| 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 | 48 | Very low | 62.9 | Low | 199 Ų | 199 | 105.5 Ų | 105.5 | 98% | 0.98 | 59% | 0.586 | S | S | * | * | 0 | -68.7 | 0 | -61.1 | -160.2 | 83.2 | 0 | 0 | 111.6 | A3 T4 L5 | M1-A3 PolarHBondContact O-N 3.46Å; M1-T4 VanDerWaalsContact CA-OG1 3.24Å; M1-T4 WeakPolarHBondContact CA-OG1 3.32Å; M1-T4 PolarHBondContact N-OG1 3.12Å; M1-T4 CarbonylContact O-C 3.55Å; M1-T4 PolarHBondContact O-N 3.11Å; M1-T4 VanDerWaalsContact O-N 3.07Å; M1-T4 PolarHBondContact O-OG1 3.24Å; M1-L5 PolarHBondContact O-N 3.1Å | |||
| 2 | G | 60.2 | Low | 62.4 | Low | 50 Ų | 50 | 107.8 Ų | 107.8 | 52% | 0.515 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -52 | -52.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | T4 L5 I6 | G2-T4 VanDerWaalsContact C-N 3.33Å; G2-T4 PolarHBondContact O-N 3.25Å; G2-L5 WeakPolarHBondContact O-CB 3.36Å; G2-L5 PolarHBondContact O-N 3.49Å; G2-L5 VanDerWaalsContact O-N 3.17Å; G2-I6 WeakPolarHBondContact O-CG1 3.49Å; G2-I6 PolarHBondContact O-N 3.27Å |
| 3 | A | 59.7 | Low | 61.9 | Low | 75 Ų | 75 | 107 Ų | 107 | 62% | 0.62 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.3 | -35.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | M1 I6 F7 | M1-A3 PolarHBondContact O-N 3.46Å; A3-I6 PolarHBondContact O-N 2.93Å; A3-F7 WeakPolarHBondContact O-CB 3.33Å; A3-F7 PolarHBondContact O-N 3.48Å |
| 4 | T | 64.3 | Low | 61.1 | Low | 91 Ų | 91 | 105.4 Ų | 105.4 | 56% | 0.558 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -74.2 | -29 | 175.7 | 28.7 | 0 | 0 | 0 | 0 | 113 | M1 G2 T8 | M1-T4 VanDerWaalsContact CA-OG1 3.24Å; M1-T4 WeakPolarHBondContact CA-OG1 3.32Å; M1-T4 PolarHBondContact N-OG1 3.12Å; M1-T4 CarbonylContact O-C 3.55Å; M1-T4 PolarHBondContact O-N 3.11Å; M1-T4 VanDerWaalsContact O-N 3.07Å; M1-T4 PolarHBondContact O-OG1 3.24Å; G2-T4 VanDerWaalsContact C-N 3.33Å; G2-T4 PolarHBondContact O-N 3.25Å; T4-T8 WeakPolarHBondContact O-CB 3.3Å; T4-T8 WeakPolarHBondContact O-CG2 3.47Å; T4-T8 PolarHBondContact O-N 3.1Å; T4-T8 PolarHBondContact O-OG1 3.12Å |
| 5 | L | 63.5 | Low | 60.2 | Low | 118 Ų | 118 | 102.4 Ų | 102.4 | 62% | 0.618 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.2 | -44.4 | 170.4 | -162.7 | 76.4 | 0 | 0 | 0 | 110.5 | M1 G2 F7 T8 V9 | M1-L5 PolarHBondContact O-N 3.1Å; G2-L5 WeakPolarHBondContact O-CB 3.36Å; G2-L5 PolarHBondContact O-N 3.49Å; G2-L5 VanDerWaalsContact O-N 3.17Å; L5-F7 PolarHBondContact O-N 2.79Å; L5-T8 WeakPolarHBondContact CA-OG1 3.39Å; L5-T8 PolarHBondContact O-N 2.85Å; L5-T8 PolarHBondContact O-OG1 3.49Å; L5-T8 VanDerWaalsContact O-OG1 3.1Å; L5-V9 WeakPolarHBondContact O-CB 3.47Å; L5-V9 VanDerWaalsContact O-CG2 3.28Å; L5-V9 WeakPolarHBondContact O-CG2 3.5Å; L5-V9 PolarHBondContact O-N 3.43Å |
| 6 | I | 67.6 | Low | 59 | Low | 108 Ų | 108 | 105.6 Ų | 105.6 | 55% | 0.554 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.8 | -43.1 | 175.5 | -65.9 | 166.7 | 0 | 0 | 0 | 110.8 | G2 A3 N10 | G2-I6 WeakPolarHBondContact O-CG1 3.49Å; G2-I6 PolarHBondContact O-N 3.27Å; A3-I6 PolarHBondContact O-N 2.93Å; I6-N10 WeakPolarHBondContact O-CB 3.31Å; I6-N10 PolarHBondContact O-N 3.39Å; I6-N10 PolarHBondContact O-ND2 3.35Å |
| 7 | F | 65.9 | Low | 58.2 | Low | 162 Ų | 162 | 102.9 Ų | 102.9 | 71% | 0.711 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66 | -42.1 | 176.5 | -111.8 | -83.6 | 0 | 0 | 0 | 112.8 | A3 L5 F11 | A3-F7 WeakPolarHBondContact O-CB 3.33Å; A3-F7 PolarHBondContact O-N 3.48Å; L5-F7 PolarHBondContact O-N 2.79Å; F7-F11 WeakPolarHBondContact O-CB 3.36Å; F7-F11 PolarHBondContact O-N 3.05Å |
| 8 | T | 63.6 | Low | 57.4 | Low | 67 Ų | 67 | 102.2 Ų | 102.2 | 41% | 0.411 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.9 | -41.9 | 177.1 | 44.1 | 0 | 0 | 0 | 0 | 111.8 | T4 L5 F11 F12 | T4-T8 WeakPolarHBondContact O-CB 3.3Å; T4-T8 WeakPolarHBondContact O-CG2 3.47Å; T4-T8 PolarHBondContact O-N 3.1Å; T4-T8 PolarHBondContact O-OG1 3.12Å; L5-T8 WeakPolarHBondContact CA-OG1 3.39Å; L5-T8 PolarHBondContact O-N 2.85Å; L5-T8 PolarHBondContact O-OG1 3.49Å; L5-T8 VanDerWaalsContact O-OG1 3.1Å; T8-F11 PolarHBondContact O-N 3.26Å; T8-F12 WeakPolarHBondContact O-CB 3.46Å; T8-F12 WeakPolarHBondContact O-CD2 3.19Å; T8-F12 PolarHBondContact O-N 3.21Å |
| 9 | V | 70.7 | Confident | 56.4 | Low | 73 Ų | 73 | 105.5 Ų | 105.5 | 44% | 0.442 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.1 | -46.6 | 174 | 169.5 | 0 | 0 | 0 | 0 | 111.3 | L5 F11 F12 I13 | L5-V9 WeakPolarHBondContact O-CB 3.47Å; L5-V9 VanDerWaalsContact O-CG2 3.28Å; L5-V9 WeakPolarHBondContact O-CG2 3.5Å; L5-V9 PolarHBondContact O-N 3.43Å; V9-F11 PolarHBondContact O-N 3.48Å; V9-F12 PolarHBondContact O-N 2.99Å; V9-I13 HydrophobicContact CG1-CD1 3.73Å; V9-I13 HydrophobicContact CG1-CG1 4.47Å; V9-I13 WeakPolarHBondContact O-CB 3.33Å; V9-I13 VanDerWaalsContact O-CG1 3.25Å; V9-I13 WeakPolarHBondContact O-CG1 3.12Å; V9-I13 PolarHBondContact O-N 2.8Å |
| 10 | N | 63.4 | Low | 55.5 | Low | 85 Ų | 85 | 104.1 Ų | 104.1 | 46% | 0.455 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.9 | -37.3 | 176.3 | -79.6 | -84.8 | 0 | 0 | 0 | 112.5 | I6 I13 V14 | I6-N10 WeakPolarHBondContact O-CB 3.31Å; I6-N10 PolarHBondContact O-N 3.39Å; I6-N10 PolarHBondContact O-ND2 3.35Å; N10-I13 PolarHBondContact O-N 3.14Å; N10-V14 WeakPolarHBondContact O-CB 3.49Å; N10-V14 WeakPolarHBondContact O-CG2 3.38Å; N10-V14 PolarHBondContact O-N 3.06Å |
| 11 | F | 64.8 | Low | 54.6 | Low | 132 Ų | 132 | 106.4 Ų | 106.4 | 58% | 0.579 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67 | -38.6 | 176.1 | -166.9 | -108 | 0 | 0 | 0 | 111.7 | F7 T8 V9 V14 I15 | F7-F11 WeakPolarHBondContact O-CB 3.36Å; F7-F11 PolarHBondContact O-N 3.05Å; T8-F11 PolarHBondContact O-N 3.26Å; V9-F11 PolarHBondContact O-N 3.48Å; F11-V14 PolarHBondContact O-N 3.3Å; F11-I15 HydrophobicContact CD1-CD1 3.72Å; F11-I15 HydrophobicContact CE1-CD1 3.38Å; F11-I15 HydrophobicContact CE1-CG1 4.41Å; F11-I15 HydrophobicContact CG-CD1 4.5Å; F11-I15 HydrophobicContact CZ-CD1 3.92Å; F11-I15 WeakPolarHBondContact O-CB 3.37Å; F11-I15 WeakPolarHBondContact O-CG1 3.48Å; F11-I15 PolarHBondContact O-N 3.43Å |
| 12 | F | 56.8 | Low | 54.2 | Low | 133 Ų | 133 | 100.7 Ų | 100.7 | 58% | 0.583 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68 | -35.5 | 171.1 | -80.8 | -61 | 0 | 0 | 0 | 112.8 | T8 V9 W16 | T8-F12 WeakPolarHBondContact O-CB 3.46Å; T8-F12 WeakPolarHBondContact O-CD2 3.19Å; T8-F12 PolarHBondContact O-N 3.21Å; V9-F12 PolarHBondContact O-N 2.99Å; F12-W16 WeakPolarHBondContact O-CB 3.47Å; F12-W16 PolarHBondContact O-N 3Å |
| 13 | I | 56 | Low | 53.3 | Low | 98 Ų | 98 | 107.8 Ų | 107.8 | 50% | 0.503 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.9 | -41.2 | 173.4 | -71.3 | 165.1 | 0 | 0 | 0 | 111.1 | V9 N10 W16 A17 | V9-I13 HydrophobicContact CG1-CD1 3.73Å; V9-I13 HydrophobicContact CG1-CG1 4.47Å; V9-I13 WeakPolarHBondContact O-CB 3.33Å; V9-I13 VanDerWaalsContact O-CG1 3.25Å; V9-I13 WeakPolarHBondContact O-CG1 3.12Å; V9-I13 PolarHBondContact O-N 2.8Å; N10-I13 PolarHBondContact O-N 3.14Å; I13-W16 PolarHBondContact O-N 3.02Å; I13-A17 WeakPolarHBondContact O-CB 3.47Å; I13-A17 PolarHBondContact O-N 3.46Å |
| 14 | V | 50.3 | Low | 52.9 | Low | 85 Ų | 85 | 105.9 Ų | 105.9 | 52% | 0.515 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.5 | -38.6 | 176.9 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | N10 F11 A17 T18 | N10-V14 WeakPolarHBondContact O-CB 3.49Å; N10-V14 WeakPolarHBondContact O-CG2 3.38Å; N10-V14 PolarHBondContact O-N 3.06Å; F11-V14 PolarHBondContact O-N 3.3Å; V14-A17 PolarHBondContact O-N 3.25Å; V14-T18 WeakPolarHBondContact O-CB 3.36Å; V14-T18 WeakPolarHBondContact O-CG2 3.36Å; V14-T18 PolarHBondContact O-N 3.02Å; V14-T18 PolarHBondContact O-OG1 3.2Å |
| 15 | I | 48 | Very low | 52.3 | Low | 60 Ų | 60 | 104 Ų | 104 | 31% | 0.308 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 170.6 | -75.3 | 177 | 0 | 0 | 0 | 110.5 | F11 T18 F19 | F11-I15 HydrophobicContact CD1-CD1 3.72Å; F11-I15 HydrophobicContact CE1-CD1 3.38Å; F11-I15 HydrophobicContact CE1-CG1 4.41Å; F11-I15 HydrophobicContact CG-CD1 4.5Å; F11-I15 HydrophobicContact CZ-CD1 3.92Å; F11-I15 WeakPolarHBondContact O-CB 3.37Å; F11-I15 WeakPolarHBondContact O-CG1 3.48Å; F11-I15 PolarHBondContact O-N 3.43Å; I15-T18 WeakPolarHBondContact CA-OG1 3.34Å; I15-T18 PolarHBondContact O-N 3.48Å; I15-T18 PolarHBondContact O-OG1 3.38Å; I15-F19 HydrophobicContact CG2-CD2 3.89Å; I15-F19 HydrophobicContact CG2-CE2 4.25Å; I15-F19 WeakPolarHBondContact O-CB 3.49Å; I15-F19 WeakPolarHBondContact O-CD2 3.15Å; I15-F19 PolarHBondContact O-N 3.29Å |
| 16 | W | 41 | Very low | 52.2 | Low | 154 Ų | 154 | 104.1 Ų | 104.1 | 58% | 0.583 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.8 | -53 | 172.7 | -105.6 | 69.4 | 0 | 0 | 0 | 111.1 | F12 I13 T18 F19 T20 | F12-W16 WeakPolarHBondContact O-CB 3.47Å; F12-W16 PolarHBondContact O-N 3Å; I13-W16 PolarHBondContact O-N 3.02Å; W16-T18 PolarHBondContact O-N 3.24Å; W16-F19 CarbonylContact O-C 3.15Å; W16-F19 PolarHBondContact O-N 3.14Å; W16-F19 VanDerWaalsContact O-N 3.07Å; W16-T20 HydrophobicContact CE3-CG2 3.84Å; W16-T20 HydrophobicContact CZ3-CG2 4.27Å; W16-T20 WeakPolarHBondContact O-CB 3.44Å; W16-T20 WeakPolarHBondContact O-CG2 3.18Å; W16-T20 PolarHBondContact O-N 2.78Å; W16-T20 PolarHBondContact O-OG1 3.45Å |
| 17 | A | 46.1 | Very low | 52.6 | Low | 60 Ų | 60 | 102.9 Ų | 102.9 | 50% | 0.496 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -56.1 | -36 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I13 V14 T20 | I13-A17 WeakPolarHBondContact O-CB 3.47Å; I13-A17 PolarHBondContact O-N 3.46Å; V14-A17 PolarHBondContact O-N 3.25Å; A17-T20 VanDerWaalsContact CA-OG1 3.28Å; A17-T20 WeakPolarHBondContact CA-OG1 3.43Å; A17-T20 PolarHBondContact O-OG1 3.3Å |
| 18 | T | 43.3 | Very low | 53.5 | Low | 90 Ų | 90 | 95.8 Ų | 95.8 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -84 | -24.7 | 177.6 | 49.9 | 0 | 0 | 0 | 0 | 114.2 | V14 I15 W16 | V14-T18 WeakPolarHBondContact O-CB 3.36Å; V14-T18 WeakPolarHBondContact O-CG2 3.36Å; V14-T18 PolarHBondContact O-N 3.02Å; V14-T18 PolarHBondContact O-OG1 3.2Å; I15-T18 WeakPolarHBondContact CA-OG1 3.34Å; I15-T18 PolarHBondContact O-N 3.48Å; I15-T18 PolarHBondContact O-OG1 3.38Å; W16-T18 PolarHBondContact O-N 3.24Å |
| 19 | F | 39.1 | Very low | 54.8 | Low | 165 Ų | 165 | 92.8 Ų | 92.8 | 72% | 0.724 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -88.2 | -12.5 | 169.8 | -85.8 | -98.1 | 0 | 0 | 0 | 113.5 | I15 W16 E21 | I15-F19 HydrophobicContact CG2-CD2 3.89Å; I15-F19 HydrophobicContact CG2-CE2 4.25Å; I15-F19 WeakPolarHBondContact O-CB 3.49Å; I15-F19 WeakPolarHBondContact O-CD2 3.15Å; I15-F19 PolarHBondContact O-N 3.29Å; W16-F19 CarbonylContact O-C 3.15Å; W16-F19 PolarHBondContact O-N 3.14Å; W16-F19 VanDerWaalsContact O-N 3.07Å; F19-E21 CarbonylContact O-C 3.4Å; F19-E21 PolarHBondContact O-N 3.48Å |
| 20 | T | 38.8 | Very low | 55.6 | Low | 77 Ų | 77 | 90.9 Ų | 90.9 | 47% | 0.472 | 46% | 0.464 | S | S | . | . | trans | -78.3 | 1.2 | 170.7 | 47.9 | 0 | 0 | 0 | 0 | 113.6 | W16 A17 S22 | W16-T20 HydrophobicContact CE3-CG2 3.84Å; W16-T20 HydrophobicContact CZ3-CG2 4.27Å; W16-T20 WeakPolarHBondContact O-CB 3.44Å; W16-T20 WeakPolarHBondContact O-CG2 3.18Å; W16-T20 PolarHBondContact O-N 2.78Å; W16-T20 PolarHBondContact O-OG1 3.45Å; A17-T20 VanDerWaalsContact CA-OG1 3.28Å; A17-T20 WeakPolarHBondContact CA-OG1 3.43Å; A17-T20 PolarHBondContact O-OG1 3.3Å; T20-S22 PolarHBondContact O-N 3.24Å | ||
| 21 | E | 34.8 | Very low | 56.9 | Low | 152 Ų | 152 | 90.7 Ų | 90.7 | 71% | 0.71 | 46% | 0.459 | S | S | * | . | trans | -67.7 | 63.1 | 143.4 | -70.8 | -164.1 | 171.6 | 0 | 0 | 109.5 | F19 Y23 | F19-E21 CarbonylContact O-C 3.4Å; F19-E21 PolarHBondContact O-N 3.48Å; E21-Y23 VanDerWaalsContact C-N 3.29Å; E21-Y23 PolarHBondContact O-N 2.89Å | ||
| 22 | S | 40.8 | Very low | 58.1 | Low | 80 Ų | 80 | 84.4 Ų | 84.4 | 56% | 0.559 | 43% | 0.432 | S | S | * | . | trans | -62.3 | 96.7 | 166.3 | -179.1 | 0 | 0 | 0 | 0 | 106.3 | T20 Y24 | T20-S22 PolarHBondContact O-N 3.24Å; S22-Y24 PolarHBondContact O-N 2.62Å | ||
| 23 | Y | 41.7 | Very low | 59.8 | Low | 198 Ų | 198 | 79.4 Ų | 79.4 | 78% | 0.776 | 41% | 0.411 | S | S | * | . | trans | -71.5 | 76.4 | -166.5 | -143 | -92.9 | 0 | 0 | 0 | 110.2 | E21 P25 | E21-Y23 VanDerWaalsContact C-N 3.29Å; E21-Y23 PolarHBondContact O-N 2.89Å; Y23-P25 WeakPolarHBondContact O-CD 3.44Å; Y23-P25 VanDerWaalsContact O-N 3.07Å | ||
| 24 | Y | 49.8 | Very low | 61.3 | Low | 36 Ų | 36 | 82.4 Ų | 82.4 | 14% | 0.141 | 42% | 0.416 | C | S | . | . | trans | -60.6 | 109.6 | 175.1 | -151.5 | -66.8 | 0 | 0 | 0 | 106.5 | S22 T26 V28 G109 V110 Y153 R352 | S22-Y24 PolarHBondContact O-N 2.62Å; Y24-T26 PolarHBondContact O-N 3.37Å; Y24-V28 HydrophobicContact CD1-CB 4.4Å; Y24-V28 HydrophobicContact CE1-CB 4Å; Y24-V28 HydrophobicContact CE1-CG1 3.88Å; Y24-G109 VanDerWaalsContact CE2-O 3.24Å; Y24-G109 WeakPolarHBondContact CE2-O 3.43Å; Y24-V110 HydrophobicContact CE2-CG2 4.27Å; Y24-Y153 HydrophobicContact CD1-CD1 4.44Å; Y24-Y153 HydrophobicContact CD1-CE1 4.33Å; Y24-Y153 HydrophobicContact CD2-CD1 4.44Å; Y24-Y153 AromaticContact CE1-CD1 3.78Å; Y24-Y153 HydrophobicContact CE1-CD1 3.78Å; Y24-Y153 HydrophobicContact CE1-CE1 4.09Å; Y24-Y153 AromaticContact CE2-CD1 3.78Å; Y24-Y153 HydrophobicContact CE2-CD1 3.78Å; Y24-Y153 HydrophobicContact CE2-CE1 4.31Å; Y24-Y153 AromaticContact CZ-CD1 3.41Å; Y24-Y153 VanDerWaalsContact CZ-CD1 3.41Å; Y24-R352 VanDerWaalsContact CE1-NH1 3.3Å | ||
| 25 | P | 53.3 | Low | 63.1 | Low | 52 Ų | 52 | 80.8 Ų | 80.8 | 34% | 0.338 | 40% | 0.404 | S | S | . | . | trans | -64.2 | 131.1 | -169.3 | -19.5 | 31.2 | 0 | 0 | 0 | 109.2 | Y23 N27 V28 Y153 | Y23-P25 WeakPolarHBondContact O-CD 3.44Å; Y23-P25 VanDerWaalsContact O-N 3.07Å; P25-N27 PolarHBondContact O-N 2.94Å; P25-V28 HydrophobicContact CB-CG2 3.81Å; P25-V28 HydrophobicContact CG-CG2 4.1Å; P25-V28 VanDerWaalsContact O-CG2 3.3Å; P25-V28 WeakPolarHBondContact O-CG2 3.47Å; P25-V28 PolarHBondContact O-N 3.24Å; P25-Y153 WeakPolarHBondContact CD-OH 3.05Å | ||
| 26 | T | 60.8 | Low | 65 | Low | 120 Ų | 120 | 78.3 Ų | 78.3 | 74% | 0.736 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 135.4 | 178.9 | 51.2 | 0 | 0 | 0 | 0 | 110 | Y24 | Y24-T26 PolarHBondContact O-N 3.37Š|
| 27 | N | 76.1 | Confident | 67 | Low | 82 Ų | 82 | 77.2 Ų | 77.2 | 44% | 0.439 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 15.8 | 176 | -143.4 | 36.9 | 0 | 0 | 0 | 116 | P25 N30 K31 E429 | P25-N27 PolarHBondContact O-N 2.94Å; N27-N30 WeakPolarHBondContact OD1-CB 3.24Å; N27-N30 PolarHBondContact OD1-ND2 2.94Å; N27-K31 PolarHBondContact O-N 3.34Å; N27-K31 VanDerWaalsContact O-N 3.14Å; N27-E429 VanDerWaalsContact C-OE1 3.27Å; N27-E429 WeakPolarHBondContact CA-OE1 3.42Å |
| 28 | V | 85.3 | Confident | 68.5 | Low | 13 Ų | 13 | 76.6 Ų | 76.6 | 8% | 0.079 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -70.5 | -43.7 | 177.9 | 159.7 | 0 | 0 | 0 | 0 | 113 | Y24 P25 N30 K31 I32 Y153 E429 | Y24-V28 HydrophobicContact CD1-CB 4.4Å; Y24-V28 HydrophobicContact CE1-CB 4Å; Y24-V28 HydrophobicContact CE1-CG1 3.88Å; P25-V28 HydrophobicContact CB-CG2 3.81Å; P25-V28 HydrophobicContact CG-CG2 4.1Å; P25-V28 VanDerWaalsContact O-CG2 3.3Å; P25-V28 WeakPolarHBondContact O-CG2 3.47Å; P25-V28 PolarHBondContact O-N 3.24Å; V28-N30 VanDerWaalsContact C-N 3.31Å; V28-N30 PolarHBondContact O-N 3.41Å; V28-K31 WeakPolarHBondContact O-CB 3.25Å; V28-K31 PolarHBondContact O-N 2.94Å; V28-K31 VanDerWaalsContact O-N 3.1Å; V28-I32 HydrophobicContact CG1-CD1 4.17Å; V28-I32 PolarHBondContact O-N 3.24Å; V28-Y153 HydrophobicContact CG1-CD1 4.08Å; V28-Y153 HydrophobicContact CG1-CD2 3.53Å; V28-Y153 HydrophobicContact CG1-CE1 4.27Å; V28-Y153 HydrophobicContact CG1-CE2 3.76Å; V28-Y153 HydrophobicContact CG1-CG 3.7Å; V28-Y153 HydrophobicContact CG2-CE2 4.35Å; V28-E429 PolarHBondContact N-OE1 3.39Å |
| 29 | S | 90.2 | Very high | 70 | Confident | 3 Ų | 3 | 72.3 Ų | 72.3 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 178.8 | -77.6 | 0 | 0 | 0 | 0 | 111 | K31 I32 L33 H348 E429 | S29-K31 VanDerWaalsContact C-N 3.29Å; S29-K31 PolarHBondContact O-N 3.47Å; S29-I32 PolarHBondContact O-N 3.18Å; S29-L33 WeakPolarHBondContact O-CG 3.37Å; S29-L33 PolarHBondContact O-N 3.16Å; S29-H348 VanDerWaalsContact CB-O 3.32Å; S29-H348 WeakPolarHBondContact CB-O 3.35Å; S29-H348 PolarHBondContact OG-ND1 2.97Å; S29-E429 WeakPolarHBondContact CB-OE1 3.43Å; S29-E429 PolarHBondContact N-OE1 2.65Å; S29-E429 VanDerWaalsContact N-OE1 3.1Å; S29-E429 PolarHBondContact N-OE2 3.48Å |
| 30 | N | 87.5 | Confident | 71.8 | Confident | 34 Ų | 34 | 66.6 Ų | 66.6 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.5 | -38.5 | 172.1 | -167 | -5.4 | 0 | 0 | 0 | 112 | N27 V28 R34 P421 E429 | N27-N30 WeakPolarHBondContact OD1-CB 3.24Å; N27-N30 PolarHBondContact OD1-ND2 2.94Å; V28-N30 VanDerWaalsContact C-N 3.31Å; V28-N30 PolarHBondContact O-N 3.41Å; N30-R34 VanDerWaalsContact O-CG 3.28Å; N30-R34 WeakPolarHBondContact O-CG 3.34Å; N30-R34 PolarHBondContact O-N 2.92Å; N30-R34 PolarHBondContact OD1-NE 3.39Å; N30-P421 HydrophobicContact CB-CG 4.18Å; N30-E429 PolarHBondContact N-OE1 3.3Å; N30-E429 VanDerWaalsContact N-OE1 3.09Å |
| 31 | K | 89.9 | Confident | 73.5 | Confident | 80 Ų | 80 | 65.8 Ų | 65.8 | 35% | 0.348 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 176 | -172.5 | 175.2 | 178.1 | -179.1 | 0 | 112.3 | N27 V28 S29 R34 L35 E145 L149 | N27-K31 PolarHBondContact O-N 3.34Å; N27-K31 VanDerWaalsContact O-N 3.14Å; V28-K31 WeakPolarHBondContact O-CB 3.25Å; V28-K31 PolarHBondContact O-N 2.94Å; V28-K31 VanDerWaalsContact O-N 3.1Å; S29-K31 VanDerWaalsContact C-N 3.29Å; S29-K31 PolarHBondContact O-N 3.47Å; K31-R34 PolarHBondContact O-N 2.97Å; K31-L35 HydrophobicContact CG-CD1 4.06Å; K31-L35 WeakPolarHBondContact O-CB 3.46Å; K31-L35 WeakPolarHBondContact O-CG 3.49Å; K31-L35 PolarHBondContact O-N 2.83Å; K31-E145 WeakPolarHBondContact CE-OE2 3.46Å; K31-E145 IonicContact NZ-OE1 3.87Å; K31-E145 PolarHBondContact NZ-OE1 3.04Å; K31-E145 IonicContact NZ-OE2 2.73Å; K31-E145 PolarHBondContact NZ-OE2 3.46Å; K31-L149 HydrophobicContact CD-CD1 3.76Å; K31-L149 HydrophobicContact CG-CD1 4.01Å |
| 32 | I | 91.6 | Very high | 74.9 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.8 | -46.9 | 176.5 | -68.5 | 168.2 | 0 | 0 | 0 | 110.6 | V28 S29 R34 L35 V36 F146 L149 L150 H348 | V28-I32 HydrophobicContact CG1-CD1 4.17Å; V28-I32 PolarHBondContact O-N 3.24Å; S29-I32 PolarHBondContact O-N 3.18Å; I32-R34 PolarHBondContact O-N 3.43Å; I32-L35 PolarHBondContact O-N 2.6Å; I32-V36 PolarHBondContact O-N 2.72Å; I32-F146 HydrophobicContact CG2-CE2 4.22Å; I32-L149 HydrophobicContact CD1-CB 4.17Å; I32-L149 HydrophobicContact CG1-CB 3.79Å; I32-L150 HydrophobicContact CG2-CD1 3.85Å; I32-H348 HydrophobicContact CG2-CB 4.48Å |
| 33 | L | 90.5 | Very high | 76 | Confident | 29 Ų | 29 | 60.9 Ų | 60.9 | 15% | 0.152 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.5 | -37.4 | -179.5 | -66.8 | 170 | 0 | 0 | 0 | 113 | S29 V36 E37 H348 R349 | S29-L33 WeakPolarHBondContact O-CG 3.37Å; S29-L33 PolarHBondContact O-N 3.16Å; L33-V36 WeakPolarHBondContact O-CG1 3.23Å; L33-V36 PolarHBondContact O-N 2.8Å; L33-E37 PolarHBondContact O-N 3.45Å; L33-H348 HydrophobicContact CD2-CB 4.31Å; L33-H348 HydrophobicContact CG-CB 4.2Å; L33-R349 HydrophobicContact CD1-CB 3.96Å; L33-R349 HydrophobicContact CD1-CG 4.3Å |
| 34 | R | 88.2 | Confident | 77.2 | Confident | 161 Ų | 161 | 55.4 Ų | 55.4 | 61% | 0.608 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -67.5 | -36.3 | 173.1 | -71.3 | 169.6 | -173.3 | -131.9 | -7.7 | 113.1 | N30 K31 I32 V36 | N30-R34 VanDerWaalsContact O-CG 3.28Å; N30-R34 WeakPolarHBondContact O-CG 3.34Å; N30-R34 PolarHBondContact O-N 2.92Å; N30-R34 PolarHBondContact OD1-NE 3.39Å; K31-R34 PolarHBondContact O-N 2.97Å; I32-R34 PolarHBondContact O-N 3.43Å; R34-V36 VanDerWaalsContact C-N 3.34Å |
| 35 | L | 88.3 | Confident | 78.1 | Confident | 51 Ų | 51 | 55 Ų | 55 | 27% | 0.267 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -73.9 | -26.3 | 177.2 | -73.9 | 172.3 | 0 | 0 | 0 | 112 | K31 I32 W48 E145 F146 L149 | K31-L35 HydrophobicContact CG-CD1 4.06Å; K31-L35 WeakPolarHBondContact O-CB 3.46Å; K31-L35 WeakPolarHBondContact O-CG 3.49Å; K31-L35 PolarHBondContact O-N 2.83Å; I32-L35 PolarHBondContact O-N 2.6Å; L35-W48 WeakPolarHBondContact O-CH2 3.41Å; L35-E145 HydrophobicContact CD1-CG 4.1Å; L35-F146 HydrophobicContact CB-CB 4.06Å; L35-F146 HydrophobicContact CB-CD2 3.85Å; L35-F146 HydrophobicContact CB-CG 4.36Å; L35-F146 HydrophobicContact CD1-CB 4.34Å; L35-L149 HydrophobicContact CD1-CD1 3.73Å |
| 36 | V | 88.2 | Confident | 78.3 | Confident | 8 Ų | 8 | 63.5 Ų | 63.5 | 5% | 0.048 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -82.8 | -22.4 | 177.1 | 88.9 | 0 | 0 | 0 | 0 | 114 | I32 L33 R34 P38 F39 F146 I341 S345 | I32-V36 PolarHBondContact O-N 2.72Å; L33-V36 WeakPolarHBondContact O-CG1 3.23Å; L33-V36 PolarHBondContact O-N 2.8Å; R34-V36 VanDerWaalsContact C-N 3.34Å; V36-P38 VanDerWaalsContact C-CD 3.48Å; V36-P38 VanDerWaalsContact O-N 3.17Å; V36-F39 HydrophobicContact CB-CD2 4.33Å; V36-F39 HydrophobicContact CG2-CB 4.48Å; V36-F39 HydrophobicContact CG2-CD2 3.6Å; V36-F39 HydrophobicContact CG2-CE2 4.25Å; V36-F39 HydrophobicContact CG2-CG 4.49Å; V36-F39 WeakPolarHBondContact O-CB 3.34Å; V36-F39 PolarHBondContact O-N 3.35Å; V36-F146 HydrophobicContact CB-CD2 4.41Å; V36-F146 HydrophobicContact CB-CE2 3.69Å; V36-F146 HydrophobicContact CB-CZ 4.2Å; V36-F146 HydrophobicContact CG2-CE2 3.76Å; V36-F146 HydrophobicContact CG2-CZ 3.72Å; V36-I341 HydrophobicContact CG2-CG2 4.23Å; V36-S345 WeakPolarHBondContact CG2-OG 3.27Å |
| 37 | E | 83.6 | Confident | 78.2 | Confident | 131 Ų | 131 | 67 Ų | 67 | 61% | 0.612 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -46.2 | -48.1 | -171.4 | -173.7 | 172.2 | -166.8 | 0 | 0 | 114.5 | L33 F39 T40 | L33-E37 PolarHBondContact O-N 3.45Å; E37-F39 VanDerWaalsContact C-N 3.32Å; E37-F39 PolarHBondContact O-N 3.12Å; E37-T40 WeakPolarHBondContact O-CB 3.36Å; E37-T40 WeakPolarHBondContact O-CG2 3.35Å; E37-T40 PolarHBondContact O-N 3.26Å; E37-T40 VanDerWaalsContact O-N 3.15Å; E37-T40 PolarHBondContact O-OG1 3.19Å |
| 38 | P | 77 | Confident | 77.8 | Confident | 47 Ų | 47 | 65.4 Ų | 65.4 | 31% | 0.305 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -80.5 | -1.1 | -177.3 | 2.6 | 14.1 | 0 | 0 | 0 | 114.9 | V36 T40 E44 W48 | V36-P38 VanDerWaalsContact C-CD 3.48Å; V36-P38 VanDerWaalsContact O-N 3.17Å; P38-T40 VanDerWaalsContact C-N 3.31Å; P38-E44 WeakPolarHBondContact CB-OE2 3.47Å; P38-W48 VanDerWaalsContact C-CZ2 3.49Å; P38-W48 HydrophobicContact CB-CZ2 3.61Å; P38-W48 HydrophobicContact CG-CH2 4.37Å; P38-W48 HydrophobicContact CG-CZ2 3.72Å; P38-W48 PolarHBondContact O-NE1 2.87Å |
| 39 | F | 74.3 | Confident | 77.1 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -76.1 | -23.8 | 165.3 | -68.9 | -74.5 | 0 | 0 | 0 | 111.4 | V36 E37 V41 H45 W48 L50 F146 Y338 I341 | V36-F39 HydrophobicContact CB-CD2 4.33Å; V36-F39 HydrophobicContact CG2-CB 4.48Å; V36-F39 HydrophobicContact CG2-CD2 3.6Å; V36-F39 HydrophobicContact CG2-CE2 4.25Å; V36-F39 HydrophobicContact CG2-CG 4.49Å; V36-F39 WeakPolarHBondContact O-CB 3.34Å; V36-F39 PolarHBondContact O-N 3.35Å; E37-F39 VanDerWaalsContact C-N 3.32Å; E37-F39 PolarHBondContact O-N 3.12Å; F39-V41 PolarHBondContact O-N 3.06Å; F39-H45 PolarHBondContact O-NE2 2.98Å; F39-W48 HydrophobicContact CB-CZ2 4.46Å; F39-W48 AromaticContact CD1-CD2 3.61Å; F39-W48 HydrophobicContact CD1-CD2 3.61Å; F39-W48 AromaticContact CD1-CE2 3.71Å; F39-W48 AromaticContact CD1-CE3 3.83Å; F39-W48 HydrophobicContact CD1-CE3 3.83Å; F39-W48 HydrophobicContact CD1-CG 4.08Å; F39-W48 HydrophobicContact CD1-CH2 4.2Å; F39-W48 AromaticContact CD1-CZ2 3.99Å; F39-W48 HydrophobicContact CD1-CZ2 3.99Å; F39-W48 HydrophobicContact CD1-CZ3 4.14Å; F39-W48 HydrophobicContact CD2-CE3 4.49Å; F39-W48 AromaticContact CD2-CH2 3.58Å; F39-W48 HydrophobicContact CD2-CH2 3.58Å; F39-W48 AromaticContact CD2-CZ2 3.79Å; F39-W48 HydrophobicContact CD2-CZ2 3.79Å; F39-W48 AromaticContact CD2-CZ3 3.97Å; F39-W48 HydrophobicContact CD2-CZ3 3.97Å; F39-W48 AromaticContact CE1-CD2 3.49Å; F39-W48 HydrophobicContact CE1-CD2 3.49Å; F39-W48 VanDerWaalsContact CE1-CD2 3.49Å; F39-W48 AromaticContact CE1-CE3 3.24Å; F39-W48 HydrophobicContact CE1-CE3 3.24Å; F39-W48 HydrophobicContact CE1-CG 4.1Å; F39-W48 HydrophobicContact CE1-CH2 4.09Å; F39-W48 HydrophobicContact CE1-CZ2 4.28Å; F39-W48 AromaticContact CE1-CZ3 3.59Å; F39-W48 HydrophobicContact CE1-CZ3 3.59Å; F39-W48 AromaticContact CE2-CE3 3.98Å; F39-W48 HydrophobicContact CE2-CE3 3.98Å; F39-W48 AromaticContact CE2-CH2 3.42Å; F39-W48 HydrophobicContact CE2-CH2 3.42Å; F39-W48 VanDerWaalsContact CE2-CH2 3.42Å; F39-W48 HydrophobicContact CE2-CZ2 4.08Å; F39-W48 AromaticContact CE2-CZ3 3.37Å; F39-W48 HydrophobicContact CE2-CZ3 3.37Å; F39-W48 HydrophobicContact CG-CD2 4.26Å; F39-W48 AromaticContact CG-CE2 3.93Å; F39-W48 HydrophobicContact CG-CE3 4.45Å; F39-W48 AromaticContact CG-CH2 3.99Å; F39-W48 HydrophobicContact CG-CH2 3.99Å; F39-W48 AromaticContact CG-CZ2 3.77Å; F39-W48 HydrophobicContact CG-CZ2 3.77Å; F39-W48 HydrophobicContact CG-CZ3 4.34Å; F39-W48 HydrophobicContact CZ-CD2 4.03Å; F39-W48 AromaticContact CZ-CE3 3.34Å; F39-W48 HydrophobicContact CZ-CE3 3.34Å; F39-W48 AromaticContact CZ-CH2 3.71Å; F39-W48 HydrophobicContact CZ-CH2 3.71Å; F39-W48 HydrophobicContact CZ-CZ2 4.33Å; F39-W48 AromaticContact CZ-CZ3 3.17Å; F39-W48 HydrophobicContact CZ-CZ3 3.17Å; F39-L50 HydrophobicContact CE1-CD1 4.04Å; F39-L50 HydrophobicContact CZ-CD1 4.18Å; F39-F146 HydrophobicContact CD2-CE1 4.48Å; F39-F146 AromaticContact CE2-CD1 3.56Å; F39-F146 HydrophobicContact CE2-CD1 3.56Å; F39-F146 AromaticContact CE2-CE1 3.55Å; F39-F146 HydrophobicContact CE2-CE1 3.55Å; F39-F146 HydrophobicContact CE2-CG 4.08Å; F39-F146 HydrophobicContact CE2-CZ 4.04Å; F39-F146 AromaticContact CZ-CD1 3.88Å; F39-F146 HydrophobicContact CZ-CD1 3.88Å; F39-F146 AromaticContact CZ-CE1 3.98Å; F39-F146 HydrophobicContact CZ-CE1 3.98Å; F39-Y338 AromaticContact CD1-CD1 3.48Å; F39-Y338 HydrophobicContact CD1-CD1 3.48Å; F39-Y338 VanDerWaalsContact CD1-CD1 3.48Å; F39-Y338 HydrophobicContact CD1-CE1 4.06Å; F39-Y338 HydrophobicContact CD1-CG 4.34Å; F39-Y338 AromaticContact CE1-CD1 3.88Å; F39-Y338 HydrophobicContact CE1-CD1 3.88Å; F39-Y338 HydrophobicContact CE1-CE1 4.14Å; F39-I341 HydrophobicContact CD2-CG2 3.96Å; F39-I341 HydrophobicContact CE1-CD1 4.46Å; F39-I341 HydrophobicContact CE1-CG2 4.4Å; F39-I341 HydrophobicContact CE2-CG2 3.84Å; F39-I341 HydrophobicContact CG-CG2 4.3Å; F39-I341 HydrophobicContact CZ-CG2 4.05Å |
| 40 | T | 76.3 | Confident | 76.8 | Confident | 45 Ų | 45 | 73.2 Ų | 73.2 | 28% | 0.276 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -73.9 | -9 | -171.4 | 70.8 | 0 | 0 | 0 | 0 | 113.9 | E37 P38 A342 | E37-T40 WeakPolarHBondContact O-CB 3.36Å; E37-T40 WeakPolarHBondContact O-CG2 3.35Å; E37-T40 PolarHBondContact O-N 3.26Å; E37-T40 VanDerWaalsContact O-N 3.15Å; E37-T40 PolarHBondContact O-OG1 3.19Å; P38-T40 VanDerWaalsContact C-N 3.31Å; T40-A342 HydrophobicContact CG2-CB 4.15Å |
| 41 | V | 74.6 | Confident | 76.8 | Confident | 60 Ų | 60 | 76.2 Ų | 76.2 | 36% | 0.364 | 37% | 0.369 | S | S | . | . | trans | -121.9 | 114.1 | -173.1 | -175.5 | 0 | 0 | 0 | 0 | 110.9 | F39 A43 E44 H45 | F39-V41 PolarHBondContact O-N 3.06Å; V41-A43 HydrophobicContact CG1-CB 4.14Å; V41-A43 PolarHBondContact O-N 3.01Å; V41-E44 HydrophobicContact CB-CG 4.28Å; V41-E44 HydrophobicContact CG1-CG 4.25Å; V41-E44 PolarHBondContact O-N 2.88Å; V41-H45 PolarHBondContact O-CD2 2.73Å | ||
| 42 | P | 65 | Low | 76.6 | Confident | 45 Ų | 45 | 75.8 Ų | 75.8 | 29% | 0.292 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -19.1 | -176.7 | -28.2 | 36.4 | 0 | 0 | 0 | 116.2 | E44 R267 Y273 | P42-E44 VanDerWaalsContact C-N 3.26Å; P42-E44 PolarHBondContact O-N 3.07Å; P42-R267 WeakPolarHBondContact CD-O 3.28Å; P42-R267 WeakPolarHBondContact CG-O 3.23Å; P42-Y273 HydrophobicContact CG-CE1 4.3Å |
| 43 | A | 64.1 | Low | 76.2 | Confident | 83 Ų | 83 | 76.9 Ų | 76.9 | 69% | 0.686 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -24.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | V41 | V41-A43 HydrophobicContact CG1-CB 4.14Å; V41-A43 PolarHBondContact O-N 3.01Å |
| 44 | E | 67.4 | Low | 75.7 | Confident | 84 Ų | 84 | 82.1 Ų | 82.1 | 39% | 0.393 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -11.4 | -171.7 | -57.6 | -169.2 | 154.1 | 0 | 0 | 112.9 | P38 V41 P42 R46 Y47 | P38-E44 WeakPolarHBondContact CB-OE2 3.47Å; V41-E44 HydrophobicContact CB-CG 4.28Å; V41-E44 HydrophobicContact CG1-CG 4.25Å; V41-E44 PolarHBondContact O-N 2.88Å; P42-E44 VanDerWaalsContact C-N 3.26Å; P42-E44 PolarHBondContact O-N 3.07Å; E44-R46 PolarHBondContact O-N 3.18Å; E44-Y47 WeakPolarHBondContact O-CD2 3.32Å; E44-Y47 PolarHBondContact O-N 3.42Å |
| 45 | H | 68.2 | Low | 75.5 | Confident | 27 Ų | 27 | 75.7 Ų | 75.7 | 13% | 0.125 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -47.3 | -28.4 | 176.4 | -70.9 | 177.9 | 0 | 0 | 0 | 114.8 | F39 V41 Y47 W48 A268 Y338 | F39-H45 PolarHBondContact O-NE2 2.98Å; V41-H45 PolarHBondContact O-CD2 2.73Å; H45-Y47 PolarHBondContact O-N 3.36Å; H45-W48 PolarHBondContact O-N 2.88Å; H45-A268 PolarHBondContact CE1-O 3.22Å; H45-Y338 HydrophobicContact CB-CD2 4.16Å; H45-Y338 HydrophobicContact CB-CE2 3.8Å; H45-Y338 AromaticContact CD2-CD2 3.71Å; H45-Y338 AromaticContact CD2-CG 3.97Å; H45-Y338 AromaticContact CE1-CD2 3.43Å; H45-Y338 VanDerWaalsContact CE1-CD2 3.43Å; H45-Y338 WeakPolarHBondContact CE1-CD2 3.24Å; H45-Y338 AromaticContact CE1-CG 3.98Å; H45-Y338 AromaticContact CG-CD2 3.51Å; H45-Y338 AromaticContact CG-CE2 3.68Å; H45-Y338 AromaticContact ND1-CD2 3.36Å; H45-Y338 WeakPolarHBondContact ND1-CD2 3.47Å; H45-Y338 AromaticContact ND1-CE2 3.79Å; H45-Y338 AromaticContact NE2-CD2 3.66Å; H45-Y338 AromaticContact NE2-CG 3.8Å |
| 46 | R | 57 | Low | 75.3 | Confident | 230 Ų | 230 | 75.1 Ų | 75.1 | 87% | 0.868 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -65.7 | -13.5 | 178.8 | -72.6 | -173 | 177.8 | 177.5 | 1.1 | 115.6 | E44 | E44-R46 PolarHBondContact O-N 3.18Š|
| 47 | Y | 59.3 | Low | 75.3 | Confident | 195 Ų | 195 | 78.1 Ų | 78.1 | 77% | 0.765 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -92.1 | -1.3 | 178.4 | -58.3 | -67.2 | 0 | 0 | 0 | 113.4 | E44 H45 | E44-Y47 WeakPolarHBondContact O-CD2 3.32Å; E44-Y47 PolarHBondContact O-N 3.42Å; H45-Y47 PolarHBondContact O-N 3.36Å |
| 48 | W | 66.5 | Low | 75.7 | Confident | 47 Ų | 47 | 75 Ų | 75 | 18% | 0.178 | 41% | 0.405 | C | S | . | . | trans | -103.1 | 87.9 | -168 | -67.7 | 95.2 | 0 | 0 | 0 | 114.1 | L35 P38 F39 H45 L50 Y338 | L35-W48 WeakPolarHBondContact O-CH2 3.41Å; P38-W48 VanDerWaalsContact C-CZ2 3.49Å; P38-W48 HydrophobicContact CB-CZ2 3.61Å; P38-W48 HydrophobicContact CG-CH2 4.37Å; P38-W48 HydrophobicContact CG-CZ2 3.72Å; P38-W48 PolarHBondContact O-NE1 2.87Å; F39-W48 HydrophobicContact CB-CZ2 4.46Å; F39-W48 AromaticContact CD1-CD2 3.61Å; F39-W48 HydrophobicContact CD1-CD2 3.61Å; F39-W48 AromaticContact CD1-CE2 3.71Å; F39-W48 AromaticContact CD1-CE3 3.83Å; F39-W48 HydrophobicContact CD1-CE3 3.83Å; F39-W48 HydrophobicContact CD1-CG 4.08Å; F39-W48 HydrophobicContact CD1-CH2 4.2Å; F39-W48 AromaticContact CD1-CZ2 3.99Å; F39-W48 HydrophobicContact CD1-CZ2 3.99Å; F39-W48 HydrophobicContact CD1-CZ3 4.14Å; F39-W48 HydrophobicContact CD2-CE3 4.49Å; F39-W48 AromaticContact CD2-CH2 3.58Å; F39-W48 HydrophobicContact CD2-CH2 3.58Å; F39-W48 AromaticContact CD2-CZ2 3.79Å; F39-W48 HydrophobicContact CD2-CZ2 3.79Å; F39-W48 AromaticContact CD2-CZ3 3.97Å; F39-W48 HydrophobicContact CD2-CZ3 3.97Å; F39-W48 AromaticContact CE1-CD2 3.49Å; F39-W48 HydrophobicContact CE1-CD2 3.49Å; F39-W48 VanDerWaalsContact CE1-CD2 3.49Å; F39-W48 AromaticContact CE1-CE3 3.24Å; F39-W48 HydrophobicContact CE1-CE3 3.24Å; F39-W48 HydrophobicContact CE1-CG 4.1Å; F39-W48 HydrophobicContact CE1-CH2 4.09Å; F39-W48 HydrophobicContact CE1-CZ2 4.28Å; F39-W48 AromaticContact CE1-CZ3 3.59Å; F39-W48 HydrophobicContact CE1-CZ3 3.59Å; F39-W48 AromaticContact CE2-CE3 3.98Å; F39-W48 HydrophobicContact CE2-CE3 3.98Å; F39-W48 AromaticContact CE2-CH2 3.42Å; F39-W48 HydrophobicContact CE2-CH2 3.42Å; F39-W48 VanDerWaalsContact CE2-CH2 3.42Å; F39-W48 HydrophobicContact CE2-CZ2 4.08Å; F39-W48 AromaticContact CE2-CZ3 3.37Å; F39-W48 HydrophobicContact CE2-CZ3 3.37Å; F39-W48 HydrophobicContact CG-CD2 4.26Å; F39-W48 AromaticContact CG-CE2 3.93Å; F39-W48 HydrophobicContact CG-CE3 4.45Å; F39-W48 AromaticContact CG-CH2 3.99Å; F39-W48 HydrophobicContact CG-CH2 3.99Å; F39-W48 AromaticContact CG-CZ2 3.77Å; F39-W48 HydrophobicContact CG-CZ2 3.77Å; F39-W48 HydrophobicContact CG-CZ3 4.34Å; F39-W48 HydrophobicContact CZ-CD2 4.03Å; F39-W48 AromaticContact CZ-CE3 3.34Å; F39-W48 HydrophobicContact CZ-CE3 3.34Å; F39-W48 AromaticContact CZ-CH2 3.71Å; F39-W48 HydrophobicContact CZ-CH2 3.71Å; F39-W48 HydrophobicContact CZ-CZ2 4.33Å; F39-W48 AromaticContact CZ-CZ3 3.17Å; F39-W48 HydrophobicContact CZ-CZ3 3.17Å; H45-W48 PolarHBondContact O-N 2.88Å; W48-L50 PolarHBondContact O-N 2.8Å; W48-Y338 HydrophobicContact CB-CE1 3.89Å; W48-Y338 HydrophobicContact CG-CE1 4.42Å | ||
| 49 | N | 72.5 | Confident | 76.5 | Confident | 159 Ų | 159 | 73.5 Ų | 73.5 | 85% | 0.85 | 39% | 0.394 | S | S | * | . | trans | -90.7 | 70.8 | 177.5 | -70.2 | -29 | 0 | 0 | 0 | 112.6 | ||||
| 50 | L | 83.8 | Confident | 77.4 | Confident | 22 Ų | 22 | 73.7 Ų | 73.7 | 12% | 0.115 | 40% | 0.395 | C | S | . | . | trans | -78.6 | 148.7 | 168.3 | -66.3 | 176 | 0 | 0 | 0 | 110.9 | F39 W48 L136 N140 D144 I341 | F39-L50 HydrophobicContact CE1-CD1 4.04Å; F39-L50 HydrophobicContact CZ-CD1 4.18Å; W48-L50 PolarHBondContact O-N 2.8Å; L50-L136 HydrophobicContact CB-CD1 4.48Å; L50-L136 HydrophobicContact CD1-CD1 3.99Å; L50-L136 HydrophobicContact CD1-CD2 4.23Å; L50-L136 HydrophobicContact CD1-CG 4.38Å; L50-N140 HydrophobicContact CD2-CB 4.43Å; L50-D144 HydrophobicContact CD2-CB 4.22Å; L50-I341 HydrophobicContact CD1-CD1 4.01Å | ||
| 51 | L | 86.7 | Confident | 78.3 | Confident | 96 Ų | 96 | 76.1 Ų | 76.1 | 50% | 0.503 | 40% | 0.403 | S | S | . | . | trans | -76.9 | 122.1 | 174.5 | -63.3 | 178 | 0 | 0 | 0 | 110.4 | M139 N140 | L51-M139 HydrophobicContact CB-CB 4.45Å; L51-M139 HydrophobicContact CB-CE 4.05Å; L51-N140 PolarHBondContact N-OD1 3.4Å; L51-N140 PolarHBondContact O-ND2 3Å | ||
| 52 | E | 85.7 | Confident | 79.3 | Confident | 72 Ų | 72 | 75 Ų | 75 | 34% | 0.336 | 39% | 0.392 | S | S | . | . | trans | -112.1 | 145.2 | -179.4 | -63.5 | -176.3 | -147.6 | 0 | 0 | 111.3 | M139 W333 K337 | E52-M139 WeakPolarHBondContact O-CE 3.34Å; E52-W333 PolarHBondContact OE2-NE1 2.83Å; E52-K337 WeakPolarHBondContact OE1-CE 3.46Å; E52-K337 IonicContact OE1-NZ 2.57Å; E52-K337 PolarHBondContact OE1-NZ 3.47Å; E52-K337 IonicContact OE2-NZ 3.94Å | ||
| 53 | A | 83.2 | Confident | 80.7 | Confident | 23 Ų | 23 | 78.2 Ų | 78.2 | 19% | 0.19 | 41% | 0.407 | C | S | . | . | trans | -78 | 136.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | L55 Y135 M139 | A53-L55 HydrophobicContact CB-CD1 4.23Å; A53-L55 HydrophobicContact CB-CG 4Å; A53-L55 PolarHBondContact O-N 2.85Å; A53-Y135 HydrophobicContact CB-CD1 3.51Å; A53-Y135 HydrophobicContact CB-CE1 4.35Å; A53-Y135 HydrophobicContact CB-CG 3.74Å; A53-M139 HydrophobicContact CB-SD 3.72Å | ||
| 54 | P | 79.1 | Confident | 82.1 | Confident | 138 Ų | 138 | 76.3 Ų | 76.3 | 90% | 0.896 | 39% | 0.389 | S | S | * | . | trans | -75.5 | 62.4 | 175.8 | 32.9 | -36.2 | 0 | 0 | 0 | 111.3 | ||||
| 55 | L | 84.4 | Confident | 83.4 | Confident | 27 Ų | 27 | 72.7 Ų | 72.7 | 14% | 0.141 | 37% | 0.372 | C | S | . | . | trans | -75.7 | 124.6 | 177.3 | -72 | 167.4 | 0 | 0 | 0 | 110.1 | A53 K68 R132 Y135 | A53-L55 HydrophobicContact CB-CD1 4.23Å; A53-L55 HydrophobicContact CB-CG 4Å; A53-L55 PolarHBondContact O-N 2.85Å; L55-K68 HydrophobicContact CD2-CD 4.15Å; L55-R132 HydrophobicContact CD1-CG 3.62Å; L55-Y135 HydrophobicContact CD1-CD2 3.72Å; L55-Y135 HydrophobicContact CD1-CE2 4.2Å; L55-Y135 HydrophobicContact CD1-CG 4.12Å; L55-Y135 HydrophobicContact CD2-CD2 4.36Å; L55-Y135 HydrophobicContact CD2-CE2 4.03Å; L55-Y135 HydrophobicContact CG-CD2 4.49Å | ||
| 56 | G | 84 | Confident | 84.7 | Confident | 38 Ų | 38 | 73.6 Ų | 73.6 | 39% | 0.392 | 38% | 0.376 | S | S | . | . | trans | -56.3 | 149.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S58 R132 | G56-S58 PolarHBondContact O-N 3.35Å; G56-R132 PolarHBondContact O-NH2 2.91Å | ||
| 57 | N | 88.9 | Confident | 86.5 | Confident | 72 Ų | 72 | 68.4 Ų | 68.4 | 39% | 0.385 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -80.3 | 60.7 | 175.9 | -83.8 | -18.3 | 0 | 0 | 0 | 111 | G326 S330 | N57-G326 CarbonylContact C-O 3.42Å; N57-G326 WeakPolarHBondContact CA-O 3.31Å; N57-G326 WeakPolarHBondContact CB-O 3.44Å; N57-G326 CarbonylContact O-C 3.59Å; N57-G326 WeakPolarHBondContact O-CA 3.47Å; N57-S330 VanDerWaalsContact CG-OG 3.27Å; N57-S330 PolarHBondContact ND2-OG 2.83Å; N57-S330 PolarHBondContact OD1-N 3.25Å; N57-S330 PolarHBondContact OD1-OG 3.34Å |
| 58 | S | 91.9 | Very high | 88.2 | Confident | 64 Ų | 64 | 61 Ų | 61 | 45% | 0.448 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -151 | 134.9 | 180 | 58.4 | 0 | 0 | 0 | 0 | 109.3 | G56 | G56-S58 PolarHBondContact O-N 3.35Š|
| 59 | Y | 94 | Very high | 89.6 | Confident | 16 Ų | 16 | 58.9 Ų | 58.9 | 6% | 0.063 | 33% | 0.325 | C | S | . | . | trans | -67.6 | 142.2 | -177 | -74.5 | -88.3 | 0 | 0 | 0 | 113.3 | H61 A124 E128 E172 Y323 P324 I329 | Y59-H61 PolarHBondContact O-N 3.31Å; Y59-A124 HydrophobicContact CD1-CB 4.05Å; Y59-A124 HydrophobicContact CE1-CB 3.67Å; Y59-E128 HydrophobicContact CD1-CG 3.53Å; Y59-E128 HydrophobicContact CE1-CG 3.69Å; Y59-E128 HydrophobicContact CG-CG 4.48Å; Y59-E172 HydrophobicContact CD2-CG 4.28Å; Y59-E172 HydrophobicContact CE2-CG 4.24Å; Y59-Y323 AromaticContact CD1-CE1 3.93Å; Y59-Y323 HydrophobicContact CD1-CE1 3.93Å; Y59-Y323 HydrophobicContact CD2-CD1 4.38Å; Y59-Y323 AromaticContact CD2-CE1 3.55Å; Y59-Y323 HydrophobicContact CD2-CE1 3.55Å; Y59-Y323 HydrophobicContact CE1-CD1 4.41Å; Y59-Y323 HydrophobicContact CE1-CE1 4.03Å; Y59-Y323 HydrophobicContact CE2-CD1 4.01Å; Y59-Y323 AromaticContact CE2-CE1 3.64Å; Y59-Y323 HydrophobicContact CE2-CE1 3.64Å; Y59-Y323 AromaticContact CG-CE1 3.7Å; Y59-Y323 HydrophobicContact CG-CE1 3.7Å; Y59-Y323 AromaticContact CZ-CE1 3.88Å; Y59-P324 VanDerWaalsContact CE2-O 3.24Å; Y59-P324 WeakPolarHBondContact CE2-O 3.46Å; Y59-P324 WeakPolarHBondContact OH-CB 3.22Å; Y59-P324 WeakPolarHBondContact OH-CD 3.49Å; Y59-P324 PolarHBondContact OH-O 2.84Å; Y59-I329 HydrophobicContact CD1-CD1 4.25Å; Y59-I329 HydrophobicContact CD2-CD1 3.87Å; Y59-I329 HydrophobicContact CE1-CD1 4.09Å; Y59-I329 HydrophobicContact CE1-CG1 4.24Å; Y59-I329 HydrophobicContact CE2-CD1 3.7Å; Y59-I329 HydrophobicContact CE2-CG1 3.93Å; Y59-I329 HydrophobicContact CG-CD1 4.14Å | ||
| 60 | N | 93.4 | Very high | 90.7 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | trans | -94.7 | 99.1 | -177.5 | -61.1 | -75.1 | 0 | 0 | 0 | 110.8 | L65 K68 R127 E128 | N60-L65 HydrophobicContact CB-CB 4.16Å; N60-K68 WeakPolarHBondContact OD1-CD 3.49Å; N60-K68 WeakPolarHBondContact OD1-CE 3.39Å; N60-K68 PolarHBondContact OD1-NZ 2.79Å; N60-R127 VanDerWaalsContact O-CZ 3.27Å; N60-R127 PolarHBondContact O-NE 3.48Å; N60-R127 PolarHBondContact O-NH2 3.27Å; N60-E128 WeakPolarHBondContact CB-OE1 3.38Å; N60-E128 PolarHBondContact N-OE1 3.12Å; N60-E128 PolarHBondContact ND2-OE1 3.06Å; N60-E128 PolarHBondContact ND2-OE2 3.39Å | ||
| 61 | H | 94.5 | Very high | 91.3 | Very high | 96 Ų | 96 | 57.4 Ų | 57.4 | 44% | 0.444 | 31% | 0.312 | S | S | . | . | trans | -56.5 | 159.3 | 166.9 | -70.9 | -92 | 0 | 0 | 0 | 112 | Y59 D63 S64 L65 F167 E168 | Y59-H61 PolarHBondContact O-N 3.31Å; H61-D63 PolarHBondContact O-N 2.93Å; H61-S64 PolarHBondContact O-N 3.49Å; H61-L65 PolarHBondContact O-N 2.84Å; H61-F167 AromaticContact ND1-CE1 3.94Å; H61-E168 WeakPolarHBondContact CA-OE1 3.19Å; H61-E168 IonicContact CE1-OE2 3.55Å; H61-E168 IonicContact CG-OE2 3.15Å; H61-E168 IonicContact ND1-OE1 3.7Å; H61-E168 IonicContact ND1-OE2 3.59Å; H61-E168 PolarHBondContact ND1-OE2 3.28Å | ||
| 62 | Y | 95.4 | Very high | 91.7 | Very high | 36 Ų | 36 | 52.8 Ų | 52.8 | 14% | 0.141 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -43.5 | -54.9 | -164.7 | 171.7 | -98.9 | 0 | 0 | 0 | 114.5 | S64 L65 F66 R92 E93 W95 P164 E168 | Y62-S64 PolarHBondContact O-N 3.48Å; Y62-L65 PolarHBondContact O-N 3.17Å; Y62-F66 PolarHBondContact O-N 3.26Å; Y62-R92 HydrophobicContact CD1-CG 4.41Å; Y62-R92 HydrophobicContact CD2-CB 4.05Å; Y62-R92 HydrophobicContact CD2-CG 4.29Å; Y62-R92 HydrophobicContact CE1-CB 4.45Å; Y62-R92 HydrophobicContact CE1-CG 4.4Å; Y62-R92 HydrophobicContact CE2-CB 3.67Å; Y62-R92 HydrophobicContact CE2-CG 4.27Å; Y62-R92 HydrophobicContact CG-CG 4.37Å; Y62-E93 PolarHBondContact OH-N 2.74Å; Y62-W95 PolarHBondContact OH-NE1 3Å; Y62-P164 HydrophobicContact CD2-CB 4.2Å; Y62-E168 WeakPolarHBondContact CB-OE1 3.36Å; Y62-E168 PolarHBondContact N-OE1 3.1Å |
| 63 | D | 94.3 | Very high | 92.1 | Very high | 113 Ų | 113 | 50.5 Ų | 50.5 | 60% | 0.604 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -64.9 | -40.5 | -178.4 | -59.7 | -54.5 | 0 | 0 | 0 | 111.8 | H61 F66 E67 | H61-D63 PolarHBondContact O-N 2.93Å; D63-F66 PolarHBondContact O-N 3.38Å; D63-E67 WeakPolarHBondContact O-CG 3.42Å; D63-E67 PolarHBondContact O-N 2.91Å |
| 64 | S | 94.2 | Very high | 92.7 | Very high | 43 Ų | 43 | 57.3 Ų | 57.3 | 30% | 0.301 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -72.6 | -31.9 | 179.5 | -164.8 | 0 | 0 | 0 | 0 | 113 | H61 Y62 K68 | H61-S64 PolarHBondContact O-N 3.49Å; Y62-S64 PolarHBondContact O-N 3.48Å; S64-K68 WeakPolarHBondContact O-CB 3.5Å; S64-K68 WeakPolarHBondContact O-CG 3.13Å; S64-K68 PolarHBondContact O-N 3.07Å; S64-K68 VanDerWaalsContact O-N 3.07Å |
| 65 | L | 95.3 | Very high | 93.4 | Very high | 8 Ų | 8 | 57.1 Ų | 57.1 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.5 | -48.9 | 168.7 | 174.8 | 67.7 | 0 | 0 | 0 | 109.9 | N60 H61 Y62 K68 M69 R127 L131 P160 | N60-L65 HydrophobicContact CB-CB 4.16Å; H61-L65 PolarHBondContact O-N 2.84Å; Y62-L65 PolarHBondContact O-N 3.17Å; L65-K68 PolarHBondContact O-N 2.99Å; L65-M69 HydrophobicContact CD1-CG 4.24Å; L65-M69 HydrophobicContact CD1-SD 4.3Å; L65-M69 HydrophobicContact CD2-SD 4.38Å; L65-M69 HydrophobicContact CG-CG 4.38Å; L65-M69 HydrophobicContact CG-SD 4.03Å; L65-M69 WeakPolarHBondContact O-CG 3.39Å; L65-M69 PolarHBondContact O-N 3.02Å; L65-R127 HydrophobicContact CD1-CG 4.5Å; L65-R127 HydrophobicContact CD2-CG 4.14Å; L65-L131 HydrophobicContact CD1-CB 4.44Å; L65-L131 HydrophobicContact CD1-CD1 4.03Å; L65-L131 HydrophobicContact CD1-CD2 3.93Å; L65-L131 HydrophobicContact CD1-CG 4.36Å; L65-P160 HydrophobicContact CD1-CB 4.09Å; L65-P160 HydrophobicContact CD1-CG 4.27Å; L65-P160 HydrophobicContact CD2-CB 4.01Å; L65-P160 HydrophobicContact CD2-CG 4.47Å |
| 66 | F | 95.1 | Very high | 93.8 | Very high | 47 Ų | 47 | 56.6 Ų | 56.6 | 21% | 0.206 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 179.3 | 171.5 | -116.3 | 0 | 0 | 0 | 111.7 | Y62 D63 K68 M69 Q70 L82 W95 | Y62-F66 PolarHBondContact O-N 3.26Å; D63-F66 PolarHBondContact O-N 3.38Å; F66-K68 VanDerWaalsContact C-N 3.29Å; F66-K68 PolarHBondContact O-N 3.35Å; F66-M69 PolarHBondContact O-N 3.21Å; F66-Q70 VanDerWaalsContact O-CB 3.28Å; F66-Q70 WeakPolarHBondContact O-CB 3.39Å; F66-Q70 PolarHBondContact O-N 3.2Å; F66-L82 HydrophobicContact CD2-CD2 4.26Å; F66-L82 HydrophobicContact CE2-CD2 3.85Å; F66-W95 AromaticContact CD2-CD1 3.74Å; F66-W95 AromaticContact CD2-CD2 3.59Å; F66-W95 HydrophobicContact CD2-CD2 3.59Å; F66-W95 AromaticContact CD2-CE2 3.23Å; F66-W95 HydrophobicContact CD2-CE3 4.25Å; F66-W95 AromaticContact CD2-CG 3.93Å; F66-W95 HydrophobicContact CD2-CG 3.93Å; F66-W95 HydrophobicContact CD2-CH2 4.35Å; F66-W95 AromaticContact CD2-CZ2 3.67Å; F66-W95 HydrophobicContact CD2-CZ2 3.67Å; F66-W95 AromaticContact CD2-NE1 3.27Å; F66-W95 VanDerWaalsContact CD2-NE1 3.27Å; F66-W95 AromaticContact CE2-CD2 3.74Å; F66-W95 HydrophobicContact CE2-CD2 3.74Å; F66-W95 AromaticContact CE2-CE2 3.33Å; F66-W95 AromaticContact CE2-CE3 3.97Å; F66-W95 HydrophobicContact CE2-CE3 3.97Å; F66-W95 AromaticContact CE2-CH2 3.57Å; F66-W95 HydrophobicContact CE2-CH2 3.57Å; F66-W95 AromaticContact CE2-CZ2 3.25Å; F66-W95 HydrophobicContact CE2-CZ2 3.25Å; F66-W95 AromaticContact CE2-CZ3 3.9Å; F66-W95 HydrophobicContact CE2-CZ3 3.9Å; F66-W95 AromaticContact CE2-NE1 3.87Å; F66-W95 HydrophobicContact CG-CZ2 4.47Å; F66-W95 AromaticContact CG-NE1 3.72Å; F66-W95 HydrophobicContact CZ-CH2 4.06Å; F66-W95 AromaticContact CZ-CZ2 3.76Å; F66-W95 HydrophobicContact CZ-CZ2 3.76Å |
| 67 | E | 95.1 | Very high | 94.1 | Very high | 121 Ų | 121 | 58.9 Ų | 58.9 | 57% | 0.565 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -54.1 | -44.6 | 173.2 | -76.4 | -179.2 | 156.4 | 0 | 0 | 111.9 | D63 Q70 E71 | D63-E67 WeakPolarHBondContact O-CG 3.42Å; D63-E67 PolarHBondContact O-N 2.91Å; E67-Q70 CarbonylContact O-C 3.52Å; E67-Q70 PolarHBondContact O-N 2.68Å; E67-E71 PolarHBondContact O-N 3.37Å |
| 68 | K | 94.9 | Very high | 94.1 | Very high | 39 Ų | 39 | 63.4 Ų | 63.4 | 17% | 0.17 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -71.6 | -36.5 | 178.8 | -75.2 | 179.7 | 178.4 | 177 | 0 | 113.7 | L55 N60 S64 L65 F66 Q70 E71 V72 L131 Y135 | L55-K68 HydrophobicContact CD2-CD 4.15Å; N60-K68 WeakPolarHBondContact OD1-CD 3.49Å; N60-K68 WeakPolarHBondContact OD1-CE 3.39Å; N60-K68 PolarHBondContact OD1-NZ 2.79Å; S64-K68 WeakPolarHBondContact O-CB 3.5Å; S64-K68 WeakPolarHBondContact O-CG 3.13Å; S64-K68 PolarHBondContact O-N 3.07Å; S64-K68 VanDerWaalsContact O-N 3.07Å; L65-K68 PolarHBondContact O-N 2.99Å; F66-K68 VanDerWaalsContact C-N 3.29Å; F66-K68 PolarHBondContact O-N 3.35Å; K68-Q70 VanDerWaalsContact C-N 3.28Å; K68-E71 WeakPolarHBondContact O-CB 3.45Å; K68-E71 PolarHBondContact O-N 3.36Å; K68-V72 WeakPolarHBondContact O-CG2 3.35Å; K68-V72 PolarHBondContact O-N 2.8Å; K68-V72 VanDerWaalsContact O-N 3.07Å; K68-L131 HydrophobicContact CB-CD1 4.16Å; K68-L131 HydrophobicContact CB-CD2 4.2Å; K68-L131 HydrophobicContact CD-CD2 4.04Å; K68-Y135 HydrophobicContact CB-CE2 4.38Å; K68-Y135 PolarHBondContact O-OH 2.82Å |
| 69 | M | 95.8 | Very high | 94.2 | Very high | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.9 | -38.2 | 170.9 | -68.4 | 177.8 | 78.1 | 0 | 0 | 110.8 | L65 F66 V72 S73 L82 W95 L97 L131 P160 | L65-M69 HydrophobicContact CD1-CG 4.24Å; L65-M69 HydrophobicContact CD1-SD 4.3Å; L65-M69 HydrophobicContact CD2-SD 4.38Å; L65-M69 HydrophobicContact CG-CG 4.38Å; L65-M69 HydrophobicContact CG-SD 4.03Å; L65-M69 WeakPolarHBondContact O-CG 3.39Å; L65-M69 PolarHBondContact O-N 3.02Å; F66-M69 PolarHBondContact O-N 3.21Å; M69-V72 PolarHBondContact O-N 2.92Å; M69-S73 PolarHBondContact O-N 3.03Å; M69-L82 HydrophobicContact CB-CD1 3.98Å; M69-L82 HydrophobicContact CB-CD2 4.21Å; M69-L82 HydrophobicContact CE-CD1 3.84Å; M69-W95 HydrophobicContact CE-CB 3.77Å; M69-W95 HydrophobicContact SD-CB 3.8Å; M69-L97 HydrophobicContact CE-CB 3.83Å; M69-L131 HydrophobicContact CG-CD1 4.15Å; M69-P160 HydrophobicContact CE-CG 3.81Å; M69-P160 HydrophobicContact CG-CG 4.48Å; M69-P160 HydrophobicContact SD-CG 3.74Å |
| 70 | Q | 95.4 | Very high | 94.2 | Very high | 61 Ų | 61 | 60.3 Ų | 60.3 | 29% | 0.285 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -71.4 | -30.7 | 176.3 | -156.8 | -176.4 | 54.1 | 0 | 0 | 112.1 | F66 E67 K68 R74 L82 | F66-Q70 VanDerWaalsContact O-CB 3.28Å; F66-Q70 WeakPolarHBondContact O-CB 3.39Å; F66-Q70 PolarHBondContact O-N 3.2Å; E67-Q70 CarbonylContact O-C 3.52Å; E67-Q70 PolarHBondContact O-N 2.68Å; K68-Q70 VanDerWaalsContact C-N 3.28Å; Q70-R74 VanDerWaalsContact CD-NH2 3.26Å; Q70-R74 WeakPolarHBondContact O-CB 2.98Å; Q70-R74 WeakPolarHBondContact O-CG 3.2Å; Q70-R74 PolarHBondContact O-N 2.73Å; Q70-L82 HydrophobicContact CB-CD2 3.86Å; Q70-L82 HydrophobicContact CG-CD2 4.13Å |
| 71 | E | 95.3 | Very high | 94.3 | Very high | 89 Ų | 89 | 61.6 Ų | 61.6 | 42% | 0.416 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.7 | -50.6 | 168.5 | -172.4 | -169.7 | 143.8 | 0 | 0 | 111.2 | E67 K68 S73 R74 R75 Y135 | E67-E71 PolarHBondContact O-N 3.37Å; K68-E71 WeakPolarHBondContact O-CB 3.45Å; K68-E71 PolarHBondContact O-N 3.36Å; E71-S73 VanDerWaalsContact C-N 3.3Å; E71-S73 PolarHBondContact O-N 2.96Å; E71-R74 PolarHBondContact O-N 3.09Å; E71-R75 VanDerWaalsContact O-CB 3.31Å; E71-R75 WeakPolarHBondContact O-CB 3.45Å; E71-R75 PolarHBondContact O-N 3.47Å; E71-Y135 VanDerWaalsContact CD-OH 3.25Å; E71-Y135 PolarHBondContact OE2-OH 3.31Å |
| 72 | V | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.4 | -45.1 | 177.1 | 179.8 | 0 | 0 | 0 | 0 | 110.8 | K68 M69 R75 C76 L97 F99 A134 Y135 C138 | K68-V72 WeakPolarHBondContact O-CG2 3.35Å; K68-V72 PolarHBondContact O-N 2.8Å; K68-V72 VanDerWaalsContact O-N 3.07Å; M69-V72 PolarHBondContact O-N 2.92Å; V72-R75 PolarHBondContact O-N 3.28Å; V72-R75 VanDerWaalsContact O-N 3.17Å; V72-C76 PolarHBondContact O-N 3.16Å; V72-L97 HydrophobicContact CB-CD2 3.96Å; V72-L97 HydrophobicContact CG1-CD2 3.75Å; V72-F99 HydrophobicContact CG1-CZ 3.82Å; V72-A134 HydrophobicContact CG1-CB 4.38Å; V72-Y135 HydrophobicContact CG2-CD1 3.97Å; V72-Y135 HydrophobicContact CG2-CD2 3.48Å; V72-Y135 VanDerWaalsContact CG2-CD2 3.48Å; V72-Y135 HydrophobicContact CG2-CE1 3.79Å; V72-Y135 HydrophobicContact CG2-CE2 3.26Å; V72-Y135 HydrophobicContact CG2-CG 3.83Å; V72-Y135 VanDerWaalsContact CG2-CZ 3.41Å; V72-C138 HydrophobicContact CG1-CB 3.72Å |
| 73 | S | 94.4 | Very high | 94.3 | Very high | 23 Ų | 23 | 59.4 Ų | 59.4 | 16% | 0.161 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.4 | -38.9 | 179 | -172.7 | 0 | 0 | 0 | 0 | 113 | M69 E71 R75 C76 P77 T80 | M69-S73 PolarHBondContact O-N 3.03Å; E71-S73 VanDerWaalsContact C-N 3.3Å; E71-S73 PolarHBondContact O-N 2.96Å; S73-R75 VanDerWaalsContact C-N 3.29Å; S73-R75 PolarHBondContact O-N 3.41Å; S73-C76 CarbonylContact O-C 3.55Å; S73-P77 VanDerWaalsContact O-CA 3.32Å; S73-P77 WeakPolarHBondContact O-CA 3.44Å; S73-T80 WeakPolarHBondContact CA-OG1 3.37Å |
