Å | ||
| 1084 | P | 97 | Very high | 96 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -88.4 | 35.1 | -159.8 | 38.9 | -40.7 | 0 | 0 | 0 | 112.8 | A1082 Q1093 V1094 F1097 E1103 | A1082-P1084 VanDerWaalsContact O-CD 3.27Å; A1082-P1084 WeakPolarHBondContact O-CD 3.41Å; P1084-Q1093 CarbonylContact O-C 3.58Å; P1084-Q1093 WeakPolarHBondContact O-CA 3.31Å; P1084-Q1093 WeakPolarHBondContact O-CB 3.42Å; P1084-Q1093 PolarHBondContact O-N 3.06Å; P1084-V1094 HydrophobicContact CB-CG2 4.26Å; P1084-V1094 HydrophobicContact CG-CB 4.11Å; P1084-V1094 HydrophobicContact CG-CG2 3.4Å; P1084-V1094 VanDerWaalsContact CG-CG2 3.4Å; P1084-F1097 HydrophobicContact CB-CD2 3.87Å; P1084-F1097 HydrophobicContact CB-CE2 3.43Å; P1084-F1097 VanDerWaalsContact CB-CE2 3.43Å; P1084-F1097 HydrophobicContact CB-CZ 4.31Å; P1084-E1103 HydrophobicContact CB-CB 4.43Å; P1084-E1103 HydrophobicContact CB-CG 4.48Å; P1084-E1103 WeakPolarHBondContact CB-OE2 3.42Å; P1084-E1103 HydrophobicContact CG-CB 4.3Å | ||
| 1085 | W | 95.8 | Very high | 96 | Very high | 42 Ų | 42 | 33.2 Ų | 33.2 | 16% | 0.159 | 19% | 0.185 | C | C | . | . | trans | -142.6 | 152.8 | 178.8 | 48.7 | 72.1 | 0 | 0 | 0 | 113.5 | L1049 E1083 G1091 Y1092 V1094 W1104 D1106 | L1049-W1085 VanDerWaalsContact CA-O 3.29Å; L1049-W1085 WeakPolarHBondContact CA-O 3.37Å; L1049-W1085 WeakPolarHBondContact CD2-O 3.49Å; E1083-W1085 VanDerWaalsContact CD-NE1 3.33Å; E1083-W1085 HydrophobicContact CG-CD2 4.14Å; E1083-W1085 VanDerWaalsContact CG-CE2 3.46Å; E1083-W1085 HydrophobicContact CG-CG 4.4Å; E1083-W1085 HydrophobicContact CG-CZ2 3.71Å; E1083-W1085 VanDerWaalsContact CG-NE1 3.31Å; E1083-W1085 PolarHBondContact O-N 2.75Å; E1083-W1085 PolarHBondContact OE1-NE1 2.85Å; W1085-G1091 VanDerWaalsContact CA-O 3.26Å; W1085-G1091 WeakPolarHBondContact CA-O 3.41Å; W1085-Y1092 HydrophobicContact CB-CD2 4.14Å; W1085-Y1092 HydrophobicContact CE3-CD2 4.41Å; W1085-Y1092 HydrophobicContact CE3-CE2 4.1Å; W1085-V1094 HydrophobicContact CE3-CG2 3.72Å; W1085-V1094 HydrophobicContact CZ3-CG2 3.76Å; W1085-W1104 HydrophobicContact CH2-CB 3.87Å; W1085-W1104 HydrophobicContact CH2-CE3 4.23Å; W1085-W1104 AromaticContact CZ2-CE3 3.91Å; W1085-W1104 HydrophobicContact CZ2-CE3 3.91Å; W1085-W1104 HydrophobicContact CZ3-CB 4.47Å; W1085-D1106 HydrophobicContact CH2-CB 3.94Å; W1085-D1106 HydrophobicContact CZ3-CB 3.85Å | ||
| 1086 | D | 95.2 | Very high | 95.9 | Very high | 16 Ų | 16 | 36.3 Ų | 36.3 | 9% | 0.086 | 20% | 0.202 | C | C | . | . | trans | -141.2 | 175.7 | 167 | 71 | 48 | 0 | 0 | 0 | 110.1 | L1049 A1051 V1052 R1055 A1088 G1091 | L1049-D1086 HydrophobicContact CB-CB 4.42Å; A1051-D1086 HydrophobicContact CB-CB 4.16Å; A1051-D1086 VanDerWaalsContact CB-OD2 3.28Å; A1051-D1086 WeakPolarHBondContact CB-OD2 3.33Å; V1052-D1086 HydrophobicContact CG2-CB 4.03Å; R1055-D1086 IonicContact CZ-OD1 3.4Å; R1055-D1086 IonicContact CZ-OD2 3.1Å; R1055-D1086 VanDerWaalsContact CZ-OD2 3.29Å; R1055-D1086 IonicContact NE-OD1 3.23Å; R1055-D1086 IonicContact NE-OD2 2.7Å; R1055-D1086 PolarHBondContact NE-OD2 3.28Å; R1055-D1086 VanDerWaalsContact NH2-CG 3.3Å; R1055-D1086 IonicContact NH2-OD1 3.37Å; R1055-D1086 PolarHBondContact NH2-OD1 2.99Å; R1055-D1086 IonicContact NH2-OD2 2.69Å; R1055-D1086 PolarHBondContact NH2-OD2 3.14Å; D1086-A1088 WeakPolarHBondContact OD1-CB 3.15Å; D1086-A1088 PolarHBondContact OD1-N 3.32Å; D1086-G1091 PolarHBondContact N-O 3.26Å; D1086-G1091 WeakPolarHBondContact OD1-CA 3.44Å | ||
| 1087 | I | 93.7 | Very high | 95.8 | Very high | 116 Ų | 116 | 35.1 Ų | 35.1 | 60% | 0.595 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -86.8 | -5 | -173.4 | 64.8 | 156.7 | 0 | 0 | 0 | 114.2 | W1011 | W1011-I1087 WeakPolarHBondContact O-CG1 3.47Å; W1011-I1087 PolarHBondContact O-N 2.99Å |
| 1088 | A | 92.8 | Very high | 95.7 | Very high | 13 Ų | 13 | 30.2 Ų | 30.2 | 11% | 0.107 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -85.1 | 163.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | W1011 D1086 G1090 G1091 | W1011-A1088 HydrophobicContact CB-CB 3.63Å; W1011-A1088 HydrophobicContact CG-CB 3.54Å; D1086-A1088 WeakPolarHBondContact OD1-CB 3.15Å; D1086-A1088 PolarHBondContact OD1-N 3.32Å; A1088-G1090 PolarHBondContact O-N 3.05Å; A1088-G1091 WeakPolarHBondContact O-CA 3.32Å; A1088-G1091 PolarHBondContact O-N 3.27Å |
| 1089 | P | 92.5 | Very high | 95.4 | Very high | 124 Ų | 124 | 32.9 Ų | 32.9 | 81% | 0.805 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 131.8 | 174 | -26.6 | 35.7 | 0 | 0 | 0 | 111.2 | R1055 G1091 | R1055-P1089 PolarHBondContact NH2-O 3.04Å; P1089-G1091 VanDerWaalsContact C-N 3.25Å; P1089-G1091 PolarHBondContact O-N 3.1Å |
| 1090 | G | 92.5 | Very high | 95.2 | Very high | 53 Ų | 53 | 35 Ų | 35 | 55% | 0.546 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 17.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A1088 Q1093 | A1088-G1090 PolarHBondContact O-N 3.05Å; G1090-Q1093 PolarHBondContact O-NE2 3.12Å |
| 1091 | G | 93.9 | Very high | 95.1 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | trans | -68.4 | -30.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | A1051 W1085 D1086 A1088 P1089 Q1093 | A1051-G1091 VanDerWaalsContact CB-O 3.27Å; A1051-G1091 WeakPolarHBondContact CB-O 3.5Å; W1085-G1091 VanDerWaalsContact CA-O 3.26Å; W1085-G1091 WeakPolarHBondContact CA-O 3.41Å; D1086-G1091 PolarHBondContact N-O 3.26Å; D1086-G1091 WeakPolarHBondContact OD1-CA 3.44Å; A1088-G1091 WeakPolarHBondContact O-CA 3.32Å; A1088-G1091 PolarHBondContact O-N 3.27Å; P1089-G1091 VanDerWaalsContact C-N 3.25Å; P1089-G1091 PolarHBondContact O-N 3.1Å; G1091-Q1093 PolarHBondContact O-N 3.16Å | ||
| 1092 | Y | 96.4 | Very high | 95.1 | Very high | 112 Ų | 112 | 35.2 Ų | 35.2 | 44% | 0.439 | 20% | 0.202 | S | C | . | . | trans | -77.1 | 110.7 | -179.2 | -169.2 | -93.7 | 0 | 0 | 0 | 111.9 | W1085 V1094 D1106 H1107 | W1085-Y1092 HydrophobicContact CB-CD2 4.14Å; W1085-Y1092 HydrophobicContact CE3-CD2 4.41Å; W1085-Y1092 HydrophobicContact CE3-CE2 4.1Å; Y1092-V1094 HydrophobicContact CD2-CG2 4.39Å; Y1092-V1094 HydrophobicContact CE1-CB 4Å; Y1092-V1094 HydrophobicContact CE1-CG2 3.85Å; Y1092-V1094 HydrophobicContact CE2-CG2 3.71Å; Y1092-V1094 VanDerWaalsContact CZ-CG2 3.42Å; Y1092-D1106 WeakPolarHBondContact CE2-OD2 3.5Å; Y1092-D1106 PolarHBondContact OH-OD1 3.4Å; Y1092-D1106 PolarHBondContact OH-OD2 2.85Å; Y1092-H1107 PolarHBondContact OH-NE2 3.25Å | ||
| 1093 | Q | 96.8 | Very high | 95.1 | Very high | 27 Ų | 27 | 35.2 Ų | 35.2 | 13% | 0.126 | 20% | 0.202 | C | C | . | . | trans | -130 | 23.4 | -168.8 | -65.6 | -62.4 | -19.7 | 0 | 0 | 113.2 | A1051 F1059 P1084 G1090 G1091 G1095 N1096 F1097 | A1051-Q1093 HydrophobicContact CB-CG 4.34Å; F1059-Q1093 HydrophobicContact CB-CG 4.02Å; F1059-Q1093 HydrophobicContact CD1-CB 4.42Å; F1059-Q1093 VanDerWaalsContact CD1-CD 3.48Å; F1059-Q1093 HydrophobicContact CD1-CG 3.78Å; F1059-Q1093 HydrophobicContact CD2-CB 4.47Å; F1059-Q1093 HydrophobicContact CD2-CG 3.84Å; F1059-Q1093 HydrophobicContact CE1-CB 4.32Å; F1059-Q1093 HydrophobicContact CE1-CG 4.17Å; F1059-Q1093 HydrophobicContact CE2-CB 4.37Å; F1059-Q1093 HydrophobicContact CE2-CG 4.23Å; F1059-Q1093 HydrophobicContact CG-CB 4.5Å; F1059-Q1093 HydrophobicContact CG-CG 3.6Å; F1059-Q1093 HydrophobicContact CZ-CB 4.29Å; F1059-Q1093 HydrophobicContact CZ-CG 4.38Å; P1084-Q1093 CarbonylContact O-C 3.58Å; P1084-Q1093 WeakPolarHBondContact O-CA 3.31Å; P1084-Q1093 WeakPolarHBondContact O-CB 3.42Å; P1084-Q1093 PolarHBondContact O-N 3.06Å; G1090-Q1093 PolarHBondContact O-NE2 3.12Å; G1091-Q1093 PolarHBondContact O-N 3.16Å; Q1093-G1095 PolarHBondContact O-N 3.29Å; Q1093-N1096 HydrophobicContact CB-CB 4.22Å; Q1093-N1096 WeakPolarHBondContact O-CA 3.25Å; Q1093-N1096 VanDerWaalsContact O-CB 3.31Å; Q1093-N1096 WeakPolarHBondContact O-CB 3.04Å; Q1093-N1096 PolarHBondContact O-N 2.75Å; Q1093-N1096 VanDerWaalsContact OE1-CB 3.23Å; Q1093-N1096 PolarHBondContact OE1-ND2 3.02Å; Q1093-F1097 HydrophobicContact CB-CD2 4.49Å; Q1093-F1097 HydrophobicContact CB-CE2 3.96Å | ||
| 1094 | V | 96.7 | Very high | 95.1 | Very high | 12 Ų | 12 | 35 Ų | 35 | 7% | 0.073 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 126.4 | 176.5 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | P1084 W1085 Y1092 N1096 E1103 V1136 F1137 | P1084-V1094 HydrophobicContact CB-CG2 4.26Å; P1084-V1094 HydrophobicContact CG-CB 4.11Å; P1084-V1094 HydrophobicContact CG-CG2 3.4Å; P1084-V1094 VanDerWaalsContact CG-CG2 3.4Å; W1085-V1094 HydrophobicContact CE3-CG2 3.72Å; W1085-V1094 HydrophobicContact CZ3-CG2 3.76Å; Y1092-V1094 HydrophobicContact CD2-CG2 4.39Å; Y1092-V1094 HydrophobicContact CE1-CB 4Å; Y1092-V1094 HydrophobicContact CE1-CG2 3.85Å; Y1092-V1094 HydrophobicContact CE2-CG2 3.71Å; Y1092-V1094 VanDerWaalsContact CZ-CG2 3.42Å; V1094-N1096 VanDerWaalsContact C-N 3.25Å; V1094-N1096 PolarHBondContact O-N 3.33Å; V1094-E1103 WeakPolarHBondContact CA-OE2 3.4Å; V1094-V1136 HydrophobicContact CG1-CG1 4.07Å; V1094-F1137 HydrophobicContact CG1-CE1 4.46Å; V1094-F1137 HydrophobicContact CG1-CZ 3.79Å |
| 1095 | G | 95.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | -7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q1093 E1103 R1139 R1142 | Q1093-G1095 PolarHBondContact O-N 3.29Å; G1095-E1103 WeakPolarHBondContact CA-OE1 3.14Å; G1095-E1103 PolarHBondContact N-OE2 3.12Å; G1095-R1139 PolarHBondContact O-NE 2.97Å; G1095-R1139 PolarHBondContact O-NH2 3.01Å; G1095-R1142 PolarHBondContact O-NH1 3.47Å |
| 1096 | N | 95 | Very high | 95.1 | Very high | 66 Ų | 66 | 33.7 Ų | 33.7 | 35% | 0.353 | 20% | 0.197 | S | C | . | . | trans | -98.8 | 6.5 | -174.6 | -71.8 | -29.3 | 0 | 0 | 0 | 114.3 | F1059 Q1061 Q1093 V1094 | F1059-N1096 HydrophobicContact CE1-CB 4.21Å; F1059-N1096 WeakPolarHBondContact CE1-O 3.49Å; Q1061-N1096 WeakPolarHBondContact CG-O 3.12Å; Q1061-N1096 PolarHBondContact NE2-O 2.84Å; Q1093-N1096 HydrophobicContact CB-CB 4.22Å; Q1093-N1096 WeakPolarHBondContact O-CA 3.25Å; Q1093-N1096 VanDerWaalsContact O-CB 3.31Å; Q1093-N1096 WeakPolarHBondContact O-CB 3.04Å; Q1093-N1096 PolarHBondContact O-N 2.75Å; Q1093-N1096 VanDerWaalsContact OE1-CB 3.23Å; Q1093-N1096 PolarHBondContact OE1-ND2 3.02Å; V1094-N1096 VanDerWaalsContact C-N 3.25Å; V1094-N1096 PolarHBondContact O-N 3.33Å | ||
| 1097 | F | 95.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -78.7 | 161 | 176 | -81.4 | -110 | 0 | 0 | 0 | 113.4 | A1050 F1059 F1066 A1082 P1084 Q1093 F1101 E1103 R1139 R1142 | A1050-F1097 HydrophobicContact CB-CE1 3.71Å; A1050-F1097 HydrophobicContact CB-CZ 3.66Å; F1059-F1097 HydrophobicContact CE2-CE1 4.22Å; F1059-F1097 AromaticContact CE2-CE2 3.97Å; F1059-F1097 HydrophobicContact CE2-CE2 3.97Å; F1059-F1097 AromaticContact CE2-CZ 3.81Å; F1059-F1097 HydrophobicContact CE2-CZ 3.81Å; F1059-F1097 HydrophobicContact CZ-CD1 4.47Å; F1059-F1097 HydrophobicContact CZ-CD2 4.04Å; F1059-F1097 HydrophobicContact CZ-CE1 4.39Å; F1059-F1097 AromaticContact CZ-CE2 3.94Å; F1059-F1097 HydrophobicContact CZ-CE2 3.94Å; F1059-F1097 HydrophobicContact CZ-CG 4.3Å; F1059-F1097 HydrophobicContact CZ-CZ 4.13Å; F1066-F1097 HydrophobicContact CE1-CD1 4.14Å; F1066-F1097 AromaticContact CE1-CE1 3.94Å; F1066-F1097 HydrophobicContact CE1-CE1 3.94Å; F1066-F1097 AromaticContact CZ-CD1 3.87Å; F1066-F1097 HydrophobicContact CZ-CD1 3.87Å; F1066-F1097 AromaticContact CZ-CE1 3.55Å; F1066-F1097 HydrophobicContact CZ-CE1 3.55Å; F1066-F1097 HydrophobicContact CZ-CZ 4.43Å; A1082-F1097 HydrophobicContact CB-CD1 3.65Å; A1082-F1097 HydrophobicContact CB-CD2 4.25Å; A1082-F1097 HydrophobicContact CB-CE1 3.49Å; A1082-F1097 VanDerWaalsContact CB-CE1 3.49Å; A1082-F1097 HydrophobicContact CB-CE2 4.14Å; A1082-F1097 HydrophobicContact CB-CG 4.03Å; A1082-F1097 HydrophobicContact CB-CZ 3.75Å; P1084-F1097 HydrophobicContact CB-CD2 3.87Å; P1084-F1097 HydrophobicContact CB-CE2 3.43Å; P1084-F1097 VanDerWaalsContact CB-CE2 3.43Å; P1084-F1097 HydrophobicContact CB-CZ 4.31Å; Q1093-F1097 HydrophobicContact CB-CD2 4.49Å; Q1093-F1097 HydrophobicContact CB-CE2 3.96Å; F1097-F1101 HydrophobicContact CB-CB 4.03Å; F1097-F1101 HydrophobicContact CD1-CB 4.35Å; F1097-F1101 HydrophobicContact CD1-CD1 4.4Å; F1097-F1101 HydrophobicContact CD1-CG 4.28Å; F1097-E1103 HydrophobicContact CB-CG 4.01Å; F1097-E1103 HydrophobicContact CD2-CG 4.15Å; F1097-E1103 WeakPolarHBondContact CD2-OE2 3.4Å; F1097-E1103 HydrophobicContact CG-CG 4.2Å; F1097-E1103 PolarHBondContact N-OE1 3.06Å; F1097-R1139 PolarHBondContact O-NH2 2.84Å; F1097-R1142 PolarHBondContact O-NH1 3.1Å |
| 1098 | P | 93.4 | Very high | 95.4 | Very high | 6 Ų | 6 | 30.6 Ų | 30.6 | 4% | 0.039 | 18% | 0.179 | C | C | . | . | trans | -59.3 | 156.7 | 175.4 | -22 | 34.5 | 0 | 0 | 0 | 112.3 | Q1061 F1066 L1100 F1101 | Q1061-P1098 HydrophobicContact CB-CG 4.49Å; Q1061-P1098 VanDerWaalsContact O-CG 3.25Å; Q1061-P1098 WeakPolarHBondContact O-CG 3.46Å; F1066-P1098 HydrophobicContact CB-CG 4.07Å; F1066-P1098 HydrophobicContact CD2-CG 3.95Å; F1066-P1098 HydrophobicContact CG-CG 3.97Å; P1098-L1100 PolarHBondContact O-N 3.38Å; P1098-F1101 HydrophobicContact CB-CD2 4.4Å; P1098-F1101 HydrophobicContact CG-CD2 4.44Å; P1098-F1101 PolarHBondContact O-N 3.02Å | ||
| 1099 | P | 90.8 | Very high | 95.6 | Very high | 77 Ų | 77 | 32.1 Ų | 32.1 | 50% | 0.5 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -25.2 | -173.4 | -27.1 | 35.1 | 0 | 0 | 0 | 116 | F1101 R1142 | P1099-F1101 VanDerWaalsContact C-N 3.33Å; P1099-R1142 HydrophobicContact CB-CG 4Å |
| 1100 | L | 92.7 | Very high | 95.8 | Very high | 57 Ų | 57 | 27.8 Ų | 27.8 | 30% | 0.298 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -25.8 | -179.5 | -171.8 | 68.2 | 0 | 0 | 0 | 113.6 | I1069 L1080 P1098 | I1069-L1100 HydrophobicContact CG2-CD2 4.11Å; L1080-L1100 HydrophobicContact CD1-CD2 3.53Å; L1080-L1100 HydrophobicContact CD1-CG 3.84Å; P1098-L1100 PolarHBondContact O-N 3.38Å |
| 1101 | F | 96.6 | Very high | 96 | Very high | 5 Ų | 5 | 25.7 Ų | 25.7 | 2% | 0.022 | 13% | 0.129 | C | C | . | . | trans | -92.1 | 138.7 | -175.5 | -72.5 | -103.3 | 0 | 0 | 0 | 111.3 | F1047 M1053 F1066 I1069 L1080 A1082 F1097 P1098 P1099 R1142 | F1047-F1101 HydrophobicContact CD2-CD1 4.49Å; F1047-F1101 AromaticContact CD2-CE1 3.92Å; F1047-F1101 HydrophobicContact CD2-CE1 3.92Å; F1047-F1101 AromaticContact CE2-CE1 3.75Å; F1047-F1101 HydrophobicContact CE2-CE1 3.75Å; M1053-F1101 HydrophobicContact CE-CE1 4.43Å; M1053-F1101 HydrophobicContact CE-CZ 4.46Å; F1066-F1101 AromaticContact CD1-CE2 3.88Å; F1066-F1101 HydrophobicContact CD1-CE2 3.88Å; F1066-F1101 AromaticContact CD1-CZ 3.85Å; F1066-F1101 HydrophobicContact CD1-CZ 3.85Å; F1066-F1101 HydrophobicContact CE1-CE2 4.41Å; F1066-F1101 HydrophobicContact CE1-CZ 4.15Å; I1069-F1101 HydrophobicContact CD1-CZ 4.13Å; I1069-F1101 HydrophobicContact CG2-CZ 4.37Å; L1080-F1101 HydrophobicContact CB-CD1 3.65Å; L1080-F1101 HydrophobicContact CB-CE1 3.79Å; L1080-F1101 HydrophobicContact CB-CG 4.13Å; L1080-F1101 HydrophobicContact CB-CZ 4.35Å; L1080-F1101 HydrophobicContact CD1-CD1 4.5Å; L1080-F1101 HydrophobicContact CD1-CD2 4.44Å; L1080-F1101 HydrophobicContact CD1-CE1 4.08Å; L1080-F1101 HydrophobicContact CD1-CE2 3.99Å; L1080-F1101 HydrophobicContact CD1-CZ 3.8Å; L1080-F1101 HydrophobicContact CG-CE1 4.45Å; A1082-F1101 HydrophobicContact CB-CD1 4.42Å; F1097-F1101 HydrophobicContact CB-CB 4.03Å; F1097-F1101 HydrophobicContact CD1-CB 4.35Å; F1097-F1101 HydrophobicContact CD1-CD1 4.4Å; F1097-F1101 HydrophobicContact CD1-CG 4.28Å; P1098-F1101 HydrophobicContact CB-CD2 4.4Å; P1098-F1101 HydrophobicContact CG-CD2 4.44Å; P1098-F1101 PolarHBondContact O-N 3.02Å; P1099-F1101 VanDerWaalsContact C-N 3.33Å; F1101-R1142 PolarHBondContact O-NH2 2.92Å | ||
| 1102 | A | 97.9 | Very high | 96.2 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 3% | 0.025 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 162.2 | 156.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | W860 L1080 I1081 A1082 S1145 A1146 I1148 | W860-A1102 HydrophobicContact CH2-CB 3.73Å; W860-A1102 HydrophobicContact CZ2-CB 4.21Å; W860-A1102 HydrophobicContact CZ3-CB 4.15Å; L1080-A1102 PolarHBondContact O-N 2.78Å; I1081-A1102 CarbonylContact C-O 3.53Å; I1081-A1102 WeakPolarHBondContact CA-O 3.43Å; I1081-A1102 HydrophobicContact CG1-CB 4.44Å; A1082-A1102 PolarHBondContact N-O 3.44Å; A1102-S1145 WeakPolarHBondContact CB-O 3.23Å; A1102-A1146 CarbonylContact C-O 3.57Å; A1102-A1146 WeakPolarHBondContact CA-O 3.05Å; A1102-I1148 HydrophobicContact CB-CD1 3.71Å; A1102-I1148 HydrophobicContact CB-CG1 3.93Å |
| 1103 | E | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 142.4 | -173.6 | -58.4 | 173.7 | -118 | 0 | 0 | 110.7 | A1082 P1084 V1094 G1095 F1097 N1105 F1137 R1142 A1146 I1148 | A1082-E1103 HydrophobicContact CB-CG 4.26Å; A1082-E1103 WeakPolarHBondContact O-CA 3.48Å; P1084-E1103 HydrophobicContact CB-CB 4.43Å; P1084-E1103 HydrophobicContact CB-CG 4.48Å; P1084-E1103 WeakPolarHBondContact CB-OE2 3.42Å; P1084-E1103 HydrophobicContact CG-CB 4.3Å; V1094-E1103 WeakPolarHBondContact CA-OE2 3.4Å; G1095-E1103 WeakPolarHBondContact CA-OE1 3.14Å; G1095-E1103 PolarHBondContact N-OE2 3.12Å; F1097-E1103 HydrophobicContact CB-CG 4.01Å; F1097-E1103 HydrophobicContact CD2-CG 4.15Å; F1097-E1103 WeakPolarHBondContact CD2-OE2 3.4Å; F1097-E1103 HydrophobicContact CG-CG 4.2Å; F1097-E1103 PolarHBondContact N-OE1 3.06Å; E1103-N1105 PolarHBondContact O-N 3.4Å; E1103-F1137 HydrophobicContact CB-CE1 3.82Å; E1103-F1137 HydrophobicContact CB-CZ 4.22Å; E1103-F1137 HydrophobicContact CG-CE1 4.23Å; E1103-R1142 IonicContact OE1-CZ 2.67Å; E1103-R1142 IonicContact OE1-NH1 3.39Å; E1103-R1142 PolarHBondContact OE1-NH1 3.05Å; E1103-R1142 IonicContact OE1-NH2 3.54Å; E1103-R1142 PolarHBondContact OE1-NH2 3.42Å; E1103-A1146 PolarHBondContact N-O 3.31Å; E1103-I1148 WeakPolarHBondContact O-CB 3.47Å; E1103-I1148 PolarHBondContact O-N 3.28Å |
| 1104 | W | 98 | Very high | 96.2 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.015 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 127.8 | 166.7 | -83.6 | 8.4 | 0 | 0 | 0 | 110.9 | E867 A1082 E1083 W1085 L1150 A1153 H1154 M1223 | E867-W1104 WeakPolarHBondContact OE1-CZ2 3.48Å; A1082-W1104 PolarHBondContact O-N 2.64Å; E1083-W1104 HydrophobicContact CB-CE3 4.44Å; E1083-W1104 HydrophobicContact CG-CE3 4.08Å; E1083-W1104 HydrophobicContact CG-CZ3 4.49Å; W1085-W1104 HydrophobicContact CH2-CB 3.87Å; W1085-W1104 HydrophobicContact CH2-CE3 4.23Å; W1085-W1104 AromaticContact CZ2-CE3 3.91Å; W1085-W1104 HydrophobicContact CZ2-CE3 3.91Å; W1085-W1104 HydrophobicContact CZ3-CB 4.47Å; W1104-L1150 HydrophobicContact CB-CD2 4.03Å; W1104-L1150 HydrophobicContact CD2-CD1 4.36Å; W1104-L1150 HydrophobicContact CE3-CD1 4.5Å; W1104-L1150 HydrophobicContact CG-CD2 4.08Å; W1104-A1153 HydrophobicContact CH2-CB 3.64Å; W1104-A1153 HydrophobicContact CZ2-CB 4.25Å; W1104-A1153 HydrophobicContact CZ3-CB 4.07Å; W1104-H1154 AromaticContact CH2-CE1 4Å; W1104-M1223 HydrophobicContact CH2-CE 4.48Å; W1104-M1223 HydrophobicContact CZ2-CE 3.74Å; W1104-M1223 HydrophobicContact CZ2-SD 3.96Å; W1104-M1223 PolarHBondContact NE1-SD 3.08Å; W1104-M1223 VanDerWaalsContact NE1-SD 3.42Å |
| 1105 | N | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 82.2 | -174.5 | -175.2 | 5.5 | 0 | 0 | 0 | 110.9 | E1103 H1107 F1108 R1109 S1133 F1137 A1147 I1148 N1149 | E1103-N1105 PolarHBondContact O-N 3.4Å; N1105-H1107 VanDerWaalsContact C-N 3.26Å; N1105-H1107 PolarHBondContact O-N 2.76Å; N1105-H1107 WeakPolarHBondContact OD1-CB 3.48Å; N1105-F1108 HydrophobicContact CB-CB 4.19Å; N1105-F1108 WeakPolarHBondContact ND2-CB 3.31Å; N1105-F1108 WeakPolarHBondContact O-CB 3.31Å; N1105-F1108 PolarHBondContact O-N 3.47Å; N1105-F1108 VanDerWaalsContact O-N 3.1Å; N1105-F1108 PolarHBondContact OD1-N 2.99Å; N1105-F1108 VanDerWaalsContact OD1-N 3.15Å; N1105-R1109 PolarHBondContact O-N 2.91Å; N1105-S1133 PolarHBondContact ND2-OG 3.03Å; N1105-S1133 PolarHBondContact OD1-OG 3.28Å; N1105-S1133 VanDerWaalsContact OD1-OG 3.09Å; N1105-F1137 HydrophobicContact CB-CE2 4.16Å; N1105-F1137 HydrophobicContact CB-CZ 4.4Å; N1105-A1147 HydrophobicContact CB-CB 4.42Å; N1105-I1148 VanDerWaalsContact CB-O 3.24Å; N1105-I1148 WeakPolarHBondContact CB-O 3.37Å; N1105-I1148 PolarHBondContact N-O 2.92Å; N1105-N1149 PolarHBondContact ND2-OD1 2.89Å |
| 1106 | D | 95.8 | Very high | 96.2 | Very high | 14 Ų | 14 | 22.4 Ų | 22.4 | 8% | 0.075 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.2 | -27.8 | 176.3 | 70.3 | -24.9 | 0 | 0 | 0 | 113 | W1085 Y1092 F1108 R1109 D1110 | W1085-D1106 HydrophobicContact CH2-CB 3.94Å; W1085-D1106 HydrophobicContact CZ3-CB 3.85Å; Y1092-D1106 WeakPolarHBondContact CE2-OD2 3.5Å; Y1092-D1106 PolarHBondContact OH-OD1 3.4Å; Y1092-D1106 PolarHBondContact OH-OD2 2.85Å; D1106-F1108 PolarHBondContact O-N 3.27Å; D1106-R1109 WeakPolarHBondContact O-CB 3.42Å; D1106-R1109 PolarHBondContact O-N 3.14Å; D1106-D1110 WeakPolarHBondContact O-CB 3.22Å; D1106-D1110 PolarHBondContact O-N 3.48Å |
| 1107 | H | 97 | Very high | 96.3 | Very high | 64 Ų | 64 | 19.3 Ų | 19.3 | 30% | 0.296 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -58 | -37.1 | 170.2 | -69.3 | -78.2 | 0 | 0 | 0 | 112 | Y1092 N1105 A1111 | Y1092-H1107 PolarHBondContact OH-NE2 3.25Å; N1105-H1107 VanDerWaalsContact C-N 3.26Å; N1105-H1107 PolarHBondContact O-N 2.76Å; N1105-H1107 WeakPolarHBondContact OD1-CB 3.48Å; H1107-A1111 WeakPolarHBondContact O-CB 3.13Å; H1107-A1111 PolarHBondContact O-N 2.88Å |
| 1108 | F | 98 | Very high | 96.2 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.009 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -68.5 | -50.1 | 173.5 | -178.7 | -82.5 | 0 | 0 | 0 | 111.3 | N1105 D1106 D1110 A1111 A1112 R1129 N1149 V1151 T1214 L1215 S1218 | N1105-F1108 HydrophobicContact CB-CB 4.19Å; N1105-F1108 WeakPolarHBondContact ND2-CB 3.31Å; N1105-F1108 WeakPolarHBondContact O-CB 3.31Å; N1105-F1108 PolarHBondContact O-N 3.47Å; N1105-F1108 VanDerWaalsContact O-N 3.1Å; N1105-F1108 PolarHBondContact OD1-N 2.99Å; N1105-F1108 VanDerWaalsContact OD1-N 3.15Å; D1106-F1108 PolarHBondContact O-N 3.27Å; F1108-D1110 VanDerWaalsContact C-N 3.34Å; F1108-D1110 PolarHBondContact O-N 2.92Å; F1108-A1111 PolarHBondContact O-N 2.9Å; F1108-A1112 HydrophobicContact CD1-CB 4.5Å; F1108-A1112 HydrophobicContact CE1-CB 4.26Å; F1108-A1112 VanDerWaalsContact O-CB 3.3Å; F1108-A1112 WeakPolarHBondContact O-CB 3.5Å; F1108-A1112 PolarHBondContact O-N 3.44Å; F1108-R1129 HydrophobicContact CD2-CB 4.17Å; F1108-R1129 VanDerWaalsContact CD2-O 3.32Å; F1108-R1129 WeakPolarHBondContact CD2-O 3.47Å; F1108-N1149 HydrophobicContact CD1-CB 3.87Å; F1108-N1149 HydrophobicContact CD2-CB 4.05Å; F1108-N1149 HydrophobicContact CE1-CB 4.02Å; F1108-N1149 HydrophobicContact CE2-CB 4.19Å; F1108-N1149 HydrophobicContact CG-CB 3.9Å; F1108-N1149 HydrophobicContact CZ-CB 4.18Å; F1108-V1151 HydrophobicContact CE1-CG2 4.12Å; F1108-T1214 HydrophobicContact CZ-CG2 4.02Å; F1108-L1215 HydrophobicContact CE1-CB 4.5Å; F1108-L1215 HydrophobicContact CE1-CD1 4.08Å; F1108-S1218 WeakPolarHBondContact CE2-OG 3.3Å |
| 1109 | R | 97.3 | Very high | 96.1 | Very high | 46 Ų | 46 | 26.2 Ų | 26.2 | 17% | 0.174 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -50.8 | -54.9 | 179.2 | -177.4 | -165.5 | 67.3 | -149.1 | -7.7 | 111.1 | N1105 D1106 R1113 L1150 V1151 | N1105-R1109 PolarHBondContact O-N 2.91Å; D1106-R1109 WeakPolarHBondContact O-CB 3.42Å; D1106-R1109 PolarHBondContact O-N 3.14Å; R1109-R1113 WeakPolarHBondContact O-CB 3.37Å; R1109-R1113 VanDerWaalsContact O-CG 3.27Å; R1109-R1113 WeakPolarHBondContact O-CG 3.41Å; R1109-R1113 PolarHBondContact O-N 3.23Å; R1109-R1113 VanDerWaalsContact O-N 3.1Å; R1109-L1150 VanDerWaalsContact CA-O 3.23Å; R1109-L1150 WeakPolarHBondContact CA-O 3.5Å; R1109-L1150 VanDerWaalsContact CB-O 3.29Å; R1109-L1150 WeakPolarHBondContact CB-O 3.31Å; R1109-V1151 WeakPolarHBondContact CG-O 3.33Å |
| 1110 | D | 96.6 | Very high | 96.2 | Very high | 33 Ų | 33 | 26.3 Ų | 26.3 | 18% | 0.176 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -70 | -40.8 | -173.6 | -68.8 | -5.2 | 0 | 0 | 0 | 111.1 | D1106 F1108 R1114 Y1185 | D1106-D1110 WeakPolarHBondContact O-CB 3.22Å; D1106-D1110 PolarHBondContact O-N 3.48Å; F1108-D1110 VanDerWaalsContact C-N 3.34Å; F1108-D1110 PolarHBondContact O-N 2.92Å; D1110-R1114 WeakPolarHBondContact O-CB 3.27Å; D1110-R1114 WeakPolarHBondContact O-CG 3.49Å; D1110-R1114 PolarHBondContact O-N 3.07Å; D1110-Y1185 HydrophobicContact CB-CD2 3.92Å; D1110-Y1185 HydrophobicContact CB-CE2 3.84Å |
| 1111 | A | 97 | Very high | 96.3 | Very high | 8 Ų | 8 | 24.2 Ų | 24.2 | 7% | 0.066 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.6 | -44.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | H1107 F1108 R1114 F1115 L1121 R1129 | H1107-A1111 WeakPolarHBondContact O-CB 3.13Å; H1107-A1111 PolarHBondContact O-N 2.88Å; F1108-A1111 PolarHBondContact O-N 2.9Å; A1111-R1114 PolarHBondContact O-N 3.33Å; A1111-F1115 VanDerWaalsContact O-CB 3.23Å; A1111-F1115 WeakPolarHBondContact O-CB 3.5Å; A1111-F1115 PolarHBondContact O-N 2.99Å; A1111-L1121 HydrophobicContact CB-CD2 3.62Å; A1111-R1129 HydrophobicContact CB-CB 4.14Å; A1111-R1129 HydrophobicContact CB-CG 3.54Å |
| 1112 | A | 97.1 | Very high | 96.3 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 3% | 0.025 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.6 | -47.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | F1108 W1116 V1151 L1211 T1214 | F1108-A1112 HydrophobicContact CD1-CB 4.5Å; F1108-A1112 HydrophobicContact CE1-CB 4.26Å; F1108-A1112 VanDerWaalsContact O-CB 3.3Å; F1108-A1112 WeakPolarHBondContact O-CB 3.5Å; F1108-A1112 PolarHBondContact O-N 3.44Å; A1112-W1116 PolarHBondContact O-N 3Å; A1112-V1151 HydrophobicContact CB-CG2 4.5Å; A1112-L1211 HydrophobicContact CB-CD2 4.28Å; A1112-T1214 HydrophobicContact CB-CG2 4.22Å |
| 1113 | R | 97 | Very high | 96.2 | Very high | 8 Ų | 8 | 25.7 Ų | 25.7 | 3% | 0.03 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.3 | -47.6 | 175.7 | -70.4 | 178.1 | -176.3 | -170.8 | 3.6 | 111.6 | R1109 F1115 W1116 L1117 V1151 C1162 N1184 | R1109-R1113 WeakPolarHBondContact O-CB 3.37Å; R1109-R1113 VanDerWaalsContact O-CG 3.27Å; R1109-R1113 WeakPolarHBondContact O-CG 3.41Å; R1109-R1113 PolarHBondContact O-N 3.23Å; R1109-R1113 VanDerWaalsContact O-N 3.1Å; R1113-F1115 PolarHBondContact O-N 3.2Å; R1113-W1116 PolarHBondContact O-N 2.91Å; R1113-L1117 HydrophobicContact CB-CD1 4.5Å; R1113-L1117 WeakPolarHBondContact O-CA 3.41Å; R1113-L1117 WeakPolarHBondContact O-CB 3.36Å; R1113-L1117 WeakPolarHBondContact O-CG 3.34Å; R1113-L1117 PolarHBondContact O-N 3.41Å; R1113-V1151 HydrophobicContact CG-CG1 4.27Å; R1113-V1151 PolarHBondContact NE-O 2.93Å; R1113-V1151 PolarHBondContact NH2-O 2.54Å; R1113-C1162 VanDerWaalsContact CZ-SG 3.57Å; R1113-N1184 WeakPolarHBondContact CD-O 3.24Å; R1113-N1184 PolarHBondContact NH1-O 2.78Å |