| 74 | R | 94.9 | Very high | 94.3 | Very high | 166 Ų | 166 | 56.4 Ų | 56.4 | 63% | 0.626 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -63.5 | -32.4 | 171.2 | -76.8 | 173.1 | -178.5 | 115.1 | 0.1 | 113.1 | Q70 E71 P77 | Q70-R74 VanDerWaalsContact CD-NH2 3.26Å; Q70-R74 WeakPolarHBondContact O-CB 2.98Å; Q70-R74 WeakPolarHBondContact O-CG 3.2Å; Q70-R74 PolarHBondContact O-N 2.73Å; E71-R74 PolarHBondContact O-N 3.09Å; R74-P77 WeakPolarHBondContact O-CD 3.47Å |
| 75 | R | 94.2 | Very high | 94.4 | Very high | 134 Ų | 134 | 55.7 Ų | 55.7 | 51% | 0.506 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -80.9 | -32.8 | -177.8 | -172.6 | 173.1 | -180 | 162.7 | -3.6 | 112.6 | E71 V72 S73 P77 | E71-R75 VanDerWaalsContact O-CB 3.31Å; E71-R75 WeakPolarHBondContact O-CB 3.45Å; E71-R75 PolarHBondContact O-N 3.47Å; V72-R75 PolarHBondContact O-N 3.28Å; V72-R75 VanDerWaalsContact O-N 3.17Å; S73-R75 VanDerWaalsContact C-N 3.29Å; S73-R75 PolarHBondContact O-N 3.41Å; R75-P77 WeakPolarHBondContact O-CD 3.36Å |
| 76 | C | 93.2 | Very high | 94.5 | Very high | 16 Ų | 16 | 56.2 Ų | 56.2 | 11% | 0.108 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -123.7 | 51 | -179.3 | -70.9 | 0 | 0 | 0 | 0 | 113.9 | V72 S73 M78 I79 T80 C138 | V72-C76 PolarHBondContact O-N 3.16Å; S73-C76 CarbonylContact O-C 3.55Å; C76-M78 VanDerWaalsContact C-N 3.26Å; C76-M78 PolarHBondContact O-N 3.35Å; C76-I79 HydrophobicContact CB-CD1 4.03Å; C76-I79 HydrophobicContact CB-CG1 3.83Å; C76-I79 WeakPolarHBondContact O-CG1 3.21Å; C76-I79 PolarHBondContact O-N 3.18Å; C76-T80 HydrophobicContact CB-CG2 4.12Å; C76-T80 PolarHBondContact O-N 2.78Å; C76-T80 VanDerWaalsContact O-N 3.12Å; C76-T80 PolarHBondContact O-OG1 3.04Å; C76-C138 HydrophobicContact CB-CB 3.9Å; C76-C138 WeakPolarHBondContact CB-SG 3.23Å; C76-C138 VanDerWaalsContact SG-C 3.55Å; C76-C138 WeakPolarHBondContact SG-CA 3.39Å; C76-C138 WeakPolarHBondContact SG-CB 3.45Å; C76-C138 PolarHBondContact SG-O 3.42Å; C76-C138 CovalentContact SG-SG 2.04Å; C76-C138 PolarHBondContact SG-SG 3.19Å |
| 77 | P | 91.1 | Very high | 94.6 | Very high | 87 Ų | 87 | 58.8 Ų | 58.8 | 57% | 0.565 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -14.5 | -168.6 | 31.6 | -37.9 | 0 | 0 | 0 | 114.3 | S73 R74 R75 I79 | S73-P77 VanDerWaalsContact O-CA 3.32Å; S73-P77 WeakPolarHBondContact O-CA 3.44Å; R74-P77 WeakPolarHBondContact O-CD 3.47Å; R75-P77 WeakPolarHBondContact O-CD 3.36Å; P77-I79 VanDerWaalsContact C-N 3.32Å |
| 78 | M | 88.9 | Confident | 94.7 | Very high | 167 Ų | 167 | 53.3 Ų | 53.3 | 82% | 0.823 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -11.3 | 177.4 | -64.7 | -64.8 | -67.4 | 0 | 0 | 113.3 | C76 | C76-M78 VanDerWaalsContact C-N 3.26Å; C76-M78 PolarHBondContact O-N 3.35Å |
| 79 | I | 92.8 | Very high | 94.8 | Very high | 7 Ų | 7 | 53.2 Ų | 53.2 | 4% | 0.036 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -136.4 | 4.8 | -174.9 | 56.5 | 157.6 | 0 | 0 | 0 | 113.3 | C76 P77 F99 G100 Y141 V151 | C76-I79 HydrophobicContact CB-CD1 4.03Å; C76-I79 HydrophobicContact CB-CG1 3.83Å; C76-I79 WeakPolarHBondContact O-CG1 3.21Å; C76-I79 PolarHBondContact O-N 3.18Å; P77-I79 VanDerWaalsContact C-N 3.32Å; I79-F99 HydrophobicContact CD1-CD1 4.21Å; I79-F99 HydrophobicContact CD1-CE1 4.4Å; I79-F99 CarbonylContact O-C 3.54Å; I79-F99 WeakPolarHBondContact O-CA 3.28Å; I79-G100 CarbonylContact C-O 3.04Å; I79-G100 WeakPolarHBondContact CA-O 3.24Å; I79-G100 PolarHBondContact O-N 3.18Å; I79-Y141 HydrophobicContact CD1-CD1 3.77Å; I79-Y141 HydrophobicContact CD1-CD2 4.03Å; I79-Y141 HydrophobicContact CD1-CE1 4.34Å; I79-Y141 HydrophobicContact CD1-CG 3.59Å; I79-Y141 HydrophobicContact CG2-CD1 4.25Å; I79-Y141 HydrophobicContact CG2-CE1 3.69Å; I79-Y141 HydrophobicContact CG2-CE2 4.16Å; I79-V151 HydrophobicContact CB-CG1 4.06Å; I79-V151 HydrophobicContact CD1-CG1 4.01Å; I79-V151 HydrophobicContact CG2-CG1 4.32Å |
| 80 | T | 95.1 | Very high | 94.7 | Very high | 7 Ų | 7 | 55.5 Ų | 55.5 | 4% | 0.043 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 147.9 | -178.6 | 59.4 | 0 | 0 | 0 | 0 | 113.3 | S73 C76 L97 S98 F99 | S73-T80 WeakPolarHBondContact CA-OG1 3.37Å; C76-T80 HydrophobicContact CB-CG2 4.12Å; C76-T80 PolarHBondContact O-N 2.78Å; C76-T80 VanDerWaalsContact O-N 3.12Å; C76-T80 PolarHBondContact O-OG1 3.04Å; T80-L97 HydrophobicContact CG2-CD1 4.38Å; T80-S98 WeakPolarHBondContact CA-O 3.32Å; T80-S98 WeakPolarHBondContact CB-O 3.5Å; T80-F99 HydrophobicContact CG2-CD1 3.51Å; T80-F99 HydrophobicContact CG2-CD2 3.99Å; T80-F99 HydrophobicContact CG2-CE1 3.38Å; T80-F99 HydrophobicContact CG2-CE2 3.88Å; T80-F99 HydrophobicContact CG2-CG 3.8Å; T80-F99 HydrophobicContact CG2-CZ 3.57Å |
| 81 | T | 94.2 | Very high | 94.8 | Very high | 32 Ų | 32 | 54.3 Ų | 54.3 | 20% | 0.196 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 119.9 | 168.2 | -53.9 | 0 | 0 | 0 | 0 | 109.5 | S98 S103 N104 | T81-S98 WeakPolarHBondContact CB-OG 3.41Å; T81-S98 PolarHBondContact N-O 2.96Å; T81-S98 VanDerWaalsContact N-O 3.08Å; T81-S98 PolarHBondContact O-N 3.1Å; T81-S98 PolarHBondContact O-OG 3.45Å; T81-S103 WeakPolarHBondContact OG1-CB 3.36Å; T81-S103 PolarHBondContact OG1-O 3.02Å; T81-S103 PolarHBondContact OG1-OG 3.4Å; T81-N104 WeakPolarHBondContact CB-OD1 3.42Å; T81-N104 VanDerWaalsContact CG2-OD1 3.28Å; T81-N104 WeakPolarHBondContact CG2-OD1 3.47Å; T81-N104 PolarHBondContact OG1-OD1 2.83Å |
| 82 | L | 95 | Very high | 94.8 | Very high | 33 Ų | 33 | 53.2 Ų | 53.2 | 17% | 0.173 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 120.5 | 168.1 | 179.8 | 59.3 | 0 | 0 | 0 | 109.2 | F66 M69 Q70 W95 L97 | F66-L82 HydrophobicContact CD2-CD2 4.26Å; F66-L82 HydrophobicContact CE2-CD2 3.85Å; M69-L82 HydrophobicContact CB-CD1 3.98Å; M69-L82 HydrophobicContact CB-CD2 4.21Å; M69-L82 HydrophobicContact CE-CD1 3.84Å; Q70-L82 HydrophobicContact CB-CD2 3.86Å; Q70-L82 HydrophobicContact CG-CD2 4.13Å; L82-W95 HydrophobicContact CD1-CB 4.23Å; L82-W95 HydrophobicContact CD1-CD2 4.38Å; L82-W95 HydrophobicContact CD1-CE3 3.83Å; L82-W95 HydrophobicContact CG-CE3 3.91Å; L82-W95 HydrophobicContact CG-CZ3 4.29Å; L82-L97 HydrophobicContact CB-CD1 4.07Å; L82-L97 HydrophobicContact CD1-CB 4.44Å |
| 83 | Y | 94.8 | Very high | 94.9 | Very high | 53 Ų | 53 | 55.3 Ų | 55.3 | 21% | 0.208 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 164.2 | 178.3 | 69.9 | -79.9 | 0 | 0 | 0 | 111.2 | I85 V96 H157 W216 | Y83-I85 HydrophobicContact CD2-CG2 4.37Å; Y83-I85 HydrophobicContact CE2-CG2 3.73Å; Y83-V96 HydrophobicContact CD1-CB 4.37Å; Y83-V96 WeakPolarHBondContact CD1-O 3.47Å; Y83-V96 HydrophobicContact CE1-CB 3.8Å; Y83-V96 HydrophobicContact CE1-CG1 3.83Å; Y83-V96 HydrophobicContact CE2-CB 4.1Å; Y83-V96 HydrophobicContact CE2-CG2 4.47Å; Y83-V96 PolarHBondContact N-O 3.08Å; Y83-V96 PolarHBondContact O-N 2.8Å; Y83-V96 VanDerWaalsContact O-O 3.07Å; Y83-V96 WeakPolarHBondContact OH-CG1 3.25Å; Y83-H157 AromaticContact CE1-ND1 3.9Å; Y83-H157 AromaticContact CZ-ND1 3.78Å; Y83-H157 PolarHBondContact OH-CE1 3.31Å; Y83-H157 PolarHBondContact OH-ND1 2.97Å; Y83-W216 PolarHBondContact OH-NE1 2.93Å |
| 84 | T | 95.7 | Very high | 95.1 | Very high | 50 Ų | 50 | 54.2 Ų | 54.2 | 31% | 0.307 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 140 | 173.9 | 175.1 | 0 | 0 | 0 | 0 | 108.7 | G86 E93 L94 W95 | T84-G86 VanDerWaalsContact C-N 3.32Å; T84-G86 PolarHBondContact OG1-N 3.44Å; T84-G86 PolarHBondContact OG1-O 3.48Å; T84-E93 WeakPolarHBondContact CB-OE2 3.32Å; T84-E93 WeakPolarHBondContact CG2-OE2 3.47Å; T84-E93 PolarHBondContact OG1-OE2 2.68Å; T84-L94 WeakPolarHBondContact CA-O 3.33Å; T84-W95 HydrophobicContact CG2-CZ3 4.42Å |
| 85 | I | 95.8 | Very high | 95.2 | Very high | 27 Ų | 27 | 48.5 Ų | 48.5 | 14% | 0.138 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | -4.7 | 168.4 | 62.5 | 160.6 | 0 | 0 | 0 | 112.4 | Y83 L94 V96 M159 L212 I213 W216 | Y83-I85 HydrophobicContact CD2-CG2 4.37Å; Y83-I85 HydrophobicContact CE2-CG2 3.73Å; I85-L94 HydrophobicContact CD1-CB 4.26Å; I85-L94 HydrophobicContact CD1-CD1 4.25Å; I85-L94 HydrophobicContact CG1-CB 3.61Å; I85-L94 HydrophobicContact CG1-CD1 4.27Å; I85-L94 PolarHBondContact N-O 3.03Å; I85-V96 HydrophobicContact CG2-CG2 3.83Å; I85-M159 HydrophobicContact CD1-CE 3.38Å; I85-M159 HydrophobicContact CG1-CE 4.06Å; I85-L212 HydrophobicContact CD1-CB 3.9Å; I85-L212 HydrophobicContact CG1-CB 4.27Å; I85-L212 WeakPolarHBondContact O-CD2 3.26Å; I85-I213 HydrophobicContact CD1-CG1 3.89Å; I85-W216 HydrophobicContact CB-CB 4.32Å; I85-W216 HydrophobicContact CD1-CB 4.35Å; I85-W216 HydrophobicContact CD1-CE3 4.36Å; I85-W216 HydrophobicContact CG2-CB 3.84Å; I85-W216 HydrophobicContact CG2-CD2 4.03Å; I85-W216 HydrophobicContact CG2-CG 3.61Å |
| 86 | G | 97 | Very high | 95.3 | Very high | 19 Ų | 19 | 42.1 Ų | 42.1 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.8 | -155.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T84 E93 L94 | T84-G86 VanDerWaalsContact C-N 3.32Å; T84-G86 PolarHBondContact OG1-N 3.44Å; T84-G86 PolarHBondContact OG1-O 3.48Å; G86-E93 WeakPolarHBondContact O-CA 3.38Å; G86-L94 PolarHBondContact O-N 2.65Å |
| 87 | K | 97.9 | Very high | 95.4 | Very high | 101 Ų | 101 | 41.5 Ų | 41.5 | 44% | 0.439 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 146.1 | -168.7 | -67.2 | -174.7 | 178.1 | -149.4 | 0 | 115.4 | G91 R92 E93 L212 | K87-G91 WeakPolarHBondContact CD-O 3.44Å; K87-R92 CarbonylContact C-O 3.5Å; K87-R92 VanDerWaalsContact CA-O 3.22Å; K87-R92 WeakPolarHBondContact CA-O 3.37Å; K87-E93 WeakPolarHBondContact CE-OE1 3.28Å; K87-E93 WeakPolarHBondContact CE-OE2 3.32Å; K87-E93 IonicContact NZ-OE1 2.8Å; K87-E93 PolarHBondContact NZ-OE1 3.41Å; K87-L212 WeakPolarHBondContact O-CD1 3.5Å |
| 88 | S | 97.4 | Very high | 95.6 | Very high | 6 Ų | 6 | 37.3 Ų | 37.3 | 4% | 0.042 | 20% | 0.202 | C | C | . | . | trans | -67.1 | 170.5 | 164 | 74.2 | 0 | 0 | 0 | 0 | 112.4 | A90 G91 R92 D165 E209 | S88-A90 VanDerWaalsContact C-N 3.27Å; S88-A90 PolarHBondContact O-N 3.02Å; S88-A90 PolarHBondContact OG-N 2.76Å; S88-G91 WeakPolarHBondContact O-CA 3.48Å; S88-G91 PolarHBondContact O-N 3.48Å; S88-R92 PolarHBondContact N-O 3.07Å; S88-R92 WeakPolarHBondContact OG-CB 3.41Å; S88-R92 PolarHBondContact OG-N 3.34Å; S88-R92 VanDerWaalsContact OG-N 3.1Å; S88-R92 PolarHBondContact OG-O 3.45Å; S88-D165 WeakPolarHBondContact CB-OD1 3.45Å; S88-D165 WeakPolarHBondContact CB-OD2 3.36Å; S88-D165 PolarHBondContact OG-OD1 2.68Å; S88-D165 PolarHBondContact OG-OD2 2.92Å; S88-E209 WeakPolarHBondContact CA-OE1 3.47Å; S88-E209 VanDerWaalsContact CB-OE1 3.23Å; S88-E209 WeakPolarHBondContact CB-OE1 3.45Å | ||
| 89 | V | 96.1 | Very high | 96 | Very high | 38 Ų | 38 | 29.4 Ų | 29.4 | 23% | 0.23 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -41.6 | 173.3 | 175.7 | 0 | 0 | 0 | 0 | 112.4 | G91 D165 N183 L184 H185 P208 E209 | V89-G91 PolarHBondContact O-N 3.38Å; V89-D165 PolarHBondContact N-OD2 3.29Å; V89-N183 WeakPolarHBondContact CG2-ND2 3.4Å; V89-L184 HydrophobicContact CB-CB 3.99Å; V89-L184 HydrophobicContact CG1-CB 3.88Å; V89-L184 HydrophobicContact CG1-CD2 4.07Å; V89-L184 HydrophobicContact CG1-CG 4.16Å; V89-H185 VanDerWaalsContact CG1-CE1 3.47Å; V89-H185 WeakPolarHBondContact CG1-CE1 3.48Å; V89-H185 WeakPolarHBondContact CG1-NE2 3.33Å; V89-H185 WeakPolarHBondContact CG2-ND1 3.41Å; V89-P208 HydrophobicContact CG2-CG 3.86Å; V89-E209 PolarHBondContact N-OE1 3.38Å |
| 90 | A | 95.1 | Very high | 95.9 | Very high | 49 Ų | 49 | 29.2 Ų | 29.2 | 41% | 0.405 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -0 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S88 D165 L184 | S88-A90 VanDerWaalsContact C-N 3.27Å; S88-A90 PolarHBondContact O-N 3.02Å; S88-A90 PolarHBondContact OG-N 2.76Å; A90-D165 VanDerWaalsContact CB-CG 3.48Å; A90-D165 WeakPolarHBondContact CB-OD1 3.2Å; A90-D165 WeakPolarHBondContact CB-OD2 3.28Å; A90-D165 PolarHBondContact N-OD2 2.93Å; A90-L184 HydrophobicContact CB-CD2 3.81Å |
| 91 | G | 95.7 | Very high | 95.3 | Very high | 36 Ų | 36 | 35.3 Ų | 35.3 | 37% | 0.371 | 19% | 0.189 | S | C | . | . | S | Bend | trans | 82.4 | 13.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | K87 S88 V89 | K87-G91 WeakPolarHBondContact CD-O 3.44Å; S88-G91 WeakPolarHBondContact O-CA 3.48Å; S88-G91 PolarHBondContact O-N 3.48Å; V89-G91 PolarHBondContact O-N 3.38Å |
| 92 | R | 96.7 | Very high | 94.5 | Very high | 67 Ų | 67 | 36.4 Ų | 36.4 | 25% | 0.253 | 20% | 0.196 | S | C | . | . | trans | -74.7 | 141.1 | 173.3 | -61.8 | -176.5 | 176.9 | 94 | -5.5 | 109.8 | Y62 K87 S88 P164 D165 | Y62-R92 HydrophobicContact CD1-CG 4.41Å; Y62-R92 HydrophobicContact CD2-CB 4.05Å; Y62-R92 HydrophobicContact CD2-CG 4.29Å; Y62-R92 HydrophobicContact CE1-CB 4.45Å; Y62-R92 HydrophobicContact CE1-CG 4.4Å; Y62-R92 HydrophobicContact CE2-CB 3.67Å; Y62-R92 HydrophobicContact CE2-CG 4.27Å; Y62-R92 HydrophobicContact CG-CG 4.37Å; K87-R92 CarbonylContact C-O 3.5Å; K87-R92 VanDerWaalsContact CA-O 3.22Å; K87-R92 WeakPolarHBondContact CA-O 3.37Å; S88-R92 PolarHBondContact N-O 3.07Å; S88-R92 WeakPolarHBondContact OG-CB 3.41Å; S88-R92 PolarHBondContact OG-N 3.34Å; S88-R92 VanDerWaalsContact OG-N 3.1Å; S88-R92 PolarHBondContact OG-O 3.45Å; R92-P164 HydrophobicContact CB-CG 4.14Å; R92-D165 WeakPolarHBondContact CD-OD1 3.46Å; R92-D165 IonicContact CZ-OD1 3.65Å; R92-D165 IonicContact NE-OD1 3.04Å; R92-D165 IonicContact NH1-OD1 3.91Å; R92-D165 PolarHBondContact NH1-OD1 2.87Å | ||
| 93 | E | 97.4 | Very high | 93.1 | Very high | 44 Ų | 44 | 35.5 Ų | 35.5 | 21% | 0.206 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 135.7 | -179.5 | -59.7 | -76.9 | 178.3 | 0 | 0 | 110.6 | Y62 T84 G86 K87 W95 | Y62-E93 PolarHBondContact OH-N 2.74Å; T84-E93 WeakPolarHBondContact CB-OE2 3.32Å; T84-E93 WeakPolarHBondContact CG2-OE2 3.47Å; T84-E93 PolarHBondContact OG1-OE2 2.68Å; G86-E93 WeakPolarHBondContact O-CA 3.38Å; K87-E93 WeakPolarHBondContact CE-OE1 3.28Å; K87-E93 WeakPolarHBondContact CE-OE2 3.32Å; K87-E93 IonicContact NZ-OE1 2.8Å; K87-E93 PolarHBondContact NZ-OE1 3.41Å; E93-W95 HydrophobicContact CB-CD2 4.2Å; E93-W95 VanDerWaalsContact CB-CE2 3.47Å; E93-W95 HydrophobicContact CB-CH2 4.47Å; E93-W95 HydrophobicContact CB-CZ2 3.63Å; E93-W95 HydrophobicContact CG-CH2 4.46Å; E93-W95 HydrophobicContact CG-CZ2 3.73Å; E93-W95 PolarHBondContact O-N 3.23Å |
| 94 | L | 97.5 | Very high | 92 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 85.6 | 176.7 | -61.8 | -178.7 | 0 | 0 | 0 | 109.2 | T84 I85 G86 P164 E209 L212 | T84-L94 WeakPolarHBondContact CA-O 3.33Å; I85-L94 HydrophobicContact CD1-CB 4.26Å; I85-L94 HydrophobicContact CD1-CD1 4.25Å; I85-L94 HydrophobicContact CG1-CB 3.61Å; I85-L94 HydrophobicContact CG1-CD1 4.27Å; I85-L94 PolarHBondContact N-O 3.03Å; G86-L94 PolarHBondContact O-N 2.65Å; L94-P164 HydrophobicContact CD2-CG 3.87Å; L94-E209 HydrophobicContact CD1-CB 4.2Å; L94-E209 HydrophobicContact CD1-CG 4.21Å; L94-E209 HydrophobicContact CD2-CG 4.49Å; L94-L212 HydrophobicContact CD1-CB 4.46Å; L94-L212 HydrophobicContact CD1-CD1 3.96Å |
| 95 | W | 97.5 | Very high | 91.1 | Very high | 46 Ų | 46 | 42.7 Ų | 42.7 | 17% | 0.174 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 133.1 | -175 | -65.5 | 107.4 | 0 | 0 | 0 | 113.3 | Y62 F66 M69 L82 T84 E93 | Y62-W95 PolarHBondContact OH-NE1 3Å; F66-W95 AromaticContact CD2-CD1 3.74Å; F66-W95 AromaticContact CD2-CD2 3.59Å; F66-W95 HydrophobicContact CD2-CD2 3.59Å; F66-W95 AromaticContact CD2-CE2 3.23Å; F66-W95 HydrophobicContact CD2-CE3 4.25Å; F66-W95 AromaticContact CD2-CG 3.93Å; F66-W95 HydrophobicContact CD2-CG 3.93Å; F66-W95 HydrophobicContact CD2-CH2 4.35Å; F66-W95 AromaticContact CD2-CZ2 3.67Å; F66-W95 HydrophobicContact CD2-CZ2 3.67Å; F66-W95 AromaticContact CD2-NE1 3.27Å; F66-W95 VanDerWaalsContact CD2-NE1 3.27Å; F66-W95 AromaticContact CE2-CD2 3.74Å; F66-W95 HydrophobicContact CE2-CD2 3.74Å; F66-W95 AromaticContact CE2-CE2 3.33Å; F66-W95 AromaticContact CE2-CE3 3.97Å; F66-W95 HydrophobicContact CE2-CE3 3.97Å; F66-W95 AromaticContact CE2-CH2 3.57Å; F66-W95 HydrophobicContact CE2-CH2 3.57Å; F66-W95 AromaticContact CE2-CZ2 3.25Å; F66-W95 HydrophobicContact CE2-CZ2 3.25Å; F66-W95 AromaticContact CE2-CZ3 3.9Å; F66-W95 HydrophobicContact CE2-CZ3 3.9Å; F66-W95 AromaticContact CE2-NE1 3.87Å; F66-W95 HydrophobicContact CG-CZ2 4.47Å; F66-W95 AromaticContact CG-NE1 3.72Å; F66-W95 HydrophobicContact CZ-CH2 4.06Å; F66-W95 AromaticContact CZ-CZ2 3.76Å; F66-W95 HydrophobicContact CZ-CZ2 3.76Å; M69-W95 HydrophobicContact CE-CB 3.77Å; M69-W95 HydrophobicContact SD-CB 3.8Å; L82-W95 HydrophobicContact CD1-CB 4.23Å; L82-W95 HydrophobicContact CD1-CD2 4.38Å; L82-W95 HydrophobicContact CD1-CE3 3.83Å; L82-W95 HydrophobicContact CG-CE3 3.91Å; L82-W95 HydrophobicContact CG-CZ3 4.29Å; T84-W95 HydrophobicContact CG2-CZ3 4.42Å; E93-W95 HydrophobicContact CB-CD2 4.2Å; E93-W95 VanDerWaalsContact CB-CE2 3.47Å; E93-W95 HydrophobicContact CB-CH2 4.47Å; E93-W95 HydrophobicContact CB-CZ2 3.63Å; E93-W95 HydrophobicContact CG-CH2 4.46Å; E93-W95 HydrophobicContact CG-CZ2 3.73Å; E93-W95 PolarHBondContact O-N 3.23Å |
| 96 | V | 96.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 133.7 | 170.1 | -172.5 | 0 | 0 | 0 | 0 | 108.6 | Y83 I85 H157 L158 M159 W216 | Y83-V96 HydrophobicContact CD1-CB 4.37Å; Y83-V96 WeakPolarHBondContact CD1-O 3.47Å; Y83-V96 HydrophobicContact CE1-CB 3.8Å; Y83-V96 HydrophobicContact CE1-CG1 3.83Å; Y83-V96 HydrophobicContact CE2-CB 4.1Å; Y83-V96 HydrophobicContact CE2-CG2 4.47Å; Y83-V96 PolarHBondContact N-O 3.08Å; Y83-V96 PolarHBondContact O-N 2.8Å; Y83-V96 VanDerWaalsContact O-O 3.07Å; Y83-V96 WeakPolarHBondContact OH-CG1 3.25Å; I85-V96 HydrophobicContact CG2-CG2 3.83Å; V96-H157 HydrophobicContact CG1-CB 3.98Å; V96-L158 WeakPolarHBondContact CA-O 3.31Å; V96-M159 HydrophobicContact CG2-CB 4.1Å; V96-M159 HydrophobicContact CG2-CE 3.52Å; V96-M159 HydrophobicContact CG2-CG 4.26Å; V96-W216 HydrophobicContact CG1-CH2 4.42Å; V96-W216 HydrophobicContact CG1-CZ2 3.98Å; V96-W216 HydrophobicContact CG2-CZ2 4.45Å |
| 97 | L | 95.8 | Very high | 90.2 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 107.4 | 172.6 | -178.6 | 62.7 | 0 | 0 | 0 | 108.1 | M69 V72 T80 L82 F99 A134 L158 | M69-L97 HydrophobicContact CE-CB 3.83Å; V72-L97 HydrophobicContact CB-CD2 3.96Å; V72-L97 HydrophobicContact CG1-CD2 3.75Å; T80-L97 HydrophobicContact CG2-CD1 4.38Å; L82-L97 HydrophobicContact CB-CD1 4.07Å; L82-L97 HydrophobicContact CD1-CB 4.44Å; L97-F99 HydrophobicContact CD2-CE2 3.72Å; L97-F99 HydrophobicContact CD2-CZ 4.28Å; L97-F99 HydrophobicContact CG-CD2 4.32Å; L97-F99 HydrophobicContact CG-CE2 3.82Å; L97-A134 HydrophobicContact CD2-CB 3.89Å; L97-L158 PolarHBondContact N-O 3.24Å; L97-L158 WeakPolarHBondContact O-CB 3.37Å; L97-L158 PolarHBondContact O-N 3.15Å |
| 98 | S | 95.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 149.1 | 170.8 | 63.6 | 0 | 0 | 0 | 0 | 110.8 | T80 T81 S103 I156 | T80-S98 WeakPolarHBondContact CA-O 3.32Å; T80-S98 WeakPolarHBondContact CB-O 3.5Å; T81-S98 WeakPolarHBondContact CB-OG 3.41Å; T81-S98 PolarHBondContact N-O 2.96Å; T81-S98 VanDerWaalsContact N-O 3.08Å; T81-S98 PolarHBondContact O-N 3.1Å; T81-S98 PolarHBondContact O-OG 3.45Å; S98-S103 PolarHBondContact OG-O 2.55Å; S98-I156 CarbonylContact C-O 3.43Å; S98-I156 VanDerWaalsContact CA-O 3.27Å; S98-I156 WeakPolarHBondContact CA-O 3.36Å |
| 99 | F | 95.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 137.1 | 169.6 | -80.8 | -103.6 | 0 | 0 | 0 | 108.7 | V72 I79 T80 L97 A134 L137 C138 V151 Q155 I156 L158 | V72-F99 HydrophobicContact CG1-CZ 3.82Å; I79-F99 HydrophobicContact CD1-CD1 4.21Å; I79-F99 HydrophobicContact CD1-CE1 4.4Å; I79-F99 CarbonylContact O-C 3.54Å; I79-F99 WeakPolarHBondContact O-CA 3.28Å; T80-F99 HydrophobicContact CG2-CD1 3.51Å; T80-F99 HydrophobicContact CG2-CD2 3.99Å; T80-F99 HydrophobicContact CG2-CE1 3.38Å; T80-F99 HydrophobicContact CG2-CE2 3.88Å; T80-F99 HydrophobicContact CG2-CG 3.8Å; T80-F99 HydrophobicContact CG2-CZ 3.57Å; L97-F99 HydrophobicContact CD2-CE2 3.72Å; L97-F99 HydrophobicContact CD2-CZ 4.28Å; L97-F99 HydrophobicContact CG-CD2 4.32Å; L97-F99 HydrophobicContact CG-CE2 3.82Å; F99-A134 HydrophobicContact CE2-CB 3.96Å; F99-A134 HydrophobicContact CZ-CB 4.19Å; F99-A134 VanDerWaalsContact CZ-O 3.25Å; F99-A134 WeakPolarHBondContact CZ-O 3.38Å; F99-L137 HydrophobicContact CD1-CB 3.98Å; F99-L137 HydrophobicContact CD1-CD1 4.49Å; F99-L137 HydrophobicContact CD2-CD1 4.43Å; F99-L137 HydrophobicContact CE1-CB 3.69Å; F99-L137 HydrophobicContact CG-CD1 4.35Å; F99-L137 HydrophobicContact CZ-CB 4.11Å; F99-C138 HydrophobicContact CE1-CB 4Å; F99-C138 HydrophobicContact CZ-CB 4.16Å; F99-V151 HydrophobicContact CB-CG1 4.46Å; F99-V151 HydrophobicContact CD1-CG2 4.46Å; F99-Q155 CarbonylContact O-C 3.42Å; F99-Q155 WeakPolarHBondContact O-CA 3.25Å; F99-I156 HydrophobicContact CB-CB 4.15Å; F99-I156 PolarHBondContact N-O 2.92Å; F99-I156 PolarHBondContact O-N 2.92Å; F99-L158 HydrophobicContact CD2-CD1 4.11Å; F99-L158 HydrophobicContact CE2-CD1 3.95Å |
| 100 | G | 91.4 | Very high | 89.1 | Confident | 3 Ų | 3 | 39.8 Ų | 39.8 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | S | Bend | trans | 166 | 153.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I79 V102 S103 V151 | I79-G100 CarbonylContact C-O 3.04Å; I79-G100 WeakPolarHBondContact CA-O 3.24Å; I79-G100 PolarHBondContact O-N 3.18Å; G100-V102 PolarHBondContact O-N 3.06Å; G100-V102 VanDerWaalsContact O-N 3.07Å; G100-S103 PolarHBondContact O-N 3.26Å; G100-V151 CarbonylContact C-O 3.59Å; G100-V151 WeakPolarHBondContact CA-O 3.14Å |
| 101 | K | 82.2 | Confident | 89 | Confident | 135 Ų | 135 | 37.6 Ų | 37.6 | 59% | 0.587 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -26.4 | 177.2 | -173.4 | 175.1 | 178.8 | -177 | 0 | 114.2 | V151 | K101-V151 PolarHBondContact N-O 3.21Å; K101-V151 VanDerWaalsContact N-O 3.15Å |
| 102 | V | 77.1 | Confident | 89 | Confident | 56 Ų | 56 | 35.9 Ų | 35.9 | 34% | 0.339 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -138.1 | 81 | 167.9 | -174.6 | 0 | 0 | 0 | 0 | 108 | G100 N104 Y105 V107 | G100-V102 PolarHBondContact O-N 3.06Å; G100-V102 VanDerWaalsContact O-N 3.07Å; V102-N104 PolarHBondContact O-N 3.1Å; V102-Y105 HydrophobicContact CG1-CD1 4.21Å; V102-Y105 HydrophobicContact CG1-CE1 3.64Å; V102-Y105 HydrophobicContact CG1-CE2 4.02Å; V102-V107 HydrophobicContact CB-CG2 3.89Å; V102-V107 HydrophobicContact CG1-CG2 4.5Å; V102-V107 HydrophobicContact CG2-CG2 4.47Å |
| 103 | S | 66.8 | Low | 89 | Confident | 14 Ų | 14 | 32.9 Ų | 32.9 | 10% | 0.098 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 7.5 | -168 | 52.6 | 0 | 0 | 0 | 0 | 116.6 | T81 S98 G100 | T81-S103 WeakPolarHBondContact OG1-CB 3.36Å; T81-S103 PolarHBondContact OG1-O 3.02Å; T81-S103 PolarHBondContact OG1-OG 3.4Å; S98-S103 PolarHBondContact OG-O 2.55Å; G100-S103 PolarHBondContact O-N 3.26Å |
| 104 | N | 72.3 | Confident | 89 | Confident | 117 Ų | 117 | 30.9 Ų | 30.9 | 63% | 0.626 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | -17.8 | -169.4 | -74.9 | -25.5 | 0 | 0 | 0 | 115.4 | T81 V102 | T81-N104 WeakPolarHBondContact CB-OD1 3.42Å; T81-N104 VanDerWaalsContact CG2-OD1 3.28Å; T81-N104 WeakPolarHBondContact CG2-OD1 3.47Å; T81-N104 PolarHBondContact OG1-OD1 2.83Å; V102-N104 PolarHBondContact O-N 3.1Å |
| 105 | Y | 76.6 | Confident | 89 | Confident | 136 Ų | 136 | 31 Ų | 31 | 53% | 0.533 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -162 | 153 | -178.4 | 55.8 | -96.8 | 0 | 0 | 0 | 110.6 | V102 V107 | V102-Y105 HydrophobicContact CG1-CD1 4.21Å; V102-Y105 HydrophobicContact CG1-CE1 3.64Å; V102-Y105 HydrophobicContact CG1-CE2 4.02Å; Y105-V107 PolarHBondContact O-N 3.09Å |
| 106 | H | 84.4 | Confident | 89.1 | Confident | 32 Ų | 32 | 28.8 Ų | 28.8 | 15% | 0.148 | 15% | 0.147 | C | C | . | . | P | Polyproline II helix | trans | -53.9 | 126.4 | 178.8 | -177.1 | 85.5 | 0 | 0 | 0 | 112.6 | E112 D386 W388 | H106-E112 IonicContact CE1-OE1 2.72Å; H106-E112 IonicContact CG-OE1 3.74Å; H106-E112 IonicContact ND1-OE1 2.75Å; H106-E112 PolarHBondContact ND1-OE1 3.14Å; H106-D386 IonicContact NE2-OD2 3.86Å; H106-W388 AromaticContact CE1-CH2 3.52Å; H106-W388 AromaticContact CE1-CZ3 3.98Å; H106-W388 AromaticContact NE2-CH2 3.74Å |
| 107 | V | 87.8 | Confident | 89.1 | Confident | 31 Ų | 31 | 28.8 Ų | 28.8 | 19% | 0.188 | 15% | 0.147 | C | C | . | . | P | Polyproline II helix | trans | -103.3 | 121.4 | 178.4 | -179.8 | 0 | 0 | 0 | 0 | 110 | V102 Y105 G109 V110 | V102-V107 HydrophobicContact CB-CG2 3.89Å; V102-V107 HydrophobicContact CG1-CG2 4.5Å; V102-V107 HydrophobicContact CG2-CG2 4.47Å; Y105-V107 PolarHBondContact O-N 3.09Å; V107-G109 PolarHBondContact O-N 3.1Å; V107-V110 HydrophobicContact CB-CB 4.08Å; V107-V110 HydrophobicContact CB-CG2 3.99Å; V107-V110 HydrophobicContact CG1-CB 4.43Å; V107-V110 HydrophobicContact CG1-CG2 3.82Å; V107-V110 WeakPolarHBondContact O-CB 3.47Å; V107-V110 PolarHBondContact O-N 3.45Å |
| 108 | P | 88.1 | Confident | 89.1 | Confident | 39 Ų | 39 | 28.7 Ų | 28.7 | 25% | 0.253 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 130.2 | -177.8 | -26.8 | 34.3 | 0 | 0 | 0 | 113.2 | V110 F354 Y384 D386 | P108-V110 VanDerWaalsContact C-N 3.31Å; P108-V110 PolarHBondContact O-N 3.37Å; P108-F354 HydrophobicContact CB-CE1 4.32Å; P108-F354 HydrophobicContact CB-CZ 4.36Å; P108-Y384 HydrophobicContact CB-CG 4.24Å; P108-Y384 HydrophobicContact CG-CD1 3.74Å; P108-Y384 HydrophobicContact CG-CD2 3.7Å; P108-Y384 HydrophobicContact CG-CE1 3.9Å; P108-Y384 HydrophobicContact CG-CE2 3.85Å; P108-Y384 HydrophobicContact CG-CG 3.62Å; P108-D386 VanDerWaalsContact CA-OD2 3.31Å; P108-D386 WeakPolarHBondContact CA-OD2 3.44Å |
| 109 | G | 88.7 | Confident | 89.2 | Confident | 9 Ų | 9 | 28.8 Ų | 28.8 | 9% | 0.093 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81 | -2.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y24 V107 R352 D386 | Y24-G109 VanDerWaalsContact CE2-O 3.24Å; Y24-G109 WeakPolarHBondContact CE2-O 3.43Å; V107-G109 PolarHBondContact O-N 3.1Å; G109-R352 PolarHBondContact O-NH1 3.01Å; G109-D386 PolarHBondContact N-OD2 3.42Å |
| 110 | V | 91.8 | Very high | 89.3 | Confident | 19 Ų | 19 | 29 Ų | 29 | 12% | 0.115 | 15% | 0.148 | C | C | . | . | P | Polyproline II helix | trans | -101.2 | 119.2 | 173.6 | 176.9 | 0 | 0 | 0 | 0 | 110.1 | Y24 V107 P108 Q155 W388 | Y24-V110 HydrophobicContact CE2-CG2 4.27Å; V107-V110 HydrophobicContact CB-CB 4.08Å; V107-V110 HydrophobicContact CB-CG2 3.99Å; V107-V110 HydrophobicContact CG1-CB 4.43Å; V107-V110 HydrophobicContact CG1-CG2 3.82Å; V107-V110 WeakPolarHBondContact O-CB 3.47Å; V107-V110 PolarHBondContact O-N 3.45Å; P108-V110 VanDerWaalsContact C-N 3.31Å; P108-V110 PolarHBondContact O-N 3.37Å; V110-Q155 HydrophobicContact CG1-CB 4.35Å; V110-W388 WeakPolarHBondContact O-CZ2 3.15Å |
| 111 | P | 94.3 | Very high | 89.5 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.019 | 15% | 0.146 | C | C | . | . | P | Polyproline II helix | trans | -74.1 | 149.6 | 177.4 | 29.9 | -34.5 | 0 | 0 | 0 | 112.8 | Y153 Q155 V223 V347 W388 | P111-Y153 WeakPolarHBondContact CD-O 3.2Å; P111-Q155 PolarHBondContact O-N 3.03Å; P111-V223 HydrophobicContact CB-CG2 4Å; P111-V347 HydrophobicContact CB-CG2 3.6Å; P111-V347 HydrophobicContact CG-CG1 4.16Å; P111-V347 HydrophobicContact CG-CG2 3.91Å; P111-W388 HydrophobicContact CB-CD2 4.1Å; P111-W388 HydrophobicContact CB-CG 4.08Å |
| 112 | E | 94.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 141 | 175.4 | -50 | -173.8 | -109.1 | 0 | 0 | 111.1 | H106 Q155 H220 S221 F222 V223 | H106-E112 IonicContact CE1-OE1 2.72Å; H106-E112 IonicContact CG-OE1 3.74Å; H106-E112 IonicContact ND1-OE1 2.75Å; H106-E112 PolarHBondContact ND1-OE1 3.14Å; E112-Q155 CarbonylContact C-O 3.59Å; E112-Q155 VanDerWaalsContact CA-O 3.31Å; E112-Q155 WeakPolarHBondContact CA-O 3.22Å; E112-Q155 HydrophobicContact CB-CB 4.5Å; E112-Q155 HydrophobicContact CG-CB 4.13Å; E112-Q155 PolarHBondContact OE2-NE2 3.16Å; E112-H220 IonicContact OE2-CE1 3.89Å; E112-H220 IonicContact OE2-CG 3.39Å; E112-H220 IonicContact OE2-ND1 3.51Å; E112-H220 PolarHBondContact OE2-ND1 2.92Å; E112-S221 PolarHBondContact OE1-N 3.28Å; E112-F222 HydrophobicContact CB-CD1 3.82Å; E112-F222 HydrophobicContact CB-CE1 4.17Å; E112-F222 WeakPolarHBondContact O-CA 3.23Å; E112-V223 PolarHBondContact O-N 3.44Å |
| 113 | V | 97.1 | Very high | 91.1 | Very high | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.018 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 155.8 | 178.4 | -55.7 | 0 | 0 | 0 | 0 | 111.2 | T154 Q155 I156 H157 L224 L344 V347 | V113-T154 HydrophobicContact CB-CG2 4.44Å; V113-T154 HydrophobicContact CG1-CG2 3.89Å; V113-T154 HydrophobicContact CG2-CG2 3.7Å; V113-Q155 PolarHBondContact N-O 3.39Å; V113-I156 HydrophobicContact CG2-CB 4.1Å; V113-I156 HydrophobicContact CG2-CG1 3.77Å; V113-I156 HydrophobicContact CG2-CG2 4.25Å; V113-I156 CarbonylContact O-C 3.48Å; V113-H157 PolarHBondContact O-N 3.24Å; V113-L224 VanDerWaalsContact CA-O 3.29Å; V113-L224 WeakPolarHBondContact CA-O 3.38Å; V113-L224 HydrophobicContact CB-CB 4.44Å; V113-L224 HydrophobicContact CG1-CB 3.91Å; V113-L344 HydrophobicContact CG2-CD1 3.89Å; V113-L344 HydrophobicContact CG2-CD2 4.45Å; V113-L344 HydrophobicContact CG2-CG 3.93Å; V113-V347 HydrophobicContact CG1-CB 3.82Å; V113-V347 HydrophobicContact CG1-CG1 3.89Å; V113-V347 HydrophobicContact CG1-CG2 3.72Å |
| 114 | K | 97.2 | Very high | 92.5 | Very high | 3 Ų | 3 | 19.4 Ų | 19.4 | 1% | 0.013 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 153.2 | 178.3 | 73.3 | -167.4 | -179.6 | -160.8 | 0 | 114.9 | H157 W216 S217 F222 L224 S225 G226 N305 | K114-H157 CarbonylContact C-O 3.29Å; K114-H157 VanDerWaalsContact CA-O 3.23Å; K114-H157 WeakPolarHBondContact CA-O 3.21Å; K114-H157 HydrophobicContact CB-CB 4.23Å; K114-W216 HydrophobicContact CB-CH2 3.94Å; K114-W216 HydrophobicContact CB-CZ2 4.34Å; K114-W216 HydrophobicContact CD-CH2 3.87Å; K114-W216 HydrophobicContact CD-CZ2 4.47Å; K114-W216 HydrophobicContact CD-CZ3 4.08Å; K114-W216 HydrophobicContact CG-CH2 4.4Å; K114-S217 PolarHBondContact NZ-OG 3.1Å; K114-F222 HydrophobicContact CB-CD1 4.06Å; K114-F222 HydrophobicContact CB-CE1 3.87Å; K114-F222 HydrophobicContact CB-CZ 4.21Å; K114-F222 HydrophobicContact CD-CD1 4.3Å; K114-F222 HydrophobicContact CD-CD2 3.79Å; K114-F222 HydrophobicContact CD-CE1 4.45Å; K114-F222 HydrophobicContact CD-CE2 3.91Å; K114-F222 HydrophobicContact CD-CG 4Å; K114-F222 HydrophobicContact CD-CZ 4.27Å; K114-F222 HydrophobicContact CG-CD1 4.41Å; K114-F222 HydrophobicContact CG-CG 4.49Å; K114-L224 PolarHBondContact N-O 3.04Å; K114-S225 WeakPolarHBondContact CE-OG 3.44Å; K114-S225 WeakPolarHBondContact CG-OG 3.5Å; K114-S225 VanDerWaalsContact O-CA 3.29Å; K114-S225 WeakPolarHBondContact O-CA 3.32Å; K114-G226 PolarHBondContact O-N 3.27Å; K114-N305 WeakPolarHBondContact CE-ND2 3.42Å; K114-N305 VanDerWaalsContact NZ-CG 3.31Å; K114-N305 PolarHBondContact NZ-ND2 2.87Å; K114-N305 VanDerWaalsContact NZ-ND2 3.11Å; K114-N305 PolarHBondContact NZ-OD1 3.17Å |
| 115 | F | 98.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 0% | 0.004 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 133.4 | 160.2 | -77.9 | -65.5 | 0 | 0 | 0 | 109.5 | I130 L133 H157 L158 M159 G226 L228 L316 L340 F343 L344 | F115-I130 HydrophobicContact CB-CD1 4.08Å; F115-I130 HydrophobicContact CB-CG1 4.23Å; F115-L133 HydrophobicContact CD2-CD2 3.67Å; F115-L133 HydrophobicContact CE2-CD2 3.67Å; F115-H157 PolarHBondContact N-O 2.75Å; F115-L158 HydrophobicContact CB-CD2 3.98Å; F115-L158 HydrophobicContact CD2-CD2 3.84Å; F115-L158 HydrophobicContact CG-CD2 4.42Å; F115-M159 PolarHBondContact O-N 3.39Å; F115-G226 WeakPolarHBondContact CA-O 3.3Å; F115-L228 HydrophobicContact CD1-CD1 3.74Å; F115-L228 HydrophobicContact CE1-CD1 4.37Å; F115-L316 HydrophobicContact CE1-CD1 4.46Å; F115-L340 HydrophobicContact CD1-CD2 4.21Å; F115-L340 HydrophobicContact CE1-CD2 3.67Å; F115-L340 HydrophobicContact CE2-CB 4.49Å; F115-L340 HydrophobicContact CE2-CD2 4.16Å; F115-L340 HydrophobicContact CZ-CB 4.26Å; F115-L340 HydrophobicContact CZ-CD2 3.63Å; F115-F343 AromaticContact CE1-CD1 3.84Å; F115-F343 HydrophobicContact CE1-CD1 3.84Å; F115-F343 HydrophobicContact CE1-CE1 4.07Å; F115-F343 AromaticContact CZ-CD1 3.74Å; F115-F343 HydrophobicContact CZ-CD1 3.74Å; F115-F343 HydrophobicContact CZ-CE1 4.32Å; F115-L344 HydrophobicContact CD2-CD1 4.15Å; F115-L344 HydrophobicContact CE2-CB 4.17Å; F115-L344 HydrophobicContact CE2-CD1 3.67Å; F115-L344 HydrophobicContact CZ-CB 4.44Å |
| 116 | V | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 132.6 | 175.5 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | M119 M159 A162 W216 G226 N227 L228 M301 | V116-M119 HydrophobicContact CG1-CE 4.33Å; V116-M159 WeakPolarHBondContact CA-O 3.18Å; V116-M159 HydrophobicContact CG1-SD 3.98Å; V116-M159 HydrophobicContact CG2-CB 4.4Å; V116-M159 HydrophobicContact CG2-SD 4.4Å; V116-A162 HydrophobicContact CG1-CB 3.93Å; V116-W216 HydrophobicContact CG2-CH2 4.45Å; V116-W216 HydrophobicContact CG2-CZ3 4.11Å; V116-G226 PolarHBondContact N-O 3.04Å; V116-N227 CarbonylContact O-C 3.56Å; V116-N227 WeakPolarHBondContact O-CA 2.93Å; V116-L228 PolarHBondContact O-N 2.78Å; V116-M301 HydrophobicContact CB-CE 3.82Å; V116-M301 HydrophobicContact CG1-CE 4.03Å; V116-M301 HydrophobicContact CG2-CE 3.9Å |
| 117 | G | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 4% | 0.037 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 162.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | M119 I130 M159 S161 A162 | G117-M119 VanDerWaalsContact C-N 3.31Å; G117-M119 PolarHBondContact O-N 3.47Å; G117-I130 VanDerWaalsContact N-CD1 3.28Å; G117-M159 PolarHBondContact N-O 2.96Å; G117-S161 WeakPolarHBondContact O-CA 3.26Å; G117-A162 PolarHBondContact O-N 3.17Å; G117-A162 VanDerWaalsContact O-N 3.08Å |
| 118 | N | 96.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 4.4 Ų | 4.4 | 1% | 0.005 | 3% | 0.028 | C | C | . | . | trans | 56 | 46.2 | 165 | -177.3 | -120.1 | 0 | 0 | 0 | 111.9 | H120 G121 E123 R127 S161 A162 N163 L228 | N118-H120 CarbonylContact C-O 3.58Å; N118-H120 PolarHBondContact ND2-O 3.28Å; N118-H120 VanDerWaalsContact ND2-O 3.14Å; N118-G121 PolarHBondContact ND2-O 2.94Å; N118-E123 PolarHBondContact ND2-O 3.15Å; N118-R127 HydrophobicContact CB-CB 4.02Å; N118-S161 WeakPolarHBondContact OD1-CB 3.42Å; N118-S161 PolarHBondContact OD1-OG 3.47Å; N118-A162 PolarHBondContact O-N 2.88Å; N118-N163 WeakPolarHBondContact O-CB 3.38Å; N118-N163 PolarHBondContact O-N 3.13Å; N118-L228 PolarHBondContact N-O 3.44Å | ||
| 119 | M | 96.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 2.6 Ų | 2.6 | 1% | 0.005 | 2% | 0.016 | C | C | . | . | S | Bend | trans | -80.3 | -28.1 | 168.7 | 59.1 | 163 | 49.6 | 0 | 0 | 112.3 | V116 G117 A162 N163 N190 N227 H229 M301 | V116-M119 HydrophobicContact CG1-CE 4.33Å; G117-M119 VanDerWaalsContact C-N 3.31Å; G117-M119 PolarHBondContact O-N 3.47Å; M119-A162 HydrophobicContact CB-CB 3.8Å; M119-N163 WeakPolarHBondContact O-CB 3.13Å; M119-N163 PolarHBondContact O-ND2 2.81Å; M119-N190 HydrophobicContact SD-CB 3.62Å; M119-N190 VanDerWaalsContact SD-CG 3.51Å; M119-N227 WeakPolarHBondContact CE-ND2 3.5Å; M119-N227 VanDerWaalsContact CE-OD1 3.3Å; M119-N227 WeakPolarHBondContact CE-OD1 3.4Å; M119-N227 PolarHBondContact SD-ND2 3.4Å; M119-N227 VanDerWaalsContact SD-ND2 3.43Å; M119-N227 PolarHBondContact SD-OD1 3.43Å; M119-H229 VanDerWaalsContact CG-CE1 3.43Å; M119-H229 WeakPolarHBondContact CG-CE1 3.34Å; M119-H229 PolarHBondContact SD-CE1 2.93Å; M119-H229 PolarHBondContact SD-NE2 3.23Å; M119-H229 VanDerWaalsContact SD-NE2 3.44Å; M119-M301 HydrophobicContact CE-CB 3.84Å; M119-M301 HydrophobicContact CE-CE 3.4Å; M119-M301 VanDerWaalsContact CE-CE 3.4Å; M119-M301 HydrophobicContact CE-CG 4.28Å; M119-M301 HydrophobicContact CE-SD 3.5Å; M119-M301 VanDerWaalsContact CE-SD 3.5Å |
| 120 | H | 97.4 | Very high | 96.4 | Very high | 5 Ų | 5 | 2.1 Ų | 2.1 | 2% | 0.023 | 1% | 0.012 | C | C | . | . | S | Bend | trans | -86.6 | 121.1 | 151.2 | -49.5 | 133.7 | 0 | 0 | 0 | 107.2 | N118 N122 E123 R181 D188 N190 H229 | N118-H120 CarbonylContact C-O 3.58Å; N118-H120 PolarHBondContact ND2-O 3.28Å; N118-H120 VanDerWaalsContact ND2-O 3.14Å; H120-N122 VanDerWaalsContact C-N 3.33Å; H120-N122 PolarHBondContact O-N 2.8Å; H120-E123 HydrophobicContact CB-CB 4.11Å; H120-E123 VanDerWaalsContact CB-CD 3.48Å; H120-E123 HydrophobicContact CB-CG 4.04Å; H120-E123 WeakPolarHBondContact CB-OE1 3.43Å; H120-E123 IonicContact CE1-OE2 2.88Å; H120-E123 IonicContact CG-OE1 3.14Å; H120-E123 IonicContact CG-OE2 3.61Å; H120-E123 IonicContact ND1-OE1 3.16Å; H120-E123 PolarHBondContact ND1-OE1 3.17Å; H120-E123 VanDerWaalsContact ND1-OE1 3.07Å; H120-E123 IonicContact ND1-OE2 3.55Å; H120-E123 PolarHBondContact ND1-OE2 2.87Å; H120-E123 PolarHBondContact O-N 2.84Å; H120-R181 VanDerWaalsContact CA-O 3.25Å; H120-R181 WeakPolarHBondContact CA-O 3.27Å; H120-R181 HydrophobicContact CB-CG 3.99Å; H120-R181 PolarHBondContact CD2-NH2 3.08Å; H120-R181 PolarHBondContact CE1-NH1 3.07Å; H120-R181 VanDerWaalsContact CE1-NH1 3.29Å; H120-R181 PolarHBondContact CE1-NH2 3.09Å; H120-R181 PolarHBondContact ND1-NH1 3.49Å; H120-R181 VanDerWaalsContact ND1-NH1 3.14Å; H120-R181 PolarHBondContact NE2-NH2 2.88Å; H120-D188 IonicContact CD2-OD1 3.73Å; H120-D188 IonicContact NE2-OD1 3.67Å; H120-D188 PolarHBondContact NE2-OD1 3.39Å; H120-N190 WeakPolarHBondContact NE2-CB 3.44Å; H120-H229 AromaticContact CE1-CE1 3.19Å; H120-H229 PolarHBondContact CE1-CE1 3.16Å; H120-H229 AromaticContact CE1-ND1 2.92Å; H120-H229 PolarHBondContact CE1-ND1 3.48Å; H120-H229 AromaticContact ND1-CE1 3.54Å; H120-H229 AromaticContact ND1-ND1 3.02Å; H120-H229 PolarHBondContact ND1-ND1 2.89Å; H120-H229 AromaticContact NE2-CE1 3.89Å |
| 121 | G | 96.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 1.3 Ų | 1.3 | 0% | 0 | 1% | 0.007 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -30.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | N118 E123 N163 F167 G180 R181 | N118-G121 PolarHBondContact ND2-O 2.94Å; G121-E123 VanDerWaalsContact C-N 3.3Å; G121-E123 PolarHBondContact O-N 3.12Å; G121-N163 PolarHBondContact N-ND2 2.98Å; G121-F167 VanDerWaalsContact O-CA 3.25Å; G121-F167 WeakPolarHBondContact O-CA 3.49Å; G121-F167 WeakPolarHBondContact O-CB 3.48Å; G121-F167 WeakPolarHBondContact O-CD2 3.46Å; G121-G180 CarbonylContact C-O 3.52Å; G121-G180 VanDerWaalsContact C-O 3.3Å; G121-G180 WeakPolarHBondContact CA-O 3.21Å; G121-G180 PolarHBondContact N-O 2.85Å; G121-R181 PolarHBondContact N-O 2.8Å |
| 122 | N | 96.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 1.8 Ų | 1.8 | 1% | 0.005 | 1% | 0.008 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -5 | 176.3 | 73.8 | -34.2 | 0 | 0 | 0 | 114.7 | H120 A124 G177 I179 G180 R181 K322 | H120-N122 VanDerWaalsContact C-N 3.33Å; H120-N122 PolarHBondContact O-N 2.8Å; N122-A124 VanDerWaalsContact C-N 3.34Å; N122-A124 PolarHBondContact O-N 3.17Å; N122-G177 PolarHBondContact ND2-O 3.35Å; N122-I179 WeakPolarHBondContact CB-O 3.39Å; N122-G180 PolarHBondContact N-O 3.07Å; N122-R181 WeakPolarHBondContact OD1-CA 3.43Å; N122-R181 WeakPolarHBondContact OD1-CB 3.41Å; N122-K322 CarbonylContact O-C 3.6Å; N122-K322 VanDerWaalsContact O-C 3.32Å |
| 123 | E | 97.1 | Very high | 96.7 | Very high | 5 Ų | 5 | 1.9 Ų | 1.9 | 2% | 0.023 | 1% | 0.009 | C | C | . | . | trans | -93.1 | 78.5 | 174.6 | -70 | 164.3 | -144 | 0 | 0 | 107.5 | N118 H120 G121 R181 H229 A230 K322 | N118-E123 PolarHBondContact ND2-O 3.15Å; H120-E123 HydrophobicContact CB-CB 4.11Å; H120-E123 VanDerWaalsContact CB-CD 3.48Å; H120-E123 HydrophobicContact CB-CG 4.04Å; H120-E123 WeakPolarHBondContact CB-OE1 3.43Å; H120-E123 IonicContact CE1-OE2 2.88Å; H120-E123 IonicContact CG-OE1 3.14Å; H120-E123 IonicContact CG-OE2 3.61Å; H120-E123 IonicContact ND1-OE1 3.16Å; H120-E123 PolarHBondContact ND1-OE1 3.17Å; H120-E123 VanDerWaalsContact ND1-OE1 3.07Å; H120-E123 IonicContact ND1-OE2 3.55Å; H120-E123 PolarHBondContact ND1-OE2 2.87Å; H120-E123 PolarHBondContact O-N 2.84Å; G121-E123 VanDerWaalsContact C-N 3.3Å; G121-E123 PolarHBondContact O-N 3.12Å; E123-R181 IonicContact OE1-NH1 2.76Å; E123-R181 PolarHBondContact OE1-NH1 3.47Å; E123-H229 IonicContact OE2-CG 2.76Å; E123-H229 IonicContact OE2-ND1 3.93Å; E123-A230 HydrophobicContact CB-CB 4.16Å; E123-A230 HydrophobicContact CG-CB 4.2Å; E123-A230 WeakPolarHBondContact CG-O 3.47Å; E123-A230 PolarHBondContact OE2-N 2.75Å; E123-K322 WeakPolarHBondContact CA-O 3.29Å; E123-K322 HydrophobicContact CG-CB 4.09Å; E123-K322 HydrophobicContact CG-CD 4.37Å; E123-K322 HydrophobicContact CG-CG 4.06Å | ||
| 124 | A | 95.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 1.9 Ų | 1.9 | 0% | 0 | 1% | 0.009 | C | C | . | . | trans | -79.3 | -26.6 | -157.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y59 N122 G126 R127 F167 K322 Y323 | Y59-A124 HydrophobicContact CD1-CB 4.05Å; Y59-A124 HydrophobicContact CE1-CB 3.67Å; N122-A124 VanDerWaalsContact C-N 3.34Å; N122-A124 PolarHBondContact O-N 3.17Å; A124-G126 PolarHBondContact O-N 3.19Å; A124-R127 WeakPolarHBondContact O-CB 3.48Å; A124-F167 HydrophobicContact CB-CD2 4.34Å; A124-F167 HydrophobicContact CB-CE2 3.91Å; A124-K322 PolarHBondContact N-O 3.26Å; A124-K322 VanDerWaalsContact N-O 3.11Å; A124-Y323 HydrophobicContact CB-CD1 3.48Å; A124-Y323 VanDerWaalsContact CB-CD1 3.48Å; A124-Y323 HydrophobicContact CB-CD2 3.82Å; A124-Y323 HydrophobicContact CB-CE1 3.6Å; A124-Y323 HydrophobicContact CB-CE2 3.92Å; A124-Y323 HydrophobicContact CB-CG 3.61Å | ||
| 125 | I | 96.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 2 Ų | 2 | 0% | 0 | 1% | 0.009 | C | C | . | . | H | α-helix | trans | -71.2 | -33.4 | -166.7 | -170.3 | 62.6 | 0 | 0 | 0 | 113.7 | R127 E128 L129 A230 L318 P324 I329 Y332 | I125-R127 PolarHBondContact O-N 3.01Å; I125-E128 HydrophobicContact CD1-CB 4.35Å; I125-E128 WeakPolarHBondContact O-CB 3.23Å; I125-E128 PolarHBondContact O-N 3.04Å; I125-L129 HydrophobicContact CD1-CD2 4.34Å; I125-L129 HydrophobicContact CG1-CD2 4.32Å; I125-L129 HydrophobicContact CG1-CG 4.32Å; I125-L129 WeakPolarHBondContact O-CG 3.39Å; I125-L129 PolarHBondContact O-N 3.07Å; I125-L129 VanDerWaalsContact O-N 3.09Å; I125-A230 HydrophobicContact CG2-CB 4.13Å; I125-L318 HydrophobicContact CG2-CB 4.08Å; I125-L318 HydrophobicContact CG2-CD1 3.9Å; I125-P324 HydrophobicContact CB-CG 4.21Å; I125-I329 HydrophobicContact CD1-CB 4.22Å; I125-I329 HydrophobicContact CD1-CG1 4.03Å; I125-I329 HydrophobicContact CD1-CG2 3.99Å; I125-Y332 HydrophobicContact CD1-CD2 4.43Å; I125-Y332 HydrophobicContact CD1-CG 4.04Å; I125-Y332 HydrophobicContact CG1-CD1 3.68Å; I125-Y332 HydrophobicContact CG1-CD2 4.39Å; I125-Y332 HydrophobicContact CG1-CE1 4.27Å; I125-Y332 HydrophobicContact CG1-CG 3.71Å; I125-Y332 HydrophobicContact CG2-CD1 4.28Å; I125-Y332 HydrophobicContact CG2-CE1 4.21Å |
| 126 | G | 96.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 2 Ų | 2 | 1% | 0.01 | 1% | 0.01 | C | C | . | . | H | α-helix | trans | -57.6 | -35.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A124 E128 L129 I130 | A124-G126 PolarHBondContact O-N 3.19Å; G126-E128 VanDerWaalsContact C-N 3.34Å; G126-E128 PolarHBondContact O-N 3.16Å; G126-L129 PolarHBondContact O-N 3.28Å; G126-I130 WeakPolarHBondContact O-CG1 3.3Å; G126-I130 PolarHBondContact O-N 3.18Å |
| 127 | R | 95.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 2.2 Ų | 2.2 | 0% | 0.004 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -57.9 | -44.5 | 173.8 | -179 | -179.3 | 174.9 | 122.3 | -9.1 | 112.4 | N60 L65 N118 A124 I125 L131 P160 S161 E168 | N60-R127 VanDerWaalsContact O-CZ 3.27Å; N60-R127 PolarHBondContact O-NE 3.48Å; N60-R127 PolarHBondContact O-NH2 3.27Å; L65-R127 HydrophobicContact CD1-CG 4.5Å; L65-R127 HydrophobicContact CD2-CG 4.14Å; N118-R127 HydrophobicContact CB-CB 4.02Å; A124-R127 WeakPolarHBondContact O-CB 3.48Å; I125-R127 PolarHBondContact O-N 3.01Å; R127-L131 WeakPolarHBondContact O-CB 3.21Å; R127-L131 PolarHBondContact O-N 2.76Å; R127-L131 VanDerWaalsContact O-N 3.16Å; R127-P160 WeakPolarHBondContact CA-O 3.34Å; R127-P160 WeakPolarHBondContact CB-O 3.08Å; R127-P160 HydrophobicContact CG-CB 4.11Å; R127-P160 WeakPolarHBondContact CG-O 3.31Å; R127-S161 PolarHBondContact NH1-OG 2.81Å; R127-E168 IonicContact NH2-OE1 3.44Å |
| 128 | E | 96 | Very high | 96.3 | Very high | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -74.4 | -28.9 | -179.4 | -69.8 | -61 | 138.6 | 0 | 0 | 113 | Y59 N60 I125 G126 R132 I329 | Y59-E128 HydrophobicContact CD1-CG 3.53Å; Y59-E128 HydrophobicContact CE1-CG 3.69Å; Y59-E128 HydrophobicContact CG-CG 4.48Å; N60-E128 WeakPolarHBondContact CB-OE1 3.38Å; N60-E128 PolarHBondContact N-OE1 3.12Å; N60-E128 PolarHBondContact ND2-OE1 3.06Å; N60-E128 PolarHBondContact ND2-OE2 3.39Å; I125-E128 HydrophobicContact CD1-CB 4.35Å; I125-E128 WeakPolarHBondContact O-CB 3.23Å; I125-E128 PolarHBondContact O-N 3.04Å; G126-E128 VanDerWaalsContact C-N 3.34Å; G126-E128 PolarHBondContact O-N 3.16Å; E128-R132 WeakPolarHBondContact O-CB 3.39Å; E128-R132 WeakPolarHBondContact O-CD 3.32Å; E128-R132 WeakPolarHBondContact O-CG 3.39Å; E128-R132 PolarHBondContact O-N 3.45Å; E128-R132 PolarHBondContact O-NH1 2.89Å; E128-R132 IonicContact OE2-CZ 3.78Å; E128-R132 IonicContact OE2-NH1 2.78Å; E128-R132 PolarHBondContact OE2-NH1 2.04Å; E128-R132 IonicContact OE2-NH2 3.13Å; E128-I329 HydrophobicContact CB-CG2 3.88Å; E128-I329 HydrophobicContact CG-CD1 4.18Å; E128-I329 HydrophobicContact CG-CG2 4.41Å |
| 129 | L | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 4.1 Ų | 4.1 | 0% | 0 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -75.1 | -43.8 | 174.2 | -57.1 | -163.3 | 0 | 0 | 0 | 112.1 | I125 G126 L131 R132 L133 L228 L318 W333 N336 L340 | I125-L129 HydrophobicContact CD1-CD2 4.34Å; I125-L129 HydrophobicContact CG1-CD2 4.32Å; I125-L129 HydrophobicContact CG1-CG 4.32Å; I125-L129 WeakPolarHBondContact O-CG 3.39Å; I125-L129 PolarHBondContact O-N 3.07Å; I125-L129 VanDerWaalsContact O-N 3.09Å; G126-L129 PolarHBondContact O-N 3.28Å; L129-L131 VanDerWaalsContact C-N 3.31Å; L129-L131 PolarHBondContact O-N 3.47Å; L129-R132 PolarHBondContact O-N 2.83Å; L129-L133 PolarHBondContact O-N 3.2Å; L129-L228 HydrophobicContact CB-CD2 4.39Å; L129-L318 HydrophobicContact CD1-CD1 3.79Å; L129-L318 HydrophobicContact CD1-CD2 3.95Å; L129-L318 HydrophobicContact CD1-CG 4.4Å; L129-W333 HydrophobicContact CD2-CB 3.98Å; L129-W333 HydrophobicContact CD2-CE3 4.27Å; L129-N336 HydrophobicContact CD1-CB 3.88Å; L129-L340 HydrophobicContact CB-CD1 4.36Å |
| 130 | I | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 4.3 Ų | 4.3 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -63.6 | -39.1 | 177.3 | -68.1 | 172.3 | 0 | 0 | 0 | 110.6 | F115 G117 G126 L133 A134 L158 M159 P160 L228 | F115-I130 HydrophobicContact CB-CD1 4.08Å; F115-I130 HydrophobicContact CB-CG1 4.23Å; G117-I130 VanDerWaalsContact N-CD1 3.28Å; G126-I130 WeakPolarHBondContact O-CG1 3.3Å; G126-I130 PolarHBondContact O-N 3.18Å; I130-L133 PolarHBondContact O-N 2.73Å; I130-A134 PolarHBondContact O-N 2.8Å; I130-L158 HydrophobicContact CG2-CB 3.71Å; I130-L158 HydrophobicContact CG2-CD2 4.32Å; I130-L158 HydrophobicContact CG2-CG 4.42Å; I130-M159 WeakPolarHBondContact CD1-O 3.44Å; I130-P160 HydrophobicContact CB-CB 4.34Å; I130-P160 HydrophobicContact CG2-CB 4.19Å; I130-P160 HydrophobicContact CG2-CG 3.91Å; I130-L228 HydrophobicContact CD1-CD1 4.46Å; I130-L228 HydrophobicContact CD1-CD2 4.08Å; I130-L228 HydrophobicContact CG1-CD2 3.84Å |
| 131 | L | 96.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 7.4 Ų | 7.4 | 1% | 0.005 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -62.2 | -45.3 | 173.2 | -173 | 64 | 0 | 0 | 0 | 111.6 | L65 K68 M69 R127 L129 L133 A134 Y135 | L65-L131 HydrophobicContact CD1-CB 4.44Å; L65-L131 HydrophobicContact CD1-CD1 4.03Å; L65-L131 HydrophobicContact CD1-CD2 3.93Å; L65-L131 HydrophobicContact CD1-CG 4.36Å; K68-L131 HydrophobicContact CB-CD1 4.16Å; K68-L131 HydrophobicContact CB-CD2 4.2Å; K68-L131 HydrophobicContact CD-CD2 4.04Å; M69-L131 HydrophobicContact CG-CD1 4.15Å; R127-L131 WeakPolarHBondContact O-CB 3.21Å; R127-L131 PolarHBondContact O-N 2.76Å; R127-L131 VanDerWaalsContact O-N 3.16Å; L129-L131 VanDerWaalsContact C-N 3.31Å; L129-L131 PolarHBondContact O-N 3.47Å; L131-L133 PolarHBondContact O-N 2.98Å; L131-A134 WeakPolarHBondContact O-CB 3.43Å; L131-A134 PolarHBondContact O-N 2.83Å; L131-Y135 HydrophobicContact CD1-CD2 4.31Å; L131-Y135 HydrophobicContact CD1-CE2 4.01Å; L131-Y135 HydrophobicContact CG-CD2 4.27Å; L131-Y135 HydrophobicContact CG-CE2 4.2Å; L131-Y135 WeakPolarHBondContact O-CD2 3.49Å; L131-Y135 PolarHBondContact O-N 3.45Å; L131-Y135 VanDerWaalsContact O-N 3.1Å |
| 132 | R | 96.1 | Very high | 95.6 | Very high | 14 Ų | 14 | 10.3 Ų | 10.3 | 5% | 0.053 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.2 | -38.7 | 176.6 | -80 | 164.9 | -177.8 | 70.7 | 1.1 | 112.6 | L55 G56 E128 L129 A134 Y135 L136 I329 W333 | L55-R132 HydrophobicContact CD1-CG 3.62Å; G56-R132 PolarHBondContact O-NH2 2.91Å; E128-R132 WeakPolarHBondContact O-CB 3.39Å; E128-R132 WeakPolarHBondContact O-CD 3.32Å; E128-R132 WeakPolarHBondContact O-CG 3.39Å; E128-R132 PolarHBondContact O-N 3.45Å; E128-R132 PolarHBondContact O-NH1 2.89Å; E128-R132 IonicContact OE2-CZ 3.78Å; E128-R132 IonicContact OE2-NH1 2.78Å; E128-R132 PolarHBondContact OE2-NH1 2.04Å; E128-R132 IonicContact OE2-NH2 3.13Å; L129-R132 PolarHBondContact O-N 2.83Å; R132-A134 PolarHBondContact O-N 3.41Å; R132-Y135 PolarHBondContact O-N 3.31Å; R132-L136 WeakPolarHBondContact O-CB 3.36Å; R132-L136 PolarHBondContact O-N 2.93Å; R132-I329 VanDerWaalsContact CZ-CG2 3.41Å; R132-W333 HydrophobicContact CB-CD2 3.63Å; R132-W333 HydrophobicContact CB-CE3 3.45Å; R132-W333 VanDerWaalsContact CB-CE3 3.45Å; R132-W333 HydrophobicContact CB-CG 4.39Å; R132-W333 HydrophobicContact CB-CH2 3.81Å; R132-W333 HydrophobicContact CB-CZ2 3.97Å; R132-W333 HydrophobicContact CB-CZ3 3.55Å; R132-W333 HydrophobicContact CG-CD2 4.22Å; R132-W333 HydrophobicContact CG-CE3 4.4Å; R132-W333 HydrophobicContact CG-CG 4.5Å |
| 133 | L | 96.3 | Very high | 95.3 | Very high | 3 Ų | 3 | 14.3 Ų | 14.3 | 2% | 0.016 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.8 | -43.1 | 172.8 | -178.1 | 62.8 | 0 | 0 | 0 | 111.9 | F115 L129 I130 L131 Y135 L136 L137 L158 W333 L340 I341 | F115-L133 HydrophobicContact CD2-CD2 3.67Å; F115-L133 HydrophobicContact CE2-CD2 3.67Å; L129-L133 PolarHBondContact O-N 3.2Å; I130-L133 PolarHBondContact O-N 2.73Å; L131-L133 PolarHBondContact O-N 2.98Å; L133-Y135 PolarHBondContact O-N 2.96Å; L133-L136 PolarHBondContact O-N 2.87Å; L133-L137 HydrophobicContact CD1-CD1 4.48Å; L133-L137 HydrophobicContact CD1-CG 4.3Å; L133-L137 HydrophobicContact CG-CD1 4.26Å; L133-L137 WeakPolarHBondContact O-CG 3.28Å; L133-L137 PolarHBondContact O-N 3.25Å; L133-L158 HydrophobicContact CD2-CD2 4.04Å; L133-W333 HydrophobicContact CB-CH2 4.41Å; L133-W333 HydrophobicContact CB-CZ3 4.32Å; L133-L340 HydrophobicContact CD2-CB 4.3Å; L133-I341 HydrophobicContact CD1-CG1 4.31Å |
| 134 | A | 96.5 | Very high | 95 | Very high | 3 Ų | 3 | 16 Ų | 16 | 3% | 0.025 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.4 | -43.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V72 L97 F99 I130 L131 R132 C138 L158 | V72-A134 HydrophobicContact CG1-CB 4.38Å; L97-A134 HydrophobicContact CD2-CB 3.89Å; F99-A134 HydrophobicContact CE2-CB 3.96Å; F99-A134 HydrophobicContact CZ-CB 4.19Å; F99-A134 VanDerWaalsContact CZ-O 3.25Å; F99-A134 WeakPolarHBondContact CZ-O 3.38Å; I130-A134 PolarHBondContact O-N 2.8Å; L131-A134 WeakPolarHBondContact O-CB 3.43Å; L131-A134 PolarHBondContact O-N 2.83Å; R132-A134 PolarHBondContact O-N 3.41Å; A134-C138 VanDerWaalsContact O-CB 3.32Å; A134-C138 WeakPolarHBondContact O-CB 3.21Å; A134-C138 PolarHBondContact O-N 2.88Å; A134-L158 HydrophobicContact CB-CD1 3.71Å |
| 135 | Y | 96.2 | Very high | 94.9 | Very high | 5 Ų | 5 | 20.8 Ų | 20.8 | 2% | 0.02 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.3 | -41.9 | 174.3 | -87.8 | -87.5 | 0 | 0 | 0 | 112.4 | A53 L55 K68 E71 V72 L131 R132 L133 C138 M139 | A53-Y135 HydrophobicContact CB-CD1 3.51Å; A53-Y135 HydrophobicContact CB-CE1 4.35Å; A53-Y135 HydrophobicContact CB-CG 3.74Å; L55-Y135 HydrophobicContact CD1-CD2 3.72Å; L55-Y135 HydrophobicContact CD1-CE2 4.2Å; L55-Y135 HydrophobicContact CD1-CG 4.12Å; L55-Y135 HydrophobicContact CD2-CD2 4.36Å; L55-Y135 HydrophobicContact CD2-CE2 4.03Å; L55-Y135 HydrophobicContact CG-CD2 4.49Å; K68-Y135 HydrophobicContact CB-CE2 4.38Å; K68-Y135 PolarHBondContact O-OH 2.82Å; E71-Y135 VanDerWaalsContact CD-OH 3.25Å; E71-Y135 PolarHBondContact OE2-OH 3.31Å; V72-Y135 HydrophobicContact CG2-CD1 3.97Å; V72-Y135 HydrophobicContact CG2-CD2 3.48Å; V72-Y135 VanDerWaalsContact CG2-CD2 3.48Å; V72-Y135 HydrophobicContact CG2-CE1 3.79Å; V72-Y135 HydrophobicContact CG2-CE2 3.26Å; V72-Y135 HydrophobicContact CG2-CG 3.83Å; V72-Y135 VanDerWaalsContact CG2-CZ 3.41Å; L131-Y135 HydrophobicContact CD1-CD2 4.31Å; L131-Y135 HydrophobicContact CD1-CE2 4.01Å; L131-Y135 HydrophobicContact CG-CD2 4.27Å; L131-Y135 HydrophobicContact CG-CE2 4.2Å; L131-Y135 WeakPolarHBondContact O-CD2 3.49Å; L131-Y135 PolarHBondContact O-N 3.45Å; L131-Y135 VanDerWaalsContact O-N 3.1Å; R132-Y135 PolarHBondContact O-N 3.31Å; L133-Y135 PolarHBondContact O-N 2.96Å; Y135-C138 PolarHBondContact O-N 2.85Å; Y135-M139 HydrophobicContact CD1-SD 4.5Å; Y135-M139 VanDerWaalsContact O-CB 3.26Å; Y135-M139 WeakPolarHBondContact O-CB 3.49Å; Y135-M139 WeakPolarHBondContact O-CG 3.24Å; Y135-M139 PolarHBondContact O-N 3.18Å |
| 136 | L | 95 | Very high | 94.6 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.5 | -48.5 | 176.9 | 178.1 | 151.8 | 0 | 0 | 0 | 111.5 | L50 R132 L133 C138 M139 N140 W333 I341 | L50-L136 HydrophobicContact CB-CD1 4.48Å; L50-L136 HydrophobicContact CD1-CD1 3.99Å; L50-L136 HydrophobicContact CD1-CD2 4.23Å; L50-L136 HydrophobicContact CD1-CG 4.38Å; R132-L136 WeakPolarHBondContact O-CB 3.36Å; R132-L136 PolarHBondContact O-N 2.93Å; L133-L136 PolarHBondContact O-N 2.87Å; L136-C138 PolarHBondContact O-N 2.97Å; L136-M139 PolarHBondContact O-N 3.01Å; L136-N140 WeakPolarHBondContact O-CB 3.45Å; L136-N140 PolarHBondContact O-N 3.04Å; L136-N140 VanDerWaalsContact O-N 3.12Å; L136-N140 PolarHBondContact O-ND2 3.14Å; L136-W333 HydrophobicContact CB-CH2 4.31Å; L136-W333 HydrophobicContact CB-CZ2 4.31Å; L136-W333 HydrophobicContact CD1-CH2 3.99Å; L136-W333 HydrophobicContact CD1-CZ2 3.73Å; L136-I341 HydrophobicContact CD1-CD1 4.14Å; L136-I341 HydrophobicContact CD2-CD1 3.9Å |
| 137 | L | 95.5 | Very high | 94.4 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.016 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.5 | -46.1 | 177.9 | -69.2 | 174.5 | 0 | 0 | 0 | 111.1 | F99 L133 Y141 V147 V151 I156 L158 | F99-L137 HydrophobicContact CD1-CB 3.98Å; F99-L137 HydrophobicContact CD1-CD1 4.49Å; F99-L137 HydrophobicContact CD2-CD1 4.43Å; F99-L137 HydrophobicContact CE1-CB 3.69Å; F99-L137 HydrophobicContact CG-CD1 4.35Å; F99-L137 HydrophobicContact CZ-CB 4.11Å; L133-L137 HydrophobicContact CD1-CD1 4.48Å; L133-L137 HydrophobicContact CD1-CG 4.3Å; L133-L137 HydrophobicContact CG-CD1 4.26Å; L133-L137 WeakPolarHBondContact O-CG 3.28Å; L133-L137 PolarHBondContact O-N 3.25Å; L137-Y141 WeakPolarHBondContact O-CB 3.46Å; L137-Y141 PolarHBondContact O-N 2.85Å; L137-Y141 VanDerWaalsContact O-N 3.17Å; L137-V147 HydrophobicContact CD2-CG1 4.04Å; L137-V151 HydrophobicContact CD2-CG2 4.26Å; L137-I156 HydrophobicContact CD1-CD1 4.24Å; L137-I156 HydrophobicContact CD1-CG2 4.43Å; L137-L158 HydrophobicContact CD1-CD1 4.33Å |
| 138 | C | 95.7 | Very high | 94.3 | Very high | 8 Ų | 8 | 22.3 Ų | 22.3 | 5% | 0.054 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66 | -41.7 | 178.6 | 173.6 | 0 | 0 | 0 | 0 | 113.2 | V72 C76 F99 A134 Y135 L136 | V72-C138 HydrophobicContact CG1-CB 3.72Å; C76-C138 HydrophobicContact CB-CB 3.9Å; C76-C138 WeakPolarHBondContact CB-SG 3.23Å; C76-C138 VanDerWaalsContact SG-C 3.55Å; C76-C138 WeakPolarHBondContact SG-CA 3.39Å; C76-C138 WeakPolarHBondContact SG-CB 3.45Å; C76-C138 PolarHBondContact SG-O 3.42Å; C76-C138 CovalentContact SG-SG 2.04Å; C76-C138 PolarHBondContact SG-SG 3.19Å; F99-C138 HydrophobicContact CE1-CB 4Å; F99-C138 HydrophobicContact CZ-CB 4.16Å; A134-C138 VanDerWaalsContact O-CB 3.32Å; A134-C138 WeakPolarHBondContact O-CB 3.21Å; A134-C138 PolarHBondContact O-N 2.88Å; Y135-C138 PolarHBondContact O-N 2.85Å; L136-C138 PolarHBondContact O-N 2.97Å |
| 139 | M | 94 | Very high | 94.2 | Very high | 34 Ų | 34 | 23.4 Ų | 23.4 | 17% | 0.167 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -76.6 | -22.8 | -175.9 | -76.7 | -175.7 | 38.2 | 0 | 0 | 114.5 | L51 E52 A53 Y135 L136 | L51-M139 HydrophobicContact CB-CB 4.45Å; L51-M139 HydrophobicContact CB-CE 4.05Å; E52-M139 WeakPolarHBondContact O-CE 3.34Å; A53-M139 HydrophobicContact CB-SD 3.72Å; Y135-M139 HydrophobicContact CD1-SD 4.5Å; Y135-M139 VanDerWaalsContact O-CB 3.26Å; Y135-M139 WeakPolarHBondContact O-CB 3.49Å; Y135-M139 WeakPolarHBondContact O-CG 3.24Å; Y135-M139 PolarHBondContact O-N 3.18Å; L136-M139 PolarHBondContact O-N 3.01Å |
| 140 | N | 94.5 | Very high | 94 | Very high | 4 Ų | 4 | 23.5 Ų | 23.5 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -100.1 | -21.1 | -179 | -66.9 | -83.6 | 0 | 0 | 0 | 113.4 | L50 L51 L136 G142 S143 D144 V147 | L50-N140 HydrophobicContact CD2-CB 4.43Å; L51-N140 PolarHBondContact N-OD1 3.4Å; L51-N140 PolarHBondContact O-ND2 3Å; L136-N140 WeakPolarHBondContact O-CB 3.45Å; L136-N140 PolarHBondContact O-N 3.04Å; L136-N140 VanDerWaalsContact O-N 3.12Å; L136-N140 PolarHBondContact O-ND2 3.14Å; N140-G142 PolarHBondContact O-N 2.75Å; N140-S143 PolarHBondContact O-N 3.05Å; N140-S143 PolarHBondContact O-OG 2.94Å; N140-D144 HydrophobicContact CB-CB 4.12Å; N140-D144 PolarHBondContact O-N 3.28Å; N140-V147 HydrophobicContact CB-CB 4.23Å; N140-V147 HydrophobicContact CB-CG1 4.17Å; N140-V147 HydrophobicContact CB-CG2 4.15Å |
| 141 | Y | 92.8 | Very high | 93.9 | Very high | 70 Ų | 70 | 23.5 Ų | 23.5 | 28% | 0.275 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 133.2 | 177.6 | -176.6 | -91.6 | 0 | 0 | 0 | 112.6 | I79 L137 S143 T148 V151 N152 | I79-Y141 HydrophobicContact CD1-CD1 3.77Å; I79-Y141 HydrophobicContact CD1-CD2 4.03Å; I79-Y141 HydrophobicContact CD1-CE1 4.34Å; I79-Y141 HydrophobicContact CD1-CG 3.59Å; I79-Y141 HydrophobicContact CG2-CD1 4.25Å; I79-Y141 HydrophobicContact CG2-CE1 3.69Å; I79-Y141 HydrophobicContact CG2-CE2 4.16Å; L137-Y141 WeakPolarHBondContact O-CB 3.46Å; L137-Y141 PolarHBondContact O-N 2.85Å; L137-Y141 VanDerWaalsContact O-N 3.17Å; Y141-S143 PolarHBondContact O-N 3.47Å; Y141-T148 HydrophobicContact CD2-CG2 4.4Å; Y141-T148 HydrophobicContact CE2-CG2 4.05Å; Y141-V151 HydrophobicContact CD2-CB 3.68Å; Y141-V151 HydrophobicContact CD2-CG1 3.79Å; Y141-V151 HydrophobicContact CD2-CG2 4.28Å; Y141-V151 HydrophobicContact CE2-CB 3.83Å; Y141-V151 HydrophobicContact CE2-CG1 3.79Å; Y141-N152 PolarHBondContact OH-OD1 2.72Å |
| 142 | G | 91.3 | Very high | 93.7 | Very high | 62 Ų | 62 | 25.1 Ų | 25.1 | 64% | 0.639 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | -4.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | N140 T148 | N140-G142 PolarHBondContact O-N 2.75Å; G142-T148 WeakPolarHBondContact CA-OG1 3.44Å; G142-T148 PolarHBondContact N-OG1 2.88Å |
| 143 | S | 90.7 | Very high | 93.5 | Very high | 84 Ų | 84 | 26.5 Ų | 26.5 | 59% | 0.587 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -122.2 | -41.7 | 178.3 | 66.2 | 0 | 0 | 0 | 0 | 113.5 | N140 Y141 | N140-S143 PolarHBondContact O-N 3.05Å; N140-S143 PolarHBondContact O-OG 2.94Å; Y141-S143 PolarHBondContact O-N 3.47Å |
| 144 | D | 90.9 | Very high | 93.4 | Very high | 40 Ų | 40 | 26.4 Ų | 26.4 | 21% | 0.214 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -91.7 | 132.9 | 168.4 | 173.8 | -114 | 0 | 0 | 0 | 110.6 | L50 N140 F146 V147 T148 | L50-D144 HydrophobicContact CD2-CB 4.22Å; N140-D144 HydrophobicContact CB-CB 4.12Å; N140-D144 PolarHBondContact O-N 3.28Å; D144-F146 WeakPolarHBondContact OD1-CB 3.37Å; D144-F146 PolarHBondContact OD1-N 2.92Å; D144-V147 HydrophobicContact CB-CB 4.39Å; D144-V147 WeakPolarHBondContact OD1-CG2 3.35Å; D144-V147 PolarHBondContact OD1-N 3.27Å; D144-T148 WeakPolarHBondContact O-CB 3.39Å; D144-T148 PolarHBondContact O-N 3.04Å; D144-T148 VanDerWaalsContact O-N 3.15Å; D144-T148 PolarHBondContact O-OG1 3.44Å |
| 145 | E | 91.4 | Very high | 93.3 | Very high | 102 Ų | 102 | 26.4 Ų | 26.4 | 48% | 0.477 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -67.7 | -39.1 | -177.2 | 179.6 | 168 | -123.2 | 0 | 0 | 111.9 | K31 L35 T148 L149 | K31-E145 WeakPolarHBondContact CE-OE2 3.46Å; K31-E145 IonicContact NZ-OE1 3.87Å; K31-E145 PolarHBondContact NZ-OE1 3.04Å; K31-E145 IonicContact NZ-OE2 2.73Å; K31-E145 PolarHBondContact NZ-OE2 3.46Å; L35-E145 HydrophobicContact CD1-CG 4.1Å; E145-T148 PolarHBondContact O-N 2.83Å; E145-L149 HydrophobicContact CG-CD1 3.89Å; E145-L149 HydrophobicContact CG-CG 4.4Å; E145-L149 WeakPolarHBondContact O-CG 3.47Å; E145-L149 PolarHBondContact O-N 2.86Å |
| 146 | F | 91.1 | Very high | 93.3 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 1% | 0.013 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.7 | -54.5 | -176.4 | 162.4 | -98.8 | 0 | 0 | 0 | 111.7 | I32 L35 V36 F39 D144 T148 L149 L150 I341 S345 | I32-F146 HydrophobicContact CG2-CE2 4.22Å; L35-F146 HydrophobicContact CB-CB 4.06Å; L35-F146 HydrophobicContact CB-CD2 3.85Å; L35-F146 HydrophobicContact CB-CG 4.36Å; L35-F146 HydrophobicContact CD1-CB 4.34Å; V36-F146 HydrophobicContact CB-CD2 4.41Å; V36-F146 HydrophobicContact CB-CE2 3.69Å; V36-F146 HydrophobicContact CB-CZ 4.2Å; V36-F146 HydrophobicContact CG2-CE2 3.76Å; V36-F146 HydrophobicContact CG2-CZ 3.72Å; F39-F146 HydrophobicContact CD2-CE1 4.48Å; F39-F146 AromaticContact CE2-CD1 3.56Å; F39-F146 HydrophobicContact CE2-CD1 3.56Å; F39-F146 AromaticContact CE2-CE1 3.55Å; F39-F146 HydrophobicContact CE2-CE1 3.55Å; F39-F146 HydrophobicContact CE2-CG 4.08Å; F39-F146 HydrophobicContact CE2-CZ 4.04Å; F39-F146 AromaticContact CZ-CD1 3.88Å; F39-F146 HydrophobicContact CZ-CD1 3.88Å; F39-F146 AromaticContact CZ-CE1 3.98Å; F39-F146 HydrophobicContact CZ-CE1 3.98Å; D144-F146 WeakPolarHBondContact OD1-CB 3.37Å; D144-F146 PolarHBondContact OD1-N 2.92Å; F146-T148 PolarHBondContact O-N 2.93Å; F146-L149 PolarHBondContact O-N 3.13Å; F146-L149 VanDerWaalsContact O-N 3.13Å; F146-L150 HydrophobicContact CE1-CD2 4.01Å; F146-L150 HydrophobicContact CE2-CD1 4.36Å; F146-L150 HydrophobicContact CE2-CD2 4.39Å; F146-L150 HydrophobicContact CZ-CD1 4.36Å; F146-L150 HydrophobicContact CZ-CD2 3.66Å; F146-L150 HydrophobicContact CZ-CG 4.48Å; F146-L150 WeakPolarHBondContact O-CB 3.4Å; F146-L150 PolarHBondContact O-N 3.07Å; F146-I341 HydrophobicContact CE1-CG2 3.37Å; F146-I341 HydrophobicContact CZ-CG2 3.54Å; F146-S345 WeakPolarHBondContact CZ-OG 3.28Å |
| 147 | V | 92.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.8 | -36.8 | 176 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | L137 N140 D144 L150 V151 | L137-V147 HydrophobicContact CD2-CG1 4.04Å; N140-V147 HydrophobicContact CB-CB 4.23Å; N140-V147 HydrophobicContact CB-CG1 4.17Å; N140-V147 HydrophobicContact CB-CG2 4.15Å; D144-V147 HydrophobicContact CB-CB 4.39Å; D144-V147 WeakPolarHBondContact OD1-CG2 3.35Å; D144-V147 PolarHBondContact OD1-N 3.27Å; V147-L150 PolarHBondContact O-N 3.25Å; V147-V151 HydrophobicContact CG1-CG2 4.4Å; V147-V151 WeakPolarHBondContact O-CG2 3.46Å; V147-V151 PolarHBondContact O-N 3.26Å |
| 148 | T | 94 | Very high | 93.5 | Very high | 29 Ų | 29 | 26 Ų | 26 | 18% | 0.178 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.1 | -42 | 176.7 | -58.5 | 0 | 0 | 0 | 0 | 112.3 | Y141 G142 D144 E145 F146 N152 | Y141-T148 HydrophobicContact CD2-CG2 4.4Å; Y141-T148 HydrophobicContact CE2-CG2 4.05Å; G142-T148 WeakPolarHBondContact CA-OG1 3.44Å; G142-T148 PolarHBondContact N-OG1 2.88Å; D144-T148 WeakPolarHBondContact O-CB 3.39Å; D144-T148 PolarHBondContact O-N 3.04Å; D144-T148 VanDerWaalsContact O-N 3.15Å; D144-T148 PolarHBondContact O-OG1 3.44Å; E145-T148 PolarHBondContact O-N 2.83Å; F146-T148 PolarHBondContact O-N 2.93Å; T148-N152 WeakPolarHBondContact O-CB 3.47Å; T148-N152 PolarHBondContact O-N 2.95Å; T148-N152 PolarHBondContact O-ND2 2.98Å |
| 149 | L | 92.9 | Very high | 93.6 | Very high | 24 Ų | 24 | 25.7 Ų | 25.7 | 13% | 0.126 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.1 | -43.6 | 175.1 | -73 | 168.8 | 0 | 0 | 0 | 111.4 | K31 I32 L35 E145 F146 N152 Y153 | K31-L149 HydrophobicContact CD-CD1 3.76Å; K31-L149 HydrophobicContact CG-CD1 4.01Å; I32-L149 HydrophobicContact CD1-CB 4.17Å; I32-L149 HydrophobicContact CG1-CB 3.79Å; L35-L149 HydrophobicContact CD1-CD1 3.73Å; E145-L149 HydrophobicContact CG-CD1 3.89Å; E145-L149 HydrophobicContact CG-CG 4.4Å; E145-L149 WeakPolarHBondContact O-CG 3.47Å; E145-L149 PolarHBondContact O-N 2.86Å; F146-L149 PolarHBondContact O-N 3.13Å; F146-L149 VanDerWaalsContact O-N 3.13Å; L149-N152 PolarHBondContact O-N 3.27Å; L149-N152 VanDerWaalsContact O-N 3.16Å; L149-Y153 HydrophobicContact CD2-CD2 4.2Å; L149-Y153 HydrophobicContact CD2-CE2 4.01Å; L149-Y153 WeakPolarHBondContact O-CB 3.15Å; L149-Y153 WeakPolarHBondContact O-CD2 3.32Å; L149-Y153 PolarHBondContact O-N 3.42Å |
| 150 | L | 93.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.7 | -54.3 | 179.9 | -159.5 | 67.6 | 0 | 0 | 0 | 111.4 | I32 F146 V147 N152 Y153 T154 I156 L344 | I32-L150 HydrophobicContact CG2-CD1 3.85Å; F146-L150 HydrophobicContact CE1-CD2 4.01Å; F146-L150 HydrophobicContact CE2-CD1 4.36Å; F146-L150 HydrophobicContact CE2-CD2 4.39Å; F146-L150 HydrophobicContact CZ-CD1 4.36Å; F146-L150 HydrophobicContact CZ-CD2 3.66Å; F146-L150 HydrophobicContact CZ-CG 4.48Å; F146-L150 WeakPolarHBondContact O-CB 3.4Å; F146-L150 PolarHBondContact O-N 3.07Å; V147-L150 PolarHBondContact O-N 3.25Å; L150-N152 VanDerWaalsContact C-N 3.25Å; L150-N152 PolarHBondContact O-N 3.27Å; L150-Y153 PolarHBondContact O-N 3.49Å; L150-T154 WeakPolarHBondContact O-CB 3.32Å; L150-T154 PolarHBondContact O-N 3.14Å; L150-T154 PolarHBondContact O-OG1 3Å; L150-T154 VanDerWaalsContact O-OG1 3.11Å; L150-I156 HydrophobicContact CG-CD1 4.44Å; L150-L344 HydrophobicContact CD1-CD2 3.94Å; L150-L344 HydrophobicContact CD2-CD2 3.58Å; L150-L344 HydrophobicContact CG-CD2 3.76Å |
| 151 | V | 94.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.9 | -21.2 | 178.1 | 175.3 | 0 | 0 | 0 | 0 | 113 | I79 F99 G100 K101 L137 Y141 V147 I156 | I79-V151 HydrophobicContact CB-CG1 4.06Å; I79-V151 HydrophobicContact CD1-CG1 4.01Å; I79-V151 HydrophobicContact CG2-CG1 4.32Å; F99-V151 HydrophobicContact CB-CG1 4.46Å; F99-V151 HydrophobicContact CD1-CG2 4.46Å; G100-V151 CarbonylContact C-O 3.59Å; G100-V151 WeakPolarHBondContact CA-O 3.14Å; K101-V151 PolarHBondContact N-O 3.21Å; K101-V151 VanDerWaalsContact N-O 3.15Å; L137-V151 HydrophobicContact CD2-CG2 4.26Å; Y141-V151 HydrophobicContact CD2-CB 3.68Å; Y141-V151 HydrophobicContact CD2-CG1 3.79Å; Y141-V151 HydrophobicContact CD2-CG2 4.28Å; Y141-V151 HydrophobicContact CE2-CB 3.83Å; Y141-V151 HydrophobicContact CE2-CG1 3.79Å; V147-V151 HydrophobicContact CG1-CG2 4.4Å; V147-V151 WeakPolarHBondContact O-CG2 3.46Å; V147-V151 PolarHBondContact O-N 3.26Å; V151-I156 HydrophobicContact CG2-CD1 4.44Å |
| 152 | N | 92 | Very high | 94.2 | Very high | 34 Ų | 34 | 21.1 Ų | 21.1 | 18% | 0.182 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -80.1 | -22.6 | 174.9 | -81.5 | -34.3 | 0 | 0 | 0 | 114 | Y141 T148 L149 L150 | Y141-N152 PolarHBondContact OH-OD1 2.72Å; T148-N152 WeakPolarHBondContact O-CB 3.47Å; T148-N152 PolarHBondContact O-N 2.95Å; T148-N152 PolarHBondContact O-ND2 2.98Å; L149-N152 PolarHBondContact O-N 3.27Å; L149-N152 VanDerWaalsContact O-N 3.16Å; L150-N152 VanDerWaalsContact C-N 3.25Å; L150-N152 PolarHBondContact O-N 3.27Å |
| 153 | Y | 92.7 | Very high | 94.5 | Very high | 43 Ų | 43 | 18.1 Ų | 18.1 | 17% | 0.169 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -131.8 | 0.1 | -167.8 | -70 | -69.1 | 0 | 0 | 0 | 114.9 | Y24 P25 V28 P111 L149 L150 H348 | Y24-Y153 HydrophobicContact CD1-CD1 4.44Å; Y24-Y153 HydrophobicContact CD1-CE1 4.33Å; Y24-Y153 HydrophobicContact CD2-CD1 4.44Å; Y24-Y153 AromaticContact CE1-CD1 3.78Å; Y24-Y153 HydrophobicContact CE1-CD1 3.78Å; Y24-Y153 HydrophobicContact CE1-CE1 4.09Å; Y24-Y153 AromaticContact CE2-CD1 3.78Å; Y24-Y153 HydrophobicContact CE2-CD1 3.78Å; Y24-Y153 HydrophobicContact CE2-CE1 4.31Å; Y24-Y153 AromaticContact CZ-CD1 3.41Å; Y24-Y153 VanDerWaalsContact CZ-CD1 3.41Å; P25-Y153 WeakPolarHBondContact CD-OH 3.05Å; V28-Y153 HydrophobicContact CG1-CD1 4.08Å; V28-Y153 HydrophobicContact CG1-CD2 3.53Å; V28-Y153 HydrophobicContact CG1-CE1 4.27Å; V28-Y153 HydrophobicContact CG1-CE2 3.76Å; V28-Y153 HydrophobicContact CG1-CG 3.7Å; V28-Y153 HydrophobicContact CG2-CE2 4.35Å; P111-Y153 WeakPolarHBondContact CD-O 3.2Å; L149-Y153 HydrophobicContact CD2-CD2 4.2Å; L149-Y153 HydrophobicContact CD2-CE2 4.01Å; L149-Y153 WeakPolarHBondContact O-CB 3.15Å; L149-Y153 WeakPolarHBondContact O-CD2 3.32Å; L149-Y153 PolarHBondContact O-N 3.42Å; L150-Y153 PolarHBondContact O-N 3.49Å; Y153-H348 PolarHBondContact O-CE1 3.22Å; Y153-H348 VanDerWaalsContact O-CE1 3.28Å |
| 154 | T | 94.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.006 | 7% | 0.072 | C | C | . | . | trans | -122.7 | 144.2 | 164.6 | -33.7 | 0 | 0 | 0 | 0 | 109.3 | V113 L150 I156 V347 H348 | V113-T154 HydrophobicContact CB-CG2 4.44Å; V113-T154 HydrophobicContact CG1-CG2 3.89Å; V113-T154 HydrophobicContact CG2-CG2 3.7Å; L150-T154 WeakPolarHBondContact O-CB 3.32Å; L150-T154 PolarHBondContact O-N 3.14Å; L150-T154 PolarHBondContact O-OG1 3Å; L150-T154 VanDerWaalsContact O-OG1 3.11Å; T154-I156 HydrophobicContact CG2-CG1 3.96Å; T154-V347 HydrophobicContact CG2-CG1 3.84Å; T154-H348 PolarHBondContact OG1-NE2 2.99Å | ||
| 155 | Q | 94.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 12.5 Ų | 12.5 | 2% | 0.019 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 110.2 | 167.5 | -165.4 | -173.6 | -52 | 0 | 0 | 108.9 | F99 V110 P111 E112 V113 H157 | F99-Q155 CarbonylContact O-C 3.42Å; F99-Q155 WeakPolarHBondContact O-CA 3.25Å; V110-Q155 HydrophobicContact CG1-CB 4.35Å; P111-Q155 PolarHBondContact O-N 3.03Å; E112-Q155 CarbonylContact C-O 3.59Å; E112-Q155 VanDerWaalsContact CA-O 3.31Å; E112-Q155 WeakPolarHBondContact CA-O 3.22Å; E112-Q155 HydrophobicContact CB-CB 4.5Å; E112-Q155 HydrophobicContact CG-CB 4.13Å; E112-Q155 PolarHBondContact OE2-NE2 3.16Å; V113-Q155 PolarHBondContact N-O 3.39Å; Q155-H157 PolarHBondContact NE2-NE2 2.69Å |
| 156 | I | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.04 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 125.4 | -166.7 | -57.8 | 166.4 | 0 | 0 | 0 | 109.5 | S98 F99 V113 L137 L150 V151 T154 L158 L344 | S98-I156 CarbonylContact C-O 3.43Å; S98-I156 VanDerWaalsContact CA-O 3.27Å; S98-I156 WeakPolarHBondContact CA-O 3.36Å; F99-I156 HydrophobicContact CB-CB 4.15Å; F99-I156 PolarHBondContact N-O 2.92Å; F99-I156 PolarHBondContact O-N 2.92Å; V113-I156 HydrophobicContact CG2-CB 4.1Å; V113-I156 HydrophobicContact CG2-CG1 3.77Å; V113-I156 HydrophobicContact CG2-CG2 4.25Å; V113-I156 CarbonylContact O-C 3.48Å; L137-I156 HydrophobicContact CD1-CD1 4.24Å; L137-I156 HydrophobicContact CD1-CG2 4.43Å; L150-I156 HydrophobicContact CG-CD1 4.44Å; V151-I156 HydrophobicContact CG2-CD1 4.44Å; T154-I156 HydrophobicContact CG2-CG1 3.96Å; I156-L158 HydrophobicContact CG2-CD2 3.89Å; I156-L158 HydrophobicContact CG2-CG 4.19Å; I156-L344 HydrophobicContact CB-CD1 4.4Å; I156-L344 HydrophobicContact CD1-CD1 4.04Å; I156-L344 HydrophobicContact CD1-CD2 3.62Å; I156-L344 HydrophobicContact CD1-CG 4.47Å; I156-L344 HydrophobicContact CG1-CD1 4Å; I156-L344 HydrophobicContact CG1-CD2 3.98Å; I156-L344 HydrophobicContact CG1-CG 4.49Å; I156-L344 HydrophobicContact CG2-CD1 3.6Å |
| 157 | H | 96.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 7.5 Ų | 7.5 | 1% | 0.005 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 124.9 | 179.9 | -69.5 | -116.1 | 0 | 0 | 0 | 112.3 | Y83 V96 V113 K114 F115 Q155 W216 H220 F222 | Y83-H157 AromaticContact CE1-ND1 3.9Å; Y83-H157 AromaticContact CZ-ND1 3.78Å; Y83-H157 PolarHBondContact OH-CE1 3.31Å; Y83-H157 PolarHBondContact OH-ND1 2.97Å; V96-H157 HydrophobicContact CG1-CB 3.98Å; V113-H157 PolarHBondContact O-N 3.24Å; K114-H157 CarbonylContact C-O 3.29Å; K114-H157 VanDerWaalsContact CA-O 3.23Å; K114-H157 WeakPolarHBondContact CA-O 3.21Å; K114-H157 HydrophobicContact CB-CB 4.23Å; F115-H157 PolarHBondContact N-O 2.75Å; Q155-H157 PolarHBondContact NE2-NE2 2.69Å; H157-W216 HydrophobicContact CB-CH2 4.38Å; H157-W216 HydrophobicContact CB-CZ2 3.7Å; H157-H220 AromaticContact CE1-CE1 3.39Å; H157-H220 PolarHBondContact CE1-CE1 2.97Å; H157-H220 AromaticContact CE1-ND1 3.69Å; H157-H220 AromaticContact NE2-CE1 3.94Å; H157-H220 AromaticContact NE2-ND1 3.87Å; H157-F222 HydrophobicContact CB-CE1 4.01Å; H157-F222 HydrophobicContact CB-CZ 4.13Å; H157-F222 AromaticContact CD2-CE1 3.73Å; H157-F222 AromaticContact CG-CE1 3.83Å; H157-F222 AromaticContact CG-CZ 3.93Å |
| 158 | L | 97.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 9.9 Ų | 9.9 | 1% | 0.005 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 111.7 | -174.6 | -59.6 | -176.2 | 0 | 0 | 0 | 110.7 | V96 L97 F99 F115 I130 L133 A134 L137 I156 | V96-L158 WeakPolarHBondContact CA-O 3.31Å; L97-L158 PolarHBondContact N-O 3.24Å; L97-L158 WeakPolarHBondContact O-CB 3.37Å; L97-L158 PolarHBondContact O-N 3.15Å; F99-L158 HydrophobicContact CD2-CD1 4.11Å; F99-L158 HydrophobicContact CE2-CD1 3.95Å; F115-L158 HydrophobicContact CB-CD2 3.98Å; F115-L158 HydrophobicContact CD2-CD2 3.84Å; F115-L158 HydrophobicContact CG-CD2 4.42Å; I130-L158 HydrophobicContact CG2-CB 3.71Å; I130-L158 HydrophobicContact CG2-CD2 4.32Å; I130-L158 HydrophobicContact CG2-CG 4.42Å; L133-L158 HydrophobicContact CD2-CD2 4.04Å; A134-L158 HydrophobicContact CB-CD1 3.71Å; L137-L158 HydrophobicContact CD1-CD1 4.33Å; I156-L158 HydrophobicContact CG2-CD2 3.89Å; I156-L158 HydrophobicContact CG2-CG 4.19Å |
| 159 | M | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 99.2 | 174.5 | -178 | -173.2 | -72.5 | 0 | 0 | 109.6 | I85 V96 F115 V116 G117 I130 S161 A162 I213 W216 | I85-M159 HydrophobicContact CD1-CE 3.38Å; I85-M159 HydrophobicContact CG1-CE 4.06Å; V96-M159 HydrophobicContact CG2-CB 4.1Å; V96-M159 HydrophobicContact CG2-CE 3.52Å; V96-M159 HydrophobicContact CG2-CG 4.26Å; F115-M159 PolarHBondContact O-N 3.39Å; V116-M159 WeakPolarHBondContact CA-O 3.18Å; V116-M159 HydrophobicContact CG1-SD 3.98Å; V116-M159 HydrophobicContact CG2-CB 4.4Å; V116-M159 HydrophobicContact CG2-SD 4.4Å; G117-M159 PolarHBondContact N-O 2.96Å; I130-M159 WeakPolarHBondContact CD1-O 3.44Å; M159-S161 VanDerWaalsContact C-N 3.31Å; M159-S161 PolarHBondContact O-N 3.29Å; M159-A162 HydrophobicContact SD-CB 3.99Å; M159-I213 HydrophobicContact CE-CG1 4.19Å; M159-I213 HydrophobicContact SD-CD1 4.35Å; M159-I213 HydrophobicContact SD-CG1 4.31Å; M159-W216 HydrophobicContact CE-CD2 4.44Å; M159-W216 HydrophobicContact CE-CE3 3.58Å; M159-W216 HydrophobicContact CE-CH2 4.11Å; M159-W216 HydrophobicContact CE-CZ3 3.37Å; M159-W216 HydrophobicContact SD-CZ3 4.37Å |
| 160 | P | 97.5 | Very high | 96 | Very high | 4 Ų | 4 | 12.7 Ų | 12.7 | 3% | 0.026 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -71.7 | -22.1 | -175 | -17.6 | 31.2 | 0 | 0 | 0 | 114.2 | L65 M69 R127 I130 | L65-P160 HydrophobicContact CD1-CB 4.09Å; L65-P160 HydrophobicContact CD1-CG 4.27Å; L65-P160 HydrophobicContact CD2-CB 4.01Å; L65-P160 HydrophobicContact CD2-CG 4.47Å; M69-P160 HydrophobicContact CE-CG 3.81Å; M69-P160 HydrophobicContact CG-CG 4.48Å; M69-P160 HydrophobicContact SD-CG 3.74Å; R127-P160 WeakPolarHBondContact CA-O 3.34Å; R127-P160 WeakPolarHBondContact CB-O 3.08Å; R127-P160 HydrophobicContact CG-CB 4.11Å; R127-P160 WeakPolarHBondContact CG-O 3.31Å; I130-P160 HydrophobicContact CB-CB 4.34Å; I130-P160 HydrophobicContact CG2-CB 4.19Å; I130-P160 HydrophobicContact CG2-CG 3.91Å |
| 161 | S | 97.4 | Very high | 96 | Very high | 8 Ų | 8 | 15.8 Ų | 15.8 | 6% | 0.056 | 9% | 0.087 | C | C | . | . | trans | -150.8 | 110.6 | -178 | -173 | 0 | 0 | 0 | 0 | 111.5 | G117 N118 R127 M159 P164 | G117-S161 WeakPolarHBondContact O-CA 3.26Å; N118-S161 WeakPolarHBondContact OD1-CB 3.42Å; N118-S161 PolarHBondContact OD1-OG 3.47Å; R127-S161 PolarHBondContact NH1-OG 2.81Å; M159-S161 VanDerWaalsContact C-N 3.31Å; M159-S161 PolarHBondContact O-N 3.29Å; S161-P164 WeakPolarHBondContact OG-CA 3.4Å | ||
| 162 | A | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -82 | -27.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V116 G117 N118 M119 M159 P164 I213 | V116-A162 HydrophobicContact CG1-CB 3.93Å; G117-A162 PolarHBondContact O-N 3.17Å; G117-A162 VanDerWaalsContact O-N 3.08Å; N118-A162 PolarHBondContact O-N 2.88Å; M119-A162 HydrophobicContact CB-CB 3.8Å; M159-A162 HydrophobicContact SD-CB 3.99Å; A162-P164 VanDerWaalsContact C-CD 3.46Å; A162-P164 WeakPolarHBondContact O-CD 3.14Å; A162-I213 HydrophobicContact CB-CD1 3.72Å |
| 163 | N | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -122.2 | 70.7 | 177.1 | -174.7 | 5.5 | 0 | 0 | 0 | 111.5 | N118 M119 G121 D165 G166 F167 R181 N182 N183 L189 | N118-N163 WeakPolarHBondContact O-CB 3.38Å; N118-N163 PolarHBondContact O-N 3.13Å; M119-N163 WeakPolarHBondContact O-CB 3.13Å; M119-N163 PolarHBondContact O-ND2 2.81Å; G121-N163 PolarHBondContact N-ND2 2.98Å; N163-D165 PolarHBondContact O-N 2.97Å; N163-G166 PolarHBondContact OD1-N 3.04Å; N163-F167 PolarHBondContact O-N 2.7Å; N163-R181 PolarHBondContact ND2-O 2.78Å; N163-R181 VanDerWaalsContact ND2-O 3.1Å; N163-N182 PolarHBondContact ND2-O 3.2Å; N163-N183 PolarHBondContact ND2-N 3.48Å; N163-L189 HydrophobicContact CB-CD1 3.84Å | ||
| 164 | P | 97.6 | Very high | 95.9 | Very high | 3 Ų | 3 | 20.1 Ų | 20.1 | 2% | 0.019 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65 | -24.4 | 176.9 | 29 | -36.2 | 0 | 0 | 0 | 112 | Y62 R92 L94 S161 A162 F167 E168 | Y62-P164 HydrophobicContact CD2-CB 4.2Å; R92-P164 HydrophobicContact CB-CG 4.14Å; L94-P164 HydrophobicContact CD2-CG 3.87Å; S161-P164 WeakPolarHBondContact OG-CA 3.4Å; A162-P164 VanDerWaalsContact C-CD 3.46Å; A162-P164 WeakPolarHBondContact O-CD 3.14Å; P164-F167 PolarHBondContact O-N 3.34Å; P164-E168 WeakPolarHBondContact O-CG 3.36Å; P164-E168 PolarHBondContact O-N 3.38Å |
| 165 | D | 97.7 | Very high | 95.7 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.011 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -73.6 | -42.6 | -177.4 | -67.6 | -1.1 | 0 | 0 | 0 | 112.6 | S88 V89 A90 R92 N163 F167 L184 | S88-D165 WeakPolarHBondContact CB-OD1 3.45Å; S88-D165 WeakPolarHBondContact CB-OD2 3.36Å; S88-D165 PolarHBondContact OG-OD1 2.68Å; S88-D165 PolarHBondContact OG-OD2 2.92Å; V89-D165 PolarHBondContact N-OD2 3.29Å; A90-D165 VanDerWaalsContact CB-CG 3.48Å; A90-D165 WeakPolarHBondContact CB-OD1 3.2Å; A90-D165 WeakPolarHBondContact CB-OD2 3.28Å; A90-D165 PolarHBondContact N-OD2 2.93Å; R92-D165 WeakPolarHBondContact CD-OD1 3.46Å; R92-D165 IonicContact CZ-OD1 3.65Å; R92-D165 IonicContact NE-OD1 3.04Å; R92-D165 IonicContact NH1-OD1 3.91Å; R92-D165 PolarHBondContact NH1-OD1 2.87Å; N163-D165 PolarHBondContact O-N 2.97Å; D165-F167 VanDerWaalsContact C-N 3.33Å; D165-L184 HydrophobicContact CB-CB 4.06Å |
| 166 | G | 96.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65 | -37.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | N163 I169 S170 G180 | N163-G166 PolarHBondContact OD1-N 3.04Å; G166-I169 VanDerWaalsContact O-CG1 3.28Å; G166-I169 WeakPolarHBondContact O-CG1 3.47Å; G166-I169 PolarHBondContact O-N 2.98Å; G166-S170 PolarHBondContact O-N 3.42Å; G166-G180 CarbonylContact C-O 3.58Å; G166-G180 VanDerWaalsContact CA-O 3.26Å; G166-G180 WeakPolarHBondContact CA-O 3.25Å; G166-G180 WeakPolarHBondContact O-CA 3.39Å |
| 167 | F | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.8 | -50.4 | 176.8 | 178 | -85.9 | 0 | 0 | 0 | 111.8 | H61 G121 A124 N163 P164 D165 I169 S170 Y323 | H61-F167 AromaticContact ND1-CE1 3.94Å; G121-F167 VanDerWaalsContact O-CA 3.25Å; G121-F167 WeakPolarHBondContact O-CA 3.49Å; G121-F167 WeakPolarHBondContact O-CB 3.48Å; G121-F167 WeakPolarHBondContact O-CD2 3.46Å; A124-F167 HydrophobicContact CB-CD2 4.34Å; A124-F167 HydrophobicContact CB-CE2 3.91Å; N163-F167 PolarHBondContact O-N 2.7Å; P164-F167 PolarHBondContact O-N 3.34Å; D165-F167 VanDerWaalsContact C-N 3.33Å; F167-I169 PolarHBondContact O-N 3Å; F167-I169 VanDerWaalsContact O-N 3.1Å; F167-S170 PolarHBondContact O-N 3.03Å; F167-S170 PolarHBondContact O-OG 2.78Å; F167-Y323 HydrophobicContact CE2-CE2 4.32Å; F167-Y323 WeakPolarHBondContact CZ-OH 3.35Å |
| 168 | E | 96.6 | Very high | 94.7 | Very high | 52 Ų | 52 | 34.1 Ų | 34.1 | 24% | 0.243 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -8 | -177.1 | -62.9 | -58.4 | 149.3 | 0 | 0 | 114.8 | H61 Y62 R127 P164 | H61-E168 WeakPolarHBondContact CA-OE1 3.19Å; H61-E168 IonicContact CE1-OE2 3.55Å; H61-E168 IonicContact CG-OE2 3.15Å; H61-E168 IonicContact ND1-OE1 3.7Å; H61-E168 IonicContact ND1-OE2 3.59Å; H61-E168 PolarHBondContact ND1-OE2 3.28Å; Y62-E168 WeakPolarHBondContact CB-OE1 3.36Å; Y62-E168 PolarHBondContact N-OE1 3.1Å; R127-E168 IonicContact NH2-OE1 3.44Å; P164-E168 WeakPolarHBondContact O-CG 3.36Å; P164-E168 PolarHBondContact O-N 3.38Å |
| 169 | I | 95.2 | Very high | 94.5 | Very high | 94 Ų | 94 | 39.8 Ų | 39.8 | 48% | 0.482 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -3.6 | 172.5 | 66.9 | 170.8 | 0 | 0 | 0 | 113.7 | G166 F167 I179 | G166-I169 VanDerWaalsContact O-CG1 3.28Å; G166-I169 WeakPolarHBondContact O-CG1 3.47Å; G166-I169 PolarHBondContact O-N 2.98Å; F167-I169 PolarHBondContact O-N 3Å; F167-I169 VanDerWaalsContact O-N 3.1Å; I169-I179 WeakPolarHBondContact O-CG2 3.41Å |
| 170 | S | 94.9 | Very high | 94.4 | Very high | 18 Ų | 18 | 40 Ų | 40 | 13% | 0.126 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -89.7 | 166.5 | 175.9 | 69.7 | 0 | 0 | 0 | 0 | 111.9 | G166 F167 I179 Y323 | G166-S170 PolarHBondContact O-N 3.42Å; F167-S170 PolarHBondContact O-N 3.03Å; F167-S170 PolarHBondContact O-OG 2.78Å; S170-I179 WeakPolarHBondContact CB-O 3.09Å; S170-Y323 VanDerWaalsContact OG-CE2 3.26Å; S170-Y323 WeakPolarHBondContact OG-CE2 3.46Å |
| 171 | S | 93.4 | Very high | 94.3 | Very high | 67 Ų | 67 | 41.4 Ų | 41.4 | 47% | 0.469 | 24% | 0.242 | S | C | . | . | trans | -129.8 | 134.4 | -170.2 | 58.8 | 0 | 0 | 0 | 0 | 113.9 | G173 D174 Y323 | S171-G173 PolarHBondContact O-N 3.44Å; S171-D174 WeakPolarHBondContact O-CB 3.45Å; S171-D174 PolarHBondContact O-N 2.92Å; S171-Y323 WeakPolarHBondContact O-CD2 3.39Å | ||
| 172 | E | 94.4 | Very high | 94.3 | Very high | 104 Ų | 104 | 42.6 Ų | 42.6 | 49% | 0.486 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 133.2 | 177.1 | -166.5 | -173.2 | 130.2 | 0 | 0 | 112.5 | Y59 Y323 P324 R325 G326 | Y59-E172 HydrophobicContact CD2-CG 4.28Å; Y59-E172 HydrophobicContact CE2-CG 4.24Å; E172-Y323 HydrophobicContact CB-CD1 4.15Å; E172-Y323 HydrophobicContact CB-CE1 3.86Å; E172-Y323 HydrophobicContact CG-CD1 4.12Å; E172-Y323 HydrophobicContact CG-CE1 3.96Å; E172-P324 WeakPolarHBondContact CG-O 3.4Å; E172-R325 VanDerWaalsContact OE1-CA 3.3Å; E172-R325 WeakPolarHBondContact OE1-CA 3.4Å; E172-G326 VanDerWaalsContact CD-N 3.33Å; E172-G326 PolarHBondContact OE1-N 3.41Å |
| 173 | G | 92.3 | Very high | 94.2 | Very high | 31 Ų | 31 | 42.8 Ų | 42.8 | 32% | 0.32 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | 5.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | S171 T175 Y323 | S171-G173 PolarHBondContact O-N 3.44Å; G173-T175 PolarHBondContact O-N 3.28Å; G173-Y323 CarbonylContact C-O 3.58Å; G173-Y323 WeakPolarHBondContact CA-O 3.29Å; G173-Y323 PolarHBondContact N-O 3.36Å |
| 174 | D | 91.8 | Very high | 94.1 | Very high | 32 Ų | 32 | 47 Ų | 47 | 17% | 0.171 | 27% | 0.271 | C | S | . | . | trans | -71.3 | 113.7 | 168.8 | -175.9 | 7.3 | 0 | 0 | 0 | 110.7 | S171 S176 G177 Y323 | S171-D174 WeakPolarHBondContact O-CB 3.45Å; S171-D174 PolarHBondContact O-N 2.92Å; D174-S176 PolarHBondContact OD1-N 2.96Å; D174-G177 WeakPolarHBondContact OD1-CA 3.42Å; D174-G177 PolarHBondContact OD1-N 2.86Å; D174-G177 WeakPolarHBondContact OD2-CA 3.4Å; D174-G177 PolarHBondContact OD2-N 2.87Å; D174-Y323 PolarHBondContact N-O 2.92Å; D174-Y323 PolarHBondContact O-N 2.7Å | ||
| 175 | T | 89.8 | Confident | 93.9 | Very high | 79 Ų | 79 | 52.2 Ų | 52.2 | 49% | 0.485 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -73 | -35 | 179.2 | 50.9 | 0 | 0 | 0 | 0 | 113.4 | G173 V321 K322 | G173-T175 PolarHBondContact O-N 3.28Å; T175-V321 HydrophobicContact CG2-CG1 4.22Å; T175-K322 PolarHBondContact O-N 2.87Å |
| 176 | S | 87.8 | Confident | 93.8 | Very high | 80 Ų | 80 | 58 Ų | 58 | 56% | 0.559 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -154.5 | -9.9 | -155.7 | 50 | 0 | 0 | 0 | 0 | 115.5 | D174 K322 | D174-S176 PolarHBondContact OD1-N 2.96Å; S176-K322 PolarHBondContact O-NZ 3.34Å |
| 177 | G | 88 | Confident | 93.7 | Very high | 23 Ų | 23 | 59.5 Ų | 59.5 | 24% | 0.237 | 34% | 0.335 | C | S | . | . | trans | -65.5 | -174.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | N122 D174 K322 | N122-G177 PolarHBondContact ND2-O 3.35Å; D174-G177 WeakPolarHBondContact OD1-CA 3.42Å; D174-G177 PolarHBondContact OD1-N 2.86Å; D174-G177 WeakPolarHBondContact OD2-CA 3.4Å; D174-G177 PolarHBondContact OD2-N 2.87Å; G177-K322 WeakPolarHBondContact O-CD 3.23Å; G177-K322 PolarHBondContact O-NZ 2.88Å | ||
| 178 | L | 90.7 | Very high | 93.7 | Very high | 118 Ų | 118 | 60.2 Ų | 60.2 | 62% | 0.618 | 34% | 0.339 | S | S | * | . | trans | -130 | -3.1 | -171.6 | -58.1 | 174.1 | 0 | 0 | 0 | 112.8 | G180 R181 | L178-G180 PolarHBondContact O-N 2.99Å; L178-R181 WeakPolarHBondContact O-CB 3.29Å; L178-R181 PolarHBondContact O-N 2.9Å | ||
| 179 | I | 93.5 | Very high | 93.7 | Very high | 120 Ų | 120 | 57.8 Ų | 57.8 | 62% | 0.615 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | 118.4 | 178.1 | -58.5 | 177.9 | 0 | 0 | 0 | 107.8 | N122 I169 S170 R181 | N122-I179 WeakPolarHBondContact CB-O 3.39Å; I169-I179 WeakPolarHBondContact O-CG2 3.41Å; S170-I179 WeakPolarHBondContact CB-O 3.09Å; I179-R181 VanDerWaalsContact C-N 3.33Å |
| 180 | G | 94.5 | Very high | 93.8 | Very high | 6 Ų | 6 | 53.5 Ų | 53.5 | 6% | 0.062 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | 5.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | G121 N122 G166 L178 | G121-G180 CarbonylContact C-O 3.52Å; G121-G180 VanDerWaalsContact C-O 3.3Å; G121-G180 WeakPolarHBondContact CA-O 3.21Å; G121-G180 PolarHBondContact N-O 2.85Å; N122-G180 PolarHBondContact N-O 3.07Å; G166-G180 CarbonylContact C-O 3.58Å; G166-G180 VanDerWaalsContact CA-O 3.26Å; G166-G180 WeakPolarHBondContact CA-O 3.25Å; G166-G180 WeakPolarHBondContact O-CA 3.39Å; L178-G180 PolarHBondContact O-N 2.99Å |
| 181 | R | 97 | Very high | 93.9 | Very high | 32 Ų | 32 | 54.9 Ų | 54.9 | 12% | 0.121 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -54.7 | 168.8 | -179.8 | -177.5 | 169.6 | 75.4 | 8.2 | 110.4 | H120 G121 N122 E123 N163 L178 I179 D188 | H120-R181 VanDerWaalsContact CA-O 3.25Å; H120-R181 WeakPolarHBondContact CA-O 3.27Å; H120-R181 HydrophobicContact CB-CG 3.99Å; H120-R181 PolarHBondContact CD2-NH2 3.08Å; H120-R181 PolarHBondContact CE1-NH1 3.07Å; H120-R181 VanDerWaalsContact CE1-NH1 3.29Å; H120-R181 PolarHBondContact CE1-NH2 3.09Å; H120-R181 PolarHBondContact ND1-NH1 3.49Å; H120-R181 VanDerWaalsContact ND1-NH1 3.14Å; H120-R181 PolarHBondContact NE2-NH2 2.88Å; G121-R181 PolarHBondContact N-O 2.8Å; N122-R181 WeakPolarHBondContact OD1-CA 3.43Å; N122-R181 WeakPolarHBondContact OD1-CB 3.41Å; E123-R181 IonicContact OE1-NH1 2.76Å; E123-R181 PolarHBondContact OE1-NH1 3.47Å; N163-R181 PolarHBondContact ND2-O 2.78Å; N163-R181 VanDerWaalsContact ND2-O 3.1Å; L178-R181 WeakPolarHBondContact O-CB 3.29Å; L178-R181 PolarHBondContact O-N 2.9Å; I179-R181 VanDerWaalsContact C-N 3.33Å; R181-D188 IonicContact CZ-OD2 3.23Å; R181-D188 IonicContact NE-OD2 2.79Å; R181-D188 PolarHBondContact NE-OD2 3.41Å; R181-D188 IonicContact NH2-OD1 2.65Å; R181-D188 IonicContact NH2-OD2 3.71Å; R181-D188 PolarHBondContact NH2-OD2 3.07Å |
| 182 | N | 97 | Very high | 94.1 | Very high | 33 Ų | 33 | 51.7 Ų | 51.7 | 18% | 0.176 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -77.5 | 168.2 | -178.1 | -65.7 | 19.6 | 0 | 0 | 0 | 110.9 | N163 N186 V187 | N163-N182 PolarHBondContact ND2-O 3.2Å; N182-N186 PolarHBondContact ND2-O 3.41Å; N182-V187 CarbonylContact C-O 3.25Å; N182-V187 VanDerWaalsContact CA-O 3.3Å; N182-V187 WeakPolarHBondContact CA-O 3.43Å; N182-V187 VanDerWaalsContact CB-O 3.28Å; N182-V187 WeakPolarHBondContact CB-O 3.4Å |
| 183 | N | 95.5 | Very high | 94.3 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | trans | -73.8 | -176.7 | 172.1 | 83.1 | -15 | 0 | 0 | 0 | 111.5 | V89 N163 H185 N186 V187 L189 E207 E209 | V89-N183 WeakPolarHBondContact CG2-ND2 3.4Å; N163-N183 PolarHBondContact ND2-N 3.48Å; N183-H185 PolarHBondContact O-N 3.47Å; N183-H185 PolarHBondContact OD1-N 2.9Å; N183-H185 VanDerWaalsContact OD1-N 3.09Å; N183-N186 WeakPolarHBondContact O-CA 3.28Å; N183-N186 PolarHBondContact O-N 2.88Å; N183-N186 PolarHBondContact OD1-N 3.11Å; N183-V187 PolarHBondContact N-O 2.76Å; N183-V187 PolarHBondContact OD1-N 2.79Å; N183-V187 VanDerWaalsContact OD1-N 3.14Å; N183-L189 HydrophobicContact CB-CD2 3.98Å; N183-L189 HydrophobicContact CB-CG 4.3Å; N183-E207 WeakPolarHBondContact ND2-CG 3.36Å; N183-E207 PolarHBondContact ND2-OE2 3.25Å; N183-E209 PolarHBondContact ND2-OE2 3.07Å | ||
| 184 | L | 95.2 | Very high | 94.5 | Very high | 89 Ų | 89 | 47.7 Ų | 47.7 | 47% | 0.466 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -23.8 | -177.4 | -174.9 | 55.9 | 0 | 0 | 0 | 114.3 | V89 A90 D165 N186 | V89-L184 HydrophobicContact CB-CB 3.99Å; V89-L184 HydrophobicContact CG1-CB 3.88Å; V89-L184 HydrophobicContact CG1-CD2 4.07Å; V89-L184 HydrophobicContact CG1-CG 4.16Å; A90-L184 HydrophobicContact CB-CD2 3.81Å; D165-L184 HydrophobicContact CB-CB 4.06Å; L184-N186 PolarHBondContact O-N 3Å |
| 185 | H | 94.5 | Very high | 94.5 | Very high | 113 Ų | 113 | 47.3 Ų | 47.3 | 52% | 0.523 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 5.4 | 170.2 | -67.7 | 146.4 | 0 | 0 | 0 | 113.4 | V89 N183 V187 E207 | V89-H185 VanDerWaalsContact CG1-CE1 3.47Å; V89-H185 WeakPolarHBondContact CG1-CE1 3.48Å; V89-H185 WeakPolarHBondContact CG1-NE2 3.33Å; V89-H185 WeakPolarHBondContact CG2-ND1 3.41Å; N183-H185 PolarHBondContact O-N 3.47Å; N183-H185 PolarHBondContact OD1-N 2.9Å; N183-H185 VanDerWaalsContact OD1-N 3.09Å; H185-V187 VanDerWaalsContact C-N 3.31Å; H185-V187 HydrophobicContact CB-CG2 4.33Å; H185-V187 PolarHBondContact O-N 3.34Å; H185-E207 IonicContact CE1-OE2 3.38Å; H185-E207 IonicContact CG-OE2 2.74Å; H185-E207 IonicContact ND1-OE1 3.09Å; H185-E207 IonicContact ND1-OE2 3.49Å; H185-E207 PolarHBondContact ND1-OE2 3.49Å |
| 186 | N | 94.2 | Very high | 94.6 | Very high | 124 Ų | 124 | 47.7 Ų | 47.7 | 66% | 0.663 | 26% | 0.257 | S | S | * | . | S | Bend | trans | 62.4 | 32 | -175.2 | -166.9 | 57.7 | 0 | 0 | 0 | 113.8 | N182 N183 L184 | N182-N186 PolarHBondContact ND2-O 3.41Å; N183-N186 WeakPolarHBondContact O-CA 3.28Å; N183-N186 PolarHBondContact O-N 2.88Å; N183-N186 PolarHBondContact OD1-N 3.11Å; L184-N186 PolarHBondContact O-N 3Å |
| 187 | V | 95.2 | Very high | 94.7 | Very high | 31 Ų | 31 | 47.3 Ų | 47.3 | 19% | 0.188 | 25% | 0.245 | C | C | . | . | trans | -98 | 135.7 | 171.2 | -178.2 | 0 | 0 | 0 | 0 | 110.7 | N182 N183 H185 L189 N192 E207 | N182-V187 CarbonylContact C-O 3.25Å; N182-V187 VanDerWaalsContact CA-O 3.3Å; N182-V187 WeakPolarHBondContact CA-O 3.43Å; N182-V187 VanDerWaalsContact CB-O 3.28Å; N182-V187 WeakPolarHBondContact CB-O 3.4Å; N183-V187 PolarHBondContact N-O 2.76Å; N183-V187 PolarHBondContact OD1-N 2.79Å; N183-V187 VanDerWaalsContact OD1-N 3.14Å; H185-V187 VanDerWaalsContact C-N 3.31Å; H185-V187 HydrophobicContact CB-CG2 4.33Å; H185-V187 PolarHBondContact O-N 3.34Å; V187-L189 PolarHBondContact O-N 3.47Å; V187-N192 HydrophobicContact CG1-CB 4.02Å; V187-E207 HydrophobicContact CB-CG 3.78Å; V187-E207 HydrophobicContact CG1-CG 3.86Å; V187-E207 HydrophobicContact CG2-CG 3.99Å | ||
| 188 | D | 96.6 | Very high | 94.7 | Very high | 15 Ų | 15 | 47.8 Ų | 47.8 | 8% | 0.08 | 25% | 0.251 | C | S | . | . | trans | -76.9 | 111.9 | 171.8 | -171.8 | -35.1 | 0 | 0 | 0 | 109.2 | H120 R181 N190 R191 N192 | H120-D188 IonicContact CD2-OD1 3.73Å; H120-D188 IonicContact NE2-OD1 3.67Å; H120-D188 PolarHBondContact NE2-OD1 3.39Å; R181-D188 IonicContact CZ-OD2 3.23Å; R181-D188 IonicContact NE-OD2 2.79Å; R181-D188 PolarHBondContact NE-OD2 3.41Å; R181-D188 IonicContact NH2-OD1 2.65Å; R181-D188 IonicContact NH2-OD2 3.71Å; R181-D188 PolarHBondContact NH2-OD2 3.07Å; D188-N190 PolarHBondContact O-N 3.42Å; D188-N190 PolarHBondContact OD1-N 2.04Å; D188-R191 HydrophobicContact CB-CB 4.24Å; D188-R191 HydrophobicContact CB-CG 3.98Å; D188-R191 PolarHBondContact O-N 3.04Å; D188-N192 WeakPolarHBondContact O-CB 3.36Å; D188-N192 PolarHBondContact O-N 2.87Å | ||
| 189 | L | 97.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -61.7 | -32.5 | -176.7 | -61.8 | -172 | 0 | 0 | 0 | 112.2 | N163 N183 V187 R191 N192 F193 E207 E209 | N163-L189 HydrophobicContact CB-CD1 3.84Å; N183-L189 HydrophobicContact CB-CD2 3.98Å; N183-L189 HydrophobicContact CB-CG 4.3Å; V187-L189 PolarHBondContact O-N 3.47Å; L189-R191 PolarHBondContact O-N 2.92Å; L189-N192 PolarHBondContact O-N 3.11Å; L189-F193 VanDerWaalsContact O-CD2 3.29Å; L189-F193 WeakPolarHBondContact O-CD2 3.29Å; L189-F193 WeakPolarHBondContact O-CE2 3.46Å; L189-E207 HydrophobicContact CD2-CB 3.97Å; L189-E207 HydrophobicContact CD2-CG 4.36Å; L189-E209 HydrophobicContact CD1-CB 3.68Å; L189-E209 HydrophobicContact CD1-CG 4.1Å; L189-E209 HydrophobicContact CD2-CB 4.18Å |
| 190 | N | 96.5 | Very high | 94.2 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -85 | 18.8 | 177.7 | -152.5 | 23.9 | 0 | 0 | 0 | 112.6 | M119 H120 D188 H229 G299 G300 M301 | M119-N190 HydrophobicContact SD-CB 3.62Å; M119-N190 VanDerWaalsContact SD-CG 3.51Å; H120-N190 WeakPolarHBondContact NE2-CB 3.44Å; D188-N190 PolarHBondContact O-N 3.42Å; D188-N190 PolarHBondContact OD1-N 2.04Å; N190-H229 PolarHBondContact ND2-CE1 3.44Å; N190-G299 CarbonylContact C-O 3.23Å; N190-G300 VanDerWaalsContact OD1-CA 3.28Å; N190-G300 WeakPolarHBondContact OD1-CA 3.49Å; N190-M301 PolarHBondContact OD1-N 3.44Å |
| 191 | R | 96.9 | Very high | 93.9 | Very high | 47 Ų | 47 | 52.2 Ų | 52.2 | 18% | 0.177 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -125.6 | 0.4 | 163.8 | -57.4 | -63.3 | 179.3 | -76.2 | -4.4 | 112.5 | D188 L189 E202 L297 Q298 G299 | D188-R191 HydrophobicContact CB-CB 4.24Å; D188-R191 HydrophobicContact CB-CG 3.98Å; D188-R191 PolarHBondContact O-N 3.04Å; L189-R191 PolarHBondContact O-N 2.92Å; R191-E202 HydrophobicContact CB-CB 3.77Å; R191-E202 HydrophobicContact CB-CG 3.96Å; R191-E202 WeakPolarHBondContact O-CB 3.3Å; R191-L297 VanDerWaalsContact NH1-CD1 3.35Å; R191-Q298 VanDerWaalsContact CD-O 3.27Å; R191-Q298 WeakPolarHBondContact CD-O 3.07Å; R191-G299 CarbonylContact C-O 3.6Å; R191-G299 VanDerWaalsContact CA-O 3.28Å; R191-G299 WeakPolarHBondContact CA-O 3.47Å; R191-G299 PolarHBondContact N-O 2.93Å |
| 192 | N | 97.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | trans | -103 | -9.2 | -167.2 | -177.5 | -107.5 | 0 | 0 | 0 | 113.8 | V187 D188 L189 E202 N203 V205 Q206 E207 T210 G299 | V187-N192 HydrophobicContact CG1-CB 4.02Å; D188-N192 WeakPolarHBondContact O-CB 3.36Å; D188-N192 PolarHBondContact O-N 2.87Å; L189-N192 PolarHBondContact O-N 3.11Å; N192-E202 PolarHBondContact ND2-O 3.31Å; N192-N203 WeakPolarHBondContact O-CB 3.42Å; N192-V205 PolarHBondContact ND2-O 2.78Å; N192-Q206 PolarHBondContact O-NE2 3.15Å; N192-Q206 WeakPolarHBondContact OD1-CA 3.43Å; N192-E207 PolarHBondContact OD1-N 3.02Å; N192-T210 HydrophobicContact CB-CG2 4.44Å; N192-T210 WeakPolarHBondContact OD1-CB 3.34Å; N192-T210 WeakPolarHBondContact OD1-CG2 3.38Å; N192-T210 PolarHBondContact OD1-OG1 3.21Å; N192-G299 PolarHBondContact N-O 2.79Å | ||
| 193 | F | 97.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -70 | 151 | 172.4 | -67.3 | -99.8 | 0 | 0 | 0 | 110.7 | L189 N203 T210 I213 M214 G299 M301 W304 | L189-F193 VanDerWaalsContact O-CD2 3.29Å; L189-F193 WeakPolarHBondContact O-CD2 3.29Å; L189-F193 WeakPolarHBondContact O-CE2 3.46Å; F193-N203 VanDerWaalsContact O-CB 3.24Å; F193-N203 WeakPolarHBondContact O-CB 3.35Å; F193-N203 PolarHBondContact O-ND2 3.49Å; F193-T210 HydrophobicContact CD1-CG2 3.83Å; F193-T210 HydrophobicContact CD2-CG2 3.89Å; F193-T210 HydrophobicContact CE1-CG2 3.88Å; F193-T210 HydrophobicContact CE2-CG2 3.92Å; F193-T210 HydrophobicContact CG-CG2 3.83Å; F193-T210 HydrophobicContact CZ-CG2 3.92Å; F193-I213 HydrophobicContact CE1-CG2 4.08Å; F193-I213 HydrophobicContact CZ-CB 4.4Å; F193-I213 HydrophobicContact CZ-CG2 3.99Å; F193-M214 HydrophobicContact CD1-CG 3.73Å; F193-M214 HydrophobicContact CD1-SD 4.28Å; F193-M214 HydrophobicContact CE1-CG 3.82Å; F193-G299 WeakPolarHBondContact CB-O 3.14Å; F193-G299 PolarHBondContact N-O 2.75Å; F193-G299 WeakPolarHBondContact O-CA 3.43Å; F193-M301 HydrophobicContact CD1-CG 4.49Å; F193-M301 HydrophobicContact CD2-CB 4Å; F193-M301 HydrophobicContact CE1-CB 4.17Å; F193-M301 HydrophobicContact CE1-CG 3.83Å; F193-M301 HydrophobicContact CE1-SD 4.36Å; F193-M301 HydrophobicContact CE2-CB 3.59Å; F193-M301 HydrophobicContact CE2-CG 4.07Å; F193-M301 HydrophobicContact CE2-SD 4.5Å; F193-M301 HydrophobicContact CG-CB 4.47Å; F193-M301 HydrophobicContact CZ-CB 3.69Å; F193-M301 HydrophobicContact CZ-CG 3.6Å; F193-M301 HydrophobicContact CZ-SD 3.81Å; F193-W304 HydrophobicContact CB-CB 4.04Å; F193-W304 HydrophobicContact CB-CG 4.13Å; F193-W304 HydrophobicContact CD1-CB 4.29Å; F193-W304 AromaticContact CD1-CD2 3.94Å; F193-W304 HydrophobicContact CD1-CD2 3.94Å; F193-W304 HydrophobicContact CD1-CE3 4.08Å; F193-W304 HydrophobicContact CD1-CG 4.01Å; F193-W304 HydrophobicContact CE1-CE3 4.34Å; F193-W304 HydrophobicContact CG-CB 4.44Å; F193-W304 HydrophobicContact CG-CG 4.49Å |
| 194 | P | 96.5 | Very high | 93.1 | Very high | 50 Ų | 50 | 56.8 Ų | 56.8 | 33% | 0.325 | 29% | 0.294 | S | S | . | . | trans | -58 | 140.5 | 169.7 | -23.2 | 33.3 | 0 | 0 | 0 | 111.8 | M214 | P194-M214 HydrophobicContact CG-CE 3.68Å; P194-M214 HydrophobicContact CG-SD 4.21Å | ||
| 195 | D | 92.4 | Very high | 93 | Very high | 23 Ų | 23 | 57.1 Ų | 57.1 | 12% | 0.123 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -118 | 152.7 | -175.7 | -164.4 | -79.5 | 0 | 0 | 0 | 112.4 | F197 G198 Q298 G299 | D195-F197 PolarHBondContact O-N 3.26Å; D195-F197 WeakPolarHBondContact OD1-CB 3.26Å; D195-F197 WeakPolarHBondContact OD1-CD2 3.27Å; D195-F197 PolarHBondContact OD1-N 3.07Å; D195-G198 PolarHBondContact O-N 2.89Å; D195-Q298 VanDerWaalsContact OD2-CA 3.29Å; D195-Q298 WeakPolarHBondContact OD2-CA 3.47Å; D195-G299 PolarHBondContact OD2-N 3.36Å |
| 196 | Q | 91.6 | Very high | 93.1 | Very high | 87 Ų | 87 | 53.2 Ų | 53.2 | 41% | 0.407 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -26 | 175.7 | 62.3 | 179.6 | -48.3 | 0 | 0 | 113.6 | L307 | Q196-L307 HydrophobicContact CB-CD1 3.87Å; Q196-L307 HydrophobicContact CG-CD1 4.14Å |
| 197 | F | 90.7 | Very high | 93.2 | Very high | 72 Ų | 72 | 48.3 Ų | 48.3 | 32% | 0.316 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -2.3 | 178.2 | -52.4 | -59.6 | 0 | 0 | 0 | 113.2 | D195 G241 A243 Q298 | D195-F197 PolarHBondContact O-N 3.26Å; D195-F197 WeakPolarHBondContact OD1-CB 3.26Å; D195-F197 WeakPolarHBondContact OD1-CD2 3.27Å; D195-F197 PolarHBondContact OD1-N 3.07Å; F197-G241 VanDerWaalsContact CE2-C 3.44Å; F197-A243 VanDerWaalsContact CD1-CA 3.46Å; F197-A243 HydrophobicContact CD1-CB 3.53Å; F197-A243 HydrophobicContact CE1-CB 3.92Å; F197-A243 HydrophobicContact CG-CB 4.18Å; F197-Q298 HydrophobicContact CD2-CG 4.2Å |
| 198 | G | 87.4 | Confident | 93.3 | Very high | 34 Ų | 34 | 48.9 Ų | 48.9 | 35% | 0.351 | 26% | 0.259 | S | S | . | . | B | Isolated β-bridge | trans | 118.6 | -141.7 | 170 | 0 | 0 | 0 | 0 | 0 | 114.2 | D195 N203 | D195-G198 PolarHBondContact O-N 2.89Å; G198-N203 PolarHBondContact O-ND2 3.36Å |
| 199 | K | 87.6 | Confident | 93.4 | Very high | 154 Ų | 154 | 48.1 Ų | 48.1 | 67% | 0.67 | 26% | 0.255 | S | S | * | . | trans | -106.9 | 116.7 | -177.8 | -72.9 | -166.5 | 166.2 | -149.5 | 0 | 112.5 | N203 V204 | K199-N203 WeakPolarHBondContact CA-OD1 3.33Å; K199-V204 PolarHBondContact NZ-O 2.73Å | ||
| 200 | T | 87.2 | Confident | 93.4 | Very high | 23 Ų | 23 | 48.1 Ų | 48.1 | 14% | 0.141 | 26% | 0.255 | C | S | . | . | trans | -82.6 | 171.4 | 165.9 | 67 | 0 | 0 | 0 | 0 | 110.1 | E202 N203 V204 Q298 | T200-E202 VanDerWaalsContact C-N 3.28Å; T200-E202 PolarHBondContact O-N 2.97Å; T200-E202 PolarHBondContact OG1-N 2.89Å; T200-N203 PolarHBondContact N-OD1 3.31Å; T200-N203 PolarHBondContact O-N 2.67Å; T200-N203 PolarHBondContact O-OD1 3.07Å; T200-N203 PolarHBondContact OG1-N 2.71Å; T200-N203 VanDerWaalsContact OG1-N 3.1Å; T200-N203 PolarHBondContact OG1-OD1 3.41Å; T200-V204 WeakPolarHBondContact O-CG2 3.37Å; T200-V204 PolarHBondContact O-N 2.91Å; T200-Q298 HydrophobicContact CG2-CB 3.97Å | ||