| 1114 | R | 96.9 | Very high | 96.1 | Very high | 74 Ų | 74 | 26.9 Ų | 26.9 | 28% | 0.279 | 13% | 0.133 | S | C | . | . | I | π-helix | trans | -63.9 | -42.2 | 179.9 | -77.7 | 179.6 | 70.6 | -176.4 | 5.9 | 113.5 | D1110 A1111 H1118 Y1119 D1120 L1121 Y1185 | D1110-R1114 WeakPolarHBondContact O-CB 3.27Å; D1110-R1114 WeakPolarHBondContact O-CG 3.49Å; D1110-R1114 PolarHBondContact O-N 3.07Å; A1111-R1114 PolarHBondContact O-N 3.33Å; R1114-H1118 CarbonylContact O-C 3.46Å; R1114-H1118 WeakPolarHBondContact O-CA 3.44Å; R1114-H1118 WeakPolarHBondContact O-CB 3.34Å; R1114-H1118 PolarHBondContact O-N 2.7Å; R1114-H1118 VanDerWaalsContact O-N 3.1Å; R1114-Y1119 PolarHBondContact O-N 3.34Å; R1114-D1120 WeakPolarHBondContact CB-OD1 3.44Å; R1114-D1120 IonicContact CZ-OD1 3.83Å; R1114-D1120 IonicContact CZ-OD2 3.82Å; R1114-D1120 IonicContact NE-OD1 3.29Å; R1114-D1120 PolarHBondContact NE-OD1 2.8Å; R1114-D1120 IonicContact NE-OD2 2.84Å; R1114-D1120 PolarHBondContact NE-OD2 3.13Å; R1114-D1120 IonicContact NH2-OD1 2.88Å; R1114-D1120 IonicContact NH2-OD2 3.94Å; R1114-D1120 PolarHBondContact NH2-OD2 3.13Å; R1114-L1121 HydrophobicContact CB-CB 4.39Å; R1114-L1121 HydrophobicContact CB-CD1 4.41Å; R1114-Y1185 HydrophobicContact CG-CD1 3.61Å; R1114-Y1185 HydrophobicContact CG-CD2 4.41Å; R1114-Y1185 HydrophobicContact CG-CE1 4Å; R1114-Y1185 HydrophobicContact CG-CG 3.85Å |
| 1115 | F | 96.5 | Very high | 96 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -61.2 | -46.7 | 178.5 | -177.1 | -98.7 | 0 | 0 | 0 | 112 | A1111 R1113 L1121 L1123 F1126 K1309 I1323 A1325 | A1111-F1115 VanDerWaalsContact O-CB 3.23Å; A1111-F1115 WeakPolarHBondContact O-CB 3.5Å; A1111-F1115 PolarHBondContact O-N 2.99Å; R1113-F1115 PolarHBondContact O-N 3.2Å; F1115-L1121 HydrophobicContact CB-CB 4.22Å; F1115-L1121 HydrophobicContact CB-CD2 4.33Å; F1115-L1121 HydrophobicContact CD2-CB 4.44Å; F1115-L1123 HydrophobicContact CE2-CD2 3.98Å; F1115-L1123 HydrophobicContact CZ-CD2 4.17Å; F1115-F1126 HydrophobicContact CB-CD2 3.67Å; F1115-F1126 HydrophobicContact CB-CE2 4.23Å; F1115-F1126 HydrophobicContact CB-CG 4.46Å; F1115-F1126 AromaticContact CD1-CD2 3.58Å; F1115-F1126 HydrophobicContact CD1-CD2 3.58Å; F1115-F1126 AromaticContact CD1-CE2 3.59Å; F1115-F1126 HydrophobicContact CD1-CE2 3.59Å; F1115-F1126 HydrophobicContact CD1-CG 4.12Å; F1115-F1126 HydrophobicContact CD1-CZ 4.15Å; F1115-F1126 HydrophobicContact CD2-CB 3.72Å; F1115-F1126 AromaticContact CD2-CD2 3.85Å; F1115-F1126 HydrophobicContact CD2-CD2 3.85Å; F1115-F1126 AromaticContact CD2-CG 3.82Å; F1115-F1126 HydrophobicContact CD2-CG 3.82Å; F1115-F1126 HydrophobicContact CE1-CD1 4.4Å; F1115-F1126 HydrophobicContact CE1-CD2 4.15Å; F1115-F1126 HydrophobicContact CE1-CE1 4.35Å; F1115-F1126 HydrophobicContact CE1-CE2 4.07Å; F1115-F1126 HydrophobicContact CE1-CG 4.3Å; F1115-F1126 HydrophobicContact CE1-CZ 4.18Å; F1115-F1126 HydrophobicContact CE2-CB 3.99Å; F1115-F1126 HydrophobicContact CE2-CD1 4.39Å; F1115-F1126 HydrophobicContact CE2-CD2 4.37Å; F1115-F1126 AromaticContact CE2-CG 4Å; F1115-F1126 HydrophobicContact CE2-CG 4Å; F1115-F1126 HydrophobicContact CG-CB 4.19Å; F1115-F1126 AromaticContact CG-CD2 3.41Å; F1115-F1126 HydrophobicContact CG-CD2 3.41Å; F1115-F1126 VanDerWaalsContact CG-CD2 3.41Å; F1115-F1126 AromaticContact CG-CE2 3.92Å; F1115-F1126 HydrophobicContact CG-CE2 3.92Å; F1115-F1126 AromaticContact CG-CG 3.88Å; F1115-F1126 HydrophobicContact CG-CG 3.88Å; F1115-F1126 HydrophobicContact CZ-CD1 4.28Å; F1115-F1126 HydrophobicContact CZ-CG 4.24Å; F1115-K1309 HydrophobicContact CD2-CD 4.34Å; F1115-K1309 HydrophobicContact CE2-CB 4.27Å; F1115-K1309 HydrophobicContact CE2-CD 3.76Å; F1115-K1309 HydrophobicContact CE2-CG 4.42Å; F1115-K1309 HydrophobicContact CZ-CB 4.22Å; F1115-I1323 HydrophobicContact CE1-CG2 4.2Å; F1115-I1323 HydrophobicContact CZ-CG2 4.45Å; F1115-A1325 HydrophobicContact CD1-CB 4.22Å; F1115-A1325 HydrophobicContact CE1-CB 3.45Å; F1115-A1325 VanDerWaalsContact CE1-CB 3.45Å; F1115-A1325 HydrophobicContact CZ-CB 3.75Å |
| 1116 | W | 95.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -88 | -32.7 | -174.8 | -74 | 113 | 0 | 0 | 0 | 114.8 | A1112 R1113 Y1119 A1210 L1211 T1214 I1323 A1325 H1362 L1364 | A1112-W1116 PolarHBondContact O-N 3Å; R1113-W1116 PolarHBondContact O-N 2.91Å; W1116-Y1119 WeakPolarHBondContact O-CE1 3.47Å; W1116-Y1119 PolarHBondContact O-OH 2.95Å; W1116-A1210 HydrophobicContact CD2-CB 3.57Å; W1116-A1210 HydrophobicContact CE3-CB 3.65Å; W1116-A1210 HydrophobicContact CG-CB 4.15Å; W1116-A1210 HydrophobicContact CH2-CB 3.85Å; W1116-A1210 HydrophobicContact CZ2-CB 3.83Å; W1116-A1210 HydrophobicContact CZ3-CB 3.77Å; W1116-L1211 HydrophobicContact CB-CD2 4.29Å; W1116-T1214 PolarHBondContact NE1-OG1 2.93Å; W1116-I1323 HydrophobicContact CH2-CG2 3.67Å; W1116-I1323 HydrophobicContact CZ2-CG2 3.83Å; W1116-A1325 HydrophobicContact CD2-CB 4.5Å; W1116-A1325 HydrophobicContact CE3-CB 3.83Å; W1116-A1325 HydrophobicContact CH2-CB 4.08Å; W1116-A1325 HydrophobicContact CZ3-CB 3.61Å; W1116-H1362 AromaticContact CE3-CD2 3.79Å; W1116-H1362 PolarHBondContact O-NE2 3.25Å; W1116-L1364 HydrophobicContact CH2-CB 4.4Å; W1116-L1364 HydrophobicContact CH2-CD2 3.99Å; W1116-L1364 HydrophobicContact CZ2-CD2 3.77Å |
| 1117 | L | 95.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -104.6 | -29.5 | -171.8 | -55.4 | 180 | 0 | 0 | 0 | 113.5 | R1113 Y1119 V1163 Y1185 N1187 L1211 | R1113-L1117 HydrophobicContact CB-CD1 4.5Å; R1113-L1117 WeakPolarHBondContact O-CA 3.41Å; R1113-L1117 WeakPolarHBondContact O-CB 3.36Å; R1113-L1117 WeakPolarHBondContact O-CG 3.34Å; R1113-L1117 PolarHBondContact O-N 3.41Å; L1117-Y1119 WeakPolarHBondContact O-CE2 3.22Å; L1117-V1163 HydrophobicContact CD2-CG1 4.12Å; L1117-Y1185 WeakPolarHBondContact CD1-O 3.47Å; L1117-N1187 HydrophobicContact CB-CB 3.89Å; L1117-N1187 HydrophobicContact CD2-CB 4.5Å; L1117-N1187 PolarHBondContact O-ND2 2.85Å; L1117-L1211 HydrophobicContact CD1-CD1 4.25Å; L1117-L1211 HydrophobicContact CD2-CD1 4.46Å; L1117-L1211 HydrophobicContact CG-CD1 4.47Å |
| 1118 | H | 94.5 | Very high | 95.9 | Very high | 79 Ų | 79 | 26.2 Ų | 26.2 | 37% | 0.366 | 14% | 0.143 | S | C | . | . | I | π-helix | trans | -111 | -17.8 | -176.3 | -73.3 | -102.9 | 0 | 0 | 0 | 114.2 | R1114 D1120 Y1185 S1186 | R1114-H1118 CarbonylContact O-C 3.46Å; R1114-H1118 WeakPolarHBondContact O-CA 3.44Å; R1114-H1118 WeakPolarHBondContact O-CB 3.34Å; R1114-H1118 PolarHBondContact O-N 2.7Å; R1114-H1118 VanDerWaalsContact O-N 3.1Å; H1118-D1120 PolarHBondContact O-N 3.11Å; H1118-Y1185 VanDerWaalsContact NE2-C 3.27Å; H1118-Y1185 PolarHBondContact NE2-O 2.81Å; H1118-S1186 PolarHBondContact NE2-O 3.07Å |
| 1119 | Y | 91.7 | Very high | 95.9 | Very high | 72 Ų | 72 | 28 Ų | 28 | 28% | 0.282 | 15% | 0.15 | S | C | . | . | trans | 63.5 | 16 | 178.2 | -42.2 | -69.9 | 0 | 0 | 0 | 115.1 | R1114 W1116 L1117 H1362 | R1114-Y1119 PolarHBondContact O-N 3.34Å; W1116-Y1119 WeakPolarHBondContact O-CE1 3.47Å; W1116-Y1119 PolarHBondContact O-OH 2.95Å; L1117-Y1119 WeakPolarHBondContact O-CE2 3.22Å; Y1119-H1362 AromaticContact CE1-CE1 3.05Å; Y1119-H1362 WeakPolarHBondContact CE1-CE1 3.06Å; Y1119-H1362 AromaticContact CE1-NE2 3.28Å; Y1119-H1362 VanDerWaalsContact CE1-NE2 3.28Å; Y1119-H1362 WeakPolarHBondContact CE1-NE2 3.24Å; Y1119-H1362 AromaticContact CZ-CE1 3.27Å; Y1119-H1362 AromaticContact CZ-NE2 3.59Å; Y1119-H1362 PolarHBondContact OH-CE1 3.21Å; Y1119-H1362 PolarHBondContact OH-NE2 2.68Å; Y1119-H1362 VanDerWaalsContact OH-NE2 3.08Å | ||
| 1120 | D | 93.1 | Very high | 95.9 | Very high | 79 Ų | 79 | 26 Ų | 26 | 42% | 0.422 | 14% | 0.143 | S | C | . | . | trans | -105.1 | 5.4 | -169.2 | 76.3 | -22.5 | 0 | 0 | 0 | 113.9 | R1114 H1118 | R1114-D1120 WeakPolarHBondContact CB-OD1 3.44Å; R1114-D1120 IonicContact CZ-OD1 3.83Å; R1114-D1120 IonicContact CZ-OD2 3.82Å; R1114-D1120 IonicContact NE-OD1 3.29Å; R1114-D1120 PolarHBondContact NE-OD1 2.8Å; R1114-D1120 IonicContact NE-OD2 2.84Å; R1114-D1120 PolarHBondContact NE-OD2 3.13Å; R1114-D1120 IonicContact NH2-OD1 2.88Å; R1114-D1120 IonicContact NH2-OD2 3.94Å; R1114-D1120 PolarHBondContact NH2-OD2 3.13Å; H1118-D1120 PolarHBondContact O-N 3.11Å | ||
| 1121 | L | 94.6 | Very high | 95.9 | Very high | 14 Ų | 14 | 25.1 Ų | 25.1 | 7% | 0.073 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -102.5 | 127.6 | -177.9 | -154.6 | 87.7 | 0 | 0 | 0 | 112.9 | A1111 R1114 F1115 A1125 F1126 K1309 | A1111-L1121 HydrophobicContact CB-CD2 3.62Å; R1114-L1121 HydrophobicContact CB-CB 4.39Å; R1114-L1121 HydrophobicContact CB-CD1 4.41Å; F1115-L1121 HydrophobicContact CB-CB 4.22Å; F1115-L1121 HydrophobicContact CB-CD2 4.33Å; F1115-L1121 HydrophobicContact CD2-CB 4.44Å; L1121-A1125 HydrophobicContact CD1-CB 4.35Å; L1121-A1125 HydrophobicContact CD2-CB 3.96Å; L1121-A1125 HydrophobicContact CG-CB 3.9Å; L1121-F1126 HydrophobicContact CD2-CB 4.1Å; L1121-K1309 WeakPolarHBondContact O-CE 3.46Å; L1121-K1309 PolarHBondContact O-NZ 2.73Å |
| 1122 | P | 95.6 | Very high | 95.8 | Very high | 36 Ų | 36 | 24.7 Ų | 24.7 | 23% | 0.234 | 14% | 0.136 | C | C | . | . | trans | -57 | 153.7 | 172.9 | -24.7 | 34.2 | 0 | 0 | 0 | 114 | G1124 A1125 F1126 K1309 | P1122-G1124 VanDerWaalsContact C-N 3.28Å; P1122-G1124 PolarHBondContact O-N 3.29Å; P1122-A1125 HydrophobicContact CB-CB 4.39Å; P1122-A1125 PolarHBondContact O-N 3.5Å; P1122-F1126 PolarHBondContact O-N 3.37Å; P1122-F1126 VanDerWaalsContact O-N 3.1Å; P1122-K1309 VanDerWaalsContact CA-NZ 3.33Å | ||
| 1123 | L | 96.5 | Very high | 95.9 | Very high | 3 Ų | 3 | 24.6 Ų | 24.6 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.6 | -39.1 | 177.2 | -78.7 | 176.4 | 0 | 0 | 0 | 111.8 | F1115 F1126 A1127 L1299 W1304 P1308 L1311 | F1115-L1123 HydrophobicContact CE2-CD2 3.98Å; F1115-L1123 HydrophobicContact CZ-CD2 4.17Å; L1123-F1126 PolarHBondContact O-N 2.64Å; L1123-A1127 WeakPolarHBondContact O-CB 3.34Å; L1123-A1127 PolarHBondContact O-N 3.19Å; L1123-L1299 HydrophobicContact CD1-CD2 3.67Å; L1123-W1304 HydrophobicContact CB-CE3 4.01Å; L1123-W1304 HydrophobicContact CB-CZ3 4.39Å; L1123-W1304 PolarHBondContact N-O 2.91Å; L1123-P1308 WeakPolarHBondContact CD1-O 3.33Å; L1123-L1311 HydrophobicContact CD2-CB 3.97Å; L1123-L1311 HydrophobicContact CD2-CD2 4.47Å |
| 1124 | G | 95.2 | Very high | 95.8 | Very high | 24 Ų | 24 | 26.3 Ų | 26.3 | 25% | 0.247 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.1 | -40.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | P1122 A1127 G1128 W1304 | P1122-G1124 VanDerWaalsContact C-N 3.28Å; P1122-G1124 PolarHBondContact O-N 3.29Å; G1124-A1127 PolarHBondContact O-N 3.35Å; G1124-G1128 PolarHBondContact O-N 3.12Å; G1124-W1304 VanDerWaalsContact CA-CE3 3.41Å; G1124-W1304 PolarHBondContact N-O 2.8Å |
| 1125 | A | 95.7 | Very high | 95.7 | Very high | 38 Ų | 38 | 27.9 Ų | 27.9 | 31% | 0.314 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -65.1 | -44.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1121 P1122 G1128 R1129 | L1121-A1125 HydrophobicContact CD1-CB 4.35Å; L1121-A1125 HydrophobicContact CD2-CB 3.96Å; L1121-A1125 HydrophobicContact CG-CB 3.9Å; P1122-A1125 HydrophobicContact CB-CB 4.39Å; P1122-A1125 PolarHBondContact O-N 3.5Å; A1125-G1128 PolarHBondContact O-N 3.2Å; A1125-R1129 WeakPolarHBondContact O-CG 3.44Å; A1125-R1129 PolarHBondContact O-N 3.46Å |
| 1126 | F | 96.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 1% | 0.013 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.6 | -48 | 174.9 | 177.7 | -100 | 0 | 0 | 0 | 112 | F1115 L1121 P1122 L1123 G1128 R1129 F1130 T1214 L1311 I1323 | F1115-F1126 HydrophobicContact CB-CD2 3.67Å; F1115-F1126 HydrophobicContact CB-CE2 4.23Å; F1115-F1126 HydrophobicContact CB-CG 4.46Å; F1115-F1126 AromaticContact CD1-CD2 3.58Å; F1115-F1126 HydrophobicContact CD1-CD2 3.58Å; F1115-F1126 AromaticContact CD1-CE2 3.59Å; F1115-F1126 HydrophobicContact CD1-CE2 3.59Å; F1115-F1126 HydrophobicContact CD1-CG 4.12Å; F1115-F1126 HydrophobicContact CD1-CZ 4.15Å; F1115-F1126 HydrophobicContact CD2-CB 3.72Å; F1115-F1126 AromaticContact CD2-CD2 3.85Å; F1115-F1126 HydrophobicContact CD2-CD2 3.85Å; F1115-F1126 AromaticContact CD2-CG 3.82Å; F1115-F1126 HydrophobicContact CD2-CG 3.82Å; F1115-F1126 HydrophobicContact CE1-CD1 4.4Å; F1115-F1126 HydrophobicContact CE1-CD2 4.15Å; F1115-F1126 HydrophobicContact CE1-CE1 4.35Å; F1115-F1126 HydrophobicContact CE1-CE2 4.07Å; F1115-F1126 HydrophobicContact CE1-CG 4.3Å; F1115-F1126 HydrophobicContact CE1-CZ 4.18Å; F1115-F1126 HydrophobicContact CE2-CB 3.99Å; F1115-F1126 HydrophobicContact CE2-CD1 4.39Å; F1115-F1126 HydrophobicContact CE2-CD2 4.37Å; F1115-F1126 AromaticContact CE2-CG 4Å; F1115-F1126 HydrophobicContact CE2-CG 4Å; F1115-F1126 HydrophobicContact CG-CB 4.19Å; F1115-F1126 AromaticContact CG-CD2 3.41Å; F1115-F1126 HydrophobicContact CG-CD2 3.41Å; F1115-F1126 VanDerWaalsContact CG-CD2 3.41Å; F1115-F1126 AromaticContact CG-CE2 3.92Å; F1115-F1126 HydrophobicContact CG-CE2 3.92Å; F1115-F1126 AromaticContact CG-CG 3.88Å; F1115-F1126 HydrophobicContact CG-CG 3.88Å; F1115-F1126 HydrophobicContact CZ-CD1 4.28Å; F1115-F1126 HydrophobicContact CZ-CG 4.24Å; L1121-F1126 HydrophobicContact CD2-CB 4.1Å; P1122-F1126 PolarHBondContact O-N 3.37Å; P1122-F1126 VanDerWaalsContact O-N 3.1Å; L1123-F1126 PolarHBondContact O-N 2.64Å; F1126-G1128 PolarHBondContact O-N 3.45Å; F1126-R1129 PolarHBondContact O-N 3.48Å; F1126-F1130 HydrophobicContact CE1-CD2 4.13Å; F1126-F1130 HydrophobicContact CZ-CD2 4.05Å; F1126-F1130 WeakPolarHBondContact O-CB 3.19Å; F1126-F1130 PolarHBondContact O-N 2.93Å; F1126-T1214 HydrophobicContact CE2-CG2 3.72Å; F1126-T1214 HydrophobicContact CZ-CG2 3.78Å; F1126-L1311 HydrophobicContact CD1-CD2 4.12Å; F1126-L1311 HydrophobicContact CE1-CD2 4.24Å; F1126-I1323 HydrophobicContact CE1-CD1 4Å; F1126-I1323 HydrophobicContact CZ-CD1 4.38Å |
| 1127 | A | 96.2 | Very high | 95.7 | Very high | 5 Ų | 5 | 29.1 Ų | 29.1 | 4% | 0.041 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.3 | -40.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1123 G1124 R1129 F1130 A1131 W1291 W1304 | L1123-A1127 WeakPolarHBondContact O-CB 3.34Å; L1123-A1127 PolarHBondContact O-N 3.19Å; G1124-A1127 PolarHBondContact O-N 3.35Å; A1127-R1129 VanDerWaalsContact C-N 3.31Å; A1127-R1129 PolarHBondContact O-N 3.46Å; A1127-F1130 PolarHBondContact O-N 2.61Å; A1127-A1131 WeakPolarHBondContact O-CB 3.37Å; A1127-A1131 PolarHBondContact O-N 3.17Å; A1127-W1291 HydrophobicContact CB-CD2 4.18Å; A1127-W1291 HydrophobicContact CB-CE3 3.79Å; A1127-W1291 HydrophobicContact CB-CH2 3.73Å; A1127-W1291 HydrophobicContact CB-CZ2 4.1Å; A1127-W1291 HydrophobicContact CB-CZ3 3.54Å; A1127-W1304 HydrophobicContact CB-CH2 3.85Å; A1127-W1304 HydrophobicContact CB-CZ3 3.54Å |
| 1128 | G | 96.1 | Very high | 95.7 | Very high | 23 Ų | 23 | 33.2 Ų | 33.2 | 24% | 0.237 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.3 | -39 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | G1124 A1125 F1126 A1131 S1133 | G1124-G1128 PolarHBondContact O-N 3.12Å; A1125-G1128 PolarHBondContact O-N 3.2Å; F1126-G1128 PolarHBondContact O-N 3.45Å; G1128-A1131 CarbonylContact O-C 3.56Å; G1128-A1131 PolarHBondContact O-N 3.15Å; G1128-S1133 WeakPolarHBondContact O-CA 3.41Å; G1128-S1133 PolarHBondContact O-N 2.59Å; G1128-S1133 VanDerWaalsContact O-N 3.09Å |
| 1129 | R | 97.2 | Very high | 95.6 | Very high | 40 Ų | 40 | 32.7 Ų | 32.7 | 15% | 0.151 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -73.1 | -42.1 | 175 | -55.4 | -55.6 | 157.1 | -147.8 | -13 | 112.1 | F1108 A1111 A1125 F1126 A1127 A1131 A1132 S1133 D1135 | F1108-R1129 HydrophobicContact CD2-CB 4.17Å; F1108-R1129 VanDerWaalsContact CD2-O 3.32Å; F1108-R1129 WeakPolarHBondContact CD2-O 3.47Å; A1111-R1129 HydrophobicContact CB-CB 4.14Å; A1111-R1129 HydrophobicContact CB-CG 3.54Å; A1125-R1129 WeakPolarHBondContact O-CG 3.44Å; A1125-R1129 PolarHBondContact O-N 3.46Å; F1126-R1129 PolarHBondContact O-N 3.48Å; A1127-R1129 VanDerWaalsContact C-N 3.31Å; A1127-R1129 PolarHBondContact O-N 3.46Å; R1129-A1131 PolarHBondContact O-N 3.29Å; R1129-A1132 PolarHBondContact O-N 3.23Å; R1129-A1132 VanDerWaalsContact O-N 3.12Å; R1129-S1133 WeakPolarHBondContact CD-OG 3.49Å; R1129-S1133 VanDerWaalsContact NH1-CB 3.27Å; R1129-S1133 PolarHBondContact NH1-OG 3.42Å; R1129-S1133 VanDerWaalsContact NH1-OG 3.09Å; R1129-D1135 IonicContact CZ-OD1 3.61Å; R1129-D1135 IonicContact CZ-OD2 2.73Å; R1129-D1135 IonicContact NH1-OD1 2.98Å; R1129-D1135 PolarHBondContact NH1-OD1 3.34Å; R1129-D1135 IonicContact NH1-OD2 3.65Å; R1129-D1135 PolarHBondContact NH1-OD2 3.42Å; R1129-D1135 IonicContact NH2-OD1 2.74Å; R1129-D1135 PolarHBondContact NH2-OD1 3.2Å; R1129-D1135 IonicContact NH2-OD2 3.07Å; R1129-D1135 PolarHBondContact NH2-OD2 3.09Å |
| 1130 | F | 97.2 | Very high | 95.3 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.018 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.4 | -30.6 | 173.7 | -164 | -79.6 | 0 | 0 | 0 | 112.4 | F1126 A1127 A1132 T1214 L1217 S1218 Q1219 W1282 W1291 I1313 I1321 | F1126-F1130 HydrophobicContact CE1-CD2 4.13Å; F1126-F1130 HydrophobicContact CZ-CD2 4.05Å; F1126-F1130 WeakPolarHBondContact O-CB 3.19Å; F1126-F1130 PolarHBondContact O-N 2.93Å; A1127-F1130 PolarHBondContact O-N 2.61Å; F1130-A1132 VanDerWaalsContact C-N 3.32Å; F1130-A1132 PolarHBondContact O-N 2.97Å; F1130-T1214 HydrophobicContact CD2-CG2 4.11Å; F1130-T1214 HydrophobicContact CE2-CG2 4.41Å; F1130-L1217 VanDerWaalsContact CE1-O 3.24Å; F1130-L1217 WeakPolarHBondContact CE1-O 3.45Å; F1130-L1217 HydrophobicContact CZ-CB 4.46Å; F1130-L1217 WeakPolarHBondContact CZ-O 3.2Å; F1130-S1218 WeakPolarHBondContact O-CB 3.35Å; F1130-Q1219 PolarHBondContact O-N 3.24Å; F1130-W1282 HydrophobicContact CD1-CH2 4.29Å; F1130-W1282 HydrophobicContact CD1-CZ3 4.34Å; F1130-W1282 HydrophobicContact CE1-CH2 4.3Å; F1130-W1291 HydrophobicContact CB-CH2 4.11Å; F1130-W1291 AromaticContact CD1-CH2 3.89Å; F1130-W1291 HydrophobicContact CD1-CH2 3.89Å; F1130-W1291 HydrophobicContact CD1-CZ3 4.49Å; F1130-W1291 HydrophobicContact CG-CH2 4.28Å; F1130-I1313 HydrophobicContact CD1-CD1 4.03Å; F1130-I1313 HydrophobicContact CD2-CD1 4.17Å; F1130-I1313 HydrophobicContact CE1-CD1 3.85Å; F1130-I1313 HydrophobicContact CE1-CG2 4.37Å; F1130-I1313 HydrophobicContact CE2-CD1 4Å; F1130-I1313 HydrophobicContact CG-CD1 4.19Å; F1130-I1313 HydrophobicContact CZ-CD1 3.83Å; F1130-I1321 HydrophobicContact CE1-CD1 4.5Å; F1130-I1321 HydrophobicContact CZ-CD1 3.79Å |
| 1131 | A | 96.5 | Very high | 94.9 | Very high | 13 Ų | 13 | 34.1 Ų | 34.1 | 11% | 0.107 | 21% | 0.213 | C | C | . | . | B | Isolated β-bridge | trans | -91.9 | 48.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1127 G1128 R1129 S1133 S1134 Q1219 W1282 W1291 | A1127-A1131 WeakPolarHBondContact O-CB 3.37Å; A1127-A1131 PolarHBondContact O-N 3.17Å; G1128-A1131 CarbonylContact O-C 3.56Å; G1128-A1131 PolarHBondContact O-N 3.15Å; R1129-A1131 PolarHBondContact O-N 3.29Å; A1131-S1133 VanDerWaalsContact C-N 3.26Å; A1131-S1133 PolarHBondContact O-N 2.88Å; A1131-S1133 VanDerWaalsContact O-N 3.13Å; A1131-S1134 PolarHBondContact O-N 3.16Å; A1131-Q1219 PolarHBondContact O-OE1 2.83Å; A1131-W1282 HydrophobicContact CB-CE3 3.82Å; A1131-W1282 HydrophobicContact CB-CZ3 3.9Å; A1131-W1291 HydrophobicContact CB-CZ2 4.32Å |
| 1132 | A | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 29.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | R1129 F1130 S1134 P1144 A1147 Q1219 W1281 | R1129-A1132 PolarHBondContact O-N 3.23Å; R1129-A1132 VanDerWaalsContact O-N 3.12Å; F1130-A1132 VanDerWaalsContact C-N 3.32Å; F1130-A1132 PolarHBondContact O-N 2.97Å; A1132-S1134 VanDerWaalsContact C-N 3.27Å; A1132-S1134 PolarHBondContact O-N 2.93Å; A1132-P1144 HydrophobicContact CB-CB 3.92Å; A1132-A1147 HydrophobicContact CB-CB 4.25Å; A1132-Q1219 WeakPolarHBondContact CA-O 3.48Å; A1132-Q1219 HydrophobicContact CB-CB 3.95Å; A1132-Q1219 HydrophobicContact CB-CG 3.97Å; A1132-Q1219 VanDerWaalsContact CB-O 3.31Å; A1132-Q1219 WeakPolarHBondContact CB-O 3.43Å; A1132-Q1219 PolarHBondContact N-O 2.82Å; A1132-W1281 HydrophobicContact CB-CH2 4.15Å; A1132-W1281 HydrophobicContact CB-CZ3 3.74Å |
| 1133 | S | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 46.5 | 180 | -70.3 | 0 | 0 | 0 | 0 | 112.2 | N1105 G1128 R1129 A1131 D1135 V1136 F1137 | N1105-S1133 PolarHBondContact ND2-OG 3.03Å; N1105-S1133 PolarHBondContact OD1-OG 3.28Å; N1105-S1133 VanDerWaalsContact OD1-OG 3.09Å; G1128-S1133 WeakPolarHBondContact O-CA 3.41Å; G1128-S1133 PolarHBondContact O-N 2.59Å; G1128-S1133 VanDerWaalsContact O-N 3.09Å; R1129-S1133 WeakPolarHBondContact CD-OG 3.49Å; R1129-S1133 VanDerWaalsContact NH1-CB 3.27Å; R1129-S1133 PolarHBondContact NH1-OG 3.42Å; R1129-S1133 VanDerWaalsContact NH1-OG 3.09Å; A1131-S1133 VanDerWaalsContact C-N 3.26Å; A1131-S1133 PolarHBondContact O-N 2.88Å; A1131-S1133 VanDerWaalsContact O-N 3.13Å; S1133-D1135 PolarHBondContact O-N 3.35Å; S1133-D1135 VanDerWaalsContact O-N 3.07Å; S1133-V1136 WeakPolarHBondContact O-CA 3.44Å; S1133-V1136 WeakPolarHBondContact O-CB 3.15Å; S1133-V1136 PolarHBondContact O-N 3.27Å; S1133-F1137 PolarHBondContact O-N 3.47Å |
| 1134 | S | 95.1 | Very high | 94.9 | Very high | 44 Ų | 44 | 36.2 Ų | 36.2 | 31% | 0.308 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -55.1 | -28.8 | -174.5 | 61 | 0 | 0 | 0 | 0 | 114.5 | A1131 A1132 V1136 K1138 W1281 | A1131-S1134 PolarHBondContact O-N 3.16Å; A1132-S1134 VanDerWaalsContact C-N 3.27Å; A1132-S1134 PolarHBondContact O-N 2.93Å; S1134-V1136 PolarHBondContact O-N 2.79Å; S1134-K1138 WeakPolarHBondContact O-CA 3.47Å; S1134-K1138 WeakPolarHBondContact O-CB 3.46Å; S1134-K1138 PolarHBondContact O-N 3Å; S1134-W1281 VanDerWaalsContact CB-CZ3 3.45Å |
| 1135 | D | 95.1 | Very high | 94.9 | Very high | 107 Ų | 107 | 35.6 Ų | 35.6 | 57% | 0.572 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -63.8 | -20.3 | 173.8 | 62 | -48.4 | 0 | 0 | 0 | 113.9 | R1129 S1133 | R1129-D1135 IonicContact CZ-OD1 3.61Å; R1129-D1135 IonicContact CZ-OD2 2.73Å; R1129-D1135 IonicContact NH1-OD1 2.98Å; R1129-D1135 PolarHBondContact NH1-OD1 3.34Å; R1129-D1135 IonicContact NH1-OD2 3.65Å; R1129-D1135 PolarHBondContact NH1-OD2 3.42Å; R1129-D1135 IonicContact NH2-OD1 2.74Å; R1129-D1135 PolarHBondContact NH2-OD1 3.2Å; R1129-D1135 IonicContact NH2-OD2 3.07Å; R1129-D1135 PolarHBondContact NH2-OD2 3.09Å; S1133-D1135 PolarHBondContact O-N 3.35Å; S1133-D1135 VanDerWaalsContact O-N 3.07Å |
| 1136 | V | 95.9 | Very high | 95 | Very high | 27 Ų | 27 | 34.1 Ų | 34.1 | 16% | 0.164 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -101.2 | -45.3 | 178.4 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | V1094 S1133 S1134 | V1094-V1136 HydrophobicContact CG1-CG1 4.07Å; S1133-V1136 WeakPolarHBondContact O-CA 3.44Å; S1133-V1136 WeakPolarHBondContact O-CB 3.15Å; S1133-V1136 PolarHBondContact O-N 3.27Å; S1134-V1136 PolarHBondContact O-N 2.79Å |
| 1137 | F | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -102.7 | -19 | -169 | -65.2 | -73.5 | 0 | 0 | 0 | 115.6 | V1094 E1103 N1105 S1133 R1139 A1146 A1147 W1281 | V1094-F1137 HydrophobicContact CG1-CE1 4.46Å; V1094-F1137 HydrophobicContact CG1-CZ 3.79Å; E1103-F1137 HydrophobicContact CB-CE1 3.82Å; E1103-F1137 HydrophobicContact CB-CZ 4.22Å; E1103-F1137 HydrophobicContact CG-CE1 4.23Å; N1105-F1137 HydrophobicContact CB-CE2 4.16Å; N1105-F1137 HydrophobicContact CB-CZ 4.4Å; S1133-F1137 PolarHBondContact O-N 3.47Å; F1137-R1139 VanDerWaalsContact C-N 3.26Å; F1137-R1139 PolarHBondContact O-N 3.41Å; F1137-A1146 HydrophobicContact CB-CB 4.23Å; F1137-A1146 HydrophobicContact CD1-CB 4.1Å; F1137-A1146 HydrophobicContact CG-CB 4.4Å; F1137-A1147 HydrophobicContact CD2-CB 3.68Å; F1137-A1147 HydrophobicContact CE2-CB 3.78Å; F1137-A1147 HydrophobicContact CG-CB 4.27Å; F1137-A1147 HydrophobicContact CZ-CB 4.46Å; F1137-W1281 HydrophobicContact CB-CH2 3.98Å; F1137-W1281 HydrophobicContact CB-CZ2 4.23Å |
| 1138 | K | 95.1 | Very high | 95.2 | Very high | 87 Ų | 87 | 33.7 Ų | 33.7 | 38% | 0.378 | 20% | 0.198 | S | C | . | . | trans | -79.7 | 73.1 | -177.8 | -170 | -179.9 | -179.8 | -175.4 | 0 | 111 | S1134 W1281 E1283 | S1134-K1138 WeakPolarHBondContact O-CA 3.47Å; S1134-K1138 WeakPolarHBondContact O-CB 3.46Å; S1134-K1138 PolarHBondContact O-N 3Å; K1138-W1281 HydrophobicContact CB-CD2 4.06Å; K1138-W1281 HydrophobicContact CB-CE3 4.41Å; K1138-W1281 HydrophobicContact CB-CH2 4.16Å; K1138-W1281 HydrophobicContact CB-CZ2 3.79Å; K1138-W1281 HydrophobicContact CB-CZ3 4.45Å; K1138-W1281 HydrophobicContact CD-CB 4.23Å; K1138-W1281 HydrophobicContact CD-CD2 3.93Å; K1138-W1281 HydrophobicContact CD-CE3 4.38Å; K1138-W1281 HydrophobicContact CD-CG 3.84Å; K1138-W1281 HydrophobicContact CG-CD2 3.86Å; K1138-W1281 HydrophobicContact CG-CG 3.93Å; K1138-W1281 HydrophobicContact CG-CZ2 4.31Å; K1138-E1283 WeakPolarHBondContact CE-OE1 3.49Å; K1138-E1283 IonicContact NZ-OE1 3.07Å; K1138-E1283 PolarHBondContact NZ-OE1 3.05Å; K1138-E1283 IonicContact NZ-OE2 3.39Å; K1138-E1283 PolarHBondContact NZ-OE2 3.3Å | ||
| 1139 | R | 92.5 | Very high | 95.3 | Very high | 68 Ų | 68 | 32.6 Ų | 32.6 | 26% | 0.257 | 19% | 0.186 | S | C | . | . | trans | -145.5 | 158.7 | 176.3 | 66.1 | -176.7 | -167.4 | 92.5 | 12.9 | 111.1 | Q1061 G1095 F1097 F1137 G1141 R1142 | Q1061-R1139 VanDerWaalsContact NE2-NH2 3.11Å; G1095-R1139 PolarHBondContact O-NE 2.97Å; G1095-R1139 PolarHBondContact O-NH2 3.01Å; F1097-R1139 PolarHBondContact O-NH2 2.84Å; F1137-R1139 VanDerWaalsContact C-N 3.26Å; F1137-R1139 PolarHBondContact O-N 3.41Å; R1139-G1141 PolarHBondContact O-N 3.25Å; R1139-G1141 VanDerWaalsContact O-N 3.09Å; R1139-R1142 WeakPolarHBondContact O-CB 3.4Å; R1139-R1142 WeakPolarHBondContact O-CG 3.18Å; R1139-R1142 PolarHBondContact O-N 2.97Å | ||
| 1140 | N | 84.8 | Confident | 95.3 | Very high | 107 Ų | 107 | 30.9 Ų | 30.9 | 57% | 0.572 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 38.5 | 170.9 | -58.4 | -9.3 | 0 | 0 | 0 | 114.6 | R1142 | N1140-R1142 PolarHBondContact O-N 3.21Š|
| 1141 | G | 85.7 | Confident | 95.3 | Very high | 74 Ų | 74 | 30.8 Ų | 30.8 | 76% | 0.763 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 3.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | R1139 | R1139-G1141 PolarHBondContact O-N 3.25Å; R1139-G1141 VanDerWaalsContact O-N 3.09Å |
| 1142 | R | 93.8 | Very high | 95.4 | Very high | 10 Ų | 10 | 30.2 Ų | 30.2 | 4% | 0.038 | 18% | 0.175 | C | C | . | . | trans | -63.7 | 145.7 | 177.3 | -65.6 | -179.1 | 79.8 | -177 | -11.4 | 111.1 | G1095 F1097 P1099 F1101 E1103 R1139 N1140 A1146 W1281 | G1095-R1142 PolarHBondContact O-NH1 3.47Å; F1097-R1142 PolarHBondContact O-NH1 3.1Å; P1099-R1142 HydrophobicContact CB-CG 4Å; F1101-R1142 PolarHBondContact O-NH2 2.92Å; E1103-R1142 IonicContact OE1-CZ 2.67Å; E1103-R1142 IonicContact OE1-NH1 3.39Å; E1103-R1142 PolarHBondContact OE1-NH1 3.05Å; E1103-R1142 IonicContact OE1-NH2 3.54Å; E1103-R1142 PolarHBondContact OE1-NH2 3.42Å; R1139-R1142 WeakPolarHBondContact O-CB 3.4Å; R1139-R1142 WeakPolarHBondContact O-CG 3.18Å; R1139-R1142 PolarHBondContact O-N 2.97Å; N1140-R1142 PolarHBondContact O-N 3.21Å; R1142-A1146 HydrophobicContact CB-CB 4.26Å; R1142-W1281 PolarHBondContact O-NE1 3.37Å | ||