| 201 | N | 87.2 | Confident | 93.4 | Very high | 159 Ų | 159 | 53.3 Ų | 53.3 | 85% | 0.85 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -35.7 | 171.6 | -72 | -32.1 | 0 | 0 | 0 | 111.7 | ||
| 202 | E | 88.9 | Confident | 93.5 | Very high | 92 Ų | 92 | 52.7 Ų | 52.7 | 43% | 0.43 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -31.9 | 178.4 | -64.4 | 96.6 | 154.8 | 0 | 0 | 113.8 | R191 N192 T200 | R191-E202 HydrophobicContact CB-CB 3.77Å; R191-E202 HydrophobicContact CB-CG 3.96Å; R191-E202 WeakPolarHBondContact O-CB 3.3Å; N192-E202 PolarHBondContact ND2-O 3.31Å; T200-E202 VanDerWaalsContact C-N 3.28Å; T200-E202 PolarHBondContact O-N 2.97Å; T200-E202 PolarHBondContact OG1-N 2.89Å |
| 203 | N | 93.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 10.7 | -176.6 | 80.6 | 6.2 | 0 | 0 | 0 | 115.4 | N192 F193 G198 K199 T200 V205 Q206 | N192-N203 WeakPolarHBondContact O-CB 3.42Å; F193-N203 VanDerWaalsContact O-CB 3.24Å; F193-N203 WeakPolarHBondContact O-CB 3.35Å; F193-N203 PolarHBondContact O-ND2 3.49Å; G198-N203 PolarHBondContact O-ND2 3.36Å; K199-N203 WeakPolarHBondContact CA-OD1 3.33Å; T200-N203 PolarHBondContact N-OD1 3.31Å; T200-N203 PolarHBondContact O-N 2.67Å; T200-N203 PolarHBondContact O-OD1 3.07Å; T200-N203 PolarHBondContact OG1-N 2.71Å; T200-N203 VanDerWaalsContact OG1-N 3.1Å; T200-N203 PolarHBondContact OG1-OD1 3.41Å; N203-V205 PolarHBondContact O-N 3.19Å; N203-Q206 PolarHBondContact O-NE2 3.12Å |
| 204 | V | 91.8 | Very high | 93.5 | Very high | 72 Ų | 72 | 54.3 Ų | 54.3 | 44% | 0.436 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -55.6 | -41.2 | 174.1 | -172.2 | 0 | 0 | 0 | 0 | 111.1 | K199 T200 | K199-V204 PolarHBondContact NZ-O 2.73Å; T200-V204 WeakPolarHBondContact O-CG2 3.37Å; T200-V204 PolarHBondContact O-N 2.91Å |
| 205 | V | 92.6 | Very high | 93.5 | Very high | 96 Ų | 96 | 56.8 Ų | 56.8 | 58% | 0.582 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -130.5 | 117.4 | -179.6 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | N192 N203 | N192-V205 PolarHBondContact ND2-O 2.78Å; N203-V205 PolarHBondContact O-N 3.19Å |
| 206 | Q | 96.4 | Very high | 93.6 | Very high | 32 Ų | 32 | 55.8 Ų | 55.8 | 15% | 0.15 | 29% | 0.288 | C | S | . | . | trans | -67.7 | 137.1 | 175.4 | -76.3 | 53.1 | 57.8 | 0 | 0 | 110.3 | N192 N203 T210 K211 M214 | N192-Q206 PolarHBondContact O-NE2 3.15Å; N192-Q206 WeakPolarHBondContact OD1-CA 3.43Å; N203-Q206 PolarHBondContact O-NE2 3.12Å; Q206-T210 HydrophobicContact CB-CG2 4.43Å; Q206-T210 HydrophobicContact CG-CG2 4.15Å; Q206-K211 HydrophobicContact CB-CG 3.6Å; Q206-K211 PolarHBondContact O-NZ 2.85Å; Q206-M214 HydrophobicContact CG-SD 3.77Å | ||
| 207 | E | 97 | Very high | 93.7 | Very high | 21 Ų | 21 | 51.7 Ų | 51.7 | 10% | 0.098 | 27% | 0.268 | C | S | . | . | trans | -71.4 | 164 | 173.1 | -75.1 | -60 | 103.4 | 0 | 0 | 112 | N183 H185 V187 L189 N192 E209 T210 K211 | N183-E207 WeakPolarHBondContact ND2-CG 3.36Å; N183-E207 PolarHBondContact ND2-OE2 3.25Å; H185-E207 IonicContact CE1-OE2 3.38Å; H185-E207 IonicContact CG-OE2 2.74Å; H185-E207 IonicContact ND1-OE1 3.09Å; H185-E207 IonicContact ND1-OE2 3.49Å; H185-E207 PolarHBondContact ND1-OE2 3.49Å; V187-E207 HydrophobicContact CB-CG 3.78Å; V187-E207 HydrophobicContact CG1-CG 3.86Å; V187-E207 HydrophobicContact CG2-CG 3.99Å; L189-E207 HydrophobicContact CD2-CB 3.97Å; L189-E207 HydrophobicContact CD2-CG 4.36Å; N192-E207 PolarHBondContact OD1-N 3.02Å; E207-E209 VanDerWaalsContact C-N 3.33Å; E207-E209 PolarHBondContact O-N 3.36Å; E207-T210 PolarHBondContact O-N 3.34Å; E207-K211 WeakPolarHBondContact O-CG 3.31Å; E207-K211 PolarHBondContact O-N 2.94Å | ||
| 208 | P | 97.1 | Very high | 93.7 | Very high | 42 Ų | 42 | 53.9 Ų | 53.9 | 27% | 0.273 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -53.3 | -49.4 | 177.5 | -26.4 | 36.6 | 0 | 0 | 0 | 112.1 | V89 T210 K211 L212 | V89-P208 HydrophobicContact CG2-CG 3.86Å; P208-T210 PolarHBondContact O-N 2.89Å; P208-K211 PolarHBondContact O-N 2.63Å; P208-L212 WeakPolarHBondContact O-CD1 3.32Å; P208-L212 WeakPolarHBondContact O-CG 3.28Å; P208-L212 PolarHBondContact O-N 3.37Å; P208-L212 VanDerWaalsContact O-N 3.13Å |
| 209 | E | 98 | Very high | 93.8 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59 | -49.5 | -178.8 | -58.6 | 79.6 | -172.9 | 0 | 0 | 111.3 | S88 V89 L94 N183 L189 E207 K211 L212 I213 | S88-E209 WeakPolarHBondContact CA-OE1 3.47Å; S88-E209 VanDerWaalsContact CB-OE1 3.23Å; S88-E209 WeakPolarHBondContact CB-OE1 3.45Å; V89-E209 PolarHBondContact N-OE1 3.38Å; L94-E209 HydrophobicContact CD1-CB 4.2Å; L94-E209 HydrophobicContact CD1-CG 4.21Å; L94-E209 HydrophobicContact CD2-CG 4.49Å; N183-E209 PolarHBondContact ND2-OE2 3.07Å; L189-E209 HydrophobicContact CD1-CB 3.68Å; L189-E209 HydrophobicContact CD1-CG 4.1Å; L189-E209 HydrophobicContact CD2-CB 4.18Å; E207-E209 VanDerWaalsContact C-N 3.33Å; E207-E209 PolarHBondContact O-N 3.36Å; E209-K211 PolarHBondContact O-N 3.17Å; E209-L212 PolarHBondContact O-N 3.04Å; E209-I213 WeakPolarHBondContact O-CG1 3.07Å; E209-I213 PolarHBondContact O-N 2.74Å |
| 210 | T | 97.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60 | -46.1 | 178.4 | -47.8 | 0 | 0 | 0 | 0 | 112.2 | N192 F193 Q206 E207 P208 L212 I213 M214 | N192-T210 HydrophobicContact CB-CG2 4.44Å; N192-T210 WeakPolarHBondContact OD1-CB 3.34Å; N192-T210 WeakPolarHBondContact OD1-CG2 3.38Å; N192-T210 PolarHBondContact OD1-OG1 3.21Å; F193-T210 HydrophobicContact CD1-CG2 3.83Å; F193-T210 HydrophobicContact CD2-CG2 3.89Å; F193-T210 HydrophobicContact CE1-CG2 3.88Å; F193-T210 HydrophobicContact CE2-CG2 3.92Å; F193-T210 HydrophobicContact CG-CG2 3.83Å; F193-T210 HydrophobicContact CZ-CG2 3.92Å; Q206-T210 HydrophobicContact CB-CG2 4.43Å; Q206-T210 HydrophobicContact CG-CG2 4.15Å; E207-T210 PolarHBondContact O-N 3.34Å; P208-T210 PolarHBondContact O-N 2.89Å; T210-L212 VanDerWaalsContact C-N 3.29Å; T210-L212 PolarHBondContact O-N 3.42Å; T210-I213 PolarHBondContact O-N 3.15Å; T210-M214 HydrophobicContact CG2-CG 4.43Å; T210-M214 HydrophobicContact CG2-SD 3.99Å; T210-M214 WeakPolarHBondContact O-CB 3.19Å; T210-M214 WeakPolarHBondContact O-CG 3.4Å; T210-M214 PolarHBondContact O-N 3.08Å |
| 211 | K | 97 | Very high | 94 | Very high | 112 Ų | 112 | 53.4 Ų | 53.4 | 49% | 0.487 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.4 | -42.7 | 178.2 | -74.8 | -164.5 | -170.8 | 81 | 0 | 111.8 | Q206 E207 P208 E209 M214 Q215 | Q206-K211 HydrophobicContact CB-CG 3.6Å; Q206-K211 PolarHBondContact O-NZ 2.85Å; E207-K211 WeakPolarHBondContact O-CG 3.31Å; E207-K211 PolarHBondContact O-N 2.94Å; P208-K211 PolarHBondContact O-N 2.63Å; E209-K211 PolarHBondContact O-N 3.17Å; K211-M214 PolarHBondContact O-N 3.12Å; K211-Q215 WeakPolarHBondContact O-CB 3.42Å; K211-Q215 PolarHBondContact O-N 3.03Å |
| 212 | L | 97.8 | Very high | 94.4 | Very high | 35 Ų | 35 | 46.2 Ų | 46.2 | 18% | 0.183 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -71.8 | -40.1 | -177.3 | -60.1 | 166.6 | 0 | 0 | 0 | 111 | I85 K87 L94 P208 E209 T210 M214 Q215 W216 | I85-L212 HydrophobicContact CD1-CB 3.9Å; I85-L212 HydrophobicContact CG1-CB 4.27Å; I85-L212 WeakPolarHBondContact O-CD2 3.26Å; K87-L212 WeakPolarHBondContact O-CD1 3.5Å; L94-L212 HydrophobicContact CD1-CB 4.46Å; L94-L212 HydrophobicContact CD1-CD1 3.96Å; P208-L212 WeakPolarHBondContact O-CD1 3.32Å; P208-L212 WeakPolarHBondContact O-CG 3.28Å; P208-L212 PolarHBondContact O-N 3.37Å; P208-L212 VanDerWaalsContact O-N 3.13Å; E209-L212 PolarHBondContact O-N 3.04Å; T210-L212 VanDerWaalsContact C-N 3.29Å; T210-L212 PolarHBondContact O-N 3.42Å; L212-M214 VanDerWaalsContact C-N 3.34Å; L212-Q215 PolarHBondContact O-N 3.44Å; L212-W216 VanDerWaalsContact O-CB 3.25Å; L212-W216 WeakPolarHBondContact O-CB 3.48Å; L212-W216 PolarHBondContact O-N 2.83Å |
| 213 | I | 97.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.9 | -40.5 | 174.2 | -67.1 | 166.6 | 0 | 0 | 0 | 111 | I85 M159 A162 F193 E209 T210 S217 M301 | I85-I213 HydrophobicContact CD1-CG1 3.89Å; M159-I213 HydrophobicContact CE-CG1 4.19Å; M159-I213 HydrophobicContact SD-CD1 4.35Å; M159-I213 HydrophobicContact SD-CG1 4.31Å; A162-I213 HydrophobicContact CB-CD1 3.72Å; F193-I213 HydrophobicContact CE1-CG2 4.08Å; F193-I213 HydrophobicContact CZ-CB 4.4Å; F193-I213 HydrophobicContact CZ-CG2 3.99Å; E209-I213 WeakPolarHBondContact O-CG1 3.07Å; E209-I213 PolarHBondContact O-N 2.74Å; T210-I213 PolarHBondContact O-N 3.15Å; I213-S217 VanDerWaalsContact O-CB 3.22Å; I213-S217 WeakPolarHBondContact O-CB 3.42Å; I213-S217 PolarHBondContact O-N 3.16Å; I213-S217 PolarHBondContact O-OG 2.63Å; I213-M301 HydrophobicContact CG2-SD 3.63Å |
| 214 | M | 97.2 | Very high | 94.9 | Very high | 33 Ų | 33 | 42.5 Ų | 42.5 | 16% | 0.163 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.4 | -47.5 | 174.4 | -72.5 | 171.2 | 59.3 | 0 | 0 | 111.9 | F193 P194 Q206 T210 K211 L212 S217 Q218 W304 | F193-M214 HydrophobicContact CD1-CG 3.73Å; F193-M214 HydrophobicContact CD1-SD 4.28Å; F193-M214 HydrophobicContact CE1-CG 3.82Å; P194-M214 HydrophobicContact CG-CE 3.68Å; P194-M214 HydrophobicContact CG-SD 4.21Å; Q206-M214 HydrophobicContact CG-SD 3.77Å; T210-M214 HydrophobicContact CG2-CG 4.43Å; T210-M214 HydrophobicContact CG2-SD 3.99Å; T210-M214 WeakPolarHBondContact O-CB 3.19Å; T210-M214 WeakPolarHBondContact O-CG 3.4Å; T210-M214 PolarHBondContact O-N 3.08Å; K211-M214 PolarHBondContact O-N 3.12Å; L212-M214 VanDerWaalsContact C-N 3.34Å; M214-S217 PolarHBondContact O-N 3.09Å; M214-Q218 WeakPolarHBondContact O-CG 3.42Å; M214-Q218 PolarHBondContact O-N 2.89Å; M214-W304 HydrophobicContact CB-CH2 3.76Å; M214-W304 HydrophobicContact CB-CZ2 3.77Å; M214-W304 HydrophobicContact CB-CZ3 4.47Å; M214-W304 HydrophobicContact CE-CZ2 3.93Å; M214-W304 HydrophobicContact CG-CD2 4.36Å; M214-W304 HydrophobicContact CG-CH2 3.85Å; M214-W304 HydrophobicContact CG-CZ2 3.62Å; M214-W304 HydrophobicContact CG-CZ3 4.28Å; M214-W304 WeakPolarHBondContact O-CH2 3.21Å |
| 215 | Q | 96.1 | Very high | 95.2 | Very high | 103 Ų | 103 | 39 Ų | 39 | 48% | 0.481 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.4 | -53.4 | 177.6 | 175.9 | 178.8 | -19.6 | 0 | 0 | 111.1 | K211 L212 S217 Q218 E219 | K211-Q215 WeakPolarHBondContact O-CB 3.42Å; K211-Q215 PolarHBondContact O-N 3.03Å; L212-Q215 PolarHBondContact O-N 3.44Å; Q215-S217 PolarHBondContact O-N 2.93Å; Q215-Q218 WeakPolarHBondContact O-CA 3.28Å; Q215-Q218 PolarHBondContact O-N 3.31Å; Q215-E219 HydrophobicContact CG-CG 4.31Å; Q215-E219 WeakPolarHBondContact CG-OE1 3.47Å; Q215-E219 PolarHBondContact NE2-OE1 3.43Å; Q215-E219 WeakPolarHBondContact O-CG 3.29Å; Q215-E219 PolarHBondContact O-N 3.28Å |
| 216 | W | 95.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.5 | -39 | 179 | 168.7 | 51.2 | 0 | 0 | 0 | 112.5 | Y83 I85 V96 K114 V116 H157 M159 L212 Q218 E219 H220 F222 | Y83-W216 PolarHBondContact OH-NE1 2.93Å; I85-W216 HydrophobicContact CB-CB 4.32Å; I85-W216 HydrophobicContact CD1-CB 4.35Å; I85-W216 HydrophobicContact CD1-CE3 4.36Å; I85-W216 HydrophobicContact CG2-CB 3.84Å; I85-W216 HydrophobicContact CG2-CD2 4.03Å; I85-W216 HydrophobicContact CG2-CG 3.61Å; V96-W216 HydrophobicContact CG1-CH2 4.42Å; V96-W216 HydrophobicContact CG1-CZ2 3.98Å; V96-W216 HydrophobicContact CG2-CZ2 4.45Å; K114-W216 HydrophobicContact CB-CH2 3.94Å; K114-W216 HydrophobicContact CB-CZ2 4.34Å; K114-W216 HydrophobicContact CD-CH2 3.87Å; K114-W216 HydrophobicContact CD-CZ2 4.47Å; K114-W216 HydrophobicContact CD-CZ3 4.08Å; K114-W216 HydrophobicContact CG-CH2 4.4Å; V116-W216 HydrophobicContact CG2-CH2 4.45Å; V116-W216 HydrophobicContact CG2-CZ3 4.11Å; H157-W216 HydrophobicContact CB-CH2 4.38Å; H157-W216 HydrophobicContact CB-CZ2 3.7Å; M159-W216 HydrophobicContact CE-CD2 4.44Å; M159-W216 HydrophobicContact CE-CE3 3.58Å; M159-W216 HydrophobicContact CE-CH2 4.11Å; M159-W216 HydrophobicContact CE-CZ3 3.37Å; M159-W216 HydrophobicContact SD-CZ3 4.37Å; L212-W216 VanDerWaalsContact O-CB 3.25Å; L212-W216 WeakPolarHBondContact O-CB 3.48Å; L212-W216 PolarHBondContact O-N 2.83Å; W216-Q218 PolarHBondContact O-N 2.82Å; W216-E219 PolarHBondContact O-N 3.26Å; W216-H220 AromaticContact CD1-CD2 3.41Å; W216-H220 VanDerWaalsContact CD1-CD2 3.41Å; W216-H220 AromaticContact CD1-NE2 3.89Å; W216-H220 AromaticContact NE1-CD2 3.47Å; W216-H220 PolarHBondContact NE1-CD2 2.71Å; W216-H220 AromaticContact NE1-NE2 3.81Å; W216-H220 PolarHBondContact O-N 3.08Å; W216-F222 HydrophobicContact CD2-CE2 4.23Å; W216-F222 AromaticContact CE2-CE2 3.66Å; W216-F222 AromaticContact CE2-CZ 3.56Å; W216-F222 HydrophobicContact CH2-CE2 4.44Å; W216-F222 HydrophobicContact CH2-CZ 4.25Å; W216-F222 HydrophobicContact CZ2-CE1 4.36Å; W216-F222 AromaticContact CZ2-CE2 3.78Å; W216-F222 HydrophobicContact CZ2-CE2 3.78Å; W216-F222 AromaticContact CZ2-CZ 3.37Å; W216-F222 HydrophobicContact CZ2-CZ 3.37Å; W216-F222 AromaticContact NE1-CE2 3.76Å; W216-F222 AromaticContact NE1-CZ 3.6Å |
| 217 | S | 94.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -73.2 | -9.3 | 177.3 | -57 | 0 | 0 | 0 | 0 | 114.3 | K114 I213 M214 Q215 T309 | K114-S217 PolarHBondContact NZ-OG 3.1Å; I213-S217 VanDerWaalsContact O-CB 3.22Å; I213-S217 WeakPolarHBondContact O-CB 3.42Å; I213-S217 PolarHBondContact O-N 3.16Å; I213-S217 PolarHBondContact O-OG 2.63Å; M214-S217 PolarHBondContact O-N 3.09Å; Q215-S217 PolarHBondContact O-N 2.93Å; S217-T309 VanDerWaalsContact O-CG2 3.3Å; S217-T309 WeakPolarHBondContact O-CG2 3.45Å |
| 218 | Q | 91 | Very high | 95.6 | Very high | 118 Ų | 118 | 32 Ų | 32 | 55% | 0.551 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -105.7 | -21.1 | 174 | -70.4 | 177.9 | -5.7 | 0 | 0 | 113 | M214 Q215 W216 W304 T309 | M214-Q218 WeakPolarHBondContact O-CG 3.42Å; M214-Q218 PolarHBondContact O-N 2.89Å; Q215-Q218 WeakPolarHBondContact O-CA 3.28Å; Q215-Q218 PolarHBondContact O-N 3.31Å; W216-Q218 PolarHBondContact O-N 2.82Å; Q218-W304 HydrophobicContact CG-CH2 4.17Å; Q218-T309 HydrophobicContact CG-CG2 4.21Å |
| 219 | E | 89.1 | Confident | 95.6 | Very high | 126 Ų | 126 | 30.1 Ų | 30.1 | 59% | 0.589 | 15% | 0.146 | S | C | * | . | H | α-helix | trans | -75.3 | -33.7 | 173 | -72.6 | 172.4 | 165.4 | 0 | 0 | 112.1 | Q215 W216 | Q215-E219 HydrophobicContact CG-CG 4.31Å; Q215-E219 WeakPolarHBondContact CG-OE1 3.47Å; Q215-E219 PolarHBondContact NE2-OE1 3.43Å; Q215-E219 WeakPolarHBondContact O-CG 3.29Å; Q215-E219 PolarHBondContact O-N 3.28Å; W216-E219 PolarHBondContact O-N 3.26Å |
| 220 | H | 89.2 | Confident | 95.4 | Very high | 37 Ų | 37 | 30.2 Ų | 30.2 | 17% | 0.171 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -103.7 | 143.4 | 177.9 | -74 | -94.8 | 0 | 0 | 0 | 112 | E112 H157 W216 F222 | E112-H220 IonicContact OE2-CE1 3.89Å; E112-H220 IonicContact OE2-CG 3.39Å; E112-H220 IonicContact OE2-ND1 3.51Å; E112-H220 PolarHBondContact OE2-ND1 2.92Å; H157-H220 AromaticContact CE1-CE1 3.39Å; H157-H220 PolarHBondContact CE1-CE1 2.97Å; H157-H220 AromaticContact CE1-ND1 3.69Å; H157-H220 AromaticContact NE2-CE1 3.94Å; H157-H220 AromaticContact NE2-ND1 3.87Å; W216-H220 AromaticContact CD1-CD2 3.41Å; W216-H220 VanDerWaalsContact CD1-CD2 3.41Å; W216-H220 AromaticContact CD1-NE2 3.89Å; W216-H220 AromaticContact NE1-CD2 3.47Å; W216-H220 PolarHBondContact NE1-CD2 2.71Å; W216-H220 AromaticContact NE1-NE2 3.81Å; W216-H220 PolarHBondContact O-N 3.08Å; H220-F222 VanDerWaalsContact C-N 3.28Å; H220-F222 HydrophobicContact CB-CD2 3.72Å; H220-F222 HydrophobicContact CB-CE1 4.15Å; H220-F222 HydrophobicContact CB-CE2 3.33Å; H220-F222 HydrophobicContact CB-CG 4.3Å; H220-F222 HydrophobicContact CB-CZ 3.55Å; H220-F222 AromaticContact CG-CZ 3.87Å; H220-F222 PolarHBondContact O-N 3.27Å; H220-F222 VanDerWaalsContact O-N 3.08Å |
| 221 | S | 88.9 | Confident | 95.1 | Very high | 39 Ų | 39 | 31.7 Ų | 31.7 | 27% | 0.273 | 16% | 0.162 | S | C | . | . | trans | -89 | 60.9 | -179.2 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | E112 V223 | E112-S221 PolarHBondContact OE1-N 3.28Å; S221-V223 PolarHBondContact O-N 2.89Å | ||
| 222 | F | 95.5 | Very high | 94.9 | Very high | 7 Ų | 7 | 26.5 Ų | 26.5 | 3% | 0.031 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 128.9 | -178.5 | -67.4 | -62.1 | 0 | 0 | 0 | 112.5 | E112 K114 H157 W216 H220 C311 | E112-F222 HydrophobicContact CB-CD1 3.82Å; E112-F222 HydrophobicContact CB-CE1 4.17Å; E112-F222 WeakPolarHBondContact O-CA 3.23Å; K114-F222 HydrophobicContact CB-CD1 4.06Å; K114-F222 HydrophobicContact CB-CE1 3.87Å; K114-F222 HydrophobicContact CB-CZ 4.21Å; K114-F222 HydrophobicContact CD-CD1 4.3Å; K114-F222 HydrophobicContact CD-CD2 3.79Å; K114-F222 HydrophobicContact CD-CE1 4.45Å; K114-F222 HydrophobicContact CD-CE2 3.91Å; K114-F222 HydrophobicContact CD-CG 4Å; K114-F222 HydrophobicContact CD-CZ 4.27Å; K114-F222 HydrophobicContact CG-CD1 4.41Å; K114-F222 HydrophobicContact CG-CG 4.49Å; H157-F222 HydrophobicContact CB-CE1 4.01Å; H157-F222 HydrophobicContact CB-CZ 4.13Å; H157-F222 AromaticContact CD2-CE1 3.73Å; H157-F222 AromaticContact CG-CE1 3.83Å; H157-F222 AromaticContact CG-CZ 3.93Å; W216-F222 HydrophobicContact CD2-CE2 4.23Å; W216-F222 AromaticContact CE2-CE2 3.66Å; W216-F222 AromaticContact CE2-CZ 3.56Å; W216-F222 HydrophobicContact CH2-CE2 4.44Å; W216-F222 HydrophobicContact CH2-CZ 4.25Å; W216-F222 HydrophobicContact CZ2-CE1 4.36Å; W216-F222 AromaticContact CZ2-CE2 3.78Å; W216-F222 HydrophobicContact CZ2-CE2 3.78Å; W216-F222 AromaticContact CZ2-CZ 3.37Å; W216-F222 HydrophobicContact CZ2-CZ 3.37Å; W216-F222 AromaticContact NE1-CE2 3.76Å; W216-F222 AromaticContact NE1-CZ 3.6Å; H220-F222 VanDerWaalsContact C-N 3.28Å; H220-F222 HydrophobicContact CB-CD2 3.72Å; H220-F222 HydrophobicContact CB-CE1 4.15Å; H220-F222 HydrophobicContact CB-CE2 3.33Å; H220-F222 HydrophobicContact CB-CG 4.3Å; H220-F222 HydrophobicContact CB-CZ 3.55Å; H220-F222 AromaticContact CG-CZ 3.87Å; H220-F222 PolarHBondContact O-N 3.27Å; H220-F222 VanDerWaalsContact O-N 3.08Å; F222-C311 HydrophobicContact CB-CB 4.02Å; F222-C311 VanDerWaalsContact CB-SG 3.55Å; F222-C311 VanDerWaalsContact O-CA 3.31Å; F222-C311 WeakPolarHBondContact O-CA 3.37Å; F222-C311 WeakPolarHBondContact O-CB 3.32Å |
| 223 | V | 96.2 | Very high | 94.8 | Very high | 14 Ų | 14 | 26 Ų | 26 | 9% | 0.085 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -35 | 179.1 | -174.1 | 0 | 0 | 0 | 0 | 111.3 | P111 E112 S221 M312 V347 W388 L390 | P111-V223 HydrophobicContact CB-CG2 4Å; E112-V223 PolarHBondContact O-N 3.44Å; S221-V223 PolarHBondContact O-N 2.89Å; V223-M312 PolarHBondContact O-N 2.72Å; V223-V347 HydrophobicContact CB-CG2 3.82Å; V223-V347 HydrophobicContact CG1-CG2 3.88Å; V223-V347 HydrophobicContact CG2-CG2 4.44Å; V223-W388 HydrophobicContact CG1-CB 3.98Å; V223-W388 HydrophobicContact CG2-CB 3.87Å; V223-W388 HydrophobicContact CG2-CD2 4.09Å; V223-W388 HydrophobicContact CG2-CE3 3.95Å; V223-W388 HydrophobicContact CG2-CG 4.07Å; V223-L390 HydrophobicContact CG1-CD1 4.02Å; V223-L390 HydrophobicContact CG1-CG 4.2Å |
| 224 | L | 97.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 141.5 | -173 | -171 | 70.7 | 0 | 0 | 0 | 111.4 | V113 K114 L261 M312 F343 E346 V347 L390 | V113-L224 VanDerWaalsContact CA-O 3.29Å; V113-L224 WeakPolarHBondContact CA-O 3.38Å; V113-L224 HydrophobicContact CB-CB 4.44Å; V113-L224 HydrophobicContact CG1-CB 3.91Å; K114-L224 PolarHBondContact N-O 3.04Å; L224-L261 HydrophobicContact CD1-CD1 3.71Å; L224-L261 HydrophobicContact CD1-CD2 3.82Å; L224-L261 HydrophobicContact CD1-CG 4.39Å; L224-M312 CarbonylContact C-O 3.5Å; L224-M312 WeakPolarHBondContact CA-O 3.42Å; L224-M312 HydrophobicContact CD1-CB 4.32Å; L224-F343 HydrophobicContact CD1-CE1 4.3Å; L224-F343 HydrophobicContact CD1-CE2 3.98Å; L224-F343 HydrophobicContact CD1-CZ 3.6Å; L224-F343 HydrophobicContact CD2-CD1 4.29Å; L224-F343 HydrophobicContact CD2-CE1 3.91Å; L224-F343 HydrophobicContact CD2-CE2 4.44Å; L224-F343 HydrophobicContact CD2-CZ 3.99Å; L224-F343 VanDerWaalsContact CD2-O 3.29Å; L224-F343 WeakPolarHBondContact CD2-O 3.47Å; L224-F343 HydrophobicContact CG-CE1 3.8Å; L224-F343 HydrophobicContact CG-CE2 4.34Å; L224-F343 HydrophobicContact CG-CZ 3.62Å; L224-E346 HydrophobicContact CD2-CB 4.24Å; L224-V347 HydrophobicContact CD2-CB 4.38Å; L224-L390 HydrophobicContact CD1-CD1 4.14Å |
| 225 | S | 98.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 144.8 | -178.8 | -174.7 | 0 | 0 | 0 | 0 | 113.2 | K114 C311 M312 E313 I314 F343 | K114-S225 WeakPolarHBondContact CE-OG 3.44Å; K114-S225 WeakPolarHBondContact CG-OG 3.5Å; K114-S225 VanDerWaalsContact O-CA 3.29Å; K114-S225 WeakPolarHBondContact O-CA 3.32Å; S225-C311 VanDerWaalsContact CB-SG 3.57Å; S225-M312 PolarHBondContact N-O 3.32Å; S225-E313 VanDerWaalsContact CB-OE2 3.23Å; S225-E313 WeakPolarHBondContact CB-OE2 3.27Å; S225-E313 VanDerWaalsContact O-CA 3.32Å; S225-E313 WeakPolarHBondContact O-CA 3.39Å; S225-E313 PolarHBondContact OG-OE2 2.65Å; S225-I314 PolarHBondContact O-N 3.49Å; S225-F343 VanDerWaalsContact O-CZ 3.24Å; S225-F343 WeakPolarHBondContact O-CZ 3.42Å |
| 226 | G | 98 | Very high | 94.8 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 131.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K114 F115 V116 | K114-G226 PolarHBondContact O-N 3.27Å; F115-G226 WeakPolarHBondContact CA-O 3.3Å; V116-G226 PolarHBondContact N-O 3.04Å |
| 227 | N | 98 | Very high | 95 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 116.8 | -177.6 | -172.2 | 6.7 | 0 | 0 | 0 | 109.7 | V116 M119 H229 M301 E313 I314 T315 L316 | V116-N227 CarbonylContact O-C 3.56Å; V116-N227 WeakPolarHBondContact O-CA 2.93Å; M119-N227 WeakPolarHBondContact CE-ND2 3.5Å; M119-N227 VanDerWaalsContact CE-OD1 3.3Å; M119-N227 WeakPolarHBondContact CE-OD1 3.4Å; M119-N227 PolarHBondContact SD-ND2 3.4Å; M119-N227 VanDerWaalsContact SD-ND2 3.43Å; M119-N227 PolarHBondContact SD-OD1 3.43Å; N227-H229 PolarHBondContact ND2-NE2 3.21Å; N227-H229 PolarHBondContact O-CD2 3.27Å; N227-H229 PolarHBondContact OD1-CD2 2.98Å; N227-H229 PolarHBondContact OD1-NE2 2.87Å; N227-M301 HydrophobicContact CB-CE 4Å; N227-E313 HydrophobicContact CB-CG 4.17Å; N227-E313 WeakPolarHBondContact CB-OE1 3.39Å; N227-E313 PolarHBondContact ND2-OE1 2.85Å; N227-I314 PolarHBondContact N-O 3.27Å; N227-T315 WeakPolarHBondContact O-CA 3.25Å; N227-L316 PolarHBondContact O-N 3.15Å |
| 228 | L | 98.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 116.3 | -165.3 | -79.4 | 69.5 | 0 | 0 | 0 | 112.6 | F115 V116 N118 L129 I130 L316 L318 L340 | F115-L228 HydrophobicContact CD1-CD1 3.74Å; F115-L228 HydrophobicContact CE1-CD1 4.37Å; V116-L228 PolarHBondContact O-N 2.78Å; N118-L228 PolarHBondContact N-O 3.44Å; L129-L228 HydrophobicContact CB-CD2 4.39Å; I130-L228 HydrophobicContact CD1-CD1 4.46Å; I130-L228 HydrophobicContact CD1-CD2 4.08Å; I130-L228 HydrophobicContact CG1-CD2 3.84Å; L228-L316 HydrophobicContact CD1-CD1 3.95Å; L228-L316 HydrophobicContact CG-CD1 4.39Å; L228-L318 HydrophobicContact CB-CD1 3.96Å; L228-L318 HydrophobicContact CD2-CD1 4.07Å; L228-L318 HydrophobicContact CG-CD1 4.13Å; L228-L318 HydrophobicContact CG-CD2 4.48Å; L228-L340 HydrophobicContact CD2-CD2 4.28Å |
| 229 | H | 97.1 | Very high | 95.4 | Very high | 3 Ų | 3 | 15.2 Ų | 15.2 | 1% | 0.014 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 175.2 | -172.8 | -69.4 | -108.5 | 0 | 0 | 0 | 111.3 | M119 H120 E123 N190 N227 T315 L316 E317 L318 | M119-H229 VanDerWaalsContact CG-CE1 3.43Å; M119-H229 WeakPolarHBondContact CG-CE1 3.34Å; M119-H229 PolarHBondContact SD-CE1 2.93Å; M119-H229 PolarHBondContact SD-NE2 3.23Å; M119-H229 VanDerWaalsContact SD-NE2 3.44Å; H120-H229 AromaticContact CE1-CE1 3.19Å; H120-H229 PolarHBondContact CE1-CE1 3.16Å; H120-H229 AromaticContact CE1-ND1 2.92Å; H120-H229 PolarHBondContact CE1-ND1 3.48Å; H120-H229 AromaticContact ND1-CE1 3.54Å; H120-H229 AromaticContact ND1-ND1 3.02Å; H120-H229 PolarHBondContact ND1-ND1 2.89Å; H120-H229 AromaticContact NE2-CE1 3.89Å; E123-H229 IonicContact OE2-CG 2.76Å; E123-H229 IonicContact OE2-ND1 3.93Å; N190-H229 PolarHBondContact ND2-CE1 3.44Å; N227-H229 PolarHBondContact ND2-NE2 3.21Å; N227-H229 PolarHBondContact O-CD2 3.27Å; N227-H229 PolarHBondContact OD1-CD2 2.98Å; N227-H229 PolarHBondContact OD1-NE2 2.87Å; H229-T315 HydrophobicContact CB-CG2 4.43Å; H229-L316 PolarHBondContact N-O 3.04Å; H229-E317 WeakPolarHBondContact CB-OE1 3.41Å; H229-L318 WeakPolarHBondContact O-CG 3.29Å; H229-L318 PolarHBondContact O-N 3.44Å |
| 230 | A | 93.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 9.5 Ų | 9.5 | 2% | 0.017 | 6% | 0.059 | C | C | . | . | trans | -150.2 | 151.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | E123 I125 E317 | E123-A230 HydrophobicContact CB-CB 4.16Å; E123-A230 HydrophobicContact CG-CB 4.2Å; E123-A230 WeakPolarHBondContact CG-O 3.47Å; E123-A230 PolarHBondContact OE2-N 2.75Å; I125-A230 HydrophobicContact CG2-CB 4.13Å; A230-E317 WeakPolarHBondContact CA-OE2 3.26Å; A230-E317 PolarHBondContact N-OE2 3.45Å | ||
| 231 | G | 90.3 | Very high | 95.7 | Very high | 31 Ų | 31 | 7.7 Ų | 7.7 | 32% | 0.32 | 5% | 0.051 | S | C | . | . | S | Bend | trans | 139.2 | -23 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113 | E317 G319 | G231-E317 PolarHBondContact N-OE2 3.1Å; G231-G319 PolarHBondContact N-O 2.84Å |
| 232 | S | 93.6 | Very high | 95.7 | Very high | 2 Ų | 2 | 5.9 Ų | 5.9 | 1% | 0.014 | 4% | 0.038 | C | C | . | . | S | Bend | trans | -137.7 | -168.9 | 169.6 | -164.7 | 0 | 0 | 0 | 0 | 111.3 | E317 G319 | S232-E317 PolarHBondContact N-OE2 3.47Å; S232-E317 CarbonylContact O-C 3.43Å; S232-G319 CarbonylContact O-C 3.6Å; S232-G319 WeakPolarHBondContact O-CA 3.38Å; S232-G319 PolarHBondContact O-N 2.84Å |
| 233 | L | 95.4 | Very high | 95.3 | Very high | 24 Ų | 24 | 8.3 Ų | 8.3 | 13% | 0.126 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 86.4 | 173 | -173.2 | 70.3 | 0 | 0 | 0 | 110.6 | M272 P277 E317 | L233-M272 HydrophobicContact CD1-CB 4.47Å; L233-M272 HydrophobicContact CD1-CE 3.82Å; L233-M272 HydrophobicContact CG-CB 4.2Å; L233-M272 HydrophobicContact CG-CE 4.31Å; L233-M272 HydrophobicContact CG-CG 4.26Å; L233-P277 HydrophobicContact CB-CB 4.13Å; L233-E317 WeakPolarHBondContact CA-O 3.4Å |
| 234 | V | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 149.3 | -174.6 | 64.4 | 0 | 0 | 0 | 0 | 111.7 | F284 G287 T289 W294 E317 | V234-F284 HydrophobicContact CB-CD2 3.65Å; V234-F284 HydrophobicContact CB-CE2 3.99Å; V234-F284 HydrophobicContact CB-CG 4.04Å; V234-F284 HydrophobicContact CG1-CD2 4.28Å; V234-F284 HydrophobicContact CG1-CE2 4.12Å; V234-F284 HydrophobicContact CG1-CZ 4.46Å; V234-F284 HydrophobicContact CG2-CB 3.77Å; V234-F284 HydrophobicContact CG2-CD1 4.05Å; V234-F284 HydrophobicContact CG2-CD2 3.74Å; V234-F284 HydrophobicContact CG2-CE2 4.36Å; V234-F284 HydrophobicContact CG2-CG 3.57Å; V234-G287 WeakPolarHBondContact CG2-O 3.45Å; V234-T289 HydrophobicContact CG1-CG2 4.45Å; V234-T289 HydrophobicContact CG2-CG2 3.74Å; V234-W294 HydrophobicContact CG1-CE3 4.18Å; V234-W294 HydrophobicContact CG1-CH2 3.93Å; V234-W294 HydrophobicContact CG1-CZ3 3.71Å; V234-E317 HydrophobicContact CG1-CB 3.95Å; V234-E317 HydrophobicContact CG1-CG 3.93Å; V234-E317 PolarHBondContact N-O 3.31Å; V234-E317 WeakPolarHBondContact O-CB 3.4Å; V234-E317 PolarHBondContact O-N 2.89Å |
| 235 | A | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 107.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | A262 M272 G287 I288 T289 L316 | A235-A262 HydrophobicContact CB-CB 3.96Å; A235-M272 HydrophobicContact CB-SD 4.11Å; A235-G287 PolarHBondContact N-O 2.88Å; A235-I288 HydrophobicContact CB-CG2 4.36Å; A235-I288 VanDerWaalsContact O-CA 3.3Å; A235-I288 WeakPolarHBondContact O-CA 3.08Å; A235-T289 PolarHBondContact O-N 3.08Å; A235-L316 HydrophobicContact CB-CD2 4.01Å |
| 236 | S | 97.5 | Very high | 93.9 | Very high | 6 Ų | 6 | 22.7 Ų | 22.7 | 4% | 0.042 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 146.7 | 175.8 | -170 | 0 | 0 | 0 | 0 | 111.2 | T289 G291 Q302 I314 T315 | S236-T289 CarbonylContact C-O 3.58Å; S236-T289 VanDerWaalsContact CA-O 3.29Å; S236-T289 WeakPolarHBondContact CA-O 3.49Å; S236-G291 VanDerWaalsContact OG-CA 3.32Å; S236-G291 WeakPolarHBondContact OG-CA 3.33Å; S236-Q302 PolarHBondContact O-OE1 2.77Å; S236-I314 WeakPolarHBondContact O-CB 3.4Å; S236-T315 PolarHBondContact N-O 2.92Å; S236-T315 PolarHBondContact O-N 2.9Å |
| 237 | Y | 98.2 | Very high | 93.6 | Very high | 7 Ų | 7 | 26.9 Ų | 26.9 | 3% | 0.027 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 157.6 | -178.5 | 65.5 | -100.1 | 0 | 0 | 0 | 114.3 | Y249 F258 K259 A262 I288 T289 N290 G291 | Y237-Y249 WeakPolarHBondContact CE2-OH 3.16Å; Y237-Y249 PolarHBondContact OH-OH 3.16Å; Y237-F258 HydrophobicContact CD2-CB 3.97Å; Y237-F258 HydrophobicContact CG-CB 4.24Å; Y237-K259 HydrophobicContact CE1-CG 4.13Å; Y237-K259 HydrophobicContact CE2-CG 3.99Å; Y237-K259 WeakPolarHBondContact OH-CE 3.45Å; Y237-A262 HydrophobicContact CD1-CB 3.73Å; Y237-A262 HydrophobicContact CG-CB 4.42Å; Y237-I288 HydrophobicContact CD1-CB 4.46Å; Y237-I288 HydrophobicContact CE1-CB 4.12Å; Y237-I288 HydrophobicContact CE1-CD1 4.13Å; Y237-I288 HydrophobicContact CE1-CG1 4.2Å; Y237-T289 WeakPolarHBondContact CD1-O 3.31Å; Y237-T289 WeakPolarHBondContact CE1-O 3.05Å; Y237-T289 PolarHBondContact N-O 2.91Å; Y237-N290 HydrophobicContact CE2-CB 3.84Å; Y237-N290 WeakPolarHBondContact O-CA 3.4Å; Y237-N290 PolarHBondContact O-ND2 3.07Å; Y237-G291 PolarHBondContact O-N 2.84Å |
| 238 | P | 97.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -59.3 | 149.3 | -171.3 | -30.1 | 36.6 | 0 | 0 | 0 | 116.9 | S252 F258 N290 Q302 | P238-S252 PolarHBondContact O-OG 2.98Å; P238-S252 VanDerWaalsContact O-OG 3.05Å; P238-F258 HydrophobicContact CB-CD2 4.48Å; P238-F258 HydrophobicContact CB-CE2 4.32Å; P238-F258 HydrophobicContact CB-CZ 4.43Å; P238-F258 HydrophobicContact CG-CD1 4.06Å; P238-F258 HydrophobicContact CG-CD2 4.43Å; P238-F258 HydrophobicContact CG-CE1 3.74Å; P238-F258 HydrophobicContact CG-CE2 4.14Å; P238-F258 HydrophobicContact CG-CG 4.39Å; P238-F258 HydrophobicContact CG-CZ 3.78Å; P238-N290 VanDerWaalsContact C-ND2 3.33Å; P238-N290 PolarHBondContact O-ND2 3.34Å; P238-Q302 HydrophobicContact CG-CG 3.89Å |
| 239 | F | 97 | Very high | 93.3 | Very high | 20 Ų | 20 | 36.3 Ų | 36.3 | 9% | 0.088 | 20% | 0.199 | C | C | . | . | cis | -85.4 | 142.1 | -2.8 | -68.3 | -61.7 | 0 | 0 | 0 | 113 | S250 N290 N292 D303 Y306 L307 | F239-S250 PolarHBondContact N-O 3.42Å; F239-N290 PolarHBondContact N-ND2 2.81Å; F239-N290 VanDerWaalsContact N-ND2 3.16Å; F239-N290 PolarHBondContact O-ND2 3.32Å; F239-N292 WeakPolarHBondContact O-CB 3.45Å; F239-N292 PolarHBondContact O-N 3.48Å; F239-D303 WeakPolarHBondContact CB-OD2 3.38Å; F239-D303 HydrophobicContact CD1-CB 4.45Å; F239-D303 WeakPolarHBondContact CD1-OD2 3.37Å; F239-Y306 AromaticContact CE1-CD1 3.87Å; F239-Y306 HydrophobicContact CE1-CD1 3.87Å; F239-Y306 AromaticContact CE1-CE1 3.86Å; F239-Y306 HydrophobicContact CE1-CE1 3.86Å; F239-Y306 HydrophobicContact CZ-CD1 4.45Å; F239-Y306 AromaticContact CZ-CE1 3.99Å; F239-Y306 HydrophobicContact CZ-CE1 3.99Å; F239-L307 HydrophobicContact CE1-CD1 4.06Å; F239-L307 HydrophobicContact CE1-CD2 3.9Å; F239-L307 HydrophobicContact CE1-CG 4.07Å; F239-L307 HydrophobicContact CZ-CD2 4.09Å | ||
| 240 | D | 94.4 | Very high | 93.1 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.027 | 20% | 0.202 | C | C | . | . | trans | -75.1 | -29.5 | 170.6 | -78.7 | -12.4 | 0 | 0 | 0 | 112 | G291 N292 L297 Q302 D303 | D240-G291 WeakPolarHBondContact OD1-CA 3.42Å; D240-N292 VanDerWaalsContact O-CA 3.3Å; D240-N292 WeakPolarHBondContact O-CA 3.46Å; D240-N292 WeakPolarHBondContact O-CB 2.91Å; D240-N292 PolarHBondContact O-N 3.29Å; D240-L297 CarbonylContact C-O 3.57Å; D240-L297 HydrophobicContact CB-CB 4.15Å; D240-L297 HydrophobicContact CB-CD2 4.11Å; D240-L297 PolarHBondContact O-N 3.08Å; D240-Q302 PolarHBondContact OD1-NE2 3Å; D240-Q302 PolarHBondContact OD2-NE2 2.78Å; D240-Q302 VanDerWaalsContact OD2-NE2 3.08Å; D240-D303 VanDerWaalsContact N-CG 3.35Å; D240-D303 PolarHBondContact N-OD1 3.39Å; D240-D303 PolarHBondContact N-OD2 2.88Å | ||
| 241 | G | 89.6 | Confident | 93.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -106.7 | 166.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | F197 S250 L297 D303 | F197-G241 VanDerWaalsContact CE2-C 3.44Å; G241-S250 PolarHBondContact O-OG 2.78Å; G241-L297 WeakPolarHBondContact CA-O 3.46Å; G241-L297 PolarHBondContact N-O 3.25Å; G241-D303 PolarHBondContact N-OD2 2.76Å | ||
| 242 | S | 90 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -146.4 | 149.9 | 164.1 | 55 | 0 | 0 | 0 | 0 | 110.7 | N244 M245 T246 Y248 N292 Q298 | S242-N244 VanDerWaalsContact C-N 3.32Å; S242-N244 PolarHBondContact O-N 2.7Å; S242-M245 PolarHBondContact O-N 2.72Å; S242-M245 VanDerWaalsContact O-N 3.1Å; S242-T246 PolarHBondContact OG-N 3.2Å; S242-T246 PolarHBondContact OG-O 2.88Å; S242-T246 VanDerWaalsContact OG-O 3.05Å; S242-Y248 WeakPolarHBondContact CB-OH 3.36Å; S242-N292 WeakPolarHBondContact CB-OD1 3.2Å; S242-N292 PolarHBondContact N-OD1 2.8Å; S242-N292 VanDerWaalsContact N-OD1 3.13Å; S242-N292 PolarHBondContact OG-OD1 3.13Å; S242-Q298 PolarHBondContact O-NE2 2.77Å | ||
| 243 | A | 85.5 | Confident | 93.3 | Very high | 59 Ų | 59 | 40.2 Ų | 40.2 | 49% | 0.488 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -40.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114 | F197 | F197-A243 VanDerWaalsContact CD1-CA 3.46Å; F197-A243 HydrophobicContact CD1-CB 3.53Å; F197-A243 HydrophobicContact CE1-CB 3.92Å; F197-A243 HydrophobicContact CG-CB 4.18Å |
| 244 | N | 85.6 | Confident | 93.3 | Very high | 135 Ų | 135 | 39.2 Ų | 39.2 | 72% | 0.722 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 7.2 | -178.1 | -67.2 | -8.2 | 0 | 0 | 0 | 113.3 | S242 T246 | S242-N244 VanDerWaalsContact C-N 3.32Å; S242-N244 PolarHBondContact O-N 2.7Å; N244-T246 HydrophobicContact CB-CG2 4.01Å |
| 245 | M | 87.3 | Confident | 93.2 | Very high | 118 Ų | 118 | 40.4 Ų | 40.4 | 58% | 0.581 | 23% | 0.225 | S | C | * | . | trans | 50.5 | 55.3 | -170.7 | -62.3 | 178.8 | 63.1 | 0 | 0 | 112.7 | S242 P296 | S242-M245 PolarHBondContact O-N 2.72Å; S242-M245 VanDerWaalsContact O-N 3.1Å; M245-P296 HydrophobicContact CB-CB 4.23Å; M245-P296 HydrophobicContact CB-CG 4.31Å | ||
| 246 | T | 91 | Very high | 93 | Very high | 64 Ų | 64 | 42.8 Ų | 42.8 | 39% | 0.393 | 25% | 0.245 | S | C | . | . | trans | -122.3 | 129.3 | -177.6 | 50.2 | 0 | 0 | 0 | 0 | 111.3 | S242 N244 Y248 N292 | S242-T246 PolarHBondContact OG-N 3.2Å; S242-T246 PolarHBondContact OG-O 2.88Å; S242-T246 VanDerWaalsContact OG-O 3.05Å; N244-T246 HydrophobicContact CB-CG2 4.01Å; T246-Y248 WeakPolarHBondContact O-CD1 3.28Å; T246-Y248 WeakPolarHBondContact O-CE1 3.09Å; T246-Y248 PolarHBondContact O-N 3.47Å; T246-Y248 WeakPolarHBondContact OG1-CE1 3.16Å; T246-N292 PolarHBondContact O-ND2 3.04Å | ||
| 247 | T | 92.3 | Very high | 92.9 | Very high | 88 Ų | 88 | 42.6 Ų | 42.6 | 54% | 0.54 | 24% | 0.243 | S | C | . | . | trans | -66.2 | 114.9 | -179.9 | -45.3 | 0 | 0 | 0 | 0 | 111.9 | N292 N293 P296 | T247-N292 WeakPolarHBondContact CA-O 3.5Å; T247-N292 WeakPolarHBondContact CG2-O 3.45Å; T247-N293 VanDerWaalsContact CG2-O 3.27Å; T247-N293 WeakPolarHBondContact CG2-O 3.25Å; T247-P296 WeakPolarHBondContact OG1-CD 3.35Å | ||
| 248 | Y | 93 | Very high | 92.9 | Very high | 112 Ų | 112 | 42.3 Ų | 42.3 | 44% | 0.439 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -163.8 | 167.7 | 171 | 66.2 | -97.4 | 0 | 0 | 0 | 110.4 | S242 T246 S250 N292 N293 | S242-Y248 WeakPolarHBondContact CB-OH 3.36Å; T246-Y248 WeakPolarHBondContact O-CD1 3.28Å; T246-Y248 WeakPolarHBondContact O-CE1 3.09Å; T246-Y248 PolarHBondContact O-N 3.47Å; T246-Y248 WeakPolarHBondContact OG1-CE1 3.16Å; Y248-S250 PolarHBondContact O-N 3.17Å; Y248-N292 PolarHBondContact N-ND2 3.35Å; Y248-N292 PolarHBondContact N-O 3.38Å; Y248-N292 CarbonylContact O-C 3.53Å; Y248-N292 PolarHBondContact O-ND2 3.49Å; Y248-N293 WeakPolarHBondContact O-CA 3Å; Y248-N293 PolarHBondContact O-N 3.48Å |
| 249 | Y | 95 | Very high | 92.8 | Very high | 86 Ų | 86 | 45.8 Ų | 45.8 | 34% | 0.337 | 26% | 0.257 | S | S | . | . | trans | -68.4 | 102.3 | 178.4 | -161.7 | -81.1 | 0 | 0 | 0 | 112.8 | Y237 A251 D255 K259 N290 N293 | Y237-Y249 WeakPolarHBondContact CE2-OH 3.16Å; Y237-Y249 PolarHBondContact OH-OH 3.16Å; Y249-A251 HydrophobicContact CD1-CB 4.07Å; Y249-A251 HydrophobicContact CE1-CB 3.79Å; Y249-A251 PolarHBondContact O-N 3.12Å; Y249-D255 WeakPolarHBondContact CE1-OD1 3.38Å; Y249-D255 PolarHBondContact OH-OD1 3.39Å; Y249-K259 WeakPolarHBondContact OH-CE 3.38Å; Y249-K259 PolarHBondContact OH-NZ 3.03Å; Y249-N290 HydrophobicContact CD2-CB 3.95Å; Y249-N290 HydrophobicContact CE2-CB 3.49Å; Y249-N290 VanDerWaalsContact CE2-CB 3.49Å; Y249-N293 HydrophobicContact CD2-CB 4.25Å; Y249-N293 PolarHBondContact N-OD1 3.26Å | ||
| 250 | S | 93.6 | Very high | 92.7 | Very high | 12 Ų | 12 | 47 Ų | 47 | 8% | 0.084 | 26% | 0.263 | C | S | . | . | trans | -98.9 | 79.4 | -176.3 | -159.6 | 0 | 0 | 0 | 0 | 110.3 | F239 G241 Y248 S252 N290 | F239-S250 PolarHBondContact N-O 3.42Å; G241-S250 PolarHBondContact O-OG 2.78Å; Y248-S250 PolarHBondContact O-N 3.17Å; S250-S252 PolarHBondContact O-N 3.11Å; S250-N290 PolarHBondContact N-OD1 2.91Å; S250-N290 PolarHBondContact O-ND2 2.86Å; S250-N290 VanDerWaalsContact O-ND2 3.12Å | ||
| 251 | A | 93 | Very high | 92.9 | Very high | 57 Ų | 57 | 46.8 Ų | 46.8 | 47% | 0.471 | 26% | 0.262 | S | S | . | . | trans | -63.8 | 127.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y249 D255 | Y249-A251 HydrophobicContact CD1-CB 4.07Å; Y249-A251 HydrophobicContact CE1-CB 3.79Å; Y249-A251 PolarHBondContact O-N 3.12Å; A251-D255 HydrophobicContact CB-CB 4.39Å | ||
| 252 | S | 94.6 | Very high | 93.2 | Very high | 6 Ų | 6 | 46.8 Ų | 46.8 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | trans | -80.7 | 157.3 | 169.1 | 51.6 | 0 | 0 | 0 | 0 | 111.6 | P238 S250 D254 D255 F258 | P238-S252 PolarHBondContact O-OG 2.98Å; P238-S252 VanDerWaalsContact O-OG 3.05Å; S250-S252 PolarHBondContact O-N 3.11Å; S252-D254 PolarHBondContact O-N 3.28Å; S252-D255 WeakPolarHBondContact O-CB 3.49Å; S252-D255 PolarHBondContact O-N 2.75Å; S252-D255 PolarHBondContact OG-N 3.13Å; S252-F258 WeakPolarHBondContact OG-CD2 3.27Å | ||
| 253 | P | 94.1 | Very high | 93.5 | Very high | 46 Ų | 46 | 47.4 Ų | 47.4 | 30% | 0.299 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -33.5 | 175.7 | -29.5 | 34 | 0 | 0 | 0 | 114.4 | Y306 S375 H376 | P253-Y306 WeakPolarHBondContact CD-OH 3.47Å; P253-S375 WeakPolarHBondContact CB-OG 3.39Å; P253-S375 VanDerWaalsContact CG-OG 3.29Å; P253-S375 WeakPolarHBondContact CG-OG 3.41Å; P253-H376 HydrophobicContact CB-CB 3.99Å; P253-H376 HydrophobicContact CG-CB 4.31Å |
| 254 | D | 94.9 | Very high | 93.9 | Very high | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 25.4 | 175.8 | -74.8 | -51.8 | 0 | 0 | 0 | 113.2 | S252 A256 T257 F258 Y306 M312 H376 R389 | S252-D254 PolarHBondContact O-N 3.28Å; D254-A256 PolarHBondContact O-N 3.34Å; D254-A256 VanDerWaalsContact O-N 3.09Å; D254-T257 WeakPolarHBondContact O-CA 3.38Å; D254-T257 VanDerWaalsContact O-CB 3.28Å; D254-T257 WeakPolarHBondContact O-CB 3.34Å; D254-T257 PolarHBondContact O-N 3.29Å; D254-F258 HydrophobicContact CB-CD2 4.04Å; D254-F258 HydrophobicContact CB-CE2 4.03Å; D254-F258 WeakPolarHBondContact O-CD2 3.29Å; D254-F258 PolarHBondContact O-N 3.06Å; D254-Y306 HydrophobicContact CB-CE2 4.36Å; D254-Y306 PolarHBondContact N-OH 2.91Å; D254-Y306 PolarHBondContact OD2-OH 2.9Å; D254-M312 HydrophobicContact CB-CE 3.96Å; D254-M312 WeakPolarHBondContact OD2-CE 3.46Å; D254-H376 IonicContact OD2-CD2 3.35Å; D254-H376 PolarHBondContact OD2-CD2 3.48Å; D254-H376 IonicContact OD2-CG 2.73Å; D254-R389 VanDerWaalsContact CG-NH2 3.32Å; D254-R389 IonicContact OD1-CZ 3.38Å; D254-R389 IonicContact OD1-NH1 2.67Å; D254-R389 PolarHBondContact OD1-NH1 2.69Å; D254-R389 IonicContact OD1-NH2 4Å; D254-R389 PolarHBondContact OD1-NH2 2.9Å; D254-R389 IonicContact OD2-CZ 2.75Å; D254-R389 IonicContact OD2-NH1 3.44Å; D254-R389 PolarHBondContact OD2-NH1 3.18Å; D254-R389 IonicContact OD2-NH2 3.13Å; D254-R389 PolarHBondContact OD2-NH2 2.96Å; D254-R389 VanDerWaalsContact OD2-NH2 3.09Å |
| 255 | D | 95.4 | Very high | 94.4 | Very high | 25 Ų | 25 | 39 Ų | 39 | 13% | 0.134 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -49.1 | -38.1 | -177 | 167.6 | 97.1 | 0 | 0 | 0 | 114 | Y249 A251 S252 F258 K259 | Y249-D255 WeakPolarHBondContact CE1-OD1 3.38Å; Y249-D255 PolarHBondContact OH-OD1 3.39Å; A251-D255 HydrophobicContact CB-CB 4.39Å; S252-D255 WeakPolarHBondContact O-CB 3.49Å; S252-D255 PolarHBondContact O-N 2.75Å; S252-D255 PolarHBondContact OG-N 3.13Å; D255-F258 PolarHBondContact O-N 2.95Å; D255-K259 VanDerWaalsContact O-CB 3.32Å; D255-K259 WeakPolarHBondContact O-CB 3.48Å; D255-K259 WeakPolarHBondContact O-CG 3.09Å; D255-K259 PolarHBondContact O-N 2.82Å; D255-K259 IonicContact OD1-NZ 2.74Å; D255-K259 PolarHBondContact OD1-NZ 3.44Å; D255-K259 IonicContact OD2-NZ 3.19Å; D255-K259 PolarHBondContact OD2-NZ 2.67Å |
| 256 | A | 94.3 | Very high | 94.8 | Very high | 50 Ų | 50 | 33.3 Ų | 33.3 | 41% | 0.413 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -67.8 | -34.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | D254 H260 P392 | D254-A256 PolarHBondContact O-N 3.34Å; D254-A256 VanDerWaalsContact O-N 3.09Å; A256-H260 WeakPolarHBondContact O-CB 3.47Å; A256-H260 PolarHBondContact O-N 2.73Å; A256-P392 HydrophobicContact CB-CB 4.26Å; A256-P392 HydrophobicContact CB-CG 4.05Å |
| 257 | T | 95.3 | Very high | 94.9 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.012 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.4 | -45.6 | 173.7 | -45.7 | 0 | 0 | 0 | 0 | 110.1 | D254 H260 L261 M312 L390 P392 | D254-T257 WeakPolarHBondContact O-CA 3.38Å; D254-T257 VanDerWaalsContact O-CB 3.28Å; D254-T257 WeakPolarHBondContact O-CB 3.34Å; D254-T257 PolarHBondContact O-N 3.29Å; T257-H260 WeakPolarHBondContact O-CB 3.27Å; T257-H260 PolarHBondContact O-N 3.4Å; T257-H260 VanDerWaalsContact O-N 3.16Å; T257-L261 HydrophobicContact CG2-CD1 4.35Å; T257-L261 WeakPolarHBondContact O-CG 3.43Å; T257-L261 PolarHBondContact O-N 2.88Å; T257-M312 HydrophobicContact CG2-CE 4.29Å; T257-M312 HydrophobicContact CG2-SD 3.73Å; T257-L390 HydrophobicContact CG2-CB 4.11Å; T257-P392 WeakPolarHBondContact OG1-CD 3.47Å |
| 258 | F | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64 | -44.1 | 178 | -80.7 | -64.9 | 0 | 0 | 0 | 113.3 | Y237 P238 S252 D254 D255 H260 L261 A262 Y306 M312 E313 I314 | Y237-F258 HydrophobicContact CD2-CB 3.97Å; Y237-F258 HydrophobicContact CG-CB 4.24Å; P238-F258 HydrophobicContact CB-CD2 4.48Å; P238-F258 HydrophobicContact CB-CE2 4.32Å; P238-F258 HydrophobicContact CB-CZ 4.43Å; P238-F258 HydrophobicContact CG-CD1 4.06Å; P238-F258 HydrophobicContact CG-CD2 4.43Å; P238-F258 HydrophobicContact CG-CE1 3.74Å; P238-F258 HydrophobicContact CG-CE2 4.14Å; P238-F258 HydrophobicContact CG-CG 4.39Å; P238-F258 HydrophobicContact CG-CZ 3.78Å; S252-F258 WeakPolarHBondContact OG-CD2 3.27Å; D254-F258 HydrophobicContact CB-CD2 4.04Å; D254-F258 HydrophobicContact CB-CE2 4.03Å; D254-F258 WeakPolarHBondContact O-CD2 3.29Å; D254-F258 PolarHBondContact O-N 3.06Å; D255-F258 PolarHBondContact O-N 2.95Å; F258-H260 VanDerWaalsContact C-N 3.26Å; F258-H260 PolarHBondContact O-N 3.26Å; F258-L261 HydrophobicContact CD1-CD1 4.5Å; F258-L261 PolarHBondContact O-N 2.98Å; F258-A262 WeakPolarHBondContact O-CB 3.47Å; F258-A262 PolarHBondContact O-N 2.86Å; F258-Y306 HydrophobicContact CE2-CD1 4.27Å; F258-Y306 AromaticContact CE2-CD2 3.78Å; F258-Y306 HydrophobicContact CE2-CD2 3.78Å; F258-Y306 HydrophobicContact CE2-CE1 4.15Å; F258-Y306 AromaticContact CE2-CE2 3.63Å; F258-Y306 HydrophobicContact CE2-CE2 3.63Å; F258-Y306 HydrophobicContact CE2-CG 4.09Å; F258-Y306 AromaticContact CE2-CZ 3.81Å; F258-Y306 HydrophobicContact CZ-CD1 4.39Å; F258-Y306 AromaticContact CZ-CD2 3.61Å; F258-Y306 HydrophobicContact CZ-CD2 3.61Å; F258-Y306 AromaticContact CZ-CE2 3.95Å; F258-Y306 HydrophobicContact CZ-CE2 3.95Å; F258-Y306 AromaticContact CZ-CG 3.84Å; F258-Y306 HydrophobicContact CZ-CG 3.84Å; F258-M312 HydrophobicContact CE1-CB 3.72Å; F258-M312 HydrophobicContact CE1-CG 4.15Å; F258-M312 HydrophobicContact CZ-CB 3.9Å; F258-M312 HydrophobicContact CZ-CG 3.84Å; F258-E313 WeakPolarHBondContact CE1-O 3.31Å; F258-I314 HydrophobicContact CD1-CG2 4.06Å |
| 259 | K | 96.1 | Very high | 94.9 | Very high | 74 Ų | 74 | 27.7 Ų | 27.7 | 32% | 0.322 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -56 | -40.6 | 170.4 | -83.7 | 172.8 | 171.3 | 136.6 | 0 | 112.4 | Y237 Y249 D255 S263 | Y237-K259 HydrophobicContact CE1-CG 4.13Å; Y237-K259 HydrophobicContact CE2-CG 3.99Å; Y237-K259 WeakPolarHBondContact OH-CE 3.45Å; Y249-K259 WeakPolarHBondContact OH-CE 3.38Å; Y249-K259 PolarHBondContact OH-NZ 3.03Å; D255-K259 VanDerWaalsContact O-CB 3.32Å; D255-K259 WeakPolarHBondContact O-CB 3.48Å; D255-K259 WeakPolarHBondContact O-CG 3.09Å; D255-K259 PolarHBondContact O-N 2.82Å; D255-K259 IonicContact OD1-NZ 2.74Å; D255-K259 PolarHBondContact OD1-NZ 3.44Å; D255-K259 IonicContact OD2-NZ 3.19Å; D255-K259 PolarHBondContact OD2-NZ 2.67Å; K259-S263 WeakPolarHBondContact O-CB 3.41Å; K259-S263 PolarHBondContact O-N 3.48Å |
| 260 | H | 95.1 | Very high | 94.6 | Very high | 46 Ų | 46 | 30.6 Ų | 30.6 | 21% | 0.213 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.5 | -51.7 | 177.2 | -177.4 | 81 | 0 | 0 | 0 | 111 | A256 T257 F258 A262 S263 V264 E346 R349 P393 | A256-H260 WeakPolarHBondContact O-CB 3.47Å; A256-H260 PolarHBondContact O-N 2.73Å; T257-H260 WeakPolarHBondContact O-CB 3.27Å; T257-H260 PolarHBondContact O-N 3.4Å; T257-H260 VanDerWaalsContact O-N 3.16Å; F258-H260 VanDerWaalsContact C-N 3.26Å; F258-H260 PolarHBondContact O-N 3.26Å; H260-A262 PolarHBondContact O-N 3.17Å; H260-S263 CarbonylContact O-C 3.47Å; H260-S263 PolarHBondContact O-N 3.45Å; H260-S263 VanDerWaalsContact O-N 3.1Å; H260-V264 WeakPolarHBondContact O-CG2 3.37Å; H260-V264 PolarHBondContact O-N 3.5Å; H260-E346 IonicContact CD2-OE2 2.87Å; H260-E346 PolarHBondContact CD2-OE2 3.11Å; H260-E346 IonicContact NE2-OE1 2.71Å; H260-E346 IonicContact NE2-OE2 2.67Å; H260-E346 PolarHBondContact NE2-OE2 2.8Å; H260-E346 VanDerWaalsContact NE2-OE2 3.15Å; H260-R349 PolarHBondContact CD2-NH2 2.81Å; H260-R349 VanDerWaalsContact CD2-NH2 3.31Å; H260-R349 PolarHBondContact NE2-NH1 3.19Å; H260-P393 VanDerWaalsContact CE1-CG 3.43Å; H260-P393 WeakPolarHBondContact CE1-CG 3.29Å |
| 261 | L | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.5 | -48.6 | 178.4 | -70.6 | 172.7 | 0 | 0 | 0 | 112.7 | L224 T257 F258 S263 V264 Y265 M312 F343 E346 | L224-L261 HydrophobicContact CD1-CD1 3.71Å; L224-L261 HydrophobicContact CD1-CD2 3.82Å; L224-L261 HydrophobicContact CD1-CG 4.39Å; T257-L261 HydrophobicContact CG2-CD1 4.35Å; T257-L261 WeakPolarHBondContact O-CG 3.43Å; T257-L261 PolarHBondContact O-N 2.88Å; F258-L261 HydrophobicContact CD1-CD1 4.5Å; F258-L261 PolarHBondContact O-N 2.98Å; L261-S263 VanDerWaalsContact C-N 3.34Å; L261-S263 PolarHBondContact O-N 3.27Å; L261-V264 PolarHBondContact O-N 3.47Å; L261-Y265 PolarHBondContact O-N 3.08Å; L261-M312 HydrophobicContact CD1-CB 4.12Å; L261-M312 HydrophobicContact CD1-SD 4.26Å; L261-F343 HydrophobicContact CB-CE2 4.11Å; L261-F343 HydrophobicContact CD2-CE2 4.32Å; L261-E346 HydrophobicContact CD2-CB 3.64Å; L261-E346 HydrophobicContact CD2-CG 3.81Å |
| 262 | A | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.6 | -38.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | A235 Y237 F258 H260 V264 Y265 S266 I288 I314 | A235-A262 HydrophobicContact CB-CB 3.96Å; Y237-A262 HydrophobicContact CD1-CB 3.73Å; Y237-A262 HydrophobicContact CG-CB 4.42Å; F258-A262 WeakPolarHBondContact O-CB 3.47Å; F258-A262 PolarHBondContact O-N 2.86Å; H260-A262 PolarHBondContact O-N 3.17Å; A262-V264 VanDerWaalsContact C-N 3.34Å; A262-V264 PolarHBondContact O-N 2.93Å; A262-Y265 PolarHBondContact O-N 3.4Å; A262-S266 WeakPolarHBondContact O-CB 3.25Å; A262-S266 PolarHBondContact O-N 2.82Å; A262-I288 HydrophobicContact CB-CB 4.18Å; A262-I288 HydrophobicContact CB-CG2 3.78Å; A262-I288 WeakPolarHBondContact O-CG2 3.15Å; A262-I314 HydrophobicContact CB-CD1 4.41Å |
| 263 | S | 95.1 | Very high | 94.5 | Very high | 13 Ų | 13 | 33.5 Ų | 33.5 | 9% | 0.091 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.2 | -26.8 | 176.9 | -176.1 | 0 | 0 | 0 | 0 | 113.2 | K259 H260 L261 R267 | K259-S263 WeakPolarHBondContact O-CB 3.41Å; K259-S263 PolarHBondContact O-N 3.48Å; H260-S263 CarbonylContact O-C 3.47Å; H260-S263 PolarHBondContact O-N 3.45Å; H260-S263 VanDerWaalsContact O-N 3.1Å; L261-S263 VanDerWaalsContact C-N 3.34Å; L261-S263 PolarHBondContact O-N 3.27Å; S263-R267 WeakPolarHBondContact O-CB 3.47Å; S263-R267 WeakPolarHBondContact O-CG 3.45Å; S263-R267 PolarHBondContact O-N 2.95Å; S263-R267 VanDerWaalsContact O-N 3.09Å; S263-R267 PolarHBondContact OG-NE 2.81Å; S263-R267 VanDerWaalsContact OG-NE 3.09Å |
| 264 | V | 94 | Very high | 94.4 | Very high | 16 Ų | 16 | 36.2 Ų | 36.2 | 10% | 0.097 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.3 | -50.1 | 171.9 | 167.4 | 0 | 0 | 0 | 0 | 109.4 | H260 L261 A262 A268 A342 E346 | H260-V264 WeakPolarHBondContact O-CG2 3.37Å; H260-V264 PolarHBondContact O-N 3.5Å; L261-V264 PolarHBondContact O-N 3.47Å; A262-V264 VanDerWaalsContact C-N 3.34Å; A262-V264 PolarHBondContact O-N 2.93Å; V264-A268 VanDerWaalsContact O-CB 3.25Å; V264-A268 WeakPolarHBondContact O-CB 3.48Å; V264-A268 PolarHBondContact O-N 2.94Å; V264-A268 VanDerWaalsContact O-N 3.1Å; V264-A342 HydrophobicContact CG1-CB 3.84Å; V264-E346 HydrophobicContact CG1-CG 4.25Å; V264-E346 HydrophobicContact CG2-CG 4.34Å |
| 265 | Y | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.8 | -50.9 | 178.4 | -164.6 | -81.1 | 0 | 0 | 0 | 112.2 | L261 A262 A268 H269 M272 L316 N336 S339 L340 F343 | L261-Y265 PolarHBondContact O-N 3.08Å; A262-Y265 PolarHBondContact O-N 3.4Å; Y265-A268 PolarHBondContact O-N 2.88Å; Y265-H269 PolarHBondContact O-N 3.26Å; Y265-H269 VanDerWaalsContact O-N 3.13Å; Y265-M272 HydrophobicContact CD1-CE 4.42Å; Y265-M272 HydrophobicContact CD1-SD 4.16Å; Y265-M272 HydrophobicContact CE1-CE 4.24Å; Y265-L316 HydrophobicContact CD1-CD2 3.62Å; Y265-L316 HydrophobicContact CD2-CD1 3.85Å; Y265-L316 HydrophobicContact CD2-CD2 3.88Å; Y265-L316 HydrophobicContact CE1-CD1 4.36Å; Y265-L316 HydrophobicContact CE1-CD2 3.89Å; Y265-L316 HydrophobicContact CE2-CD1 3.5Å; Y265-L316 VanDerWaalsContact CE2-CD1 3.5Å; Y265-L316 HydrophobicContact CE2-CD2 4.15Å; Y265-L316 HydrophobicContact CE2-CG 4.42Å; Y265-L316 HydrophobicContact CG-CD1 4.43Å; Y265-L316 HydrophobicContact CG-CD2 3.61Å; Y265-N336 PolarHBondContact OH-OD1 2.9Å; Y265-S339 WeakPolarHBondContact CD2-O 3.27Å; Y265-S339 VanDerWaalsContact CE2-CB 3.47Å; Y265-S339 WeakPolarHBondContact O-CB 3.39Å; Y265-S339 PolarHBondContact O-OG 2.99Å; Y265-L340 HydrophobicContact CE2-CD2 3.92Å; Y265-L340 HydrophobicContact CE2-CG 4.11Å; Y265-F343 HydrophobicContact CD2-CB 3.93Å; Y265-F343 HydrophobicContact CD2-CG 4.37Å |