| 1143 | L | 95.6 | Very high | 95.3 | Very high | 84 Ų | 84 | 30.5 Ų | 30.5 | 44% | 0.44 | 18% | 0.177 | S | C | . | . | trans | -96.9 | 165.5 | 179.4 | -61.6 | 178.9 | 0 | 0 | 0 | 110.9 | S1145 A1146 N1279 | L1143-S1145 PolarHBondContact O-N 2.74Å; L1143-S1145 VanDerWaalsContact O-N 3.1Å; L1143-A1146 WeakPolarHBondContact O-CB 3.43Å; L1143-A1146 PolarHBondContact O-N 3.35Å; L1143-N1279 WeakPolarHBondContact CD1-ND2 3.5Å | ||
| 1144 | P | 96.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.013 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -56.7 | -28.1 | -179.9 | -21.6 | 28.4 | 0 | 0 | 0 | 114.5 | A1132 A1146 A1147 Q1219 N1279 R1280 W1281 | A1132-P1144 HydrophobicContact CB-CB 3.92Å; P1144-A1146 PolarHBondContact O-N 3.22Å; P1144-A1146 VanDerWaalsContact O-N 3.09Å; P1144-A1147 PolarHBondContact O-N 2.78Å; P1144-Q1219 HydrophobicContact CB-CG 3.86Å; P1144-Q1219 HydrophobicContact CG-CG 4.32Å; P1144-N1279 WeakPolarHBondContact CD-OD1 3.18Å; P1144-R1280 WeakPolarHBondContact CG-O 3.26Å; P1144-W1281 HydrophobicContact CB-CD2 4.4Å; P1144-W1281 HydrophobicContact CB-CE3 4.18Å; P1144-W1281 HydrophobicContact CB-CH2 4.2Å; P1144-W1281 HydrophobicContact CB-CZ2 4.41Å; P1144-W1281 HydrophobicContact CB-CZ3 4.08Å; P1144-W1281 HydrophobicContact CG-CD2 3.69Å; P1144-W1281 HydrophobicContact CG-CE3 3.82Å; P1144-W1281 HydrophobicContact CG-CG 4.08Å; P1144-W1281 HydrophobicContact CG-CH2 4.49Å; P1144-W1281 HydrophobicContact CG-CZ2 4.37Å; P1144-W1281 HydrophobicContact CG-CZ3 4.23Å |
| 1145 | S | 96.6 | Very high | 94.9 | Very high | 11 Ų | 11 | 32 Ų | 32 | 8% | 0.077 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -61.3 | -12.2 | 174 | 61.8 | 0 | 0 | 0 | 0 | 114.8 | A1102 L1143 A1147 N1279 | A1102-S1145 WeakPolarHBondContact CB-O 3.23Å; L1143-S1145 PolarHBondContact O-N 2.74Å; L1143-S1145 VanDerWaalsContact O-N 3.1Å; S1145-A1147 PolarHBondContact O-N 3.41Å; S1145-N1279 WeakPolarHBondContact CB-ND2 3.39Å; S1145-N1279 VanDerWaalsContact CB-OD1 3.3Å; S1145-N1279 WeakPolarHBondContact CB-OD1 3.36Å; S1145-N1279 PolarHBondContact N-OD1 3.19Å; S1145-N1279 PolarHBondContact OG-ND2 3.15Å; S1145-N1279 PolarHBondContact OG-OD1 3.18Å |
| 1146 | A | 97.4 | Very high | 94.9 | Very high | 7 Ų | 7 | 27.2 Ų | 27.2 | 6% | 0.058 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -58.6 | -26.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1102 E1103 F1137 R1142 L1143 P1144 | A1102-A1146 CarbonylContact C-O 3.57Å; A1102-A1146 WeakPolarHBondContact CA-O 3.05Å; E1103-A1146 PolarHBondContact N-O 3.31Å; F1137-A1146 HydrophobicContact CB-CB 4.23Å; F1137-A1146 HydrophobicContact CD1-CB 4.1Å; F1137-A1146 HydrophobicContact CG-CB 4.4Å; R1142-A1146 HydrophobicContact CB-CB 4.26Å; L1143-A1146 WeakPolarHBondContact O-CB 3.43Å; L1143-A1146 PolarHBondContact O-N 3.35Å; P1144-A1146 PolarHBondContact O-N 3.22Å; P1144-A1146 VanDerWaalsContact O-N 3.09Å |
| 1147 | A | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 111.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | N1105 A1132 F1137 P1144 S1145 N1149 T1221 | N1105-A1147 HydrophobicContact CB-CB 4.42Å; A1132-A1147 HydrophobicContact CB-CB 4.25Å; F1137-A1147 HydrophobicContact CD2-CB 3.68Å; F1137-A1147 HydrophobicContact CE2-CB 3.78Å; F1137-A1147 HydrophobicContact CG-CB 4.27Å; F1137-A1147 HydrophobicContact CZ-CB 4.46Å; P1144-A1147 PolarHBondContact O-N 2.78Å; S1145-A1147 PolarHBondContact O-N 3.41Å; A1147-N1149 PolarHBondContact O-N 3.01Å; A1147-T1221 PolarHBondContact O-N 3.17Å |
| 1148 | I | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 103.6 | 162.8 | -52.8 | -52.8 | 0 | 0 | 0 | 107.4 | W860 I865 I1081 A1102 E1103 N1105 L1150 T1221 M1223 | W860-I1148 HydrophobicContact CH2-CD1 4.21Å; W860-I1148 HydrophobicContact CZ3-CD1 3.62Å; I865-I1148 HydrophobicContact CD1-CD1 4.17Å; I865-I1148 HydrophobicContact CD1-CG2 4.33Å; I1081-I1148 HydrophobicContact CD1-CD1 4.44Å; I1081-I1148 HydrophobicContact CG1-CD1 4.42Å; I1081-I1148 HydrophobicContact CG1-CG1 4.36Å; I1081-I1148 HydrophobicContact CG2-CG1 3.85Å; A1102-I1148 HydrophobicContact CB-CD1 3.71Å; A1102-I1148 HydrophobicContact CB-CG1 3.93Å; E1103-I1148 WeakPolarHBondContact O-CB 3.47Å; E1103-I1148 PolarHBondContact O-N 3.28Å; N1105-I1148 VanDerWaalsContact CB-O 3.24Å; N1105-I1148 WeakPolarHBondContact CB-O 3.37Å; N1105-I1148 PolarHBondContact N-O 2.92Å; I1148-L1150 VanDerWaalsContact O-CD2 3.28Å; I1148-L1150 WeakPolarHBondContact O-CD2 3.45Å; I1148-T1221 CarbonylContact C-O 3.55Å; I1148-T1221 WeakPolarHBondContact CA-O 3.23Å; I1148-T1221 HydrophobicContact CD1-CG2 3.98Å; I1148-M1223 HydrophobicContact CG2-CB 3.76Å; I1148-M1223 HydrophobicContact CG2-SD 4.33Å |
| 1149 | N | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 129.7 | 177.7 | -67.2 | -14.1 | 0 | 0 | 0 | 109.3 | N1105 F1108 A1147 L1215 S1218 Q1219 T1221 P1222 M1223 | N1105-N1149 PolarHBondContact ND2-OD1 2.89Å; F1108-N1149 HydrophobicContact CD1-CB 3.87Å; F1108-N1149 HydrophobicContact CD2-CB 4.05Å; F1108-N1149 HydrophobicContact CE1-CB 4.02Å; F1108-N1149 HydrophobicContact CE2-CB 4.19Å; F1108-N1149 HydrophobicContact CG-CB 3.9Å; F1108-N1149 HydrophobicContact CZ-CB 4.18Å; A1147-N1149 PolarHBondContact O-N 3.01Å; N1149-L1215 HydrophobicContact CB-CD1 4.14Å; N1149-L1215 WeakPolarHBondContact O-CD1 3.32Å; N1149-S1218 PolarHBondContact ND2-OG 3.36Å; N1149-Q1219 PolarHBondContact ND2-O 3.11Å; N1149-T1221 PolarHBondContact N-O 2.77Å; N1149-P1222 WeakPolarHBondContact O-CA 3.47Å; N1149-M1223 PolarHBondContact O-N 2.73Å |
| 1150 | L | 97.8 | Very high | 95.3 | Very high | 3 Ų | 3 | 22.7 Ų | 22.7 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | trans | -138.9 | 147.3 | 175.7 | 63.1 | 154.3 | 0 | 0 | 0 | 109.8 | W1104 R1109 I1148 A1153 M1223 | W1104-L1150 HydrophobicContact CB-CD2 4.03Å; W1104-L1150 HydrophobicContact CD2-CD1 4.36Å; W1104-L1150 HydrophobicContact CE3-CD1 4.5Å; W1104-L1150 HydrophobicContact CG-CD2 4.08Å; R1109-L1150 VanDerWaalsContact CA-O 3.23Å; R1109-L1150 WeakPolarHBondContact CA-O 3.5Å; R1109-L1150 VanDerWaalsContact CB-O 3.29Å; R1109-L1150 WeakPolarHBondContact CB-O 3.31Å; I1148-L1150 VanDerWaalsContact O-CD2 3.28Å; I1148-L1150 WeakPolarHBondContact O-CD2 3.45Å; L1150-A1153 HydrophobicContact CD1-CB 3.8Å; L1150-M1223 HydrophobicContact CB-CB 4.37Å; L1150-M1223 HydrophobicContact CB-CE 3.94Å; L1150-M1223 HydrophobicContact CD1-CE 3.8Å; L1150-M1223 HydrophobicContact CG-CE 4.43Å | ||
| 1151 | V | 97.7 | Very high | 95.9 | Very high | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.012 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -100.3 | -21.7 | 167.8 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | F1108 R1109 A1112 R1113 L1159 L1211 L1215 | F1108-V1151 HydrophobicContact CE1-CG2 4.12Å; R1109-V1151 WeakPolarHBondContact CG-O 3.33Å; A1112-V1151 HydrophobicContact CB-CG2 4.5Å; R1113-V1151 HydrophobicContact CG-CG1 4.27Å; R1113-V1151 PolarHBondContact NE-O 2.93Å; R1113-V1151 PolarHBondContact NH2-O 2.54Å; V1151-L1159 HydrophobicContact CG1-CD1 4.02Å; V1151-L1211 HydrophobicContact CG1-CB 4.28Å; V1151-L1211 HydrophobicContact CG1-CD1 4.4Å; V1151-L1211 HydrophobicContact CG1-CD2 4.08Å; V1151-L1211 HydrophobicContact CG1-CG 4.49Å; V1151-L1215 HydrophobicContact CG2-CB 3.91Å; V1151-L1215 HydrophobicContact CG2-CD1 4.43Å; V1151-L1215 HydrophobicContact CG2-CD2 4.3Å; V1151-L1215 HydrophobicContact CG2-CG 4.45Å |
| 1152 | T | 97.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 14.1 Ų | 14.1 | 1% | 0.012 | 7% | 0.072 | C | C | . | . | trans | -155.1 | 154.8 | -171.5 | 44.3 | 0 | 0 | 0 | 0 | 108 | F1157 L1159 D1228 | T1152-F1157 WeakPolarHBondContact CG2-O 3.22Å; T1152-L1159 HydrophobicContact CG2-CB 4.15Å; T1152-D1228 WeakPolarHBondContact CB-OD2 3.43Å; T1152-D1228 PolarHBondContact OG1-OD2 3.25Å | ||
| 1153 | A | 96.1 | Very high | 96.6 | Very high | 5 Ų | 5 | 13.7 Ų | 13.7 | 4% | 0.041 | 7% | 0.07 | C | C | . | . | trans | -148.2 | 172.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | E867 W1104 L1150 D1155 M1223 L1225 | E867-A1153 VanDerWaalsContact OE2-CA 3.31Å; E867-A1153 WeakPolarHBondContact OE2-CA 3.49Å; W1104-A1153 HydrophobicContact CH2-CB 3.64Å; W1104-A1153 HydrophobicContact CZ2-CB 4.25Å; W1104-A1153 HydrophobicContact CZ3-CB 4.07Å; L1150-A1153 HydrophobicContact CD1-CB 3.8Å; A1153-D1155 CarbonylContact O-C 3.47Å; A1153-D1155 PolarHBondContact O-N 3.18Å; A1153-M1223 HydrophobicContact CB-CE 3.88Å; A1153-L1225 WeakPolarHBondContact O-CD2 3.47Å | ||
| 1154 | H | 94.8 | Very high | 96.7 | Very high | 13 Ų | 13 | 9.8 Ų | 9.8 | 6% | 0.06 | 5% | 0.05 | C | C | . | . | S | Bend | trans | -56.9 | -35.4 | 178.2 | 71.8 | -88.1 | 0 | 0 | 0 | 112.6 | E867 L911 W931 Y933 R1046 W1104 L1225 | E867-H1154 IonicContact OE1-CE1 2.93Å; E867-H1154 IonicContact OE1-CG 3.94Å; E867-H1154 IonicContact OE1-ND1 3.25Å; E867-H1154 PolarHBondContact OE1-ND1 2.87Å; E867-H1154 PolarHBondContact OE2-N 2.77Å; E867-H1154 IonicContact OE2-ND1 2.65Å; L911-H1154 HydrophobicContact CD1-CB 4.28Å; L911-H1154 HydrophobicContact CD2-CB 4.18Å; W931-H1154 AromaticContact CD2-CD2 3.74Å; W931-H1154 AromaticContact CE2-CD2 3.84Å; W931-H1154 AromaticContact CE3-CD2 3.65Å; W931-H1154 AromaticContact CH2-CD2 3.85Å; W931-H1154 AromaticContact CZ2-CD2 3.91Å; W931-H1154 WeakPolarHBondContact CZ2-O 3.41Å; W931-H1154 AromaticContact CZ3-CD2 3.7Å; Y933-H1154 AromaticContact CE2-CD2 3.98Å; Y933-H1154 AromaticContact CE2-NE2 3.4Å; Y933-H1154 WeakPolarHBondContact CE2-NE2 3.49Å; Y933-H1154 AromaticContact CZ-CE1 3.77Å; Y933-H1154 AromaticContact CZ-NE2 3.53Å; Y933-H1154 PolarHBondContact OH-CE1 2.72Å; Y933-H1154 PolarHBondContact OH-NE2 2.97Å; Y933-H1154 VanDerWaalsContact OH-NE2 3.14Å; R1046-H1154 PolarHBondContact NH2-CE1 3.42Å; W1104-H1154 AromaticContact CH2-CE1 4Å; H1154-L1225 HydrophobicContact CB-CD1 4.31Å |
| 1155 | D | 89.9 | Confident | 96.7 | Very high | 64 Ų | 64 | 10.4 Ų | 10.4 | 34% | 0.342 | 5% | 0.053 | S | C | . | . | S | Bend | trans | -76.5 | 111.9 | 164.3 | 164.4 | -54.4 | 0 | 0 | 0 | 108.7 | A1153 | A1153-D1155 CarbonylContact O-C 3.47Å; A1153-D1155 PolarHBondContact O-N 3.18Å |
| 1156 | G | 94.5 | Very high | 96.7 | Very high | 6 Ų | 6 | 12.5 Ų | 12.5 | 6% | 0.062 | 6% | 0.063 | C | C | . | . | S | Bend | trans | 112.7 | -169.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | N1238 | G1156-N1238 CarbonylContact C-O 3.56Å; G1156-N1238 WeakPolarHBondContact CA-O 3.47Å; G1156-N1238 PolarHBondContact N-O 3.1Å; G1156-N1238 WeakPolarHBondContact O-CA 3.43Å |
| 1157 | F | 96.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -73.1 | 141.1 | 176.9 | -81.7 | -20.1 | 0 | 0 | 0 | 111.8 | T1152 D1161 F1165 N1184 G1236 N1238 | T1152-F1157 WeakPolarHBondContact CG2-O 3.22Å; F1157-D1161 HydrophobicContact CB-CB 3.91Å; F1157-D1161 HydrophobicContact CD1-CB 3.8Å; F1157-D1161 HydrophobicContact CD2-CB 4.4Å; F1157-D1161 HydrophobicContact CE1-CB 4.48Å; F1157-D1161 HydrophobicContact CG-CB 3.8Å; F1157-F1165 HydrophobicContact CE2-CB 4.16Å; F1157-F1165 HydrophobicContact CZ-CB 3.88Å; F1157-N1184 HydrophobicContact CD2-CB 3.65Å; F1157-N1184 HydrophobicContact CE2-CB 3.65Å; F1157-G1236 VanDerWaalsContact CE1-O 3.28Å; F1157-G1236 WeakPolarHBondContact CE1-O 3.3Å; F1157-N1238 HydrophobicContact CD1-CB 3.39Å; F1157-N1238 HydrophobicContact CE1-CB 3.62Å; F1157-N1238 HydrophobicContact CG-CB 4.24Å | ||
| 1158 | T | 96.9 | Very high | 96.5 | Very high | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.012 | 9% | 0.091 | C | C | . | . | trans | -60.2 | 161.6 | 157.6 | 67.2 | 0 | 0 | 0 | 0 | 110.5 | R1160 D1161 C1162 L1225 H1232 Q1234 | T1158-R1160 VanDerWaalsContact C-N 3.26Å; T1158-R1160 PolarHBondContact O-N 2.82Å; T1158-D1161 PolarHBondContact O-N 2.67Å; T1158-D1161 WeakPolarHBondContact OG1-CB 3.07Å; T1158-D1161 PolarHBondContact OG1-N 3.38Å; T1158-D1161 PolarHBondContact OG1-OD2 2.8Å; T1158-C1162 PolarHBondContact O-N 2.91Å; T1158-L1225 HydrophobicContact CG2-CD2 4.42Å; T1158-H1232 PolarHBondContact OG1-O 3.46Å; T1158-Q1234 HydrophobicContact CG2-CG 3.81Å | ||
| 1159 | L | 97.5 | Very high | 96.4 | Very high | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.021 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.8 | -35.6 | -177.6 | -177.1 | 63.3 | 0 | 0 | 0 | 111.7 | V1151 T1152 D1161 C1162 I1208 L1211 L1212 D1228 | V1151-L1159 HydrophobicContact CG1-CD1 4.02Å; T1152-L1159 HydrophobicContact CG2-CB 4.15Å; L1159-D1161 VanDerWaalsContact C-N 3.33Å; L1159-C1162 PolarHBondContact O-N 2.94Å; L1159-I1208 HydrophobicContact CD2-CG2 3.85Å; L1159-I1208 HydrophobicContact CG-CG1 4.3Å; L1159-I1208 HydrophobicContact CG-CG2 4.42Å; L1159-L1211 HydrophobicContact CD1-CB 4Å; L1159-L1211 HydrophobicContact CD1-CD1 3.71Å; L1159-L1212 HydrophobicContact CD2-CD1 3.95Å; L1159-L1212 HydrophobicContact CD2-CD2 3.97Å; L1159-L1212 HydrophobicContact CD2-CG 3.63Å; L1159-D1228 HydrophobicContact CB-CB 3.88Å; L1159-D1228 VanDerWaalsContact CB-OD1 3.31Å; L1159-D1228 WeakPolarHBondContact CB-OD1 3.38Å; L1159-D1228 WeakPolarHBondContact CB-OD2 3.4Å; L1159-D1228 HydrophobicContact CD2-CB 4.32Å; L1159-D1228 PolarHBondContact N-OD1 3.05Å |
| 1160 | R | 96.7 | Very high | 96.3 | Very high | 81 Ų | 81 | 22 Ų | 22 | 31% | 0.306 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -66.2 | -38.4 | 173.9 | -171.7 | 167.5 | 179.1 | -174 | -0.1 | 111.3 | T1158 V1163 C1164 L1194 G1231 H1232 | T1158-R1160 VanDerWaalsContact C-N 3.26Å; T1158-R1160 PolarHBondContact O-N 2.82Å; R1160-V1163 VanDerWaalsContact O-CG2 3.28Å; R1160-V1163 WeakPolarHBondContact O-CG2 3.39Å; R1160-V1163 PolarHBondContact O-N 3.27Å; R1160-C1164 WeakPolarHBondContact O-CB 3.39Å; R1160-C1164 PolarHBondContact O-N 3.03Å; R1160-C1164 PolarHBondContact O-SG 2.65Å; R1160-L1194 HydrophobicContact CG-CD2 4.25Å; R1160-G1231 WeakPolarHBondContact CD-O 2.94Å; R1160-G1231 PolarHBondContact NH1-O 2.98Å; R1160-H1232 WeakPolarHBondContact CB-O 3.27Å |
| 1161 | D | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -70.1 | -35.1 | 179.7 | -66.7 | -29.8 | 0 | 0 | 0 | 112 | F1157 T1158 L1159 V1163 C1164 F1165 S1233 Q1234 | F1157-D1161 HydrophobicContact CB-CB 3.91Å; F1157-D1161 HydrophobicContact CD1-CB 3.8Å; F1157-D1161 HydrophobicContact CD2-CB 4.4Å; F1157-D1161 HydrophobicContact CE1-CB 4.48Å; F1157-D1161 HydrophobicContact CG-CB 3.8Å; T1158-D1161 PolarHBondContact O-N 2.67Å; T1158-D1161 WeakPolarHBondContact OG1-CB 3.07Å; T1158-D1161 PolarHBondContact OG1-N 3.38Å; T1158-D1161 PolarHBondContact OG1-OD2 2.8Å; L1159-D1161 VanDerWaalsContact C-N 3.33Å; D1161-V1163 PolarHBondContact O-N 3.37Å; D1161-C1164 PolarHBondContact O-N 3.3Å; D1161-F1165 HydrophobicContact CB-CD2 3.99Å; D1161-F1165 PolarHBondContact O-N 2.82Å; D1161-F1165 WeakPolarHBondContact OD1-CD2 3.49Å; D1161-F1165 WeakPolarHBondContact OD1-CE2 3.38Å; D1161-S1233 WeakPolarHBondContact OD1-CB 3.29Å; D1161-S1233 PolarHBondContact OD1-OG 2.87Å; D1161-Q1234 PolarHBondContact OD2-N 3.39Å |
| 1162 | C | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -54.8 | -24.4 | 171.7 | -80.6 | 0 | 0 | 0 | 0 | 114.2 | R1113 T1158 L1159 S1186 N1187 | R1113-C1162 VanDerWaalsContact CZ-SG 3.57Å; T1158-C1162 PolarHBondContact O-N 2.91Å; L1159-C1162 PolarHBondContact O-N 2.94Å; C1162-S1186 CarbonylContact O-C 3.52Å; C1162-S1186 VanDerWaalsContact O-CA 3.26Å; C1162-S1186 WeakPolarHBondContact O-CA 3.18Å; C1162-S1186 WeakPolarHBondContact O-CB 3.44Å; C1162-N1187 PolarHBondContact O-N 3.01Å |
| 1163 | V | 97.2 | Very high | 96 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | -0.9 | 178.7 | -56.2 | 0 | 0 | 0 | 0 | 113.7 | L1117 R1160 D1161 N1187 N1188 R1204 I1208 | L1117-V1163 HydrophobicContact CD2-CG1 4.12Å; R1160-V1163 VanDerWaalsContact O-CG2 3.28Å; R1160-V1163 WeakPolarHBondContact O-CG2 3.39Å; R1160-V1163 PolarHBondContact O-N 3.27Å; D1161-V1163 PolarHBondContact O-N 3.37Å; V1163-N1187 CarbonylContact C-O 3.24Å; V1163-N1187 VanDerWaalsContact C-O 3.31Å; V1163-N1187 VanDerWaalsContact CA-O 3.26Å; V1163-N1187 WeakPolarHBondContact CA-O 3.34Å; V1163-N1187 VanDerWaalsContact O-O 3.12Å; V1163-N1188 WeakPolarHBondContact O-CA 3.37Å; V1163-R1204 HydrophobicContact CB-CB 4.29Å; V1163-R1204 HydrophobicContact CB-CG 4.12Å; V1163-R1204 HydrophobicContact CG2-CB 3.9Å; V1163-R1204 HydrophobicContact CG2-CG 4.05Å; V1163-R1204 WeakPolarHBondContact O-CD 3.32Å; V1163-R1204 WeakPolarHBondContact O-CG 3.48Å; V1163-R1204 PolarHBondContact O-NE 3.38Å; V1163-I1208 HydrophobicContact CG1-CG1 4.26Å; V1163-I1208 HydrophobicContact CG2-CD1 3.81Å; V1163-I1208 HydrophobicContact CG2-CG1 3.92Å |
| 1164 | C | 97.4 | Very high | 95.8 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.02 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | -22.3 | -177.7 | -65.4 | 0 | 0 | 0 | 0 | 113.8 | R1160 D1161 N1188 E1192 G1193 L1194 R1204 | R1160-C1164 WeakPolarHBondContact O-CB 3.39Å; R1160-C1164 PolarHBondContact O-N 3.03Å; R1160-C1164 PolarHBondContact O-SG 2.65Å; D1161-C1164 PolarHBondContact O-N 3.3Å; C1164-N1188 WeakPolarHBondContact O-CB 3.39Å; C1164-E1192 CarbonylContact O-C 3.51Å; C1164-E1192 WeakPolarHBondContact O-CA 3.34Å; C1164-G1193 PolarHBondContact O-N 3.49Å; C1164-L1194 HydrophobicContact CB-CD2 4.15Å; C1164-R1204 PolarHBondContact SG-NH1 3.48Å |
| 1165 | F | 97.5 | Very high | 95.7 | Very high | 14 Ų | 14 | 32.3 Ų | 32.3 | 6% | 0.061 | 17% | 0.173 | C | C | . | . | trans | -132.7 | 135.9 | -174.1 | -60.8 | -90.2 | 0 | 0 | 0 | 111.4 | F1157 D1161 H1169 S1186 E1192 L1194 H1235 | F1157-F1165 HydrophobicContact CE2-CB 4.16Å; F1157-F1165 HydrophobicContact CZ-CB 3.88Å; D1161-F1165 HydrophobicContact CB-CD2 3.99Å; D1161-F1165 PolarHBondContact O-N 2.82Å; D1161-F1165 WeakPolarHBondContact OD1-CD2 3.49Å; D1161-F1165 WeakPolarHBondContact OD1-CE2 3.38Å; F1165-H1169 AromaticContact CD1-CD2 3.62Å; F1165-H1169 AromaticContact CD1-NE2 3.73Å; F1165-S1186 WeakPolarHBondContact O-CB 3.37Å; F1165-S1186 PolarHBondContact O-OG 3.35Å; F1165-E1192 HydrophobicContact CD1-CG 3.86Å; F1165-L1194 HydrophobicContact CE2-CD2 3.93Å; F1165-L1194 HydrophobicContact CE2-CG 4.39Å; F1165-L1194 HydrophobicContact CZ-CD2 4.4Å; F1165-L1194 HydrophobicContact CZ-CG 4.37Å; F1165-H1235 VanDerWaalsContact CZ-C 3.43Å | ||
| 1166 | N | 95.8 | Very high | 95.9 | Very high | 56 Ų | 56 | 37 Ų | 37 | 30% | 0.299 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -97.7 | -23.2 | 171.7 | -77 | -9 | 0 | 0 | 0 | 111.7 | N1187 N1188 E1192 | N1166-N1187 VanDerWaalsContact OD1-CA 3.24Å; N1166-N1187 WeakPolarHBondContact OD1-CA 3.41Å; N1166-N1188 VanDerWaalsContact ND2-CG 3.32Å; N1166-N1188 PolarHBondContact ND2-ND2 3.47Å; N1166-N1188 PolarHBondContact ND2-OD1 2.88Å; N1166-N1188 PolarHBondContact OD1-N 3.43Å; N1166-E1192 PolarHBondContact N-OE1 2.85Å; N1166-E1192 VanDerWaalsContact N-OE1 3.07Å; N1166-E1192 PolarHBondContact N-OE2 3.25Å |
| 1167 | H | 95 | Very high | 95.9 | Very high | 126 Ų | 126 | 38.5 Ų | 38.5 | 58% | 0.583 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -118.6 | 146.6 | 179.7 | -56.6 | -63.6 | 0 | 0 | 0 | 109.9 | H1169 E1192 | H1167-H1169 PolarHBondContact O-CD2 3.44Å; H1167-H1169 PolarHBondContact O-NE2 2.9Å; H1167-E1192 IonicContact CD2-OE1 2.92Å; H1167-E1192 PolarHBondContact N-OE1 3.2Å |
| 1168 | K | 95.9 | Very high | 95.8 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 5% | 0.048 | 23% | 0.233 | C | C | . | . | trans | -71.8 | 147.2 | 171 | 58.4 | 169.7 | -172.2 | 175.5 | 0 | 110.5 | N1177 R1178 D1179 G1180 N1182 G1236 | K1168-N1177 WeakPolarHBondContact CE-O 3.3Å; K1168-N1177 WeakPolarHBondContact CG-OD1 3.26Å; K1168-N1177 PolarHBondContact NZ-O 3.03Å; K1168-N1177 PolarHBondContact O-ND2 3.24Å; K1168-N1177 PolarHBondContact O-OD1 2.95Å; K1168-R1178 PolarHBondContact NZ-O 3.38Å; K1168-D1179 PolarHBondContact NZ-O 2.81Å; K1168-G1180 PolarHBondContact NZ-O 2.75Å; K1168-N1182 WeakPolarHBondContact CE-OD1 3.37Å; K1168-G1236 CarbonylContact C-O 3.59Å; K1168-G1236 WeakPolarHBondContact CA-O 3Å | ||
| 1169 | H | 96.1 | Very high | 95.5 | Very high | 69 Ų | 69 | 47.8 Ų | 47.8 | 32% | 0.319 | 24% | 0.236 | S | C | . | . | trans | -128.4 | 65.5 | -179.6 | -63 | -88.9 | 0 | 0 | 0 | 109 | F1165 H1167 E1171 E1192 G1236 | F1165-H1169 AromaticContact CD1-CD2 3.62Å; F1165-H1169 AromaticContact CD1-NE2 3.73Å; H1167-H1169 PolarHBondContact O-CD2 3.44Å; H1167-H1169 PolarHBondContact O-NE2 2.9Å; H1169-E1171 VanDerWaalsContact C-N 3.33Å; H1169-E1171 WeakPolarHBondContact CA-OE2 3.5Å; H1169-E1192 IonicContact NE2-OE1 3.94Å; H1169-E1192 PolarHBondContact NE2-OE1 2.92Å; H1169-G1236 PolarHBondContact N-O 3.42Å | ||
| 1170 | N | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -91.5 | 12.7 | -175.5 | -60.9 | -2.4 | 0 | 0 | 0 | 112.8 | A1172 N1173 N1177 D1179 N1237 N1238 | N1170-A1172 PolarHBondContact O-N 2.9Å; N1170-N1173 VanDerWaalsContact O-CB 3.3Å; N1170-N1173 WeakPolarHBondContact O-CB 3.3Å; N1170-N1173 PolarHBondContact O-N 2.84Å; N1170-N1177 WeakPolarHBondContact CB-OD1 3.48Å; N1170-N1177 PolarHBondContact N-OD1 2.98Å; N1170-D1179 WeakPolarHBondContact CB-OD1 3.47Å; N1170-D1179 PolarHBondContact ND2-O 2.89Å; N1170-N1237 VanDerWaalsContact OD1-CA 3.23Å; N1170-N1237 WeakPolarHBondContact OD1-CA 3.2Å; N1170-N1237 PolarHBondContact OD1-OD1 2.98Å; N1170-N1237 VanDerWaalsContact OD1-OD1 3.08Å; N1170-N1238 PolarHBondContact ND2-OD1 3.05Å; N1170-N1238 PolarHBondContact OD1-N 2.8Å; N1170-N1238 PolarHBondContact OD1-OD1 3.15Å | ||
| 1171 | E | 96.3 | Very high | 94.9 | Very high | 102 Ų | 102 | 48.4 Ų | 48.4 | 48% | 0.477 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -55.2 | -31.5 | -175.9 | -68.4 | 76.8 | -169.9 | 0 | 0 | 113 | H1169 N1173 G1174 N1177 | H1169-E1171 VanDerWaalsContact C-N 3.33Å; H1169-E1171 WeakPolarHBondContact CA-OE2 3.5Å; E1171-N1173 PolarHBondContact O-N 3.32Å; E1171-N1173 VanDerWaalsContact O-N 3.15Å; E1171-G1174 PolarHBondContact O-N 3.22Å; E1171-N1177 HydrophobicContact CG-CB 4.28Å; E1171-N1177 WeakPolarHBondContact OE1-CB 3.06Å; E1171-N1177 PolarHBondContact OE1-ND2 2.84Å |
| 1172 | A | 94.2 | Very high | 94.7 | Very high | 54 Ų | 54 | 54.2 Ų | 54.2 | 45% | 0.446 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -59.1 | -23.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N1170 G1174 Q1243 | N1170-A1172 PolarHBondContact O-N 2.9Å; A1172-G1174 PolarHBondContact O-N 3.49Å; A1172-Q1243 PolarHBondContact O-NE2 3.19Å |
| 1173 | N | 95.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -77.6 | -11.5 | 179.6 | -58.5 | -10.8 | 0 | 0 | 0 | 112.4 | M925 N1170 E1171 E1175 D1179 N1237 N1239 Q1243 | M925-N1173 WeakPolarHBondContact CE-O 3.36Å; N1170-N1173 VanDerWaalsContact O-CB 3.3Å; N1170-N1173 WeakPolarHBondContact O-CB 3.3Å; N1170-N1173 PolarHBondContact O-N 2.84Å; E1171-N1173 PolarHBondContact O-N 3.32Å; E1171-N1173 VanDerWaalsContact O-N 3.15Å; N1173-E1175 VanDerWaalsContact C-N 3.34Å; N1173-D1179 PolarHBondContact ND2-OD2 3.42Å; N1173-N1237 PolarHBondContact OD1-ND2 3.34Å; N1173-N1239 PolarHBondContact ND2-O 3.36Å; N1173-Q1243 WeakPolarHBondContact OD1-CG 3.26Å; N1173-Q1243 PolarHBondContact OD1-NE2 3.14Å |
| 1174 | G | 93.4 | Very high | 94.1 | Very high | 43 Ų | 43 | 59.5 Ų | 59.5 | 44% | 0.443 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 71.6 | 24.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E1171 A1172 | E1171-G1174 PolarHBondContact O-N 3.22Å; A1172-G1174 PolarHBondContact O-N 3.49Å |
| 1175 | E | 91.8 | Very high | 94 | Very high | 42 Ų | 42 | 62.3 Ų | 62.3 | 20% | 0.196 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -111.2 | 20.2 | 177 | -64.4 | -172.1 | -140.5 | 0 | 0 | 113.2 | R921 N1173 N1177 R1178 D1179 Y1241 | R921-E1175 IonicContact CZ-OE1 3.91Å; R921-E1175 IonicContact NH1-OE1 3.47Å; R921-E1175 PolarHBondContact NH1-OE1 3.47Å; R921-E1175 IonicContact NH2-OE1 3.68Å; R921-E1175 PolarHBondContact NH2-OE1 2.89Å; N1173-E1175 VanDerWaalsContact C-N 3.34Å; E1175-N1177 PolarHBondContact O-N 2.83Å; E1175-R1178 WeakPolarHBondContact O-CB 3.38Å; E1175-R1178 WeakPolarHBondContact O-CG 3.31Å; E1175-R1178 PolarHBondContact O-N 3.36Å; E1175-R1178 VanDerWaalsContact O-N 3.15Å; E1175-R1178 PolarHBondContact O-NE 3Å; E1175-R1178 VanDerWaalsContact O-NE 3.15Å; E1175-D1179 HydrophobicContact CB-CB 4.31Å; E1175-Y1241 PolarHBondContact OE1-OH 2.87Å |
| 1176 | E | 94.2 | Very high | 94 | Very high | 164 Ų | 164 | 62 Ų | 62 | 77% | 0.766 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 36.3 | -179.7 | -57.9 | 174.5 | -138.3 | 0 | 0 | 112.4 | R1178 | E1176-R1178 PolarHBondContact O-N 2.88Š|
| 1177 | N | 94.6 | Very high | 94 | Very high | 36 Ų | 36 | 61.1 Ų | 61.1 | 19% | 0.193 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 22.4 | -179.8 | -158.4 | 13.3 | 0 | 0 | 0 | 113.6 | K1168 N1170 E1171 E1175 | K1168-N1177 WeakPolarHBondContact CE-O 3.3Å; K1168-N1177 WeakPolarHBondContact CG-OD1 3.26Å; K1168-N1177 PolarHBondContact NZ-O 3.03Å; K1168-N1177 PolarHBondContact O-ND2 3.24Å; K1168-N1177 PolarHBondContact O-OD1 2.95Å; N1170-N1177 WeakPolarHBondContact CB-OD1 3.48Å; N1170-N1177 PolarHBondContact N-OD1 2.98Å; E1171-N1177 HydrophobicContact CG-CB 4.28Å; E1171-N1177 WeakPolarHBondContact OE1-CB 3.06Å; E1171-N1177 PolarHBondContact OE1-ND2 2.84Å; E1175-N1177 PolarHBondContact O-N 2.83Å |
| 1178 | R | 93.2 | Very high | 94.1 | Very high | 185 Ų | 185 | 55.9 Ų | 55.9 | 70% | 0.698 | 30% | 0.296 | S | S | * | . | trans | -84.1 | -23.9 | 179.4 | -64.3 | -177.1 | -63.3 | 158.3 | 2 | 113.1 | K1168 E1175 E1176 | K1168-R1178 PolarHBondContact NZ-O 3.38Å; E1175-R1178 WeakPolarHBondContact O-CB 3.38Å; E1175-R1178 WeakPolarHBondContact O-CG 3.31Å; E1175-R1178 PolarHBondContact O-N 3.36Å; E1175-R1178 VanDerWaalsContact O-N 3.15Å; E1175-R1178 PolarHBondContact O-NE 3Å; E1175-R1178 VanDerWaalsContact O-NE 3.15Å; E1176-R1178 PolarHBondContact O-N 2.88Å | ||
| 1179 | D | 92 | Very high | 94 | Very high | 13 Ų | 13 | 56.8 Ų | 56.8 | 7% | 0.07 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -79.3 | 152.7 | 179.7 | 67 | -58.8 | 0 | 0 | 0 | 112.1 | K1168 N1170 N1173 E1175 N1239 | K1168-D1179 PolarHBondContact NZ-O 2.81Å; N1170-D1179 WeakPolarHBondContact CB-OD1 3.47Å; N1170-D1179 PolarHBondContact ND2-O 2.89Å; N1173-D1179 PolarHBondContact ND2-OD2 3.42Å; E1175-D1179 HydrophobicContact CB-CB 4.31Å; D1179-N1239 PolarHBondContact OD2-ND2 2.83Å |
| 1180 | G | 91.3 | Very high | 93.8 | Very high | 32 Ų | 32 | 57.1 Ų | 57.1 | 33% | 0.33 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 77.3 | 162.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | K1168 | K1168-G1180 PolarHBondContact NZ-O 2.75Š|
| 1181 | T | 90.2 | Very high | 93.7 | Very high | 65 Ų | 65 | 62.6 Ų | 62.6 | 40% | 0.399 | 35% | 0.346 | S | S | . | . | trans | -77.3 | 147.1 | -175.4 | -174.7 | 0 | 0 | 0 | 0 | 113.6 | N1183 N1184 N1238 | T1181-N1183 PolarHBondContact OG1-N 3.39Å; T1181-N1183 VanDerWaalsContact OG1-N 3.08Å; T1181-N1184 PolarHBondContact O-ND2 3.26Å; T1181-N1238 PolarHBondContact O-ND2 2.6Å | ||