| 266 | S | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.6 | -43.1 | -176.7 | 171.6 | 0 | 0 | 0 | 0 | 113 | A262 H269 Y273 N286 G287 | A262-S266 WeakPolarHBondContact O-CB 3.25Å; A262-S266 PolarHBondContact O-N 2.82Å; S266-H269 WeakPolarHBondContact O-CB 3.38Å; S266-H269 PolarHBondContact O-N 3.21Å; S266-Y273 PolarHBondContact O-N 2.59Å; S266-Y273 WeakPolarHBondContact OG-CA 3.43Å; S266-Y273 PolarHBondContact OG-N 3.41Å; S266-N286 PolarHBondContact OG-O 2.86Å; S266-G287 WeakPolarHBondContact OG-CA 3.39Å |
| 267 | R | 93.1 | Very high | 93.6 | Very high | 142 Ų | 142 | 42.9 Ų | 42.9 | 54% | 0.536 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -68.6 | -37.6 | 177.9 | -73.1 | 177.3 | -176.5 | 171.4 | 4.2 | 112.6 | P42 S263 H269 | P42-R267 WeakPolarHBondContact CD-O 3.28Å; P42-R267 WeakPolarHBondContact CG-O 3.23Å; S263-R267 WeakPolarHBondContact O-CB 3.47Å; S263-R267 WeakPolarHBondContact O-CG 3.45Å; S263-R267 PolarHBondContact O-N 2.95Å; S263-R267 VanDerWaalsContact O-N 3.09Å; S263-R267 PolarHBondContact OG-NE 2.81Å; S263-R267 VanDerWaalsContact OG-NE 3.09Å; R267-H269 PolarHBondContact O-N 3.17Å |
| 268 | A | 91.8 | Very high | 93 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -72 | -11.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | H45 V264 Y265 S339 A342 | H45-A268 PolarHBondContact CE1-O 3.22Å; V264-A268 VanDerWaalsContact O-CB 3.25Å; V264-A268 WeakPolarHBondContact O-CB 3.48Å; V264-A268 PolarHBondContact O-N 2.94Å; V264-A268 VanDerWaalsContact O-N 3.1Å; Y265-A268 PolarHBondContact O-N 2.88Å; A268-S339 PolarHBondContact O-OG 2.79Å; A268-A342 HydrophobicContact CB-CB 4.06Å |
| 269 | H | 93.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.009 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -86 | 142.6 | 177.8 | -171.9 | -50.2 | 0 | 0 | 0 | 109.7 | Y265 S266 R267 S271 M272 Y273 D335 N336 S339 | Y265-H269 PolarHBondContact O-N 3.26Å; Y265-H269 VanDerWaalsContact O-N 3.13Å; S266-H269 WeakPolarHBondContact O-CB 3.38Å; S266-H269 PolarHBondContact O-N 3.21Å; R267-H269 PolarHBondContact O-N 3.17Å; H269-S271 VanDerWaalsContact C-N 3.29Å; H269-S271 PolarHBondContact CE1-OG 2.79Å; H269-S271 PolarHBondContact ND1-N 2.83Å; H269-S271 PolarHBondContact O-N 2.79Å; H269-S271 VanDerWaalsContact O-N 3.14Å; H269-M272 HydrophobicContact CB-CB 3.76Å; H269-Y273 WeakPolarHBondContact O-CD1 3.32Å; H269-D335 PolarHBondContact ND1-O 3.43Å; H269-N336 PolarHBondContact CD2-OD1 3.11Å; H269-N336 PolarHBondContact NE2-ND2 3.1Å; H269-N336 PolarHBondContact NE2-OD1 3.23Å; H269-S339 WeakPolarHBondContact CA-OG 3.4Å; H269-S339 WeakPolarHBondContact CB-OG 3.28Å; H269-S339 PolarHBondContact N-OG 3.08Å |
| 270 | R | 89.7 | Confident | 91.3 | Very high | 148 Ų | 148 | 54.1 Ų | 54.1 | 56% | 0.558 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -50.3 | -39.5 | -178.4 | -173 | -177.5 | -177.1 | 173.4 | -1.3 | 116 | Y273 D335 | R270-Y273 WeakPolarHBondContact O-CE1 3.41Å; R270-D335 HydrophobicContact CB-CB 4.16Å; R270-D335 WeakPolarHBondContact CD-OD1 2.85Å; R270-D335 WeakPolarHBondContact CD-OD2 3.41Å; R270-D335 IonicContact CZ-OD1 2.87Å; R270-D335 PolarHBondContact N-O 3.02Å; R270-D335 IonicContact NE-OD1 2.7Å; R270-D335 IonicContact NH1-OD1 3.2Å; R270-D335 PolarHBondContact NH1-OD1 2.72Å |
| 271 | S | 90.7 | Very high | 90.5 | Very high | 35 Ų | 35 | 62.1 Ų | 62.1 | 25% | 0.245 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -133.7 | -24.6 | -168.7 | 50.1 | 0 | 0 | 0 | 0 | 114.6 | H269 Y273 L274 | H269-S271 VanDerWaalsContact C-N 3.29Å; H269-S271 PolarHBondContact CE1-OG 2.79Å; H269-S271 PolarHBondContact ND1-N 2.83Å; H269-S271 PolarHBondContact O-N 2.79Å; H269-S271 VanDerWaalsContact O-N 3.14Å; S271-Y273 VanDerWaalsContact C-N 3.32Å; S271-Y273 PolarHBondContact O-N 3.21Å; S271-L274 VanDerWaalsContact O-CB 3.22Å; S271-L274 WeakPolarHBondContact O-CB 3.45Å; S271-L274 VanDerWaalsContact O-CG 3.31Å; S271-L274 WeakPolarHBondContact O-CG 3.48Å; S271-L274 PolarHBondContact O-N 2.86Å |
| 272 | M | 94.7 | Very high | 89.7 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -54.3 | -43.9 | -174 | -171.5 | -179.8 | -77.3 | 0 | 0 | 112.9 | L233 A235 Y265 H269 L274 G275 G287 E317 | L233-M272 HydrophobicContact CD1-CB 4.47Å; L233-M272 HydrophobicContact CD1-CE 3.82Å; L233-M272 HydrophobicContact CG-CB 4.2Å; L233-M272 HydrophobicContact CG-CE 4.31Å; L233-M272 HydrophobicContact CG-CG 4.26Å; A235-M272 HydrophobicContact CB-SD 4.11Å; Y265-M272 HydrophobicContact CD1-CE 4.42Å; Y265-M272 HydrophobicContact CD1-SD 4.16Å; Y265-M272 HydrophobicContact CE1-CE 4.24Å; H269-M272 HydrophobicContact CB-CB 3.76Å; M272-L274 PolarHBondContact O-N 2.75Å; M272-G275 PolarHBondContact O-N 2.72Å; M272-G287 WeakPolarHBondContact O-CA 3.37Å; M272-E317 VanDerWaalsContact CE-O 3.31Å; M272-E317 WeakPolarHBondContact CE-O 3.33Å |
| 273 | Y | 91.9 | Very high | 89.3 | Confident | 99 Ų | 99 | 70.5 Ų | 70.5 | 39% | 0.388 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -58.4 | -19.4 | 179.4 | 76.2 | -88.7 | 0 | 0 | 0 | 115.1 | P42 S266 H269 R270 S271 G275 N286 | P42-Y273 HydrophobicContact CG-CE1 4.3Å; S266-Y273 PolarHBondContact O-N 2.59Å; S266-Y273 WeakPolarHBondContact OG-CA 3.43Å; S266-Y273 PolarHBondContact OG-N 3.41Å; H269-Y273 WeakPolarHBondContact O-CD1 3.32Å; R270-Y273 WeakPolarHBondContact O-CE1 3.41Å; S271-Y273 VanDerWaalsContact C-N 3.32Å; S271-Y273 PolarHBondContact O-N 3.21Å; Y273-G275 PolarHBondContact O-N 3.33Å; Y273-N286 CarbonylContact O-C 3.57Å; Y273-N286 WeakPolarHBondContact O-CA 3.36Å |
| 274 | L | 92.2 | Very high | 89.2 | Confident | 104 Ų | 104 | 70.1 Ų | 70.1 | 55% | 0.545 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -66.4 | -19.5 | 175 | -59.2 | 172.6 | 0 | 0 | 0 | 112.1 | S271 M272 R276 | S271-L274 VanDerWaalsContact O-CB 3.22Å; S271-L274 WeakPolarHBondContact O-CB 3.45Å; S271-L274 VanDerWaalsContact O-CG 3.31Å; S271-L274 WeakPolarHBondContact O-CG 3.48Å; S271-L274 PolarHBondContact O-N 2.86Å; M272-L274 PolarHBondContact O-N 2.75Å; L274-R276 VanDerWaalsContact C-N 3.32Å; L274-R276 PolarHBondContact O-N 2.66Å |
| 275 | G | 91.4 | Very high | 89.1 | Confident | 4 Ų | 4 | 73.9 Ų | 73.9 | 4% | 0.041 | 35% | 0.35 | C | S | . | . | trans | 71.3 | 22.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | M272 Y273 T283 F284 | M272-G275 PolarHBondContact O-N 2.72Å; Y273-G275 PolarHBondContact O-N 3.33Å; G275-T283 CarbonylContact O-C 3.57Å; G275-T283 WeakPolarHBondContact O-CA 3.4Å; G275-T283 VanDerWaalsContact O-CB 3.3Å; G275-T283 WeakPolarHBondContact O-CB 3.18Å; G275-F284 WeakPolarHBondContact CA-O 3.28Å; G275-F284 PolarHBondContact O-N 3.38Å | ||
| 276 | R | 89.3 | Confident | 89 | Confident | 201 Ų | 201 | 78.3 Ų | 78.3 | 76% | 0.758 | 37% | 0.374 | S | S | * | . | trans | -136.6 | 81.7 | -174.3 | -64.6 | -179.6 | -173.2 | -173.4 | 0.9 | 109.8 | L274 T283 | L274-R276 VanDerWaalsContact C-N 3.32Å; L274-R276 PolarHBondContact O-N 2.66Å; R276-T283 HydrophobicContact CG-CG2 4.12Å | ||
| 277 | P | 87.3 | Confident | 89 | Confident | 12 Ų | 12 | 78.3 Ų | 78.3 | 8% | 0.078 | 37% | 0.374 | C | S | . | . | trans | -59.4 | 150.1 | 168 | 29.6 | -38.4 | 0 | 0 | 0 | 110.3 | L233 C279 D280 F284 | L233-P277 HydrophobicContact CB-CB 4.13Å; P277-C279 VanDerWaalsContact C-N 3.29Å; P277-C279 PolarHBondContact O-N 2.92Å; P277-D280 HydrophobicContact CB-CB 4.48Å; P277-D280 HydrophobicContact CG-CB 3.69Å; P277-F284 HydrophobicContact CG-CD2 4.28Å; P277-F284 HydrophobicContact CG-CE2 3.97Å | ||
| 278 | E | 82.5 | Confident | 89.2 | Confident | 200 Ų | 200 | 72.6 Ų | 72.6 | 94% | 0.935 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -78.3 | -14.9 | 178.4 | -61.1 | -171.4 | 165.3 | 0 | 0 | 113.2 | ||
| 279 | C | 83.3 | Confident | 89.4 | Confident | 63 Ų | 63 | 73 Ų | 73 | 43% | 0.426 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -103.6 | -13.3 | -173 | 48 | 0 | 0 | 0 | 0 | 115.5 | P277 C320 | P277-C279 VanDerWaalsContact C-N 3.29Å; P277-C279 PolarHBondContact O-N 2.92Å; C279-C320 HydrophobicContact CB-CB 3.48Å; C279-C320 VanDerWaalsContact CB-CB 3.48Å; C279-C320 WeakPolarHBondContact CB-SG 3.44Å; C279-C320 PolarHBondContact N-SG 2.71Å; C279-C320 VanDerWaalsContact N-SG 3.37Å; C279-C320 WeakPolarHBondContact SG-CA 3.38Å; C279-C320 WeakPolarHBondContact SG-CB 3.16Å; C279-C320 CovalentContact SG-SG 2.03Å; C279-C320 PolarHBondContact SG-SG 2.9Å |
| 280 | D | 76.1 | Confident | 89.6 | Confident | 49 Ų | 49 | 73 Ų | 73 | 26% | 0.262 | 36% | 0.356 | S | S | . | . | trans | -115.1 | 144.8 | -178.3 | -159.2 | -22.5 | 0 | 0 | 0 | 110.1 | P277 M282 | P277-D280 HydrophobicContact CB-CB 4.48Å; P277-D280 HydrophobicContact CG-CB 3.69Å; D280-M282 VanDerWaalsContact C-N 3.27Å; D280-M282 WeakPolarHBondContact OD1-CB 3.48Å; D280-M282 WeakPolarHBondContact OD1-CG 3.46Å; D280-M282 PolarHBondContact OD1-N 3.28Å | ||
| 281 | F | 77.5 | Confident | 89.9 | Confident | 214 Ų | 214 | 66.1 Ų | 66.1 | 94% | 0.939 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -77.8 | -18.4 | 169.2 | -59.5 | -77 | 0 | 0 | 0 | 111.4 | ||
| 282 | M | 80.8 | Confident | 90.2 | Very high | 84 Ų | 84 | 64.4 Ų | 64.4 | 41% | 0.414 | 32% | 0.319 | S | S | . | . | trans | -77.3 | 138.7 | 174 | -60.8 | -174.3 | 64 | 0 | 0 | 111.5 | D280 F284 | D280-M282 VanDerWaalsContact C-N 3.27Å; D280-M282 WeakPolarHBondContact OD1-CB 3.48Å; D280-M282 WeakPolarHBondContact OD1-CG 3.46Å; D280-M282 PolarHBondContact OD1-N 3.28Å; M282-F284 HydrophobicContact CB-CE1 4.32Å; M282-F284 HydrophobicContact CB-CZ 4.22Å | ||
| 283 | T | 88.1 | Confident | 90.2 | Very high | 92 Ų | 92 | 67.5 Ų | 67.5 | 56% | 0.564 | 34% | 0.336 | S | S | * | . | trans | -108.4 | 131.9 | 172.7 | 60.6 | 0 | 0 | 0 | 0 | 110.2 | G275 R276 P285 | G275-T283 CarbonylContact O-C 3.57Å; G275-T283 WeakPolarHBondContact O-CA 3.4Å; G275-T283 VanDerWaalsContact O-CB 3.3Å; G275-T283 WeakPolarHBondContact O-CB 3.18Å; R276-T283 HydrophobicContact CG-CG2 4.12Å; T283-P285 WeakPolarHBondContact O-CD 3.18Å | ||
| 284 | F | 93.8 | Very high | 90.2 | Very high | 6 Ų | 6 | 64.3 Ų | 64.3 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | trans | -103.1 | 103.8 | -179.1 | -53.4 | -65.7 | 0 | 0 | 0 | 110.3 | V234 G275 P277 M282 N286 G287 T289 W294 | V234-F284 HydrophobicContact CB-CD2 3.65Å; V234-F284 HydrophobicContact CB-CE2 3.99Å; V234-F284 HydrophobicContact CB-CG 4.04Å; V234-F284 HydrophobicContact CG1-CD2 4.28Å; V234-F284 HydrophobicContact CG1-CE2 4.12Å; V234-F284 HydrophobicContact CG1-CZ 4.46Å; V234-F284 HydrophobicContact CG2-CB 3.77Å; V234-F284 HydrophobicContact CG2-CD1 4.05Å; V234-F284 HydrophobicContact CG2-CD2 3.74Å; V234-F284 HydrophobicContact CG2-CE2 4.36Å; V234-F284 HydrophobicContact CG2-CG 3.57Å; G275-F284 WeakPolarHBondContact CA-O 3.28Å; G275-F284 PolarHBondContact O-N 3.38Å; P277-F284 HydrophobicContact CG-CD2 4.28Å; P277-F284 HydrophobicContact CG-CE2 3.97Å; M282-F284 HydrophobicContact CB-CE1 4.32Å; M282-F284 HydrophobicContact CB-CZ 4.22Å; F284-N286 PolarHBondContact O-N 3.24Å; F284-G287 WeakPolarHBondContact O-CA 3.42Å; F284-G287 PolarHBondContact O-N 3.32Å; F284-T289 HydrophobicContact CD1-CG2 4.3Å; F284-T289 HydrophobicContact CE1-CG2 4.45Å; F284-W294 AromaticContact CE1-CD1 3.74Å; F284-W294 HydrophobicContact CE1-CD2 4.11Å; F284-W294 AromaticContact CE1-CG 3.91Å; F284-W294 HydrophobicContact CE1-CG 3.91Å; F284-W294 AromaticContact CE1-NE1 3.81Å; F284-W294 AromaticContact CZ-CD1 3.93Å; F284-W294 HydrophobicContact CZ-CD2 4.09Å; F284-W294 AromaticContact CZ-CE2 3.63Å; F284-W294 HydrophobicContact CZ-CG 4.28Å; F284-W294 HydrophobicContact CZ-CZ2 4.08Å; F284-W294 AromaticContact CZ-NE1 3.49Å | ||
| 285 | P | 92.2 | Very high | 90.2 | Very high | 95 Ų | 95 | 63.6 Ų | 63.6 | 62% | 0.617 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -59.3 | 123.5 | -173.8 | -25.5 | 36.1 | 0 | 0 | 0 | 112.6 | T283 G287 | T283-P285 WeakPolarHBondContact O-CD 3.18Å; P285-G287 PolarHBondContact O-N 3.3Å |
| 286 | N | 93.7 | Very high | 90.2 | Very high | 92 Ų | 92 | 64.7 Ų | 64.7 | 49% | 0.492 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | 64.1 | 19.6 | -171.7 | -40.4 | -88.7 | 0 | 0 | 0 | 114.7 | S266 Y273 F284 I288 | S266-N286 PolarHBondContact OG-O 2.86Å; Y273-N286 CarbonylContact O-C 3.57Å; Y273-N286 WeakPolarHBondContact O-CA 3.36Å; F284-N286 PolarHBondContact O-N 3.24Å; N286-I288 VanDerWaalsContact C-N 3.3Å; N286-I288 PolarHBondContact O-N 3.26Å |
| 287 | G | 95.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | 70.4 | 19.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | V234 A235 S266 M272 F284 P285 | V234-G287 WeakPolarHBondContact CG2-O 3.45Å; A235-G287 PolarHBondContact N-O 2.88Å; S266-G287 WeakPolarHBondContact OG-CA 3.39Å; M272-G287 WeakPolarHBondContact O-CA 3.37Å; F284-G287 WeakPolarHBondContact O-CA 3.42Å; F284-G287 PolarHBondContact O-N 3.32Å; P285-G287 PolarHBondContact O-N 3.3Å |
| 288 | I | 97 | Very high | 90.6 | Very high | 23 Ų | 23 | 56.2 Ų | 56.2 | 12% | 0.118 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 151.4 | 179.3 | 69.2 | 175.6 | 0 | 0 | 0 | 111.1 | A235 Y237 A262 N286 | A235-I288 HydrophobicContact CB-CG2 4.36Å; A235-I288 VanDerWaalsContact O-CA 3.3Å; A235-I288 WeakPolarHBondContact O-CA 3.08Å; Y237-I288 HydrophobicContact CD1-CB 4.46Å; Y237-I288 HydrophobicContact CE1-CB 4.12Å; Y237-I288 HydrophobicContact CE1-CD1 4.13Å; Y237-I288 HydrophobicContact CE1-CG1 4.2Å; A262-I288 HydrophobicContact CB-CB 4.18Å; A262-I288 HydrophobicContact CB-CG2 3.78Å; A262-I288 WeakPolarHBondContact O-CG2 3.15Å; N286-I288 VanDerWaalsContact C-N 3.3Å; N286-I288 PolarHBondContact O-N 3.26Å |
| 289 | T | 96.8 | Very high | 91.2 | Very high | 10 Ų | 10 | 46.7 Ų | 46.7 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 149.1 | 171.3 | -167.9 | 0 | 0 | 0 | 0 | 112.2 | V234 A235 S236 Y237 F284 W294 | V234-T289 HydrophobicContact CG1-CG2 4.45Å; V234-T289 HydrophobicContact CG2-CG2 3.74Å; A235-T289 PolarHBondContact O-N 3.08Å; S236-T289 CarbonylContact C-O 3.58Å; S236-T289 VanDerWaalsContact CA-O 3.29Å; S236-T289 WeakPolarHBondContact CA-O 3.49Å; Y237-T289 WeakPolarHBondContact CD1-O 3.31Å; Y237-T289 WeakPolarHBondContact CE1-O 3.05Å; Y237-T289 PolarHBondContact N-O 2.91Å; F284-T289 HydrophobicContact CD1-CG2 4.3Å; F284-T289 HydrophobicContact CE1-CG2 4.45Å; T289-W294 HydrophobicContact CG2-CB 3.98Å; T289-W294 HydrophobicContact CG2-CD2 4.34Å; T289-W294 HydrophobicContact CG2-CE3 3.98Å; T289-W294 HydrophobicContact CG2-CG 4.39Å |
| 290 | N | 97.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 136.3 | 158.9 | 166.4 | -114.4 | 0 | 0 | 0 | 108.6 | Y237 P238 F239 Y249 S250 N293 W294 | Y237-N290 HydrophobicContact CE2-CB 3.84Å; Y237-N290 WeakPolarHBondContact O-CA 3.4Å; Y237-N290 PolarHBondContact O-ND2 3.07Å; P238-N290 VanDerWaalsContact C-ND2 3.33Å; P238-N290 PolarHBondContact O-ND2 3.34Å; F239-N290 PolarHBondContact N-ND2 2.81Å; F239-N290 VanDerWaalsContact N-ND2 3.16Å; F239-N290 PolarHBondContact O-ND2 3.32Å; Y249-N290 HydrophobicContact CD2-CB 3.95Å; Y249-N290 HydrophobicContact CE2-CB 3.49Å; Y249-N290 VanDerWaalsContact CE2-CB 3.49Å; S250-N290 PolarHBondContact N-OD1 2.91Å; S250-N290 PolarHBondContact O-ND2 2.86Å; S250-N290 VanDerWaalsContact O-ND2 3.12Å; N290-N293 HydrophobicContact CB-CB 3.99Å; N290-N293 WeakPolarHBondContact O-CB 3.39Å; N290-N293 PolarHBondContact O-N 2.92Å; N290-N293 WeakPolarHBondContact OD1-CB 3.32Å; N290-N293 PolarHBondContact OD1-N 3.38Å; N290-W294 PolarHBondContact O-N 3.47Å |
| 291 | G | 96.2 | Very high | 92.8 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.9 | -58.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S236 Y237 D240 N293 W294 Y295 | S236-G291 VanDerWaalsContact OG-CA 3.32Å; S236-G291 WeakPolarHBondContact OG-CA 3.33Å; Y237-G291 PolarHBondContact O-N 2.84Å; D240-G291 WeakPolarHBondContact OD1-CA 3.42Å; G291-N293 PolarHBondContact O-N 3.33Å; G291-N293 VanDerWaalsContact O-N 3.07Å; G291-W294 WeakPolarHBondContact O-CA 3.21Å; G291-W294 WeakPolarHBondContact O-CB 3.44Å; G291-W294 PolarHBondContact O-N 2.77Å; G291-Y295 CarbonylContact C-O 3.53Å; G291-Y295 PolarHBondContact O-N 2.98Å |
| 292 | N | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.3 | -22.9 | 179.7 | -171.2 | 80.8 | 0 | 0 | 0 | 113.3 | F239 D240 S242 T246 T247 Y248 P296 | F239-N292 WeakPolarHBondContact O-CB 3.45Å; F239-N292 PolarHBondContact O-N 3.48Å; D240-N292 VanDerWaalsContact O-CA 3.3Å; D240-N292 WeakPolarHBondContact O-CA 3.46Å; D240-N292 WeakPolarHBondContact O-CB 2.91Å; D240-N292 PolarHBondContact O-N 3.29Å; S242-N292 WeakPolarHBondContact CB-OD1 3.2Å; S242-N292 PolarHBondContact N-OD1 2.8Å; S242-N292 VanDerWaalsContact N-OD1 3.13Å; S242-N292 PolarHBondContact OG-OD1 3.13Å; T246-N292 PolarHBondContact O-ND2 3.04Å; T247-N292 WeakPolarHBondContact CA-O 3.5Å; T247-N292 WeakPolarHBondContact CG2-O 3.45Å; Y248-N292 PolarHBondContact N-ND2 3.35Å; Y248-N292 PolarHBondContact N-O 3.38Å; Y248-N292 CarbonylContact O-C 3.53Å; Y248-N292 PolarHBondContact O-ND2 3.49Å; N292-P296 WeakPolarHBondContact OD1-CA 3.43Å; N292-P296 WeakPolarHBondContact OD1-CB 3.4Å |
| 293 | N | 94.5 | Very high | 94.5 | Very high | 65 Ų | 65 | 27.5 Ų | 27.5 | 35% | 0.348 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -77.3 | -22.3 | 174.5 | -166.1 | 85.8 | 0 | 0 | 0 | 113.2 | T247 Y248 Y249 N290 G291 | T247-N293 VanDerWaalsContact CG2-O 3.27Å; T247-N293 WeakPolarHBondContact CG2-O 3.25Å; Y248-N293 WeakPolarHBondContact O-CA 3Å; Y248-N293 PolarHBondContact O-N 3.48Å; Y249-N293 HydrophobicContact CD2-CB 4.25Å; Y249-N293 PolarHBondContact N-OD1 3.26Å; N290-N293 HydrophobicContact CB-CB 3.99Å; N290-N293 WeakPolarHBondContact O-CB 3.39Å; N290-N293 PolarHBondContact O-N 2.92Å; N290-N293 WeakPolarHBondContact OD1-CB 3.32Å; N290-N293 PolarHBondContact OD1-N 3.38Å; G291-N293 PolarHBondContact O-N 3.33Å; G291-N293 VanDerWaalsContact O-N 3.07Å |
| 294 | W | 93 | Very high | 94.9 | Very high | 33 Ų | 33 | 23.5 Ų | 23.5 | 13% | 0.125 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -83.5 | -58.2 | 169.2 | -175.9 | 19.3 | 0 | 0 | 0 | 109.6 | V234 F284 T289 N290 G291 E317 | V234-W294 HydrophobicContact CG1-CE3 4.18Å; V234-W294 HydrophobicContact CG1-CH2 3.93Å; V234-W294 HydrophobicContact CG1-CZ3 3.71Å; F284-W294 AromaticContact CE1-CD1 3.74Å; F284-W294 HydrophobicContact CE1-CD2 4.11Å; F284-W294 AromaticContact CE1-CG 3.91Å; F284-W294 HydrophobicContact CE1-CG 3.91Å; F284-W294 AromaticContact CE1-NE1 3.81Å; F284-W294 AromaticContact CZ-CD1 3.93Å; F284-W294 HydrophobicContact CZ-CD2 4.09Å; F284-W294 AromaticContact CZ-CE2 3.63Å; F284-W294 HydrophobicContact CZ-CG 4.28Å; F284-W294 HydrophobicContact CZ-CZ2 4.08Å; F284-W294 AromaticContact CZ-NE1 3.49Å; T289-W294 HydrophobicContact CG2-CB 3.98Å; T289-W294 HydrophobicContact CG2-CD2 4.34Å; T289-W294 HydrophobicContact CG2-CE3 3.98Å; T289-W294 HydrophobicContact CG2-CG 4.39Å; N290-W294 PolarHBondContact O-N 3.47Å; G291-W294 WeakPolarHBondContact O-CA 3.21Å; G291-W294 WeakPolarHBondContact O-CB 3.44Å; G291-W294 PolarHBondContact O-N 2.77Å; W294-E317 HydrophobicContact CH2-CG 3.87Å; W294-E317 HydrophobicContact CZ3-CG 3.93Å |
| 295 | Y | 90.8 | Very high | 95 | Very high | 89 Ų | 89 | 23.2 Ų | 23.2 | 35% | 0.349 | 12% | 0.122 | S | C | . | . | trans | -158.6 | 148.1 | 166.3 | 56.5 | -97.1 | 0 | 0 | 0 | 111.3 | G291 L297 | G291-Y295 CarbonylContact C-O 3.53Å; G291-Y295 PolarHBondContact O-N 2.98Å; Y295-L297 HydrophobicContact CD2-CB 4.44Å; Y295-L297 HydrophobicContact CE2-CB 4.23Å; Y295-L297 HydrophobicContact CE2-CD1 4.23Å; Y295-L297 PolarHBondContact O-N 2.99Å | ||
| 296 | P | 91.9 | Very high | 95.2 | Very high | 27 Ų | 27 | 18.8 Ų | 18.8 | 18% | 0.175 | 9% | 0.093 | C | C | . | . | trans | -66.3 | 127.1 | 176.7 | 26.5 | -35 | 0 | 0 | 0 | 112.1 | M245 T247 N292 | M245-P296 HydrophobicContact CB-CB 4.23Å; M245-P296 HydrophobicContact CB-CG 4.31Å; T247-P296 WeakPolarHBondContact OG1-CD 3.35Å; N292-P296 WeakPolarHBondContact OD1-CA 3.43Å; N292-P296 WeakPolarHBondContact OD1-CB 3.4Å | ||
| 297 | L | 92.3 | Very high | 95.2 | Very high | 10 Ų | 10 | 17.8 Ų | 17.8 | 5% | 0.052 | 9% | 0.087 | C | C | . | . | trans | -129.6 | 126.9 | 176 | 177 | 168.5 | 0 | 0 | 0 | 108.9 | R191 D240 G241 Y295 | R191-L297 VanDerWaalsContact NH1-CD1 3.35Å; D240-L297 CarbonylContact C-O 3.57Å; D240-L297 HydrophobicContact CB-CB 4.15Å; D240-L297 HydrophobicContact CB-CD2 4.11Å; D240-L297 PolarHBondContact O-N 3.08Å; G241-L297 WeakPolarHBondContact CA-O 3.46Å; G241-L297 PolarHBondContact N-O 3.25Å; Y295-L297 HydrophobicContact CD2-CB 4.44Å; Y295-L297 HydrophobicContact CE2-CB 4.23Å; Y295-L297 HydrophobicContact CE2-CD1 4.23Å; Y295-L297 PolarHBondContact O-N 2.99Å | ||
| 298 | Q | 93.4 | Very high | 95 | Very high | 25 Ų | 25 | 21.4 Ų | 21.4 | 12% | 0.117 | 11% | 0.109 | C | C | . | . | trans | -113.7 | 147.7 | 172.3 | -66.4 | -176.4 | -1.5 | 0 | 0 | 110.2 | R191 D195 F197 T200 S242 | R191-Q298 VanDerWaalsContact CD-O 3.27Å; R191-Q298 WeakPolarHBondContact CD-O 3.07Å; D195-Q298 VanDerWaalsContact OD2-CA 3.29Å; D195-Q298 WeakPolarHBondContact OD2-CA 3.47Å; F197-Q298 HydrophobicContact CD2-CG 4.2Å; T200-Q298 HydrophobicContact CG2-CB 3.97Å; S242-Q298 PolarHBondContact O-NE2 2.77Å | ||
| 299 | G | 94.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | S | Bend | trans | 77.2 | 24.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | N190 R191 N192 F193 D195 | N190-G299 CarbonylContact C-O 3.23Å; R191-G299 CarbonylContact C-O 3.6Å; R191-G299 VanDerWaalsContact CA-O 3.28Å; R191-G299 WeakPolarHBondContact CA-O 3.47Å; R191-G299 PolarHBondContact N-O 2.93Å; N192-G299 PolarHBondContact N-O 2.79Å; F193-G299 WeakPolarHBondContact CB-O 3.14Å; F193-G299 PolarHBondContact N-O 2.75Å; F193-G299 WeakPolarHBondContact O-CA 3.43Å; D195-G299 PolarHBondContact OD2-N 3.36Å |
| 300 | G | 95.7 | Very high | 94.5 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 2% | 0.021 | 12% | 0.12 | C | C | . | . | trans | -81.3 | 152.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | N190 Q302 W304 | N190-G300 VanDerWaalsContact OD1-CA 3.28Å; N190-G300 WeakPolarHBondContact OD1-CA 3.49Å; G300-Q302 VanDerWaalsContact C-N 3.29Å; G300-Q302 PolarHBondContact O-N 2.81Å; G300-W304 WeakPolarHBondContact O-CB 3.39Å; G300-W304 PolarHBondContact O-N 3.44Å | ||
| 301 | M | 97.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.1 | -32.9 | 178.3 | -172.3 | 170.6 | 77.6 | 0 | 0 | 112.8 | V116 M119 N190 F193 I213 N227 W304 N305 E313 | V116-M301 HydrophobicContact CB-CE 3.82Å; V116-M301 HydrophobicContact CG1-CE 4.03Å; V116-M301 HydrophobicContact CG2-CE 3.9Å; M119-M301 HydrophobicContact CE-CB 3.84Å; M119-M301 HydrophobicContact CE-CE 3.4Å; M119-M301 VanDerWaalsContact CE-CE 3.4Å; M119-M301 HydrophobicContact CE-CG 4.28Å; M119-M301 HydrophobicContact CE-SD 3.5Å; M119-M301 VanDerWaalsContact CE-SD 3.5Å; N190-M301 PolarHBondContact OD1-N 3.44Å; F193-M301 HydrophobicContact CD1-CG 4.49Å; F193-M301 HydrophobicContact CD2-CB 4Å; F193-M301 HydrophobicContact CE1-CB 4.17Å; F193-M301 HydrophobicContact CE1-CG 3.83Å; F193-M301 HydrophobicContact CE1-SD 4.36Å; F193-M301 HydrophobicContact CE2-CB 3.59Å; F193-M301 HydrophobicContact CE2-CG 4.07Å; F193-M301 HydrophobicContact CE2-SD 4.5Å; F193-M301 HydrophobicContact CG-CB 4.47Å; F193-M301 HydrophobicContact CZ-CB 3.69Å; F193-M301 HydrophobicContact CZ-CG 3.6Å; F193-M301 HydrophobicContact CZ-SD 3.81Å; I213-M301 HydrophobicContact CG2-SD 3.63Å; N227-M301 HydrophobicContact CB-CE 4Å; M301-W304 PolarHBondContact O-N 3.09Å; M301-N305 WeakPolarHBondContact CG-ND2 3.31Å; M301-N305 WeakPolarHBondContact O-CB 3.32Å; M301-N305 PolarHBondContact O-N 3.14Å; M301-E313 WeakPolarHBondContact CE-OE1 3.33Å; M301-E313 WeakPolarHBondContact CE-OE2 3.4Å |
| 302 | Q | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.2 | -57.4 | -172.5 | -172.4 | -163.8 | -98.6 | 0 | 0 | 112 | S236 P238 D240 G300 W304 N305 Y306 E313 T315 | S236-Q302 PolarHBondContact O-OE1 2.77Å; P238-Q302 HydrophobicContact CG-CG 3.89Å; D240-Q302 PolarHBondContact OD1-NE2 3Å; D240-Q302 PolarHBondContact OD2-NE2 2.78Å; D240-Q302 VanDerWaalsContact OD2-NE2 3.08Å; G300-Q302 VanDerWaalsContact C-N 3.29Å; G300-Q302 PolarHBondContact O-N 2.81Å; Q302-W304 VanDerWaalsContact C-N 3.29Å; Q302-W304 PolarHBondContact O-N 2.95Å; Q302-N305 PolarHBondContact O-N 2.87Å; Q302-Y306 PolarHBondContact O-N 2.74Å; Q302-E313 VanDerWaalsContact CA-OE1 3.28Å; Q302-E313 WeakPolarHBondContact CA-OE1 3.46Å; Q302-E313 HydrophobicContact CB-CB 4.37Å; Q302-E313 HydrophobicContact CB-CG 4.23Å; Q302-E313 HydrophobicContact CG-CB 3.91Å; Q302-E313 HydrophobicContact CG-CG 4Å; Q302-E313 WeakPolarHBondContact CG-O 3.29Å; Q302-E313 PolarHBondContact N-OE1 3.39Å; Q302-T315 PolarHBondContact OE1-OG1 2.85Å |
| 303 | D | 96.6 | Very high | 94.6 | Very high | 4 Ų | 4 | 22.5 Ų | 22.5 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.8 | -35.8 | 177 | -76.4 | 13.8 | 0 | 0 | 0 | 111.2 | F239 D240 G241 L307 | F239-D303 WeakPolarHBondContact CB-OD2 3.38Å; F239-D303 HydrophobicContact CD1-CB 4.45Å; F239-D303 WeakPolarHBondContact CD1-OD2 3.37Å; D240-D303 VanDerWaalsContact N-CG 3.35Å; D240-D303 PolarHBondContact N-OD1 3.39Å; D240-D303 PolarHBondContact N-OD2 2.88Å; G241-D303 PolarHBondContact N-OD2 2.76Å; D303-L307 VanDerWaalsContact O-CB 3.31Å; D303-L307 WeakPolarHBondContact O-CB 3.38Å; D303-L307 VanDerWaalsContact O-CG 3.26Å; D303-L307 WeakPolarHBondContact O-CG 3.45Å; D303-L307 PolarHBondContact O-N 2.83Å |
| 304 | W | 96.5 | Very high | 94.7 | Very high | 9 Ų | 9 | 19.4 Ų | 19.4 | 3% | 0.034 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.7 | -46.9 | 175.7 | -178.3 | 88.3 | 0 | 0 | 0 | 112.6 | F193 M214 Q218 G300 M301 Q302 Y306 L307 V308 T309 | F193-W304 HydrophobicContact CB-CB 4.04Å; F193-W304 HydrophobicContact CB-CG 4.13Å; F193-W304 HydrophobicContact CD1-CB 4.29Å; F193-W304 AromaticContact CD1-CD2 3.94Å; F193-W304 HydrophobicContact CD1-CD2 3.94Å; F193-W304 HydrophobicContact CD1-CE3 4.08Å; F193-W304 HydrophobicContact CD1-CG 4.01Å; F193-W304 HydrophobicContact CE1-CE3 4.34Å; F193-W304 HydrophobicContact CG-CB 4.44Å; F193-W304 HydrophobicContact CG-CG 4.49Å; M214-W304 HydrophobicContact CB-CH2 3.76Å; M214-W304 HydrophobicContact CB-CZ2 3.77Å; M214-W304 HydrophobicContact CB-CZ3 4.47Å; M214-W304 HydrophobicContact CE-CZ2 3.93Å; M214-W304 HydrophobicContact CG-CD2 4.36Å; M214-W304 HydrophobicContact CG-CH2 3.85Å; M214-W304 HydrophobicContact CG-CZ2 3.62Å; M214-W304 HydrophobicContact CG-CZ3 4.28Å; M214-W304 WeakPolarHBondContact O-CH2 3.21Å; Q218-W304 HydrophobicContact CG-CH2 4.17Å; G300-W304 WeakPolarHBondContact O-CB 3.39Å; G300-W304 PolarHBondContact O-N 3.44Å; M301-W304 PolarHBondContact O-N 3.09Å; Q302-W304 VanDerWaalsContact C-N 3.29Å; Q302-W304 PolarHBondContact O-N 2.95Å; W304-Y306 PolarHBondContact O-N 2.83Å; W304-L307 PolarHBondContact O-N 3.2Å; W304-V308 HydrophobicContact CD2-CB 4.34Å; W304-V308 HydrophobicContact CD2-CG2 4.43Å; W304-V308 HydrophobicContact CG-CG2 4.26Å; W304-V308 HydrophobicContact CH2-CG1 4.44Å; W304-V308 HydrophobicContact CZ2-CB 4.13Å; W304-V308 HydrophobicContact CZ2-CG1 3.78Å; W304-V308 VanDerWaalsContact O-CB 3.29Å; W304-V308 WeakPolarHBondContact O-CB 3.48Å; W304-V308 PolarHBondContact O-N 3.21Å; W304-T309 HydrophobicContact CH2-CG2 3.9Å; W304-T309 HydrophobicContact CZ3-CG2 3.88Å |
| 305 | N | 96.1 | Very high | 95 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | I | π-helix | trans | -58.8 | -48.7 | 178.5 | -90.6 | -37.1 | 0 | 0 | 0 | 110.4 | K114 M301 Q302 T309 G310 C311 E313 | K114-N305 WeakPolarHBondContact CE-ND2 3.42Å; K114-N305 VanDerWaalsContact NZ-CG 3.31Å; K114-N305 PolarHBondContact NZ-ND2 2.87Å; K114-N305 VanDerWaalsContact NZ-ND2 3.11Å; K114-N305 PolarHBondContact NZ-OD1 3.17Å; M301-N305 WeakPolarHBondContact CG-ND2 3.31Å; M301-N305 WeakPolarHBondContact O-CB 3.32Å; M301-N305 PolarHBondContact O-N 3.14Å; Q302-N305 PolarHBondContact O-N 2.87Å; N305-T309 WeakPolarHBondContact O-CA 3.4Å; N305-T309 WeakPolarHBondContact O-CB 3.3Å; N305-T309 PolarHBondContact O-N 3.22Å; N305-T309 PolarHBondContact O-OG1 3.47Å; N305-G310 PolarHBondContact O-N 3.28Å; N305-C311 CarbonylContact C-O 3.57Å; N305-C311 HydrophobicContact CB-CB 4.32Å; N305-C311 PolarHBondContact O-N 3.23Å; N305-E313 HydrophobicContact CB-CB 4.31Å; N305-E313 PolarHBondContact ND2-OE2 3.09Å |
| 306 | Y | 96.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 14 Ų | 14 | 0% | 0.004 | 8% | 0.083 | C | C | . | . | I | π-helix | trans | -60.8 | -51.2 | 177.9 | 173.2 | -124.3 | 0 | 0 | 0 | 112.1 | F239 P253 D254 F258 Q302 W304 G310 C311 H376 | F239-Y306 AromaticContact CE1-CD1 3.87Å; F239-Y306 HydrophobicContact CE1-CD1 3.87Å; F239-Y306 AromaticContact CE1-CE1 3.86Å; F239-Y306 HydrophobicContact CE1-CE1 3.86Å; F239-Y306 HydrophobicContact CZ-CD1 4.45Å; F239-Y306 AromaticContact CZ-CE1 3.99Å; F239-Y306 HydrophobicContact CZ-CE1 3.99Å; P253-Y306 WeakPolarHBondContact CD-OH 3.47Å; D254-Y306 HydrophobicContact CB-CE2 4.36Å; D254-Y306 PolarHBondContact N-OH 2.91Å; D254-Y306 PolarHBondContact OD2-OH 2.9Å; F258-Y306 HydrophobicContact CE2-CD1 4.27Å; F258-Y306 AromaticContact CE2-CD2 3.78Å; F258-Y306 HydrophobicContact CE2-CD2 3.78Å; F258-Y306 HydrophobicContact CE2-CE1 4.15Å; F258-Y306 AromaticContact CE2-CE2 3.63Å; F258-Y306 HydrophobicContact CE2-CE2 3.63Å; F258-Y306 HydrophobicContact CE2-CG 4.09Å; F258-Y306 AromaticContact CE2-CZ 3.81Å; F258-Y306 HydrophobicContact CZ-CD1 4.39Å; F258-Y306 AromaticContact CZ-CD2 3.61Å; F258-Y306 HydrophobicContact CZ-CD2 3.61Å; F258-Y306 AromaticContact CZ-CE2 3.95Å; F258-Y306 HydrophobicContact CZ-CE2 3.95Å; F258-Y306 AromaticContact CZ-CG 3.84Å; F258-Y306 HydrophobicContact CZ-CG 3.84Å; Q302-Y306 PolarHBondContact O-N 2.74Å; W304-Y306 PolarHBondContact O-N 2.83Å; Y306-G310 WeakPolarHBondContact O-CA 3.44Å; Y306-G310 PolarHBondContact O-N 3.14Å; Y306-C311 VanDerWaalsContact CA-O 3.26Å; Y306-C311 WeakPolarHBondContact CA-O 3.44Å; Y306-C311 PolarHBondContact N-O 3.13Å; Y306-H376 AromaticContact CD2-CE1 3.99Å; Y306-H376 HydrophobicContact CE2-CB 4.18Å; Y306-H376 AromaticContact CE2-CD2 3.49Å; Y306-H376 VanDerWaalsContact CE2-CD2 3.49Å; Y306-H376 WeakPolarHBondContact CE2-CD2 3.45Å; Y306-H376 AromaticContact CE2-CE1 3.86Å; Y306-H376 AromaticContact CE2-CG 3.51Å; Y306-H376 AromaticContact CE2-ND1 3.75Å; Y306-H376 AromaticContact CE2-NE2 3.74Å; Y306-H376 AromaticContact CZ-CG 3.7Å; Y306-H376 AromaticContact CZ-ND1 3.95Å; Y306-H376 PolarHBondContact O-CE1 2.9Å; Y306-H376 WeakPolarHBondContact OH-CB 3.22Å |
| 307 | L | 93.7 | Very high | 95.6 | Very high | 71 Ų | 71 | 13.3 Ų | 13.3 | 37% | 0.372 | 8% | 0.077 | S | C | . | . | I | π-helix | trans | -73.6 | -32.8 | -174 | -69.1 | 173.8 | 0 | 0 | 0 | 114.5 | Q196 F239 D303 W304 | Q196-L307 HydrophobicContact CB-CD1 3.87Å; Q196-L307 HydrophobicContact CG-CD1 4.14Å; F239-L307 HydrophobicContact CE1-CD1 4.06Å; F239-L307 HydrophobicContact CE1-CD2 3.9Å; F239-L307 HydrophobicContact CE1-CG 4.07Å; F239-L307 HydrophobicContact CZ-CD2 4.09Å; D303-L307 VanDerWaalsContact O-CB 3.31Å; D303-L307 WeakPolarHBondContact O-CB 3.38Å; D303-L307 VanDerWaalsContact O-CG 3.26Å; D303-L307 WeakPolarHBondContact O-CG 3.45Å; D303-L307 PolarHBondContact O-N 2.83Å; W304-L307 PolarHBondContact O-N 3.2Å |
| 308 | V | 92.5 | Very high | 95.7 | Very high | 76 Ų | 76 | 13 Ų | 13 | 46% | 0.461 | 8% | 0.075 | S | C | . | . | I | π-helix | trans | -101.3 | -30.3 | -171.9 | -178.9 | 0 | 0 | 0 | 0 | 112.9 | W304 | W304-V308 HydrophobicContact CD2-CB 4.34Å; W304-V308 HydrophobicContact CD2-CG2 4.43Å; W304-V308 HydrophobicContact CG-CG2 4.26Å; W304-V308 HydrophobicContact CH2-CG1 4.44Å; W304-V308 HydrophobicContact CZ2-CB 4.13Å; W304-V308 HydrophobicContact CZ2-CG1 3.78Å; W304-V308 VanDerWaalsContact O-CB 3.29Å; W304-V308 WeakPolarHBondContact O-CB 3.48Å; W304-V308 PolarHBondContact O-N 3.21Å |
| 309 | T | 91.4 | Very high | 95.7 | Very high | 42 Ų | 42 | 12.1 Ų | 12.1 | 26% | 0.258 | 7% | 0.073 | S | C | . | . | I | π-helix | trans | -114.4 | -19.8 | -175.8 | 75.3 | 0 | 0 | 0 | 0 | 113.4 | S217 Q218 W304 N305 C311 | S217-T309 VanDerWaalsContact O-CG2 3.3Å; S217-T309 WeakPolarHBondContact O-CG2 3.45Å; Q218-T309 HydrophobicContact CG-CG2 4.21Å; W304-T309 HydrophobicContact CH2-CG2 3.9Å; W304-T309 HydrophobicContact CZ3-CG2 3.88Å; N305-T309 WeakPolarHBondContact O-CA 3.4Å; N305-T309 WeakPolarHBondContact O-CB 3.3Å; N305-T309 PolarHBondContact O-N 3.22Å; N305-T309 PolarHBondContact O-OG1 3.47Å; T309-C311 WeakPolarHBondContact OG1-CB 3.39Å; T309-C311 PolarHBondContact OG1-N 2.94Å |
| 310 | G | 91.7 | Very high | 95.6 | Very high | 14 Ų | 14 | 13.8 Ų | 13.8 | 14% | 0.144 | 9% | 0.085 | C | C | . | . | trans | 80.4 | -2.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N305 Y306 M312 | N305-G310 PolarHBondContact O-N 3.28Å; Y306-G310 WeakPolarHBondContact O-CA 3.44Å; Y306-G310 PolarHBondContact O-N 3.14Å; G310-M312 PolarHBondContact O-N 3.35Å | ||
| 311 | C | 95.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | -68.4 | 118.2 | 175.2 | -174.6 | 0 | 0 | 0 | 0 | 110.5 | F222 S225 N305 Y306 T309 E313 | F222-C311 HydrophobicContact CB-CB 4.02Å; F222-C311 VanDerWaalsContact CB-SG 3.55Å; F222-C311 VanDerWaalsContact O-CA 3.31Å; F222-C311 WeakPolarHBondContact O-CA 3.37Å; F222-C311 WeakPolarHBondContact O-CB 3.32Å; S225-C311 VanDerWaalsContact CB-SG 3.57Å; N305-C311 CarbonylContact C-O 3.57Å; N305-C311 HydrophobicContact CB-CB 4.32Å; N305-C311 PolarHBondContact O-N 3.23Å; Y306-C311 VanDerWaalsContact CA-O 3.26Å; Y306-C311 WeakPolarHBondContact CA-O 3.44Å; Y306-C311 PolarHBondContact N-O 3.13Å; T309-C311 WeakPolarHBondContact OG1-CB 3.39Å; T309-C311 PolarHBondContact OG1-N 2.94Å; C311-E313 PolarHBondContact O-N 3.1Å | ||
| 312 | M | 96.7 | Very high | 95.4 | Very high | 4 Ų | 4 | 16.9 Ų | 16.9 | 2% | 0.02 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 109.1 | 177.7 | -67.5 | -175.7 | 176.8 | 0 | 0 | 110 | V223 L224 S225 D254 T257 F258 L261 G310 L390 | V223-M312 PolarHBondContact O-N 2.72Å; L224-M312 CarbonylContact C-O 3.5Å; L224-M312 WeakPolarHBondContact CA-O 3.42Å; L224-M312 HydrophobicContact CD1-CB 4.32Å; S225-M312 PolarHBondContact N-O 3.32Å; D254-M312 HydrophobicContact CB-CE 3.96Å; D254-M312 WeakPolarHBondContact OD2-CE 3.46Å; T257-M312 HydrophobicContact CG2-CE 4.29Å; T257-M312 HydrophobicContact CG2-SD 3.73Å; F258-M312 HydrophobicContact CE1-CB 3.72Å; F258-M312 HydrophobicContact CE1-CG 4.15Å; F258-M312 HydrophobicContact CZ-CB 3.9Å; F258-M312 HydrophobicContact CZ-CG 3.84Å; L261-M312 HydrophobicContact CD1-CB 4.12Å; L261-M312 HydrophobicContact CD1-SD 4.26Å; G310-M312 PolarHBondContact O-N 3.35Å; M312-L390 HydrophobicContact CE-CB 4.19Å; M312-L390 HydrophobicContact SD-CB 3.78Å; M312-L390 HydrophobicContact SD-CD1 3.9Å; M312-L390 HydrophobicContact SD-CG 4.49Å |
| 313 | E | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 144.9 | 177.2 | -171 | 161.1 | 110.8 | 0 | 0 | 112.6 | S225 N227 F258 M301 Q302 N305 C311 | S225-E313 VanDerWaalsContact CB-OE2 3.23Å; S225-E313 WeakPolarHBondContact CB-OE2 3.27Å; S225-E313 VanDerWaalsContact O-CA 3.32Å; S225-E313 WeakPolarHBondContact O-CA 3.39Å; S225-E313 PolarHBondContact OG-OE2 2.65Å; N227-E313 HydrophobicContact CB-CG 4.17Å; N227-E313 WeakPolarHBondContact CB-OE1 3.39Å; N227-E313 PolarHBondContact ND2-OE1 2.85Å; F258-E313 WeakPolarHBondContact CE1-O 3.31Å; M301-E313 WeakPolarHBondContact CE-OE1 3.33Å; M301-E313 WeakPolarHBondContact CE-OE2 3.4Å; Q302-E313 VanDerWaalsContact CA-OE1 3.28Å; Q302-E313 WeakPolarHBondContact CA-OE1 3.46Å; Q302-E313 HydrophobicContact CB-CB 4.37Å; Q302-E313 HydrophobicContact CB-CG 4.23Å; Q302-E313 HydrophobicContact CG-CB 3.91Å; Q302-E313 HydrophobicContact CG-CG 4Å; Q302-E313 WeakPolarHBondContact CG-O 3.29Å; Q302-E313 PolarHBondContact N-OE1 3.39Å; N305-E313 HydrophobicContact CB-CB 4.31Å; N305-E313 PolarHBondContact ND2-OE2 3.09Å; C311-E313 PolarHBondContact O-N 3.1Å |
| 314 | I | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 148.3 | 162.9 | 63.4 | 172.2 | 0 | 0 | 0 | 110.8 | S225 N227 S236 F258 A262 L316 F343 | S225-I314 PolarHBondContact O-N 3.49Å; N227-I314 PolarHBondContact N-O 3.27Å; S236-I314 WeakPolarHBondContact O-CB 3.4Å; F258-I314 HydrophobicContact CD1-CG2 4.06Å; A262-I314 HydrophobicContact CB-CD1 4.41Å; I314-L316 HydrophobicContact CD1-CD2 3.74Å; I314-L316 HydrophobicContact CG1-CD2 4.02Å; I314-L316 HydrophobicContact CG1-CG 4.37Å; I314-F343 HydrophobicContact CD1-CD2 3.7Å; I314-F343 HydrophobicContact CD1-CE2 3.34Å; I314-F343 HydrophobicContact CD1-CZ 4.12Å; I314-F343 HydrophobicContact CG1-CD2 4.34Å; I314-F343 HydrophobicContact CG1-CE2 3.56Å; I314-F343 HydrophobicContact CG1-CZ 3.84Å |
| 315 | T | 98.1 | Very high | 95.3 | Very high | 9 Ų | 9 | 23.6 Ų | 23.6 | 6% | 0.055 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 129.2 | 178.2 | -56.3 | 0 | 0 | 0 | 0 | 109.9 | N227 H229 S236 Q302 | N227-T315 WeakPolarHBondContact O-CA 3.25Å; H229-T315 HydrophobicContact CB-CG2 4.43Å; S236-T315 PolarHBondContact N-O 2.92Å; S236-T315 PolarHBondContact O-N 2.9Å; Q302-T315 PolarHBondContact OE1-OG1 2.85Å |
| 316 | L | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 102.9 | -167.7 | -61.8 | 174.1 | 0 | 0 | 0 | 109.5 | F115 N227 L228 H229 A235 Y265 I314 L318 | F115-L316 HydrophobicContact CE1-CD1 4.46Å; N227-L316 PolarHBondContact O-N 3.15Å; L228-L316 HydrophobicContact CD1-CD1 3.95Å; L228-L316 HydrophobicContact CG-CD1 4.39Å; H229-L316 PolarHBondContact N-O 3.04Å; A235-L316 HydrophobicContact CB-CD2 4.01Å; Y265-L316 HydrophobicContact CD1-CD2 3.62Å; Y265-L316 HydrophobicContact CD2-CD1 3.85Å; Y265-L316 HydrophobicContact CD2-CD2 3.88Å; Y265-L316 HydrophobicContact CE1-CD1 4.36Å; Y265-L316 HydrophobicContact CE1-CD2 3.89Å; Y265-L316 HydrophobicContact CE2-CD1 3.5Å; Y265-L316 VanDerWaalsContact CE2-CD1 3.5Å; Y265-L316 HydrophobicContact CE2-CD2 4.15Å; Y265-L316 HydrophobicContact CE2-CG 4.42Å; Y265-L316 HydrophobicContact CG-CD1 4.43Å; Y265-L316 HydrophobicContact CG-CD2 3.61Å; I314-L316 HydrophobicContact CD1-CD2 3.74Å; I314-L316 HydrophobicContact CG1-CD2 4.02Å; I314-L316 HydrophobicContact CG1-CG 4.37Å; L316-L318 HydrophobicContact CB-CD2 4.45Å; L316-L318 PolarHBondContact O-N 2.69Å |
| 317 | E | 96.6 | Very high | 95.1 | Very high | 13 Ų | 13 | 27.7 Ų | 27.7 | 6% | 0.061 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 106.1 | 173.7 | -69.1 | -68.8 | 158.5 | 0 | 0 | 109 | H229 A230 G231 S232 L233 V234 M272 W294 | H229-E317 WeakPolarHBondContact CB-OE1 3.41Å; A230-E317 WeakPolarHBondContact CA-OE2 3.26Å; A230-E317 PolarHBondContact N-OE2 3.45Å; G231-E317 PolarHBondContact N-OE2 3.1Å; S232-E317 PolarHBondContact N-OE2 3.47Å; S232-E317 CarbonylContact O-C 3.43Å; L233-E317 WeakPolarHBondContact CA-O 3.4Å; V234-E317 HydrophobicContact CG1-CB 3.95Å; V234-E317 HydrophobicContact CG1-CG 3.93Å; V234-E317 PolarHBondContact N-O 3.31Å; V234-E317 WeakPolarHBondContact O-CB 3.4Å; V234-E317 PolarHBondContact O-N 2.89Å; M272-E317 VanDerWaalsContact CE-O 3.31Å; M272-E317 WeakPolarHBondContact CE-O 3.33Å; W294-E317 HydrophobicContact CH2-CG 3.87Å; W294-E317 HydrophobicContact CZ3-CG 3.93Å |
| 318 | L | 95.9 | Very high | 95.1 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -11.9 | -166 | -62.5 | 170.1 | 0 | 0 | 0 | 114.5 | I125 L129 L228 H229 L316 Y332 N336 | I125-L318 HydrophobicContact CG2-CB 4.08Å; I125-L318 HydrophobicContact CG2-CD1 3.9Å; L129-L318 HydrophobicContact CD1-CD1 3.79Å; L129-L318 HydrophobicContact CD1-CD2 3.95Å; L129-L318 HydrophobicContact CD1-CG 4.4Å; L228-L318 HydrophobicContact CB-CD1 3.96Å; L228-L318 HydrophobicContact CD2-CD1 4.07Å; L228-L318 HydrophobicContact CG-CD1 4.13Å; L228-L318 HydrophobicContact CG-CD2 4.48Å; H229-L318 WeakPolarHBondContact O-CG 3.29Å; H229-L318 PolarHBondContact O-N 3.44Å; L316-L318 HydrophobicContact CB-CD2 4.45Å; L316-L318 PolarHBondContact O-N 2.69Å; L318-Y332 HydrophobicContact CB-CD1 4.49Å; L318-Y332 WeakPolarHBondContact O-CD1 3.02Å; L318-Y332 VanDerWaalsContact O-CE1 3.23Å; L318-Y332 WeakPolarHBondContact O-CE1 3.46Å; L318-N336 WeakPolarHBondContact CD2-OD1 3.44Å |
| 319 | G | 93.1 | Very high | 95.3 | Very high | 7 Ų | 7 | 24.2 Ų | 24.2 | 7% | 0.072 | 13% | 0.131 | C | C | . | . | trans | 157.5 | 163.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | G231 S232 V321 | G231-G319 PolarHBondContact N-O 2.84Å; S232-G319 CarbonylContact O-C 3.6Å; S232-G319 WeakPolarHBondContact O-CA 3.38Å; S232-G319 PolarHBondContact O-N 2.84Å; G319-V321 VanDerWaalsContact C-N 3.32Å; G319-V321 PolarHBondContact O-N 3.38Å | ||
| 320 | C | 92.1 | Very high | 95.3 | Very high | 36 Ų | 36 | 24.4 Ų | 24.4 | 24% | 0.243 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -63.5 | -23.6 | -168.7 | -71.7 | 0 | 0 | 0 | 0 | 116.9 | C279 | C279-C320 HydrophobicContact CB-CB 3.48Å; C279-C320 VanDerWaalsContact CB-CB 3.48Å; C279-C320 WeakPolarHBondContact CB-SG 3.44Å; C279-C320 PolarHBondContact N-SG 2.71Å; C279-C320 VanDerWaalsContact N-SG 3.37Å; C279-C320 WeakPolarHBondContact SG-CA 3.38Å; C279-C320 WeakPolarHBondContact SG-CB 3.16Å; C279-C320 CovalentContact SG-SG 2.03Å; C279-C320 PolarHBondContact SG-SG 2.9Å |
| 321 | V | 94.2 | Very high | 95.4 | Very high | 38 Ų | 38 | 27.2 Ų | 27.2 | 23% | 0.23 | 15% | 0.149 | C | C | . | . | trans | -98.7 | 118.3 | -176.7 | -174.6 | 0 | 0 | 0 | 0 | 108.4 | T175 G319 P324 | T175-V321 HydrophobicContact CG2-CG1 4.22Å; G319-V321 VanDerWaalsContact C-N 3.32Å; G319-V321 PolarHBondContact O-N 3.38Å; V321-P324 HydrophobicContact CB-CG 4.23Å; V321-P324 HydrophobicContact CG1-CB 4.42Å; V321-P324 HydrophobicContact CG1-CG 4.34Å; V321-P324 WeakPolarHBondContact O-CD 3.37Å; V321-P324 WeakPolarHBondContact O-CG 3.49Å | ||
| 322 | K | 94.4 | Very high | 95.4 | Very high | 28 Ų | 28 | 28.8 Ų | 28.8 | 12% | 0.122 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -60.9 | -49.7 | -178.6 | -69.8 | -177.2 | 176.2 | 168.6 | 0 | 112.6 | N122 E123 A124 T175 S176 G177 P324 | N122-K322 CarbonylContact O-C 3.6Å; N122-K322 VanDerWaalsContact O-C 3.32Å; E123-K322 WeakPolarHBondContact CA-O 3.29Å; E123-K322 HydrophobicContact CG-CB 4.09Å; E123-K322 HydrophobicContact CG-CD 4.37Å; E123-K322 HydrophobicContact CG-CG 4.06Å; A124-K322 PolarHBondContact N-O 3.26Å; A124-K322 VanDerWaalsContact N-O 3.11Å; T175-K322 PolarHBondContact O-N 2.87Å; S176-K322 PolarHBondContact O-NZ 3.34Å; G177-K322 WeakPolarHBondContact O-CD 3.23Å; G177-K322 PolarHBondContact O-NZ 2.88Å; K322-P324 WeakPolarHBondContact O-CD 3.18Å |
| 323 | Y | 96.2 | Very high | 95.3 | Very high | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -119.2 | 85.5 | 174.2 | -152.9 | -35.6 | 0 | 0 | 0 | 109.1 | Y59 A124 F167 S170 S171 E172 G173 D174 | Y59-Y323 AromaticContact CD1-CE1 3.93Å; Y59-Y323 HydrophobicContact CD1-CE1 3.93Å; Y59-Y323 HydrophobicContact CD2-CD1 4.38Å; Y59-Y323 AromaticContact CD2-CE1 3.55Å; Y59-Y323 HydrophobicContact CD2-CE1 3.55Å; Y59-Y323 HydrophobicContact CE1-CD1 4.41Å; Y59-Y323 HydrophobicContact CE1-CE1 4.03Å; Y59-Y323 HydrophobicContact CE2-CD1 4.01Å; Y59-Y323 AromaticContact CE2-CE1 3.64Å; Y59-Y323 HydrophobicContact CE2-CE1 3.64Å; Y59-Y323 AromaticContact CG-CE1 3.7Å; Y59-Y323 HydrophobicContact CG-CE1 3.7Å; Y59-Y323 AromaticContact CZ-CE1 3.88Å; A124-Y323 HydrophobicContact CB-CD1 3.48Å; A124-Y323 VanDerWaalsContact CB-CD1 3.48Å; A124-Y323 HydrophobicContact CB-CD2 3.82Å; A124-Y323 HydrophobicContact CB-CE1 3.6Å; A124-Y323 HydrophobicContact CB-CE2 3.92Å; A124-Y323 HydrophobicContact CB-CG 3.61Å; F167-Y323 HydrophobicContact CE2-CE2 4.32Å; F167-Y323 WeakPolarHBondContact CZ-OH 3.35Å; S170-Y323 VanDerWaalsContact OG-CE2 3.26Å; S170-Y323 WeakPolarHBondContact OG-CE2 3.46Å; S171-Y323 WeakPolarHBondContact O-CD2 3.39Å; E172-Y323 HydrophobicContact CB-CD1 4.15Å; E172-Y323 HydrophobicContact CB-CE1 3.86Å; E172-Y323 HydrophobicContact CG-CD1 4.12Å; E172-Y323 HydrophobicContact CG-CE1 3.96Å; G173-Y323 CarbonylContact C-O 3.58Å; G173-Y323 WeakPolarHBondContact CA-O 3.29Å; G173-Y323 PolarHBondContact N-O 3.36Å; D174-Y323 PolarHBondContact N-O 2.92Å; D174-Y323 PolarHBondContact O-N 2.7Å |
| 324 | P | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -56.8 | 166.6 | 174.7 | -21.8 | 32.2 | 0 | 0 | 0 | 112.7 | Y59 I125 E172 V321 K322 E328 Y332 | Y59-P324 VanDerWaalsContact CE2-O 3.24Å; Y59-P324 WeakPolarHBondContact CE2-O 3.46Å; Y59-P324 WeakPolarHBondContact OH-CB 3.22Å; Y59-P324 WeakPolarHBondContact OH-CD 3.49Å; Y59-P324 PolarHBondContact OH-O 2.84Å; I125-P324 HydrophobicContact CB-CG 4.21Å; E172-P324 WeakPolarHBondContact CG-O 3.4Å; V321-P324 HydrophobicContact CB-CG 4.23Å; V321-P324 HydrophobicContact CG1-CB 4.42Å; V321-P324 HydrophobicContact CG1-CG 4.34Å; V321-P324 WeakPolarHBondContact O-CD 3.37Å; V321-P324 WeakPolarHBondContact O-CG 3.49Å; K322-P324 WeakPolarHBondContact O-CD 3.18Å; P324-E328 HydrophobicContact CB-CB 4.29Å; P324-Y332 HydrophobicContact CB-CD2 4.49Å; P324-Y332 HydrophobicContact CB-CE2 3.86Å; P324-Y332 HydrophobicContact CG-CD2 4.33Å; P324-Y332 HydrophobicContact CG-CE1 4.36Å; P324-Y332 HydrophobicContact CG-CE2 3.6Å | ||
| 325 | R | 96 | Very high | 94.7 | Very high | 151 Ų | 151 | 34.2 Ų | 34.2 | 57% | 0.57 | 18% | 0.183 | S | C | * | . | trans | -75.4 | 149.5 | 169.9 | -68.3 | -178.4 | 178.3 | 138.5 | 3.5 | 110.4 | E172 S327 E328 | E172-R325 VanDerWaalsContact OE1-CA 3.3Å; E172-R325 WeakPolarHBondContact OE1-CA 3.4Å; R325-S327 PolarHBondContact O-N 3.48Å; R325-E328 HydrophobicContact CB-CG 4.4Å; R325-E328 PolarHBondContact N-OE2 2.79Å; R325-E328 WeakPolarHBondContact O-CB 3.42Å; R325-E328 PolarHBondContact O-N 2.87Å | ||
| 326 | G | 93.7 | Very high | 94.5 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -53.8 | -35 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N57 E172 E328 I329 | N57-G326 CarbonylContact C-O 3.42Å; N57-G326 WeakPolarHBondContact CA-O 3.31Å; N57-G326 WeakPolarHBondContact CB-O 3.44Å; N57-G326 CarbonylContact O-C 3.59Å; N57-G326 WeakPolarHBondContact O-CA 3.47Å; E172-G326 VanDerWaalsContact CD-N 3.33Å; E172-G326 PolarHBondContact OE1-N 3.41Å; G326-E328 PolarHBondContact O-N 2.83Å; G326-E328 VanDerWaalsContact O-N 3.14Å; G326-I329 WeakPolarHBondContact O-CD1 3.5Å; G326-I329 WeakPolarHBondContact O-CG1 3.46Å; G326-I329 PolarHBondContact O-N 2.71Å |
| 327 | S | 94.5 | Very high | 94.2 | Very high | 84 Ų | 84 | 34.5 Ų | 34.5 | 59% | 0.587 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | -57.1 | -22.2 | 173.9 | 51 | 0 | 0 | 0 | 0 | 115.4 | R325 | R325-S327 PolarHBondContact O-N 3.48Š|
| 328 | E | 94.6 | Very high | 94 | Very high | 74 Ų | 74 | 35 Ų | 35 | 35% | 0.346 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -96.4 | -13.4 | -173.4 | -59.4 | 172.2 | 131.6 | 0 | 0 | 112.4 | P324 R325 G326 S330 T331 Y332 | P324-E328 HydrophobicContact CB-CB 4.29Å; R325-E328 HydrophobicContact CB-CG 4.4Å; R325-E328 PolarHBondContact N-OE2 2.79Å; R325-E328 WeakPolarHBondContact O-CB 3.42Å; R325-E328 PolarHBondContact O-N 2.87Å; G326-E328 PolarHBondContact O-N 2.83Å; G326-E328 VanDerWaalsContact O-N 3.14Å; E328-S330 VanDerWaalsContact C-N 3.27Å; E328-S330 PolarHBondContact O-N 3.15Å; E328-T331 WeakPolarHBondContact O-CB 2.99Å; E328-T331 PolarHBondContact O-N 3.31Å; E328-Y332 HydrophobicContact CB-CD2 4.41Å; E328-Y332 HydrophobicContact CB-CE2 4.48Å; E328-Y332 PolarHBondContact O-N 3.44Å |
| 329 | I | 95.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.2 | -39.3 | -176.2 | -59.9 | 166.9 | 0 | 0 | 0 | 112 | Y59 I125 E128 R132 G326 T331 Y332 W333 | Y59-I329 HydrophobicContact CD1-CD1 4.25Å; Y59-I329 HydrophobicContact CD2-CD1 3.87Å; Y59-I329 HydrophobicContact CE1-CD1 4.09Å; Y59-I329 HydrophobicContact CE1-CG1 4.24Å; Y59-I329 HydrophobicContact CE2-CD1 3.7Å; Y59-I329 HydrophobicContact CE2-CG1 3.93Å; Y59-I329 HydrophobicContact CG-CD1 4.14Å; I125-I329 HydrophobicContact CD1-CB 4.22Å; I125-I329 HydrophobicContact CD1-CG1 4.03Å; I125-I329 HydrophobicContact CD1-CG2 3.99Å; E128-I329 HydrophobicContact CB-CG2 3.88Å; E128-I329 HydrophobicContact CG-CD1 4.18Å; E128-I329 HydrophobicContact CG-CG2 4.41Å; R132-I329 VanDerWaalsContact CZ-CG2 3.41Å; G326-I329 WeakPolarHBondContact O-CD1 3.5Å; G326-I329 WeakPolarHBondContact O-CG1 3.46Å; G326-I329 PolarHBondContact O-N 2.71Å; I329-T331 VanDerWaalsContact C-N 3.33Å; I329-T331 PolarHBondContact O-N 2.81Å; I329-Y332 PolarHBondContact O-N 2.93Å; I329-W333 WeakPolarHBondContact O-CB 3.06Å; I329-W333 PolarHBondContact O-N 3.26Å |
| 330 | S | 92.5 | Very high | 94 | Very high | 47 Ų | 47 | 34.6 Ų | 34.6 | 33% | 0.329 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.2 | -41.7 | 176.4 | -67.8 | 0 | 0 | 0 | 0 | 112.5 | N57 E328 W333 D334 | N57-S330 VanDerWaalsContact CG-OG 3.27Å; N57-S330 PolarHBondContact ND2-OG 2.83Å; N57-S330 PolarHBondContact OD1-N 3.25Å; N57-S330 PolarHBondContact OD1-OG 3.34Å; E328-S330 VanDerWaalsContact C-N 3.27Å; E328-S330 PolarHBondContact O-N 3.15Å; S330-W333 PolarHBondContact O-N 3.01Å; S330-D334 PolarHBondContact O-N 3.21Å |
| 331 | T | 93.2 | Very high | 94 | Very high | 73 Ų | 73 | 33.1 Ų | 33.1 | 45% | 0.448 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -65.7 | -47.5 | 179.1 | -47.4 | 0 | 0 | 0 | 0 | 111.1 | E328 I329 W333 D334 D335 | E328-T331 WeakPolarHBondContact O-CB 2.99Å; E328-T331 PolarHBondContact O-N 3.31Å; I329-T331 VanDerWaalsContact C-N 3.33Å; I329-T331 PolarHBondContact O-N 2.81Å; T331-W333 PolarHBondContact O-N 3.29Å; T331-D334 PolarHBondContact O-N 2.96Å; T331-D335 WeakPolarHBondContact O-CB 3.49Å; T331-D335 PolarHBondContact O-N 2.8Å |