| 1182 | N | 92.2 | Very high | 93.6 | Very high | 123 Ų | 123 | 60.6 Ų | 60.6 | 66% | 0.658 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -89.2 | -17 | 168 | -72.9 | -49 | 0 | 0 | 0 | 112.7 | K1168 N1184 | K1168-N1182 WeakPolarHBondContact CE-OD1 3.37Å; N1182-N1184 VanDerWaalsContact C-N 3.32Å; N1182-N1184 PolarHBondContact O-N 3.3Å |
| 1183 | N | 90.5 | Very high | 93.7 | Very high | 108 Ų | 108 | 58.8 Ų | 58.8 | 58% | 0.578 | 32% | 0.324 | S | S | * | . | trans | -86.8 | 69.9 | -177.5 | -84 | -10.7 | 0 | 0 | 0 | 111 | T1181 | T1181-N1183 PolarHBondContact OG1-N 3.39Å; T1181-N1183 VanDerWaalsContact OG1-N 3.08Å | ||
| 1184 | N | 92 | Very high | 93.6 | Very high | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.016 | 34% | 0.335 | C | S | . | . | trans | -84.8 | -17.4 | -178.8 | -65.2 | -65.9 | 0 | 0 | 0 | 113.6 | R1113 F1157 T1181 N1182 S1186 N1238 | R1113-N1184 WeakPolarHBondContact CD-O 3.24Å; R1113-N1184 PolarHBondContact NH1-O 2.78Å; F1157-N1184 HydrophobicContact CD2-CB 3.65Å; F1157-N1184 HydrophobicContact CE2-CB 3.65Å; T1181-N1184 PolarHBondContact O-ND2 3.26Å; N1182-N1184 VanDerWaalsContact C-N 3.32Å; N1182-N1184 PolarHBondContact O-N 3.3Å; N1184-S1186 PolarHBondContact O-N 3.04Å; N1184-S1186 VanDerWaalsContact O-N 3.16Å; N1184-N1238 PolarHBondContact ND2-ND2 2.62Å; N1184-N1238 PolarHBondContact OD1-ND2 3.28Å | ||
| 1185 | Y | 95.8 | Very high | 93.4 | Very high | 63 Ų | 63 | 61.2 Ų | 61.2 | 25% | 0.247 | 34% | 0.336 | C | S | . | . | trans | 45.8 | 41 | -170.6 | -63.2 | -62.3 | 0 | 0 | 0 | 113.1 | D1110 R1114 L1117 H1118 | D1110-Y1185 HydrophobicContact CB-CD2 3.92Å; D1110-Y1185 HydrophobicContact CB-CE2 3.84Å; R1114-Y1185 HydrophobicContact CG-CD1 3.61Å; R1114-Y1185 HydrophobicContact CG-CD2 4.41Å; R1114-Y1185 HydrophobicContact CG-CE1 4Å; R1114-Y1185 HydrophobicContact CG-CG 3.85Å; L1117-Y1185 WeakPolarHBondContact CD1-O 3.47Å; H1118-Y1185 VanDerWaalsContact NE2-C 3.27Å; H1118-Y1185 PolarHBondContact NE2-O 2.81Å | ||
| 1186 | S | 96.7 | Very high | 93.2 | Very high | 8 Ų | 8 | 60.9 Ų | 60.9 | 6% | 0.056 | 35% | 0.345 | C | S | . | . | trans | -94.5 | 166.9 | -178 | 58.2 | 0 | 0 | 0 | 0 | 112.5 | H1118 C1162 F1165 N1184 | H1118-S1186 PolarHBondContact NE2-O 3.07Å; C1162-S1186 CarbonylContact O-C 3.52Å; C1162-S1186 VanDerWaalsContact O-CA 3.26Å; C1162-S1186 WeakPolarHBondContact O-CA 3.18Å; C1162-S1186 WeakPolarHBondContact O-CB 3.44Å; F1165-S1186 WeakPolarHBondContact O-CB 3.37Å; F1165-S1186 PolarHBondContact O-OG 3.35Å; N1184-S1186 PolarHBondContact O-N 3.04Å; N1184-S1186 VanDerWaalsContact O-N 3.16Å | ||
| 1187 | N | 96.2 | Very high | 93.2 | Very high | 37 Ų | 37 | 57.6 Ų | 57.6 | 20% | 0.198 | 34% | 0.336 | C | S | . | . | trans | -147.3 | 111.5 | 173.2 | -172 | -22.8 | 0 | 0 | 0 | 110.9 | L1117 C1162 V1163 N1166 H1189 | L1117-N1187 HydrophobicContact CB-CB 3.89Å; L1117-N1187 HydrophobicContact CD2-CB 4.5Å; L1117-N1187 PolarHBondContact O-ND2 2.85Å; C1162-N1187 PolarHBondContact O-N 3.01Å; V1163-N1187 CarbonylContact C-O 3.24Å; V1163-N1187 VanDerWaalsContact C-O 3.31Å; V1163-N1187 VanDerWaalsContact CA-O 3.26Å; V1163-N1187 WeakPolarHBondContact CA-O 3.34Å; V1163-N1187 VanDerWaalsContact O-O 3.12Å; N1166-N1187 VanDerWaalsContact OD1-CA 3.24Å; N1166-N1187 WeakPolarHBondContact OD1-CA 3.41Å; N1187-H1189 PolarHBondContact O-CD2 2.94Å; N1187-H1189 PolarHBondContact O-N 3.28Å; N1187-H1189 VanDerWaalsContact O-N 3.14Å; N1187-H1189 WeakPolarHBondContact OD1-CA 3.36Å; N1187-H1189 PolarHBondContact OD1-N 3.08Å | ||
| 1188 | N | 96 | Very high | 93 | Very high | 15 Ų | 15 | 62.5 Ų | 62.5 | 8% | 0.08 | 36% | 0.361 | C | S | . | . | trans | -71.9 | -0.2 | 178.9 | 72.2 | 9.2 | 0 | 0 | 0 | 114.7 | V1163 C1164 N1166 G1190 K1191 E1192 R1204 | V1163-N1188 WeakPolarHBondContact O-CA 3.37Å; C1164-N1188 WeakPolarHBondContact O-CB 3.39Å; N1166-N1188 VanDerWaalsContact ND2-CG 3.32Å; N1166-N1188 PolarHBondContact ND2-ND2 3.47Å; N1166-N1188 PolarHBondContact ND2-OD1 2.88Å; N1166-N1188 PolarHBondContact OD1-N 3.43Å; N1188-G1190 PolarHBondContact O-N 3.13Å; N1188-G1190 WeakPolarHBondContact OD1-CA 3.46Å; N1188-G1190 PolarHBondContact OD1-N 2.86Å; N1188-K1191 PolarHBondContact O-N 3.02Å; N1188-K1191 VanDerWaalsContact O-O 3.13Å; N1188-K1191 PolarHBondContact OD1-N 2.81Å; N1188-E1192 PolarHBondContact ND2-N 3.39Å; N1188-E1192 PolarHBondContact ND2-OE2 2.92Å; N1188-R1204 PolarHBondContact O-NH2 3.27Å | ||
| 1189 | H | 94 | Very high | 92.9 | Very high | 31 Ų | 31 | 58.7 Ų | 58.7 | 14% | 0.144 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | 31.5 | -176.9 | -65.8 | -89 | 0 | 0 | 0 | 114.1 | N1187 L1200 S1207 | N1187-H1189 PolarHBondContact O-CD2 2.94Å; N1187-H1189 PolarHBondContact O-N 3.28Å; N1187-H1189 VanDerWaalsContact O-N 3.14Å; N1187-H1189 WeakPolarHBondContact OD1-CA 3.36Å; N1187-H1189 PolarHBondContact OD1-N 3.08Å; H1189-L1200 HydrophobicContact CB-CD1 3.41Å; H1189-L1200 VanDerWaalsContact CB-CD1 3.41Å; H1189-L1200 WeakPolarHBondContact O-CD1 3.37Å; H1189-S1207 PolarHBondContact CE1-OG 3.21Å; H1189-S1207 PolarHBondContact NE2-OG 3.47Å |
| 1190 | G | 92.7 | Very high | 93 | Very high | 75 Ų | 75 | 58.6 Ų | 58.6 | 77% | 0.773 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.7 | -1.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | N1188 | N1188-G1190 PolarHBondContact O-N 3.13Å; N1188-G1190 WeakPolarHBondContact OD1-CA 3.46Å; N1188-G1190 PolarHBondContact OD1-N 2.86Å |
| 1191 | K | 95.1 | Very high | 93 | Very high | 115 Ų | 115 | 60.6 Ų | 60.6 | 50% | 0.5 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -147.2 | 120.1 | 175.1 | -178.4 | -179.9 | 177.7 | -173.9 | 0 | 111.1 | N1188 L1200 R1204 | N1188-K1191 PolarHBondContact O-N 3.02Å; N1188-K1191 VanDerWaalsContact O-O 3.13Å; N1188-K1191 PolarHBondContact OD1-N 2.81Å; K1191-L1200 HydrophobicContact CB-CD2 3.87Å; K1191-L1200 HydrophobicContact CD-CD2 4.23Å; K1191-R1204 PolarHBondContact O-NH2 3.37Å |
| 1192 | E | 94.7 | Very high | 93.1 | Very high | 61 Ų | 61 | 62.4 Ų | 62.4 | 29% | 0.285 | 36% | 0.364 | S | S | . | . | trans | -65.8 | 141 | 174.2 | -153.9 | 96.7 | 176 | 0 | 0 | 111.5 | C1164 F1165 N1166 H1167 H1169 N1188 | C1164-E1192 CarbonylContact O-C 3.51Å; C1164-E1192 WeakPolarHBondContact O-CA 3.34Å; F1165-E1192 HydrophobicContact CD1-CG 3.86Å; N1166-E1192 PolarHBondContact N-OE1 2.85Å; N1166-E1192 VanDerWaalsContact N-OE1 3.07Å; N1166-E1192 PolarHBondContact N-OE2 3.25Å; H1167-E1192 IonicContact CD2-OE1 2.92Å; H1167-E1192 PolarHBondContact N-OE1 3.2Å; H1169-E1192 IonicContact NE2-OE1 3.94Å; H1169-E1192 PolarHBondContact NE2-OE1 2.92Å; N1188-E1192 PolarHBondContact ND2-N 3.39Å; N1188-E1192 PolarHBondContact ND2-OE2 2.92Å | ||
| 1193 | G | 95.2 | Very high | 93.1 | Very high | 16 Ų | 16 | 62.8 Ų | 62.8 | 17% | 0.165 | 36% | 0.356 | C | S | . | . | S | Bend | trans | 102.6 | 169.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | C1164 G1195 R1204 | C1164-G1193 PolarHBondContact O-N 3.49Å; G1193-G1195 PolarHBondContact O-N 2.83Å; G1193-R1204 PolarHBondContact O-NH1 3.14Å; G1193-R1204 PolarHBondContact O-NH2 3.45Å |
| 1194 | L | 93 | Very high | 93.3 | Very high | 48 Ų | 48 | 58.2 Ų | 58.2 | 25% | 0.251 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -72.8 | -22.5 | -171.2 | -60.5 | 179.5 | 0 | 0 | 0 | 115.2 | R1160 C1164 F1165 S1233 H1235 | R1160-L1194 HydrophobicContact CG-CD2 4.25Å; C1164-L1194 HydrophobicContact CB-CD2 4.15Å; F1165-L1194 HydrophobicContact CE2-CD2 3.93Å; F1165-L1194 HydrophobicContact CE2-CG 4.39Å; F1165-L1194 HydrophobicContact CZ-CD2 4.4Å; F1165-L1194 HydrophobicContact CZ-CG 4.37Å; L1194-S1233 WeakPolarHBondContact CD2-OG 3.49Å; L1194-H1235 VanDerWaalsContact CD1-CE1 3.47Å; L1194-H1235 WeakPolarHBondContact CD1-CE1 3.24Å |
| 1195 | G | 91 | Very high | 93.3 | Very high | 45 Ų | 45 | 64.5 Ų | 64.5 | 46% | 0.464 | 35% | 0.354 | S | S | . | . | trans | -92.1 | 151.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | G1193 | G1193-G1195 PolarHBondContact O-N 2.83Š| ||
| 1196 | G | 87.4 | Confident | 93.2 | Very high | 36 Ų | 36 | 64 Ų | 64 | 37% | 0.371 | 36% | 0.356 | S | S | . | . | trans | -168.9 | 172.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1197 | T | 93.1 | Very high | 93.1 | Very high | 95 Ų | 95 | 63.7 Ų | 63.7 | 58% | 0.583 | 35% | 0.354 | S | S | * | . | trans | -71 | 162 | 164.6 | 55.1 | 0 | 0 | 0 | 0 | 110.1 | D1199 L1200 V1201 | T1197-D1199 VanDerWaalsContact C-N 3.35Å; T1197-D1199 PolarHBondContact O-N 3.19Å; T1197-L1200 WeakPolarHBondContact O-CB 3.22Å; T1197-L1200 PolarHBondContact O-N 3.1Å; T1197-V1201 WeakPolarHBondContact O-CG2 3.43Å; T1197-V1201 PolarHBondContact O-N 2.96Å | ||
| 1198 | L | 91.6 | Very high | 93.1 | Very high | 138 Ų | 138 | 62.8 Ų | 62.8 | 72% | 0.723 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -53.2 | -48.4 | 176.6 | -102.7 | 146.1 | 0 | 0 | 0 | 112.3 | L1200 V1201 E1202 | L1198-L1200 PolarHBondContact O-N 3.06Å; L1198-V1201 PolarHBondContact O-N 2.67Å; L1198-E1202 PolarHBondContact O-N 2.92Å |
| 1199 | D | 90.6 | Very high | 93.1 | Very high | 106 Ų | 106 | 63.8 Ų | 63.8 | 57% | 0.567 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60.2 | -28.4 | 176.7 | -63.5 | -14.4 | 0 | 0 | 0 | 114.1 | T1197 R1203 | T1197-D1199 VanDerWaalsContact C-N 3.35Å; T1197-D1199 PolarHBondContact O-N 3.19Å; D1199-R1203 PolarHBondContact O-N 3.25Å; D1199-R1203 PolarHBondContact O-NE 2.58Å; D1199-R1203 VanDerWaalsContact O-NE 3.15Å |
| 1200 | L | 94 | Very high | 93.2 | Very high | 10 Ų | 10 | 62.4 Ų | 62.4 | 5% | 0.052 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -76.2 | -42.5 | 175.8 | 177.4 | 61 | 0 | 0 | 0 | 110.3 | H1189 K1191 T1197 L1198 E1202 R1203 R1204 | H1189-L1200 HydrophobicContact CB-CD1 3.41Å; H1189-L1200 VanDerWaalsContact CB-CD1 3.41Å; H1189-L1200 WeakPolarHBondContact O-CD1 3.37Å; K1191-L1200 HydrophobicContact CB-CD2 3.87Å; K1191-L1200 HydrophobicContact CD-CD2 4.23Å; T1197-L1200 WeakPolarHBondContact O-CB 3.22Å; T1197-L1200 PolarHBondContact O-N 3.1Å; L1198-L1200 PolarHBondContact O-N 3.06Å; L1200-E1202 VanDerWaalsContact C-N 3.35Å; L1200-R1203 PolarHBondContact O-N 3.35Å; L1200-R1204 WeakPolarHBondContact O-CG 3.38Å; L1200-R1204 PolarHBondContact O-N 3.15Å; L1200-R1204 VanDerWaalsContact O-N 3.08Å |
| 1201 | V | 91.9 | Very high | 93.4 | Very high | 75 Ų | 75 | 58.9 Ų | 58.9 | 46% | 0.455 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 176.9 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | T1197 L1198 R1204 R1205 | T1197-V1201 WeakPolarHBondContact O-CG2 3.43Å; T1197-V1201 PolarHBondContact O-N 2.96Å; L1198-V1201 PolarHBondContact O-N 2.67Å; V1201-R1204 PolarHBondContact O-N 3.16Å; V1201-R1205 WeakPolarHBondContact O-CB 3.49Å; V1201-R1205 PolarHBondContact O-N 3.16Å |
| 1202 | E | 91 | Very high | 93.5 | Very high | 103 Ų | 103 | 53.5 Ų | 53.5 | 48% | 0.481 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63 | -47.7 | 175.8 | -76.6 | -172.4 | 159.6 | 0 | 0 | 112.1 | L1198 L1200 R1204 R1205 D1206 | L1198-E1202 PolarHBondContact O-N 2.92Å; L1200-E1202 VanDerWaalsContact C-N 3.35Å; E1202-R1204 VanDerWaalsContact C-N 3.3Å; E1202-R1204 PolarHBondContact O-N 2.99Å; E1202-R1205 WeakPolarHBondContact O-CA 3.36Å; E1202-R1205 VanDerWaalsContact O-CB 3.27Å; E1202-R1205 WeakPolarHBondContact O-CB 3.31Å; E1202-R1205 PolarHBondContact O-N 3.25Å; E1202-D1206 PolarHBondContact O-N 3.1Å |
| 1203 | R | 91.9 | Very high | 93.7 | Very high | 130 Ų | 130 | 50.7 Ų | 50.7 | 49% | 0.491 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.5 | -40.7 | 176.3 | -82.9 | -177.4 | -78.1 | -173.5 | -5.4 | 113.3 | D1199 L1200 R1205 D1206 S1207 | D1199-R1203 PolarHBondContact O-N 3.25Å; D1199-R1203 PolarHBondContact O-NE 2.58Å; D1199-R1203 VanDerWaalsContact O-NE 3.15Å; L1200-R1203 PolarHBondContact O-N 3.35Å; R1203-R1205 VanDerWaalsContact C-N 3.34Å; R1203-D1206 PolarHBondContact O-N 3.18Å; R1203-S1207 PolarHBondContact O-N 3.46Å; R1203-S1207 VanDerWaalsContact O-N 3.13Å; R1203-S1207 PolarHBondContact O-OG 3.15Å |
| 1204 | R | 94.5 | Very high | 93.8 | Very high | 12 Ų | 12 | 50.1 Ų | 50.1 | 5% | 0.045 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.9 | -41 | 174.3 | -73.3 | 176.4 | 175.3 | 179.5 | -1.5 | 111.6 | V1163 C1164 N1188 K1191 G1193 L1200 V1201 E1202 D1206 S1207 I1208 | V1163-R1204 HydrophobicContact CB-CB 4.29Å; V1163-R1204 HydrophobicContact CB-CG 4.12Å; V1163-R1204 HydrophobicContact CG2-CB 3.9Å; V1163-R1204 HydrophobicContact CG2-CG 4.05Å; V1163-R1204 WeakPolarHBondContact O-CD 3.32Å; V1163-R1204 WeakPolarHBondContact O-CG 3.48Å; V1163-R1204 PolarHBondContact O-NE 3.38Å; C1164-R1204 PolarHBondContact SG-NH1 3.48Å; N1188-R1204 PolarHBondContact O-NH2 3.27Å; K1191-R1204 PolarHBondContact O-NH2 3.37Å; G1193-R1204 PolarHBondContact O-NH1 3.14Å; G1193-R1204 PolarHBondContact O-NH2 3.45Å; L1200-R1204 WeakPolarHBondContact O-CG 3.38Å; L1200-R1204 PolarHBondContact O-N 3.15Å; L1200-R1204 VanDerWaalsContact O-N 3.08Å; V1201-R1204 PolarHBondContact O-N 3.16Å; E1202-R1204 VanDerWaalsContact C-N 3.3Å; E1202-R1204 PolarHBondContact O-N 2.99Å; R1204-D1206 VanDerWaalsContact C-N 3.32Å; R1204-D1206 PolarHBondContact O-N 3.09Å; R1204-S1207 PolarHBondContact O-N 3.03Å; R1204-I1208 VanDerWaalsContact O-CG1 3.3Å; R1204-I1208 WeakPolarHBondContact O-CG1 3.28Å; R1204-I1208 PolarHBondContact O-N 3.34Å |
| 1205 | R | 93.1 | Very high | 94 | Very high | 136 Ų | 136 | 47.9 Ų | 47.9 | 51% | 0.513 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 175.9 | -165.1 | -169.1 | 87.8 | 172 | 8 | 111.2 | V1201 E1202 R1203 I1208 H1209 | V1201-R1205 WeakPolarHBondContact O-CB 3.49Å; V1201-R1205 PolarHBondContact O-N 3.16Å; E1202-R1205 WeakPolarHBondContact O-CA 3.36Å; E1202-R1205 VanDerWaalsContact O-CB 3.27Å; E1202-R1205 WeakPolarHBondContact O-CB 3.31Å; E1202-R1205 PolarHBondContact O-N 3.25Å; R1203-R1205 VanDerWaalsContact C-N 3.34Å; R1205-I1208 PolarHBondContact O-N 2.92Å; R1205-H1209 WeakPolarHBondContact O-CB 3.1Å; R1205-H1209 PolarHBondContact O-CD2 3.05Å; R1205-H1209 PolarHBondContact O-N 2.93Å |
| 1206 | D | 92.6 | Very high | 94.3 | Very high | 53 Ų | 53 | 45.8 Ų | 45.8 | 28% | 0.283 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.3 | -44.4 | 179.2 | -64.7 | -23.5 | 0 | 0 | 0 | 111.3 | E1202 R1203 R1204 I1208 H1209 A1210 H1362 | E1202-D1206 PolarHBondContact O-N 3.1Å; R1203-D1206 PolarHBondContact O-N 3.18Å; R1204-D1206 VanDerWaalsContact C-N 3.32Å; R1204-D1206 PolarHBondContact O-N 3.09Å; D1206-I1208 PolarHBondContact O-N 3.05Å; D1206-H1209 PolarHBondContact O-N 2.85Å; D1206-A1210 VanDerWaalsContact O-CB 3.3Å; D1206-A1210 WeakPolarHBondContact O-CB 3.49Å; D1206-A1210 PolarHBondContact O-N 3.5Å; D1206-H1362 HydrophobicContact CB-CB 4.44Å |
| 1207 | S | 95.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.3 | -44.8 | 172.6 | -66.4 | 0 | 0 | 0 | 0 | 112.9 | H1189 R1203 R1204 A1210 L1211 | H1189-S1207 PolarHBondContact CE1-OG 3.21Å; H1189-S1207 PolarHBondContact NE2-OG 3.47Å; R1203-S1207 PolarHBondContact O-N 3.46Å; R1203-S1207 VanDerWaalsContact O-N 3.13Å; R1203-S1207 PolarHBondContact O-OG 3.15Å; R1204-S1207 PolarHBondContact O-N 3.03Å; S1207-A1210 PolarHBondContact O-N 2.93Å; S1207-L1211 WeakPolarHBondContact O-CB 3.44Å; S1207-L1211 WeakPolarHBondContact O-CG 3.46Å; S1207-L1211 PolarHBondContact O-N 3.22Å |
| 1208 | I | 96.5 | Very high | 95 | Very high | 18 Ų | 18 | 39.6 Ų | 39.6 | 9% | 0.092 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.1 | -48.7 | 177.4 | -73.1 | 169.3 | 0 | 0 | 0 | 110.5 | L1159 V1163 R1204 R1205 D1206 A1210 L1211 L1212 L1259 | L1159-I1208 HydrophobicContact CD2-CG2 3.85Å; L1159-I1208 HydrophobicContact CG-CG1 4.3Å; L1159-I1208 HydrophobicContact CG-CG2 4.42Å; V1163-I1208 HydrophobicContact CG1-CG1 4.26Å; V1163-I1208 HydrophobicContact CG2-CD1 3.81Å; V1163-I1208 HydrophobicContact CG2-CG1 3.92Å; R1204-I1208 VanDerWaalsContact O-CG1 3.3Å; R1204-I1208 WeakPolarHBondContact O-CG1 3.28Å; R1204-I1208 PolarHBondContact O-N 3.34Å; R1205-I1208 PolarHBondContact O-N 2.92Å; D1206-I1208 PolarHBondContact O-N 3.05Å; I1208-A1210 VanDerWaalsContact C-N 3.28Å; I1208-A1210 PolarHBondContact O-N 2.93Å; I1208-L1211 PolarHBondContact O-N 3.41Å; I1208-L1212 HydrophobicContact CG2-CD1 3.88Å; I1208-L1212 WeakPolarHBondContact O-CB 3.09Å; I1208-L1212 PolarHBondContact O-N 2.65Å; I1208-L1259 HydrophobicContact CG2-CD1 3.69Å; I1208-L1259 HydrophobicContact CG2-CD2 4.13Å |
| 1209 | H | 95.7 | Very high | 95.3 | Very high | 36 Ų | 36 | 33.3 Ų | 33.3 | 17% | 0.167 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.5 | -39.2 | 178.6 | -74.8 | -165.4 | 0 | 0 | 0 | 111.7 | R1205 D1206 T1213 F1262 | R1205-H1209 WeakPolarHBondContact O-CB 3.1Å; R1205-H1209 PolarHBondContact O-CD2 3.05Å; R1205-H1209 PolarHBondContact O-N 2.93Å; D1206-H1209 PolarHBondContact O-N 2.85Å; H1209-T1213 WeakPolarHBondContact O-CB 3.47Å; H1209-T1213 PolarHBondContact O-N 2.97Å; H1209-T1213 PolarHBondContact O-OG1 2.85Å; H1209-F1262 HydrophobicContact CB-CE1 3.89Å; H1209-F1262 HydrophobicContact CB-CE2 4.44Å; H1209-F1262 HydrophobicContact CB-CZ 3.74Å; H1209-F1262 AromaticContact CD2-CD1 3.98Å; H1209-F1262 AromaticContact CD2-CE1 3.95Å; H1209-F1262 AromaticContact CE1-CD2 3.94Å; H1209-F1262 AromaticContact CG-CE1 3.81Å; H1209-F1262 AromaticContact CG-CZ 3.72Å; H1209-F1262 AromaticContact ND1-CE2 3.74Å; H1209-F1262 AromaticContact ND1-CZ 3.9Å |
| 1210 | A | 95.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 2% | 0.017 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.4 | -45.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | W1116 D1206 S1207 I1208 T1214 L1364 | W1116-A1210 HydrophobicContact CD2-CB 3.57Å; W1116-A1210 HydrophobicContact CE3-CB 3.65Å; W1116-A1210 HydrophobicContact CG-CB 4.15Å; W1116-A1210 HydrophobicContact CH2-CB 3.85Å; W1116-A1210 HydrophobicContact CZ2-CB 3.83Å; W1116-A1210 HydrophobicContact CZ3-CB 3.77Å; D1206-A1210 VanDerWaalsContact O-CB 3.3Å; D1206-A1210 WeakPolarHBondContact O-CB 3.49Å; D1206-A1210 PolarHBondContact O-N 3.5Å; S1207-A1210 PolarHBondContact O-N 2.93Å; I1208-A1210 VanDerWaalsContact C-N 3.28Å; I1208-A1210 PolarHBondContact O-N 2.93Å; A1210-T1214 WeakPolarHBondContact O-CB 3.47Å; A1210-T1214 PolarHBondContact O-N 2.82Å; A1210-T1214 PolarHBondContact O-OG1 3Å; A1210-L1364 HydrophobicContact CB-CD2 4.15Å |
| 1211 | L | 97.5 | Very high | 95.8 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.8 | -46.8 | 177.4 | -72.8 | 167.7 | 0 | 0 | 0 | 112 | A1112 W1116 L1117 V1151 L1159 S1207 I1208 T1213 T1214 L1215 | A1112-L1211 HydrophobicContact CB-CD2 4.28Å; W1116-L1211 HydrophobicContact CB-CD2 4.29Å; L1117-L1211 HydrophobicContact CD1-CD1 4.25Å; L1117-L1211 HydrophobicContact CD2-CD1 4.46Å; L1117-L1211 HydrophobicContact CG-CD1 4.47Å; V1151-L1211 HydrophobicContact CG1-CB 4.28Å; V1151-L1211 HydrophobicContact CG1-CD1 4.4Å; V1151-L1211 HydrophobicContact CG1-CD2 4.08Å; V1151-L1211 HydrophobicContact CG1-CG 4.49Å; L1159-L1211 HydrophobicContact CD1-CB 4Å; L1159-L1211 HydrophobicContact CD1-CD1 3.71Å; S1207-L1211 WeakPolarHBondContact O-CB 3.44Å; S1207-L1211 WeakPolarHBondContact O-CG 3.46Å; S1207-L1211 PolarHBondContact O-N 3.22Å; I1208-L1211 PolarHBondContact O-N 3.41Å; L1211-T1213 PolarHBondContact O-N 2.92Å; L1211-T1214 PolarHBondContact O-N 2.78Å; L1211-L1215 WeakPolarHBondContact O-CB 3.23Å; L1211-L1215 PolarHBondContact O-N 2.77Å |
| 1212 | L | 97.9 | Very high | 96.1 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.6 | -42.4 | 176.8 | -79.6 | 167 | 0 | 0 | 0 | 112.2 | L1159 I1208 T1214 L1215 L1216 L1224 L1259 F1262 T1263 L1266 | L1159-L1212 HydrophobicContact CD2-CD1 3.95Å; L1159-L1212 HydrophobicContact CD2-CD2 3.97Å; L1159-L1212 HydrophobicContact CD2-CG 3.63Å; I1208-L1212 HydrophobicContact CG2-CD1 3.88Å; I1208-L1212 WeakPolarHBondContact O-CB 3.09Å; I1208-L1212 PolarHBondContact O-N 2.65Å; L1212-T1214 VanDerWaalsContact C-N 3.34Å; L1212-L1215 PolarHBondContact O-N 2.61Å; L1212-L1216 WeakPolarHBondContact O-CB 3.41Å; L1212-L1216 WeakPolarHBondContact O-CG 3.34Å; L1212-L1216 PolarHBondContact O-N 3.22Å; L1212-L1224 HydrophobicContact CD2-CD1 3.69Å; L1212-L1259 HydrophobicContact CD1-CD1 3.76Å; L1212-F1262 HydrophobicContact CB-CE1 4.46Å; L1212-T1263 HydrophobicContact CD2-CG2 4.45Å; L1212-L1266 HydrophobicContact CB-CD1 4.03Å |
| 1213 | T | 97.2 | Very high | 96.5 | Very high | 3 Ų | 3 | 19.6 Ų | 19.6 | 2% | 0.018 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.6 | -41.6 | 177.2 | -55 | 0 | 0 | 0 | 0 | 111.1 | H1209 L1211 L1215 L1217 L1266 F1345 L1364 | H1209-T1213 WeakPolarHBondContact O-CB 3.47Å; H1209-T1213 PolarHBondContact O-N 2.97Å; H1209-T1213 PolarHBondContact O-OG1 2.85Å; L1211-T1213 PolarHBondContact O-N 2.92Å; T1213-L1215 PolarHBondContact O-N 3.17Å; T1213-L1217 HydrophobicContact CG2-CD1 3.63Å; T1213-L1217 HydrophobicContact CG2-CG 4.08Å; T1213-L1217 VanDerWaalsContact O-CB 3.31Å; T1213-L1217 WeakPolarHBondContact O-CB 3.44Å; T1213-L1217 PolarHBondContact O-N 3.08Å; T1213-L1266 HydrophobicContact CG2-CD2 4.08Å; T1213-F1345 HydrophobicContact CG2-CZ 3.92Å; T1213-L1364 HydrophobicContact CG2-CD1 3.41Å; T1213-L1364 VanDerWaalsContact CG2-CD1 3.41Å; T1213-L1364 HydrophobicContact CG2-CD2 4.06Å; T1213-L1364 HydrophobicContact CG2-CG 4.41Å |
| 1214 | T | 97.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 13.5 Ų | 13.5 | 2% | 0.018 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -59.9 | -47.2 | 177 | -59.2 | 0 | 0 | 0 | 0 | 110.7 | F1108 A1112 W1116 F1126 F1130 A1210 L1211 L1212 S1218 | F1108-T1214 HydrophobicContact CZ-CG2 4.02Å; A1112-T1214 HydrophobicContact CB-CG2 4.22Å; W1116-T1214 PolarHBondContact NE1-OG1 2.93Å; F1126-T1214 HydrophobicContact CE2-CG2 3.72Å; F1126-T1214 HydrophobicContact CZ-CG2 3.78Å; F1130-T1214 HydrophobicContact CD2-CG2 4.11Å; F1130-T1214 HydrophobicContact CE2-CG2 4.41Å; A1210-T1214 WeakPolarHBondContact O-CB 3.47Å; A1210-T1214 PolarHBondContact O-N 2.82Å; A1210-T1214 PolarHBondContact O-OG1 3Å; L1211-T1214 PolarHBondContact O-N 2.78Å; L1212-T1214 VanDerWaalsContact C-N 3.34Å; T1214-S1218 WeakPolarHBondContact O-CB 3.43Å; T1214-S1218 PolarHBondContact O-N 2.86Å; T1214-S1218 PolarHBondContact O-OG 2.74Å |
| 1215 | L | 98.2 | Very high | 96.9 | Very high | 2 Ų | 2 | 13.6 Ų | 13.6 | 1% | 0.01 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -58.8 | -59.7 | 176.4 | 175.5 | 60.4 | 0 | 0 | 0 | 111.8 | F1108 N1149 V1151 L1211 L1212 T1213 L1217 S1218 P1222 M1223 L1224 | F1108-L1215 HydrophobicContact CE1-CB 4.5Å; F1108-L1215 HydrophobicContact CE1-CD1 4.08Å; N1149-L1215 HydrophobicContact CB-CD1 4.14Å; N1149-L1215 WeakPolarHBondContact O-CD1 3.32Å; V1151-L1215 HydrophobicContact CG2-CB 3.91Å; V1151-L1215 HydrophobicContact CG2-CD1 4.43Å; V1151-L1215 HydrophobicContact CG2-CD2 4.3Å; V1151-L1215 HydrophobicContact CG2-CG 4.45Å; L1211-L1215 WeakPolarHBondContact O-CB 3.23Å; L1211-L1215 PolarHBondContact O-N 2.77Å; L1212-L1215 PolarHBondContact O-N 2.61Å; T1213-L1215 PolarHBondContact O-N 3.17Å; L1215-L1217 VanDerWaalsContact C-N 3.34Å; L1215-L1217 PolarHBondContact O-N 3.12Å; L1215-S1218 PolarHBondContact O-N 2.98Å; L1215-S1218 PolarHBondContact O-OG 2.98Å; L1215-P1222 HydrophobicContact CD1-CB 4.14Å; L1215-P1222 HydrophobicContact CG-CB 4.32Å; L1215-M1223 WeakPolarHBondContact CD2-O 3.28Å; L1215-L1224 HydrophobicContact CD2-CD1 4.04Å |
| 1216 | L | 98 | Very high | 97.1 | Very high | 1 Ų | 1 | 7.7 Ų | 7.7 | 1% | 0.005 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -75 | -23.3 | -168.1 | -67 | 169.4 | 0 | 0 | 0 | 113.1 | L1212 P1222 T1263 L1266 I1267 R1270 | L1212-L1216 WeakPolarHBondContact O-CB 3.41Å; L1212-L1216 WeakPolarHBondContact O-CG 3.34Å; L1212-L1216 PolarHBondContact O-N 3.22Å; L1216-P1222 HydrophobicContact CD2-CB 4.21Å; L1216-P1222 HydrophobicContact CD2-CG 4.46Å; L1216-T1263 HydrophobicContact CD1-CG2 3.96Å; L1216-L1266 HydrophobicContact CB-CB 4.17Å; L1216-L1266 HydrophobicContact CD1-CB 3.65Å; L1216-L1266 HydrophobicContact CD1-CD1 3.93Å; L1216-L1266 HydrophobicContact CD1-CG 4.48Å; L1216-I1267 HydrophobicContact CD1-CG1 3.99Å; L1216-I1267 HydrophobicContact CD2-CD1 4.49Å; L1216-I1267 HydrophobicContact CD2-CG1 3.78Å; L1216-I1267 HydrophobicContact CG-CG1 4.47Å; L1216-R1270 WeakPolarHBondContact O-CD 3.48Å; L1216-R1270 VanDerWaalsContact O-CG 3.24Å; L1216-R1270 WeakPolarHBondContact O-CG 3.34Å; L1216-R1270 PolarHBondContact O-NH1 3.28Å |
| 1217 | L | 97.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.029 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 12.6 | 178.1 | -54.4 | -172.7 | 0 | 0 | 0 | 114.3 | F1130 T1213 L1215 L1266 L1269 R1270 I1273 L1276 I1321 V1366 | F1130-L1217 VanDerWaalsContact CE1-O 3.24Å; F1130-L1217 WeakPolarHBondContact CE1-O 3.45Å; F1130-L1217 HydrophobicContact CZ-CB 4.46Å; F1130-L1217 WeakPolarHBondContact CZ-O 3.2Å; T1213-L1217 HydrophobicContact CG2-CD1 3.63Å; T1213-L1217 HydrophobicContact CG2-CG 4.08Å; T1213-L1217 VanDerWaalsContact O-CB 3.31Å; T1213-L1217 WeakPolarHBondContact O-CB 3.44Å; T1213-L1217 PolarHBondContact O-N 3.08Å; L1215-L1217 VanDerWaalsContact C-N 3.34Å; L1215-L1217 PolarHBondContact O-N 3.12Å; L1217-L1266 HydrophobicContact CD1-CD2 4.17Å; L1217-L1266 HydrophobicContact CG-CD2 4.35Å; L1217-L1269 HydrophobicContact CD1-CD2 4.14Å; L1217-L1269 HydrophobicContact CD2-CD2 4.44Å; L1217-L1269 HydrophobicContact CD2-CG 4.31Å; L1217-R1270 HydrophobicContact CD2-CB 4.04Å; L1217-I1273 HydrophobicContact CD2-CD1 4.29Å; L1217-L1276 HydrophobicContact CB-CD1 4.22Å; L1217-L1276 HydrophobicContact CD2-CD1 4.24Å; L1217-L1276 WeakPolarHBondContact O-CD1 3.31Å; L1217-L1276 VanDerWaalsContact O-CD2 3.26Å; L1217-L1276 WeakPolarHBondContact O-CD2 3.38Å; L1217-I1321 HydrophobicContact CB-CD1 3.98Å; L1217-I1321 HydrophobicContact CD1-CD1 4.11Å; L1217-V1366 HydrophobicContact CD1-CG2 3.74Å |
| 1218 | S | 97.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.03 | C | C | . | . | S | Bend | trans | -87 | 156.4 | 173.1 | 62.9 | 0 | 0 | 0 | 0 | 113.3 | F1108 F1130 N1149 T1214 L1215 R1270 | F1108-S1218 WeakPolarHBondContact CE2-OG 3.3Å; F1130-S1218 WeakPolarHBondContact O-CB 3.35Å; N1149-S1218 PolarHBondContact ND2-OG 3.36Å; T1214-S1218 WeakPolarHBondContact O-CB 3.43Å; T1214-S1218 PolarHBondContact O-N 2.86Å; T1214-S1218 PolarHBondContact O-OG 2.74Å; L1215-S1218 PolarHBondContact O-N 2.98Å; L1215-S1218 PolarHBondContact O-OG 2.98Å; S1218-R1270 PolarHBondContact O-NH1 2.91Å |
| 1219 | Q | 97.4 | Very high | 97.5 | Very high | 6 Ų | 6 | 4.5 Ų | 4.5 | 3% | 0.028 | 3% | 0.026 | C | C | . | . | B | Isolated β-bridge | trans | -70.2 | 148.3 | 169.5 | -164.8 | -178.5 | 28.8 | 0 | 0 | 110.2 | F1130 A1131 A1132 P1144 N1149 R1280 W1282 | F1130-Q1219 PolarHBondContact O-N 3.24Å; A1131-Q1219 PolarHBondContact O-OE1 2.83Å; A1132-Q1219 WeakPolarHBondContact CA-O 3.48Å; A1132-Q1219 HydrophobicContact CB-CB 3.95Å; A1132-Q1219 HydrophobicContact CB-CG 3.97Å; A1132-Q1219 VanDerWaalsContact CB-O 3.31Å; A1132-Q1219 WeakPolarHBondContact CB-O 3.43Å; A1132-Q1219 PolarHBondContact N-O 2.82Å; P1144-Q1219 HydrophobicContact CB-CG 3.86Å; P1144-Q1219 HydrophobicContact CG-CG 4.32Å; N1149-Q1219 PolarHBondContact ND2-O 3.11Å; Q1219-R1280 PolarHBondContact NE2-O 2.88Å; Q1219-W1282 HydrophobicContact CB-CH2 3.66Å; Q1219-W1282 HydrophobicContact CB-CZ2 3.64Å; Q1219-W1282 HydrophobicContact CB-CZ3 4.1Å; Q1219-W1282 HydrophobicContact CG-CD2 4.44Å; Q1219-W1282 HydrophobicContact CG-CH2 4.46Å; Q1219-W1282 HydrophobicContact CG-CZ2 3.99Å |
| 1220 | G | 96.7 | Very high | 97.3 | Very high | 5 Ų | 5 | 3.1 Ų | 3.1 | 5% | 0.052 | 2% | 0.019 | C | C | . | . | S | Bend | trans | 106.2 | -176.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | R1270 | G1220-R1270 PolarHBondContact O-NH2 3.48Š|
| 1221 | T | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 3.5 Ų | 3.5 | 0% | 0 | 2% | 0.024 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 116.2 | -179.3 | -52.3 | 0 | 0 | 0 | 0 | 109.4 | W860 T863 I865 A1147 I1148 N1149 | W860-T1221 HydrophobicContact CE3-CG2 4.12Å; W860-T1221 HydrophobicContact CZ3-CG2 4.14Å; T863-T1221 HydrophobicContact CG2-CG2 4.08Å; I865-T1221 HydrophobicContact CD1-CG2 4.03Å; I865-T1221 HydrophobicContact CG1-CG2 4.22Å; A1147-T1221 PolarHBondContact O-N 3.17Å; I1148-T1221 CarbonylContact C-O 3.55Å; I1148-T1221 WeakPolarHBondContact CA-O 3.23Å; I1148-T1221 HydrophobicContact CD1-CG2 3.98Å; N1149-T1221 PolarHBondContact N-O 2.77Å |
| 1222 | P | 98.5 | Very high | 97.2 | Very high | 1 Ų | 1 | 4.5 Ų | 4.5 | 1% | 0.006 | 3% | 0.029 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 138.8 | 179.5 | 31.8 | -34.7 | 0 | 0 | 0 | 111.7 | I864 I865 N1149 L1215 L1216 | I864-P1222 HydrophobicContact CD1-CG 3.48Å; I864-P1222 VanDerWaalsContact CD1-CG 3.48Å; I865-P1222 PolarHBondContact N-O 3.41Å; N1149-P1222 WeakPolarHBondContact O-CA 3.47Å; L1215-P1222 HydrophobicContact CD1-CB 4.14Å; L1215-P1222 HydrophobicContact CG-CB 4.32Å; L1216-P1222 HydrophobicContact CD2-CB 4.21Å; L1216-P1222 HydrophobicContact CD2-CG 4.46Å |
| 1223 | M | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 3% | 0.031 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 132.8 | 171.3 | -177 | -173.7 | 100.6 | 0 | 0 | 110.1 | I865 E867 W1104 I1148 N1149 L1150 A1153 L1215 | I865-M1223 HydrophobicContact CB-CB 4.12Å; I865-M1223 HydrophobicContact CB-CG 4.04Å; I865-M1223 HydrophobicContact CG2-CB 4.45Å; I865-M1223 HydrophobicContact CG2-CG 3.85Å; I865-M1223 WeakPolarHBondContact O-CA 3.44Å; E867-M1223 HydrophobicContact CB-CE 4.39Å; E867-M1223 HydrophobicContact CB-CG 4.43Å; E867-M1223 HydrophobicContact CB-SD 4.43Å; W1104-M1223 HydrophobicContact CH2-CE 4.48Å; W1104-M1223 HydrophobicContact CZ2-CE 3.74Å; W1104-M1223 HydrophobicContact CZ2-SD 3.96Å; W1104-M1223 PolarHBondContact NE1-SD 3.08Å; W1104-M1223 VanDerWaalsContact NE1-SD 3.42Å; I1148-M1223 HydrophobicContact CG2-CB 3.76Å; I1148-M1223 HydrophobicContact CG2-SD 4.33Å; N1149-M1223 PolarHBondContact O-N 2.73Å; L1150-M1223 HydrophobicContact CB-CB 4.37Å; L1150-M1223 HydrophobicContact CB-CE 3.94Å; L1150-M1223 HydrophobicContact CD1-CE 3.8Å; L1150-M1223 HydrophobicContact CG-CE 4.43Å; A1153-M1223 HydrophobicContact CB-CE 3.88Å; L1215-M1223 WeakPolarHBondContact CD2-O 3.28Å |
| 1224 | L | 98.1 | Very high | 97 | Very high | 2 Ų | 2 | 5.5 Ų | 5.5 | 1% | 0.01 | 3% | 0.034 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 128.4 | 178 | -161.6 | 80.9 | 0 | 0 | 0 | 109.6 | I865 Y866 E867 L1212 L1215 E1229 T1263 | I865-L1224 PolarHBondContact O-N 3.31Å; Y866-L1224 CarbonylContact C-O 3.59Å; Y866-L1224 WeakPolarHBondContact CA-O 3.37Å; Y866-L1224 HydrophobicContact CD2-CB 4.3Å; Y866-L1224 HydrophobicContact CD2-CD2 4.03Å; Y866-L1224 HydrophobicContact CE2-CD2 4.03Å; E867-L1224 PolarHBondContact N-O 2.98Å; L1212-L1224 HydrophobicContact CD2-CD1 3.69Å; L1215-L1224 HydrophobicContact CD2-CD1 4.04Å; L1224-E1229 HydrophobicContact CD2-CB 4.2Å; L1224-T1263 HydrophobicContact CD1-CG2 4.49Å; L1224-T1263 HydrophobicContact CD2-CG2 3.98Å |
| 1225 | L | 98.1 | Very high | 97 | Very high | 15 Ų | 15 | 10.3 Ų | 10.3 | 8% | 0.079 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 130.3 | 170.3 | 173.7 | 65.3 | 0 | 0 | 0 | 109.8 | E867 A1153 H1154 T1158 G1227 D1228 | E867-L1225 WeakPolarHBondContact OE2-CD1 3.29Å; A1153-L1225 WeakPolarHBondContact O-CD2 3.47Å; H1154-L1225 HydrophobicContact CB-CD1 4.31Å; T1158-L1225 HydrophobicContact CG2-CD2 4.42Å; L1225-G1227 PolarHBondContact O-N 3.05Å; L1225-D1228 WeakPolarHBondContact O-CB 3.14Å; L1225-D1228 PolarHBondContact O-N 2.97Å; L1225-D1228 VanDerWaalsContact O-N 3.16Å |
| 1226 | A | 97.8 | Very high | 96.9 | Very high | 12 Ų | 12 | 10.2 Ų | 10.2 | 10% | 0.099 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 128.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y866 E867 A868 L873 L1250 | Y866-A1226 HydrophobicContact CD1-CB 4.25Å; Y866-A1226 HydrophobicContact CE1-CB 3.42Å; Y866-A1226 VanDerWaalsContact CE1-CB 3.42Å; Y866-A1226 HydrophobicContact CE2-CB 4.29Å; Y866-A1226 VanDerWaalsContact CZ-CA 3.47Å; Y866-A1226 VanDerWaalsContact CZ-CB 3.45Å; Y866-A1226 WeakPolarHBondContact OH-CA 3.41Å; Y866-A1226 WeakPolarHBondContact OH-CB 3.27Å; E867-A1226 WeakPolarHBondContact O-CB 3.24Å; E867-A1226 PolarHBondContact O-N 2.87Å; A868-A1226 HydrophobicContact CB-CB 3.79Å; L873-A1226 HydrophobicContact CD1-CB 4.35Å; A1226-L1250 HydrophobicContact CB-CD1 4.17Å |
| 1227 | G | 96.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 109 | -29.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1225 E1229 H1230 G1231 H1232 | L1225-G1227 PolarHBondContact O-N 3.05Å; G1227-E1229 VanDerWaalsContact C-N 3.33Å; G1227-E1229 PolarHBondContact N-OE2 2.94Å; G1227-E1229 PolarHBondContact O-N 3.26Å; G1227-H1230 WeakPolarHBondContact CA-CD2 3.49Å; G1227-H1230 WeakPolarHBondContact CA-NE2 3.48Å; G1227-H1230 PolarHBondContact N-NE2 2.77Å; G1227-H1230 VanDerWaalsContact N-NE2 3.18Å; G1227-H1230 PolarHBondContact O-CD2 2.92Å; G1227-H1230 VanDerWaalsContact O-CD2 3.29Å; G1227-H1230 PolarHBondContact O-N 3.21Å; G1227-G1231 PolarHBondContact O-N 2.67Å; G1227-H1232 WeakPolarHBondContact O-CB 3.5Å; G1227-H1232 PolarHBondContact O-N 2.76Å |
| 1228 | D | 97.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 10.4 Ų | 10.4 | 2% | 0.016 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -32.9 | -174.8 | -78.9 | -11.8 | 0 | 0 | 0 | 112.7 | T1152 L1159 L1225 H1230 L1259 | T1152-D1228 WeakPolarHBondContact CB-OD2 3.43Å; T1152-D1228 PolarHBondContact OG1-OD2 3.25Å; L1159-D1228 HydrophobicContact CB-CB 3.88Å; L1159-D1228 VanDerWaalsContact CB-OD1 3.31Å; L1159-D1228 WeakPolarHBondContact CB-OD1 3.38Å; L1159-D1228 WeakPolarHBondContact CB-OD2 3.4Å; L1159-D1228 HydrophobicContact CD2-CB 4.32Å; L1159-D1228 PolarHBondContact N-OD1 3.05Å; L1225-D1228 WeakPolarHBondContact O-CB 3.14Å; L1225-D1228 PolarHBondContact O-N 2.97Å; L1225-D1228 VanDerWaalsContact O-N 3.16Å; D1228-H1230 PolarHBondContact O-N 2.83Å; D1228-L1259 WeakPolarHBondContact O-CD2 3.41Å |
| 1229 | E | 97 | Very high | 96.7 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -10.8 | 176.6 | 76.5 | -80.7 | -163.9 | 0 | 0 | 114.4 | Y866 Y899 L903 L1224 G1227 L1259 T1260 T1263 | Y866-E1229 VanDerWaalsContact CE2-OE1 3.3Å; Y866-E1229 WeakPolarHBondContact CE2-OE1 3.34Å; Y866-E1229 VanDerWaalsContact CZ-OE1 3.3Å; Y866-E1229 PolarHBondContact OH-OE1 2.85Å; Y899-E1229 VanDerWaalsContact OH-CD 3.3Å; Y899-E1229 VanDerWaalsContact OH-CG 3.24Å; Y899-E1229 WeakPolarHBondContact OH-CG 3.38Å; Y899-E1229 PolarHBondContact OH-OE1 2.86Å; L903-E1229 HydrophobicContact CD1-CG 4.05Å; L903-E1229 HydrophobicContact CD2-CB 4.24Å; L903-E1229 HydrophobicContact CD2-CG 4.03Å; L1224-E1229 HydrophobicContact CD2-CB 4.2Å; G1227-E1229 VanDerWaalsContact C-N 3.33Å; G1227-E1229 PolarHBondContact N-OE2 2.94Å; G1227-E1229 PolarHBondContact O-N 3.26Å; E1229-L1259 CarbonylContact O-C 3.51Å; E1229-L1259 WeakPolarHBondContact O-CB 3.4Å; E1229-L1259 WeakPolarHBondContact O-CG 3.11Å; E1229-T1260 HydrophobicContact CG-CG2 4.26Å; E1229-T1260 WeakPolarHBondContact O-CA 3.11Å; E1229-T1260 PolarHBondContact O-N 2.85Å; E1229-T1260 PolarHBondContact O-OG1 2.99Å; E1229-T1263 HydrophobicContact CB-CG2 3.78Å |
| 1230 | H | 92.7 | Very high | 96.6 | Very high | 7 Ų | 7 | 11.2 Ų | 11.2 | 3% | 0.032 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | -1.8 | -178.5 | 33.6 | 162.2 | 0 | 0 | 0 | 112.3 | G1227 D1228 W1252 A1255 S1256 | G1227-H1230 WeakPolarHBondContact CA-CD2 3.49Å; G1227-H1230 WeakPolarHBondContact CA-NE2 3.48Å; G1227-H1230 PolarHBondContact N-NE2 2.77Å; G1227-H1230 VanDerWaalsContact N-NE2 3.18Å; G1227-H1230 PolarHBondContact O-CD2 2.92Å; G1227-H1230 VanDerWaalsContact O-CD2 3.29Å; G1227-H1230 PolarHBondContact O-N 3.21Å; D1228-H1230 PolarHBondContact O-N 2.83Å; H1230-W1252 AromaticContact CE1-CH2 3.98Å; H1230-A1255 HydrophobicContact CB-CB 3.67Å; H1230-S1256 WeakPolarHBondContact O-CB 3.38Å; H1230-S1256 PolarHBondContact O-N 3.36Å |
| 1231 | G | 94.9 | Very high | 96.6 | Very high | 11 Ų | 11 | 12.3 Ų | 12.3 | 11% | 0.113 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 38.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1160 G1227 | R1160-G1231 WeakPolarHBondContact CD-O 2.94Å; R1160-G1231 PolarHBondContact NH1-O 2.98Å; G1227-G1231 PolarHBondContact O-N 2.67Å |
| 1232 | H | 95.8 | Very high | 96.5 | Very high | 22 Ų | 22 | 12.4 Ų | 12.4 | 10% | 0.102 | 6% | 0.064 | C | C | . | . | trans | -62.5 | 152.1 | 169.3 | -175.6 | 59.4 | 0 | 0 | 0 | 110.8 | T1158 R1160 G1227 W1249 L1250 | T1158-H1232 PolarHBondContact OG1-O 3.46Å; R1160-H1232 WeakPolarHBondContact CB-O 3.27Å; G1227-H1232 WeakPolarHBondContact O-CB 3.5Å; G1227-H1232 PolarHBondContact O-N 2.76Å; H1232-W1249 PolarHBondContact CE1-O 3.3Å; H1232-L1250 HydrophobicContact CB-CD2 3.83Å; H1232-L1250 VanDerWaalsContact CG-CD2 3.48Å | ||
| 1233 | S | 95.4 | Very high | 96.4 | Very high | 9 Ų | 9 | 12.8 Ų | 12.8 | 6% | 0.063 | 7% | 0.066 | C | C | . | . | trans | -145 | 139.8 | 177.6 | 165.4 | 0 | 0 | 0 | 0 | 108.5 | D1161 L1194 H1235 | D1161-S1233 WeakPolarHBondContact OD1-CB 3.29Å; D1161-S1233 PolarHBondContact OD1-OG 2.87Å; L1194-S1233 WeakPolarHBondContact CD2-OG 3.49Å; S1233-H1235 VanDerWaalsContact C-N 3.27Å; S1233-H1235 PolarHBondContact OG-N 3.24Å | ||
| 1234 | Q | 96.2 | Very high | 96.2 | Very high | 16 Ų | 16 | 15.3 Ų | 15.3 | 8% | 0.075 | 8% | 0.079 | C | C | . | . | trans | -97.7 | 23.1 | 171.3 | -58.5 | -174.6 | 163.4 | 0 | 0 | 110.9 | T1158 D1161 G1236 N1237 L1247 | T1158-Q1234 HydrophobicContact CG2-CG 3.81Å; D1161-Q1234 PolarHBondContact OD2-N 3.39Å; Q1234-G1236 PolarHBondContact O-N 3.09Å; Q1234-N1237 HydrophobicContact CB-CB 4.39Å; Q1234-N1237 WeakPolarHBondContact CB-O 3.45Å; Q1234-N1237 PolarHBondContact NE2-O 2.87Å; Q1234-N1237 WeakPolarHBondContact O-CB 3.5Å; Q1234-N1237 PolarHBondContact O-N 2.69Å; Q1234-L1247 HydrophobicContact CB-CG 4.41Å; Q1234-L1247 WeakPolarHBondContact CG-O 3.42Å | ||
| 1235 | H | 96 | Very high | 96.1 | Very high | 105 Ų | 105 | 17.8 Ų | 17.8 | 49% | 0.486 | 9% | 0.093 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 34.5 | -179.2 | -63 | -88.4 | 0 | 0 | 0 | 114 | F1165 L1194 S1233 N1237 L1247 | F1165-H1235 VanDerWaalsContact CZ-C 3.43Å; L1194-H1235 VanDerWaalsContact CD1-CE1 3.47Å; L1194-H1235 WeakPolarHBondContact CD1-CE1 3.24Å; S1233-H1235 VanDerWaalsContact C-N 3.27Å; S1233-H1235 PolarHBondContact OG-N 3.24Å; H1235-N1237 VanDerWaalsContact C-N 3.3Å; H1235-L1247 HydrophobicContact CB-CD1 4.27Å |
| 1236 | G | 96.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 10.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | F1157 K1168 H1169 Q1234 N1238 | F1157-G1236 VanDerWaalsContact CE1-O 3.28Å; F1157-G1236 WeakPolarHBondContact CE1-O 3.3Å; K1168-G1236 CarbonylContact C-O 3.59Å; K1168-G1236 WeakPolarHBondContact CA-O 3Å; H1169-G1236 PolarHBondContact N-O 3.42Å; Q1234-G1236 PolarHBondContact O-N 3.09Å; G1236-N1238 PolarHBondContact O-N 3.12Å |
| 1237 | N | 97.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.011 | 13% | 0.128 | C | C | . | . | trans | -79.7 | 115.1 | 164.7 | -171.4 | -31.9 | 0 | 0 | 0 | 109 | N1170 N1173 Q1234 H1235 N1239 A1240 L1247 | N1170-N1237 VanDerWaalsContact OD1-CA 3.23Å; N1170-N1237 WeakPolarHBondContact OD1-CA 3.2Å; N1170-N1237 PolarHBondContact OD1-OD1 2.98Å; N1170-N1237 VanDerWaalsContact OD1-OD1 3.08Å; N1173-N1237 PolarHBondContact OD1-ND2 3.34Å; Q1234-N1237 HydrophobicContact CB-CB 4.39Å; Q1234-N1237 WeakPolarHBondContact CB-O 3.45Å; Q1234-N1237 PolarHBondContact NE2-O 2.87Å; Q1234-N1237 WeakPolarHBondContact O-CB 3.5Å; Q1234-N1237 PolarHBondContact O-N 2.69Å; H1235-N1237 VanDerWaalsContact C-N 3.3Å; N1237-N1239 PolarHBondContact OD1-N 3.49Å; N1237-A1240 PolarHBondContact OD1-N 2.97Å; N1237-L1247 HydrophobicContact CB-CD2 3.78Å | ||
| 1238 | N | 96.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.011 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -101.1 | 10.2 | -177 | 81.7 | -16.5 | 0 | 0 | 0 | 113.8 | G1156 F1157 N1170 T1181 N1184 G1236 | G1156-N1238 CarbonylContact C-O 3.56Å; G1156-N1238 WeakPolarHBondContact CA-O 3.47Å; G1156-N1238 PolarHBondContact N-O 3.1Å; G1156-N1238 WeakPolarHBondContact O-CA 3.43Å; F1157-N1238 HydrophobicContact CD1-CB 3.39Å; F1157-N1238 HydrophobicContact CE1-CB 3.62Å; F1157-N1238 HydrophobicContact CG-CB 4.24Å; N1170-N1238 PolarHBondContact ND2-OD1 3.05Å; N1170-N1238 PolarHBondContact OD1-N 2.8Å; N1170-N1238 PolarHBondContact OD1-OD1 3.15Å; T1181-N1238 PolarHBondContact O-ND2 2.6Å; N1184-N1238 PolarHBondContact ND2-ND2 2.62Å; N1184-N1238 PolarHBondContact OD1-ND2 3.28Å; G1236-N1238 PolarHBondContact O-N 3.12Å |
| 1239 | N | 95.7 | Very high | 95.5 | Very high | 24 Ų | 24 | 27.4 Ų | 27.4 | 13% | 0.128 | 14% | 0.135 | C | C | . | . | trans | -149.4 | 51.5 | -179.5 | -167.9 | 42 | 0 | 0 | 0 | 109.8 | W931 N1173 D1179 N1237 Y1241 | W931-N1239 WeakPolarHBondContact CH2-OD1 3.31Å; N1173-N1239 PolarHBondContact ND2-O 3.36Å; D1179-N1239 PolarHBondContact OD2-ND2 2.83Å; N1237-N1239 PolarHBondContact OD1-N 3.49Å; N1239-Y1241 WeakPolarHBondContact O-CD1 3.17Å; N1239-Y1241 PolarHBondContact O-N 3.46Å | ||
| 1240 | A | 95.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -75.8 | 32.2 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | N1237 C1242 Q1243 L1247 T1248 | N1237-A1240 PolarHBondContact OD1-N 2.97Å; A1240-C1242 PolarHBondContact O-N 2.88Å; A1240-C1242 VanDerWaalsContact O-N 3.11Å; A1240-Q1243 HydrophobicContact CB-CB 4.33Å; A1240-Q1243 HydrophobicContact CB-CG 4.29Å; A1240-Q1243 PolarHBondContact O-N 3.34Å; A1240-L1247 HydrophobicContact CB-CD2 4.06Å; A1240-T1248 HydrophobicContact CB-CG2 3.52Å | ||
| 1241 | Y | 96 | Very high | 95.5 | Very high | 28 Ų | 28 | 30.5 Ų | 30.5 | 11% | 0.11 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -24.7 | -171.4 | 83 | -81.4 | 0 | 0 | 0 | 115.1 | R921 L922 Y930 W931 E1175 N1239 | R921-Y1241 PolarHBondContact NH2-OH 2.87Å; L922-Y1241 HydrophobicContact CD1-CE2 3.89Å; Y930-Y1241 WeakPolarHBondContact CA-O 3.43Å; Y930-Y1241 VanDerWaalsContact CB-O 3.32Å; Y930-Y1241 WeakPolarHBondContact CB-O 3.2Å; Y930-Y1241 PolarHBondContact N-O 3.29Å; W931-Y1241 PolarHBondContact N-O 2.88Å; E1175-Y1241 PolarHBondContact OE1-OH 2.87Å; N1239-Y1241 WeakPolarHBondContact O-CD1 3.17Å; N1239-Y1241 PolarHBondContact O-N 3.46Å |
| 1242 | C | 96.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 12.4 | -177 | 62.3 | 0 | 0 | 0 | 0 | 114.1 | L922 L927 S928 A1240 | L922-C1242 HydrophobicContact CD1-CB 3.68Å; L922-C1242 HydrophobicContact CD2-CB 4Å; L927-C1242 HydrophobicContact CB-CB 4.49Å; S928-C1242 CarbonylContact O-C 3.58Å; S928-C1242 WeakPolarHBondContact O-CA 3.44Å; A1240-C1242 PolarHBondContact O-N 2.88Å; A1240-C1242 VanDerWaalsContact O-N 3.11Å |
| 1243 | Q | 96.3 | Very high | 95.2 | Very high | 10 Ų | 10 | 35 Ų | 35 | 5% | 0.047 | 18% | 0.18 | C | C | . | . | trans | -106.3 | 78.8 | -172.2 | -59.1 | -60.8 | -38 | 0 | 0 | 111.5 | A1172 N1173 A1240 N1245 L1247 T1248 | A1172-Q1243 PolarHBondContact O-NE2 3.19Å; N1173-Q1243 WeakPolarHBondContact OD1-CG 3.26Å; N1173-Q1243 PolarHBondContact OD1-NE2 3.14Å; A1240-Q1243 HydrophobicContact CB-CB 4.33Å; A1240-Q1243 HydrophobicContact CB-CG 4.29Å; A1240-Q1243 PolarHBondContact O-N 3.34Å; Q1243-N1245 PolarHBondContact O-N 3.19Å; Q1243-N1245 PolarHBondContact OE1-ND2 2.86Å; Q1243-L1247 HydrophobicContact CB-CD2 4.14Å; Q1243-L1247 HydrophobicContact CG-CD2 3.9Å; Q1243-T1248 HydrophobicContact CB-CG2 3.86Å; Q1243-T1248 WeakPolarHBondContact O-CB 3.48Å; Q1243-T1248 VanDerWaalsContact O-CG2 3.23Å; Q1243-T1248 WeakPolarHBondContact O-CG2 3.18Å; Q1243-T1248 PolarHBondContact O-OG1 3.36Å | ||
| 1244 | D | 95.5 | Very high | 94.9 | Very high | 52 Ų | 52 | 41.5 Ų | 41.5 | 28% | 0.278 | 21% | 0.209 | S | C | . | . | trans | -79.9 | 68.2 | 171.1 | -174.3 | 17.7 | 0 | 0 | 0 | 111 | K871 Y930 W1249 | K871-D1244 WeakPolarHBondContact CD-OD1 3.4Å; K871-D1244 WeakPolarHBondContact CE-OD1 3.27Å; K871-D1244 IonicContact NZ-OD1 3.48Å; K871-D1244 PolarHBondContact NZ-OD1 3.42Å; K871-D1244 IonicContact NZ-OD2 3.28Å; K871-D1244 PolarHBondContact NZ-OD2 2.94Å; Y930-D1244 HydrophobicContact CD2-CB 3.61Å; Y930-D1244 HydrophobicContact CE2-CB 4.43Å; Y930-D1244 HydrophobicContact CG-CB 4.13Å; D1244-W1249 VanDerWaalsContact O-CZ2 3.28Å; D1244-W1249 WeakPolarHBondContact O-CZ2 3.32Å; D1244-W1249 VanDerWaalsContact OD1-CZ2 3.31Å; D1244-W1249 WeakPolarHBondContact OD1-CZ2 3.4Å; D1244-W1249 PolarHBondContact OD1-NE1 2.93Å | ||
| 1245 | N | 95.2 | Very high | 94.8 | Very high | 55 Ų | 55 | 42.4 Ų | 42.4 | 29% | 0.294 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -156 | -171.4 | -176.4 | 62.7 | 51 | 0 | 0 | 0 | 111.9 | Q1243 L1247 T1248 W1249 | Q1243-N1245 PolarHBondContact O-N 3.19Å; Q1243-N1245 PolarHBondContact OE1-ND2 2.86Å; N1245-L1247 PolarHBondContact O-N 2.93Å; N1245-L1247 WeakPolarHBondContact OD1-CB 3.42Å; N1245-L1247 PolarHBondContact OD1-N 3.27Å; N1245-T1248 PolarHBondContact O-N 3.32Å; N1245-T1248 PolarHBondContact O-OG1 3.21Å; N1245-W1249 VanDerWaalsContact C-CD2 3.49Å; N1245-W1249 VanDerWaalsContact O-CG 3.24Å; N1245-W1249 PolarHBondContact O-N 3.48Å; N1245-W1249 VanDerWaalsContact O-N 3.1Å |
| 1246 | Q | 92.7 | Very high | 94.6 | Very high | 157 Ų | 157 | 40 Ų | 40 | 73% | 0.734 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -17.3 | -178 | -71.3 | 166.4 | -15.1 | 0 | 0 | 114.7 | T1248 W1249 | Q1246-T1248 VanDerWaalsContact C-N 3.28Å; Q1246-T1248 PolarHBondContact O-N 2.88Å; Q1246-W1249 HydrophobicContact CG-CE3 4.26Å; Q1246-W1249 HydrophobicContact CG-CZ3 4.45Å |
| 1247 | L | 93.8 | Very high | 94.4 | Very high | 33 Ų | 33 | 44.8 Ų | 44.8 | 17% | 0.173 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -32.1 | 175.6 | -161.1 | 92.9 | 0 | 0 | 0 | 112 | Q1234 H1235 N1237 A1240 Q1243 N1245 | Q1234-L1247 HydrophobicContact CB-CG 4.41Å; Q1234-L1247 WeakPolarHBondContact CG-O 3.42Å; H1235-L1247 HydrophobicContact CB-CD1 4.27Å; N1237-L1247 HydrophobicContact CB-CD2 3.78Å; A1240-L1247 HydrophobicContact CB-CD2 4.06Å; Q1243-L1247 HydrophobicContact CB-CD2 4.14Å; Q1243-L1247 HydrophobicContact CG-CD2 3.9Å; N1245-L1247 PolarHBondContact O-N 2.93Å; N1245-L1247 WeakPolarHBondContact OD1-CB 3.42Å; N1245-L1247 PolarHBondContact OD1-N 3.27Å |
| 1248 | T | 95.4 | Very high | 94.2 | Very high | 8 Ų | 8 | 47 Ų | 47 | 5% | 0.049 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | -18.3 | -174.2 | 59.9 | 0 | 0 | 0 | 0 | 113.6 | Y930 A1240 Q1243 N1245 Q1246 | Y930-T1248 HydrophobicContact CD1-CG2 4.2Å; Y930-T1248 HydrophobicContact CE1-CG2 4.01Å; Y930-T1248 WeakPolarHBondContact CE1-OG1 3.33Å; A1240-T1248 HydrophobicContact CB-CG2 3.52Å; Q1243-T1248 HydrophobicContact CB-CG2 3.86Å; Q1243-T1248 WeakPolarHBondContact O-CB 3.48Å; Q1243-T1248 VanDerWaalsContact O-CG2 3.23Å; Q1243-T1248 WeakPolarHBondContact O-CG2 3.18Å; Q1243-T1248 PolarHBondContact O-OG1 3.36Å; N1245-T1248 PolarHBondContact O-N 3.32Å; N1245-T1248 PolarHBondContact O-OG1 3.21Å; Q1246-T1248 VanDerWaalsContact C-N 3.28Å; Q1246-T1248 PolarHBondContact O-N 2.88Å |
| 1249 | W | 96.6 | Very high | 94.2 | Very high | 33 Ų | 33 | 47.6 Ų | 47.6 | 13% | 0.125 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -74.8 | 132.6 | 174.5 | -56.2 | -18.7 | 0 | 0 | 0 | 110.5 | Y875 L876 H1232 D1244 N1245 Q1246 D1251 | Y875-W1249 AromaticContact CD1-CD2 3.73Å; Y875-W1249 HydrophobicContact CD1-CD2 3.73Å; Y875-W1249 AromaticContact CD1-CE3 3.58Å; Y875-W1249 HydrophobicContact CD1-CE3 3.58Å; Y875-W1249 HydrophobicContact CD1-CG 4.44Å; Y875-W1249 HydrophobicContact CD1-CH2 4.04Å; Y875-W1249 HydrophobicContact CD1-CZ2 4.18Å; Y875-W1249 AromaticContact CD1-CZ3 3.75Å; Y875-W1249 HydrophobicContact CD1-CZ3 3.75Å; Y875-W1249 HydrophobicContact CE1-CD2 4.3Å; Y875-W1249 AromaticContact CE1-CE3 3.86Å; Y875-W1249 HydrophobicContact CE1-CE3 3.86Å; Y875-W1249 AromaticContact CE1-CH2 3.6Å; Y875-W1249 HydrophobicContact CE1-CH2 3.6Å; Y875-W1249 HydrophobicContact CE1-CZ2 4.06Å; Y875-W1249 AromaticContact CE1-CZ3 3.49Å; Y875-W1249 HydrophobicContact CE1-CZ3 3.49Å; Y875-W1249 VanDerWaalsContact CE1-CZ3 3.49Å; L876-W1249 HydrophobicContact CD1-CB 3.75Å; L876-W1249 HydrophobicContact CD1-CE3 4.31Å; L876-W1249 HydrophobicContact CD2-CE3 4.2Å; L876-W1249 HydrophobicContact CG-CB 4.06Å; L876-W1249 HydrophobicContact CG-CE3 4.28Å; H1232-W1249 PolarHBondContact CE1-O 3.3Å; D1244-W1249 VanDerWaalsContact O-CZ2 3.28Å; D1244-W1249 WeakPolarHBondContact O-CZ2 3.32Å; D1244-W1249 VanDerWaalsContact OD1-CZ2 3.31Å; D1244-W1249 WeakPolarHBondContact OD1-CZ2 3.4Å; D1244-W1249 PolarHBondContact OD1-NE1 2.93Å; N1245-W1249 VanDerWaalsContact C-CD2 3.49Å; N1245-W1249 VanDerWaalsContact O-CG 3.24Å; N1245-W1249 PolarHBondContact O-N 3.48Å; N1245-W1249 VanDerWaalsContact O-N 3.1Å; Q1246-W1249 HydrophobicContact CG-CE3 4.26Å; Q1246-W1249 HydrophobicContact CG-CZ3 4.45Å; W1249-D1251 PolarHBondContact O-N 3.49Å |
| 1250 | L | 96.1 | Very high | 94.3 | Very high | 6 Ų | 6 | 47.2 Ų | 47.2 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | trans | -67.8 | 119.2 | -178.4 | -64 | -179 | 0 | 0 | 0 | 111 | G872 L873 L876 A1226 H1232 W1252 | G872-L1250 PolarHBondContact O-N 2.84Å; L873-L1250 HydrophobicContact CD1-CD1 3.68Å; L876-L1250 WeakPolarHBondContact CB-O 3.44Å; A1226-L1250 HydrophobicContact CB-CD1 4.17Å; H1232-L1250 HydrophobicContact CB-CD2 3.83Å; H1232-L1250 VanDerWaalsContact CG-CD2 3.48Å; L1250-W1252 HydrophobicContact CD1-CZ2 4.46Å; L1250-W1252 PolarHBondContact O-N 3.44Å; L1250-W1252 VanDerWaalsContact O-N 3.14Å | ||
| 1251 | D | 92.5 | Very high | 94.2 | Very high | 66 Ų | 66 | 50.1 Ų | 50.1 | 35% | 0.353 | 30% | 0.296 | S | S | . | . | trans | -81.8 | 90 | 175 | -173.7 | -4.3 | 0 | 0 | 0 | 111.4 | W1249 S1253 Q1254 A1255 | W1249-D1251 PolarHBondContact O-N 3.49Å; D1251-S1253 PolarHBondContact O-N 3.14Å; D1251-S1253 WeakPolarHBondContact OD1-CB 3.24Å; D1251-S1253 PolarHBondContact OD1-N 2.85Å; D1251-S1253 PolarHBondContact OD1-OG 2.83Å; D1251-Q1254 PolarHBondContact O-N 2.87Å; D1251-Q1254 PolarHBondContact OD1-N 2.69Å; D1251-Q1254 WeakPolarHBondContact OD2-CG 3.14Å; D1251-A1255 PolarHBondContact O-N 2.86Å | ||
| 1252 | W | 94.3 | Very high | 94.2 | Very high | 33 Ų | 33 | 49.5 Ų | 49.5 | 13% | 0.125 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -18.8 | 176.5 | -66.6 | 90.8 | 0 | 0 | 0 | 114.1 | L873 H877 M896 Y899 H1230 L1250 | L873-W1252 HydrophobicContact CD1-CZ2 4.1Å; L873-W1252 WeakPolarHBondContact O-CZ2 3.35Å; L873-W1252 PolarHBondContact O-NE1 3.38Å; H877-W1252 HydrophobicContact CB-CG 4.32Å; H877-W1252 AromaticContact CD2-CD2 3.42Å; H877-W1252 VanDerWaalsContact CD2-CD2 3.42Å; H877-W1252 AromaticContact CD2-CE2 3.43Å; H877-W1252 VanDerWaalsContact CD2-CE2 3.43Å; H877-W1252 AromaticContact CD2-CE3 3.71Å; H877-W1252 AromaticContact CD2-CG 3.92Å; H877-W1252 AromaticContact CD2-CZ2 3.74Å; H877-W1252 AromaticContact CD2-CZ3 3.99Å; H877-W1252 AromaticContact CD2-NE1 3.87Å; H877-W1252 AromaticContact NE2-CD2 3.98Å; H877-W1252 AromaticContact NE2-CE3 3.8Å; H877-W1252 AromaticContact NE2-CZ3 3.99Å; M896-W1252 HydrophobicContact CE-CH2 4.24Å; M896-W1252 HydrophobicContact CE-CZ2 4.12Å; M896-W1252 HydrophobicContact SD-CZ2 4.31Å; Y899-W1252 AromaticContact CD1-CH2 3.85Å; Y899-W1252 HydrophobicContact CD1-CH2 3.85Å; Y899-W1252 HydrophobicContact CD1-CZ3 4.4Å; Y899-W1252 HydrophobicContact CD2-CH2 4.28Å; Y899-W1252 HydrophobicContact CD2-CZ3 4.01Å; Y899-W1252 AromaticContact CE1-CH2 3.63Å; Y899-W1252 HydrophobicContact CE1-CH2 3.63Å; Y899-W1252 HydrophobicContact CE1-CZ3 4.14Å; Y899-W1252 HydrophobicContact CE2-CH2 4.08Å; Y899-W1252 AromaticContact CE2-CZ3 3.72Å; Y899-W1252 HydrophobicContact CE2-CZ3 3.72Å; Y899-W1252 HydrophobicContact CG-CH2 4.16Å; Y899-W1252 HydrophobicContact CG-CZ3 4.33Å; Y899-W1252 AromaticContact CZ-CH2 3.74Å; Y899-W1252 AromaticContact CZ-CZ3 3.77Å; H1230-W1252 AromaticContact CE1-CH2 3.98Å; L1250-W1252 HydrophobicContact CD1-CZ2 4.46Å; L1250-W1252 PolarHBondContact O-N 3.44Å; L1250-W1252 VanDerWaalsContact O-N 3.14Å |
| 1253 | S | 91 | Very high | 94.3 | Very high | 96 Ų | 96 | 49.4 Ų | 49.4 | 67% | 0.671 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -23.8 | 178.9 | 77.9 | 0 | 0 | 0 | 0 | 113.1 | D1251 | D1251-S1253 PolarHBondContact O-N 3.14Å; D1251-S1253 WeakPolarHBondContact OD1-CB 3.24Å; D1251-S1253 PolarHBondContact OD1-N 2.85Å; D1251-S1253 PolarHBondContact OD1-OG 2.83Å |
| 1254 | Q | 88.9 | Confident | 94.4 | Very high | 144 Ų | 144 | 49.4 Ų | 49.4 | 67% | 0.673 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -103.5 | 5.9 | 178 | -64.7 | -72.9 | -26.9 | 0 | 0 | 112.5 | D1251 S1256 | D1251-Q1254 PolarHBondContact O-N 2.87Å; D1251-Q1254 PolarHBondContact OD1-N 2.69Å; D1251-Q1254 WeakPolarHBondContact OD2-CG 3.14Å; Q1254-S1256 PolarHBondContact O-N 2.91Å |
| 1255 | A | 92.7 | Very high | 94.4 | Very high | 35 Ų | 35 | 48.2 Ų | 48.2 | 29% | 0.289 | 29% | 0.293 | S | S | . | . | trans | -61.4 | 127.3 | -178 | 0 | 0 | 0 | 0 | 0 | 112 | H1230 D1251 S1257 | H1230-A1255 HydrophobicContact CB-CB 3.67Å; D1251-A1255 PolarHBondContact O-N 2.86Å; A1255-S1257 PolarHBondContact O-N 2.86Å; A1255-S1257 VanDerWaalsContact O-N 3.11Å | ||
| 1256 | S | 93.8 | Very high | 94.5 | Very high | 55 Ų | 55 | 45.6 Ų | 45.6 | 39% | 0.385 | 28% | 0.279 | S | S | . | . | trans | -76.1 | 96.8 | 177.3 | 178.7 | 0 | 0 | 0 | 0 | 111.2 | H1230 Q1254 G1258 L1259 T1260 | H1230-S1256 WeakPolarHBondContact O-CB 3.38Å; H1230-S1256 PolarHBondContact O-N 3.36Å; Q1254-S1256 PolarHBondContact O-N 2.91Å; S1256-G1258 PolarHBondContact O-N 2.86Å; S1256-L1259 PolarHBondContact O-N 2.91Å; S1256-L1259 WeakPolarHBondContact OG-CB 3.26Å; S1256-L1259 PolarHBondContact OG-N 2.87Å; S1256-T1260 PolarHBondContact O-N 2.87Å; S1256-T1260 PolarHBondContact O-OG1 2.88Å | ||
| 1257 | S | 91.7 | Very high | 94.8 | Very high | 101 Ų | 101 | 38.1 Ų | 38.1 | 71% | 0.706 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -55.3 | -35.1 | 177.3 | 57.9 | 0 | 0 | 0 | 0 | 113.5 | A1255 T1260 A1261 | A1255-S1257 PolarHBondContact O-N 2.86Å; A1255-S1257 VanDerWaalsContact O-N 3.11Å; S1257-T1260 PolarHBondContact O-N 2.88Å; S1257-A1261 WeakPolarHBondContact O-CB 3.42Å; S1257-A1261 PolarHBondContact O-N 3.15Å |