| 332 | Y | 95.3 | Very high | 94 | Very high | 33 Ų | 33 | 31.3 Ų | 31.3 | 13% | 0.129 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.1 | -35.9 | 176.6 | -87.6 | -96 | 0 | 0 | 0 | 112.3 | I125 L318 P324 E328 I329 N336 | I125-Y332 HydrophobicContact CD1-CD2 4.43Å; I125-Y332 HydrophobicContact CD1-CG 4.04Å; I125-Y332 HydrophobicContact CG1-CD1 3.68Å; I125-Y332 HydrophobicContact CG1-CD2 4.39Å; I125-Y332 HydrophobicContact CG1-CE1 4.27Å; I125-Y332 HydrophobicContact CG1-CG 3.71Å; I125-Y332 HydrophobicContact CG2-CD1 4.28Å; I125-Y332 HydrophobicContact CG2-CE1 4.21Å; L318-Y332 HydrophobicContact CB-CD1 4.49Å; L318-Y332 WeakPolarHBondContact O-CD1 3.02Å; L318-Y332 VanDerWaalsContact O-CE1 3.23Å; L318-Y332 WeakPolarHBondContact O-CE1 3.46Å; P324-Y332 HydrophobicContact CB-CD2 4.49Å; P324-Y332 HydrophobicContact CB-CE2 3.86Å; P324-Y332 HydrophobicContact CG-CD2 4.33Å; P324-Y332 HydrophobicContact CG-CE1 4.36Å; P324-Y332 HydrophobicContact CG-CE2 3.6Å; E328-Y332 HydrophobicContact CB-CD2 4.41Å; E328-Y332 HydrophobicContact CB-CE2 4.48Å; E328-Y332 PolarHBondContact O-N 3.44Å; I329-Y332 PolarHBondContact O-N 2.93Å; Y332-N336 WeakPolarHBondContact O-CB 3.24Å; Y332-N336 PolarHBondContact O-N 2.96Å; Y332-N336 PolarHBondContact O-ND2 3.04Å |
| 333 | W | 94.6 | Very high | 94 | Very high | 13 Ų | 13 | 30.1 Ų | 30.1 | 5% | 0.049 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.9 | -49.1 | 175.6 | 170.1 | -109.6 | 0 | 0 | 0 | 112.8 | E52 L129 R132 L133 L136 I329 S330 T331 D335 N336 K337 L340 | E52-W333 PolarHBondContact OE2-NE1 2.83Å; L129-W333 HydrophobicContact CD2-CB 3.98Å; L129-W333 HydrophobicContact CD2-CE3 4.27Å; R132-W333 HydrophobicContact CB-CD2 3.63Å; R132-W333 HydrophobicContact CB-CE3 3.45Å; R132-W333 VanDerWaalsContact CB-CE3 3.45Å; R132-W333 HydrophobicContact CB-CG 4.39Å; R132-W333 HydrophobicContact CB-CH2 3.81Å; R132-W333 HydrophobicContact CB-CZ2 3.97Å; R132-W333 HydrophobicContact CB-CZ3 3.55Å; R132-W333 HydrophobicContact CG-CD2 4.22Å; R132-W333 HydrophobicContact CG-CE3 4.4Å; R132-W333 HydrophobicContact CG-CG 4.5Å; L133-W333 HydrophobicContact CB-CH2 4.41Å; L133-W333 HydrophobicContact CB-CZ3 4.32Å; L136-W333 HydrophobicContact CB-CH2 4.31Å; L136-W333 HydrophobicContact CB-CZ2 4.31Å; L136-W333 HydrophobicContact CD1-CH2 3.99Å; L136-W333 HydrophobicContact CD1-CZ2 3.73Å; I329-W333 WeakPolarHBondContact O-CB 3.06Å; I329-W333 PolarHBondContact O-N 3.26Å; S330-W333 PolarHBondContact O-N 3.01Å; T331-W333 PolarHBondContact O-N 3.29Å; W333-D335 PolarHBondContact O-N 2.98Å; W333-N336 PolarHBondContact O-N 3.34Å; W333-K337 HydrophobicContact CD2-CB 3.92Å; W333-K337 HydrophobicContact CD2-CD 4.41Å; W333-K337 HydrophobicContact CE3-CB 3.93Å; W333-K337 HydrophobicContact CH2-CB 3.69Å; W333-K337 HydrophobicContact CZ2-CB 3.66Å; W333-K337 HydrophobicContact CZ2-CD 4.17Å; W333-K337 HydrophobicContact CZ3-CB 3.83Å; W333-K337 VanDerWaalsContact O-CB 3.3Å; W333-K337 WeakPolarHBondContact O-CB 3.39Å; W333-K337 WeakPolarHBondContact O-CG 3.41Å; W333-K337 PolarHBondContact O-N 3.48Å; W333-L340 HydrophobicContact CZ3-CD1 4.23Å |
| 334 | D | 91 | Very high | 93.9 | Very high | 79 Ų | 79 | 30.3 Ų | 30.3 | 42% | 0.422 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -56.3 | -36.7 | 175.6 | -83.1 | -25.7 | 0 | 0 | 0 | 112.3 | S330 T331 K337 | S330-D334 PolarHBondContact O-N 3.21Å; T331-D334 PolarHBondContact O-N 2.96Å; D334-K337 WeakPolarHBondContact OD1-CE 3.4Å; D334-K337 IonicContact OD1-NZ 2.81Å; D334-K337 PolarHBondContact OD1-NZ 3.3Å |
| 335 | D | 92.5 | Very high | 93.9 | Very high | 26 Ų | 26 | 30.3 Ų | 30.3 | 14% | 0.139 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -75.8 | -23.7 | -177.3 | -76.9 | 23.2 | 0 | 0 | 0 | 114.1 | H269 R270 T331 W333 | H269-D335 PolarHBondContact ND1-O 3.43Å; R270-D335 HydrophobicContact CB-CB 4.16Å; R270-D335 WeakPolarHBondContact CD-OD1 2.85Å; R270-D335 WeakPolarHBondContact CD-OD2 3.41Å; R270-D335 IonicContact CZ-OD1 2.87Å; R270-D335 PolarHBondContact N-O 3.02Å; R270-D335 IonicContact NE-OD1 2.7Å; R270-D335 IonicContact NH1-OD1 3.2Å; R270-D335 PolarHBondContact NH1-OD1 2.72Å; T331-D335 WeakPolarHBondContact O-CB 3.49Å; T331-D335 PolarHBondContact O-N 2.8Å; W333-D335 PolarHBondContact O-N 2.98Å |
| 336 | N | 94 | Very high | 93.8 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -117.4 | -20 | -171.3 | -76.8 | -88.8 | 0 | 0 | 0 | 115.6 | L129 Y265 H269 L318 Y332 W333 Y338 S339 L340 | L129-N336 HydrophobicContact CD1-CB 3.88Å; Y265-N336 PolarHBondContact OH-OD1 2.9Å; H269-N336 PolarHBondContact CD2-OD1 3.11Å; H269-N336 PolarHBondContact NE2-ND2 3.1Å; H269-N336 PolarHBondContact NE2-OD1 3.23Å; L318-N336 WeakPolarHBondContact CD2-OD1 3.44Å; Y332-N336 WeakPolarHBondContact O-CB 3.24Å; Y332-N336 PolarHBondContact O-N 2.96Å; Y332-N336 PolarHBondContact O-ND2 3.04Å; W333-N336 PolarHBondContact O-N 3.34Å; N336-Y338 VanDerWaalsContact C-N 3.29Å; N336-Y338 PolarHBondContact O-N 3.03Å; N336-S339 WeakPolarHBondContact O-CB 3.49Å; N336-S339 PolarHBondContact O-N 3.42Å; N336-L340 PolarHBondContact O-N 3.3Å; N336-L340 VanDerWaalsContact O-N 3.11Å |
| 337 | K | 92.2 | Very high | 93.9 | Very high | 13 Ų | 13 | 23.8 Ų | 23.8 | 6% | 0.057 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.5 | -39 | -170.6 | 62.3 | -166.6 | -179.5 | -173.6 | 0 | 113.9 | E52 W333 D334 I341 | E52-K337 WeakPolarHBondContact OE1-CE 3.46Å; E52-K337 IonicContact OE1-NZ 2.57Å; E52-K337 PolarHBondContact OE1-NZ 3.47Å; E52-K337 IonicContact OE2-NZ 3.94Å; W333-K337 HydrophobicContact CD2-CB 3.92Å; W333-K337 HydrophobicContact CD2-CD 4.41Å; W333-K337 HydrophobicContact CE3-CB 3.93Å; W333-K337 HydrophobicContact CH2-CB 3.69Å; W333-K337 HydrophobicContact CZ2-CB 3.66Å; W333-K337 HydrophobicContact CZ2-CD 4.17Å; W333-K337 HydrophobicContact CZ3-CB 3.83Å; W333-K337 VanDerWaalsContact O-CB 3.3Å; W333-K337 WeakPolarHBondContact O-CB 3.39Å; W333-K337 WeakPolarHBondContact O-CG 3.41Å; W333-K337 PolarHBondContact O-N 3.48Å; D334-K337 WeakPolarHBondContact OD1-CE 3.4Å; D334-K337 IonicContact OD1-NZ 2.81Å; D334-K337 PolarHBondContact OD1-NZ 3.3Å; K337-I341 WeakPolarHBondContact O-CG1 3.35Å; K337-I341 PolarHBondContact O-N 3Å |
| 338 | Y | 91.6 | Very high | 93.9 | Very high | 24 Ų | 24 | 19.9 Ų | 19.9 | 9% | 0.094 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -74.8 | -32.7 | 178.3 | -55.5 | -57.6 | 0 | 0 | 0 | 112.7 | F39 H45 W48 N336 I341 A342 | F39-Y338 AromaticContact CD1-CD1 3.48Å; F39-Y338 HydrophobicContact CD1-CD1 3.48Å; F39-Y338 VanDerWaalsContact CD1-CD1 3.48Å; F39-Y338 HydrophobicContact CD1-CE1 4.06Å; F39-Y338 HydrophobicContact CD1-CG 4.34Å; F39-Y338 AromaticContact CE1-CD1 3.88Å; F39-Y338 HydrophobicContact CE1-CD1 3.88Å; F39-Y338 HydrophobicContact CE1-CE1 4.14Å; H45-Y338 HydrophobicContact CB-CD2 4.16Å; H45-Y338 HydrophobicContact CB-CE2 3.8Å; H45-Y338 AromaticContact CD2-CD2 3.71Å; H45-Y338 AromaticContact CD2-CG 3.97Å; H45-Y338 AromaticContact CE1-CD2 3.43Å; H45-Y338 VanDerWaalsContact CE1-CD2 3.43Å; H45-Y338 WeakPolarHBondContact CE1-CD2 3.24Å; H45-Y338 AromaticContact CE1-CG 3.98Å; H45-Y338 AromaticContact CG-CD2 3.51Å; H45-Y338 AromaticContact CG-CE2 3.68Å; H45-Y338 AromaticContact ND1-CD2 3.36Å; H45-Y338 WeakPolarHBondContact ND1-CD2 3.47Å; H45-Y338 AromaticContact ND1-CE2 3.79Å; H45-Y338 AromaticContact NE2-CD2 3.66Å; H45-Y338 AromaticContact NE2-CG 3.8Å; W48-Y338 HydrophobicContact CB-CE1 3.89Å; W48-Y338 HydrophobicContact CG-CE1 4.42Å; N336-Y338 VanDerWaalsContact C-N 3.29Å; N336-Y338 PolarHBondContact O-N 3.03Å; Y338-I341 PolarHBondContact O-N 2.89Å; Y338-A342 VanDerWaalsContact O-CB 3.28Å; Y338-A342 WeakPolarHBondContact O-CB 3.43Å; Y338-A342 PolarHBondContact O-N 2.86Å |
| 339 | S | 93.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.5 | -43 | 173.2 | -58 | 0 | 0 | 0 | 0 | 113.1 | Y265 A268 H269 N336 I341 A342 F343 | Y265-S339 WeakPolarHBondContact CD2-O 3.27Å; Y265-S339 VanDerWaalsContact CE2-CB 3.47Å; Y265-S339 WeakPolarHBondContact O-CB 3.39Å; Y265-S339 PolarHBondContact O-OG 2.99Å; A268-S339 PolarHBondContact O-OG 2.79Å; H269-S339 WeakPolarHBondContact CA-OG 3.4Å; H269-S339 WeakPolarHBondContact CB-OG 3.28Å; H269-S339 PolarHBondContact N-OG 3.08Å; N336-S339 WeakPolarHBondContact O-CB 3.49Å; N336-S339 PolarHBondContact O-N 3.42Å; S339-I341 VanDerWaalsContact C-N 3.31Å; S339-I341 PolarHBondContact O-N 3.21Å; S339-A342 PolarHBondContact O-N 2.96Å; S339-F343 WeakPolarHBondContact O-CB 3.47Å; S339-F343 PolarHBondContact O-N 3.11Å |
| 340 | L | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.9 | -42.5 | 176.4 | -69.3 | 164 | 0 | 0 | 0 | 111.3 | F115 L129 L133 L228 Y265 W333 N336 L344 | F115-L340 HydrophobicContact CD1-CD2 4.21Å; F115-L340 HydrophobicContact CE1-CD2 3.67Å; F115-L340 HydrophobicContact CE2-CB 4.49Å; F115-L340 HydrophobicContact CE2-CD2 4.16Å; F115-L340 HydrophobicContact CZ-CB 4.26Å; F115-L340 HydrophobicContact CZ-CD2 3.63Å; L129-L340 HydrophobicContact CB-CD1 4.36Å; L133-L340 HydrophobicContact CD2-CB 4.3Å; L228-L340 HydrophobicContact CD2-CD2 4.28Å; Y265-L340 HydrophobicContact CE2-CD2 3.92Å; Y265-L340 HydrophobicContact CE2-CG 4.11Å; W333-L340 HydrophobicContact CZ3-CD1 4.23Å; N336-L340 PolarHBondContact O-N 3.3Å; N336-L340 VanDerWaalsContact O-N 3.11Å; L340-L344 VanDerWaalsContact O-CB 3.25Å; L340-L344 WeakPolarHBondContact O-CB 3.41Å; L340-L344 PolarHBondContact O-N 3.4Å; L340-L344 VanDerWaalsContact O-N 3.11Å |
| 341 | I | 93 | Very high | 93.8 | Very high | 5 Ų | 5 | 15.2 Ų | 15.2 | 3% | 0.026 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -69.8 | -47.1 | 179 | -70.6 | 169.6 | 0 | 0 | 0 | 112 | V36 F39 L50 L133 L136 F146 K337 Y338 S339 L344 S345 | V36-I341 HydrophobicContact CG2-CG2 4.23Å; F39-I341 HydrophobicContact CD2-CG2 3.96Å; F39-I341 HydrophobicContact CE1-CD1 4.46Å; F39-I341 HydrophobicContact CE1-CG2 4.4Å; F39-I341 HydrophobicContact CE2-CG2 3.84Å; F39-I341 HydrophobicContact CG-CG2 4.3Å; F39-I341 HydrophobicContact CZ-CG2 4.05Å; L50-I341 HydrophobicContact CD1-CD1 4.01Å; L133-I341 HydrophobicContact CD1-CG1 4.31Å; L136-I341 HydrophobicContact CD1-CD1 4.14Å; L136-I341 HydrophobicContact CD2-CD1 3.9Å; F146-I341 HydrophobicContact CE1-CG2 3.37Å; F146-I341 HydrophobicContact CZ-CG2 3.54Å; K337-I341 WeakPolarHBondContact O-CG1 3.35Å; K337-I341 PolarHBondContact O-N 3Å; Y338-I341 PolarHBondContact O-N 2.89Å; S339-I341 VanDerWaalsContact C-N 3.31Å; S339-I341 PolarHBondContact O-N 3.21Å; I341-L344 PolarHBondContact O-N 3.02Å; I341-S345 PolarHBondContact O-N 3.36Å; I341-S345 PolarHBondContact O-OG 3.46Å |
| 342 | A | 92.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.008 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -61.7 | -48.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | T40 V264 A268 Y338 S339 S345 | T40-A342 HydrophobicContact CG2-CB 4.15Å; V264-A342 HydrophobicContact CG1-CB 3.84Å; A268-A342 HydrophobicContact CB-CB 4.06Å; Y338-A342 VanDerWaalsContact O-CB 3.28Å; Y338-A342 WeakPolarHBondContact O-CB 3.43Å; Y338-A342 PolarHBondContact O-N 2.86Å; S339-A342 PolarHBondContact O-N 2.96Å; A342-S345 PolarHBondContact O-N 2.97Å |
| 343 | F | 95.8 | Very high | 93.6 | Very high | 3 Ų | 3 | 11.3 Ų | 11.3 | 1% | 0.013 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -59.6 | -47.9 | 176.6 | 174 | -95.4 | 0 | 0 | 0 | 112.1 | F115 L224 S225 L261 Y265 I314 S339 S345 E346 | F115-F343 AromaticContact CE1-CD1 3.84Å; F115-F343 HydrophobicContact CE1-CD1 3.84Å; F115-F343 HydrophobicContact CE1-CE1 4.07Å; F115-F343 AromaticContact CZ-CD1 3.74Å; F115-F343 HydrophobicContact CZ-CD1 3.74Å; F115-F343 HydrophobicContact CZ-CE1 4.32Å; L224-F343 HydrophobicContact CD1-CE1 4.3Å; L224-F343 HydrophobicContact CD1-CE2 3.98Å; L224-F343 HydrophobicContact CD1-CZ 3.6Å; L224-F343 HydrophobicContact CD2-CD1 4.29Å; L224-F343 HydrophobicContact CD2-CE1 3.91Å; L224-F343 HydrophobicContact CD2-CE2 4.44Å; L224-F343 HydrophobicContact CD2-CZ 3.99Å; L224-F343 VanDerWaalsContact CD2-O 3.29Å; L224-F343 WeakPolarHBondContact CD2-O 3.47Å; L224-F343 HydrophobicContact CG-CE1 3.8Å; L224-F343 HydrophobicContact CG-CE2 4.34Å; L224-F343 HydrophobicContact CG-CZ 3.62Å; S225-F343 VanDerWaalsContact O-CZ 3.24Å; S225-F343 WeakPolarHBondContact O-CZ 3.42Å; L261-F343 HydrophobicContact CB-CE2 4.11Å; L261-F343 HydrophobicContact CD2-CE2 4.32Å; Y265-F343 HydrophobicContact CD2-CB 3.93Å; Y265-F343 HydrophobicContact CD2-CG 4.37Å; I314-F343 HydrophobicContact CD1-CD2 3.7Å; I314-F343 HydrophobicContact CD1-CE2 3.34Å; I314-F343 HydrophobicContact CD1-CZ 4.12Å; I314-F343 HydrophobicContact CG1-CD2 4.34Å; I314-F343 HydrophobicContact CG1-CE2 3.56Å; I314-F343 HydrophobicContact CG1-CZ 3.84Å; S339-F343 WeakPolarHBondContact O-CB 3.47Å; S339-F343 PolarHBondContact O-N 3.11Å; F343-S345 PolarHBondContact O-N 3.1Å; F343-E346 VanDerWaalsContact O-CB 3.3Å; F343-E346 WeakPolarHBondContact O-CB 3.13Å; F343-E346 PolarHBondContact O-N 3.21Å; F343-E346 VanDerWaalsContact O-N 3.17Å |
| 344 | L | 94.5 | Very high | 93.7 | Very high | 8 Ų | 8 | 12.8 Ų | 12.8 | 4% | 0.042 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -61.5 | -29.5 | -177.1 | -174.3 | 142.8 | 0 | 0 | 0 | 113.1 | V113 F115 L150 I156 L340 I341 E346 V347 | V113-L344 HydrophobicContact CG2-CD1 3.89Å; V113-L344 HydrophobicContact CG2-CD2 4.45Å; V113-L344 HydrophobicContact CG2-CG 3.93Å; F115-L344 HydrophobicContact CD2-CD1 4.15Å; F115-L344 HydrophobicContact CE2-CB 4.17Å; F115-L344 HydrophobicContact CE2-CD1 3.67Å; F115-L344 HydrophobicContact CZ-CB 4.44Å; L150-L344 HydrophobicContact CD1-CD2 3.94Å; L150-L344 HydrophobicContact CD2-CD2 3.58Å; L150-L344 HydrophobicContact CG-CD2 3.76Å; I156-L344 HydrophobicContact CB-CD1 4.4Å; I156-L344 HydrophobicContact CD1-CD1 4.04Å; I156-L344 HydrophobicContact CD1-CD2 3.62Å; I156-L344 HydrophobicContact CD1-CG 4.47Å; I156-L344 HydrophobicContact CG1-CD1 4Å; I156-L344 HydrophobicContact CG1-CD2 3.98Å; I156-L344 HydrophobicContact CG1-CG 4.49Å; I156-L344 HydrophobicContact CG2-CD1 3.6Å; L340-L344 VanDerWaalsContact O-CB 3.25Å; L340-L344 WeakPolarHBondContact O-CB 3.41Å; L340-L344 PolarHBondContact O-N 3.4Å; L340-L344 VanDerWaalsContact O-N 3.11Å; I341-L344 PolarHBondContact O-N 3.02Å; L344-E346 VanDerWaalsContact C-N 3.33Å; L344-E346 PolarHBondContact O-N 2.86Å; L344-V347 WeakPolarHBondContact O-CG1 3.41Å |
| 345 | S | 94.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -75.9 | -18.7 | -178.4 | -56.5 | 0 | 0 | 0 | 0 | 114 | V36 F146 I341 A342 F343 V347 H348 | V36-S345 WeakPolarHBondContact CG2-OG 3.27Å; F146-S345 WeakPolarHBondContact CZ-OG 3.28Å; I341-S345 PolarHBondContact O-N 3.36Å; I341-S345 PolarHBondContact O-OG 3.46Å; A342-S345 PolarHBondContact O-N 2.97Å; F343-S345 PolarHBondContact O-N 3.1Å; S345-V347 PolarHBondContact O-N 2.72Å; S345-V347 VanDerWaalsContact O-N 3.12Å; S345-H348 PolarHBondContact O-N 3.39Å; S345-H348 VanDerWaalsContact O-N 3.11Å |
| 346 | E | 94.9 | Very high | 93.9 | Very high | 14 Ų | 14 | 10.5 Ų | 10.5 | 7% | 0.065 | 5% | 0.047 | C | C | . | . | G | 310 helix | trans | -57.1 | -28.1 | -179.1 | -79.5 | -76.5 | 107.7 | 0 | 0 | 113.6 | L224 H260 L261 V264 F343 L344 H348 R349 L390 | L224-E346 HydrophobicContact CD2-CB 4.24Å; H260-E346 IonicContact CD2-OE2 2.87Å; H260-E346 PolarHBondContact CD2-OE2 3.11Å; H260-E346 IonicContact NE2-OE1 2.71Å; H260-E346 IonicContact NE2-OE2 2.67Å; H260-E346 PolarHBondContact NE2-OE2 2.8Å; H260-E346 VanDerWaalsContact NE2-OE2 3.15Å; L261-E346 HydrophobicContact CD2-CB 3.64Å; L261-E346 HydrophobicContact CD2-CG 3.81Å; V264-E346 HydrophobicContact CG1-CG 4.25Å; V264-E346 HydrophobicContact CG2-CG 4.34Å; F343-E346 VanDerWaalsContact O-CB 3.3Å; F343-E346 WeakPolarHBondContact O-CB 3.13Å; F343-E346 PolarHBondContact O-N 3.21Å; F343-E346 VanDerWaalsContact O-N 3.17Å; L344-E346 VanDerWaalsContact C-N 3.33Å; L344-E346 PolarHBondContact O-N 2.86Å; E346-H348 PolarHBondContact O-N 2.89Å; E346-R349 PolarHBondContact O-N 2.71Å; E346-R349 IonicContact OE1-CZ 2.73Å; E346-R349 IonicContact OE1-NH1 2.68Å; E346-R349 PolarHBondContact OE1-NH1 2.99Å; E346-R349 IonicContact OE2-CZ 3.87Å; E346-R349 IonicContact OE2-NH1 3.88Å; E346-R349 PolarHBondContact OE2-NH1 3.19Å; E346-R349 IonicContact OE2-NH2 2.75Å; E346-R349 PolarHBondContact OE2-NH2 3.44Å; E346-L390 WeakPolarHBondContact O-CD2 3.31Å |
| 347 | V | 95.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.006 | 5% | 0.049 | C | C | . | . | G | 310 helix | trans | -55 | -27.6 | 177.7 | 76.2 | 0 | 0 | 0 | 0 | 112.8 | P111 V113 T154 V223 L224 L344 S345 R349 A350 | P111-V347 HydrophobicContact CB-CG2 3.6Å; P111-V347 HydrophobicContact CG-CG1 4.16Å; P111-V347 HydrophobicContact CG-CG2 3.91Å; V113-V347 HydrophobicContact CG1-CB 3.82Å; V113-V347 HydrophobicContact CG1-CG1 3.89Å; V113-V347 HydrophobicContact CG1-CG2 3.72Å; T154-V347 HydrophobicContact CG2-CG1 3.84Å; V223-V347 HydrophobicContact CB-CG2 3.82Å; V223-V347 HydrophobicContact CG1-CG2 3.88Å; V223-V347 HydrophobicContact CG2-CG2 4.44Å; L224-V347 HydrophobicContact CD2-CB 4.38Å; L344-V347 WeakPolarHBondContact O-CG1 3.41Å; S345-V347 PolarHBondContact O-N 2.72Å; S345-V347 VanDerWaalsContact O-N 3.12Å; V347-R349 VanDerWaalsContact C-N 3.28Å; V347-R349 PolarHBondContact O-N 3.42Å; V347-A350 WeakPolarHBondContact O-CB 3.22Å; V347-A350 PolarHBondContact O-N 3.3Å |
| 348 | H | 94.8 | Very high | 92.8 | Very high | 3 Ų | 3 | 10.5 Ų | 10.5 | 1% | 0.014 | 5% | 0.048 | C | C | . | . | G | 310 helix | trans | -73.9 | -9.7 | 178.6 | -78.9 | -79.7 | 0 | 0 | 0 | 114.7 | S29 I32 L33 Y153 T154 S345 E346 A350 | S29-H348 VanDerWaalsContact CB-O 3.32Å; S29-H348 WeakPolarHBondContact CB-O 3.35Å; S29-H348 PolarHBondContact OG-ND1 2.97Å; I32-H348 HydrophobicContact CG2-CB 4.48Å; L33-H348 HydrophobicContact CD2-CB 4.31Å; L33-H348 HydrophobicContact CG-CB 4.2Å; Y153-H348 PolarHBondContact O-CE1 3.22Å; Y153-H348 VanDerWaalsContact O-CE1 3.28Å; T154-H348 PolarHBondContact OG1-NE2 2.99Å; S345-H348 PolarHBondContact O-N 3.39Å; S345-H348 VanDerWaalsContact O-N 3.11Å; E346-H348 PolarHBondContact O-N 2.89Å; H348-A350 VanDerWaalsContact C-N 3.34Å |
| 349 | R | 92.4 | Very high | 91.9 | Very high | 18 Ų | 18 | 12.7 Ų | 12.7 | 7% | 0.068 | 7% | 0.067 | C | C | . | . | G | 310 helix | trans | -86.3 | -1.4 | 171.7 | -158.9 | 179.1 | 56.4 | -107.3 | -14.4 | 113.2 | L33 H260 E346 V347 L391 L420 | L33-R349 HydrophobicContact CD1-CB 3.96Å; L33-R349 HydrophobicContact CD1-CG 4.3Å; H260-R349 PolarHBondContact CD2-NH2 2.81Å; H260-R349 VanDerWaalsContact CD2-NH2 3.31Å; H260-R349 PolarHBondContact NE2-NH1 3.19Å; E346-R349 PolarHBondContact O-N 2.71Å; E346-R349 IonicContact OE1-CZ 2.73Å; E346-R349 IonicContact OE1-NH1 2.68Å; E346-R349 PolarHBondContact OE1-NH1 2.99Å; E346-R349 IonicContact OE2-CZ 3.87Å; E346-R349 IonicContact OE2-NH1 3.88Å; E346-R349 PolarHBondContact OE2-NH1 3.19Å; E346-R349 IonicContact OE2-NH2 2.75Å; E346-R349 PolarHBondContact OE2-NH2 3.44Å; V347-R349 VanDerWaalsContact C-N 3.28Å; V347-R349 PolarHBondContact O-N 3.42Å; R349-L391 PolarHBondContact NE-O 2.92Å; R349-L420 HydrophobicContact CG-CB 4.02Å; R349-L420 WeakPolarHBondContact O-CB 3.18Å |
| 350 | A | 93.3 | Very high | 91.2 | Very high | 3 Ų | 3 | 16.3 Ų | 16.3 | 3% | 0.025 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -64.7 | 138.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V347 H348 R352 W388 R389 L390 | V347-A350 WeakPolarHBondContact O-CB 3.22Å; V347-A350 PolarHBondContact O-N 3.3Å; H348-A350 VanDerWaalsContact C-N 3.34Å; A350-R352 PolarHBondContact O-N 3.09Å; A350-W388 HydrophobicContact CB-CB 3.83Å; A350-R389 WeakPolarHBondContact CA-O 3.24Å; A350-L390 HydrophobicContact CB-CD2 3.96Å; A350-L390 HydrophobicContact CB-CG 4.12Å |
| 351 | L | 93.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 128.6 | 164.6 | 172.1 | 65.6 | 0 | 0 | 0 | 108.7 | Y387 W388 R389 V400 V415 L420 V423 L431 | L351-Y387 HydrophobicContact CG-CE2 4.24Å; L351-Y387 WeakPolarHBondContact O-CE2 3.38Å; L351-W388 CarbonylContact O-C 3.39Å; L351-W388 WeakPolarHBondContact O-CA 3.32Å; L351-R389 PolarHBondContact N-O 2.87Å; L351-R389 PolarHBondContact O-N 3.05Å; L351-V400 HydrophobicContact CD2-CB 4.38Å; L351-V400 HydrophobicContact CD2-CG1 4.01Å; L351-V400 HydrophobicContact CD2-CG2 4.08Å; L351-V415 HydrophobicContact CD1-CG1 4.32Å; L351-V415 HydrophobicContact CD2-CG1 4.45Å; L351-V415 HydrophobicContact CD2-CG2 4.43Å; L351-L420 HydrophobicContact CB-CD1 4.13Å; L351-L420 HydrophobicContact CB-CD2 4.04Å; L351-L420 HydrophobicContact CD1-CD2 4.08Å; L351-V423 HydrophobicContact CD1-CG2 3.68Å; L351-L431 HydrophobicContact CD1-CB 4.08Å; L351-L431 HydrophobicContact CD1-CD2 4.25Å; L351-L431 HydrophobicContact CD2-CD2 4.49Å |
| 352 | R | 92.6 | Very high | 90.2 | Very high | 20 Ų | 20 | 28.1 Ų | 28.1 | 8% | 0.075 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 159.2 | -172.9 | 63.9 | 177.9 | -177.2 | 148.1 | -6.3 | 113.8 | Y24 G109 A350 Y387 E429 Q430 L431 | Y24-R352 VanDerWaalsContact CE1-NH1 3.3Å; G109-R352 PolarHBondContact O-NH1 3.01Å; A350-R352 PolarHBondContact O-N 3.09Å; R352-Y387 VanDerWaalsContact CA-O 3.26Å; R352-Y387 WeakPolarHBondContact CA-O 3.23Å; R352-Y387 WeakPolarHBondContact CB-O 3.44Å; R352-E429 VanDerWaalsContact CG-O 3.28Å; R352-E429 WeakPolarHBondContact CG-O 3.46Å; R352-E429 IonicContact CZ-OE2 2.73Å; R352-E429 PolarHBondContact NE-O 3.02Å; R352-E429 IonicContact NH2-OE2 3.62Å; R352-E429 PolarHBondContact NH2-OE2 2.98Å; R352-Q430 CarbonylContact O-C 3.53Å; R352-Q430 WeakPolarHBondContact O-CA 3.44Å; R352-L431 PolarHBondContact O-N 2.87Å |
| 353 | G | 93.3 | Very high | 90.1 | Very high | 3 Ų | 3 | 31 Ų | 31 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.5 | -163.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D386 Y387 L431 | G353-D386 CarbonylContact O-C 3.57Å; G353-D386 WeakPolarHBondContact O-CA 3.3Å; G353-Y387 WeakPolarHBondContact O-CD1 3.38Å; G353-Y387 VanDerWaalsContact O-CE1 3.31Å; G353-Y387 WeakPolarHBondContact O-CE1 3.43Å; G353-Y387 PolarHBondContact O-N 2.03Å; G353-Y387 VanDerWaalsContact O-N 3.08Å; G353-L431 WeakPolarHBondContact CA-O 3.32Å |
| 354 | F | 95.4 | Very high | 89.9 | Confident | 44 Ų | 44 | 31.3 Ų | 31.3 | 19% | 0.193 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 154.3 | -173.5 | -65.5 | -106.2 | 0 | 0 | 0 | 112.2 | P108 F356 G385 D386 N432 F433 | P108-F354 HydrophobicContact CB-CE1 4.32Å; P108-F354 HydrophobicContact CB-CZ 4.36Å; F354-F356 HydrophobicContact CB-CD2 4.4Å; F354-F356 HydrophobicContact CB-CE2 3.55Å; F354-F356 HydrophobicContact CB-CZ 3.68Å; F354-F356 HydrophobicContact CG-CZ 4.31Å; F354-G385 CarbonylContact C-O 3.58Å; F354-G385 WeakPolarHBondContact CA-O 3.4Å; F354-D386 HydrophobicContact CD1-CB 3.78Å; F354-D386 HydrophobicContact CD2-CB 4.49Å; F354-D386 HydrophobicContact CE1-CB 3.68Å; F354-D386 HydrophobicContact CE2-CB 4.41Å; F354-D386 HydrophobicContact CG-CB 4.19Å; F354-D386 HydrophobicContact CZ-CB 4.01Å; F354-N432 PolarHBondContact N-OD1 3.43Å; F354-N432 CarbonylContact O-C 3.58Å; F354-N432 WeakPolarHBondContact O-CA 3.18Å; F354-F433 PolarHBondContact O-N 3.33Å |
| 355 | V | 95.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 132 | 176.1 | -170.3 | 0 | 0 | 0 | 0 | 110.6 | P363 I364 A367 I369 G385 A402 F433 L435 | V355-P363 CarbonylContact O-C 3.53Å; V355-P363 WeakPolarHBondContact O-CA 3.39Å; V355-I364 HydrophobicContact CB-CB 4.4Å; V355-I364 HydrophobicContact CG1-CB 4.07Å; V355-I364 HydrophobicContact CG1-CD1 4.44Å; V355-I364 PolarHBondContact O-N 2.85Å; V355-A367 HydrophobicContact CB-CB 4.26Å; V355-A367 HydrophobicContact CG1-CB 4Å; V355-A367 HydrophobicContact CG2-CB 4.12Å; V355-I369 HydrophobicContact CG2-CD1 4.03Å; V355-G385 PolarHBondContact N-O 2.76Å; V355-A402 HydrophobicContact CG1-CB 4.3Å; V355-A402 HydrophobicContact CG2-CB 4.18Å; V355-F433 HydrophobicContact CG1-CB 4.23Å; V355-F433 HydrophobicContact CG2-CB 4.33Å; V355-F433 HydrophobicContact CG2-CD2 4.31Å; V355-L435 HydrophobicContact CG1-CD1 3.74Å; V355-L435 HydrophobicContact CG1-CG 3.9Å |
| 356 | F | 91.7 | Very high | 89.6 | Confident | 58 Ų | 58 | 38 Ų | 38 | 25% | 0.254 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 157.1 | -176.4 | -60.8 | -80.3 | 0 | 0 | 0 | 114.2 | F354 L362 P363 I364 N432 F433 T434 L435 | F354-F356 HydrophobicContact CB-CD2 4.4Å; F354-F356 HydrophobicContact CB-CE2 3.55Å; F354-F356 HydrophobicContact CB-CZ 3.68Å; F354-F356 HydrophobicContact CG-CZ 4.31Å; F356-L362 CarbonylContact C-O 3.26Å; F356-L362 WeakPolarHBondContact CA-O 3.11Å; F356-P363 HydrophobicContact CD1-CB 4.36Å; F356-P363 HydrophobicContact CE1-CB 4.36Å; F356-I364 WeakPolarHBondContact O-CD1 3.36Å; F356-N432 HydrophobicContact CE2-CB 4.34Å; F356-F433 PolarHBondContact N-O 3.41Å; F356-T434 CarbonylContact O-C 3.56Å; F356-T434 VanDerWaalsContact O-CA 3.29Å; F356-T434 WeakPolarHBondContact O-CA 3.47Å; F356-L435 PolarHBondContact O-N 2.83Å |
| 357 | D | 86.5 | Confident | 89.6 | Confident | 10 Ų | 10 | 37.4 Ų | 37.4 | 5% | 0.053 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 125.7 | 172 | 178.6 | -24.9 | 0 | 0 | 0 | 111.2 | S359 T360 K361 L362 I364 Y407 | D357-S359 VanDerWaalsContact C-N 3.28Å; D357-S359 PolarHBondContact O-N 3.44Å; D357-S359 WeakPolarHBondContact OD1-CA 3.45Å; D357-S359 WeakPolarHBondContact OD1-CB 3.34Å; D357-S359 PolarHBondContact OD1-N 3.26Å; D357-S359 PolarHBondContact OD1-OG 2.82Å; D357-T360 VanDerWaalsContact CB-OG1 3.29Å; D357-T360 WeakPolarHBondContact CB-OG1 3.32Å; D357-T360 PolarHBondContact OD1-N 3.1Å; D357-T360 WeakPolarHBondContact OD2-CG2 3.49Å; D357-T360 PolarHBondContact OD2-OG1 3.37Å; D357-K361 WeakPolarHBondContact O-CA 3.36Å; D357-K361 PolarHBondContact O-N 2.82Å; D357-L362 PolarHBondContact N-O 3.49Å; D357-I364 HydrophobicContact CB-CD1 4.1Å; D357-I364 HydrophobicContact CB-CG1 4.23Å; D357-Y407 HydrophobicContact CB-CE1 4.31Å; D357-Y407 PolarHBondContact OD2-OH 2.92Å |
| 358 | G | 76.8 | Confident | 89.6 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -27.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K361 T434 L435 W436 | G358-K361 WeakPolarHBondContact O-CE 3.43Å; G358-K361 PolarHBondContact O-NZ 3.29Å; G358-T434 VanDerWaalsContact CA-CG2 3.46Å; G358-L435 PolarHBondContact N-O 3.27Å; G358-W436 WeakPolarHBondContact O-CH2 3.4Å; G358-W436 WeakPolarHBondContact O-CZ3 3.09Å |
| 359 | S | 73.5 | Confident | 89.6 | Confident | 71 Ų | 71 | 38.4 Ų | 38.4 | 50% | 0.497 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -41.8 | -178.5 | 70.8 | 0 | 0 | 0 | 0 | 113.5 | D357 | D357-S359 VanDerWaalsContact C-N 3.28Å; D357-S359 PolarHBondContact O-N 3.44Å; D357-S359 WeakPolarHBondContact OD1-CA 3.45Å; D357-S359 WeakPolarHBondContact OD1-CB 3.34Å; D357-S359 PolarHBondContact OD1-N 3.26Å; D357-S359 PolarHBondContact OD1-OG 2.82Å |
| 360 | T | 78.7 | Confident | 89.7 | Confident | 75 Ų | 75 | 41 Ų | 41 | 46% | 0.46 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -15.9 | -176.5 | 67.2 | 0 | 0 | 0 | 0 | 114.5 | D357 L362 | D357-T360 VanDerWaalsContact CB-OG1 3.29Å; D357-T360 WeakPolarHBondContact CB-OG1 3.32Å; D357-T360 PolarHBondContact OD1-N 3.1Å; D357-T360 WeakPolarHBondContact OD2-CG2 3.49Å; D357-T360 PolarHBondContact OD2-OG1 3.37Å; T360-L362 PolarHBondContact O-N 2.88Å; T360-L362 PolarHBondContact OG1-N 3.07Å |
| 361 | K | 80 | Confident | 89.7 | Confident | 140 Ų | 140 | 41.1 Ų | 41.1 | 61% | 0.609 | 21% | 0.214 | S | C | * | . | trans | 61.9 | 13.5 | -173.4 | -48.4 | -51.1 | -171.7 | -168.2 | 0 | 115.3 | D357 G358 | D357-K361 WeakPolarHBondContact O-CA 3.36Å; D357-K361 PolarHBondContact O-N 2.82Å; G358-K361 WeakPolarHBondContact O-CE 3.43Å; G358-K361 PolarHBondContact O-NZ 3.29Å | ||
| 362 | L | 87.3 | Confident | 89.5 | Confident | 113 Ų | 113 | 44.5 Ų | 44.5 | 59% | 0.592 | 23% | 0.23 | S | C | * | . | trans | -84 | 155.1 | 175.3 | -62.4 | 176.6 | 0 | 0 | 0 | 111.7 | F356 D357 T360 | F356-L362 CarbonylContact C-O 3.26Å; F356-L362 WeakPolarHBondContact CA-O 3.11Å; D357-L362 PolarHBondContact N-O 3.49Å; T360-L362 PolarHBondContact O-N 2.88Å; T360-L362 PolarHBondContact OG1-N 3.07Å | ||
| 363 | P | 91.9 | Very high | 89.1 | Confident | 61 Ų | 61 | 47.5 Ų | 47.5 | 40% | 0.396 | 27% | 0.267 | S | S | . | . | B | Isolated β-bridge | trans | -69.3 | 149.5 | 176.8 | 28 | -34.6 | 0 | 0 | 0 | 112.8 | V355 F356 Y384 | V355-P363 CarbonylContact O-C 3.53Å; V355-P363 WeakPolarHBondContact O-CA 3.39Å; F356-P363 HydrophobicContact CD1-CB 4.36Å; F356-P363 HydrophobicContact CE1-CB 4.36Å; P363-Y384 VanDerWaalsContact CB-O 3.27Å; P363-Y384 WeakPolarHBondContact CB-O 3.31Å |
| 364 | I | 91.3 | Very high | 88.9 | Confident | 11 Ų | 11 | 48.9 Ų | 48.9 | 6% | 0.056 | 27% | 0.274 | C | S | . | . | trans | -112.3 | 100.8 | 179.2 | -57.8 | 178.8 | 0 | 0 | 0 | 109.6 | V355 F356 D357 A367 S380 G385 K404 Y407 L435 | V355-I364 HydrophobicContact CB-CB 4.4Å; V355-I364 HydrophobicContact CG1-CB 4.07Å; V355-I364 HydrophobicContact CG1-CD1 4.44Å; V355-I364 PolarHBondContact O-N 2.85Å; F356-I364 WeakPolarHBondContact O-CD1 3.36Å; D357-I364 HydrophobicContact CB-CD1 4.1Å; D357-I364 HydrophobicContact CB-CG1 4.23Å; I364-A367 HydrophobicContact CG2-CB 4.12Å; I364-S380 PolarHBondContact O-OG 3.08Å; I364-S380 VanDerWaalsContact O-OG 3.1Å; I364-G385 WeakPolarHBondContact O-CA 3.41Å; I364-K404 HydrophobicContact CG2-CB 4.19Å; I364-K404 HydrophobicContact CG2-CD 3.79Å; I364-K404 HydrophobicContact CG2-CG 3.73Å; I364-Y407 HydrophobicContact CD1-CD1 4Å; I364-Y407 HydrophobicContact CD1-CE1 3.69Å; I364-Y407 HydrophobicContact CD1-CE2 4.42Å; I364-L435 HydrophobicContact CD1-CB 3.92Å; I364-L435 HydrophobicContact CD1-CD1 3.98Å; I364-L435 HydrophobicContact CD1-CG 4.2Å | ||
| 365 | G | 91.5 | Very high | 88.5 | Confident | 17 Ų | 17 | 51.3 Ų | 51.3 | 18% | 0.175 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 151.6 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | A367 T381 K404 | G365-A367 VanDerWaalsContact C-N 3.29Å; G365-A367 PolarHBondContact O-N 3.27Å; G365-T381 CarbonylContact C-O 3.56Å; G365-T381 WeakPolarHBondContact CA-O 3.42Å; G365-K404 PolarHBondContact O-NZ 3.32Å |
| 366 | K | 91.8 | Very high | 88.2 | Confident | 132 Ų | 132 | 52.4 Ų | 52.4 | 57% | 0.574 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 42.3 | -173.7 | -49.2 | -169.8 | -179.3 | -172 | 0 | 113.4 | S380 T381 P382 K404 | K366-S380 VanDerWaalsContact CA-O 3.24Å; K366-S380 WeakPolarHBondContact CA-O 3.48Å; K366-S380 PolarHBondContact N-O 2.83Å; K366-S380 PolarHBondContact N-OG 2.85Å; K366-T381 PolarHBondContact N-O 2.76Å; K366-P382 HydrophobicContact CG-CB 4.3Å; K366-P382 HydrophobicContact CG-CG 4.42Å; K366-K404 VanDerWaalsContact C-NZ 3.35Å; K366-K404 WeakPolarHBondContact O-CD 3.36Å; K366-K404 PolarHBondContact O-NZ 3.02Å |
| 367 | A | 94.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | trans | -84.9 | 140.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | V355 I364 G365 N379 S380 S403 K404 | V355-A367 HydrophobicContact CB-CB 4.26Å; V355-A367 HydrophobicContact CG1-CB 4Å; V355-A367 HydrophobicContact CG2-CB 4.12Å; I364-A367 HydrophobicContact CG2-CB 4.12Å; G365-A367 VanDerWaalsContact C-N 3.29Å; G365-A367 PolarHBondContact O-N 3.27Å; A367-N379 CarbonylContact O-C 2.95Å; A367-N379 WeakPolarHBondContact O-CA 3.28Å; A367-S380 PolarHBondContact N-OG 2.74Å; A367-S380 PolarHBondContact O-N 2.92Å; A367-S403 CarbonylContact C-O 3.59Å; A367-S403 WeakPolarHBondContact CA-O 3.44Å; A367-K404 HydrophobicContact CB-CB 4.43Å; A367-K404 HydrophobicContact CB-CD 4.25Å | ||
| 368 | S | 94.9 | Very high | 88.1 | Confident | 26 Ų | 26 | 52.8 Ų | 52.8 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 132.3 | -176.8 | -56.5 | 0 | 0 | 0 | 0 | 110.4 | Y370 N379 A402 S403 | S368-Y370 WeakPolarHBondContact O-CD2 3.3Å; S368-N379 WeakPolarHBondContact CA-OD1 3.49Å; S368-N379 WeakPolarHBondContact CB-OD1 3.28Å; S368-N379 PolarHBondContact OG-OD1 2.9Å; S368-A402 WeakPolarHBondContact O-CA 3.41Å; S368-S403 PolarHBondContact N-O 3.21Å; S368-S403 PolarHBondContact O-N 3.45Å |
| 369 | I | 95.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 112.3 | -178.2 | -50.8 | -59.3 | 0 | 0 | 0 | 108.4 | V355 V378 Y387 A402 F433 | V355-I369 HydrophobicContact CG2-CD1 4.03Å; I369-V378 PolarHBondContact N-O 3.16Å; I369-Y387 HydrophobicContact CB-CD2 4.49Å; I369-Y387 HydrophobicContact CD1-CD1 3.78Å; I369-Y387 HydrophobicContact CD1-CD2 4.35Å; I369-Y387 HydrophobicContact CD1-CE1 4.11Å; I369-Y387 HydrophobicContact CD1-CG 3.93Å; I369-Y387 HydrophobicContact CG1-CD1 4.07Å; I369-Y387 HydrophobicContact CG1-CD2 3.87Å; I369-Y387 HydrophobicContact CG1-CE2 4.46Å; I369-Y387 HydrophobicContact CG1-CG 3.67Å; I369-Y387 HydrophobicContact CG2-CD2 4.11Å; I369-Y387 HydrophobicContact CG2-CE2 4.07Å; I369-A402 HydrophobicContact CD1-CB 3.91Å; I369-F433 HydrophobicContact CD1-CD2 4.31Å; I369-F433 HydrophobicContact CD1-CE2 4.23Å |
| 370 | Y | 94.4 | Very high | 89.8 | Confident | 71 Ų | 71 | 53.5 Ų | 53.5 | 28% | 0.278 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 147.5 | -176.5 | -72 | -100.8 | 0 | 0 | 0 | 111.1 | S368 L377 V400 W401 | S368-Y370 WeakPolarHBondContact O-CD2 3.3Å; Y370-L377 HydrophobicContact CD1-CD2 3.5Å; Y370-L377 HydrophobicContact CD2-CD2 4.46Å; Y370-L377 HydrophobicContact CE1-CD1 4.03Å; Y370-L377 HydrophobicContact CE1-CD2 3.42Å; Y370-L377 VanDerWaalsContact CE1-CD2 3.42Å; Y370-L377 HydrophobicContact CE1-CG 4.39Å; Y370-L377 HydrophobicContact CE2-CD2 4.38Å; Y370-L377 HydrophobicContact CG-CD2 4.04Å; Y370-V400 VanDerWaalsContact O-CA 3.31Å; Y370-V400 WeakPolarHBondContact O-CA 3.48Å; Y370-W401 VanDerWaalsContact CB-CE2 3.48Å; Y370-W401 HydrophobicContact CD1-CH2 4.45Å; Y370-W401 AromaticContact CD1-CZ2 3.92Å; Y370-W401 HydrophobicContact CD1-CZ2 3.92Å; Y370-W401 HydrophobicContact CG-CD2 4.37Å; Y370-W401 AromaticContact CG-CE2 3.79Å; Y370-W401 HydrophobicContact CG-CH2 4.43Å; Y370-W401 AromaticContact CG-CZ2 3.85Å; Y370-W401 HydrophobicContact CG-CZ2 3.85Å; Y370-W401 PolarHBondContact N-O 2.86Å; Y370-W401 PolarHBondContact O-N 3.28Å |
| 371 | V | 93.2 | Very high | 90.5 | Very high | 6 Ų | 6 | 50.3 Ų | 50.3 | 4% | 0.036 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 123.7 | 171.2 | -171 | 0 | 0 | 0 | 0 | 107.9 | G373 L374 R389 L391 Y398 R399 V400 | V371-G373 PolarHBondContact O-N 2.97Å; V371-L374 HydrophobicContact CB-CB 4.27Å; V371-L374 HydrophobicContact CB-CD1 3.99Å; V371-L374 HydrophobicContact CB-CG 4.32Å; V371-L374 HydrophobicContact CG1-CD1 3.77Å; V371-L374 HydrophobicContact CG1-CG 4.23Å; V371-L374 PolarHBondContact O-N 2.71Å; V371-R389 HydrophobicContact CG2-CG 3.83Å; V371-L391 HydrophobicContact CG1-CD2 4.23Å; V371-L391 HydrophobicContact CG2-CD2 4.43Å; V371-Y398 HydrophobicContact CG1-CD1 3.59Å; V371-Y398 HydrophobicContact CG1-CE1 4.42Å; V371-Y398 HydrophobicContact CG1-CG 3.89Å; V371-R399 WeakPolarHBondContact CA-O 3.36Å; V371-V400 HydrophobicContact CG1-CG1 4.24Å; V371-V400 HydrophobicContact CG2-CG1 4.14Å |
| 372 | E | 89.6 | Confident | 90.9 | Very high | 74 Ų | 74 | 46.5 Ų | 46.5 | 35% | 0.346 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 121.8 | -175.4 | -162.8 | 150.8 | -85.8 | 0 | 0 | 110.9 | R399 W401 K412 | E372-R399 HydrophobicContact CB-CB 3.83Å; E372-R399 PolarHBondContact N-O 2.84Å; E372-R399 WeakPolarHBondContact OE2-CD 3.4Å; E372-R399 IonicContact OE2-NH1 4Å; E372-W401 HydrophobicContact CB-CZ3 4.11Å; E372-K412 IonicContact OE1-NZ 2.7Å; E372-K412 PolarHBondContact OE1-NZ 2.75Å |
| 373 | G | 84.5 | Confident | 90.9 | Very high | 82 Ų | 82 | 50.1 Ų | 50.1 | 85% | 0.845 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.1 | -11.9 | -176 | 0 | 0 | 0 | 0 | 0 | 116.1 | V371 | V371-G373 PolarHBondContact O-N 2.97Š|
| 374 | L | 88.3 | Confident | 90.9 | Very high | 33 Ų | 33 | 51.4 Ų | 51.4 | 17% | 0.173 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 123.8 | 179 | -52.2 | 178.6 | 0 | 0 | 0 | 110.1 | V371 L391 Y398 | V371-L374 HydrophobicContact CB-CB 4.27Å; V371-L374 HydrophobicContact CB-CD1 3.99Å; V371-L374 HydrophobicContact CB-CG 4.32Å; V371-L374 HydrophobicContact CG1-CD1 3.77Å; V371-L374 HydrophobicContact CG1-CG 4.23Å; V371-L374 PolarHBondContact O-N 2.71Å; L374-L391 HydrophobicContact CD1-CD2 3.79Å; L374-Y398 HydrophobicContact CD1-CE1 4.22Å |
| 375 | S | 86.7 | Confident | 90.9 | Very high | 95 Ų | 95 | 50.9 Ų | 50.9 | 66% | 0.664 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.6 | -10.9 | -173.3 | 56.3 | 0 | 0 | 0 | 0 | 115.2 | P253 | P253-S375 WeakPolarHBondContact CB-OG 3.39Å; P253-S375 VanDerWaalsContact CG-OG 3.29Å; P253-S375 WeakPolarHBondContact CG-OG 3.41Å |
| 376 | H | 89.1 | Confident | 91.1 | Very high | 22 Ų | 22 | 50.1 Ų | 50.1 | 10% | 0.102 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 135 | 173 | 175.1 | 72.9 | 0 | 0 | 0 | 110.8 | P253 D254 Y306 | P253-H376 HydrophobicContact CB-CB 3.99Å; P253-H376 HydrophobicContact CG-CB 4.31Å; D254-H376 IonicContact OD2-CD2 3.35Å; D254-H376 PolarHBondContact OD2-CD2 3.48Å; D254-H376 IonicContact OD2-CG 2.73Å; Y306-H376 AromaticContact CD2-CE1 3.99Å; Y306-H376 HydrophobicContact CE2-CB 4.18Å; Y306-H376 AromaticContact CE2-CD2 3.49Å; Y306-H376 VanDerWaalsContact CE2-CD2 3.49Å; Y306-H376 WeakPolarHBondContact CE2-CD2 3.45Å; Y306-H376 AromaticContact CE2-CE1 3.86Å; Y306-H376 AromaticContact CE2-CG 3.51Å; Y306-H376 AromaticContact CE2-ND1 3.75Å; Y306-H376 AromaticContact CE2-NE2 3.74Å; Y306-H376 AromaticContact CZ-CG 3.7Å; Y306-H376 AromaticContact CZ-ND1 3.95Å; Y306-H376 PolarHBondContact O-CE1 2.9Å; Y306-H376 WeakPolarHBondContact OH-CB 3.22Å |
| 377 | L | 85.1 | Confident | 91.2 | Very high | 58 Ų | 58 | 43.9 Ų | 43.9 | 30% | 0.304 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 121.2 | -173.1 | -59.5 | -179.6 | 0 | 0 | 0 | 111.3 | Y370 | Y370-L377 HydrophobicContact CD1-CD2 3.5Å; Y370-L377 HydrophobicContact CD2-CD2 4.46Å; Y370-L377 HydrophobicContact CE1-CD1 4.03Å; Y370-L377 HydrophobicContact CE1-CD2 3.42Å; Y370-L377 VanDerWaalsContact CE1-CD2 3.42Å; Y370-L377 HydrophobicContact CE1-CG 4.39Å; Y370-L377 HydrophobicContact CE2-CD2 4.38Å; Y370-L377 HydrophobicContact CG-CD2 4.04Å |
| 378 | V | 90.9 | Very high | 91.3 | Very high | 18 Ų | 18 | 44.6 Ų | 44.6 | 11% | 0.109 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 139.7 | 168.4 | 177.8 | 0 | 0 | 0 | 0 | 108.9 | I369 R389 | I369-V378 PolarHBondContact N-O 3.16Å; V378-R389 VanDerWaalsContact CG2-CD 3.48Å |
| 379 | N | 93.3 | Very high | 91.2 | Very high | 86 Ų | 86 | 43.4 Ų | 43.4 | 46% | 0.46 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 149 | 179 | -66.6 | -60.6 | 0 | 0 | 0 | 111.3 | A367 S368 | A367-N379 CarbonylContact O-C 2.95Å; A367-N379 WeakPolarHBondContact O-CA 3.28Å; S368-N379 WeakPolarHBondContact CA-OD1 3.49Å; S368-N379 WeakPolarHBondContact CB-OD1 3.28Å; S368-N379 PolarHBondContact OG-OD1 2.9Å |
| 380 | S | 94.6 | Very high | 91.2 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 3% | 0.028 | 24% | 0.236 | C | C | . | . | trans | -71.4 | 155.2 | 170 | 67.9 | 0 | 0 | 0 | 0 | 112.4 | I364 K366 A367 G385 D386 | I364-S380 PolarHBondContact O-OG 3.08Å; I364-S380 VanDerWaalsContact O-OG 3.1Å; K366-S380 VanDerWaalsContact CA-O 3.24Å; K366-S380 WeakPolarHBondContact CA-O 3.48Å; K366-S380 PolarHBondContact N-O 2.83Å; K366-S380 PolarHBondContact N-OG 2.85Å; A367-S380 PolarHBondContact N-OG 2.74Å; A367-S380 PolarHBondContact O-N 2.92Å; S380-G385 WeakPolarHBondContact CB-O 3.48Å; S380-D386 CarbonylContact C-O 3.51Å; S380-D386 WeakPolarHBondContact CA-O 3.31Å; S380-D386 VanDerWaalsContact CB-O 3.28Å; S380-D386 WeakPolarHBondContact CB-O 3.44Å | ||
| 381 | T | 92 | Very high | 91.1 | Very high | 7 Ų | 7 | 40.1 Ų | 40.1 | 4% | 0.043 | 22% | 0.222 | C | C | . | . | trans | -58 | 155 | -176.5 | 70.8 | 0 | 0 | 0 | 0 | 112.1 | G365 K366 Y383 Y384 G385 D386 W388 | G365-T381 CarbonylContact C-O 3.56Å; G365-T381 WeakPolarHBondContact CA-O 3.42Å; K366-T381 PolarHBondContact N-O 2.76Å; T381-Y383 VanDerWaalsContact C-N 3.25Å; T381-Y383 PolarHBondContact O-N 3.19Å; T381-Y384 PolarHBondContact OG1-N 3.2Å; T381-G385 PolarHBondContact OG1-N 3.04Å; T381-D386 WeakPolarHBondContact CB-OD1 3.15Å; T381-D386 WeakPolarHBondContact CG2-OD1 3.43Å; T381-D386 PolarHBondContact N-O 3.15Å; T381-D386 PolarHBondContact OG1-OD1 2.75Å; T381-W388 HydrophobicContact CG2-CH2 4.26Å; T381-W388 HydrophobicContact CG2-CZ3 3.92Å | ||
| 382 | P | 88.5 | Confident | 90.9 | Very high | 61 Ų | 61 | 39.9 Ų | 39.9 | 40% | 0.396 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -21.7 | -173.6 | -23.3 | 34.7 | 0 | 0 | 0 | 115.7 | K366 | K366-P382 HydrophobicContact CG-CB 4.3Å; K366-P382 HydrophobicContact CG-CG 4.42Å |
| 383 | Y | 87.8 | Confident | 90.6 | Very high | 189 Ų | 189 | 38 Ų | 38 | 74% | 0.741 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -121 | -39.4 | -168 | -61.3 | -71.2 | 0 | 0 | 0 | 114.1 | T381 | T381-Y383 VanDerWaalsContact C-N 3.25Å; T381-Y383 PolarHBondContact O-N 3.19Å |
| 384 | Y | 90.9 | Very high | 90.4 | Very high | 87 Ų | 87 | 39.8 Ų | 39.8 | 34% | 0.341 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -18.3 | -174.5 | -56.8 | -71 | 0 | 0 | 0 | 112.9 | P108 P363 T381 D386 | P108-Y384 HydrophobicContact CB-CG 4.24Å; P108-Y384 HydrophobicContact CG-CD1 3.74Å; P108-Y384 HydrophobicContact CG-CD2 3.7Å; P108-Y384 HydrophobicContact CG-CE1 3.9Å; P108-Y384 HydrophobicContact CG-CE2 3.85Å; P108-Y384 HydrophobicContact CG-CG 3.62Å; P363-Y384 VanDerWaalsContact CB-O 3.27Å; P363-Y384 WeakPolarHBondContact CB-O 3.31Å; T381-Y384 PolarHBondContact OG1-N 3.2Å; Y384-D386 VanDerWaalsContact C-N 3.25Å; Y384-D386 WeakPolarHBondContact CB-OD1 3.39Å; Y384-D386 PolarHBondContact O-N 3.25Å |
| 385 | G | 92.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | 73.4 | 16.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | F354 V355 I364 S380 T381 | F354-G385 CarbonylContact C-O 3.58Å; F354-G385 WeakPolarHBondContact CA-O 3.4Å; V355-G385 PolarHBondContact N-O 2.76Å; I364-G385 WeakPolarHBondContact O-CA 3.41Å; S380-G385 WeakPolarHBondContact CB-O 3.48Å; T381-G385 PolarHBondContact OG1-N 3.04Å | ||
| 386 | D | 94.7 | Very high | 89.1 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 158.8 | 170.5 | 53.1 | -22.3 | 0 | 0 | 0 | 113.4 | H106 P108 G109 G353 F354 S380 T381 Y384 W388 | H106-D386 IonicContact NE2-OD2 3.86Å; P108-D386 VanDerWaalsContact CA-OD2 3.31Å; P108-D386 WeakPolarHBondContact CA-OD2 3.44Å; G109-D386 PolarHBondContact N-OD2 3.42Å; G353-D386 CarbonylContact O-C 3.57Å; G353-D386 WeakPolarHBondContact O-CA 3.3Å; F354-D386 HydrophobicContact CD1-CB 3.78Å; F354-D386 HydrophobicContact CD2-CB 4.49Å; F354-D386 HydrophobicContact CE1-CB 3.68Å; F354-D386 HydrophobicContact CE2-CB 4.41Å; F354-D386 HydrophobicContact CG-CB 4.19Å; F354-D386 HydrophobicContact CZ-CB 4.01Å; S380-D386 CarbonylContact C-O 3.51Å; S380-D386 WeakPolarHBondContact CA-O 3.31Å; S380-D386 VanDerWaalsContact CB-O 3.28Å; S380-D386 WeakPolarHBondContact CB-O 3.44Å; T381-D386 WeakPolarHBondContact CB-OD1 3.15Å; T381-D386 WeakPolarHBondContact CG2-OD1 3.43Å; T381-D386 PolarHBondContact N-O 3.15Å; T381-D386 PolarHBondContact OG1-OD1 2.75Å; Y384-D386 VanDerWaalsContact C-N 3.25Å; Y384-D386 WeakPolarHBondContact CB-OD1 3.39Å; Y384-D386 PolarHBondContact O-N 3.25Å; D386-W388 HydrophobicContact CB-CH2 4.44Å; D386-W388 WeakPolarHBondContact OD2-CH2 3.47Å |
| 387 | Y | 95.2 | Very high | 89.2 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 161.8 | -175.4 | 70.5 | -89.8 | 0 | 0 | 0 | 112.9 | L351 R352 G353 I369 L431 F433 | L351-Y387 HydrophobicContact CG-CE2 4.24Å; L351-Y387 WeakPolarHBondContact O-CE2 3.38Å; R352-Y387 VanDerWaalsContact CA-O 3.26Å; R352-Y387 WeakPolarHBondContact CA-O 3.23Å; R352-Y387 WeakPolarHBondContact CB-O 3.44Å; G353-Y387 WeakPolarHBondContact O-CD1 3.38Å; G353-Y387 VanDerWaalsContact O-CE1 3.31Å; G353-Y387 WeakPolarHBondContact O-CE1 3.43Å; G353-Y387 PolarHBondContact O-N 2.03Å; G353-Y387 VanDerWaalsContact O-N 3.08Å; I369-Y387 HydrophobicContact CB-CD2 4.49Å; I369-Y387 HydrophobicContact CD1-CD1 3.78Å; I369-Y387 HydrophobicContact CD1-CD2 4.35Å; I369-Y387 HydrophobicContact CD1-CE1 4.11Å; I369-Y387 HydrophobicContact CD1-CG 3.93Å; I369-Y387 HydrophobicContact CG1-CD1 4.07Å; I369-Y387 HydrophobicContact CG1-CD2 3.87Å; I369-Y387 HydrophobicContact CG1-CE2 4.46Å; I369-Y387 HydrophobicContact CG1-CG 3.67Å; I369-Y387 HydrophobicContact CG2-CD2 4.11Å; I369-Y387 HydrophobicContact CG2-CE2 4.07Å; Y387-L431 PolarHBondContact OH-O 2.83Å; Y387-F433 HydrophobicContact CE1-CD2 4Å; Y387-F433 AromaticContact CE1-CE2 3.92Å; Y387-F433 HydrophobicContact CE1-CE2 3.92Å; Y387-F433 AromaticContact CZ-CE2 3.76Å; Y387-F433 WeakPolarHBondContact OH-CE2 3.24Å |
| 388 | W | 95.2 | Very high | 89.4 | Confident | 15 Ų | 15 | 38.5 Ų | 38.5 | 6% | 0.057 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 116 | 170.9 | -57.3 | -94 | 0 | 0 | 0 | 110.2 | H106 V110 P111 V223 A350 L351 T381 D386 | H106-W388 AromaticContact CE1-CH2 3.52Å; H106-W388 AromaticContact CE1-CZ3 3.98Å; H106-W388 AromaticContact NE2-CH2 3.74Å; V110-W388 WeakPolarHBondContact O-CZ2 3.15Å; P111-W388 HydrophobicContact CB-CD2 4.1Å; P111-W388 HydrophobicContact CB-CG 4.08Å; V223-W388 HydrophobicContact CG1-CB 3.98Å; V223-W388 HydrophobicContact CG2-CB 3.87Å; V223-W388 HydrophobicContact CG2-CD2 4.09Å; V223-W388 HydrophobicContact CG2-CE3 3.95Å; V223-W388 HydrophobicContact CG2-CG 4.07Å; A350-W388 HydrophobicContact CB-CB 3.83Å; L351-W388 CarbonylContact O-C 3.39Å; L351-W388 WeakPolarHBondContact O-CA 3.32Å; T381-W388 HydrophobicContact CG2-CH2 4.26Å; T381-W388 HydrophobicContact CG2-CZ3 3.92Å; D386-W388 HydrophobicContact CB-CH2 4.44Å; D386-W388 WeakPolarHBondContact OD2-CH2 3.47Å |
| 389 | R | 94 | Very high | 89.4 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 104 | 175 | -174.8 | 66 | 176.4 | 130.2 | 9.8 | 109.5 | D254 A350 L351 V371 V378 L391 | D254-R389 VanDerWaalsContact CG-NH2 3.32Å; D254-R389 IonicContact OD1-CZ 3.38Å; D254-R389 IonicContact OD1-NH1 2.67Å; D254-R389 PolarHBondContact OD1-NH1 2.69Å; D254-R389 IonicContact OD1-NH2 4Å; D254-R389 PolarHBondContact OD1-NH2 2.9Å; D254-R389 IonicContact OD2-CZ 2.75Å; D254-R389 IonicContact OD2-NH1 3.44Å; D254-R389 PolarHBondContact OD2-NH1 3.18Å; D254-R389 IonicContact OD2-NH2 3.13Å; D254-R389 PolarHBondContact OD2-NH2 2.96Å; D254-R389 VanDerWaalsContact OD2-NH2 3.09Å; A350-R389 WeakPolarHBondContact CA-O 3.24Å; L351-R389 PolarHBondContact N-O 2.87Å; L351-R389 PolarHBondContact O-N 3.05Å; V371-R389 HydrophobicContact CG2-CG 3.83Å; V378-R389 VanDerWaalsContact CG2-CD 3.48Å; R389-L391 HydrophobicContact CG-CD2 4.41Å; R389-L391 HydrophobicContact CG-CG 4.37Å |
| 390 | L | 93.9 | Very high | 89.4 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | trans | -65.5 | 136.7 | 170.2 | -79.2 | 170.4 | 0 | 0 | 0 | 110.3 | V223 L224 T257 M312 E346 A350 | V223-L390 HydrophobicContact CG1-CD1 4.02Å; V223-L390 HydrophobicContact CG1-CG 4.2Å; L224-L390 HydrophobicContact CD1-CD1 4.14Å; T257-L390 HydrophobicContact CG2-CB 4.11Å; M312-L390 HydrophobicContact CE-CB 4.19Å; M312-L390 HydrophobicContact SD-CB 3.78Å; M312-L390 HydrophobicContact SD-CD1 3.9Å; M312-L390 HydrophobicContact SD-CG 4.49Å; E346-L390 WeakPolarHBondContact O-CD2 3.31Å; A350-L390 HydrophobicContact CB-CD2 3.96Å; A350-L390 HydrophobicContact CB-CG 4.12Å | ||
| 391 | L | 93.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -138.2 | 152.2 | 177.8 | -70 | 176.2 | 0 | 0 | 0 | 109.7 | R349 V371 L374 R389 Y398 A417 L420 | R349-L391 PolarHBondContact NE-O 2.92Å; V371-L391 HydrophobicContact CG1-CD2 4.23Å; V371-L391 HydrophobicContact CG2-CD2 4.43Å; L374-L391 HydrophobicContact CD1-CD2 3.79Å; R389-L391 HydrophobicContact CG-CD2 4.41Å; R389-L391 HydrophobicContact CG-CG 4.37Å; L391-Y398 HydrophobicContact CD1-CD2 4.09Å; L391-Y398 HydrophobicContact CD2-CE2 4.5Å; L391-A417 HydrophobicContact CB-CB 4.09Å; L391-L420 HydrophobicContact CB-CD1 4.18Å; L391-L420 HydrophobicContact CD1-CD1 4.1Å | ||
| 392 | P | 88.9 | Confident | 89.6 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.013 | 21% | 0.207 | C | C | . | . | trans | -76.8 | 136.1 | -178.3 | 31 | -31.2 | 0 | 0 | 0 | 110 | A256 T257 T394 G395 Y398 A417 | A256-P392 HydrophobicContact CB-CB 4.26Å; A256-P392 HydrophobicContact CB-CG 4.05Å; T257-P392 WeakPolarHBondContact OG1-CD 3.47Å; P392-T394 PolarHBondContact O-N 2.93Å; P392-T394 VanDerWaalsContact O-N 3.14Å; P392-G395 PolarHBondContact O-N 3.47Å; P392-Y398 WeakPolarHBondContact CG-OH 3.5Å; P392-A417 WeakPolarHBondContact O-CB 3.28Å | ||
| 393 | P | 84.3 | Confident | 89.7 | Confident | 34 Ų | 34 | 38.2 Ų | 38.2 | 22% | 0.221 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -17.1 | -177.5 | 28.1 | -32.3 | 0 | 0 | 0 | 112.4 | H260 G395 S418 | H260-P393 VanDerWaalsContact CE1-CG 3.43Å; H260-P393 WeakPolarHBondContact CE1-CG 3.29Å; P393-G395 VanDerWaalsContact C-N 3.32Å; P393-S418 WeakPolarHBondContact O-CA 3.17Å; P393-S418 WeakPolarHBondContact O-CB 3.19Å; P393-S418 PolarHBondContact O-OG 2.83Å |
| 394 | T | 78.5 | Confident | 89.9 | Confident | 120 Ų | 120 | 31.9 Ų | 31.9 | 74% | 0.736 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85 | 0.4 | 173.3 | 54.9 | 0 | 0 | 0 | 0 | 113.6 | P392 | P392-T394 PolarHBondContact O-N 2.93Å; P392-T394 VanDerWaalsContact O-N 3.14Å |
| 395 | G | 68 | Low | 89.6 | Confident | 27 Ų | 27 | 35.9 Ų | 35.9 | 28% | 0.278 | 20% | 0.196 | S | C | . | . | trans | -79.9 | -12.2 | -167.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | P392 P393 Y398 | P392-G395 PolarHBondContact O-N 3.47Å; P393-G395 VanDerWaalsContact C-N 3.32Å; G395-Y398 WeakPolarHBondContact CA-OH 3.46Å | ||
| 396 | G | 80.6 | Confident | 89.1 | Confident | 27 Ų | 27 | 37.9 Ų | 37.9 | 28% | 0.278 | 22% | 0.218 | S | C | . | . | trans | 72.1 | -140.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N416 A417 | G396-N416 CarbonylContact O-C 3.6Å; G396-N416 PolarHBondContact O-OD1 3.25Å; G396-A417 PolarHBondContact O-N 3.46Å | ||
| 397 | V | 90 | Very high | 88.8 | Confident | 91 Ų | 91 | 40.8 Ų | 40.8 | 55% | 0.552 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 125.1 | -175.2 | -175.6 | 0 | 0 | 0 | 0 | 111.1 | E414 V415 N416 | V397-E414 HydrophobicContact CG1-CB 4.07Å; V397-V415 WeakPolarHBondContact CA-O 3.32Å; V397-N416 HydrophobicContact CG2-CB 4.09Å |
| 398 | Y | 90 | Very high | 88.2 | Confident | 36 Ų | 36 | 41.5 Ų | 41.5 | 14% | 0.141 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 153.8 | 175.5 | -65.5 | -86.9 | 0 | 0 | 0 | 111.3 | V371 L374 L391 P392 G395 E414 V415 A417 | V371-Y398 HydrophobicContact CG1-CD1 3.59Å; V371-Y398 HydrophobicContact CG1-CE1 4.42Å; V371-Y398 HydrophobicContact CG1-CG 3.89Å; L374-Y398 HydrophobicContact CD1-CE1 4.22Å; L391-Y398 HydrophobicContact CD1-CD2 4.09Å; L391-Y398 HydrophobicContact CD2-CE2 4.5Å; P392-Y398 WeakPolarHBondContact CG-OH 3.5Å; G395-Y398 WeakPolarHBondContact CA-OH 3.46Å; Y398-E414 WeakPolarHBondContact O-CA 3.23Å; Y398-V415 PolarHBondContact N-O 3.39Å; Y398-V415 PolarHBondContact O-N 3.39Å; Y398-A417 HydrophobicContact CD2-CB 3.81Å; Y398-A417 HydrophobicContact CE2-CB 3.65Å |