| 1258 | G | 92.9 | Very high | 94.9 | Very high | 48 Ų | 48 | 40.5 Ų | 40.5 | 50% | 0.495 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.1 | -40.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | S1256 F1262 | S1256-G1258 PolarHBondContact O-N 2.86Å; G1258-F1262 WeakPolarHBondContact O-CB 3.03Å; G1258-F1262 PolarHBondContact O-N 2.85Å |
| 1259 | L | 95.7 | Very high | 95 | Very high | 14 Ų | 14 | 40.4 Ų | 40.4 | 7% | 0.073 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.2 | -39.6 | 176.8 | -173.3 | 60.7 | 0 | 0 | 0 | 110.9 | I1208 L1212 D1228 E1229 S1256 A1261 F1262 T1263 | I1208-L1259 HydrophobicContact CG2-CD1 3.69Å; I1208-L1259 HydrophobicContact CG2-CD2 4.13Å; L1212-L1259 HydrophobicContact CD1-CD1 3.76Å; D1228-L1259 WeakPolarHBondContact O-CD2 3.41Å; E1229-L1259 CarbonylContact O-C 3.51Å; E1229-L1259 WeakPolarHBondContact O-CB 3.4Å; E1229-L1259 WeakPolarHBondContact O-CG 3.11Å; S1256-L1259 PolarHBondContact O-N 2.91Å; S1256-L1259 WeakPolarHBondContact OG-CB 3.26Å; S1256-L1259 PolarHBondContact OG-N 2.87Å; L1259-A1261 VanDerWaalsContact C-N 3.35Å; L1259-A1261 PolarHBondContact O-N 2.92Å; L1259-F1262 WeakPolarHBondContact O-CB 3.4Å; L1259-F1262 PolarHBondContact O-N 3.05Å; L1259-F1262 VanDerWaalsContact O-N 3.17Å; L1259-T1263 PolarHBondContact O-N 2.87Å; L1259-T1263 PolarHBondContact O-OG1 3.17Å; L1259-T1263 VanDerWaalsContact O-OG1 3.09Å |
| 1260 | T | 96.3 | Very high | 95 | Very high | 17 Ų | 17 | 38.9 Ų | 38.9 | 10% | 0.104 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.8 | -43.5 | 178.7 | -48.7 | 0 | 0 | 0 | 0 | 110.7 | Y899 E1229 S1256 S1257 F1262 T1263 A1264 | Y899-T1260 HydrophobicContact CE2-CG2 3.95Å; E1229-T1260 HydrophobicContact CG-CG2 4.26Å; E1229-T1260 WeakPolarHBondContact O-CA 3.11Å; E1229-T1260 PolarHBondContact O-N 2.85Å; E1229-T1260 PolarHBondContact O-OG1 2.99Å; S1256-T1260 PolarHBondContact O-N 2.87Å; S1256-T1260 PolarHBondContact O-OG1 2.88Å; S1257-T1260 PolarHBondContact O-N 2.88Å; T1260-F1262 VanDerWaalsContact C-N 3.35Å; T1260-F1262 PolarHBondContact O-N 2.81Å; T1260-T1263 PolarHBondContact O-N 2.82Å; T1260-A1264 WeakPolarHBondContact O-CB 3.04Å; T1260-A1264 PolarHBondContact O-N 3Å |
| 1261 | A | 95.5 | Very high | 95 | Very high | 60 Ų | 60 | 42.6 Ų | 42.6 | 50% | 0.496 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1257 L1259 A1265 | S1257-A1261 WeakPolarHBondContact O-CB 3.42Å; S1257-A1261 PolarHBondContact O-N 3.15Å; L1259-A1261 VanDerWaalsContact C-N 3.35Å; L1259-A1261 PolarHBondContact O-N 2.92Å; A1261-A1265 WeakPolarHBondContact O-CB 3.28Å; A1261-A1265 PolarHBondContact O-N 3.42Å |
| 1262 | F | 96 | Very high | 95.2 | Very high | 15 Ų | 15 | 45.9 Ų | 45.9 | 7% | 0.066 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.6 | -48.9 | 175.6 | -178.8 | -91.9 | 0 | 0 | 0 | 111.5 | H1209 L1212 G1258 L1259 T1260 A1265 L1266 P1344 F1345 | H1209-F1262 HydrophobicContact CB-CE1 3.89Å; H1209-F1262 HydrophobicContact CB-CE2 4.44Å; H1209-F1262 HydrophobicContact CB-CZ 3.74Å; H1209-F1262 AromaticContact CD2-CD1 3.98Å; H1209-F1262 AromaticContact CD2-CE1 3.95Å; H1209-F1262 AromaticContact CE1-CD2 3.94Å; H1209-F1262 AromaticContact CG-CE1 3.81Å; H1209-F1262 AromaticContact CG-CZ 3.72Å; H1209-F1262 AromaticContact ND1-CE2 3.74Å; H1209-F1262 AromaticContact ND1-CZ 3.9Å; L1212-F1262 HydrophobicContact CB-CE1 4.46Å; G1258-F1262 WeakPolarHBondContact O-CB 3.03Å; G1258-F1262 PolarHBondContact O-N 2.85Å; L1259-F1262 WeakPolarHBondContact O-CB 3.4Å; L1259-F1262 PolarHBondContact O-N 3.05Å; L1259-F1262 VanDerWaalsContact O-N 3.17Å; T1260-F1262 VanDerWaalsContact C-N 3.35Å; T1260-F1262 PolarHBondContact O-N 2.81Å; F1262-A1265 PolarHBondContact O-N 3.34Å; F1262-L1266 HydrophobicContact CD1-CD1 3.89Å; F1262-L1266 HydrophobicContact CD1-CG 4.45Å; F1262-L1266 HydrophobicContact CE1-CD1 3.37Å; F1262-L1266 HydrophobicContact CE1-CG 4.11Å; F1262-L1266 HydrophobicContact CZ-CD1 4Å; F1262-L1266 HydrophobicContact CZ-CG 4.41Å; F1262-L1266 PolarHBondContact O-N 2.69Å; F1262-P1344 HydrophobicContact CD2-CB 3.55Å; F1262-P1344 HydrophobicContact CD2-CG 3.46Å; F1262-P1344 VanDerWaalsContact CD2-CG 3.46Å; F1262-P1344 HydrophobicContact CE2-CB 3.95Å; F1262-P1344 HydrophobicContact CE2-CG 3.46Å; F1262-P1344 VanDerWaalsContact CE2-CG 3.46Å; F1262-P1344 HydrophobicContact CG-CB 4.33Å; F1262-P1344 HydrophobicContact CG-CG 4.15Å; F1262-P1344 HydrophobicContact CZ-CG 4.17Å; F1262-F1345 HydrophobicContact CE2-CE1 4.16Å; F1262-F1345 HydrophobicContact CZ-CE1 4.04Å; F1262-F1345 HydrophobicContact CZ-CZ 4.4Å |
| 1263 | T | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 178.1 | -57.4 | 0 | 0 | 0 | 0 | 111.9 | L903 L1212 L1216 L1224 E1229 L1259 T1260 A1265 L1266 I1267 | L903-T1263 HydrophobicContact CD2-CG2 3.97Å; L1212-T1263 HydrophobicContact CD2-CG2 4.45Å; L1216-T1263 HydrophobicContact CD1-CG2 3.96Å; L1224-T1263 HydrophobicContact CD1-CG2 4.49Å; L1224-T1263 HydrophobicContact CD2-CG2 3.98Å; E1229-T1263 HydrophobicContact CB-CG2 3.78Å; L1259-T1263 PolarHBondContact O-N 2.87Å; L1259-T1263 PolarHBondContact O-OG1 3.17Å; L1259-T1263 VanDerWaalsContact O-OG1 3.09Å; T1260-T1263 PolarHBondContact O-N 2.82Å; T1263-A1265 VanDerWaalsContact C-N 3.31Å; T1263-A1265 PolarHBondContact O-N 2.71Å; T1263-L1266 WeakPolarHBondContact O-CB 3.33Å; T1263-L1266 PolarHBondContact O-N 2.73Å; T1263-I1267 HydrophobicContact CG2-CD1 4.13Å; T1263-I1267 WeakPolarHBondContact O-CG1 3.4Å; T1263-I1267 PolarHBondContact O-N 2.95Å |
| 1264 | A | 97.8 | Very high | 95.5 | Very high | 10 Ų | 10 | 41 Ų | 41 | 8% | 0.083 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.7 | -44.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | L903 T1260 L1266 I1267 H1268 | L903-A1264 HydrophobicContact CD2-CB 4.34Å; T1260-A1264 WeakPolarHBondContact O-CB 3.04Å; T1260-A1264 PolarHBondContact O-N 3Å; A1264-L1266 VanDerWaalsContact C-N 3.33Å; A1264-L1266 PolarHBondContact O-N 2.89Å; A1264-I1267 PolarHBondContact O-N 2.84Å; A1264-H1268 PolarHBondContact O-CD2 3.17Å; A1264-H1268 PolarHBondContact O-N 2.86Å |
| 1265 | A | 96.6 | Very high | 95.9 | Very high | 27 Ų | 27 | 34.2 Ų | 34.2 | 22% | 0.223 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.3 | -38.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1261 F1262 T1263 L1269 P1344 | A1261-A1265 WeakPolarHBondContact O-CB 3.28Å; A1261-A1265 PolarHBondContact O-N 3.42Å; F1262-A1265 PolarHBondContact O-N 3.34Å; T1263-A1265 VanDerWaalsContact C-N 3.31Å; T1263-A1265 PolarHBondContact O-N 2.71Å; A1265-L1269 VanDerWaalsContact O-CB 3.23Å; A1265-L1269 WeakPolarHBondContact O-CB 3.47Å; A1265-L1269 PolarHBondContact O-N 3.49Å; A1265-P1344 HydrophobicContact CB-CB 3.78Å; A1265-P1344 HydrophobicContact CB-CG 3.93Å |
| 1266 | L | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.8 | -43.6 | 173.8 | -74.2 | 176.4 | 0 | 0 | 0 | 112.5 | L1212 T1213 L1216 L1217 F1262 T1263 A1264 L1269 R1270 P1344 F1345 | L1212-L1266 HydrophobicContact CB-CD1 4.03Å; T1213-L1266 HydrophobicContact CG2-CD2 4.08Å; L1216-L1266 HydrophobicContact CB-CB 4.17Å; L1216-L1266 HydrophobicContact CD1-CB 3.65Å; L1216-L1266 HydrophobicContact CD1-CD1 3.93Å; L1216-L1266 HydrophobicContact CD1-CG 4.48Å; L1217-L1266 HydrophobicContact CD1-CD2 4.17Å; L1217-L1266 HydrophobicContact CG-CD2 4.35Å; F1262-L1266 HydrophobicContact CD1-CD1 3.89Å; F1262-L1266 HydrophobicContact CD1-CG 4.45Å; F1262-L1266 HydrophobicContact CE1-CD1 3.37Å; F1262-L1266 HydrophobicContact CE1-CG 4.11Å; F1262-L1266 HydrophobicContact CZ-CD1 4Å; F1262-L1266 HydrophobicContact CZ-CG 4.41Å; F1262-L1266 PolarHBondContact O-N 2.69Å; T1263-L1266 WeakPolarHBondContact O-CB 3.33Å; T1263-L1266 PolarHBondContact O-N 2.73Å; A1264-L1266 VanDerWaalsContact C-N 3.33Å; A1264-L1266 PolarHBondContact O-N 2.89Å; L1266-L1269 WeakPolarHBondContact O-CB 3.35Å; L1266-L1269 PolarHBondContact O-N 2.79Å; L1266-R1270 PolarHBondContact O-N 3.37Å; L1266-P1344 HydrophobicContact CD2-CG 4.27Å; L1266-P1344 HydrophobicContact CG-CG 4.25Å; L1266-F1345 HydrophobicContact CD2-CE2 4.07Å; L1266-F1345 HydrophobicContact CD2-CZ 3.76Å |
| 1267 | I | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.8 | -46.7 | 177.5 | -67.9 | 164.8 | 0 | 0 | 0 | 110.4 | I864 L903 G904 I905 L1216 T1263 A1264 L1269 R1270 K1271 | I864-I1267 HydrophobicContact CG1-CG2 4.1Å; I864-I1267 HydrophobicContact CG2-CD1 4.34Å; I864-I1267 HydrophobicContact CG2-CG1 4.4Å; I864-I1267 HydrophobicContact CG2-CG2 4.49Å; L903-I1267 HydrophobicContact CD2-CD1 4.1Å; L903-I1267 WeakPolarHBondContact O-CB 3.3Å; L903-I1267 VanDerWaalsContact O-CD1 3.28Å; L903-I1267 WeakPolarHBondContact O-CD1 3.31Å; L903-I1267 WeakPolarHBondContact O-CG2 3.35Å; G904-I1267 WeakPolarHBondContact O-CG2 3.37Å; I905-I1267 HydrophobicContact CD1-CD1 4.1Å; L1216-I1267 HydrophobicContact CD1-CG1 3.99Å; L1216-I1267 HydrophobicContact CD2-CD1 4.49Å; L1216-I1267 HydrophobicContact CD2-CG1 3.78Å; L1216-I1267 HydrophobicContact CG-CG1 4.47Å; T1263-I1267 HydrophobicContact CG2-CD1 4.13Å; T1263-I1267 WeakPolarHBondContact O-CG1 3.4Å; T1263-I1267 PolarHBondContact O-N 2.95Å; A1264-I1267 PolarHBondContact O-N 2.84Å; I1267-L1269 VanDerWaalsContact C-N 3.3Å; I1267-L1269 PolarHBondContact O-N 2.86Å; I1267-R1270 WeakPolarHBondContact O-CB 3.46Å; I1267-R1270 PolarHBondContact O-N 2.86Å; I1267-K1271 WeakPolarHBondContact O-CG 3.46Å; I1267-K1271 PolarHBondContact O-N 2.85Å |
| 1268 | H | 97 | Very high | 96.2 | Very high | 83 Ų | 83 | 31.1 Ų | 31.1 | 38% | 0.384 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.7 | -35 | 176.7 | -68.8 | -50.6 | 0 | 0 | 0 | 112.2 | Q902 A1264 | Q902-H1268 PolarHBondContact O-NE2 3.01Å; A1264-H1268 PolarHBondContact O-CD2 3.17Å; A1264-H1268 PolarHBondContact O-N 2.86Å |
| 1269 | L | 96.3 | Very high | 96.3 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.6 | -47 | 173.2 | 176.2 | 55.9 | 0 | 0 | 0 | 111.5 | L1217 A1265 L1266 I1267 K1271 R1272 I1273 F1319 I1342 F1345 V1366 | L1217-L1269 HydrophobicContact CD1-CD2 4.14Å; L1217-L1269 HydrophobicContact CD2-CD2 4.44Å; L1217-L1269 HydrophobicContact CD2-CG 4.31Å; A1265-L1269 VanDerWaalsContact O-CB 3.23Å; A1265-L1269 WeakPolarHBondContact O-CB 3.47Å; A1265-L1269 PolarHBondContact O-N 3.49Å; L1266-L1269 WeakPolarHBondContact O-CB 3.35Å; L1266-L1269 PolarHBondContact O-N 2.79Å; I1267-L1269 VanDerWaalsContact C-N 3.3Å; I1267-L1269 PolarHBondContact O-N 2.86Å; L1269-K1271 PolarHBondContact O-N 2.7Å; L1269-R1272 WeakPolarHBondContact O-CB 3.45Å; L1269-R1272 PolarHBondContact O-N 2.99Å; L1269-I1273 HydrophobicContact CD1-CD1 4.16Å; L1269-I1273 HydrophobicContact CD1-CG1 4.39Å; L1269-I1273 HydrophobicContact CG-CD1 4.06Å; L1269-F1319 HydrophobicContact CD1-CD1 4.41Å; L1269-F1319 HydrophobicContact CD1-CE1 4.28Å; L1269-I1342 HydrophobicContact CD1-CD1 3.42Å; L1269-I1342 VanDerWaalsContact CD1-CD1 3.42Å; L1269-I1342 HydrophobicContact CD2-CD1 3.95Å; L1269-I1342 HydrophobicContact CG-CD1 4.34Å; L1269-F1345 HydrophobicContact CD2-CE2 4.48Å; L1269-V1366 HydrophobicContact CD2-CB 4.32Å; L1269-V1366 HydrophobicContact CD2-CG1 4.11Å; L1269-V1366 HydrophobicContact CD2-CG2 4.46Å |
| 1270 | R | 97.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -51.9 | -46.2 | 176.6 | -175.9 | -162.9 | 173 | 77 | 7.6 | 111.5 | I864 L1216 L1217 S1218 G1220 L1266 I1267 R1272 I1273 L1276 | I864-R1270 VanDerWaalsContact CD1-CD 3.45Å; L1216-R1270 WeakPolarHBondContact O-CD 3.48Å; L1216-R1270 VanDerWaalsContact O-CG 3.24Å; L1216-R1270 WeakPolarHBondContact O-CG 3.34Å; L1216-R1270 PolarHBondContact O-NH1 3.28Å; L1217-R1270 HydrophobicContact CD2-CB 4.04Å; S1218-R1270 PolarHBondContact O-NH1 2.91Å; G1220-R1270 PolarHBondContact O-NH2 3.48Å; L1266-R1270 PolarHBondContact O-N 3.37Å; I1267-R1270 WeakPolarHBondContact O-CB 3.46Å; I1267-R1270 PolarHBondContact O-N 2.86Å; R1270-R1272 PolarHBondContact O-N 2.99Å; R1270-I1273 PolarHBondContact O-N 3.47Å; R1270-L1276 HydrophobicContact CG-CB 4.12Å; R1270-L1276 HydrophobicContact CG-CD1 4.05Å; R1270-L1276 PolarHBondContact NH2-O 3.02Å; R1270-L1276 VanDerWaalsContact NH2-O 3.15Å |
| 1271 | K | 96 | Very high | 96.3 | Very high | 85 Ų | 85 | 35.9 Ų | 35.9 | 37% | 0.37 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -16.5 | 179.2 | -68.9 | -179.2 | -178.3 | -174.6 | 0 | 113.9 | G904 I1267 L1269 | G904-K1271 VanDerWaalsContact O-CE 3.32Å; G904-K1271 WeakPolarHBondContact O-CE 3.36Å; G904-K1271 PolarHBondContact O-NZ 3.49Å; I1267-K1271 WeakPolarHBondContact O-CG 3.46Å; I1267-K1271 PolarHBondContact O-N 2.85Å; L1269-K1271 PolarHBondContact O-N 2.7Å |
| 1272 | R | 95.6 | Very high | 96.2 | Very high | 134 Ų | 134 | 34.1 Ų | 34.1 | 51% | 0.506 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -8.8 | 177.9 | -64.6 | 170.1 | 56.9 | -160.2 | -8.5 | 114 | L1269 R1270 P1274 | L1269-R1272 WeakPolarHBondContact O-CB 3.45Å; L1269-R1272 PolarHBondContact O-N 2.99Å; R1270-R1272 PolarHBondContact O-N 2.99Å; R1272-P1274 WeakPolarHBondContact O-CD 3.21Å |
| 1273 | I | 96.6 | Very high | 96 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -103 | 104.6 | -173.5 | -58.8 | 172 | 0 | 0 | 0 | 109.5 | L1217 L1269 R1270 A1275 L1276 V1277 L1315 F1319 | L1217-I1273 HydrophobicContact CD2-CD1 4.29Å; L1269-I1273 HydrophobicContact CD1-CD1 4.16Å; L1269-I1273 HydrophobicContact CD1-CG1 4.39Å; L1269-I1273 HydrophobicContact CG-CD1 4.06Å; R1270-I1273 PolarHBondContact O-N 3.47Å; I1273-A1275 VanDerWaalsContact C-N 3.3Å; I1273-A1275 HydrophobicContact CG2-CB 4.41Å; I1273-A1275 PolarHBondContact O-N 2.92Å; I1273-L1276 HydrophobicContact CB-CB 4.45Å; I1273-L1276 HydrophobicContact CB-CD1 3.96Å; I1273-L1276 HydrophobicContact CB-CG 4.17Å; I1273-L1276 HydrophobicContact CD1-CD1 3.89Å; I1273-L1276 HydrophobicContact CG2-CB 4.46Å; I1273-L1276 HydrophobicContact CG2-CD1 3.96Å; I1273-L1276 HydrophobicContact CG2-CG 3.84Å; I1273-L1276 PolarHBondContact O-N 2.89Å; I1273-V1277 PolarHBondContact O-N 2.92Å; I1273-L1315 HydrophobicContact CG2-CB 3.91Å; I1273-L1315 HydrophobicContact CG2-CD1 4.15Å; I1273-F1319 HydrophobicContact CB-CD2 4.27Å; I1273-F1319 HydrophobicContact CB-CE2 4.46Å; I1273-F1319 HydrophobicContact CD1-CB 4.27Å; I1273-F1319 HydrophobicContact CD1-CD1 4.37Å; I1273-F1319 HydrophobicContact CD1-CG 4.2Å; I1273-F1319 HydrophobicContact CG1-CB 4.3Å; I1273-F1319 HydrophobicContact CG1-CD1 4.01Å; I1273-F1319 HydrophobicContact CG1-CD2 3.78Å; I1273-F1319 HydrophobicContact CG1-CE1 4.23Å; I1273-F1319 HydrophobicContact CG1-CE2 4Å; I1273-F1319 HydrophobicContact CG1-CG 3.77Å; I1273-F1319 HydrophobicContact CG1-CZ 4.22Å; I1273-F1319 HydrophobicContact CG2-CD2 4.08Å | ||
| 1274 | P | 96.1 | Very high | 95.5 | Very high | 28 Ų | 28 | 48 Ų | 48 | 18% | 0.182 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -55 | -40.5 | -174.7 | -27.2 | 35.5 | 0 | 0 | 0 | 114.1 | R1272 L1276 V1277 E1278 | R1272-P1274 WeakPolarHBondContact O-CD 3.21Å; P1274-L1276 PolarHBondContact O-N 3.26Å; P1274-V1277 PolarHBondContact O-N 2.78Å; P1274-V1277 VanDerWaalsContact O-N 3.11Å; P1274-E1278 HydrophobicContact CB-CG 4.48Å; P1274-E1278 WeakPolarHBondContact O-CB 3.46Å; P1274-E1278 WeakPolarHBondContact O-CG 3.34Å; P1274-E1278 PolarHBondContact O-N 2.78Å |
| 1275 | A | 96.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.5 | -19.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | I1273 W1282 N1288 L1315 S1316 | I1273-A1275 VanDerWaalsContact C-N 3.3Å; I1273-A1275 HydrophobicContact CG2-CB 4.41Å; I1273-A1275 PolarHBondContact O-N 2.92Å; A1275-W1282 HydrophobicContact CB-CZ2 4.2Å; A1275-W1282 WeakPolarHBondContact O-CZ2 3.37Å; A1275-W1282 PolarHBondContact O-NE1 3.15Å; A1275-N1288 HydrophobicContact CB-CB 4.15Å; A1275-N1288 WeakPolarHBondContact CB-O 3.46Å; A1275-L1315 HydrophobicContact CB-CB 4.29Å; A1275-L1315 HydrophobicContact CB-CD2 4.26Å; A1275-S1316 VanDerWaalsContact CB-OG 3.26Å; A1275-S1316 WeakPolarHBondContact CB-OG 3.48Å; A1275-S1316 PolarHBondContact N-OG 2.74Å |
| 1276 | L | 96.8 | Very high | 94.9 | Very high | 5 Ų | 5 | 52.8 Ų | 52.8 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -100.1 | -22.3 | 179.4 | -58.4 | 178.1 | 0 | 0 | 0 | 113.5 | L1217 R1270 I1273 P1274 W1282 L1315 | L1217-L1276 HydrophobicContact CB-CD1 4.22Å; L1217-L1276 HydrophobicContact CD2-CD1 4.24Å; L1217-L1276 WeakPolarHBondContact O-CD1 3.31Å; L1217-L1276 VanDerWaalsContact O-CD2 3.26Å; L1217-L1276 WeakPolarHBondContact O-CD2 3.38Å; R1270-L1276 HydrophobicContact CG-CB 4.12Å; R1270-L1276 HydrophobicContact CG-CD1 4.05Å; R1270-L1276 PolarHBondContact NH2-O 3.02Å; R1270-L1276 VanDerWaalsContact NH2-O 3.15Å; I1273-L1276 HydrophobicContact CB-CB 4.45Å; I1273-L1276 HydrophobicContact CB-CD1 3.96Å; I1273-L1276 HydrophobicContact CB-CG 4.17Å; I1273-L1276 HydrophobicContact CD1-CD1 3.89Å; I1273-L1276 HydrophobicContact CG2-CB 4.46Å; I1273-L1276 HydrophobicContact CG2-CD1 3.96Å; I1273-L1276 HydrophobicContact CG2-CG 3.84Å; I1273-L1276 PolarHBondContact O-N 2.89Å; P1274-L1276 PolarHBondContact O-N 3.26Å; L1276-W1282 HydrophobicContact CD2-CH2 4.12Å; L1276-W1282 HydrophobicContact CD2-CZ2 3.79Å; L1276-L1315 HydrophobicContact CD1-CD1 4.21Å; L1276-L1315 HydrophobicContact CD2-CD1 4.2Å; L1276-L1315 HydrophobicContact CG-CD1 4.24Å |
| 1277 | V | 96.3 | Very high | 94.6 | Very high | 35 Ų | 35 | 53.9 Ų | 53.9 | 21% | 0.212 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -104.4 | -25.5 | -177.9 | -69.5 | 0 | 0 | 0 | 0 | 114.1 | G861 I1273 P1274 N1279 | G861-V1277 CarbonylContact C-O 3.59Å; G861-V1277 WeakPolarHBondContact CA-O 3.39Å; G861-V1277 WeakPolarHBondContact O-CA 3.33Å; I1273-V1277 PolarHBondContact O-N 2.92Å; P1274-V1277 PolarHBondContact O-N 2.78Å; P1274-V1277 VanDerWaalsContact O-N 3.11Å; V1277-N1279 PolarHBondContact O-N 3.17Å |
| 1278 | E | 92.2 | Very high | 94.4 | Very high | 85 Ų | 85 | 54.1 Ų | 54.1 | 40% | 0.397 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -75.2 | 103.6 | 169.9 | -66.6 | -179.8 | -167.7 | 0 | 0 | 107.5 | P1274 R1280 | P1274-E1278 HydrophobicContact CB-CG 4.48Å; P1274-E1278 WeakPolarHBondContact O-CB 3.46Å; P1274-E1278 WeakPolarHBondContact O-CG 3.34Å; P1274-E1278 PolarHBondContact O-N 2.78Å; E1278-R1280 HydrophobicContact CB-CG 4.49Å; E1278-R1280 PolarHBondContact O-N 2.82Å; E1278-R1280 IonicContact OE2-CZ 2.74Å; E1278-R1280 IonicContact OE2-NE 3.76Å; E1278-R1280 IonicContact OE2-NH1 3Å; E1278-R1280 PolarHBondContact OE2-NH1 3.22Å; E1278-R1280 IonicContact OE2-NH2 3.63Å; E1278-R1280 PolarHBondContact OE2-NH2 3.15Å |
| 1279 | N | 94.8 | Very high | 94.4 | Very high | 41 Ų | 41 | 51.1 Ų | 51.1 | 22% | 0.219 | 26% | 0.262 | C | S | . | . | trans | -67.7 | 63 | -175.9 | -168.5 | 24.9 | 0 | 0 | 0 | 112.8 | L1143 P1144 S1145 V1277 | L1143-N1279 WeakPolarHBondContact CD1-ND2 3.5Å; P1144-N1279 WeakPolarHBondContact CD-OD1 3.18Å; S1145-N1279 WeakPolarHBondContact CB-ND2 3.39Å; S1145-N1279 VanDerWaalsContact CB-OD1 3.3Å; S1145-N1279 WeakPolarHBondContact CB-OD1 3.36Å; S1145-N1279 PolarHBondContact N-OD1 3.19Å; S1145-N1279 PolarHBondContact OG-ND2 3.15Å; S1145-N1279 PolarHBondContact OG-OD1 3.18Å; V1277-N1279 PolarHBondContact O-N 3.17Å | ||
| 1280 | R | 95.3 | Very high | 94.4 | Very high | 110 Ų | 110 | 56 Ų | 56 | 42% | 0.415 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -133.7 | 145.5 | -178.8 | 74.4 | 179.7 | -177.5 | -155.9 | -2.1 | 110.3 | P1144 Q1219 E1278 N1288 | P1144-R1280 WeakPolarHBondContact CG-O 3.26Å; Q1219-R1280 PolarHBondContact NE2-O 2.88Å; E1278-R1280 HydrophobicContact CB-CG 4.49Å; E1278-R1280 PolarHBondContact O-N 2.82Å; E1278-R1280 IonicContact OE2-CZ 2.74Å; E1278-R1280 IonicContact OE2-NE 3.76Å; E1278-R1280 IonicContact OE2-NH1 3Å; E1278-R1280 PolarHBondContact OE2-NH1 3.22Å; E1278-R1280 IonicContact OE2-NH2 3.63Å; E1278-R1280 PolarHBondContact OE2-NH2 3.15Å; R1280-N1288 VanDerWaalsContact CZ-ND2 3.27Å; R1280-N1288 PolarHBondContact NE-ND2 2.85Å; R1280-N1288 PolarHBondContact NH2-ND2 3.16Å; R1280-N1288 PolarHBondContact NH2-OD1 3.16Å |
| 1281 | W | 96 | Very high | 94.3 | Very high | 29 Ų | 29 | 58.3 Ų | 58.3 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | trans | -62.3 | 143.6 | 172.8 | -65.8 | 108.2 | 0 | 0 | 0 | 110.8 | A1132 S1134 F1137 K1138 R1142 P1144 | A1132-W1281 HydrophobicContact CB-CH2 4.15Å; A1132-W1281 HydrophobicContact CB-CZ3 3.74Å; S1134-W1281 VanDerWaalsContact CB-CZ3 3.45Å; F1137-W1281 HydrophobicContact CB-CH2 3.98Å; F1137-W1281 HydrophobicContact CB-CZ2 4.23Å; K1138-W1281 HydrophobicContact CB-CD2 4.06Å; K1138-W1281 HydrophobicContact CB-CE3 4.41Å; K1138-W1281 HydrophobicContact CB-CH2 4.16Å; K1138-W1281 HydrophobicContact CB-CZ2 3.79Å; K1138-W1281 HydrophobicContact CB-CZ3 4.45Å; K1138-W1281 HydrophobicContact CD-CB 4.23Å; K1138-W1281 HydrophobicContact CD-CD2 3.93Å; K1138-W1281 HydrophobicContact CD-CE3 4.38Å; K1138-W1281 HydrophobicContact CD-CG 3.84Å; K1138-W1281 HydrophobicContact CG-CD2 3.86Å; K1138-W1281 HydrophobicContact CG-CG 3.93Å; K1138-W1281 HydrophobicContact CG-CZ2 4.31Å; R1142-W1281 PolarHBondContact O-NE1 3.37Å; P1144-W1281 HydrophobicContact CB-CD2 4.4Å; P1144-W1281 HydrophobicContact CB-CE3 4.18Å; P1144-W1281 HydrophobicContact CB-CH2 4.2Å; P1144-W1281 HydrophobicContact CB-CZ2 4.41Å; P1144-W1281 HydrophobicContact CB-CZ3 4.08Å; P1144-W1281 HydrophobicContact CG-CD2 3.69Å; P1144-W1281 HydrophobicContact CG-CE3 3.82Å; P1144-W1281 HydrophobicContact CG-CG 4.08Å; P1144-W1281 HydrophobicContact CG-CH2 4.49Å; P1144-W1281 HydrophobicContact CG-CZ2 4.37Å; P1144-W1281 HydrophobicContact CG-CZ3 4.23Å | ||
| 1282 | W | 94.7 | Very high | 94.3 | Very high | 23 Ų | 23 | 54.6 Ų | 54.6 | 9% | 0.087 | 27% | 0.273 | C | S | . | . | trans | -80.9 | 132.4 | 172.8 | -58.5 | -24.7 | 0 | 0 | 0 | 109.2 | F1130 A1131 Q1219 A1275 L1276 N1288 V1289 W1291 L1315 | F1130-W1282 HydrophobicContact CD1-CH2 4.29Å; F1130-W1282 HydrophobicContact CD1-CZ3 4.34Å; F1130-W1282 HydrophobicContact CE1-CH2 4.3Å; A1131-W1282 HydrophobicContact CB-CE3 3.82Å; A1131-W1282 HydrophobicContact CB-CZ3 3.9Å; Q1219-W1282 HydrophobicContact CB-CH2 3.66Å; Q1219-W1282 HydrophobicContact CB-CZ2 3.64Å; Q1219-W1282 HydrophobicContact CB-CZ3 4.1Å; Q1219-W1282 HydrophobicContact CG-CD2 4.44Å; Q1219-W1282 HydrophobicContact CG-CH2 4.46Å; Q1219-W1282 HydrophobicContact CG-CZ2 3.99Å; A1275-W1282 HydrophobicContact CB-CZ2 4.2Å; A1275-W1282 WeakPolarHBondContact O-CZ2 3.37Å; A1275-W1282 PolarHBondContact O-NE1 3.15Å; L1276-W1282 HydrophobicContact CD2-CH2 4.12Å; L1276-W1282 HydrophobicContact CD2-CZ2 3.79Å; W1282-N1288 HydrophobicContact CB-CB 4.42Å; W1282-N1288 VanDerWaalsContact CD1-CB 3.49Å; W1282-N1288 HydrophobicContact CG-CB 4.02Å; W1282-V1289 HydrophobicContact CB-CB 4.46Å; W1282-V1289 HydrophobicContact CB-CG1 3.71Å; W1282-V1289 HydrophobicContact CD2-CB 3.95Å; W1282-V1289 HydrophobicContact CD2-CG1 4.02Å; W1282-V1289 HydrophobicContact CE3-CB 3.77Å; W1282-V1289 HydrophobicContact CE3-CG1 3.8Å; W1282-V1289 HydrophobicContact CE3-CG2 3.93Å; W1282-V1289 HydrophobicContact CG-CB 4.29Å; W1282-V1289 HydrophobicContact CG-CG1 4.05Å; W1282-V1289 HydrophobicContact CZ3-CB 4.29Å; W1282-V1289 HydrophobicContact CZ3-CG2 4Å; W1282-W1291 HydrophobicContact CE3-CZ2 4.46Å; W1282-W1291 HydrophobicContact CZ3-CZ2 4.15Å; W1282-L1315 HydrophobicContact CH2-CD2 3.63Å; W1282-L1315 HydrophobicContact CZ2-CD2 3.75Å; W1282-L1315 HydrophobicContact CZ3-CD2 4.3Å | ||
| 1283 | E | 91.6 | Very high | 94.4 | Very high | 102 Ų | 102 | 48.9 Ų | 48.9 | 48% | 0.477 | 25% | 0.253 | S | S | . | . | trans | -117.8 | 152.6 | 178.2 | -62.2 | -66.3 | 171.6 | 0 | 0 | 110.5 | K1138 G1285 D1286 | K1138-E1283 WeakPolarHBondContact CE-OE1 3.49Å; K1138-E1283 IonicContact NZ-OE1 3.07Å; K1138-E1283 PolarHBondContact NZ-OE1 3.05Å; K1138-E1283 IonicContact NZ-OE2 3.39Å; K1138-E1283 PolarHBondContact NZ-OE2 3.3Å; E1283-G1285 PolarHBondContact O-N 2.79Å; E1283-D1286 HydrophobicContact CB-CB 4.28Å; E1283-D1286 PolarHBondContact N-OD2 3.05Å; E1283-D1286 PolarHBondContact O-N 3.5Å | ||
| 1284 | E | 87.4 | Confident | 94.3 | Very high | 205 Ų | 205 | 52 Ų | 52 | 96% | 0.958 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 123.8 | 178.4 | -167.6 | 170.1 | -172.6 | 0 | 0 | 111 | ||
| 1285 | G | 88.8 | Confident | 94.2 | Very high | 80 Ų | 80 | 56.8 Ų | 56.8 | 83% | 0.825 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | 4.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | E1283 G1287 | E1283-G1285 PolarHBondContact O-N 2.79Å; G1285-G1287 VanDerWaalsContact C-N 3.3Å; G1285-G1287 PolarHBondContact O-N 3.28Å |
| 1286 | D | 92.4 | Very high | 94.1 | Very high | 56 Ų | 56 | 57.7 Ų | 57.7 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -80 | -6.2 | 178.8 | 71.3 | 2.7 | 0 | 0 | 0 | 114.7 | E1283 N1288 | E1283-D1286 HydrophobicContact CB-CB 4.28Å; E1283-D1286 PolarHBondContact N-OD2 3.05Å; E1283-D1286 PolarHBondContact O-N 3.5Å; D1286-N1288 VanDerWaalsContact C-N 3.31Å; D1286-N1288 PolarHBondContact O-N 3.26Å; D1286-N1288 VanDerWaalsContact OD1-CB 3.26Å; D1286-N1288 WeakPolarHBondContact OD1-CB 3.38Å; D1286-N1288 PolarHBondContact OD1-N 2.92Å; D1286-N1288 PolarHBondContact OD1-ND2 2.64Å; D1286-N1288 PolarHBondContact OD2-ND2 3.36Å |
| 1287 | G | 91.3 | Very high | 94.1 | Very high | 23 Ų | 23 | 63.2 Ų | 63.2 | 24% | 0.237 | 31% | 0.313 | C | S | . | . | S | Bend | trans | 79.8 | 2.2 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | G1285 S1316 D1317 | G1285-G1287 VanDerWaalsContact C-N 3.3Å; G1285-G1287 PolarHBondContact O-N 3.28Å; G1287-S1316 CarbonylContact O-C 3.46Å; G1287-S1316 VanDerWaalsContact O-CA 3.26Å; G1287-S1316 WeakPolarHBondContact O-CA 3.43Å; G1287-D1317 PolarHBondContact O-N 2.94Å |
| 1288 | N | 94.4 | Very high | 94 | Very high | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.027 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -79.9 | -40.3 | 178.7 | -69.1 | -48.5 | 0 | 0 | 0 | 113.1 | A1275 R1280 W1282 D1286 L1315 S1316 | A1275-N1288 HydrophobicContact CB-CB 4.15Å; A1275-N1288 WeakPolarHBondContact CB-O 3.46Å; R1280-N1288 VanDerWaalsContact CZ-ND2 3.27Å; R1280-N1288 PolarHBondContact NE-ND2 2.85Å; R1280-N1288 PolarHBondContact NH2-ND2 3.16Å; R1280-N1288 PolarHBondContact NH2-OD1 3.16Å; W1282-N1288 HydrophobicContact CB-CB 4.42Å; W1282-N1288 VanDerWaalsContact CD1-CB 3.49Å; W1282-N1288 HydrophobicContact CG-CB 4.02Å; D1286-N1288 VanDerWaalsContact C-N 3.31Å; D1286-N1288 PolarHBondContact O-N 3.26Å; D1286-N1288 VanDerWaalsContact OD1-CB 3.26Å; D1286-N1288 WeakPolarHBondContact OD1-CB 3.38Å; D1286-N1288 PolarHBondContact OD1-N 2.92Å; D1286-N1288 PolarHBondContact OD1-ND2 2.64Å; D1286-N1288 PolarHBondContact OD2-ND2 3.36Å; N1288-L1315 CarbonylContact O-C 3.49Å; N1288-L1315 VanDerWaalsContact O-CA 3.26Å; N1288-L1315 WeakPolarHBondContact O-CA 3.47Å; N1288-S1316 PolarHBondContact O-N 3.32Å |