| 399 | R | 91.7 | Very high | 87.8 | Confident | 116 Ų | 116 | 44.8 Ų | 44.8 | 44% | 0.438 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 130.9 | 168 | -78.9 | 165.2 | 174.5 | 169.4 | 2.3 | 110.5 | V371 E372 Y413 E414 | V371-R399 WeakPolarHBondContact CA-O 3.36Å; E372-R399 HydrophobicContact CB-CB 3.83Å; E372-R399 PolarHBondContact N-O 2.84Å; E372-R399 WeakPolarHBondContact OE2-CD 3.4Å; E372-R399 IonicContact OE2-NH1 4Å; R399-Y413 CarbonylContact C-O 3.53Å; R399-Y413 WeakPolarHBondContact CA-O 3.21Å; R399-E414 HydrophobicContact CG-CG 3.62Å; R399-E414 IonicContact CZ-OE1 3.51Å; R399-E414 IonicContact NE-OE1 2.75Å; R399-E414 PolarHBondContact NE-OE1 3.44Å; R399-E414 IonicContact NH2-OE1 3.43Å; R399-E414 PolarHBondContact NH2-OE1 2.8Å |
| 400 | V | 92.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 144.1 | -174.5 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | L351 Y370 V371 K412 Y413 V415 L431 F433 | L351-V400 HydrophobicContact CD2-CB 4.38Å; L351-V400 HydrophobicContact CD2-CG1 4.01Å; L351-V400 HydrophobicContact CD2-CG2 4.08Å; Y370-V400 VanDerWaalsContact O-CA 3.31Å; Y370-V400 WeakPolarHBondContact O-CA 3.48Å; V371-V400 HydrophobicContact CG1-CG1 4.24Å; V371-V400 HydrophobicContact CG2-CG1 4.14Å; V400-K412 WeakPolarHBondContact O-CA 3.4Å; V400-Y413 PolarHBondContact N-O 2.93Å; V400-Y413 PolarHBondContact O-N 3Å; V400-V415 HydrophobicContact CG2-CG2 3.7Å; V400-L431 HydrophobicContact CG2-CD2 3.72Å; V400-F433 HydrophobicContact CG2-CZ 4.22Å |
| 401 | W | 94.5 | Very high | 86.5 | Confident | 33 Ų | 33 | 51.3 Ų | 51.3 | 13% | 0.125 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 163.2 | 175.2 | 70.5 | 105.4 | 0 | 0 | 0 | 111.5 | Y370 E372 D409 S410 K412 | Y370-W401 VanDerWaalsContact CB-CE2 3.48Å; Y370-W401 HydrophobicContact CD1-CH2 4.45Å; Y370-W401 AromaticContact CD1-CZ2 3.92Å; Y370-W401 HydrophobicContact CD1-CZ2 3.92Å; Y370-W401 HydrophobicContact CG-CD2 4.37Å; Y370-W401 AromaticContact CG-CE2 3.79Å; Y370-W401 HydrophobicContact CG-CH2 4.43Å; Y370-W401 AromaticContact CG-CZ2 3.85Å; Y370-W401 HydrophobicContact CG-CZ2 3.85Å; Y370-W401 PolarHBondContact N-O 2.86Å; Y370-W401 PolarHBondContact O-N 3.28Å; E372-W401 HydrophobicContact CB-CZ3 4.11Å; W401-D409 VanDerWaalsContact CD1-OD2 3.27Å; W401-D409 PolarHBondContact NE1-OD2 3.38Å; W401-S410 WeakPolarHBondContact CB-OG 3.48Å; W401-K412 HydrophobicContact CB-CG 4Å; W401-K412 HydrophobicContact CD2-CD 4.39Å; W401-K412 HydrophobicContact CD2-CG 4.04Å; W401-K412 HydrophobicContact CE3-CD 4Å; W401-K412 HydrophobicContact CE3-CG 3.91Å; W401-K412 HydrophobicContact CG-CG 4.12Å; W401-K412 HydrophobicContact CZ3-CD 4.32Å |
| 402 | A | 95.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 146.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111 | V355 S368 I369 S410 F433 L435 | V355-A402 HydrophobicContact CG1-CB 4.3Å; V355-A402 HydrophobicContact CG2-CB 4.18Å; S368-A402 WeakPolarHBondContact O-CA 3.41Å; I369-A402 HydrophobicContact CD1-CB 3.91Å; A402-S410 PolarHBondContact N-OG 2.95Å; A402-S410 PolarHBondContact O-N 3.24Å; A402-F433 HydrophobicContact CB-CB 3.74Å; A402-F433 HydrophobicContact CB-CD1 4.13Å; A402-F433 HydrophobicContact CB-CD2 3.66Å; A402-F433 HydrophobicContact CB-CE2 4.23Å; A402-F433 HydrophobicContact CB-CG 3.58Å; A402-L435 HydrophobicContact CB-CD2 4.31Å; A402-L435 WeakPolarHBondContact O-CD2 3.48Å |
| 403 | S | 92.1 | Very high | 86 | Confident | 21 Ų | 21 | 59.6 Ų | 59.6 | 15% | 0.147 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 154.6 | 172.2 | -172.3 | 0 | 0 | 0 | 0 | 111.6 | A367 S368 D409 | A367-S403 CarbonylContact C-O 3.59Å; A367-S403 WeakPolarHBondContact CA-O 3.44Å; S368-S403 PolarHBondContact N-O 3.21Å; S368-S403 PolarHBondContact O-N 3.45Å; S403-D409 WeakPolarHBondContact CB-OD1 3.15Å; S403-D409 PolarHBondContact OG-OD1 2.75Å |
| 404 | K | 91.7 | Very high | 86.2 | Confident | 55 Ų | 55 | 62.4 Ų | 62.4 | 24% | 0.239 | 33% | 0.33 | C | S | . | . | trans | -149.6 | 131.9 | 174.6 | -174.9 | 74.4 | -171.2 | -170.9 | 0 | 109.7 | I364 G365 K366 A367 G406 Y407 L435 | I364-K404 HydrophobicContact CG2-CB 4.19Å; I364-K404 HydrophobicContact CG2-CD 3.79Å; I364-K404 HydrophobicContact CG2-CG 3.73Å; G365-K404 PolarHBondContact O-NZ 3.32Å; K366-K404 VanDerWaalsContact C-NZ 3.35Å; K366-K404 WeakPolarHBondContact O-CD 3.36Å; K366-K404 PolarHBondContact O-NZ 3.02Å; A367-K404 HydrophobicContact CB-CB 4.43Å; A367-K404 HydrophobicContact CB-CD 4.25Å; K404-G406 PolarHBondContact O-N 2.87Å; K404-Y407 HydrophobicContact CB-CD2 3.95Å; K404-Y407 HydrophobicContact CB-CG 4.34Å; K404-Y407 HydrophobicContact CG-CD2 3.75Å; K404-Y407 HydrophobicContact CG-CE2 4.22Å; K404-Y407 WeakPolarHBondContact O-CB 3.38Å; K404-Y407 PolarHBondContact O-N 3.28Å; K404-L435 HydrophobicContact CB-CD1 3.63Å | ||
| 405 | I | 84.8 | Confident | 86.8 | Confident | 171 Ų | 171 | 56.7 Ų | 56.7 | 88% | 0.877 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 127 | 173.3 | -59 | 174.6 | 0 | 0 | 0 | 109.5 | ||
| 406 | G | 82.6 | Confident | 87.9 | Confident | 43 Ų | 43 | 58 Ų | 58 | 44% | 0.443 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | 7.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | K404 D438 | K404-G406 PolarHBondContact O-N 2.87Å; G406-D438 PolarHBondContact O-N 2.94Å |
| 407 | Y | 87 | Confident | 88.4 | Confident | 61 Ų | 61 | 56.7 Ų | 56.7 | 24% | 0.239 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 156.8 | 175.5 | -68 | -104 | 0 | 0 | 0 | 111.1 | D357 I364 K404 L435 W436 P437 | D357-Y407 HydrophobicContact CB-CE1 4.31Å; D357-Y407 PolarHBondContact OD2-OH 2.92Å; I364-Y407 HydrophobicContact CD1-CD1 4Å; I364-Y407 HydrophobicContact CD1-CE1 3.69Å; I364-Y407 HydrophobicContact CD1-CE2 4.42Å; K404-Y407 HydrophobicContact CB-CD2 3.95Å; K404-Y407 HydrophobicContact CB-CG 4.34Å; K404-Y407 HydrophobicContact CG-CD2 3.75Å; K404-Y407 HydrophobicContact CG-CE2 4.22Å; K404-Y407 WeakPolarHBondContact O-CB 3.38Å; K404-Y407 PolarHBondContact O-N 3.28Å; Y407-L435 HydrophobicContact CD1-CB 3.73Å; Y407-L435 HydrophobicContact CG-CB 4.09Å; Y407-W436 CarbonylContact C-O 3.56Å; Y407-W436 WeakPolarHBondContact CA-O 3.3Å; Y407-W436 WeakPolarHBondContact CB-O 3.22Å; Y407-W436 VanDerWaalsContact CD1-C 3.45Å; Y407-P437 HydrophobicContact CD1-CG 4.29Å; Y407-P437 HydrophobicContact CE1-CB 4.46Å; Y407-P437 HydrophobicContact CE1-CG 3.86Å |
| 408 | F | 83.7 | Confident | 88.3 | Confident | 18 Ų | 18 | 55.6 Ų | 55.6 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 139.6 | 162.5 | -62.7 | -84 | 0 | 0 | 0 | 110.4 | W436 D438 T454 R457 L458 | F408-W436 HydrophobicContact CD2-CB 4.04Å; F408-W436 WeakPolarHBondContact CD2-O 3.4Å; F408-W436 PolarHBondContact N-O 2.95Å; F408-D438 HydrophobicContact CD2-CB 4.12Å; F408-D438 HydrophobicContact CE2-CB 4.02Å; F408-D438 HydrophobicContact CG-CB 4.44Å; F408-D438 HydrophobicContact CZ-CB 4.27Å; F408-T454 HydrophobicContact CE1-CG2 4.5Å; F408-R457 HydrophobicContact CE1-CB 4.17Å; F408-R457 VanDerWaalsContact CE1-NH1 3.32Å; F408-R457 HydrophobicContact CZ-CB 3.81Å; F408-R457 VanDerWaalsContact CZ-NH1 3.28Å; F408-L458 HydrophobicContact CB-CD2 4.21Å; F408-L458 HydrophobicContact CD1-CD2 3.97Å; F408-L458 HydrophobicContact CD2-CD2 3.83Å; F408-L458 HydrophobicContact CE1-CD2 4.27Å; F408-L458 HydrophobicContact CE2-CD2 4.14Å; F408-L458 HydrophobicContact CG-CD2 3.74Å; F408-L458 HydrophobicContact CZ-CD2 4.35Å |
| 409 | D | 86.1 | Confident | 88.3 | Confident | 84 Ų | 84 | 58.1 Ų | 58.1 | 45% | 0.449 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 150.2 | 169.9 | -77.4 | 24.5 | 0 | 0 | 0 | 112 | W401 S403 | W401-D409 VanDerWaalsContact CD1-OD2 3.27Å; W401-D409 PolarHBondContact NE1-OD2 3.38Å; S403-D409 WeakPolarHBondContact CB-OD1 3.15Å; S403-D409 PolarHBondContact OG-OD1 2.75Å |
| 410 | S | 85 | Confident | 88.2 | Confident | 14 Ų | 14 | 53.2 Ų | 53.2 | 10% | 0.098 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 167.7 | 172.6 | 74.6 | 0 | 0 | 0 | 0 | 111.9 | W401 A402 F433 L435 | W401-S410 WeakPolarHBondContact CB-OG 3.48Å; A402-S410 PolarHBondContact N-OG 2.95Å; A402-S410 PolarHBondContact O-N 3.24Å; S410-F433 WeakPolarHBondContact OG-CD1 3.13Å; S410-L435 VanDerWaalsContact N-CD2 3.35Å |
| 411 | L | 76 | Confident | 88 | Confident | 125 Ų | 125 | 53.5 Ų | 53.5 | 65% | 0.654 | 28% | 0.279 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 146.6 | 159.3 | -60.8 | 177.9 | 0 | 0 | 0 | 110.2 | Y413 | L411-Y413 HydrophobicContact CB-CE1 4.4Š|
| 412 | K | 84 | Confident | 87.7 | Confident | 108 Ų | 108 | 55.9 Ų | 55.9 | 47% | 0.47 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -81.8 | 131.1 | 169.6 | -70.1 | -174.4 | 173.9 | -172.9 | 0 | 109.5 | E372 V400 W401 | E372-K412 IonicContact OE1-NZ 2.7Å; E372-K412 PolarHBondContact OE1-NZ 2.75Å; V400-K412 WeakPolarHBondContact O-CA 3.4Å; W401-K412 HydrophobicContact CB-CG 4Å; W401-K412 HydrophobicContact CD2-CD 4.39Å; W401-K412 HydrophobicContact CD2-CG 4.04Å; W401-K412 HydrophobicContact CE3-CD 4Å; W401-K412 HydrophobicContact CE3-CG 3.91Å; W401-K412 HydrophobicContact CG-CG 4.12Å; W401-K412 HydrophobicContact CZ3-CD 4.32Å |
| 413 | Y | 86.8 | Confident | 87.2 | Confident | 68 Ų | 68 | 56 Ų | 56 | 27% | 0.267 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 146.8 | 174.3 | -61.8 | -58.5 | 0 | 0 | 0 | 110.9 | R399 V400 L411 I425 L431 F433 | R399-Y413 CarbonylContact C-O 3.53Å; R399-Y413 WeakPolarHBondContact CA-O 3.21Å; V400-Y413 PolarHBondContact N-O 2.93Å; V400-Y413 PolarHBondContact O-N 3Å; L411-Y413 HydrophobicContact CB-CE1 4.4Å; Y413-I425 HydrophobicContact CD1-CD1 4.29Å; Y413-I425 HydrophobicContact CD1-CG2 4.42Å; Y413-L431 HydrophobicContact CD2-CD1 3.69Å; Y413-L431 HydrophobicContact CD2-CD2 4.09Å; Y413-L431 HydrophobicContact CD2-CG 4.17Å; Y413-L431 HydrophobicContact CE2-CD1 4.04Å; Y413-L431 HydrophobicContact CG-CD1 4.22Å; Y413-F433 HydrophobicContact CD2-CD1 4.11Å; Y413-F433 AromaticContact CD2-CE1 3.61Å; Y413-F433 HydrophobicContact CD2-CE1 3.61Å; Y413-F433 HydrophobicContact CD2-CZ 4.5Å; Y413-F433 AromaticContact CE2-CD1 3.92Å; Y413-F433 HydrophobicContact CE2-CD1 3.92Å; Y413-F433 AromaticContact CE2-CE1 3.92Å; Y413-F433 HydrophobicContact CE2-CE1 3.92Å |
| 414 | E | 89 | Confident | 86.7 | Confident | 92 Ų | 92 | 58.2 Ų | 58.2 | 43% | 0.43 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 125.3 | 175.6 | -72.5 | -177.9 | 176.5 | 0 | 0 | 110.7 | V397 Y398 R399 I425 | V397-E414 HydrophobicContact CG1-CB 4.07Å; Y398-E414 WeakPolarHBondContact O-CA 3.23Å; R399-E414 HydrophobicContact CG-CG 3.62Å; R399-E414 IonicContact CZ-OE1 3.51Å; R399-E414 IonicContact NE-OE1 2.75Å; R399-E414 PolarHBondContact NE-OE1 3.44Å; R399-E414 IonicContact NH2-OE1 3.43Å; R399-E414 PolarHBondContact NH2-OE1 2.8Å; E414-I425 VanDerWaalsContact O-CD1 3.23Å; E414-I425 WeakPolarHBondContact O-CD1 3.4Å |
| 415 | V | 90.3 | Very high | 85.9 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 123.3 | -173.9 | 177.4 | 0 | 0 | 0 | 0 | 109.7 | L351 V397 Y398 V400 A417 L420 V423 L431 | L351-V415 HydrophobicContact CD1-CG1 4.32Å; L351-V415 HydrophobicContact CD2-CG1 4.45Å; L351-V415 HydrophobicContact CD2-CG2 4.43Å; V397-V415 WeakPolarHBondContact CA-O 3.32Å; Y398-V415 PolarHBondContact N-O 3.39Å; Y398-V415 PolarHBondContact O-N 3.39Å; V400-V415 HydrophobicContact CG2-CG2 3.7Å; V415-A417 PolarHBondContact O-N 3.46Å; V415-L420 HydrophobicContact CG1-CD2 3.96Å; V415-L420 HydrophobicContact CG1-CG 4.4Å; V415-V423 HydrophobicContact CG2-CG1 4.47Å; V415-L431 HydrophobicContact CG2-CD2 3.98Å |
| 416 | N | 91.7 | Very high | 85.7 | Confident | 53 Ų | 53 | 54.5 Ų | 54.5 | 28% | 0.283 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 109 | 174.7 | -173.2 | -14.9 | 0 | 0 | 0 | 110.3 | G396 V397 S418 L419 | G396-N416 CarbonylContact O-C 3.6Å; G396-N416 PolarHBondContact O-OD1 3.25Å; V397-N416 HydrophobicContact CG2-CB 4.09Å; N416-S418 PolarHBondContact O-N 3.28Å; N416-S418 WeakPolarHBondContact OD1-CB 3.14Å; N416-S418 PolarHBondContact OD1-N 2.84Å; N416-L419 HydrophobicContact CB-CB 4.43Å; N416-L419 HydrophobicContact CB-CD1 4.07Å; N416-L419 HydrophobicContact CB-CG 4.12Å; N416-L419 PolarHBondContact O-N 3.14Å |
| 417 | A | 91 | Very high | 85.5 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.008 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -63.6 | -26.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L391 P392 G396 Y398 V415 L419 L420 | L391-A417 HydrophobicContact CB-CB 4.09Å; P392-A417 WeakPolarHBondContact O-CB 3.28Å; G396-A417 PolarHBondContact O-N 3.46Å; Y398-A417 HydrophobicContact CD2-CB 3.81Å; Y398-A417 HydrophobicContact CE2-CB 3.65Å; V415-A417 PolarHBondContact O-N 3.46Å; A417-L419 PolarHBondContact O-N 3.27Å; A417-L420 HydrophobicContact CB-CD1 4.28Å; A417-L420 PolarHBondContact O-N 2.86Å |
| 418 | S | 88.6 | Confident | 85.4 | Confident | 67 Ų | 67 | 57.1 Ų | 57.1 | 47% | 0.469 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -72 | -8.2 | 174.9 | -51.1 | 0 | 0 | 0 | 0 | 113.6 | P393 N416 | P393-S418 WeakPolarHBondContact O-CA 3.17Å; P393-S418 WeakPolarHBondContact O-CB 3.19Å; P393-S418 PolarHBondContact O-OG 2.83Å; N416-S418 PolarHBondContact O-N 3.28Å; N416-S418 WeakPolarHBondContact OD1-CB 3.14Å; N416-S418 PolarHBondContact OD1-N 2.84Å |
| 419 | L | 89.1 | Confident | 85.4 | Confident | 90 Ų | 90 | 56.9 Ų | 56.9 | 47% | 0.471 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -107.2 | -5.9 | 174.4 | -59.8 | -178.5 | 0 | 0 | 0 | 113.1 | N416 A417 Y422 | N416-L419 HydrophobicContact CB-CB 4.43Å; N416-L419 HydrophobicContact CB-CD1 4.07Å; N416-L419 HydrophobicContact CB-CG 4.12Å; N416-L419 PolarHBondContact O-N 3.14Å; A417-L419 PolarHBondContact O-N 3.27Å; L419-Y422 WeakPolarHBondContact O-CB 3.31Å; L419-Y422 PolarHBondContact O-N 2.85Å |
| 420 | L | 90.4 | Very high | 85.5 | Confident | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.063 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 139.9 | 179.9 | -73.5 | 174.7 | 0 | 0 | 0 | 110.8 | R349 L351 L391 V415 A417 V423 | R349-L420 HydrophobicContact CG-CB 4.02Å; R349-L420 WeakPolarHBondContact O-CB 3.18Å; L351-L420 HydrophobicContact CB-CD1 4.13Å; L351-L420 HydrophobicContact CB-CD2 4.04Å; L351-L420 HydrophobicContact CD1-CD2 4.08Å; L391-L420 HydrophobicContact CB-CD1 4.18Å; L391-L420 HydrophobicContact CD1-CD1 4.1Å; V415-L420 HydrophobicContact CG1-CD2 3.96Å; V415-L420 HydrophobicContact CG1-CG 4.4Å; A417-L420 HydrophobicContact CB-CD1 4.28Å; A417-L420 PolarHBondContact O-N 2.86Å; L420-V423 HydrophobicContact CD2-CG2 4.29Å |
| 421 | P | 87.6 | Confident | 85.8 | Confident | 6 Ų | 6 | 55.3 Ų | 55.3 | 4% | 0.039 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -81.5 | -2.9 | 15.4 | 32.3 | -38.3 | 0 | 0 | 0 | 116.5 | N30 E429 | N30-P421 HydrophobicContact CB-CG 4.18Å; P421-E429 HydrophobicContact CB-CG 4.24Å; P421-E429 HydrophobicContact CG-CG 4.29Å; P421-E429 WeakPolarHBondContact O-CA 3.45Å |
| 422 | Y | 88.1 | Confident | 86.6 | Confident | 83 Ų | 83 | 52.4 Ų | 52.4 | 33% | 0.325 | 27% | 0.274 | S | S | . | . | trans | -80.5 | 132.3 | -176.4 | 172.8 | -95 | 0 | 0 | 0 | 113 | L419 N427 | L419-Y422 WeakPolarHBondContact O-CB 3.31Å; L419-Y422 PolarHBondContact O-N 2.85Å; Y422-N427 PolarHBondContact OH-OD1 3.21Å; Y422-N427 VanDerWaalsContact OH-OD1 3.06Å | ||
| 423 | V | 86.4 | Confident | 87 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -111.3 | 117 | 178.8 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | L351 V415 L420 I425 T426 N427 S428 L431 | L351-V423 HydrophobicContact CD1-CG2 3.68Å; V415-V423 HydrophobicContact CG2-CG1 4.47Å; L420-V423 HydrophobicContact CD2-CG2 4.29Å; V423-I425 PolarHBondContact O-N 3.22Å; V423-T426 PolarHBondContact O-N 3.09Å; V423-N427 PolarHBondContact O-N 3.47Å; V423-S428 PolarHBondContact N-O 3.3Å; V423-S428 PolarHBondContact O-N 3.2Å; V423-L431 HydrophobicContact CG1-CD1 4.48Å |
| 424 | S | 80.7 | Confident | 86.9 | Confident | 69 Ų | 69 | 47.3 Ų | 47.3 | 48% | 0.483 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -38.1 | -176 | 50.4 | 0 | 0 | 0 | 0 | 114 | T426 N427 | S424-T426 VanDerWaalsContact C-N 3.32Å; S424-T426 PolarHBondContact O-N 3.16Å; S424-N427 PolarHBondContact O-N 3.18Å |
| 425 | I | 75.5 | Confident | 86.9 | Confident | 92 Ų | 92 | 43 Ų | 43 | 47% | 0.472 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -35.5 | -177.1 | -65.1 | 173.3 | 0 | 0 | 0 | 111.8 | Y413 E414 V423 | Y413-I425 HydrophobicContact CD1-CD1 4.29Å; Y413-I425 HydrophobicContact CD1-CG2 4.42Å; E414-I425 VanDerWaalsContact O-CD1 3.23Å; E414-I425 WeakPolarHBondContact O-CD1 3.4Å; V423-I425 PolarHBondContact O-N 3.22Å |
| 426 | T | 79.5 | Confident | 86.4 | Confident | 56 Ų | 56 | 46.8 Ų | 46.8 | 34% | 0.344 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -2.9 | -179.8 | 61.2 | 0 | 0 | 0 | 0 | 113.4 | V423 S424 S428 Q430 L431 | V423-T426 PolarHBondContact O-N 3.09Å; S424-T426 VanDerWaalsContact C-N 3.32Å; S424-T426 PolarHBondContact O-N 3.16Å; T426-S428 PolarHBondContact O-N 2.86Å; T426-S428 PolarHBondContact OG1-OG 2.92Å; T426-Q430 WeakPolarHBondContact CB-O 3.45Å; T426-Q430 PolarHBondContact OG1-O 2.84Å; T426-L431 HydrophobicContact CG2-CD1 3.78Å |
| 427 | N | 79.6 | Confident | 85.9 | Confident | 126 Ų | 126 | 46.7 Ų | 46.7 | 67% | 0.674 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 39.8 | -174.3 | -170.8 | 27.1 | 0 | 0 | 0 | 112.7 | Y422 V423 S424 | Y422-N427 PolarHBondContact OH-OD1 3.21Å; Y422-N427 VanDerWaalsContact OH-OD1 3.06Å; V423-N427 PolarHBondContact O-N 3.47Å; S424-N427 PolarHBondContact O-N 3.18Å |
| 428 | S | 83.4 | Confident | 85.3 | Confident | 32 Ų | 32 | 48.6 Ų | 48.6 | 22% | 0.224 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -155.3 | 176 | -171.5 | 75.8 | 0 | 0 | 0 | 0 | 112.9 | V423 T426 Q430 | V423-S428 PolarHBondContact N-O 3.3Å; V423-S428 PolarHBondContact O-N 3.2Å; T426-S428 PolarHBondContact O-N 2.86Å; T426-S428 PolarHBondContact OG1-OG 2.92Å; S428-Q430 PolarHBondContact O-N 2.81Å; S428-Q430 PolarHBondContact OG-N 2.87Å; S428-Q430 VanDerWaalsContact OG-N 3.16Å; S428-Q430 PolarHBondContact OG-O 3.01Å |
| 429 | E | 84 | Confident | 84.4 | Confident | 13 Ų | 13 | 49.2 Ų | 49.2 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -83.7 | 17.5 | 170.3 | -64.7 | -172.4 | 153.6 | 0 | 0 | 113.3 | N27 V28 S29 N30 R352 P421 | N27-E429 VanDerWaalsContact C-OE1 3.27Å; N27-E429 WeakPolarHBondContact CA-OE1 3.42Å; V28-E429 PolarHBondContact N-OE1 3.39Å; S29-E429 WeakPolarHBondContact CB-OE1 3.43Å; S29-E429 PolarHBondContact N-OE1 2.65Å; S29-E429 VanDerWaalsContact N-OE1 3.1Å; S29-E429 PolarHBondContact N-OE2 3.48Å; N30-E429 PolarHBondContact N-OE1 3.3Å; N30-E429 VanDerWaalsContact N-OE1 3.09Å; R352-E429 VanDerWaalsContact CG-O 3.28Å; R352-E429 WeakPolarHBondContact CG-O 3.46Å; R352-E429 IonicContact CZ-OE2 2.73Å; R352-E429 PolarHBondContact NE-O 3.02Å; R352-E429 IonicContact NH2-OE2 3.62Å; R352-E429 PolarHBondContact NH2-OE2 2.98Å; P421-E429 HydrophobicContact CB-CG 4.24Å; P421-E429 HydrophobicContact CG-CG 4.29Å; P421-E429 WeakPolarHBondContact O-CA 3.45Å |
| 430 | Q | 88.1 | Confident | 83.4 | Confident | 65 Ų | 65 | 52.3 Ų | 52.3 | 30% | 0.304 | 28% | 0.275 | S | S | . | . | trans | -140 | 138.9 | -169.4 | -162.3 | 176.1 | -47.8 | 0 | 0 | 113.2 | R352 T426 S428 N432 | R352-Q430 CarbonylContact O-C 3.53Å; R352-Q430 WeakPolarHBondContact O-CA 3.44Å; T426-Q430 WeakPolarHBondContact CB-O 3.45Å; T426-Q430 PolarHBondContact OG1-O 2.84Å; S428-Q430 PolarHBondContact O-N 2.81Å; S428-Q430 PolarHBondContact OG-N 2.87Å; S428-Q430 VanDerWaalsContact OG-N 3.16Å; S428-Q430 PolarHBondContact OG-O 3.01Å; Q430-N432 PolarHBondContact NE2-ND2 2.98Å; Q430-N432 PolarHBondContact NE2-OD1 3.24Å | ||
| 431 | L | 91.8 | Very high | 82.4 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | trans | -129.6 | 107.9 | 175.2 | -177.4 | 62.4 | 0 | 0 | 0 | 111 | L351 R352 G353 Y387 V400 Y413 V415 V423 T426 F433 | L351-L431 HydrophobicContact CD1-CB 4.08Å; L351-L431 HydrophobicContact CD1-CD2 4.25Å; L351-L431 HydrophobicContact CD2-CD2 4.49Å; R352-L431 PolarHBondContact O-N 2.87Å; G353-L431 WeakPolarHBondContact CA-O 3.32Å; Y387-L431 PolarHBondContact OH-O 2.83Å; V400-L431 HydrophobicContact CG2-CD2 3.72Å; Y413-L431 HydrophobicContact CD2-CD1 3.69Å; Y413-L431 HydrophobicContact CD2-CD2 4.09Å; Y413-L431 HydrophobicContact CD2-CG 4.17Å; Y413-L431 HydrophobicContact CE2-CD1 4.04Å; Y413-L431 HydrophobicContact CG-CD1 4.22Å; V415-L431 HydrophobicContact CG2-CD2 3.98Å; V423-L431 HydrophobicContact CG1-CD1 4.48Å; T426-L431 HydrophobicContact CG2-CD1 3.78Å; L431-F433 HydrophobicContact CD2-CE1 4.49Å; L431-F433 HydrophobicContact CD2-CZ 4.02Å; L431-F433 HydrophobicContact CG-CZ 4.31Å | ||
| 432 | N | 92.2 | Very high | 81.9 | Confident | 64 Ų | 64 | 57.2 Ų | 57.2 | 34% | 0.342 | 30% | 0.301 | S | S | . | . | trans | -94 | 145.1 | 179.1 | -66.5 | -14.4 | 0 | 0 | 0 | 111.9 | F354 F356 Q430 | F354-N432 PolarHBondContact N-OD1 3.43Å; F354-N432 CarbonylContact O-C 3.58Å; F354-N432 WeakPolarHBondContact O-CA 3.18Å; F356-N432 HydrophobicContact CE2-CB 4.34Å; Q430-N432 PolarHBondContact NE2-ND2 2.98Å; Q430-N432 PolarHBondContact NE2-OD1 3.24Å | ||
| 433 | F | 92.4 | Very high | 81.4 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 154.6 | 175.9 | -63.3 | -74.8 | 0 | 0 | 0 | 111.5 | F354 V355 F356 I369 Y387 V400 A402 S410 Y413 L431 | F354-F433 PolarHBondContact O-N 3.33Å; V355-F433 HydrophobicContact CG1-CB 4.23Å; V355-F433 HydrophobicContact CG2-CB 4.33Å; V355-F433 HydrophobicContact CG2-CD2 4.31Å; F356-F433 PolarHBondContact N-O 3.41Å; I369-F433 HydrophobicContact CD1-CD2 4.31Å; I369-F433 HydrophobicContact CD1-CE2 4.23Å; Y387-F433 HydrophobicContact CE1-CD2 4Å; Y387-F433 AromaticContact CE1-CE2 3.92Å; Y387-F433 HydrophobicContact CE1-CE2 3.92Å; Y387-F433 AromaticContact CZ-CE2 3.76Å; Y387-F433 WeakPolarHBondContact OH-CE2 3.24Å; V400-F433 HydrophobicContact CG2-CZ 4.22Å; A402-F433 HydrophobicContact CB-CB 3.74Å; A402-F433 HydrophobicContact CB-CD1 4.13Å; A402-F433 HydrophobicContact CB-CD2 3.66Å; A402-F433 HydrophobicContact CB-CE2 4.23Å; A402-F433 HydrophobicContact CB-CG 3.58Å; S410-F433 WeakPolarHBondContact OG-CD1 3.13Å; Y413-F433 HydrophobicContact CD2-CD1 4.11Å; Y413-F433 AromaticContact CD2-CE1 3.61Å; Y413-F433 HydrophobicContact CD2-CE1 3.61Å; Y413-F433 HydrophobicContact CD2-CZ 4.5Å; Y413-F433 AromaticContact CE2-CD1 3.92Å; Y413-F433 HydrophobicContact CE2-CD1 3.92Å; Y413-F433 AromaticContact CE2-CE1 3.92Å; Y413-F433 HydrophobicContact CE2-CE1 3.92Å; L431-F433 HydrophobicContact CD2-CE1 4.49Å; L431-F433 HydrophobicContact CD2-CZ 4.02Å; L431-F433 HydrophobicContact CG-CZ 4.31Å |
| 434 | T | 86.3 | Confident | 81 | Confident | 67 Ų | 67 | 59.6 Ų | 59.6 | 41% | 0.411 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 128.4 | 173.9 | -60.9 | 0 | 0 | 0 | 0 | 109.2 | F356 G358 | F356-T434 CarbonylContact O-C 3.56Å; F356-T434 VanDerWaalsContact O-CA 3.29Å; F356-T434 WeakPolarHBondContact O-CA 3.47Å; G358-T434 VanDerWaalsContact CA-CG2 3.46Å |
| 435 | L | 88 | Confident | 81.1 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 143.3 | -176.1 | -50.9 | -178.9 | 0 | 0 | 0 | 110.2 | V355 F356 G358 I364 A402 K404 Y407 S410 | V355-L435 HydrophobicContact CG1-CD1 3.74Å; V355-L435 HydrophobicContact CG1-CG 3.9Å; F356-L435 PolarHBondContact O-N 2.83Å; G358-L435 PolarHBondContact N-O 3.27Å; I364-L435 HydrophobicContact CD1-CB 3.92Å; I364-L435 HydrophobicContact CD1-CD1 3.98Å; I364-L435 HydrophobicContact CD1-CG 4.2Å; A402-L435 HydrophobicContact CB-CD2 4.31Å; A402-L435 WeakPolarHBondContact O-CD2 3.48Å; K404-L435 HydrophobicContact CB-CD1 3.63Å; Y407-L435 HydrophobicContact CD1-CB 3.73Å; Y407-L435 HydrophobicContact CG-CB 4.09Å; S410-L435 VanDerWaalsContact N-CD2 3.35Å |
| 436 | W | 80.5 | Confident | 81.6 | Confident | 82 Ų | 82 | 52.6 Ų | 52.6 | 31% | 0.311 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 139.7 | 177.9 | -69.2 | 94.6 | 0 | 0 | 0 | 110.8 | G358 Y407 F408 D438 P459 | G358-W436 WeakPolarHBondContact O-CH2 3.4Å; G358-W436 WeakPolarHBondContact O-CZ3 3.09Å; Y407-W436 CarbonylContact C-O 3.56Å; Y407-W436 WeakPolarHBondContact CA-O 3.3Å; Y407-W436 WeakPolarHBondContact CB-O 3.22Å; Y407-W436 VanDerWaalsContact CD1-C 3.45Å; F408-W436 HydrophobicContact CD2-CB 4.04Å; F408-W436 WeakPolarHBondContact CD2-O 3.4Å; F408-W436 PolarHBondContact N-O 2.95Å; W436-D438 PolarHBondContact O-N 3.47Å; W436-P459 HydrophobicContact CE3-CG 4.41Å |
| 437 | P | 80 | Confident | 81.8 | Confident | 50 Ų | 50 | 53.6 Ų | 53.6 | 33% | 0.325 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 125.2 | 178.9 | -25.7 | 34.5 | 0 | 0 | 0 | 112.9 | Y407 | Y407-P437 HydrophobicContact CD1-CG 4.29Å; Y407-P437 HydrophobicContact CE1-CB 4.46Å; Y407-P437 HydrophobicContact CE1-CG 3.86Å |
| 438 | D | 78.2 | Confident | 81.9 | Confident | 42 Ų | 42 | 54.9 Ų | 54.9 | 23% | 0.225 | 29% | 0.287 | C | S | . | . | trans | -90.6 | 101.8 | 169.8 | -171.7 | -15.9 | 0 | 0 | 0 | 108 | G406 F408 W436 R457 | G406-D438 PolarHBondContact O-N 2.94Å; F408-D438 HydrophobicContact CD2-CB 4.12Å; F408-D438 HydrophobicContact CE2-CB 4.02Å; F408-D438 HydrophobicContact CG-CB 4.44Å; F408-D438 HydrophobicContact CZ-CB 4.27Å; W436-D438 PolarHBondContact O-N 3.47Å; D438-R457 IonicContact OD1-CZ 3.68Å; D438-R457 IonicContact OD1-NH1 3.7Å; D438-R457 PolarHBondContact OD1-NH1 2.85Å; D438-R457 IonicContact OD2-CZ 3.54Å; D438-R457 IonicContact OD2-NH1 2.79Å; D438-R457 PolarHBondContact OD2-NH1 3.37Å; D438-R457 IonicContact OD2-NH2 3.78Å; D438-R457 PolarHBondContact OD2-NH2 3.42Å | ||
| 439 | N | 70.7 | Confident | 82 | Confident | 80 Ų | 80 | 56.3 Ų | 56.3 | 43% | 0.428 | 29% | 0.292 | S | S | . | . | trans | -85.8 | 133.8 | -179.4 | 77.2 | 72.6 | 0 | 0 | 0 | 111.2 | L441 T442 A443 | N439-L441 PolarHBondContact O-N 3.39Å; N439-L441 VanDerWaalsContact O-N 3.13Å; N439-L441 PolarHBondContact OD1-N 2.92Å; N439-T442 PolarHBondContact O-N 3.28Å; N439-T442 VanDerWaalsContact O-N 3.12Å; N439-T442 PolarHBondContact O-OG1 2.85Å; N439-T442 WeakPolarHBondContact OD1-CG2 3.25Å; N439-T442 PolarHBondContact OD1-N 3.16Å; N439-T442 PolarHBondContact OD1-OG1 2.82Å; N439-A443 PolarHBondContact O-N 3.09Å | ||
| 440 | Q | 68.6 | Low | 82.2 | Confident | 155 Ų | 155 | 55.7 Ų | 55.7 | 72% | 0.724 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -54.9 | -34.9 | -176.3 | -71.3 | 178.2 | -29.7 | 0 | 0 | 113.1 | T442 A443 E444 | Q440-T442 PolarHBondContact O-N 3.35Å; Q440-A443 PolarHBondContact O-N 2.93Å; Q440-E444 WeakPolarHBondContact O-CB 3.49Å; Q440-E444 VanDerWaalsContact O-CG 3.28Å; Q440-E444 WeakPolarHBondContact O-CG 3.43Å; Q440-E444 PolarHBondContact O-N 3.22Å |
| 441 | L | 69.5 | Low | 82.3 | Confident | 114 Ų | 114 | 55.8 Ų | 55.8 | 60% | 0.597 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -60.9 | -43.7 | -179.8 | -167.7 | 75.5 | 0 | 0 | 0 | 112.3 | N439 W445 | N439-L441 PolarHBondContact O-N 3.39Å; N439-L441 VanDerWaalsContact O-N 3.13Å; N439-L441 PolarHBondContact OD1-N 2.92Å; L441-W445 PolarHBondContact O-N 2.65Å |
| 442 | T | 75.5 | Confident | 81.9 | Confident | 7 Ų | 7 | 59.2 Ų | 59.2 | 4% | 0.043 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -72.3 | -37.4 | 175.9 | 59.5 | 0 | 0 | 0 | 0 | 112.6 | N439 Q440 W445 S446 R457 P824 | N439-T442 PolarHBondContact O-N 3.28Å; N439-T442 VanDerWaalsContact O-N 3.12Å; N439-T442 PolarHBondContact O-OG1 2.85Å; N439-T442 WeakPolarHBondContact OD1-CG2 3.25Å; N439-T442 PolarHBondContact OD1-N 3.16Å; N439-T442 PolarHBondContact OD1-OG1 2.82Å; Q440-T442 PolarHBondContact O-N 3.35Å; T442-W445 HydrophobicContact CG2-CZ2 4.37Å; T442-S446 WeakPolarHBondContact O-CB 3.37Å; T442-S446 PolarHBondContact O-N 3.21Å; T442-R457 VanDerWaalsContact O-CD 3.28Å; T442-R457 WeakPolarHBondContact O-CD 3.23Å; T442-P824 HydrophobicContact CG2-CB 4.23Å |
| 443 | A | 77.8 | Confident | 81.5 | Confident | 26 Ų | 26 | 57.1 Ų | 57.1 | 22% | 0.215 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.2 | -40.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | N439 Q440 S447 | N439-A443 PolarHBondContact O-N 3.09Å; Q440-A443 PolarHBondContact O-N 2.93Å; A443-S447 WeakPolarHBondContact O-CB 2.78Å; A443-S447 PolarHBondContact O-N 3.42Å |
| 444 | E | 78.5 | Confident | 80.9 | Confident | 108 Ų | 108 | 60.2 Ų | 60.2 | 51% | 0.505 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.6 | -58.2 | 176.9 | -80 | 172.3 | -167.8 | 0 | 0 | 112 | Q440 S446 S447 Q448 | Q440-E444 WeakPolarHBondContact O-CB 3.49Å; Q440-E444 VanDerWaalsContact O-CG 3.28Å; Q440-E444 WeakPolarHBondContact O-CG 3.43Å; Q440-E444 PolarHBondContact O-N 3.22Å; E444-S446 PolarHBondContact O-N 2.82Å; E444-S447 PolarHBondContact O-N 2.9Å; E444-Q448 VanDerWaalsContact O-CG 3.3Å; E444-Q448 WeakPolarHBondContact O-CG 3.46Å; E444-Q448 PolarHBondContact O-N 3.47Å |
| 445 | W | 82.1 | Confident | 80.6 | Confident | 14 Ų | 14 | 61.1 Ų | 61.1 | 5% | 0.053 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.6 | -34.7 | -177.8 | 70.9 | -114.6 | 0 | 0 | 0 | 112.3 | L441 T442 Q448 L449 D450 P824 E825 H828 | L441-W445 PolarHBondContact O-N 2.65Å; T442-W445 HydrophobicContact CG2-CZ2 4.37Å; W445-Q448 PolarHBondContact O-N 3.5Å; W445-L449 WeakPolarHBondContact O-CB 3.47Å; W445-L449 PolarHBondContact O-N 2.85Å; W445-D450 HydrophobicContact CZ3-CB 4.13Å; W445-P824 WeakPolarHBondContact CH2-O 3.41Å; W445-P824 HydrophobicContact CZ2-CB 3.97Å; W445-P824 VanDerWaalsContact CZ2-O 3.31Å; W445-P824 WeakPolarHBondContact CZ2-O 3.33Å; W445-E825 PolarHBondContact NE1-OE1 3.49Å; W445-H828 AromaticContact CD1-CE1 3.53Å; W445-H828 AromaticContact CD1-ND1 3.41Å; W445-H828 HydrophobicContact CD2-CB 3.82Å; W445-H828 AromaticContact CD2-CD2 3.78Å; W445-H828 AromaticContact CD2-CG 3.5Å; W445-H828 AromaticContact CD2-ND1 3.67Å; W445-H828 AromaticContact CE2-CG 3.74Å; W445-H828 AromaticContact CE2-ND1 3.75Å; W445-H828 HydrophobicContact CE3-CB 3.84Å; W445-H828 AromaticContact CE3-CD2 3.81Å; W445-H828 AromaticContact CE3-CG 3.77Å; W445-H828 AromaticContact CG-CD2 3.94Å; W445-H828 AromaticContact CG-CE1 3.47Å; W445-H828 VanDerWaalsContact CG-CE1 3.47Å; W445-H828 AromaticContact CG-CG 3.84Å; W445-H828 AromaticContact CG-ND1 3.55Å; W445-H828 AromaticContact CG-NE2 3.75Å; W445-H828 HydrophobicContact CH2-CB 3.87Å; W445-H828 HydrophobicContact CZ2-CB 3.75Å; W445-H828 HydrophobicContact CZ3-CB 3.89Å; W445-H828 AromaticContact NE1-CG 3.95Å; W445-H828 AromaticContact NE1-ND1 3.46Å; W445-H828 PolarHBondContact NE1-ND1 3.26Å |
| 446 | S | 87 | Confident | 80.6 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.4 | -36.7 | 177.8 | -177.5 | 0 | 0 | 0 | 0 | 111.7 | T442 E444 Q448 D450 Y451 N452 N453 R457 | T442-S446 WeakPolarHBondContact O-CB 3.37Å; T442-S446 PolarHBondContact O-N 3.21Å; E444-S446 PolarHBondContact O-N 2.82Å; S446-Q448 PolarHBondContact O-N 3.22Å; S446-D450 CarbonylContact O-C 3.33Å; S446-D450 WeakPolarHBondContact O-CA 3.47Å; S446-D450 PolarHBondContact O-N 2.88Å; S446-Y451 PolarHBondContact O-N 3.08Å; S446-N452 PolarHBondContact O-N 2.9Å; S446-N452 WeakPolarHBondContact OG-CA 3.48Å; S446-N453 PolarHBondContact OG-N 3.09Å; S446-R457 VanDerWaalsContact CB-CD 3.41Å |
| 447 | S | 84.4 | Confident | 80.8 | Confident | 78 Ų | 78 | 57.7 Ų | 57.7 | 55% | 0.545 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68.2 | -23.1 | 173.3 | -170.8 | 0 | 0 | 0 | 0 | 113.1 | A443 E444 | A443-S447 WeakPolarHBondContact O-CB 2.78Å; A443-S447 PolarHBondContact O-N 3.42Å; E444-S447 PolarHBondContact O-N 2.9Å |
| 448 | Q | 81.9 | Confident | 80.8 | Confident | 152 Ų | 152 | 57.3 Ų | 57.3 | 71% | 0.71 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -89.6 | -33.6 | 177.9 | -70.5 | 170.4 | 14.6 | 0 | 0 | 113.3 | E444 W445 S446 | E444-Q448 VanDerWaalsContact O-CG 3.3Å; E444-Q448 WeakPolarHBondContact O-CG 3.46Å; E444-Q448 PolarHBondContact O-N 3.47Å; W445-Q448 PolarHBondContact O-N 3.5Å; S446-Q448 PolarHBondContact O-N 3.22Å |
| 449 | L | 84.5 | Confident | 80.8 | Confident | 62 Ų | 62 | 56.8 Ų | 56.8 | 33% | 0.325 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -124.4 | -21.3 | -167.4 | -61 | 174.8 | 0 | 0 | 0 | 114.7 | W445 H582 L831 I832 | W445-L449 WeakPolarHBondContact O-CB 3.47Å; W445-L449 PolarHBondContact O-N 2.85Å; L449-H582 PolarHBondContact O-CE1 3.25Å; L449-L831 HydrophobicContact CB-CD2 4.36Å; L449-L831 WeakPolarHBondContact O-CD2 3.41Å; L449-I832 HydrophobicContact CD1-CD1 3.8Å; L449-I832 HydrophobicContact CD1-CG1 3.83Å |
| 450 | D | 87.7 | Confident | 80.9 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -134.6 | 30.8 | -169.4 | -164.4 | 34.7 | 0 | 0 | 0 | 112.7 | W445 S446 N452 N453 N456 H582 W827 L831 | W445-D450 HydrophobicContact CZ3-CB 4.13Å; S446-D450 CarbonylContact O-C 3.33Å; S446-D450 WeakPolarHBondContact O-CA 3.47Å; S446-D450 PolarHBondContact O-N 2.88Å; D450-N452 PolarHBondContact O-N 2.87Å; D450-N453 VanDerWaalsContact O-CB 3.3Å; D450-N453 WeakPolarHBondContact O-CB 3.33Å; D450-N453 PolarHBondContact O-N 2.74Å; D450-N456 PolarHBondContact OD1-ND2 3.2Å; D450-N456 WeakPolarHBondContact OD2-CB 3.36Å; D450-N456 PolarHBondContact OD2-ND2 3.24Å; D450-H582 WeakPolarHBondContact OD1-CB 3.46Å; D450-H582 IonicContact OD1-CE1 3.27Å; D450-H582 IonicContact OD1-CG 3.1Å; D450-H582 IonicContact OD1-ND1 3.69Å; D450-H582 PolarHBondContact OD1-ND1 3.28Å; D450-W827 PolarHBondContact OD2-NE1 3.24Å; D450-L831 HydrophobicContact CB-CD2 3.99Å |
| 451 | Y | 89.8 | Confident | 81.2 | Confident | 68 Ų | 68 | 50.9 Ų | 50.9 | 27% | 0.267 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 26.4 | 173.9 | -47.1 | -65.2 | 0 | 0 | 0 | 115.3 | S446 N453 H582 A589 S591 I594 | S446-Y451 PolarHBondContact O-N 3.08Å; Y451-N453 PolarHBondContact O-N 2.73Å; Y451-H582 AromaticContact CD2-ND1 3.96Å; Y451-H582 AromaticContact CE2-CE1 3.29Å; Y451-H582 WeakPolarHBondContact CE2-CE1 3.43Å; Y451-H582 AromaticContact CE2-ND1 3.63Å; Y451-H582 AromaticContact CE2-NE2 3.79Å; Y451-H582 AromaticContact CZ-CE1 3.99Å; Y451-A589 HydrophobicContact CD1-CB 4.28Å; Y451-S591 VanDerWaalsContact CE1-CB 3.46Å; Y451-S591 VanDerWaalsContact CE1-OG 3.29Å; Y451-S591 WeakPolarHBondContact CE1-OG 3.48Å; Y451-S591 WeakPolarHBondContact OH-CB 3.33Å; Y451-S591 PolarHBondContact OH-OG 3Å; Y451-I594 HydrophobicContact CE2-CG1 4.4Å; Y451-I594 VanDerWaalsContact OH-CG1 3.29Å; Y451-I594 WeakPolarHBondContact OH-CG1 3.47Å |
| 452 | N | 83.2 | Confident | 81.2 | Confident | 73 Ų | 73 | 46.2 Ų | 46.2 | 39% | 0.39 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 36.9 | -170.6 | -167.1 | 15.2 | 0 | 0 | 0 | 113.2 | S446 D450 T454 R457 | S446-N452 PolarHBondContact O-N 2.9Å; S446-N452 WeakPolarHBondContact OG-CA 3.48Å; D450-N452 PolarHBondContact O-N 2.87Å; N452-T454 PolarHBondContact O-N 3.5Å; N452-R457 PolarHBondContact OD1-NE 3.27Å; N452-R457 VanDerWaalsContact OD1-NE 3.15Å; N452-R457 PolarHBondContact OD1-NH2 2.79Å |
| 453 | N | 84 | Confident | 80.3 | Confident | 19 Ų | 19 | 51.5 Ų | 51.5 | 10% | 0.102 | 27% | 0.267 | C | S | . | . | trans | -66.2 | 99.7 | 179.3 | -169.7 | -54 | 0 | 0 | 0 | 110.6 | S446 D450 Y451 L455 N456 R457 S585 | S446-N453 PolarHBondContact OG-N 3.09Å; D450-N453 VanDerWaalsContact O-CB 3.3Å; D450-N453 WeakPolarHBondContact O-CB 3.33Å; D450-N453 PolarHBondContact O-N 2.74Å; Y451-N453 PolarHBondContact O-N 2.73Å; N453-L455 VanDerWaalsContact C-N 3.25Å; N453-L455 PolarHBondContact O-N 3.45Å; N453-L455 WeakPolarHBondContact OD1-CB 3.38Å; N453-L455 PolarHBondContact OD1-N 2.91Å; N453-N456 HydrophobicContact CB-CB 4.2Å; N453-N456 WeakPolarHBondContact O-CB 3.35Å; N453-N456 PolarHBondContact O-N 3.19Å; N453-N456 PolarHBondContact OD1-N 3.02Å; N453-R457 PolarHBondContact O-N 3.47Å; N453-S585 PolarHBondContact ND2-OG 3.02Å | ||
| 454 | T | 80.1 | Confident | 79 | Confident | 66 Ų | 66 | 55 Ų | 55 | 41% | 0.405 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57 | -37.1 | -177.2 | 51.7 | 0 | 0 | 0 | 0 | 112.6 | F408 N452 N456 R457 L458 | F408-T454 HydrophobicContact CE1-CG2 4.5Å; N452-T454 PolarHBondContact O-N 3.5Å; T454-N456 VanDerWaalsContact C-N 3.26Å; T454-N456 PolarHBondContact O-N 3.35Å; T454-R457 PolarHBondContact O-N 3.24Å; T454-L458 PolarHBondContact O-N 3.3Å |
| 455 | L | 81 | Confident | 77.6 | Confident | 87 Ų | 87 | 51.7 Ų | 51.7 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.1 | -26.3 | 178.7 | -56 | 180 | 0 | 0 | 0 | 112.9 | N453 L458 R581 | N453-L455 VanDerWaalsContact C-N 3.25Å; N453-L455 PolarHBondContact O-N 3.45Å; N453-L455 WeakPolarHBondContact OD1-CB 3.38Å; N453-L455 PolarHBondContact OD1-N 2.91Å; L455-L458 HydrophobicContact CD2-CD1 4.06Å; L455-R581 PolarHBondContact O-NH1 3.29Å |
| 456 | N | 86.9 | Confident | 76.8 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -81.5 | -21.4 | 171.8 | -70.4 | -3.9 | 0 | 0 | 0 | 112.1 | D450 N453 T454 R578 R581 W827 | D450-N456 PolarHBondContact OD1-ND2 3.2Å; D450-N456 WeakPolarHBondContact OD2-CB 3.36Å; D450-N456 PolarHBondContact OD2-ND2 3.24Å; N453-N456 HydrophobicContact CB-CB 4.2Å; N453-N456 WeakPolarHBondContact O-CB 3.35Å; N453-N456 PolarHBondContact O-N 3.19Å; N453-N456 PolarHBondContact OD1-N 3.02Å; T454-N456 VanDerWaalsContact C-N 3.26Å; T454-N456 PolarHBondContact O-N 3.35Å; N456-R578 PolarHBondContact ND2-O 2.53Å; N456-R578 PolarHBondContact O-NH1 3.44Å; N456-R578 WeakPolarHBondContact OD1-CG 3.38Å; N456-R581 WeakPolarHBondContact OD1-CD 3.36Å; N456-W827 PolarHBondContact ND2-NE1 2.92Å |
| 457 | R | 85.6 | Confident | 76.1 | Confident | 11 Ų | 11 | 54.5 Ų | 54.5 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -84.7 | -22.1 | 174 | -64.5 | -162.6 | -78.8 | 115.6 | -7.7 | 114.3 | F408 D438 T442 S446 N452 N453 T454 P824 | F408-R457 HydrophobicContact CE1-CB 4.17Å; F408-R457 VanDerWaalsContact CE1-NH1 3.32Å; F408-R457 HydrophobicContact CZ-CB 3.81Å; F408-R457 VanDerWaalsContact CZ-NH1 3.28Å; D438-R457 IonicContact OD1-CZ 3.68Å; D438-R457 IonicContact OD1-NH1 3.7Å; D438-R457 PolarHBondContact OD1-NH1 2.85Å; D438-R457 IonicContact OD2-CZ 3.54Å; D438-R457 IonicContact OD2-NH1 2.79Å; D438-R457 PolarHBondContact OD2-NH1 3.37Å; D438-R457 IonicContact OD2-NH2 3.78Å; D438-R457 PolarHBondContact OD2-NH2 3.42Å; T442-R457 VanDerWaalsContact O-CD 3.28Å; T442-R457 WeakPolarHBondContact O-CD 3.23Å; S446-R457 VanDerWaalsContact CB-CD 3.41Å; N452-R457 PolarHBondContact OD1-NE 3.27Å; N452-R457 VanDerWaalsContact OD1-NE 3.15Å; N452-R457 PolarHBondContact OD1-NH2 2.79Å; N453-R457 PolarHBondContact O-N 3.47Å; T454-R457 PolarHBondContact O-N 3.24Å; R457-P824 VanDerWaalsContact O-CG 3.29Å; R457-P824 WeakPolarHBondContact O-CG 3.46Å |
| 458 | L | 78.8 | Confident | 75.5 | Confident | 42 Ų | 42 | 53 Ų | 53 | 22% | 0.22 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -60.9 | 130.8 | 179.3 | -75.3 | 174 | 0 | 0 | 0 | 111.9 | F408 T454 L455 L460 R578 | F408-L458 HydrophobicContact CB-CD2 4.21Å; F408-L458 HydrophobicContact CD1-CD2 3.97Å; F408-L458 HydrophobicContact CD2-CD2 3.83Å; F408-L458 HydrophobicContact CE1-CD2 4.27Å; F408-L458 HydrophobicContact CE2-CD2 4.14Å; F408-L458 HydrophobicContact CG-CD2 3.74Å; F408-L458 HydrophobicContact CZ-CD2 4.35Å; T454-L458 PolarHBondContact O-N 3.3Å; L455-L458 HydrophobicContact CD2-CD1 4.06Å; L458-L460 PolarHBondContact O-N 3.21Å; L458-R578 PolarHBondContact O-NH2 3.15Å |
| 459 | P | 78.6 | Confident | 75.1 | Confident | 30 Ų | 30 | 49.7 Ų | 49.7 | 20% | 0.195 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -81.9 | 50 | 176.4 | 35.5 | -36.5 | 0 | 0 | 0 | 111.3 | W436 A820 | W436-P459 HydrophobicContact CE3-CG 4.41Å; P459-A820 CarbonylContact C-O 3.57Å; P459-A820 WeakPolarHBondContact CA-O 3.02Å; P459-A820 VanDerWaalsContact O-CB 3.23Å; P459-A820 WeakPolarHBondContact O-CB 3.27Å |
| 460 | L | 73.7 | Confident | 74.6 | Confident | 80 Ų | 80 | 47.7 Ų | 47.7 | 42% | 0.419 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -140.9 | 141.2 | -174.1 | -160.3 | 76.1 | 0 | 0 | 0 | 109.9 | L458 | L458-L460 PolarHBondContact O-N 3.21Š|
| 461 | F | 74 | Confident | 74.2 | Confident | 31 Ų | 31 | 47.7 Ų | 47.7 | 14% | 0.136 | 25% | 0.249 | C | C | . | . | trans | -70 | 159.2 | 163.7 | -68.2 | -82.3 | 0 | 0 | 0 | 110.3 | H463 A820 L823 | F461-H463 PolarHBondContact O-N 2.98Å; F461-A820 HydrophobicContact CD2-CB 4Å; F461-A820 HydrophobicContact CE2-CB 3.94Å; F461-L823 HydrophobicContact CD1-CD1 3.96Å; F461-L823 HydrophobicContact CD2-CD1 4.28Å; F461-L823 HydrophobicContact CE1-CD1 3.89Å; F461-L823 HydrophobicContact CE1-CD2 4.04Å; F461-L823 HydrophobicContact CE2-CD1 4.21Å; F461-L823 HydrophobicContact CG-CD1 4.16Å; F461-L823 HydrophobicContact CZ-CD1 4.02Å; F461-L823 HydrophobicContact CZ-CD2 4.19Å; F461-L823 HydrophobicContact CZ-CG 4.5Å | ||
| 462 | I | 71 | Confident | 73.7 | Confident | 16 Ų | 16 | 48.3 Ų | 48.3 | 8% | 0.082 | 25% | 0.253 | C | S | . | . | trans | -60.1 | 136.5 | 178.1 | -67.2 | 168.9 | 0 | 0 | 0 | 110.6 | Y467 T470 I577 | I462-Y467 HydrophobicContact CB-CE1 4.37Å; I462-Y467 HydrophobicContact CD1-CD1 4.13Å; I462-Y467 HydrophobicContact CD1-CE1 3.83Å; I462-T470 HydrophobicContact CD1-CG2 4.16Å; I462-T470 HydrophobicContact CG2-CG2 4.18Å; I462-T470 WeakPolarHBondContact CG2-OG1 3.46Å; I462-I577 HydrophobicContact CD1-CB 4.18Å; I462-I577 HydrophobicContact CD1-CG1 4.45Å; I462-I577 HydrophobicContact CD1-CG2 3.6Å | ||
| 463 | H | 56.6 | Low | 73.4 | Confident | 119 Ų | 119 | 47.9 Ų | 47.9 | 55% | 0.551 | 25% | 0.251 | S | S | * | . | trans | -75.5 | 179.5 | -170 | -163.1 | -101.8 | 0 | 0 | 0 | 112.9 | F461 S465 | F461-H463 PolarHBondContact O-N 2.98Å; H463-S465 CarbonylContact O-C 3.48Å; H463-S465 PolarHBondContact O-N 3.34Å; H463-S465 VanDerWaalsContact O-O 3.06Å | ||
| 464 | D | 49 | Very low | 73 | Confident | 99 Ų | 99 | 48.1 Ų | 48.1 | 53% | 0.529 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -56.4 | -16.4 | -174 | -81.6 | -63.8 | 0 | 0 | 0 | 116.6 | T466 K622 | D464-T466 VanDerWaalsContact C-N 3.32Å; D464-T466 PolarHBondContact O-N 3.22Å; D464-K622 IonicContact OD1-NZ 3.43Å; D464-K622 PolarHBondContact OD1-NZ 3.26Å; D464-K622 IonicContact OD2-NZ 2.61Å; D464-K622 PolarHBondContact OD2-NZ 2.86Å |
| 465 | S | 50.8 | Low | 72.7 | Confident | 38 Ų | 38 | 45.9 Ų | 45.9 | 27% | 0.266 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -61.4 | 93.9 | 159.2 | 52.8 | 0 | 0 | 0 | 0 | 109 | H463 E469 T470 | H463-S465 CarbonylContact O-C 3.48Å; H463-S465 PolarHBondContact O-N 3.34Å; H463-S465 VanDerWaalsContact O-O 3.06Å; S465-E469 VanDerWaalsContact CA-OE2 3.27Å; S465-E469 WeakPolarHBondContact CA-OE2 3.03Å; S465-E469 WeakPolarHBondContact CB-OE2 3.34Å; S465-T470 PolarHBondContact O-OG1 2.82Å |
| 466 | T | 63.7 | Low | 72.3 | Confident | 56 Ų | 56 | 46.5 Ų | 46.5 | 34% | 0.344 | 24% | 0.244 | S | C | . | . | trans | -44.9 | 158.9 | -168 | 58.7 | 0 | 0 | 0 | 0 | 113.9 | D464 D468 E469 T470 | D464-T466 VanDerWaalsContact C-N 3.32Å; D464-T466 PolarHBondContact O-N 3.22Å; T466-D468 CarbonylContact O-C 3.48Å; T466-D468 PolarHBondContact O-N 2.57Å; T466-E469 CarbonylContact O-C 3.57Å; T466-E469 WeakPolarHBondContact O-CA 3.21Å; T466-E469 PolarHBondContact O-N 3.26Å; T466-E469 PolarHBondContact OG1-N 3.15Å; T466-T470 PolarHBondContact O-N 2.82Å | ||
| 467 | Y | 73 | Confident | 71.5 | Confident | 17 Ų | 17 | 52.2 Ų | 52.2 | 7% | 0.067 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -52.7 | -31.8 | 174.4 | -75.7 | -76.3 | 0 | 0 | 0 | 112.8 | I462 I471 T573 I577 I614 L618 | I462-Y467 HydrophobicContact CB-CE1 4.37Å; I462-Y467 HydrophobicContact CD1-CD1 4.13Å; I462-Y467 HydrophobicContact CD1-CE1 3.83Å; Y467-I471 WeakPolarHBondContact O-CB 3.41Å; Y467-I471 VanDerWaalsContact O-CG1 3.27Å; Y467-I471 WeakPolarHBondContact O-CG1 3.21Å; Y467-I471 PolarHBondContact O-N 2.96Å; Y467-T573 HydrophobicContact CD1-CG2 4.08Å; Y467-T573 HydrophobicContact CE1-CG2 3.83Å; Y467-I577 HydrophobicContact CD1-CG1 4.09Å; Y467-I577 HydrophobicContact CE1-CG1 4.29Å; Y467-I614 HydrophobicContact CD2-CG2 3.85Å; Y467-I614 HydrophobicContact CE2-CG2 3.69Å; Y467-L618 HydrophobicContact CE2-CD2 4.47Å |
| 468 | D | 72.7 | Confident | 70.7 | Confident | 48 Ų | 48 | 52.2 Ų | 52.2 | 26% | 0.257 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.1 | -55.4 | 167.5 | 168.8 | 36.5 | 0 | 0 | 0 | 112.5 | T466 T470 I471 K472 Y522 Y608 | T466-D468 CarbonylContact O-C 3.48Å; T466-D468 PolarHBondContact O-N 2.57Å; D468-T470 PolarHBondContact O-N 3.01Å; D468-I471 PolarHBondContact O-N 3.48Å; D468-K472 WeakPolarHBondContact O-CB 3.03Å; D468-K472 WeakPolarHBondContact O-CG 3.34Å; D468-K472 PolarHBondContact O-N 3.02Å; D468-K472 VanDerWaalsContact OD1-CD 3.26Å; D468-K472 WeakPolarHBondContact OD1-CD 3.3Å; D468-K472 WeakPolarHBondContact OD1-CE 3.22Å; D468-K472 IonicContact OD1-NZ 2.62Å; D468-K472 PolarHBondContact OD1-NZ 3.06Å; D468-K472 IonicContact OD2-NZ 3.25Å; D468-K472 PolarHBondContact OD2-NZ 2.81Å; D468-Y522 HydrophobicContact CB-CE2 4.3Å; D468-Y522 VanDerWaalsContact OD1-CE2 3.32Å; D468-Y522 WeakPolarHBondContact OD1-CE2 2.93Å; D468-Y522 PolarHBondContact OD1-OH 3.43Å; D468-Y608 PolarHBondContact N-OH 3.47Å |
| 469 | E | 73.5 | Confident | 70.2 | Confident | 81 Ų | 81 | 53 Ų | 53 | 38% | 0.379 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.3 | -39 | 176.3 | -156.6 | -155.4 | 131.1 | 0 | 0 | 112.7 | S465 T466 I471 K472 N473 | S465-E469 VanDerWaalsContact CA-OE2 3.27Å; S465-E469 WeakPolarHBondContact CA-OE2 3.03Å; S465-E469 WeakPolarHBondContact CB-OE2 3.34Å; T466-E469 CarbonylContact O-C 3.57Å; T466-E469 WeakPolarHBondContact O-CA 3.21Å; T466-E469 PolarHBondContact O-N 3.26Å; T466-E469 PolarHBondContact OG1-N 3.15Å; E469-I471 VanDerWaalsContact C-N 3.32Å; E469-I471 PolarHBondContact O-N 3.27Å; E469-K472 PolarHBondContact O-N 3.24Å; E469-N473 VanDerWaalsContact O-CB 3.26Å; E469-N473 WeakPolarHBondContact O-CB 3.48Å; E469-N473 PolarHBondContact O-N 3.3Å; E469-N473 PolarHBondContact O-ND2 2.84Å; E469-N473 PolarHBondContact OE1-ND2 3.33Å |
| 470 | T | 74.1 | Confident | 69.8 | Low | 20 Ų | 20 | 59.8 Ų | 59.8 | 12% | 0.123 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.2 | -35.1 | 177.3 | -64.6 | 0 | 0 | 0 | 0 | 112.1 | I462 S465 T466 D468 M474 | I462-T470 HydrophobicContact CD1-CG2 4.16Å; I462-T470 HydrophobicContact CG2-CG2 4.18Å; I462-T470 WeakPolarHBondContact CG2-OG1 3.46Å; S465-T470 PolarHBondContact O-OG1 2.82Å; T466-T470 PolarHBondContact O-N 2.82Å; D468-T470 PolarHBondContact O-N 3.01Å; T470-M474 WeakPolarHBondContact O-CB 3.3Å; T470-M474 PolarHBondContact O-N 3.46Å |
| 471 | I | 79 | Confident | 69.7 | Low | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.5 | -57.4 | 168.5 | -76.6 | 174.5 | 0 | 0 | 0 | 109.1 | Y467 D468 E469 N473 M474 F475 L488 Y522 I577 P607 Y608 | Y467-I471 WeakPolarHBondContact O-CB 3.41Å; Y467-I471 VanDerWaalsContact O-CG1 3.27Å; Y467-I471 WeakPolarHBondContact O-CG1 3.21Å; Y467-I471 PolarHBondContact O-N 2.96Å; D468-I471 PolarHBondContact O-N 3.48Å; E469-I471 VanDerWaalsContact C-N 3.32Å; E469-I471 PolarHBondContact O-N 3.27Å; I471-N473 VanDerWaalsContact C-N 3.32Å; I471-N473 PolarHBondContact O-N 3.14Å; I471-M474 WeakPolarHBondContact O-CA 3.39Å; I471-M474 VanDerWaalsContact O-CB 3.28Å; I471-M474 WeakPolarHBondContact O-CB 3.5Å; I471-M474 PolarHBondContact O-N 2.97Å; I471-F475 HydrophobicContact CG2-CD2 3.7Å; I471-F475 HydrophobicContact CG2-CE2 3.83Å; I471-F475 WeakPolarHBondContact O-CD2 3.3Å; I471-F475 PolarHBondContact O-N 3.47Å; I471-L488 HydrophobicContact CG2-CD1 4.17Å; I471-Y522 HydrophobicContact CD1-CD2 3.95Å; I471-Y522 HydrophobicContact CD1-CG 4.31Å; I471-Y522 HydrophobicContact CG2-CD1 4.33Å; I471-Y522 HydrophobicContact CG2-CD2 4.04Å; I471-Y522 HydrophobicContact CG2-CE2 4.47Å; I471-Y522 HydrophobicContact CG2-CG 3.98Å; I471-I577 HydrophobicContact CD1-CD1 4.03Å; I471-I577 HydrophobicContact CG1-CD1 3.85Å; I471-P607 HydrophobicContact CD1-CG 3.73Å; I471-Y608 HydrophobicContact CD1-CD1 4.39Å; I471-Y608 HydrophobicContact CD1-CE1 3.51Å |
| 472 | K | 78.5 | Confident | 69.9 | Low | 81 Ų | 81 | 58.7 Ų | 58.7 | 35% | 0.352 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -50.1 | -50.1 | -179.8 | -77.3 | 166.7 | 172.2 | 154.7 | 0 | 112.2 | D468 E469 M474 F475 T476 Y522 | D468-K472 WeakPolarHBondContact O-CB 3.03Å; D468-K472 WeakPolarHBondContact O-CG 3.34Å; D468-K472 PolarHBondContact O-N 3.02Å; D468-K472 VanDerWaalsContact OD1-CD 3.26Å; D468-K472 WeakPolarHBondContact OD1-CD 3.3Å; D468-K472 WeakPolarHBondContact OD1-CE 3.22Å; D468-K472 IonicContact OD1-NZ 2.62Å; D468-K472 PolarHBondContact OD1-NZ 3.06Å; D468-K472 IonicContact OD2-NZ 3.25Å; D468-K472 PolarHBondContact OD2-NZ 2.81Å; E469-K472 PolarHBondContact O-N 3.24Å; K472-M474 VanDerWaalsContact C-N 3.3Å; K472-M474 PolarHBondContact O-N 3.41Å; K472-F475 CarbonylContact O-C 3.5Å; K472-F475 WeakPolarHBondContact O-CA 3.37Å; K472-F475 PolarHBondContact O-N 3.02Å; K472-T476 WeakPolarHBondContact O-CG2 3.21Å; K472-T476 PolarHBondContact O-N 3.21Å; K472-T476 PolarHBondContact O-OG1 2.84Å; K472-Y522 WeakPolarHBondContact CE-OH 3.34Å |
| 473 | N | 76.1 | Confident | 70.2 | Confident | 64 Ų | 64 | 63.4 Ų | 63.4 | 34% | 0.342 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.1 | -33.2 | 178.8 | -68.3 | -14 | 0 | 0 | 0 | 112.3 | E469 I471 T476 N477 | E469-N473 VanDerWaalsContact O-CB 3.26Å; E469-N473 WeakPolarHBondContact O-CB 3.48Å; E469-N473 PolarHBondContact O-N 3.3Å; E469-N473 PolarHBondContact O-ND2 2.84Å; E469-N473 PolarHBondContact OE1-ND2 3.33Å; I471-N473 VanDerWaalsContact C-N 3.32Å; I471-N473 PolarHBondContact O-N 3.14Å; N473-T476 WeakPolarHBondContact CA-OG1 3.4Å; N473-T476 PolarHBondContact O-OG1 2.94Å; N473-N477 WeakPolarHBondContact O-CB 3.12Å; N473-N477 PolarHBondContact O-N 2.57Å; N473-N477 PolarHBondContact O-ND2 3.19Å |
| 474 | M | 75.4 | Confident | 71.2 | Confident | 24 Ų | 24 | 63.4 Ų | 63.4 | 12% | 0.118 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 169.9 | -167.7 | -174.6 | -59.6 | 0 | 0 | 111.1 | T470 I471 K472 L478 L580 R581 | T470-M474 WeakPolarHBondContact O-CB 3.3Å; T470-M474 PolarHBondContact O-N 3.46Å; I471-M474 WeakPolarHBondContact O-CA 3.39Å; I471-M474 VanDerWaalsContact O-CB 3.28Å; I471-M474 WeakPolarHBondContact O-CB 3.5Å; I471-M474 PolarHBondContact O-N 2.97Å; K472-M474 VanDerWaalsContact C-N 3.3Å; K472-M474 PolarHBondContact O-N 3.41Å; M474-L478 WeakPolarHBondContact O-CG 3.38Å; M474-L478 PolarHBondContact O-N 3.47Å; M474-L580 HydrophobicContact CE-CB 4.2Å; M474-L580 HydrophobicContact SD-CB 4.06Å; M474-R581 HydrophobicContact CE-CG 3.67Å |