| 1289 | V | 96 | Very high | 94.1 | Very high | 21 Ų | 21 | 62.8 Ų | 62.8 | 13% | 0.127 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 140.2 | -178.4 | 73.8 | 0 | 0 | 0 | 0 | 112.3 | W1282 W1291 I1313 L1314 L1315 | W1282-V1289 HydrophobicContact CB-CB 4.46Å; W1282-V1289 HydrophobicContact CB-CG1 3.71Å; W1282-V1289 HydrophobicContact CD2-CB 3.95Å; W1282-V1289 HydrophobicContact CD2-CG1 4.02Å; W1282-V1289 HydrophobicContact CE3-CB 3.77Å; W1282-V1289 HydrophobicContact CE3-CG1 3.8Å; W1282-V1289 HydrophobicContact CE3-CG2 3.93Å; W1282-V1289 HydrophobicContact CG-CB 4.29Å; W1282-V1289 HydrophobicContact CG-CG1 4.05Å; W1282-V1289 HydrophobicContact CZ3-CB 4.29Å; W1282-V1289 HydrophobicContact CZ3-CG2 4Å; V1289-W1291 HydrophobicContact CG2-CD2 4.29Å; V1289-W1291 HydrophobicContact CG2-CZ2 3.82Å; V1289-I1313 HydrophobicContact CG2-CG2 3.93Å; V1289-L1314 CarbonylContact C-O 3.23Å; V1289-L1314 VanDerWaalsContact CA-O 3.24Å; V1289-L1314 WeakPolarHBondContact CA-O 3.48Å; V1289-L1315 HydrophobicContact CB-CD2 4.3Å; V1289-L1315 HydrophobicContact CG2-CD2 3.96Å |
| 1290 | R | 96.2 | Very high | 94.1 | Very high | 108 Ų | 108 | 63.5 Ų | 63.5 | 41% | 0.408 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 135.2 | 160.6 | -54.2 | -172.2 | -41 | -150 | 5.2 | 110 | L1314 D1317 | R1290-L1314 HydrophobicContact CB-CB 4.29Å; R1290-L1314 PolarHBondContact N-O 2.92Å; R1290-L1314 PolarHBondContact O-N 2.85Å; R1290-D1317 IonicContact NH1-OD1 3.09Å |
| 1291 | W | 95.9 | Very high | 93.9 | Very high | 48 Ų | 48 | 64.3 Ų | 64.3 | 18% | 0.182 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 124.2 | 177.5 | -52 | 93.5 | 0 | 0 | 0 | 109.3 | A1127 F1130 A1131 W1282 V1289 L1299 W1304 L1311 I1313 | A1127-W1291 HydrophobicContact CB-CD2 4.18Å; A1127-W1291 HydrophobicContact CB-CE3 3.79Å; A1127-W1291 HydrophobicContact CB-CH2 3.73Å; A1127-W1291 HydrophobicContact CB-CZ2 4.1Å; A1127-W1291 HydrophobicContact CB-CZ3 3.54Å; F1130-W1291 HydrophobicContact CB-CH2 4.11Å; F1130-W1291 AromaticContact CD1-CH2 3.89Å; F1130-W1291 HydrophobicContact CD1-CH2 3.89Å; F1130-W1291 HydrophobicContact CD1-CZ3 4.49Å; F1130-W1291 HydrophobicContact CG-CH2 4.28Å; A1131-W1291 HydrophobicContact CB-CZ2 4.32Å; W1282-W1291 HydrophobicContact CE3-CZ2 4.46Å; W1282-W1291 HydrophobicContact CZ3-CZ2 4.15Å; V1289-W1291 HydrophobicContact CG2-CD2 4.29Å; V1289-W1291 HydrophobicContact CG2-CZ2 3.82Å; W1291-L1299 VanDerWaalsContact C-CD1 3.47Å; W1291-L1299 HydrophobicContact CB-CD1 3.86Å; W1291-W1304 HydrophobicContact CB-CH2 3.49Å; W1291-W1304 VanDerWaalsContact CB-CH2 3.49Å; W1291-W1304 HydrophobicContact CB-CZ2 3.61Å; W1291-W1304 AromaticContact CD2-CH2 3.9Å; W1291-W1304 HydrophobicContact CD2-CH2 3.9Å; W1291-W1304 HydrophobicContact CE3-CH2 4.2Å; W1291-W1304 AromaticContact CG-CH2 3.58Å; W1291-W1304 HydrophobicContact CG-CH2 3.58Å; W1291-W1304 AromaticContact CG-CZ2 3.94Å; W1291-W1304 HydrophobicContact CG-CZ2 3.94Å; W1291-L1311 HydrophobicContact CB-CD1 4.44Å; W1291-L1311 HydrophobicContact CE3-CD1 4Å; W1291-L1311 HydrophobicContact CE3-CD2 4.03Å; W1291-L1311 HydrophobicContact CE3-CG 4.5Å; W1291-L1311 HydrophobicContact CZ3-CD2 4.07Å; W1291-I1313 HydrophobicContact CE3-CB 4.44Å; W1291-I1313 HydrophobicContact CE3-CD1 4.31Å; W1291-I1313 HydrophobicContact CE3-CG1 3.83Å; W1291-I1313 HydrophobicContact CE3-CG2 4.11Å; W1291-I1313 HydrophobicContact CH2-CD1 4.3Å; W1291-I1313 HydrophobicContact CH2-CG2 4.16Å; W1291-I1313 HydrophobicContact CZ3-CB 4.33Å; W1291-I1313 HydrophobicContact CZ3-CD1 3.56Å; W1291-I1313 HydrophobicContact CZ3-CG1 3.6Å; W1291-I1313 HydrophobicContact CZ3-CG2 3.86Å |
| 1292 | L | 96.2 | Very high | 93.8 | Very high | 7 Ų | 7 | 67.9 Ų | 67.9 | 4% | 0.037 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 146.2 | -175.1 | -51.7 | 169.7 | 0 | 0 | 0 | 110.7 | Q1297 P1298 L1299 Q1312 P1335 | L1292-Q1297 CarbonylContact C-O 3.56Å; L1292-Q1297 VanDerWaalsContact CA-O 3.23Å; L1292-Q1297 WeakPolarHBondContact CA-O 3.2Å; L1292-P1298 HydrophobicContact CD2-CG 4.49Å; L1292-L1299 VanDerWaalsContact C-CD1 3.42Å; L1292-Q1312 HydrophobicContact CB-CB 3.96Å; L1292-Q1312 PolarHBondContact N-O 3.32Å; L1292-Q1312 PolarHBondContact O-N 2.72Å; L1292-P1335 HydrophobicContact CD1-CG 3.68Å |
| 1293 | N | 95.9 | Very high | 93.9 | Very high | 15 Ų | 15 | 69.1 Ų | 69.1 | 8% | 0.08 | 37% | 0.371 | C | S | . | . | trans | -76 | -177.3 | 172.6 | 69.9 | 11.2 | 0 | 0 | 0 | 111.4 | Y1295 A1296 Q1297 L1299 E1303 Q1312 | N1293-Y1295 PolarHBondContact O-N 2.82Å; N1293-Y1295 WeakPolarHBondContact OD1-CA 3.32Å; N1293-Y1295 PolarHBondContact OD1-N 3.01Å; N1293-A1296 PolarHBondContact O-N 2.89Å; N1293-A1296 VanDerWaalsContact O-N 3.11Å; N1293-A1296 PolarHBondContact OD1-N 3.29Å; N1293-Q1297 PolarHBondContact N-O 2.82Å; N1293-Q1297 PolarHBondContact OD1-N 2.78Å; N1293-Q1297 VanDerWaalsContact OD1-N 3.08Å; N1293-Q1297 PolarHBondContact OD1-O 2.75Å; N1293-L1299 HydrophobicContact CB-CG 4.23Å; N1293-E1303 PolarHBondContact ND2-OE1 3.06Å; N1293-Q1312 PolarHBondContact O-NE2 3.04Å | ||
| 1294 | R | 94.6 | Very high | 94 | Very high | 65 Ų | 65 | 67.1 Ų | 67.1 | 25% | 0.245 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -14.6 | 177.7 | 69.8 | 176.7 | -67.5 | -156.7 | -6.5 | 115.4 | Q1310 E1331 I1332 V1333 | R1294-Q1310 HydrophobicContact CB-CB 4.26Å; R1294-Q1310 VanDerWaalsContact CD-OE1 3.27Å; R1294-E1331 PolarHBondContact NE-O 3.37Å; R1294-E1331 PolarHBondContact NH2-O 2.95Å; R1294-E1331 VanDerWaalsContact NH2-O 3.08Å; R1294-I1332 HydrophobicContact CB-CG1 4.37Å; R1294-V1333 PolarHBondContact O-N 3.07Å |
| 1295 | Y | 95.3 | Very high | 94.4 | Very high | 128 Ų | 128 | 62.4 Ų | 62.4 | 50% | 0.502 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 14.9 | -178.5 | -53.9 | -67.1 | 0 | 0 | 0 | 112.5 | N1293 Q1297 | N1293-Y1295 PolarHBondContact O-N 2.82Å; N1293-Y1295 WeakPolarHBondContact OD1-CA 3.32Å; N1293-Y1295 PolarHBondContact OD1-N 3.01Å; Y1295-Q1297 PolarHBondContact O-N 2.96Å |
| 1296 | A | 94.6 | Very high | 94.6 | Very high | 21 Ų | 21 | 64.4 Ų | 64.4 | 17% | 0.174 | 33% | 0.329 | C | S | . | . | S | Bend | trans | 57.5 | 29.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | N1293 V1333 P1335 | N1293-A1296 PolarHBondContact O-N 2.89Å; N1293-A1296 VanDerWaalsContact O-N 3.11Å; N1293-A1296 PolarHBondContact OD1-N 3.29Å; A1296-V1333 WeakPolarHBondContact CB-O 3.33Å; A1296-P1335 HydrophobicContact CB-CB 4.29Å; A1296-P1335 HydrophobicContact CB-CG 4.09Å |
| 1297 | Q | 95.4 | Very high | 94.5 | Very high | 121 Ų | 121 | 62.2 Ų | 62.2 | 57% | 0.565 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -106.3 | 150.6 | 173.6 | -63.5 | -73.6 | -37.2 | 0 | 0 | 110.1 | L1292 N1293 Y1295 L1299 | L1292-Q1297 CarbonylContact C-O 3.56Å; L1292-Q1297 VanDerWaalsContact CA-O 3.23Å; L1292-Q1297 WeakPolarHBondContact CA-O 3.2Å; N1293-Q1297 PolarHBondContact N-O 2.82Å; N1293-Q1297 PolarHBondContact OD1-N 2.78Å; N1293-Q1297 VanDerWaalsContact OD1-N 3.08Å; N1293-Q1297 PolarHBondContact OD1-O 2.75Å; Y1295-Q1297 PolarHBondContact O-N 2.96Å; Q1297-L1299 PolarHBondContact O-N 2.87Å |
| 1298 | P | 94.6 | Very high | 94.5 | Very high | 93 Ų | 93 | 64.8 Ų | 64.8 | 60% | 0.604 | 33% | 0.332 | S | S | * | . | B | Isolated β-bridge | trans | -53.6 | 139.2 | 170.7 | -23.4 | 33.5 | 0 | 0 | 0 | 111.7 | L1292 | L1292-P1298 HydrophobicContact CD2-CG 4.49Å |
| 1299 | L | 94.6 | Very high | 94.5 | Very high | 18 Ų | 18 | 66.3 Ų | 66.3 | 9% | 0.094 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 134.1 | 177.9 | -70.7 | 94.4 | 0 | 0 | 0 | 111 | L1123 W1291 L1292 N1293 Q1297 E1303 W1304 L1311 | L1123-L1299 HydrophobicContact CD1-CD2 3.67Å; W1291-L1299 VanDerWaalsContact C-CD1 3.47Å; W1291-L1299 HydrophobicContact CB-CD1 3.86Å; L1292-L1299 VanDerWaalsContact C-CD1 3.42Å; N1293-L1299 HydrophobicContact CB-CG 4.23Å; Q1297-L1299 PolarHBondContact O-N 2.87Å; L1299-E1303 HydrophobicContact CB-CB 4.33Å; L1299-E1303 HydrophobicContact CD2-CB 4.25Å; L1299-W1304 HydrophobicContact CB-CD2 4.05Å; L1299-W1304 HydrophobicContact CB-CG 4.25Å; L1299-W1304 HydrophobicContact CB-CZ2 4.17Å; L1299-W1304 HydrophobicContact CD1-CH2 4.18Å; L1299-W1304 HydrophobicContact CD1-CZ2 4.03Å; L1299-W1304 HydrophobicContact CD2-CD2 4.1Å; L1299-W1304 HydrophobicContact CD2-CE3 4.02Å; L1299-W1304 HydrophobicContact CD2-CZ3 4.3Å; L1299-L1311 HydrophobicContact CD1-CD1 3.89Å |
| 1300 | S | 94.5 | Very high | 94.4 | Very high | 56 Ų | 56 | 66 Ų | 66 | 39% | 0.392 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 161.6 | 168 | 64.4 | 0 | 0 | 0 | 0 | 112 | D1302 E1303 W1304 | S1300-D1302 PolarHBondContact O-N 3.32Å; S1300-E1303 WeakPolarHBondContact CB-OE2 2.71Å; S1300-E1303 PolarHBondContact N-OE2 3.06Å; S1300-E1303 PolarHBondContact O-N 2.87Å; S1300-E1303 VanDerWaalsContact O-N 3.13Å; S1300-E1303 WeakPolarHBondContact OG-CG 3.46Å; S1300-E1303 PolarHBondContact OG-N 3.19Å; S1300-E1303 PolarHBondContact OG-OE2 3.07Å; S1300-W1304 VanDerWaalsContact O-CD1 3.22Å; S1300-W1304 PolarHBondContact O-N 3Å; S1300-W1304 VanDerWaalsContact O-N 3.08Å |
| 1301 | T | 91.1 | Very high | 94.4 | Very high | 127 Ų | 127 | 60.9 Ų | 60.9 | 78% | 0.779 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -56 | -35.8 | 178.5 | -41.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1302 | D | 95.1 | Very high | 94.5 | Very high | 103 Ų | 103 | 58.6 Ų | 58.6 | 55% | 0.551 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -73 | -42.6 | 176.9 | -175.6 | 57.1 | 0 | 0 | 0 | 111.8 | S1300 W1304 Q1305 N1306 | S1300-D1302 PolarHBondContact O-N 3.32Å; D1302-W1304 PolarHBondContact O-N 2.87Å; D1302-Q1305 PolarHBondContact O-N 3.04Å; D1302-Q1305 VanDerWaalsContact O-N 3.07Å; D1302-N1306 PolarHBondContact O-N 3.11Å; D1302-N1306 PolarHBondContact OD1-ND2 3.11Å |
| 1303 | E | 95.4 | Very high | 94.5 | Very high | 49 Ų | 49 | 58.3 Ų | 58.3 | 23% | 0.229 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.6 | -35.8 | 176.6 | -75.8 | 167.9 | 122.8 | 0 | 0 | 112 | N1293 L1299 S1300 Q1305 G1307 | N1293-E1303 PolarHBondContact ND2-OE1 3.06Å; L1299-E1303 HydrophobicContact CB-CB 4.33Å; L1299-E1303 HydrophobicContact CD2-CB 4.25Å; S1300-E1303 WeakPolarHBondContact CB-OE2 2.71Å; S1300-E1303 PolarHBondContact N-OE2 3.06Å; S1300-E1303 PolarHBondContact O-N 2.87Å; S1300-E1303 VanDerWaalsContact O-N 3.13Å; S1300-E1303 WeakPolarHBondContact OG-CG 3.46Å; S1300-E1303 PolarHBondContact OG-N 3.19Å; S1300-E1303 PolarHBondContact OG-OE2 3.07Å; E1303-Q1305 PolarHBondContact O-N 2.92Å; E1303-G1307 VanDerWaalsContact O-CA 3.24Å; E1303-G1307 WeakPolarHBondContact O-CA 3.41Å; E1303-G1307 PolarHBondContact O-N 2.88Å |
| 1304 | W | 95.4 | Very high | 94.6 | Very high | 60 Ų | 60 | 57.7 Ų | 57.7 | 23% | 0.227 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.8 | -34.5 | 175.9 | -81.4 | 118.9 | 0 | 0 | 0 | 113.8 | L1123 G1124 A1127 W1291 L1299 S1300 D1302 | L1123-W1304 HydrophobicContact CB-CE3 4.01Å; L1123-W1304 HydrophobicContact CB-CZ3 4.39Å; L1123-W1304 PolarHBondContact N-O 2.91Å; G1124-W1304 VanDerWaalsContact CA-CE3 3.41Å; G1124-W1304 PolarHBondContact N-O 2.8Å; A1127-W1304 HydrophobicContact CB-CH2 3.85Å; A1127-W1304 HydrophobicContact CB-CZ3 3.54Å; W1291-W1304 HydrophobicContact CB-CH2 3.49Å; W1291-W1304 VanDerWaalsContact CB-CH2 3.49Å; W1291-W1304 HydrophobicContact CB-CZ2 3.61Å; W1291-W1304 AromaticContact CD2-CH2 3.9Å; W1291-W1304 HydrophobicContact CD2-CH2 3.9Å; W1291-W1304 HydrophobicContact CE3-CH2 4.2Å; W1291-W1304 AromaticContact CG-CH2 3.58Å; W1291-W1304 HydrophobicContact CG-CH2 3.58Å; W1291-W1304 AromaticContact CG-CZ2 3.94Å; W1291-W1304 HydrophobicContact CG-CZ2 3.94Å; L1299-W1304 HydrophobicContact CB-CD2 4.05Å; L1299-W1304 HydrophobicContact CB-CG 4.25Å; L1299-W1304 HydrophobicContact CB-CZ2 4.17Å; L1299-W1304 HydrophobicContact CD1-CH2 4.18Å; L1299-W1304 HydrophobicContact CD1-CZ2 4.03Å; L1299-W1304 HydrophobicContact CD2-CD2 4.1Å; L1299-W1304 HydrophobicContact CD2-CE3 4.02Å; L1299-W1304 HydrophobicContact CD2-CZ3 4.3Å; S1300-W1304 VanDerWaalsContact O-CD1 3.22Å; S1300-W1304 PolarHBondContact O-N 3Å; S1300-W1304 VanDerWaalsContact O-N 3.08Å; D1302-W1304 PolarHBondContact O-N 2.87Å |
| 1305 | Q | 94.4 | Very high | 94.7 | Very high | 107 Ų | 107 | 54.6 Ų | 54.6 | 50% | 0.5 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -99.6 | -45.1 | -175.8 | -65.8 | -59.4 | -18 | 0 | 0 | 112.8 | D1302 E1303 | D1302-Q1305 PolarHBondContact O-N 3.04Å; D1302-Q1305 VanDerWaalsContact O-N 3.07Å; E1303-Q1305 PolarHBondContact O-N 2.92Å |
| 1306 | N | 94 | Very high | 94.7 | Very high | 121 Ų | 121 | 49.1 Ų | 49.1 | 65% | 0.647 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -116.8 | -2.2 | -169.5 | -56.9 | -50.4 | 0 | 0 | 0 | 113.5 | D1302 | D1302-N1306 PolarHBondContact O-N 3.11Å; D1302-N1306 PolarHBondContact OD1-ND2 3.11Å |
| 1307 | G | 90 | Very high | 94.7 | Very high | 10 Ų | 10 | 51 Ų | 51 | 10% | 0.103 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -65 | 157.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | E1303 | E1303-G1307 VanDerWaalsContact O-CA 3.24Å; E1303-G1307 WeakPolarHBondContact O-CA 3.41Å; E1303-G1307 PolarHBondContact O-N 2.88Å |
| 1308 | P | 91.3 | Very high | 94.6 | Very high | 78 Ų | 78 | 51.7 Ų | 51.7 | 51% | 0.506 | 28% | 0.277 | S | S | . | . | trans | -58.4 | 149.6 | 170.4 | 27.1 | -33.6 | 0 | 0 | 0 | 109.8 | L1123 Q1310 | L1123-P1308 WeakPolarHBondContact CD1-O 3.33Å; P1308-Q1310 PolarHBondContact O-N 3.08Å | ||
| 1309 | K | 94 | Very high | 94.7 | Very high | 37 Ų | 37 | 47.7 Ų | 47.7 | 16% | 0.161 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -74.4 | 53.8 | -176.5 | -53.6 | -62.1 | 174.3 | -155.9 | 0 | 113 | F1115 L1121 P1122 A1325 T1326 | F1115-K1309 HydrophobicContact CD2-CD 4.34Å; F1115-K1309 HydrophobicContact CE2-CB 4.27Å; F1115-K1309 HydrophobicContact CE2-CD 3.76Å; F1115-K1309 HydrophobicContact CE2-CG 4.42Å; F1115-K1309 HydrophobicContact CZ-CB 4.22Å; L1121-K1309 WeakPolarHBondContact O-CE 3.46Å; L1121-K1309 PolarHBondContact O-NZ 2.73Å; P1122-K1309 VanDerWaalsContact CA-NZ 3.33Å; K1309-A1325 HydrophobicContact CB-CB 3.89Å; K1309-A1325 PolarHBondContact O-N 3.06Å; K1309-T1326 HydrophobicContact CB-CG2 4.42Å |
| 1310 | Q | 95 | Very high | 94.8 | Very high | 14 Ų | 14 | 46.8 Ų | 46.8 | 7% | 0.065 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 124.3 | 179.2 | -68.8 | 157.4 | 3.3 | 0 | 0 | 107.9 | R1294 P1308 I1323 T1326 T1330 | R1294-Q1310 HydrophobicContact CB-CB 4.26Å; R1294-Q1310 VanDerWaalsContact CD-OE1 3.27Å; P1308-Q1310 PolarHBondContact O-N 3.08Å; Q1310-I1323 WeakPolarHBondContact CA-O 3.36Å; Q1310-T1326 HydrophobicContact CG-CG2 3.96Å; Q1310-T1330 PolarHBondContact NE2-OG1 2.99Å |
| 1311 | L | 95.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 146 | -171.7 | 168.8 | 65.4 | 0 | 0 | 0 | 110.1 | L1123 F1126 W1291 L1299 I1313 I1323 | L1123-L1311 HydrophobicContact CD2-CB 3.97Å; L1123-L1311 HydrophobicContact CD2-CD2 4.47Å; F1126-L1311 HydrophobicContact CD1-CD2 4.12Å; F1126-L1311 HydrophobicContact CE1-CD2 4.24Å; W1291-L1311 HydrophobicContact CB-CD1 4.44Å; W1291-L1311 HydrophobicContact CE3-CD1 4Å; W1291-L1311 HydrophobicContact CE3-CD2 4.03Å; W1291-L1311 HydrophobicContact CE3-CG 4.5Å; W1291-L1311 HydrophobicContact CZ3-CD2 4.07Å; L1299-L1311 HydrophobicContact CD1-CD1 3.89Å; L1311-I1313 HydrophobicContact CD1-CG1 4.49Å; L1311-I1313 HydrophobicContact CD2-CD1 4.05Å; L1311-I1313 HydrophobicContact CD2-CG1 3.86Å; L1311-I1313 HydrophobicContact CG-CG1 3.93Å; L1311-I1323 HydrophobicContact CB-CB 4.42Å; L1311-I1323 HydrophobicContact CD2-CD1 4.4Å; L1311-I1323 PolarHBondContact N-O 2.84Å; L1311-I1323 WeakPolarHBondContact O-CB 3.45Å; L1311-I1323 PolarHBondContact O-N 2.78Å |
| 1312 | Q | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 128.8 | 168.7 | -70.7 | -177.7 | 85.2 | 0 | 0 | 109.2 | L1292 N1293 L1320 I1321 A1322 I1332 V1333 | L1292-Q1312 HydrophobicContact CB-CB 3.96Å; L1292-Q1312 PolarHBondContact N-O 3.32Å; L1292-Q1312 PolarHBondContact O-N 2.72Å; N1293-Q1312 PolarHBondContact O-NE2 3.04Å; Q1312-L1320 HydrophobicContact CB-CD1 4.16Å; Q1312-I1321 CarbonylContact C-O 3.45Å; Q1312-I1321 VanDerWaalsContact CA-O 3.27Å; Q1312-I1321 WeakPolarHBondContact CA-O 3.4Å; Q1312-A1322 HydrophobicContact CG-CB 4.28Å; Q1312-I1332 VanDerWaalsContact CD-CG2 3.49Å; Q1312-I1332 HydrophobicContact CG-CG2 3.79Å; Q1312-V1333 PolarHBondContact NE2-O 3.13Å; Q1312-V1333 PolarHBondContact OE1-O 2.96Å |
| 1313 | I | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 108.3 | 179.6 | -45 | 175 | 0 | 0 | 0 | 107.5 | F1130 V1289 W1291 L1311 L1315 L1320 I1321 I1323 | F1130-I1313 HydrophobicContact CD1-CD1 4.03Å; F1130-I1313 HydrophobicContact CD2-CD1 4.17Å; F1130-I1313 HydrophobicContact CE1-CD1 3.85Å; F1130-I1313 HydrophobicContact CE1-CG2 4.37Å; F1130-I1313 HydrophobicContact CE2-CD1 4Å; F1130-I1313 HydrophobicContact CG-CD1 4.19Å; F1130-I1313 HydrophobicContact CZ-CD1 3.83Å; V1289-I1313 HydrophobicContact CG2-CG2 3.93Å; W1291-I1313 HydrophobicContact CE3-CB 4.44Å; W1291-I1313 HydrophobicContact CE3-CD1 4.31Å; W1291-I1313 HydrophobicContact CE3-CG1 3.83Å; W1291-I1313 HydrophobicContact CE3-CG2 4.11Å; W1291-I1313 HydrophobicContact CH2-CD1 4.3Å; W1291-I1313 HydrophobicContact CH2-CG2 4.16Å; W1291-I1313 HydrophobicContact CZ3-CB 4.33Å; W1291-I1313 HydrophobicContact CZ3-CD1 3.56Å; W1291-I1313 HydrophobicContact CZ3-CG1 3.6Å; W1291-I1313 HydrophobicContact CZ3-CG2 3.86Å; L1311-I1313 HydrophobicContact CD1-CG1 4.49Å; L1311-I1313 HydrophobicContact CD2-CD1 4.05Å; L1311-I1313 HydrophobicContact CD2-CG1 3.86Å; L1311-I1313 HydrophobicContact CG-CG1 3.93Å; I1313-L1315 HydrophobicContact CG2-CD2 4.01Å; I1313-L1315 HydrophobicContact CG2-CG 4.18Å; I1313-L1320 CarbonylContact O-C 3.59Å; I1313-L1320 WeakPolarHBondContact O-CA 3.15Å; I1313-I1321 HydrophobicContact CB-CB 4.21Å; I1313-I1321 PolarHBondContact N-O 3.06Å; I1313-I1321 PolarHBondContact O-N 3.1Å; I1313-I1323 HydrophobicContact CD1-CD1 3.93Å; I1313-I1323 HydrophobicContact CG1-CD1 4.48Å |
| 1314 | L | 96.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 115.6 | 175.4 | 179.1 | 63.9 | 0 | 0 | 0 | 110 | V1289 R1290 F1319 L1320 W1339 | V1289-L1314 CarbonylContact C-O 3.23Å; V1289-L1314 VanDerWaalsContact CA-O 3.24Å; V1289-L1314 WeakPolarHBondContact CA-O 3.48Å; R1290-L1314 HydrophobicContact CB-CB 4.29Å; R1290-L1314 PolarHBondContact N-O 2.92Å; R1290-L1314 PolarHBondContact O-N 2.85Å; L1314-F1319 CarbonylContact C-O 3.47Å; L1314-L1320 HydrophobicContact CB-CD1 3.9Å; L1314-L1320 HydrophobicContact CD1-CB 4.16Å; L1314-L1320 HydrophobicContact CD1-CD1 4.19Å; L1314-W1339 HydrophobicContact CD1-CH2 3.43Å; L1314-W1339 VanDerWaalsContact CD1-CH2 3.43Å; L1314-W1339 HydrophobicContact CD1-CZ2 4.28Å; L1314-W1339 HydrophobicContact CD1-CZ3 4.15Å |
| 1315 | L | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 132.3 | 179.8 | -61.7 | 174.3 | 0 | 0 | 0 | 111.7 | I1273 A1275 L1276 W1282 N1288 V1289 I1313 D1317 R1318 F1319 I1321 | I1273-L1315 HydrophobicContact CG2-CB 3.91Å; I1273-L1315 HydrophobicContact CG2-CD1 4.15Å; A1275-L1315 HydrophobicContact CB-CB 4.29Å; A1275-L1315 HydrophobicContact CB-CD2 4.26Å; L1276-L1315 HydrophobicContact CD1-CD1 4.21Å; L1276-L1315 HydrophobicContact CD2-CD1 4.2Å; L1276-L1315 HydrophobicContact CG-CD1 4.24Å; W1282-L1315 HydrophobicContact CH2-CD2 3.63Å; W1282-L1315 HydrophobicContact CZ2-CD2 3.75Å; W1282-L1315 HydrophobicContact CZ3-CD2 4.3Å; N1288-L1315 CarbonylContact O-C 3.49Å; N1288-L1315 VanDerWaalsContact O-CA 3.26Å; N1288-L1315 WeakPolarHBondContact O-CA 3.47Å; V1289-L1315 HydrophobicContact CB-CD2 4.3Å; V1289-L1315 HydrophobicContact CG2-CD2 3.96Å; I1313-L1315 HydrophobicContact CG2-CD2 4.01Å; I1313-L1315 HydrophobicContact CG2-CG 4.18Å; L1315-D1317 PolarHBondContact O-N 3.39Å; L1315-R1318 PolarHBondContact O-N 3.45Å; L1315-R1318 VanDerWaalsContact O-N 3.07Å; L1315-F1319 HydrophobicContact CB-CB 4.41Å; L1315-F1319 PolarHBondContact N-O 3.26Å; L1315-F1319 PolarHBondContact O-N 3.12Å; L1315-I1321 HydrophobicContact CD1-CD1 3.96Å |
| 1316 | S | 95.8 | Very high | 95 | Very high | 14 Ų | 14 | 24.6 Ų | 24.6 | 10% | 0.098 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 31.1 | 178.2 | -55.5 | 0 | 0 | 0 | 0 | 114.5 | A1275 G1287 N1288 R1318 | A1275-S1316 VanDerWaalsContact CB-OG 3.26Å; A1275-S1316 WeakPolarHBondContact CB-OG 3.48Å; A1275-S1316 PolarHBondContact N-OG 2.74Å; G1287-S1316 CarbonylContact O-C 3.46Å; G1287-S1316 VanDerWaalsContact O-CA 3.26Å; G1287-S1316 WeakPolarHBondContact O-CA 3.43Å; N1288-S1316 PolarHBondContact O-N 3.32Å; S1316-R1318 WeakPolarHBondContact O-CB 3.34Å; S1316-R1318 WeakPolarHBondContact O-CG 3.49Å; S1316-R1318 PolarHBondContact O-N 2.93Å |
| 1317 | D | 93.5 | Very high | 94.7 | Very high | 60 Ų | 60 | 24.9 Ų | 24.9 | 32% | 0.321 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 14.3 | -173.2 | -73.8 | -45.3 | 0 | 0 | 0 | 116.1 | G1287 R1290 L1315 | G1287-D1317 PolarHBondContact O-N 2.94Å; R1290-D1317 IonicContact NH1-OD1 3.09Å; L1315-D1317 PolarHBondContact O-N 3.39Å |
| 1318 | R | 94.9 | Very high | 94.7 | Very high | 136 Ų | 136 | 31.3 Ų | 31.3 | 51% | 0.513 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -131.5 | -25.4 | -169.8 | -76.9 | -174.3 | -79.2 | -179.9 | -4.2 | 114.4 | L1315 S1316 Q1368 R1369 | L1315-R1318 PolarHBondContact O-N 3.45Å; L1315-R1318 VanDerWaalsContact O-N 3.07Å; S1316-R1318 WeakPolarHBondContact O-CB 3.34Å; S1316-R1318 WeakPolarHBondContact O-CG 3.49Å; S1316-R1318 PolarHBondContact O-N 2.93Å; R1318-Q1368 CarbonylContact O-C 3.2Å; R1318-Q1368 WeakPolarHBondContact O-CA 3.32Å; R1318-R1369 PolarHBondContact O-N 3.41Å |
| 1319 | F | 96 | Very high | 94.8 | Very high | 8 Ų | 8 | 31.8 Ų | 31.8 | 4% | 0.035 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 120.5 | -176.6 | -61.4 | -85.7 | 0 | 0 | 0 | 109.8 | L1269 I1273 L1314 L1315 I1342 F1367 Q1368 | L1269-F1319 HydrophobicContact CD1-CD1 4.41Å; L1269-F1319 HydrophobicContact CD1-CE1 4.28Å; I1273-F1319 HydrophobicContact CB-CD2 4.27Å; I1273-F1319 HydrophobicContact CB-CE2 4.46Å; I1273-F1319 HydrophobicContact CD1-CB 4.27Å; I1273-F1319 HydrophobicContact CD1-CD1 4.37Å; I1273-F1319 HydrophobicContact CD1-CG 4.2Å; I1273-F1319 HydrophobicContact CG1-CB 4.3Å; I1273-F1319 HydrophobicContact CG1-CD1 4.01Å; I1273-F1319 HydrophobicContact CG1-CD2 3.78Å; I1273-F1319 HydrophobicContact CG1-CE1 4.23Å; I1273-F1319 HydrophobicContact CG1-CE2 4Å; I1273-F1319 HydrophobicContact CG1-CG 3.77Å; I1273-F1319 HydrophobicContact CG1-CZ 4.22Å; I1273-F1319 HydrophobicContact CG2-CD2 4.08Å; L1314-F1319 CarbonylContact C-O 3.47Å; L1315-F1319 HydrophobicContact CB-CB 4.41Å; L1315-F1319 PolarHBondContact N-O 3.26Å; L1315-F1319 PolarHBondContact O-N 3.12Å; F1319-I1342 HydrophobicContact CD1-CD1 4.35Å; F1319-F1367 CarbonylContact C-O 3.58Å; F1319-F1367 WeakPolarHBondContact CA-O 3.4Å; F1319-Q1368 HydrophobicContact CD1-CB 4.33Å; F1319-Q1368 HydrophobicContact CD1-CG 4.17Å; F1319-Q1368 HydrophobicContact CE1-CB 4.38Å; F1319-Q1368 HydrophobicContact CE1-CG 3.89Å |
| 1320 | L | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 119.8 | -176 | -178.8 | 76.1 | 0 | 0 | 0 | 110 | Q1312 I1313 L1314 L1334 P1335 W1339 V1366 F1367 | Q1312-L1320 HydrophobicContact CB-CD1 4.16Å; I1313-L1320 CarbonylContact O-C 3.59Å; I1313-L1320 WeakPolarHBondContact O-CA 3.15Å; L1314-L1320 HydrophobicContact CB-CD1 3.9Å; L1314-L1320 HydrophobicContact CD1-CB 4.16Å; L1314-L1320 HydrophobicContact CD1-CD1 4.19Å; L1320-L1334 HydrophobicContact CD2-CB 4.41Å; L1320-L1334 HydrophobicContact CD2-CD2 3.84Å; L1320-P1335 HydrophobicContact CD1-CG 4.1Å; L1320-P1335 HydrophobicContact CD2-CG 4.08Å; L1320-W1339 HydrophobicContact CB-CE3 3.89Å; L1320-W1339 HydrophobicContact CB-CH2 3.94Å; L1320-W1339 HydrophobicContact CB-CZ3 3.5Å; L1320-W1339 HydrophobicContact CD2-CD2 4.31Å; L1320-W1339 HydrophobicContact CD2-CE3 4.37Å; L1320-V1366 CarbonylContact O-C 3.56Å; L1320-V1366 WeakPolarHBondContact O-CA 3.36Å; L1320-F1367 HydrophobicContact CB-CB 4.32Å; L1320-F1367 PolarHBondContact N-O 2.87Å; L1320-F1367 PolarHBondContact O-N 3.18Å |
| 1321 | I | 96.5 | Very high | 94.6 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.015 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 114.8 | 172.2 | -47.2 | -178.8 | 0 | 0 | 0 | 107.6 | F1130 L1217 Q1312 I1313 L1315 I1323 V1366 | F1130-I1321 HydrophobicContact CE1-CD1 4.5Å; F1130-I1321 HydrophobicContact CZ-CD1 3.79Å; L1217-I1321 HydrophobicContact CB-CD1 3.98Å; L1217-I1321 HydrophobicContact CD1-CD1 4.11Å; Q1312-I1321 CarbonylContact C-O 3.45Å; Q1312-I1321 VanDerWaalsContact CA-O 3.27Å; Q1312-I1321 WeakPolarHBondContact CA-O 3.4Å; I1313-I1321 HydrophobicContact CB-CB 4.21Å; I1313-I1321 PolarHBondContact N-O 3.06Å; I1313-I1321 PolarHBondContact O-N 3.1Å; L1315-I1321 HydrophobicContact CD1-CD1 3.96Å; I1321-I1323 HydrophobicContact CG2-CD1 4.3Å; I1321-I1323 HydrophobicContact CG2-CG1 4.03Å; I1321-V1366 HydrophobicContact CG1-CG2 4.14Å; I1321-V1366 HydrophobicContact CG2-CG2 4.29Å |
| 1322 | A | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 127.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q1312 W1357 L1364 C1365 F1367 | Q1312-A1322 HydrophobicContact CG-CB 4.28Å; A1322-W1357 HydrophobicContact CB-CD2 4.49Å; A1322-W1357 HydrophobicContact CB-CE3 3.63Å; A1322-W1357 HydrophobicContact CB-CZ3 3.72Å; A1322-L1364 CarbonylContact O-C 3.34Å; A1322-L1364 WeakPolarHBondContact O-CA 3.42Å; A1322-L1364 VanDerWaalsContact O-CB 3.31Å; A1322-L1364 WeakPolarHBondContact O-CB 3.46Å; A1322-C1365 PolarHBondContact N-O 3.04Å; A1322-C1365 PolarHBondContact O-N 2.73Å; A1322-F1367 HydrophobicContact CB-CD2 4.48Å; A1322-F1367 HydrophobicContact CB-CE2 3.98Å |
| 1323 | I | 96.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 126.9 | -173.1 | -64.3 | 174.2 | 0 | 0 | 0 | 109.1 | F1115 W1116 F1126 Q1310 L1311 I1313 I1321 A1325 L1364 | F1115-I1323 HydrophobicContact CE1-CG2 4.2Å; F1115-I1323 HydrophobicContact CZ-CG2 4.45Å; W1116-I1323 HydrophobicContact CH2-CG2 3.67Å; W1116-I1323 HydrophobicContact CZ2-CG2 3.83Å; F1126-I1323 HydrophobicContact CE1-CD1 4Å; F1126-I1323 HydrophobicContact CZ-CD1 4.38Å; Q1310-I1323 WeakPolarHBondContact CA-O 3.36Å; L1311-I1323 HydrophobicContact CB-CB 4.42Å; L1311-I1323 HydrophobicContact CD2-CD1 4.4Å; L1311-I1323 PolarHBondContact N-O 2.84Å; L1311-I1323 WeakPolarHBondContact O-CB 3.45Å; L1311-I1323 PolarHBondContact O-N 2.78Å; I1313-I1323 HydrophobicContact CD1-CD1 3.93Å; I1313-I1323 HydrophobicContact CG1-CD1 4.48Å; I1321-I1323 HydrophobicContact CG2-CD1 4.3Å; I1321-I1323 HydrophobicContact CG2-CG1 4.03Å; I1323-A1325 HydrophobicContact CG2-CB 4.29Å; I1323-L1364 HydrophobicContact CG1-CB 4.17Å |
| 1324 | N | 95.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 90.8 | 164.2 | 177.9 | 23.9 | 0 | 0 | 0 | 109.7 | T1326 E1328 T1330 I1332 G1359 P1360 H1362 G1363 | N1324-T1326 PolarHBondContact O-N 3Å; N1324-T1326 WeakPolarHBondContact OD1-CB 3.36Å; N1324-T1326 PolarHBondContact OD1-N 2.76Å; N1324-T1326 VanDerWaalsContact OD1-N 3.13Å; N1324-T1326 PolarHBondContact OD1-OG1 3.33Å; N1324-E1328 PolarHBondContact ND2-O 2.84Å; N1324-T1330 VanDerWaalsContact CG-OG1 3.26Å; N1324-T1330 PolarHBondContact ND2-OG1 3.36Å; N1324-T1330 VanDerWaalsContact ND2-OG1 3.07Å; N1324-T1330 PolarHBondContact OD1-OG1 3.03Å; N1324-I1332 HydrophobicContact CB-CD1 4.24Å; N1324-G1359 PolarHBondContact ND2-O 2.95Å; N1324-G1359 VanDerWaalsContact ND2-O 3.08Å; N1324-P1360 PolarHBondContact ND2-O 3.05Å; N1324-H1362 CarbonylContact O-C 3.49Å; N1324-H1362 VanDerWaalsContact O-CA 3.27Å; N1324-H1362 WeakPolarHBondContact O-CA 3.31Å; N1324-H1362 PolarHBondContact O-N 3.34Å; N1324-G1363 CarbonylContact C-O 3.45Å; N1324-G1363 PolarHBondContact N-O 3.38Å; N1324-G1363 PolarHBondContact O-N 2.9Å; N1324-G1363 VanDerWaalsContact O-N 3.08Å |
| 1325 | A | 94.2 | Very high | 94 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 2% | 0.017 | 20% | 0.198 | C | C | . | . | trans | -88.6 | 17.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F1115 W1116 K1309 I1323 | F1115-A1325 HydrophobicContact CD1-CB 4.22Å; F1115-A1325 HydrophobicContact CE1-CB 3.45Å; F1115-A1325 VanDerWaalsContact CE1-CB 3.45Å; F1115-A1325 HydrophobicContact CZ-CB 3.75Å; W1116-A1325 HydrophobicContact CD2-CB 4.5Å; W1116-A1325 HydrophobicContact CE3-CB 3.83Å; W1116-A1325 HydrophobicContact CH2-CB 4.08Å; W1116-A1325 HydrophobicContact CZ3-CB 3.61Å; K1309-A1325 HydrophobicContact CB-CB 3.89Å; K1309-A1325 PolarHBondContact O-N 3.06Å; I1323-A1325 HydrophobicContact CG2-CB 4.29Å | ||
| 1326 | T | 92.7 | Very high | 93.7 | Very high | 29 Ų | 29 | 43.7 Ų | 43.7 | 18% | 0.178 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -87.3 | 161.6 | 173 | 74.9 | 0 | 0 | 0 | 0 | 111.4 | K1309 Q1310 N1324 E1328 A1361 H1362 | K1309-T1326 HydrophobicContact CB-CG2 4.42Å; Q1310-T1326 HydrophobicContact CG-CG2 3.96Å; N1324-T1326 PolarHBondContact O-N 3Å; N1324-T1326 WeakPolarHBondContact OD1-CB 3.36Å; N1324-T1326 PolarHBondContact OD1-N 2.76Å; N1324-T1326 VanDerWaalsContact OD1-N 3.13Å; N1324-T1326 PolarHBondContact OD1-OG1 3.33Å; T1326-E1328 PolarHBondContact O-N 3.16Å; T1326-E1328 PolarHBondContact OG1-O 3.29Å; T1326-A1361 WeakPolarHBondContact O-CA 3.25Å; T1326-H1362 PolarHBondContact O-N 2.94Å |
| 1327 | L | 87.7 | Confident | 93.3 | Very high | 127 Ų | 127 | 45.4 Ų | 45.4 | 67% | 0.665 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -79.6 | 2.1 | 178.3 | -61.2 | 175 | 0 | 0 | 0 | 113.6 | A1361 | L1327-A1361 VanDerWaalsContact C-CB 3.45Å; L1327-A1361 WeakPolarHBondContact O-CB 3.37Å |
| 1328 | E | 91.2 | Very high | 93.1 | Very high | 145 Ų | 145 | 48 Ų | 48 | 68% | 0.678 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -122.3 | 148 | -178.5 | -62.8 | -166.2 | -173.6 | 0 | 0 | 111.3 | N1324 T1326 T1330 | N1324-E1328 PolarHBondContact ND2-O 2.84Å; T1326-E1328 PolarHBondContact O-N 3.16Å; T1326-E1328 PolarHBondContact OG1-O 3.29Å; E1328-T1330 PolarHBondContact O-N 3.37Å |
| 1329 | V | 91.7 | Very high | 92.8 | Very high | 89 Ų | 89 | 42.2 Ų | 42.2 | 54% | 0.539 | 25% | 0.245 | S | C | . | . | trans | -64.6 | 131.1 | 169.7 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | G1359 | V1329-G1359 WeakPolarHBondContact CA-O 3.43Š| ||
| 1330 | T | 92.2 | Very high | 92.4 | Very high | 24 Ų | 24 | 45 Ų | 45 | 15% | 0.147 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 146.3 | -178.6 | 28.8 | 0 | 0 | 0 | 0 | 113.8 | Q1310 N1324 E1328 G1359 | Q1310-T1330 PolarHBondContact NE2-OG1 2.99Å; N1324-T1330 VanDerWaalsContact CG-OG1 3.26Å; N1324-T1330 PolarHBondContact ND2-OG1 3.36Å; N1324-T1330 VanDerWaalsContact ND2-OG1 3.07Å; N1324-T1330 PolarHBondContact OD1-OG1 3.03Å; E1328-T1330 PolarHBondContact O-N 3.37Å; T1330-G1359 PolarHBondContact N-O 3.02Å; T1330-G1359 PolarHBondContact O-N 3.38Å |
| 1331 | E | 93.3 | Very high | 92.1 | Very high | 101 Ų | 101 | 45.5 Ų | 45.5 | 47% | 0.472 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 125.5 | 170.4 | -76.2 | -172.6 | 151.2 | 0 | 0 | 111.5 | R1294 V1356 Q1358 | R1294-E1331 PolarHBondContact NE-O 3.37Å; R1294-E1331 PolarHBondContact NH2-O 2.95Å; R1294-E1331 VanDerWaalsContact NH2-O 3.08Å; E1331-V1356 HydrophobicContact CB-CG1 3.78Å; E1331-V1356 HydrophobicContact CG-CG1 3.82Å; E1331-Q1358 HydrophobicContact CG-CG 4.45Å; E1331-Q1358 PolarHBondContact OE1-NE2 3.32Å |
| 1332 | I | 94 | Very high | 91.8 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 119.1 | 172.9 | -62.6 | -174.2 | 0 | 0 | 0 | 108.2 | R1294 Q1312 N1324 V1356 W1357 | R1294-I1332 HydrophobicContact CB-CG1 4.37Å; Q1312-I1332 VanDerWaalsContact CD-CG2 3.49Å; Q1312-I1332 HydrophobicContact CG-CG2 3.79Å; N1324-I1332 HydrophobicContact CB-CD1 4.24Å; I1332-V1356 CarbonylContact O-C 3.5Å; I1332-V1356 WeakPolarHBondContact O-CA 3.32Å; I1332-W1357 HydrophobicContact CB-CE3 4.21Å; I1332-W1357 HydrophobicContact CD1-CE3 3.97Å; I1332-W1357 HydrophobicContact CD1-CZ3 3.87Å; I1332-W1357 HydrophobicContact CG1-CE3 4.42Å; I1332-W1357 PolarHBondContact N-O 2.89Å; I1332-W1357 PolarHBondContact O-N 3.17Å |
| 1333 | V | 94.7 | Very high | 91.3 | Very high | 54 Ų | 54 | 48.3 Ų | 48.3 | 33% | 0.327 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 125.8 | 176.4 | -176.3 | 0 | 0 | 0 | 0 | 108.6 | R1294 A1296 Q1312 A1355 V1356 | R1294-V1333 PolarHBondContact O-N 3.07Å; A1296-V1333 WeakPolarHBondContact CB-O 3.33Å; Q1312-V1333 PolarHBondContact NE2-O 3.13Å; Q1312-V1333 PolarHBondContact OE1-O 2.96Å; V1333-A1355 WeakPolarHBondContact CA-O 3.4Å; V1333-V1356 HydrophobicContact CG2-CG2 4.31Å |
| 1334 | L | 93.7 | Very high | 91 | Very high | 11 Ų | 11 | 50 Ų | 50 | 6% | 0.058 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -82.3 | 153.5 | 179.1 | -55 | -177.1 | 0 | 0 | 0 | 110.8 | L1320 W1339 A1355 W1357 F1367 | L1320-L1334 HydrophobicContact CD2-CB 4.41Å; L1320-L1334 HydrophobicContact CD2-CD2 3.84Å; L1334-W1339 HydrophobicContact CD1-CB 4.09Å; L1334-W1339 HydrophobicContact CD1-CG 4.4Å; L1334-A1355 PolarHBondContact N-O 3.35Å; L1334-W1357 HydrophobicContact CD2-CB 4.21Å; L1334-F1367 HydrophobicContact CD1-CD1 4.1Å; L1334-F1367 HydrophobicContact CD1-CE1 4Å; L1334-F1367 HydrophobicContact CD1-CE2 4.5Å; L1334-F1367 HydrophobicContact CD1-CG 4.41Å; L1334-F1367 HydrophobicContact CD1-CZ 4.22Å; L1334-F1367 HydrophobicContact CD2-CD2 4.45Å; L1334-F1367 HydrophobicContact CD2-CE2 4.2Å |
| 1335 | P | 92.8 | Very high | 90.7 | Very high | 13 Ų | 13 | 52.4 Ų | 52.4 | 8% | 0.084 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 153.3 | 175.8 | -18.8 | 31 | 0 | 0 | 0 | 111.8 | L1292 A1296 L1320 G1337 W1339 | L1292-P1335 HydrophobicContact CD1-CG 3.68Å; A1296-P1335 HydrophobicContact CB-CB 4.29Å; A1296-P1335 HydrophobicContact CB-CG 4.09Å; L1320-P1335 HydrophobicContact CD1-CG 4.1Å; L1320-P1335 HydrophobicContact CD2-CG 4.08Å; P1335-G1337 PolarHBondContact O-N 2.89Å; P1335-G1337 VanDerWaalsContact O-N 3.14Å; P1335-W1339 HydrophobicContact CB-CZ2 4.34Å; P1335-W1339 HydrophobicContact CG-CZ2 4.39Å; P1335-W1339 PolarHBondContact O-NE1 3.01Å |
| 1336 | A | 89.5 | Confident | 90 | Very high | 101 Ų | 101 | 53.4 Ų | 53.4 | 84% | 0.835 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -54.8 | 122.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1337 | G | 87.4 | Confident | 88.5 | Confident | 49 Ų | 49 | 54.5 Ų | 54.5 | 51% | 0.505 | 33% | 0.328 | S | S | . | . | S | Bend | trans | 155.6 | 168.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | P1335 | P1335-G1337 PolarHBondContact O-N 2.89Å; P1335-G1337 VanDerWaalsContact O-N 3.14Å |
| 1338 | E | 88.7 | Confident | 86.9 | Confident | 116 Ų | 116 | 57 Ų | 57 | 54% | 0.542 | 34% | 0.336 | S | S | . | . | trans | -87 | 126 | 166.1 | -158.2 | 170.8 | -167.5 | 0 | 0 | 107 | R1369 | E1338-R1369 WeakPolarHBondContact O-CA 3.31Š| ||
| 1339 | W | 89.6 | Confident | 84.9 | Confident | 13 Ų | 13 | 57.4 Ų | 57.4 | 5% | 0.049 | 34% | 0.343 | C | S | . | . | trans | -130 | 132.6 | -174.4 | -69.3 | 99 | 0 | 0 | 0 | 109.5 | L1314 L1320 L1334 P1335 V1352 F1367 R1369 | L1314-W1339 HydrophobicContact CD1-CH2 3.43Å; L1314-W1339 VanDerWaalsContact CD1-CH2 3.43Å; L1314-W1339 HydrophobicContact CD1-CZ2 4.28Å; L1314-W1339 HydrophobicContact CD1-CZ3 4.15Å; L1320-W1339 HydrophobicContact CB-CE3 3.89Å; L1320-W1339 HydrophobicContact CB-CH2 3.94Å; L1320-W1339 HydrophobicContact CB-CZ3 3.5Å; L1320-W1339 HydrophobicContact CD2-CD2 4.31Å; L1320-W1339 HydrophobicContact CD2-CE3 4.37Å; L1334-W1339 HydrophobicContact CD1-CB 4.09Å; L1334-W1339 HydrophobicContact CD1-CG 4.4Å; P1335-W1339 HydrophobicContact CB-CZ2 4.34Å; P1335-W1339 HydrophobicContact CG-CZ2 4.39Å; P1335-W1339 PolarHBondContact O-NE1 3.01Å; W1339-V1352 VanDerWaalsContact O-O 3.08Å; W1339-F1367 HydrophobicContact CB-CB 4.2Å; W1339-F1367 HydrophobicContact CB-CD1 4.36Å; W1339-F1367 HydrophobicContact CE3-CB 3.87Å; W1339-R1369 HydrophobicContact CD2-CB 4.4Å; W1339-R1369 HydrophobicContact CE3-CB 3.92Å; W1339-R1369 HydrophobicContact CH2-CB 3.76Å; W1339-R1369 HydrophobicContact CH2-CG 4.19Å; W1339-R1369 HydrophobicContact CZ2-CB 4.3Å; W1339-R1369 HydrophobicContact CZ2-CG 4.26Å; W1339-R1369 HydrophobicContact CZ3-CB 3.58Å; W1339-R1369 HydrophobicContact CZ3-CG 4.38Å | ||
| 1340 | H | 88.4 | Confident | 83 | Confident | 66 Ų | 66 | 58.5 Ų | 58.5 | 31% | 0.306 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 123 | 179.5 | -61.6 | -90.4 | 0 | 0 | 0 | 109.3 | I1342 F1367 Q1368 | H1340-I1342 PolarHBondContact O-N 2.71Å; H1340-F1367 CarbonylContact O-C 3.6Å; H1340-F1367 WeakPolarHBondContact O-CA 3.43Å; H1340-Q1368 PolarHBondContact N-O 2.73Å; H1340-Q1368 PolarHBondContact O-N 3.03Å |
| 1341 | A | 89.5 | Confident | 80.9 | Confident | 12 Ų | 12 | 61.3 Ų | 61.3 | 10% | 0.099 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 132.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | A1346 F1367 | A1341-A1346 HydrophobicContact CB-CB 3.53Å; A1341-F1367 HydrophobicContact CB-CD1 3.94Å; A1341-F1367 HydrophobicContact CB-CE1 3.82Å |
| 1342 | I | 90.2 | Very high | 78.9 | Confident | 13 Ų | 13 | 58.7 Ų | 58.7 | 7% | 0.067 | 36% | 0.355 | C | S | . | . | trans | -114.6 | 158.8 | -173.9 | 54.4 | 170.1 | 0 | 0 | 0 | 111.9 | L1269 F1319 H1340 F1345 A1346 V1366 Q1368 | L1269-I1342 HydrophobicContact CD1-CD1 3.42Å; L1269-I1342 VanDerWaalsContact CD1-CD1 3.42Å; L1269-I1342 HydrophobicContact CD2-CD1 3.95Å; L1269-I1342 HydrophobicContact CG-CD1 4.34Å; F1319-I1342 HydrophobicContact CD1-CD1 4.35Å; H1340-I1342 PolarHBondContact O-N 2.71Å; I1342-F1345 PolarHBondContact O-N 3.4Å; I1342-A1346 PolarHBondContact O-N 3.47Å; I1342-V1366 HydrophobicContact CD1-CG1 4.01Å; I1342-V1366 HydrophobicContact CG1-CB 4.32Å; I1342-V1366 HydrophobicContact CG1-CG1 4.21Å; I1342-V1366 WeakPolarHBondContact CG1-O 3.45Å; I1342-V1366 PolarHBondContact N-O 3.32Å; I1342-Q1368 HydrophobicContact CD1-CB 4.27Å; I1342-Q1368 HydrophobicContact CG2-CB 3.67Å | ||
| 1343 | P | 84.6 | Confident | 77 | Confident | 49 Ų | 49 | 65 Ų | 65 | 32% | 0.318 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 142.5 | 172 | -26.7 | 34.5 | 0 | 0 | 0 | 112.2 | A1346 E1348 | P1343-A1346 WeakPolarHBondContact CA-O 3.46Å; P1343-E1348 HydrophobicContact CG-CG 3.79Å |
| 1344 | P | 90.3 | Very high | 75.3 | Confident | 37 Ų | 37 | 65.8 Ų | 65.8 | 24% | 0.24 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -88.4 | 8.2 | 5 | 35.2 | -36.6 | 0 | 0 | 0 | 115.6 | F1262 A1265 L1266 | F1262-P1344 HydrophobicContact CD2-CB 3.55Å; F1262-P1344 HydrophobicContact CD2-CG 3.46Å; F1262-P1344 VanDerWaalsContact CD2-CG 3.46Å; F1262-P1344 HydrophobicContact CE2-CB 3.95Å; F1262-P1344 HydrophobicContact CE2-CG 3.46Å; F1262-P1344 VanDerWaalsContact CE2-CG 3.46Å; F1262-P1344 HydrophobicContact CG-CB 4.33Å; F1262-P1344 HydrophobicContact CG-CG 4.15Å; F1262-P1344 HydrophobicContact CZ-CG 4.17Å; A1265-P1344 HydrophobicContact CB-CB 3.78Å; A1265-P1344 HydrophobicContact CB-CG 3.93Å; L1266-P1344 HydrophobicContact CD2-CG 4.27Å; L1266-P1344 HydrophobicContact CG-CG 4.25Å |
| 1345 | F | 88.7 | Confident | 74.7 | Confident | 49 Ų | 49 | 68.8 Ų | 68.8 | 22% | 0.215 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -26.8 | -172.9 | -53.7 | -79.1 | 0 | 0 | 0 | 113.9 | T1213 F1262 L1266 L1269 I1342 L1364 C1365 V1366 | T1213-F1345 HydrophobicContact CG2-CZ 3.92Å; F1262-F1345 HydrophobicContact CE2-CE1 4.16Å; F1262-F1345 HydrophobicContact CZ-CE1 4.04Å; F1262-F1345 HydrophobicContact CZ-CZ 4.4Å; L1266-F1345 HydrophobicContact CD2-CE2 4.07Å; L1266-F1345 HydrophobicContact CD2-CZ 3.76Å; L1269-F1345 HydrophobicContact CD2-CE2 4.48Å; I1342-F1345 PolarHBondContact O-N 3.4Å; F1345-L1364 HydrophobicContact CD1-CD1 4.2Å; F1345-L1364 HydrophobicContact CE1-CD1 3.34Å; F1345-L1364 HydrophobicContact CE1-CG 4.4Å; F1345-L1364 HydrophobicContact CZ-CD1 3.66Å; F1345-C1365 HydrophobicContact CB-CB 4.44Å; F1345-V1366 HydrophobicContact CD2-CB 3.71Å; F1345-V1366 HydrophobicContact CD2-CG2 3.85Å; F1345-V1366 HydrophobicContact CE2-CB 3.59Å; F1345-V1366 HydrophobicContact CE2-CG2 3.24Å; F1345-V1366 HydrophobicContact CZ-CG2 3.74Å |
| 1346 | A | 79.3 | Confident | 74.4 | Confident | 24 Ų | 24 | 70.5 Ų | 70.5 | 20% | 0.198 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -140.1 | 155.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | A1341 I1342 P1343 | A1341-A1346 HydrophobicContact CB-CB 3.53Å; I1342-A1346 PolarHBondContact O-N 3.47Å; P1343-A1346 WeakPolarHBondContact CA-O 3.46Å |
| 1347 | G | 60.3 | Low | 74.4 | Confident | 52 Ų | 52 | 67.3 Ų | 67.3 | 54% | 0.536 | 40% | 0.395 | S | S | . | . | trans | -68.1 | 151.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D1349 N1350 | G1347-D1349 PolarHBondContact O-N 2.72Å; G1347-N1350 PolarHBondContact O-N 2.95Å | ||
| 1348 | E | 53.9 | Low | 74.5 | Confident | 178 Ų | 178 | 69.9 Ų | 69.9 | 83% | 0.832 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -20.1 | -176.3 | -69.3 | -174.6 | 157.7 | 0 | 0 | 114.2 | P1343 | P1343-E1348 HydrophobicContact CG-CG 3.79Š|
| 1349 | D | 50 | Low | 74.4 | Confident | 154 Ų | 154 | 64.4 Ų | 64.4 | 82% | 0.824 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | 16.2 | -172.5 | -68.4 | -40 | 0 | 0 | 0 | 115.7 | G1347 P1351 | G1347-D1349 PolarHBondContact O-N 2.72Å; D1349-P1351 WeakPolarHBondContact O-CD 3.45Å |
| 1350 | N | 51.3 | Low | 74.3 | Confident | 112 Ų | 112 | 66.8 Ų | 66.8 | 60% | 0.599 | 39% | 0.386 | S | S | * | . | trans | -111.8 | 87.9 | -175.9 | -125 | -11.5 | 0 | 0 | 0 | 113.2 | G1347 V1352 | G1347-N1350 PolarHBondContact O-N 2.95Å; N1350-V1352 PolarHBondContact O-N 3.29Å | ||
| 1351 | P | 48.2 | Very low | 74.3 | Confident | 83 Ų | 83 | 65.1 Ų | 65.1 | 54% | 0.539 | 38% | 0.384 | S | S | . | . | trans | -72 | 100 | 175.8 | 28.9 | -32 | 0 | 0 | 0 | 109.9 | D1349 I1353 | D1349-P1351 WeakPolarHBondContact O-CD 3.45Å; P1351-I1353 VanDerWaalsContact C-N 3.35Å; P1351-I1353 PolarHBondContact O-N 3.05Å; P1351-I1353 VanDerWaalsContact O-N 3.13Å | ||
| 1352 | V | 52 | Low | 74.2 | Confident | 47 Ų | 47 | 65.5 Ų | 65.5 | 29% | 0.285 | 38% | 0.383 | S | S | . | . | trans | -83.6 | 83.9 | 171.2 | -178.1 | 0 | 0 | 0 | 0 | 108 | W1339 N1350 T1354 | W1339-V1352 VanDerWaalsContact O-O 3.08Å; N1350-V1352 PolarHBondContact O-N 3.29Å; V1352-T1354 HydrophobicContact CG1-CG2 4.27Å; V1352-T1354 WeakPolarHBondContact CG1-OG1 3.32Å; V1352-T1354 PolarHBondContact O-N 3.13Å | ||
| 1353 | I | 53.8 | Low | 74.2 | Confident | 131 Ų | 131 | 65.4 Ų | 65.4 | 67% | 0.672 | 39% | 0.386 | S | S | * | . | trans | -78 | 60.8 | 169.9 | -46.8 | 173.9 | 0 | 0 | 0 | 108.2 | P1351 | P1351-I1353 VanDerWaalsContact C-N 3.35Å; P1351-I1353 PolarHBondContact O-N 3.05Å; P1351-I1353 VanDerWaalsContact O-N 3.13Å | ||
| 1354 | T | 59.1 | Low | 74.6 | Confident | 72 Ų | 72 | 64.1 Ų | 64.1 | 44% | 0.442 | 38% | 0.376 | S | S | . | . | trans | -123.8 | 126.2 | 175.1 | 60.9 | 0 | 0 | 0 | 0 | 110.5 | V1352 V1356 | V1352-T1354 HydrophobicContact CG1-CG2 4.27Å; V1352-T1354 WeakPolarHBondContact CG1-OG1 3.32Å; V1352-T1354 PolarHBondContact O-N 3.13Å; T1354-V1356 WeakPolarHBondContact CB-O 3.42Å; T1354-V1356 PolarHBondContact O-N 2.88Å; T1354-V1356 PolarHBondContact OG1-O 2.95Å | ||
| 1355 | A | 81.2 | Confident | 74.8 | Confident | 74 Ų | 74 | 62.8 Ų | 62.8 | 61% | 0.612 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -65.3 | -4.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1333 L1334 | V1333-A1355 WeakPolarHBondContact CA-O 3.4Å; L1334-A1355 PolarHBondContact N-O 3.35Å |
| 1356 | V | 86.9 | Confident | 75.1 | Confident | 49 Ų | 49 | 60.4 Ų | 60.4 | 30% | 0.297 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 131.2 | -178.7 | -174.7 | 0 | 0 | 0 | 0 | 108.9 | E1331 I1332 V1333 T1354 | E1331-V1356 HydrophobicContact CB-CG1 3.78Å; E1331-V1356 HydrophobicContact CG-CG1 3.82Å; I1332-V1356 CarbonylContact O-C 3.5Å; I1332-V1356 WeakPolarHBondContact O-CA 3.32Å; V1333-V1356 HydrophobicContact CG2-CG2 4.31Å; T1354-V1356 WeakPolarHBondContact CB-O 3.42Å; T1354-V1356 PolarHBondContact O-N 2.88Å; T1354-V1356 PolarHBondContact OG1-O 2.95Å |
| 1357 | W | 89 | Confident | 75.8 | Confident | 33 Ų | 33 | 59.4 Ų | 59.4 | 13% | 0.125 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 130.1 | 169 | 176.5 | 59.8 | 0 | 0 | 0 | 109.5 | A1322 I1332 L1334 G1359 P1360 C1365 F1367 | A1322-W1357 HydrophobicContact CB-CD2 4.49Å; A1322-W1357 HydrophobicContact CB-CE3 3.63Å; A1322-W1357 HydrophobicContact CB-CZ3 3.72Å; I1332-W1357 HydrophobicContact CB-CE3 4.21Å; I1332-W1357 HydrophobicContact CD1-CE3 3.97Å; I1332-W1357 HydrophobicContact CD1-CZ3 3.87Å; I1332-W1357 HydrophobicContact CG1-CE3 4.42Å; I1332-W1357 PolarHBondContact N-O 2.89Å; I1332-W1357 PolarHBondContact O-N 3.17Å; L1334-W1357 HydrophobicContact CD2-CB 4.21Å; W1357-G1359 VanDerWaalsContact CZ3-CA 3.5Å; W1357-G1359 PolarHBondContact O-N 3.5Å; W1357-P1360 VanDerWaalsContact CZ2-CD 3.48Å; W1357-C1365 HydrophobicContact CD2-CB 4.41Å; W1357-C1365 HydrophobicContact CH2-CB 4.07Å; W1357-C1365 HydrophobicContact CZ2-CB 3.44Å; W1357-C1365 VanDerWaalsContact CZ2-CB 3.44Å; W1357-F1367 HydrophobicContact CB-CZ 3.94Å; W1357-F1367 AromaticContact CD1-CZ 3.66Å; W1357-F1367 HydrophobicContact CD2-CE2 4.37Å; W1357-F1367 HydrophobicContact CD2-CZ 4.17Å; W1357-F1367 HydrophobicContact CG-CE2 4.25Å; W1357-F1367 AromaticContact CG-CZ 3.66Å; W1357-F1367 HydrophobicContact CG-CZ 3.66Å |
| 1358 | Q | 90 | Very high | 77.3 | Confident | 104 Ų | 104 | 59.6 Ų | 59.6 | 49% | 0.486 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 90.2 | 169.8 | -79.9 | -79.5 | -12.8 | 0 | 0 | 107.9 | E1331 P1360 | E1331-Q1358 HydrophobicContact CG-CG 4.45Å; E1331-Q1358 PolarHBondContact OE1-NE2 3.32Å; Q1358-P1360 VanDerWaalsContact O-CD 3.32Å; Q1358-P1360 WeakPolarHBondContact O-CD 3.37Å |
| 1359 | G | 85.1 | Confident | 79 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 114.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | N1324 V1329 T1330 W1357 | N1324-G1359 PolarHBondContact ND2-O 2.95Å; N1324-G1359 VanDerWaalsContact ND2-O 3.08Å; V1329-G1359 WeakPolarHBondContact CA-O 3.43Å; T1330-G1359 PolarHBondContact N-O 3.02Å; T1330-G1359 PolarHBondContact O-N 3.38Å; W1357-G1359 VanDerWaalsContact CZ3-CA 3.5Å; W1357-G1359 PolarHBondContact O-N 3.5Å |
| 1360 | P | 89.3 | Confident | 80.4 | Confident | 64 Ų | 64 | 54 Ų | 54 | 42% | 0.416 | 30% | 0.299 | S | S | . | . | trans | -60.1 | 154 | 174.7 | 18.6 | -20.1 | 0 | 0 | 0 | 110.1 | N1324 W1357 Q1358 H1362 G1363 | N1324-P1360 PolarHBondContact ND2-O 3.05Å; W1357-P1360 VanDerWaalsContact CZ2-CD 3.48Å; Q1358-P1360 VanDerWaalsContact O-CD 3.32Å; Q1358-P1360 WeakPolarHBondContact O-CD 3.37Å; P1360-H1362 PolarHBondContact O-N 2.8Å; P1360-G1363 WeakPolarHBondContact O-CA 3.43Å; P1360-G1363 PolarHBondContact O-N 3.5Å | ||
| 1361 | A | 86.7 | Confident | 82 | Confident | 31 Ų | 31 | 50.9 Ų | 50.9 | 26% | 0.256 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | 136.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | T1326 L1327 G1363 | T1326-A1361 WeakPolarHBondContact O-CA 3.25Å; L1327-A1361 VanDerWaalsContact C-CB 3.45Å; L1327-A1361 WeakPolarHBondContact O-CB 3.37Å; A1361-G1363 PolarHBondContact O-N 3.04Å; A1361-G1363 VanDerWaalsContact O-N 3.13Å |
| 1362 | H | 88.3 | Confident | 83.9 | Confident | 20 Ų | 20 | 49.1 Ų | 49.1 | 9% | 0.093 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 13.8 | -173.6 | -100.6 | 87.3 | 0 | 0 | 0 | 116.8 | W1116 Y1119 D1206 N1324 T1326 P1360 | W1116-H1362 AromaticContact CE3-CD2 3.79Å; W1116-H1362 PolarHBondContact O-NE2 3.25Å; Y1119-H1362 AromaticContact CE1-CE1 3.05Å; Y1119-H1362 WeakPolarHBondContact CE1-CE1 3.06Å; Y1119-H1362 AromaticContact CE1-NE2 3.28Å; Y1119-H1362 VanDerWaalsContact CE1-NE2 3.28Å; Y1119-H1362 WeakPolarHBondContact CE1-NE2 3.24Å; Y1119-H1362 AromaticContact CZ-CE1 3.27Å; Y1119-H1362 AromaticContact CZ-NE2 3.59Å; Y1119-H1362 PolarHBondContact OH-CE1 3.21Å; Y1119-H1362 PolarHBondContact OH-NE2 2.68Å; Y1119-H1362 VanDerWaalsContact OH-NE2 3.08Å; D1206-H1362 HydrophobicContact CB-CB 4.44Å; N1324-H1362 CarbonylContact O-C 3.49Å; N1324-H1362 VanDerWaalsContact O-CA 3.27Å; N1324-H1362 WeakPolarHBondContact O-CA 3.31Å; N1324-H1362 PolarHBondContact O-N 3.34Å; T1326-H1362 PolarHBondContact O-N 2.94Å; P1360-H1362 PolarHBondContact O-N 2.8Å |
| 1363 | G | 89.8 | Confident | 85.7 | Confident | 11 Ų | 11 | 49.2 Ų | 49.2 | 11% | 0.113 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 153.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | N1324 P1360 A1361 | N1324-G1363 CarbonylContact C-O 3.45Å; N1324-G1363 PolarHBondContact N-O 3.38Å; N1324-G1363 PolarHBondContact O-N 2.9Å; N1324-G1363 VanDerWaalsContact O-N 3.08Å; P1360-G1363 WeakPolarHBondContact O-CA 3.43Å; P1360-G1363 PolarHBondContact O-N 3.5Å; A1361-G1363 PolarHBondContact O-N 3.04Å; A1361-G1363 VanDerWaalsContact O-N 3.13Å |
| 1364 | L | 94.4 | Very high | 87.7 | Confident | 22 Ų | 22 | 44.1 Ų | 44.1 | 12% | 0.115 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 157.4 | 158.3 | 69.9 | 89.7 | 0 | 0 | 0 | 110.3 | W1116 A1210 T1213 A1322 I1323 F1345 | W1116-L1364 HydrophobicContact CH2-CB 4.4Å; W1116-L1364 HydrophobicContact CH2-CD2 3.99Å; W1116-L1364 HydrophobicContact CZ2-CD2 3.77Å; A1210-L1364 HydrophobicContact CB-CD2 4.15Å; T1213-L1364 HydrophobicContact CG2-CD1 3.41Å; T1213-L1364 VanDerWaalsContact CG2-CD1 3.41Å; T1213-L1364 HydrophobicContact CG2-CD2 4.06Å; T1213-L1364 HydrophobicContact CG2-CG 4.41Å; A1322-L1364 CarbonylContact O-C 3.34Å; A1322-L1364 WeakPolarHBondContact O-CA 3.42Å; A1322-L1364 VanDerWaalsContact O-CB 3.31Å; A1322-L1364 WeakPolarHBondContact O-CB 3.46Å; I1323-L1364 HydrophobicContact CG1-CB 4.17Å; F1345-L1364 HydrophobicContact CD1-CD1 4.2Å; F1345-L1364 HydrophobicContact CE1-CD1 3.34Å; F1345-L1364 HydrophobicContact CE1-CG 4.4Å; F1345-L1364 HydrophobicContact CZ-CD1 3.66Å |
| 1365 | C | 93.5 | Very high | 89.6 | Confident | 8 Ų | 8 | 42.3 Ų | 42.3 | 5% | 0.054 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 146.7 | 175.3 | -173.8 | 0 | 0 | 0 | 0 | 109.8 | A1322 F1345 W1357 F1367 | A1322-C1365 PolarHBondContact N-O 3.04Å; A1322-C1365 PolarHBondContact O-N 2.73Å; F1345-C1365 HydrophobicContact CB-CB 4.44Å; W1357-C1365 HydrophobicContact CD2-CB 4.41Å; W1357-C1365 HydrophobicContact CH2-CB 4.07Å; W1357-C1365 HydrophobicContact CZ2-CB 3.44Å; W1357-C1365 VanDerWaalsContact CZ2-CB 3.44Å; C1365-F1367 HydrophobicContact CB-CE2 3.77Å; C1365-F1367 HydrophobicContact CB-CZ 4.04Å |
| 1366 | V | 94.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 131.9 | 173.2 | -173.8 | 0 | 0 | 0 | 0 | 109.8 | L1217 L1269 L1320 I1321 I1342 F1345 | L1217-V1366 HydrophobicContact CD1-CG2 3.74Å; L1269-V1366 HydrophobicContact CD2-CB 4.32Å; L1269-V1366 HydrophobicContact CD2-CG1 4.11Å; L1269-V1366 HydrophobicContact CD2-CG2 4.46Å; L1320-V1366 CarbonylContact O-C 3.56Å; L1320-V1366 WeakPolarHBondContact O-CA 3.36Å; I1321-V1366 HydrophobicContact CG1-CG2 4.14Å; I1321-V1366 HydrophobicContact CG2-CG2 4.29Å; I1342-V1366 HydrophobicContact CD1-CG1 4.01Å; I1342-V1366 HydrophobicContact CG1-CB 4.32Å; I1342-V1366 HydrophobicContact CG1-CG1 4.21Å; I1342-V1366 WeakPolarHBondContact CG1-O 3.45Å; I1342-V1366 PolarHBondContact N-O 3.32Å; F1345-V1366 HydrophobicContact CD2-CB 3.71Å; F1345-V1366 HydrophobicContact CD2-CG2 3.85Å; F1345-V1366 HydrophobicContact CE2-CB 3.59Å; F1345-V1366 HydrophobicContact CE2-CG2 3.24Å; F1345-V1366 HydrophobicContact CZ-CG2 3.74Å |
| 1367 | F | 93.4 | Very high | 90.5 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.009 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 147.7 | 177.1 | -56.7 | -97.1 | 0 | 0 | 0 | 110.7 | F1319 L1320 A1322 L1334 W1339 H1340 A1341 W1357 C1365 | F1319-F1367 CarbonylContact C-O 3.58Å; F1319-F1367 WeakPolarHBondContact CA-O 3.4Å; L1320-F1367 HydrophobicContact CB-CB 4.32Å; L1320-F1367 PolarHBondContact N-O 2.87Å; L1320-F1367 PolarHBondContact O-N 3.18Å; A1322-F1367 HydrophobicContact CB-CD2 4.48Å; A1322-F1367 HydrophobicContact CB-CE2 3.98Å; L1334-F1367 HydrophobicContact CD1-CD1 4.1Å; L1334-F1367 HydrophobicContact CD1-CE1 4Å; L1334-F1367 HydrophobicContact CD1-CE2 4.5Å; L1334-F1367 HydrophobicContact CD1-CG 4.41Å; L1334-F1367 HydrophobicContact CD1-CZ 4.22Å; L1334-F1367 HydrophobicContact CD2-CD2 4.45Å; L1334-F1367 HydrophobicContact CD2-CE2 4.2Å; W1339-F1367 HydrophobicContact CB-CB 4.2Å; W1339-F1367 HydrophobicContact CB-CD1 4.36Å; W1339-F1367 HydrophobicContact CE3-CB 3.87Å; H1340-F1367 CarbonylContact O-C 3.6Å; H1340-F1367 WeakPolarHBondContact O-CA 3.43Å; A1341-F1367 HydrophobicContact CB-CD1 3.94Å; A1341-F1367 HydrophobicContact CB-CE1 3.82Å; W1357-F1367 HydrophobicContact CB-CZ 3.94Å; W1357-F1367 AromaticContact CD1-CZ 3.66Å; W1357-F1367 HydrophobicContact CD2-CE2 4.37Å; W1357-F1367 HydrophobicContact CD2-CZ 4.17Å; W1357-F1367 HydrophobicContact CG-CE2 4.25Å; W1357-F1367 AromaticContact CG-CZ 3.66Å; W1357-F1367 HydrophobicContact CG-CZ 3.66Å; C1365-F1367 HydrophobicContact CB-CE2 3.77Å; C1365-F1367 HydrophobicContact CB-CZ 4.04Å |
| 1368 | Q | 92.2 | Very high | 90.6 | Very high | 57 Ų | 57 | 39.8 Ų | 39.8 | 27% | 0.266 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 138 | 170.4 | -173.2 | 179.8 | -13.5 | 0 | 0 | 109.7 | R1318 F1319 H1340 I1342 | R1318-Q1368 CarbonylContact O-C 3.2Å; R1318-Q1368 WeakPolarHBondContact O-CA 3.32Å; F1319-Q1368 HydrophobicContact CD1-CB 4.33Å; F1319-Q1368 HydrophobicContact CD1-CG 4.17Å; F1319-Q1368 HydrophobicContact CE1-CB 4.38Å; F1319-Q1368 HydrophobicContact CE1-CG 3.89Å; H1340-Q1368 PolarHBondContact N-O 2.73Å; H1340-Q1368 PolarHBondContact O-N 3.03Å; I1342-Q1368 HydrophobicContact CD1-CB 4.27Å; I1342-Q1368 HydrophobicContact CG2-CB 3.67Å |
| 1369 | R | 90 | Very high | 90.7 | Very high | 159 Ų | 159 | 34 Ų | 34 | 60% | 0.6 | 18% | 0.175 | S | C | * | . | trans | -81.9 | 0 | 174.9 | -162.5 | 176.7 | 170.3 | -174.8 | -0.9 | 113 | R1318 E1338 W1339 | R1318-R1369 PolarHBondContact O-N 3.41Å; E1338-R1369 WeakPolarHBondContact O-CA 3.31Å; W1339-R1369 HydrophobicContact CD2-CB 4.4Å; W1339-R1369 HydrophobicContact CE3-CB 3.92Å; W1339-R1369 HydrophobicContact CH2-CB 3.76Å; W1339-R1369 HydrophobicContact CH2-CG 4.19Å; W1339-R1369 HydrophobicContact CZ2-CB 4.3Å; W1339-R1369 HydrophobicContact CZ2-CG 4.26Å; W1339-R1369 HydrophobicContact CZ3-CB 3.58Å; W1339-R1369 HydrophobicContact CZ3-CG 4.38Å |
Retrieved 1,369 of 1,369 residues in 1754.8 ms
(Link to these results)