| 475 | F | 74.2 | Confident | 72.7 | Confident | 19 Ų | 19 | 60 Ų | 60 | 8% | 0.083 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -78.7 | -29.3 | -178.4 | -74.6 | -79 | 0 | 0 | 0 | 115 | I471 K472 L478 F486 L488 I524 | I471-F475 HydrophobicContact CG2-CD2 3.7Å; I471-F475 HydrophobicContact CG2-CE2 3.83Å; I471-F475 WeakPolarHBondContact O-CD2 3.3Å; I471-F475 PolarHBondContact O-N 3.47Å; K472-F475 CarbonylContact O-C 3.5Å; K472-F475 WeakPolarHBondContact O-CA 3.37Å; K472-F475 PolarHBondContact O-N 3.02Å; F475-L478 HydrophobicContact CB-CD1 4.4Å; F475-L478 HydrophobicContact CD1-CD1 3.51Å; F475-L478 HydrophobicContact CE1-CD1 4.05Å; F475-L478 HydrophobicContact CG-CD1 4.32Å; F475-F486 HydrophobicContact CD1-CB 4.46Å; F475-F486 HydrophobicContact CE1-CB 3.97Å; F475-F486 AromaticContact CE1-CD1 3.7Å; F475-F486 HydrophobicContact CE1-CD1 3.7Å; F475-F486 HydrophobicContact CE1-CG 4.14Å; F475-F486 HydrophobicContact CZ-CD1 4.16Å; F475-L488 HydrophobicContact CB-CD2 4.17Å; F475-L488 HydrophobicContact CD1-CB 4.17Å; F475-L488 HydrophobicContact CD2-CD1 3.89Å; F475-L488 HydrophobicContact CD2-CD2 4.08Å; F475-L488 HydrophobicContact CD2-CG 4.49Å; F475-L488 HydrophobicContact CE1-CB 4.47Å; F475-L488 HydrophobicContact CE1-CD1 4.46Å; F475-L488 HydrophobicContact CE2-CD1 3.9Å; F475-L488 HydrophobicContact CG-CB 4.43Å; F475-L488 HydrophobicContact CG-CD1 4.28Å; F475-L488 HydrophobicContact CG-CD2 3.96Å; F475-L488 HydrophobicContact CG-CG 4.46Å; F475-L488 HydrophobicContact CZ-CD1 4.23Å; F475-I524 HydrophobicContact CE1-CG1 4.4Å; F475-I524 HydrophobicContact CE1-CG2 4.01Å; F475-I524 HydrophobicContact CE2-CG1 3.74Å; F475-I524 HydrophobicContact CZ-CB 4.13Å; F475-I524 HydrophobicContact CZ-CG1 3.4Å; F475-I524 VanDerWaalsContact CZ-CG1 3.4Å; F475-I524 HydrophobicContact CZ-CG2 3.54Å |
| 476 | T | 73.2 | Confident | 74.3 | Confident | 99 Ų | 99 | 58.9 Ų | 58.9 | 61% | 0.607 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -74.9 | -33 | 172.8 | 56 | 0 | 0 | 0 | 0 | 111.7 | K472 N473 | K472-T476 WeakPolarHBondContact O-CG2 3.21Å; K472-T476 PolarHBondContact O-N 3.21Å; K472-T476 PolarHBondContact O-OG1 2.84Å; N473-T476 WeakPolarHBondContact CA-OG1 3.4Å; N473-T476 PolarHBondContact O-OG1 2.94Å |
| 477 | N | 69 | Low | 75.2 | Confident | 120 Ų | 120 | 57.1 Ų | 57.1 | 64% | 0.642 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -92.5 | 1.9 | -177 | -56.1 | -7.1 | 0 | 0 | 0 | 112.8 | N473 S479 | N473-N477 WeakPolarHBondContact O-CB 3.12Å; N473-N477 PolarHBondContact O-N 2.57Å; N473-N477 PolarHBondContact O-ND2 3.19Å; N477-S479 PolarHBondContact O-N 3.19Å; N477-S479 VanDerWaalsContact O-N 3.16Å |
| 478 | L | 70.4 | Confident | 75.8 | Confident | 11 Ų | 11 | 58.8 Ų | 58.8 | 6% | 0.058 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -52.7 | 118.9 | 164 | -79 | 169.9 | 0 | 0 | 0 | 108.8 | M474 F475 H480 I482 K483 F486 | M474-L478 WeakPolarHBondContact O-CG 3.38Å; M474-L478 PolarHBondContact O-N 3.47Å; F475-L478 HydrophobicContact CB-CD1 4.4Å; F475-L478 HydrophobicContact CD1-CD1 3.51Å; F475-L478 HydrophobicContact CE1-CD1 4.05Å; F475-L478 HydrophobicContact CG-CD1 4.32Å; L478-H480 PolarHBondContact O-N 3.21Å; L478-I482 HydrophobicContact CB-CG1 4.38Å; L478-I482 HydrophobicContact CD2-CD1 3.51Å; L478-I482 HydrophobicContact CD2-CG1 3.81Å; L478-K483 HydrophobicContact CB-CB 4.08Å; L478-K483 HydrophobicContact CB-CG 4.26Å; L478-K483 HydrophobicContact CD1-CG 4.31Å; L478-F486 HydrophobicContact CD1-CB 3.76Å; L478-F486 HydrophobicContact CD1-CD2 4.01Å; L478-F486 HydrophobicContact CD1-CG 3.91Å; L478-F486 HydrophobicContact CD2-CD2 3.44Å; L478-F486 VanDerWaalsContact CD2-CD2 3.44Å; L478-F486 HydrophobicContact CD2-CE2 3.46Å; L478-F486 VanDerWaalsContact CD2-CE2 3.46Å; L478-F486 HydrophobicContact CD2-CG 4.05Å; L478-F486 HydrophobicContact CD2-CZ 4.09Å; L478-F486 HydrophobicContact CG-CD2 4.42Å |
| 479 | S | 67.9 | Low | 76.4 | Confident | 59 Ų | 59 | 58 Ų | 58 | 41% | 0.413 | 30% | 0.298 | S | S | . | . | trans | -59.7 | 143.8 | 173.4 | 77.3 | 0 | 0 | 0 | 0 | 109.4 | N477 S481 I482 K483 | N477-S479 PolarHBondContact O-N 3.19Å; N477-S479 VanDerWaalsContact O-N 3.16Å; S479-S481 PolarHBondContact O-N 2.69Å; S479-I482 WeakPolarHBondContact O-CG1 3.44Å; S479-I482 PolarHBondContact O-N 2.63Å; S479-K483 PolarHBondContact O-N 2.92Å | ||
| 480 | H | 70.4 | Confident | 76.8 | Confident | 172 Ų | 172 | 59.7 Ų | 59.7 | 80% | 0.796 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -53.4 | -34.5 | -174.2 | -168.9 | 98.4 | 0 | 0 | 0 | 112 | L478 I482 | L478-H480 PolarHBondContact O-N 3.21Å; H480-I482 PolarHBondContact O-N 3.2Å |
| 481 | S | 70.3 | Confident | 77.2 | Confident | 81 Ų | 81 | 58.9 Ų | 58.9 | 57% | 0.566 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -56.4 | -39 | 173.5 | -46.4 | 0 | 0 | 0 | 0 | 114.6 | S479 K484 | S479-S481 PolarHBondContact O-N 2.69Å; S481-K484 VanDerWaalsContact O-CE 3.24Å; S481-K484 WeakPolarHBondContact O-CE 3.05Å |
| 482 | I | 78.6 | Confident | 77.2 | Confident | 8 Ų | 8 | 62.7 Ų | 62.7 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -100.8 | -17.9 | -179.1 | 66 | 168.3 | 0 | 0 | 0 | 113.7 | L478 S479 H480 K484 Y485 F486 T588 | L478-I482 HydrophobicContact CB-CG1 4.38Å; L478-I482 HydrophobicContact CD2-CD1 3.51Å; L478-I482 HydrophobicContact CD2-CG1 3.81Å; S479-I482 WeakPolarHBondContact O-CG1 3.44Å; S479-I482 PolarHBondContact O-N 2.63Å; H480-I482 PolarHBondContact O-N 3.2Å; I482-K484 PolarHBondContact O-N 2.93Å; I482-K484 VanDerWaalsContact O-N 3.11Å; I482-Y485 HydrophobicContact CB-CD2 3.93Å; I482-Y485 HydrophobicContact CB-CE2 4.33Å; I482-Y485 HydrophobicContact CG2-CD2 4.12Å; I482-Y485 HydrophobicContact CG2-CE2 4.1Å; I482-Y485 WeakPolarHBondContact O-CB 3.37Å; I482-Y485 PolarHBondContact O-N 2.77Å; I482-F486 HydrophobicContact CD1-CE2 4.42Å; I482-T588 HydrophobicContact CD1-CG2 3.59Å |
| 483 | K | 78 | Confident | 76.9 | Confident | 115 Ų | 115 | 59.2 Ų | 59.2 | 50% | 0.5 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -53.6 | -35.8 | -178.2 | -168.6 | -178.5 | 178 | -169.8 | 0 | 112.2 | L478 S479 Y485 F486 | L478-K483 HydrophobicContact CB-CB 4.08Å; L478-K483 HydrophobicContact CB-CG 4.26Å; L478-K483 HydrophobicContact CD1-CG 4.31Å; S479-K483 PolarHBondContact O-N 2.92Å; K483-Y485 PolarHBondContact O-N 2.71Å; K483-F486 PolarHBondContact O-N 3.26Å |
| 484 | K | 77.1 | Confident | 76.4 | Confident | 118 Ų | 118 | 59.3 Ų | 59.3 | 51% | 0.513 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -12.8 | 175.2 | 71.8 | -169.1 | -177.5 | -172.3 | 0 | 115.8 | S481 I482 | S481-K484 VanDerWaalsContact O-CE 3.24Å; S481-K484 WeakPolarHBondContact O-CE 3.05Å; I482-K484 PolarHBondContact O-N 2.93Å; I482-K484 VanDerWaalsContact O-N 3.11Å |
| 485 | Y | 81.8 | Confident | 75.4 | Confident | 27 Ų | 27 | 60.9 Ų | 60.9 | 11% | 0.106 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -6.9 | 176.9 | -52 | -36.9 | 0 | 0 | 0 | 113.2 | I482 K483 L526 S527 L528 P529 L587 W595 | I482-Y485 HydrophobicContact CB-CD2 3.93Å; I482-Y485 HydrophobicContact CB-CE2 4.33Å; I482-Y485 HydrophobicContact CG2-CD2 4.12Å; I482-Y485 HydrophobicContact CG2-CE2 4.1Å; I482-Y485 WeakPolarHBondContact O-CB 3.37Å; I482-Y485 PolarHBondContact O-N 2.77Å; K483-Y485 PolarHBondContact O-N 2.71Å; Y485-L526 WeakPolarHBondContact O-CA 3.49Å; Y485-S527 WeakPolarHBondContact CA-O 3.44Å; Y485-S527 PolarHBondContact O-N 3.16Å; Y485-L528 HydrophobicContact CD1-CD2 3.63Å; Y485-L528 HydrophobicContact CD2-CD2 3.82Å; Y485-L528 HydrophobicContact CE1-CD2 3.66Å; Y485-L528 HydrophobicContact CE2-CD2 3.86Å; Y485-L528 HydrophobicContact CG-CD2 3.71Å; Y485-P529 HydrophobicContact CD1-CG 4.36Å; Y485-P529 VanDerWaalsContact CE1-CD 3.41Å; Y485-P529 HydrophobicContact CE1-CG 4.03Å; Y485-L587 HydrophobicContact CD2-CD2 4.17Å; Y485-W595 AromaticContact CE2-CH2 3.84Å; Y485-W595 HydrophobicContact CE2-CH2 3.84Å; Y485-W595 AromaticContact CE2-CZ2 3.95Å; Y485-W595 HydrophobicContact CE2-CZ2 3.95Å; Y485-W595 AromaticContact CZ-CH2 3.84Å; Y485-W595 VanDerWaalsContact OH-CH2 3.32Å; Y485-W595 WeakPolarHBondContact OH-CH2 3.41Å |
| 486 | F | 83.3 | Confident | 74.2 | Confident | 16 Ų | 16 | 62.7 Ų | 62.7 | 7% | 0.07 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 134.5 | -173.2 | -78.2 | -89.6 | 0 | 0 | 0 | 110.9 | F475 L478 I482 K483 I524 G525 L526 H584 L587 | F475-F486 HydrophobicContact CD1-CB 4.46Å; F475-F486 HydrophobicContact CE1-CB 3.97Å; F475-F486 AromaticContact CE1-CD1 3.7Å; F475-F486 HydrophobicContact CE1-CD1 3.7Å; F475-F486 HydrophobicContact CE1-CG 4.14Å; F475-F486 HydrophobicContact CZ-CD1 4.16Å; L478-F486 HydrophobicContact CD1-CB 3.76Å; L478-F486 HydrophobicContact CD1-CD2 4.01Å; L478-F486 HydrophobicContact CD1-CG 3.91Å; L478-F486 HydrophobicContact CD2-CD2 3.44Å; L478-F486 VanDerWaalsContact CD2-CD2 3.44Å; L478-F486 HydrophobicContact CD2-CE2 3.46Å; L478-F486 VanDerWaalsContact CD2-CE2 3.46Å; L478-F486 HydrophobicContact CD2-CG 4.05Å; L478-F486 HydrophobicContact CD2-CZ 4.09Å; L478-F486 HydrophobicContact CG-CD2 4.42Å; I482-F486 HydrophobicContact CD1-CE2 4.42Å; K483-F486 PolarHBondContact O-N 3.26Å; F486-I524 HydrophobicContact CD1-CG2 3.94Å; F486-I524 HydrophobicContact CE1-CG2 4.43Å; F486-G525 CarbonylContact C-O 3.59Å; F486-G525 WeakPolarHBondContact CA-O 3.33Å; F486-L526 HydrophobicContact CD1-CD2 4.04Å; F486-L526 HydrophobicContact CD1-CG 3.96Å; F486-L526 HydrophobicContact CE1-CD2 3.4Å; F486-L526 HydrophobicContact CE1-CG 3.84Å; F486-L526 HydrophobicContact CZ-CD2 3.82Å; F486-H584 HydrophobicContact CZ-CB 4.35Å; F486-L587 HydrophobicContact CD2-CD1 4.32Å; F486-L587 HydrophobicContact CE2-CD1 3.4Å; F486-L587 VanDerWaalsContact CE2-CD1 3.4Å; F486-L587 HydrophobicContact CZ-CD1 3.71Å |
| 487 | T | 83.5 | Confident | 72.6 | Confident | 19 Ų | 19 | 64 Ų | 64 | 12% | 0.117 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 119.3 | 173.9 | 49.3 | 0 | 0 | 0 | 0 | 109.4 | I524 G525 M548 | T487-I524 WeakPolarHBondContact O-CA 3.37Å; T487-G525 PolarHBondContact N-O 3.32Å; T487-G525 PolarHBondContact O-N 2.96Å; T487-G525 VanDerWaalsContact OG1-CA 3.27Å; T487-G525 WeakPolarHBondContact OG1-CA 3.37Å; T487-G525 PolarHBondContact OG1-O 3.42Å; T487-M548 HydrophobicContact CG2-CB 4.41Å |
| 488 | L | 84.6 | Confident | 71 | Confident | 51 Ų | 51 | 63.6 Ų | 63.6 | 27% | 0.267 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 105.2 | -179.6 | -174.7 | 65.9 | 0 | 0 | 0 | 110.1 | I471 F475 Q490 Y522 I524 | I471-L488 HydrophobicContact CG2-CD1 4.17Å; F475-L488 HydrophobicContact CB-CD2 4.17Å; F475-L488 HydrophobicContact CD1-CB 4.17Å; F475-L488 HydrophobicContact CD2-CD1 3.89Å; F475-L488 HydrophobicContact CD2-CD2 4.08Å; F475-L488 HydrophobicContact CD2-CG 4.49Å; F475-L488 HydrophobicContact CE1-CB 4.47Å; F475-L488 HydrophobicContact CE1-CD1 4.46Å; F475-L488 HydrophobicContact CE2-CD1 3.9Å; F475-L488 HydrophobicContact CG-CB 4.43Å; F475-L488 HydrophobicContact CG-CD1 4.28Å; F475-L488 HydrophobicContact CG-CD2 3.96Å; F475-L488 HydrophobicContact CG-CG 4.46Å; F475-L488 HydrophobicContact CZ-CD1 4.23Å; L488-Q490 HydrophobicContact CG-CG 4.42Å; L488-Y522 HydrophobicContact CD1-CD1 3.59Å; L488-Y522 HydrophobicContact CD1-CE1 4.39Å; L488-Y522 HydrophobicContact CD1-CG 4.22Å; L488-Y522 HydrophobicContact CD2-CD1 4.25Å; L488-Y522 HydrophobicContact CD2-CE1 4.24Å; L488-Y522 HydrophobicContact CG-CD1 3.99Å; L488-Y522 HydrophobicContact CG-CE1 4.41Å; L488-I524 HydrophobicContact CD1-CG1 4.18Å |
| 489 | H | 84.6 | Confident | 69.5 | Low | 33 Ų | 33 | 70 Ų | 70 | 15% | 0.153 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 125.4 | 169.7 | -62.3 | -77.9 | 0 | 0 | 0 | 109.6 | Y522 G523 I658 | H489-Y522 WeakPolarHBondContact O-CA 3.45Å; H489-G523 WeakPolarHBondContact CB-O 3.32Å; H489-G523 PolarHBondContact N-O 2.98Å; H489-G523 PolarHBondContact O-N 3.12Å; H489-I658 HydrophobicContact CB-CD1 4.15Å |
| 490 | Q | 83.2 | Confident | 67.9 | Low | 115 Ų | 115 | 73.5 Ų | 73.5 | 54% | 0.537 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 120 | 174.4 | -42.3 | -160.2 | -1 | 0 | 0 | 108.2 | L488 T520 Y522 | L488-Q490 HydrophobicContact CG-CG 4.42Å; Q490-T520 HydrophobicContact CB-CG2 4.04Å; Q490-Y522 HydrophobicContact CB-CD1 4.41Å; Q490-Y522 HydrophobicContact CB-CE1 4.06Å; Q490-Y522 HydrophobicContact CG-CD1 4.07Å; Q490-Y522 HydrophobicContact CG-CE1 3.62Å |
| 491 | I | 82.5 | Confident | 66.2 | Low | 3 Ų | 3 | 71.5 Ų | 71.5 | 2% | 0.015 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 106.2 | -179 | -54 | -178.4 | 0 | 0 | 0 | 107.9 | V521 F606 I649 N652 F655 I658 | I491-V521 HydrophobicContact CB-CB 4.42Å; I491-V521 PolarHBondContact N-O 2.79Å; I491-V521 PolarHBondContact O-N 3.46Å; I491-F606 HydrophobicContact CD1-CE1 3.95Å; I491-I649 HydrophobicContact CB-CD1 4.34Å; I491-I649 HydrophobicContact CG2-CD1 3.74Å; I491-N652 WeakPolarHBondContact CG2-OD1 3.46Å; I491-F655 HydrophobicContact CD1-CB 4Å; I491-F655 HydrophobicContact CD1-CD2 4.13Å; I491-I658 HydrophobicContact CD1-CD1 4.18Å; I491-I658 HydrophobicContact CG1-CD1 4.49Å |
| 492 | T | 79.1 | Confident | 64.6 | Low | 81 Ų | 81 | 72 Ų | 72 | 50% | 0.497 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 133.4 | 174.9 | -37.4 | 0 | 0 | 0 | 0 | 110 | L518 N652 | T492-L518 HydrophobicContact CG2-CB 4.2Å; T492-L518 HydrophobicContact CG2-CD2 4.18Å; T492-N652 PolarHBondContact O-ND2 2.71Å |
| 493 | V | 72.1 | Confident | 62.6 | Low | 8 Ų | 8 | 79 Ų | 79 | 5% | 0.048 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 123.1 | -179.4 | 179.9 | 0 | 0 | 0 | 0 | 107.6 | S519 V521 P648 I649 | V493-S519 PolarHBondContact N-O 2.91Å; V493-S519 PolarHBondContact O-N 2.71Å; V493-V521 HydrophobicContact CG2-CG2 4.05Å; V493-P648 HydrophobicContact CG1-CB 4.28Å; V493-P648 HydrophobicContact CG1-CG 3.56Å; V493-I649 HydrophobicContact CG2-CD1 3.84Å |
| 494 | S | 64.4 | Low | 60.5 | Low | 66 Ų | 66 | 79.4 Ų | 79.4 | 46% | 0.462 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -88.3 | 127.4 | 173.3 | -174 | 0 | 0 | 0 | 0 | 109.9 | ||
| 495 | L | 56.2 | Low | 58.4 | Low | 57 Ų | 57 | 80.3 Ų | 80.3 | 30% | 0.298 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -84.9 | 121.4 | 168.9 | -105.8 | 68.2 | 0 | 0 | 0 | 109.1 | V612 | L495-V612 HydrophobicContact CD1-CG2 3.9Å; L495-V612 HydrophobicContact CD2-CB 4.43Å; L495-V612 HydrophobicContact CD2-CG1 4.13Å; L495-V612 HydrophobicContact CD2-CG2 3.91Å |
| 496 | G | 48.8 | Very low | 56.2 | Low | 58 Ų | 58 | 86.2 Ų | 86.2 | 60% | 0.598 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 154.4 | 171 | 0 | 0 | 0 | 0 | 0 | 112 | T498 | G496-T498 VanDerWaalsContact C-N 3.34Å; G496-T498 PolarHBondContact O-N 3.29Å; G496-T498 PolarHBondContact O-OG1 2.9Å |
| 497 | N | 38.3 | Very low | 53.9 | Low | 125 Ų | 125 | 93.4 Ų | 93.4 | 67% | 0.668 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -65.7 | 84.2 | -177.9 | -77.9 | -61.2 | 0 | 0 | 0 | 113.1 | ||
| 498 | T | 36.2 | Very low | 51.7 | Low | 112 Ų | 112 | 99.1 Ų | 99.1 | 69% | 0.687 | 59% | 0.585 | S | S | * | * | trans | -123 | 152.1 | 163.1 | 40.5 | 0 | 0 | 0 | 0 | 109.4 | G496 | G496-T498 VanDerWaalsContact C-N 3.34Å; G496-T498 PolarHBondContact O-N 3.29Å; G496-T498 PolarHBondContact O-OG1 2.9Å | ||
| 499 | I | 38.3 | Very low | 49.4 | Very low | 146 Ų | 146 | 102.2 Ų | 102.2 | 75% | 0.749 | 61% | 0.612 | S | S | * | * | S | Bend | trans | 72.4 | 73.2 | -171.2 | -42.2 | 169.4 | 0 | 0 | 0 | 113.4 | ||
| 500 | N | 34.2 | Very low | 47.2 | Very low | 132 Ų | 132 | 108 Ų | 108 | 71% | 0.706 | 64% | 0.644 | S | S | * | * | trans | -144.7 | 6.3 | 157.1 | -126 | -12.3 | 0 | 0 | 0 | 114.1 | ||||
| 501 | S | 35.8 | Very low | 45 | Very low | 130 Ų | 130 | 110.8 Ų | 110.8 | 91% | 0.909 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -112.9 | 10.2 | -166.9 | -47.4 | 0 | 0 | 0 | 0 | 115.2 | ||
| 502 | A | 36.8 | Very low | 43 | Very low | 91 Ų | 91 | 114 Ų | 114 | 75% | 0.752 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -111.5 | -27 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 503 | I | 35.8 | Very low | 41.1 | Very low | 157 Ų | 157 | 122 Ų | 122 | 81% | 0.805 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -140.1 | 83 | -171.5 | -48.7 | 179.3 | 0 | 0 | 0 | 111 | ||
| 504 | T | 33.9 | Very low | 39.6 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | trans | -159.9 | 45.2 | 163.3 | -3 | 0 | 0 | 0 | 0 | 113.5 | N506 | T504-N506 VanDerWaalsContact C-N 3.25Å; T504-N506 PolarHBondContact O-N 3.03Å | ||
| 505 | T | 33.4 | Very low | 38.5 | Very low | 138 Ų | 138 | 129.8 Ų | 129.8 | 85% | 0.847 | 76% | 0.762 | S | S | * | * | trans | -75.1 | 76 | 166.9 | 53.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 506 | N | 35.5 | Very low | 38 | Very low | 151 Ų | 151 | 132.9 Ų | 132.9 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -173.5 | 145.5 | 147.6 | -94.4 | -30.2 | 0 | 0 | 0 | 111.8 | T504 T508 | T504-N506 VanDerWaalsContact C-N 3.25Å; T504-N506 PolarHBondContact O-N 3.03Å; N506-T508 PolarHBondContact O-N 2.9Å |
| 507 | N | 34.6 | Very low | 38.3 | Very low | 166 Ų | 166 | 134.4 Ų | 134.4 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | trans | -80 | 116 | -170 | -60.3 | -48.2 | 0 | 0 | 0 | 113.6 | ||||
| 508 | T | 36.9 | Very low | 39.3 | Very low | 139 Ų | 139 | 133.9 Ų | 133.9 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -144 | 145.6 | 141.4 | 35.6 | 0 | 0 | 0 | 0 | 109.9 | N506 | N506-T508 PolarHBondContact O-N 2.9Š| ||
| 509 | S | 37.8 | Very low | 40.9 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | -57.2 | 142.3 | -169.6 | 47.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 510 | N | 37 | Very low | 43 | Very low | 155 Ų | 155 | 124.5 Ų | 124.5 | 83% | 0.829 | 72% | 0.72 | S | S | * | * | trans | -39.5 | 128.6 | 166.2 | -52.8 | -18.4 | 0 | 0 | 0 | 114 | ||||
| 511 | D | 38.1 | Very low | 45.4 | Very low | 173 Ų | 173 | 118.2 Ų | 118.2 | 93% | 0.925 | 69% | 0.686 | S | S | * | * | -171.3 | 83.7 | 127.5 | -103.2 | -16.3 | 0 | 0 | 0 | 109.2 | |||||
| 512 | G | 39.4 | Very low | 47.8 | Very low | 71 Ų | 71 | 112.1 Ų | 112.1 | 73% | 0.732 | 64% | 0.643 | S | S | * | * | trans | -128.2 | 124.1 | -179 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 513 | R | 39.8 | Very low | 50.3 | Low | 248 Ų | 248 | 107.8 Ų | 107.8 | 94% | 0.936 | 61% | 0.607 | S | S | * | * | trans | -74.6 | 128.2 | 178.2 | -69.3 | 176.7 | 175.9 | 143.9 | -1.3 | 110.3 | S515 | R513-S515 PolarHBondContact O-N 2.76Å; R513-S515 VanDerWaalsContact O-N 3.11Å | ||
| 514 | N | 39.7 | Very low | 52.8 | Low | 132 Ų | 132 | 100.3 Ų | 100.3 | 71% | 0.706 | 57% | 0.569 | S | S | * | * | trans | -61.4 | 112.2 | 165.6 | -65.4 | -11.6 | 0 | 0 | 0 | 108.7 | ||||
| 515 | S | 41.5 | Very low | 55.4 | Low | 105 Ų | 105 | 94.5 Ų | 94.5 | 73% | 0.734 | 53% | 0.534 | S | S | * | . | trans | -108.3 | 105.8 | 175.5 | -172.6 | 0 | 0 | 0 | 0 | 108.7 | R513 T517 | R513-S515 PolarHBondContact O-N 2.76Å; R513-S515 VanDerWaalsContact O-N 3.11Å; S515-T517 PolarHBondContact O-N 2.99Å | ||
| 516 | E | 46.9 | Very low | 58 | Low | 122 Ų | 122 | 88 Ų | 88 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | trans | -64.6 | 119.5 | 177.9 | -63.9 | -178 | 159.5 | 0 | 0 | 110.2 | L518 | E516-L518 PolarHBondContact O-N 2.83Š| ||
| 517 | T | 53.9 | Low | 60.4 | Low | 91 Ų | 91 | 81.2 Ų | 81.2 | 56% | 0.558 | 46% | 0.458 | S | S | * | . | trans | -82.8 | 82.8 | -177.5 | 50.9 | 0 | 0 | 0 | 0 | 110.8 | S515 S519 | S515-T517 PolarHBondContact O-N 2.99Å; T517-S519 PolarHBondContact O-N 3.37Å | ||
| 518 | L | 59.3 | Low | 62.5 | Low | 113 Ų | 113 | 73.7 Ų | 73.7 | 59% | 0.592 | 42% | 0.418 | S | S | * | . | trans | -59.8 | 132 | 172 | -64.6 | 173.9 | 0 | 0 | 0 | 110.8 | T492 E516 | T492-L518 HydrophobicContact CG2-CB 4.2Å; T492-L518 HydrophobicContact CG2-CD2 4.18Å; E516-L518 PolarHBondContact O-N 2.83Å | ||
| 519 | S | 71.4 | Confident | 63.9 | Low | 22 Ų | 22 | 70.3 Ų | 70.3 | 15% | 0.154 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 151.7 | 176.2 | -66.5 | 0 | 0 | 0 | 0 | 110.8 | V493 T517 V612 | V493-S519 PolarHBondContact N-O 2.91Å; V493-S519 PolarHBondContact O-N 2.71Å; T517-S519 PolarHBondContact O-N 3.37Å; S519-V612 VanDerWaalsContact OG-CG2 3.25Å; S519-V612 WeakPolarHBondContact OG-CG2 3.44Å |
| 520 | T | 80.6 | Confident | 64.8 | Low | 40 Ų | 40 | 67 Ų | 67 | 25% | 0.245 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 128.2 | -178.8 | -56.3 | 0 | 0 | 0 | 0 | 110.8 | Q490 Y522 | Q490-T520 HydrophobicContact CB-CG2 4.04Å; T520-Y522 HydrophobicContact CG2-CD1 4.42Å; T520-Y522 HydrophobicContact CG2-CE1 3.86Å; T520-Y522 HydrophobicContact CG2-CE2 3.95Å |
| 521 | V | 84.7 | Confident | 65.2 | Low | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 138.3 | 168 | 166.8 | 0 | 0 | 0 | 0 | 108.6 | I491 V493 F606 L609 P611 I649 | I491-V521 HydrophobicContact CB-CB 4.42Å; I491-V521 PolarHBondContact N-O 2.79Å; I491-V521 PolarHBondContact O-N 3.46Å; V493-V521 HydrophobicContact CG2-CG2 4.05Å; V521-F606 HydrophobicContact CG1-CD1 4.06Å; V521-L609 HydrophobicContact CG1-CD2 4.1Å; V521-P611 HydrophobicContact CG2-CG 4.12Å; V521-I649 HydrophobicContact CB-CD1 4.03Å; V521-I649 HydrophobicContact CG1-CD1 4.06Å; V521-I649 HydrophobicContact CG1-CG1 4.34Å; V521-I649 HydrophobicContact CG2-CD1 4.1Å; V521-I649 HydrophobicContact CG2-CG1 4.49Å |
| 522 | Y | 86.9 | Confident | 65.3 | Low | 1 Ų | 1 | 62.5 Ų | 62.5 | 0% | 0.004 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 134.1 | 178.7 | -69.1 | -73.4 | 0 | 0 | 0 | 112.1 | D468 I471 K472 L488 H489 Q490 T520 F606 P607 Y608 | D468-Y522 HydrophobicContact CB-CE2 4.3Å; D468-Y522 VanDerWaalsContact OD1-CE2 3.32Å; D468-Y522 WeakPolarHBondContact OD1-CE2 2.93Å; D468-Y522 PolarHBondContact OD1-OH 3.43Å; I471-Y522 HydrophobicContact CD1-CD2 3.95Å; I471-Y522 HydrophobicContact CD1-CG 4.31Å; I471-Y522 HydrophobicContact CG2-CD1 4.33Å; I471-Y522 HydrophobicContact CG2-CD2 4.04Å; I471-Y522 HydrophobicContact CG2-CE2 4.47Å; I471-Y522 HydrophobicContact CG2-CG 3.98Å; K472-Y522 WeakPolarHBondContact CE-OH 3.34Å; L488-Y522 HydrophobicContact CD1-CD1 3.59Å; L488-Y522 HydrophobicContact CD1-CE1 4.39Å; L488-Y522 HydrophobicContact CD1-CG 4.22Å; L488-Y522 HydrophobicContact CD2-CD1 4.25Å; L488-Y522 HydrophobicContact CD2-CE1 4.24Å; L488-Y522 HydrophobicContact CG-CD1 3.99Å; L488-Y522 HydrophobicContact CG-CE1 4.41Å; H489-Y522 WeakPolarHBondContact O-CA 3.45Å; Q490-Y522 HydrophobicContact CB-CD1 4.41Å; Q490-Y522 HydrophobicContact CB-CE1 4.06Å; Q490-Y522 HydrophobicContact CG-CD1 4.07Å; Q490-Y522 HydrophobicContact CG-CE1 3.62Å; T520-Y522 HydrophobicContact CG2-CD1 4.42Å; T520-Y522 HydrophobicContact CG2-CE1 3.86Å; T520-Y522 HydrophobicContact CG2-CE2 3.95Å; Y522-F606 VanDerWaalsContact O-CD1 3.29Å; Y522-F606 WeakPolarHBondContact O-CD1 3.29Å; Y522-P607 WeakPolarHBondContact O-CD 3.32Å; Y522-Y608 WeakPolarHBondContact CD2-OH 3.44Å |
| 523 | G | 88.3 | Confident | 64.9 | Low | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 123.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110 | H489 F606 | H489-G523 WeakPolarHBondContact CB-O 3.32Å; H489-G523 PolarHBondContact N-O 2.98Å; H489-G523 PolarHBondContact O-N 3.12Å; G523-F606 VanDerWaalsContact CA-CE1 3.47Å |
| 524 | I | 89.7 | Confident | 64.3 | Low | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 107.5 | -178.5 | -60.3 | 75.6 | 0 | 0 | 0 | 108.3 | F475 F486 T487 L488 L526 L580 L604 I605 P607 | F475-I524 HydrophobicContact CE1-CG1 4.4Å; F475-I524 HydrophobicContact CE1-CG2 4.01Å; F475-I524 HydrophobicContact CE2-CG1 3.74Å; F475-I524 HydrophobicContact CZ-CB 4.13Å; F475-I524 HydrophobicContact CZ-CG1 3.4Å; F475-I524 VanDerWaalsContact CZ-CG1 3.4Å; F475-I524 HydrophobicContact CZ-CG2 3.54Å; F486-I524 HydrophobicContact CD1-CG2 3.94Å; F486-I524 HydrophobicContact CE1-CG2 4.43Å; T487-I524 WeakPolarHBondContact O-CA 3.37Å; L488-I524 HydrophobicContact CD1-CG1 4.18Å; I524-L526 HydrophobicContact CG2-CD1 3.75Å; I524-L526 HydrophobicContact CG2-CG 4.17Å; I524-L580 HydrophobicContact CB-CD2 4.01Å; I524-L580 HydrophobicContact CD1-CD1 3.96Å; I524-L580 HydrophobicContact CG1-CD1 4.23Å; I524-L580 HydrophobicContact CG1-CD2 4.11Å; I524-L580 HydrophobicContact CG2-CD2 3.89Å; I524-L604 CarbonylContact O-C 3.56Å; I524-L604 WeakPolarHBondContact O-CA 3.21Å; I524-I605 WeakPolarHBondContact CD1-O 3.36Å; I524-I605 PolarHBondContact N-O 2.74Å; I524-I605 PolarHBondContact O-N 3.43Å; I524-P607 HydrophobicContact CD1-CG 4Å |
| 525 | G | 88.1 | Confident | 63.7 | Low | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 133.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111 | F486 T487 L603 | F486-G525 CarbonylContact C-O 3.59Å; F486-G525 WeakPolarHBondContact CA-O 3.33Å; T487-G525 PolarHBondContact N-O 3.32Å; T487-G525 PolarHBondContact O-N 2.96Å; T487-G525 VanDerWaalsContact OG1-CA 3.27Å; T487-G525 WeakPolarHBondContact OG1-CA 3.37Å; T487-G525 PolarHBondContact OG1-O 3.42Å; G525-L603 CarbonylContact C-O 3.54Å; G525-L603 VanDerWaalsContact CA-O 3.28Å; G525-L603 WeakPolarHBondContact CA-O 3.37Å |
| 526 | L | 88.8 | Confident | 63 | Low | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 130.1 | 172.1 | -56.8 | 91.4 | 0 | 0 | 0 | 110.8 | Y485 F486 I524 L580 L583 L598 L603 I605 | Y485-L526 WeakPolarHBondContact O-CA 3.49Å; F486-L526 HydrophobicContact CD1-CD2 4.04Å; F486-L526 HydrophobicContact CD1-CG 3.96Å; F486-L526 HydrophobicContact CE1-CD2 3.4Å; F486-L526 HydrophobicContact CE1-CG 3.84Å; F486-L526 HydrophobicContact CZ-CD2 3.82Å; I524-L526 HydrophobicContact CG2-CD1 3.75Å; I524-L526 HydrophobicContact CG2-CG 4.17Å; L526-L580 HydrophobicContact CD1-CD2 4.44Å; L526-L583 HydrophobicContact CD1-CD1 4.4Å; L526-L583 HydrophobicContact CD2-CB 3.88Å; L526-L583 HydrophobicContact CD2-CD1 4Å; L526-L583 HydrophobicContact CD2-CG 4.47Å; L526-L598 HydrophobicContact CB-CD1 4.22Å; L526-L598 HydrophobicContact CB-CD2 3.66Å; L526-L598 HydrophobicContact CD2-CD1 4.26Å; L526-L603 HydrophobicContact CB-CB 4.31Å; L526-L603 HydrophobicContact CD1-CB 4.2Å; L526-L603 PolarHBondContact N-O 3.13Å; L526-L603 PolarHBondContact O-N 3.45Å; L526-I605 HydrophobicContact CD1-CD1 3.77Å; L526-I605 HydrophobicContact CD1-CG1 4.04Å |
| 527 | S | 85.1 | Confident | 62.2 | Low | 10 Ų | 10 | 61.4 Ų | 61.4 | 7% | 0.07 | 33% | 0.33 | C | S | . | . | trans | -166.7 | 147.9 | 167.4 | -142.7 | 0 | 0 | 0 | 0 | 112.6 | Y485 Q553 K556 S601 | Y485-S527 WeakPolarHBondContact CA-O 3.44Å; Y485-S527 PolarHBondContact O-N 3.16Å; S527-Q553 PolarHBondContact OG-OE1 3.05Å; S527-K556 PolarHBondContact OG-NZ 3.03Å; S527-S601 PolarHBondContact OG-O 3.2Å | ||
| 528 | L | 79.3 | Confident | 61.3 | Low | 8 Ų | 8 | 64 Ų | 64 | 4% | 0.042 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 135.5 | 166.5 | -60.3 | 177.4 | 0 | 0 | 0 | 110 | Y485 K556 L587 W595 L598 A599 | Y485-L528 HydrophobicContact CD1-CD2 3.63Å; Y485-L528 HydrophobicContact CD2-CD2 3.82Å; Y485-L528 HydrophobicContact CE1-CD2 3.66Å; Y485-L528 HydrophobicContact CE2-CD2 3.86Å; Y485-L528 HydrophobicContact CG-CD2 3.71Å; L528-K556 PolarHBondContact O-NZ 2.9Å; L528-L587 HydrophobicContact CD2-CD2 4.13Å; L528-W595 HydrophobicContact CD1-CB 4.38Å; L528-W595 HydrophobicContact CD1-CD2 4.05Å; L528-W595 HydrophobicContact CD1-CE3 3.48Å; L528-W595 VanDerWaalsContact CD1-CE3 3.48Å; L528-W595 HydrophobicContact CD1-CG 4.47Å; L528-W595 HydrophobicContact CD1-CZ3 4.08Å; L528-W595 WeakPolarHBondContact CD1-O 3.36Å; L528-W595 HydrophobicContact CD2-CD2 4.38Å; L528-W595 HydrophobicContact CD2-CE3 4.03Å; L528-W595 HydrophobicContact CD2-CH2 4.37Å; L528-W595 HydrophobicContact CD2-CZ3 4.02Å; L528-W595 HydrophobicContact CG-CE3 4.43Å; L528-L598 HydrophobicContact CD1-CB 4.43Å; L528-L598 HydrophobicContact CG-CB 3.94Å; L528-L598 PolarHBondContact N-O 3.48Å; L528-L598 VanDerWaalsContact N-O 3.1Å; L528-A599 HydrophobicContact CD1-CB 4.13Å |
| 529 | P | 66 | Low | 59.9 | Low | 67 Ų | 67 | 64.7 Ų | 64.7 | 44% | 0.435 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 162.3 | 165.8 | 29 | -35.2 | 0 | 0 | 0 | 110.7 | Y485 Y531 | Y485-P529 HydrophobicContact CD1-CG 4.36Å; Y485-P529 VanDerWaalsContact CE1-CD 3.41Å; Y485-P529 HydrophobicContact CE1-CG 4.03Å; P529-Y531 PolarHBondContact O-N 2.74Å |
| 530 | H | 57 | Low | 58.2 | Low | 48 Ų | 48 | 72.1 Ų | 72.1 | 22% | 0.222 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 131.1 | -176.9 | -68.5 | 71.1 | 0 | 0 | 0 | 111.1 | S532 H533 D555 R916 | H530-S532 PolarHBondContact O-N 2.98Å; H530-S532 VanDerWaalsContact O-N 3.14Å; H530-H533 PolarHBondContact O-N 2.97Å; H530-D555 IonicContact CD2-OD1 3.53Å; H530-D555 IonicContact CD2-OD2 2.71Å; H530-D555 IonicContact CE1-OD1 2.69Å; H530-D555 PolarHBondContact CE1-OD1 3.41Å; H530-D555 IonicContact NE2-OD1 3.37Å; H530-D555 PolarHBondContact NE2-OD1 3.05Å; H530-D555 VanDerWaalsContact NE2-OD1 3.1Å; H530-D555 IonicContact NE2-OD2 3.91Å; H530-R916 VanDerWaalsContact CD2-CZ 3.41Å; H530-R916 PolarHBondContact CD2-NH1 3.04Å; H530-R916 WeakPolarHBondContact NE2-CD 3.24Å; H530-R916 PolarHBondContact NE2-NH1 3.41Å |
| 531 | Y | 45.8 | Very low | 56.1 | Low | 157 Ų | 157 | 76.7 Ų | 76.7 | 62% | 0.616 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -25.6 | -174.5 | -126.3 | -97.7 | 0 | 0 | 0 | 114.3 | P529 H533 | P529-Y531 PolarHBondContact O-N 2.74Å; Y531-H533 PolarHBondContact O-N 3.32Å |
| 532 | S | 38.3 | Very low | 53.6 | Low | 76 Ų | 76 | 83.2 Ų | 83.2 | 53% | 0.531 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -0.1 | -173.3 | 50.1 | 0 | 0 | 0 | 0 | 115.8 | H530 | H530-S532 PolarHBondContact O-N 2.98Å; H530-S532 VanDerWaalsContact O-N 3.14Å |
| 533 | H | 31 | Very low | 51.3 | Low | 132 Ų | 132 | 89 Ų | 89 | 61% | 0.611 | 47% | 0.465 | S | S | * | . | trans | -129.4 | 68.3 | 177 | -69.7 | -25.2 | 0 | 0 | 0 | 112.7 | H530 Y531 I535 | H530-H533 PolarHBondContact O-N 2.97Å; Y531-H533 PolarHBondContact O-N 3.32Å; H533-I535 VanDerWaalsContact C-N 3.25Å | ||
| 534 | I | 28.2 | Very low | 48.9 | Very low | 154 Ų | 154 | 95.8 Ų | 95.8 | 79% | 0.79 | 50% | 0.502 | S | S | * | . | trans | -95.4 | 59.9 | 151.4 | -46.9 | -178.9 | 0 | 0 | 0 | 108.2 | ||||
| 535 | I | 27.7 | Very low | 46.3 | Very low | 125 Ų | 125 | 102.9 Ų | 102.9 | 64% | 0.641 | 54% | 0.54 | S | S | * | . | trans | -83.1 | 124.5 | 155.6 | -61.9 | 176.5 | 0 | 0 | 0 | 104.8 | H533 I537 | H533-I535 VanDerWaalsContact C-N 3.25Å; I535-I537 PolarHBondContact O-N 2.93Å | ||
| 536 | P | 27.1 | Very low | 43.9 | Very low | 110 Ų | 110 | 110 Ų | 110 | 71% | 0.714 | 58% | 0.577 | S | S | * | * | trans | -66.8 | 101.4 | 174.3 | 27.6 | -32.6 | 0 | 0 | 0 | 108.7 | N538 | P536-N538 PolarHBondContact O-N 3.27Š| ||
| 537 | I | 29.9 | Very low | 41.6 | Very low | 135 Ų | 135 | 115.7 Ų | 115.7 | 69% | 0.692 | 61% | 0.613 | S | S | * | * | trans | -59.6 | 129.9 | 159.3 | -63 | 175.5 | 0 | 0 | 0 | 105.7 | I535 D539 | I535-I537 PolarHBondContact O-N 2.93Å; I537-D539 VanDerWaalsContact C-N 3.25Å; I537-D539 PolarHBondContact O-N 3.25Å | ||
| 538 | N | 33.2 | Very low | 39.7 | Very low | 146 Ų | 146 | 121.9 Ų | 121.9 | 78% | 0.781 | 64% | 0.642 | S | S | * | * | trans | -70.6 | 87.7 | 174.5 | -84 | -29.8 | 0 | 0 | 0 | 108.9 | P536 Q540 | P536-N538 PolarHBondContact O-N 3.27Å; N538-Q540 PolarHBondContact O-N 3.41Å | ||
| 539 | D | 30.7 | Very low | 38.6 | Very low | 126 Ų | 126 | 128.3 Ų | 128.3 | 67% | 0.674 | 67% | 0.67 | S | S | * | * | trans | -67.7 | 80.3 | 171.9 | -72.1 | -32.6 | 0 | 0 | 0 | 109.7 | I537 | I537-D539 VanDerWaalsContact C-N 3.25Å; I537-D539 PolarHBondContact O-N 3.25Å | ||
| 540 | Q | 35.9 | Very low | 38.6 | Very low | 178 Ų | 178 | 126.4 Ų | 126.4 | 83% | 0.832 | 66% | 0.656 | S | S | * | * | trans | -119 | 19.4 | 164.4 | -69.8 | -141.6 | -36.2 | 0 | 0 | 111.7 | N538 | N538-Q540 PolarHBondContact O-N 3.41Š| ||
| 541 | N | 36.5 | Very low | 39.2 | Very low | 137 Ų | 137 | 131.3 Ų | 131.3 | 73% | 0.733 | 68% | 0.679 | S | S | * | * | trans | -130.2 | 55.3 | 175.3 | -80.9 | -62.8 | 0 | 0 | 0 | 110.8 | N543 | N541-N543 PolarHBondContact O-N 2.88Š| ||
| 542 | D | 32.3 | Very low | 40.8 | Very low | 136 Ų | 136 | 125.3 Ų | 125.3 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | trans | -64.7 | 67.5 | 167.5 | -78.4 | -37.7 | 0 | 0 | 0 | 111.5 | D544 | D542-D544 VanDerWaalsContact C-N 3.31Å; D542-D544 PolarHBondContact O-N 2.98Å | ||
| 543 | N | 38.1 | Very low | 42.8 | Very low | 122 Ų | 122 | 123.6 Ų | 123.6 | 65% | 0.652 | 64% | 0.643 | S | S | * | * | trans | -85.2 | 83.6 | 162 | -79.6 | -67.5 | 0 | 0 | 0 | 107.6 | N541 N545 | N541-N543 PolarHBondContact O-N 2.88Å; N543-N545 PolarHBondContact O-N 2.82Å | ||
| 544 | D | 38.1 | Very low | 45.2 | Very low | 143 Ų | 143 | 119.3 Ų | 119.3 | 77% | 0.765 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | 23.4 | -161.3 | -147.3 | 2.2 | 0 | 0 | 0 | 116.8 | D542 | D542-D544 VanDerWaalsContact C-N 3.31Å; D542-D544 PolarHBondContact O-N 2.98Å |
| 545 | N | 35 | Very low | 47.6 | Very low | 150 Ų | 150 | 112.3 Ų | 112.3 | 80% | 0.802 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.4 | 0.5 | -176.4 | -78.5 | -71.5 | 0 | 0 | 0 | 114.7 | N543 T547 | N543-N545 PolarHBondContact O-N 2.82Å; N545-T547 VanDerWaalsContact C-N 3.31Å; N545-T547 PolarHBondContact O-N 3.2Å |
| 546 | N | 37.2 | Very low | 50.3 | Low | 149 Ų | 149 | 106.5 Ų | 106.5 | 80% | 0.797 | 56% | 0.556 | S | S | * | * | trans | -75.2 | 81.3 | 174 | -85.6 | -26.7 | 0 | 0 | 0 | 111.1 | M548 | N546-M548 PolarHBondContact O-N 3.18Š| ||
| 547 | T | 40.4 | Very low | 53.3 | Low | 121 Ų | 121 | 101.2 Ų | 101.2 | 74% | 0.742 | 52% | 0.522 | S | S | * | . | trans | -55 | 110.2 | 173 | 57.4 | 0 | 0 | 0 | 0 | 110.2 | N545 K549 | N545-T547 VanDerWaalsContact C-N 3.31Å; N545-T547 PolarHBondContact O-N 3.2Å; T547-K549 PolarHBondContact O-N 3.41Å | ||
| 548 | M | 46.8 | Very low | 56.2 | Low | 139 Ų | 139 | 95.4 Ų | 95.4 | 69% | 0.685 | 49% | 0.492 | S | S | * | . | trans | -58.5 | 105.8 | 175.6 | -77.2 | 177 | 63.8 | 0 | 0 | 109.8 | T487 N546 L550 | T487-M548 HydrophobicContact CG2-CB 4.41Å; N546-M548 PolarHBondContact O-N 3.18Å; M548-L550 PolarHBondContact O-N 2.73Å | ||
| 549 | K | 55.2 | Low | 59.1 | Low | 144 Ų | 144 | 88.5 Ų | 88.5 | 63% | 0.626 | 46% | 0.455 | S | S | * | . | trans | -67.2 | 130.2 | 172.5 | -71.6 | -174.2 | 177.2 | -178.4 | 0 | 109.1 | T547 Q551 | T547-K549 PolarHBondContact O-N 3.41Å; K549-Q551 PolarHBondContact O-N 3.22Å | ||
| 550 | L | 65.5 | Low | 62.1 | Low | 26 Ų | 26 | 82.5 Ų | 82.5 | 14% | 0.136 | 42% | 0.423 | C | S | . | . | trans | -69 | 76.5 | 176.6 | -171.8 | 69.8 | 0 | 0 | 0 | 110.8 | M548 Q602 L604 F662 | M548-L550 PolarHBondContact O-N 2.73Å; L550-Q602 HydrophobicContact CD1-CG 4.34Å; L550-Q602 VanDerWaalsContact CD1-NE2 3.3Å; L550-L604 HydrophobicContact CD2-CB 4.4Å; L550-L604 HydrophobicContact CD2-CD1 4.1Å; L550-F662 HydrophobicContact CD2-CD2 3.82Å; L550-F662 HydrophobicContact CD2-CE2 3.53Å; L550-F662 HydrophobicContact CD2-CZ 4.48Å; L550-F662 HydrophobicContact CG-CD2 4.15Å; L550-F662 HydrophobicContact CG-CE2 3.96Å | ||
| 551 | Q | 70.4 | Confident | 64.9 | Low | 152 Ų | 152 | 74.1 Ų | 74.1 | 71% | 0.71 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -65 | 145.8 | 175.4 | -70.3 | -174.3 | -11.3 | 0 | 0 | 110.8 | K549 Q553 Q602 | K549-Q551 PolarHBondContact O-N 3.22Å; Q551-Q553 PolarHBondContact O-N 2.82Å; Q551-Q602 PolarHBondContact O-NE2 2.76Å |
| 552 | P | 78.9 | Confident | 67.6 | Low | 31 Ų | 31 | 67.7 Ų | 67.7 | 20% | 0.201 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 119.2 | 179 | 26.8 | -34.5 | 0 | 0 | 0 | 110.6 | F554 E661 | P552-F554 HydrophobicContact CG-CE2 4.18Å; P552-F554 WeakPolarHBondContact O-CD2 3.33Å; P552-E661 WeakPolarHBondContact CG-O 3.32Å |
| 553 | Q | 80.4 | Confident | 70.4 | Confident | 40 Ų | 40 | 61.2 Ų | 61.2 | 19% | 0.187 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -81.6 | 121.8 | 175.3 | -67.7 | -176.3 | -11.2 | 0 | 0 | 109.1 | S527 Q551 K556 R558 | S527-Q553 PolarHBondContact OG-OE1 3.05Å; Q551-Q553 PolarHBondContact O-N 2.82Å; Q553-K556 HydrophobicContact CB-CB 4.42Å; Q553-K556 HydrophobicContact CB-CD 4.36Å; Q553-K556 HydrophobicContact CB-CG 4.42Å; Q553-K556 VanDerWaalsContact OE1-CD 3.32Å; Q553-R558 PolarHBondContact O-NH1 3.2Å |
| 554 | F | 81.6 | Confident | 72.6 | Confident | 42 Ų | 42 | 55.4 Ų | 55.4 | 18% | 0.184 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -10.5 | -171.9 | -83 | -92 | 0 | 0 | 0 | 114.1 | P552 N911 R916 F917 C918 | P552-F554 HydrophobicContact CG-CE2 4.18Å; P552-F554 WeakPolarHBondContact O-CD2 3.33Å; F554-N911 HydrophobicContact CB-CB 4.05Å; F554-N911 HydrophobicContact CD1-CB 4.13Å; F554-N911 HydrophobicContact CD2-CB 4.21Å; F554-N911 VanDerWaalsContact CD2-ND2 3.27Å; F554-N911 WeakPolarHBondContact CD2-ND2 3.47Å; F554-N911 WeakPolarHBondContact CE2-ND2 3.49Å; F554-N911 HydrophobicContact CG-CB 3.86Å; F554-R916 HydrophobicContact CB-CB 4.2Å; F554-F917 CarbonylContact O-C 3.54Å; F554-F917 WeakPolarHBondContact O-CA 3.38Å; F554-C918 WeakPolarHBondContact O-CB 3.49Å; F554-C918 PolarHBondContact O-N 2.98Å; F554-C918 VanDerWaalsContact O-N 3.08Å |
| 555 | D | 78.3 | Confident | 74.6 | Confident | 6 Ų | 6 | 48.9 Ų | 48.9 | 3% | 0.032 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -4.7 | 171.8 | 66.5 | -49.1 | 0 | 0 | 0 | 113.1 | H530 C847 C918 R960 | H530-D555 IonicContact CD2-OD1 3.53Å; H530-D555 IonicContact CD2-OD2 2.71Å; H530-D555 IonicContact CE1-OD1 2.69Å; H530-D555 PolarHBondContact CE1-OD1 3.41Å; H530-D555 IonicContact NE2-OD1 3.37Å; H530-D555 PolarHBondContact NE2-OD1 3.05Å; H530-D555 VanDerWaalsContact NE2-OD1 3.1Å; H530-D555 IonicContact NE2-OD2 3.91Å; D555-C847 VanDerWaalsContact O-CB 3.29Å; D555-C847 WeakPolarHBondContact O-CB 3.26Å; D555-C918 PolarHBondContact O-SG 2.89Å; D555-R960 PolarHBondContact O-NH2 3.37Å; D555-R960 IonicContact OD2-CZ 3.58Å; D555-R960 IonicContact OD2-NH1 3.9Å; D555-R960 PolarHBondContact OD2-NH1 2.77Å; D555-R960 IonicContact OD2-NH2 2.78Å; D555-R960 PolarHBondContact OD2-NH2 3.04Å |
| 556 | K | 86 | Confident | 76.3 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 1% | 0.013 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -124.3 | 150.6 | -170.4 | -64.9 | -171.4 | -163.7 | -173.4 | 0 | 114.1 | S527 L528 Q553 R558 L598 A599 T600 Q602 H665 C918 | S527-K556 PolarHBondContact OG-NZ 3.03Å; L528-K556 PolarHBondContact O-NZ 2.9Å; Q553-K556 HydrophobicContact CB-CB 4.42Å; Q553-K556 HydrophobicContact CB-CD 4.36Å; Q553-K556 HydrophobicContact CB-CG 4.42Å; Q553-K556 VanDerWaalsContact OE1-CD 3.32Å; K556-R558 PolarHBondContact O-NH1 2.85Å; K556-L598 PolarHBondContact NZ-O 3.14Å; K556-A599 WeakPolarHBondContact CD-O 3.43Å; K556-A599 WeakPolarHBondContact CE-O 3.35Å; K556-A599 WeakPolarHBondContact CG-O 3.38Å; K556-T600 WeakPolarHBondContact CA-O 3.42Å; K556-T600 WeakPolarHBondContact CB-O 3.11Å; K556-Q602 HydrophobicContact CD-CB 4.5Å; K556-H665 PolarHBondContact O-CE1 3.06Å; K556-C918 VanDerWaalsContact CA-SG 3.57Å |
| 557 | I | 88.9 | Confident | 77.7 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 148.7 | 160.7 | -58.4 | -58.2 | 0 | 0 | 0 | 108.7 | I559 T600 S601 Q602 H665 V841 C918 L920 | I557-I559 HydrophobicContact CG2-CD1 4.46Å; I557-I559 HydrophobicContact CG2-CG1 4.07Å; I557-T600 PolarHBondContact N-O 2.78Å; I557-T600 VanDerWaalsContact N-O 3.12Å; I557-S601 CarbonylContact O-C 3.54Å; I557-S601 VanDerWaalsContact O-CA 3.23Å; I557-S601 WeakPolarHBondContact O-CA 3.49Å; I557-Q602 PolarHBondContact O-N 2.96Å; I557-H665 HydrophobicContact CG2-CB 4.29Å; I557-V841 HydrophobicContact CB-CG1 4.34Å; I557-V841 HydrophobicContact CG2-CG1 3.62Å; I557-C918 PolarHBondContact N-SG 3.47Å; I557-C918 VanDerWaalsContact N-SG 3.43Å; I557-L920 HydrophobicContact CD1-CD2 3.58Å; I557-L920 HydrophobicContact CD1-CG 3.84Å; I557-L920 HydrophobicContact CG1-CD2 4.08Å |
| 558 | R | 91.3 | Very high | 78.9 | Confident | 13 Ų | 13 | 34.7 Ų | 34.7 | 5% | 0.049 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 117 | -169.9 | -61.6 | -172.1 | -65.6 | -72.7 | -15.5 | 108.4 | Q553 K556 Q602 F662 Q663 H665 L666 | Q553-R558 PolarHBondContact O-NH1 3.2Å; K556-R558 PolarHBondContact O-NH1 2.85Å; R558-Q602 WeakPolarHBondContact CA-O 3.4Å; R558-Q602 VanDerWaalsContact CD-OE1 3.28Å; R558-Q602 HydrophobicContact CG-CB 4.05Å; R558-F662 HydrophobicContact CB-CD1 4.42Å; R558-F662 HydrophobicContact CB-CE1 3.89Å; R558-F662 HydrophobicContact CB-CZ 4.08Å; R558-F662 WeakPolarHBondContact CD-O 3.49Å; R558-F662 PolarHBondContact NE-O 2.86Å; R558-F662 VanDerWaalsContact NE-O 3.09Å; R558-Q663 VanDerWaalsContact CZ-O 3.29Å; R558-Q663 PolarHBondContact NE-O 3.11Å; R558-Q663 PolarHBondContact NH2-O 3.28Å; R558-H665 PolarHBondContact N-ND1 3.22Å; R558-H665 PolarHBondContact NH1-CE1 3.23Å; R558-H665 VanDerWaalsContact NH1-CE1 3.28Å; R558-H665 PolarHBondContact NH2-CE1 3.09Å; R558-H665 PolarHBondContact NH2-NE2 2.81Å; R558-H665 PolarHBondContact O-N 3.13Å; R558-L666 PolarHBondContact O-N 2.86Å |
| 559 | I | 94 | Very high | 80.2 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 130.4 | -165.4 | -47.2 | 178.7 | 0 | 0 | 0 | 109.8 | I557 Q602 L603 L604 L666 I668 F838 V841 | I557-I559 HydrophobicContact CG2-CD1 4.46Å; I557-I559 HydrophobicContact CG2-CG1 4.07Å; I559-Q602 PolarHBondContact N-O 3.1Å; I559-L603 HydrophobicContact CB-CD2 3.89Å; I559-L603 HydrophobicContact CD1-CD2 4.01Å; I559-L603 HydrophobicContact CG1-CD2 4.28Å; I559-L603 CarbonylContact O-C 3.55Å; I559-L603 WeakPolarHBondContact O-CA 3.38Å; I559-L604 PolarHBondContact O-N 2.81Å; I559-L666 VanDerWaalsContact CA-O 3.32Å; I559-L666 WeakPolarHBondContact CA-O 3.42Å; I559-L666 HydrophobicContact CG1-CB 4.46Å; I559-L666 HydrophobicContact CG2-CB 4.35Å; I559-L666 HydrophobicContact CG2-CD2 4.18Å; I559-L666 HydrophobicContact CG2-CG 4.24Å; I559-I668 HydrophobicContact CG2-CD1 4.08Å; I559-I668 HydrophobicContact CG2-CG1 4.45Å; I559-F838 HydrophobicContact CD1-CD1 4.19Å; I559-F838 HydrophobicContact CD1-CE1 4.39Å; I559-V841 HydrophobicContact CD1-CG1 4.09Å |
| 560 | V | 94.2 | Very high | 81.2 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 138.7 | 173.2 | -177 | 0 | 0 | 0 | 0 | 110 | L562 L604 F662 P664 L666 I667 I668 | V560-L562 HydrophobicContact CG1-CD2 3.76Å; V560-L562 HydrophobicContact CG1-CG 4.15Å; V560-L604 CarbonylContact C-O 3.55Å; V560-L604 WeakPolarHBondContact CA-O 3.45Å; V560-L604 HydrophobicContact CG2-CB 4.39Å; V560-L604 HydrophobicContact CG2-CD2 4.45Å; V560-F662 HydrophobicContact CG2-CD1 3.79Å; V560-F662 HydrophobicContact CG2-CE1 3.84Å; V560-P664 HydrophobicContact CG2-CB 3.98Å; V560-P664 HydrophobicContact CG2-CG 4.37Å; V560-L666 PolarHBondContact N-O 3.39Å; V560-I667 HydrophobicContact CB-CG1 4.22Å; V560-I667 HydrophobicContact CB-CG2 4.25Å; V560-I667 CarbonylContact O-C 3.59Å; V560-I667 WeakPolarHBondContact O-CA 3.22Å; V560-I668 PolarHBondContact O-N 3.28Å |
| 561 | I | 94.8 | Very high | 81.9 | Confident | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 127.4 | 175.7 | -51.3 | -179.4 | 0 | 0 | 0 | 109.1 | L579 L604 I605 F606 I668 L670 F838 | I561-L579 HydrophobicContact CD1-CD2 4.15Å; I561-L604 PolarHBondContact N-O 3.21Å; I561-I605 HydrophobicContact CB-CG1 4.2Å; I561-I605 HydrophobicContact CB-CG2 4.34Å; I561-I605 HydrophobicContact CD1-CD1 4.21Å; I561-I605 HydrophobicContact CD1-CG1 4.19Å; I561-I605 HydrophobicContact CG1-CG1 4.4Å; I561-I605 CarbonylContact O-C 3.05Å; I561-I605 WeakPolarHBondContact O-CA 3.48Å; I561-F606 PolarHBondContact O-N 2.93Å; I561-I668 CarbonylContact C-O 3.4Å; I561-I668 WeakPolarHBondContact CA-O 3.46Å; I561-L670 HydrophobicContact CG2-CD1 3.84Å; I561-L670 HydrophobicContact CG2-CD2 4.5Å; I561-L670 HydrophobicContact CG2-CG 3.94Å; I561-F838 HydrophobicContact CD1-CE1 4.42Å; I561-F838 HydrophobicContact CD1-CZ 3.95Å |
| 562 | L | 92.6 | Very high | 82.6 | Confident | 2 Ų | 2 | 14.3 Ų | 14.3 | 1% | 0.01 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 133.6 | -176.7 | -55.6 | 180 | 0 | 0 | 0 | 111 | V560 F606 L609 I667 I668 T669 L670 L754 | V560-L562 HydrophobicContact CG1-CD2 3.76Å; V560-L562 HydrophobicContact CG1-CG 4.15Å; L562-F606 HydrophobicContact CD2-CB 3.98Å; L562-F606 HydrophobicContact CD2-CD2 3.54Å; L562-F606 HydrophobicContact CD2-CE2 4.37Å; L562-F606 HydrophobicContact CD2-CG 4.05Å; L562-L609 HydrophobicContact CB-CD1 4.18Å; L562-L609 HydrophobicContact CD2-CD1 4.4Å; L562-I667 HydrophobicContact CD1-CG2 4.45Å; L562-I668 PolarHBondContact N-O 2.89Å; L562-T669 HydrophobicContact CD1-CG2 4.5Å; L562-T669 CarbonylContact O-C 3.57Å; L562-L670 PolarHBondContact O-N 2.68Å; L562-L754 HydrophobicContact CD1-CD1 3.58Å; L562-L754 HydrophobicContact CD1-CD2 3.93Å; L562-L754 HydrophobicContact CD1-CG 4.44Å |
| 563 | A | 90.7 | Very high | 83 | Confident | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.062 | C | C | . | . | trans | -140.2 | 166.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L565 A576 F606 P607 Y608 L609 L670 | A563-L565 PolarHBondContact O-N 2.92Å; A563-A576 HydrophobicContact CB-CB 3.68Å; A563-F606 PolarHBondContact N-O 3.06Å; A563-P607 WeakPolarHBondContact CB-O 3.19Å; A563-Y608 CarbonylContact O-C 3.43Å; A563-Y608 WeakPolarHBondContact O-CA 3.27Å; A563-L609 PolarHBondContact O-N 3.2Å; A563-L670 HydrophobicContact CB-CB 4.05Å; A563-L670 HydrophobicContact CB-CD1 4.25Å | ||
| 564 | G | 84.5 | Confident | 83.3 | Confident | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.054 | C | C | . | . | trans | 57 | 48.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | N566 S572 T573 L609 D610 | G564-N566 VanDerWaalsContact C-N 3.27Å; G564-N566 PolarHBondContact O-N 2.92Å; G564-S572 PolarHBondContact N-OG 3.49Å; G564-S572 VanDerWaalsContact N-OG 3.08Å; G564-T573 WeakPolarHBondContact CA-OG1 3.5Å; G564-L609 WeakPolarHBondContact O-CA 3.47Å; G564-L609 WeakPolarHBondContact O-CB 3.36Å; G564-L609 PolarHBondContact O-N 2.89Å; G564-D610 PolarHBondContact O-N 2.79Å; G564-D610 VanDerWaalsContact O-N 3.07Å | ||
| 565 | L | 79.4 | Confident | 83.7 | Confident | 6 Ų | 6 | 9.2 Ų | 9.2 | 3% | 0.031 | 5% | 0.046 | C | C | . | . | trans | -63.9 | -31.7 | -173.8 | -78.3 | 154.5 | 0 | 0 | 0 | 112.8 | A563 L609 N647 F650 T669 E671 | A563-L565 PolarHBondContact O-N 2.92Å; L565-L609 HydrophobicContact CD2-CD1 3.65Å; L565-L609 HydrophobicContact CG-CD1 4.3Å; L565-N647 PolarHBondContact O-ND2 3.23Å; L565-N647 VanDerWaalsContact O-ND2 3.13Å; L565-F650 HydrophobicContact CD2-CZ 3.86Å; L565-T669 HydrophobicContact CD1-CG2 4.45Å; L565-E671 HydrophobicContact CD1-CG 3.69Å | ||
| 566 | N | 72.2 | Confident | 84.3 | Confident | 37 Ų | 37 | 8.9 Ų | 8.9 | 20% | 0.198 | 5% | 0.045 | C | C | . | . | S | Bend | trans | -142.1 | 165.3 | 170 | 70.9 | 22.7 | 0 | 0 | 0 | 111.9 | G564 K568 Q569 D644 | G564-N566 VanDerWaalsContact C-N 3.27Å; G564-N566 PolarHBondContact O-N 2.92Å; N566-K568 PolarHBondContact O-N 2.86Å; N566-Q569 PolarHBondContact O-N 3Å; N566-Q569 VanDerWaalsContact O-N 3.1Å; N566-D644 PolarHBondContact ND2-OD1 3.46Å |
| 567 | S | 66.9 | Low | 84.5 | Confident | 23 Ų | 23 | 8.8 Ų | 8.8 | 16% | 0.161 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -36.7 | -39.6 | -177.6 | 56.2 | 0 | 0 | 0 | 0 | 116.9 | D610 G613 S617 | S567-D610 VanDerWaalsContact CA-OD2 3.23Å; S567-D610 WeakPolarHBondContact CA-OD2 3.32Å; S567-D610 WeakPolarHBondContact CB-OD2 3.39Å; S567-D610 PolarHBondContact N-OD2 2.78Å; S567-G613 VanDerWaalsContact CB-CA 3.41Å; S567-S617 PolarHBondContact O-OG 2.94Å; S567-S617 VanDerWaalsContact O-OG 3.08Å |
| 568 | K | 65.1 | Low | 84.7 | Confident | 62 Ų | 62 | 8.8 Ų | 8.8 | 27% | 0.27 | 4% | 0.044 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -7.2 | -168.7 | -64.6 | 156.2 | -169.1 | 167.6 | 0 | 113.1 | N566 L570 V642 H808 | N566-K568 PolarHBondContact O-N 2.86Å; K568-L570 VanDerWaalsContact C-N 3.33Å; K568-L570 PolarHBondContact O-N 2.88Å; K568-L570 VanDerWaalsContact O-N 3.17Å; K568-V642 PolarHBondContact NZ-O 2.79Å; K568-H808 WeakPolarHBondContact CB-NE2 3.49Å |
| 569 | Q | 72.8 | Confident | 84.8 | Confident | 12 Ų | 12 | 8.2 Ų | 8.2 | 6% | 0.056 | 4% | 0.042 | C | C | . | . | trans | -86 | 39.8 | -175.3 | -65.3 | -169.4 | -8.6 | 0 | 0 | 115.4 | N566 I571 S572 T573 | N566-Q569 PolarHBondContact O-N 3Å; N566-Q569 VanDerWaalsContact O-N 3.1Å; Q569-I571 PolarHBondContact O-N 2.69Å; Q569-S572 PolarHBondContact O-N 3.03Å; Q569-S572 PolarHBondContact O-OG 3.35Å; Q569-S572 PolarHBondContact OE1-OG 3.27Å; Q569-T573 PolarHBondContact O-N 3.38Å | ||
| 570 | L | 77 | Confident | 84.6 | Confident | 7 Ų | 7 | 8.3 Ų | 8.3 | 4% | 0.037 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -47.8 | -35.9 | 178.1 | -67.7 | -178.1 | 0 | 0 | 0 | 113.8 | K568 E574 I614 V621 Y817 | K568-L570 VanDerWaalsContact C-N 3.33Å; K568-L570 PolarHBondContact O-N 2.88Å; K568-L570 VanDerWaalsContact O-N 3.17Å; L570-E574 PolarHBondContact O-N 3.39Å; L570-I614 HydrophobicContact CD2-CB 4.28Å; L570-I614 HydrophobicContact CD2-CG1 4.31Å; L570-I614 HydrophobicContact CD2-CG2 3.85Å; L570-V621 HydrophobicContact CD1-CG2 4.27Å; L570-Y817 HydrophobicContact CD1-CD1 4.27Å; L570-Y817 HydrophobicContact CD1-CE1 3.9Å |
| 571 | I | 80.4 | Confident | 84.5 | Confident | 13 Ų | 13 | 9.6 Ų | 9.6 | 7% | 0.067 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -67.2 | -43.5 | -179.4 | -63.4 | 174.6 | 0 | 0 | 0 | 112.1 | Q569 T573 E574 I575 L818 L826 | Q569-I571 PolarHBondContact O-N 2.69Å; I571-T573 VanDerWaalsContact C-N 3.32Å; I571-T573 PolarHBondContact O-N 2.94Å; I571-E574 PolarHBondContact O-N 3.19Å; I571-I575 HydrophobicContact CG2-CG1 4.33Å; I571-I575 WeakPolarHBondContact O-CB 3.4Å; I571-I575 VanDerWaalsContact O-CG1 3.23Å; I571-I575 WeakPolarHBondContact O-CG1 3.3Å; I571-I575 PolarHBondContact O-N 3.25Å; I571-L818 HydrophobicContact CD1-CB 4.31Å; I571-L818 HydrophobicContact CD1-CD2 4.28Å; I571-L826 HydrophobicContact CG2-CD2 3.71Å |
| 572 | S | 85.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -71.5 | -30.8 | -178.3 | 71.2 | 0 | 0 | 0 | 0 | 111.8 | G564 Q569 A576 L670 | G564-S572 PolarHBondContact N-OG 3.49Å; G564-S572 VanDerWaalsContact N-OG 3.08Å; Q569-S572 PolarHBondContact O-N 3.03Å; Q569-S572 PolarHBondContact O-OG 3.35Å; Q569-S572 PolarHBondContact OE1-OG 3.27Å; S572-A576 VanDerWaalsContact O-CB 3.32Å; S572-A576 WeakPolarHBondContact O-CB 3.38Å; S572-A576 PolarHBondContact O-N 3.22Å; S572-L670 WeakPolarHBondContact CB-O 3.18Å; S572-L670 PolarHBondContact OG-O 3.43Å |
| 573 | T | 86.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -67.2 | -45.7 | 170 | -67.8 | 0 | 0 | 0 | 0 | 112.8 | Y467 G564 Q569 I571 I575 A576 I577 P607 Y608 I614 | Y467-T573 HydrophobicContact CD1-CG2 4.08Å; Y467-T573 HydrophobicContact CE1-CG2 3.83Å; G564-T573 WeakPolarHBondContact CA-OG1 3.5Å; Q569-T573 PolarHBondContact O-N 3.38Å; I571-T573 VanDerWaalsContact C-N 3.32Å; I571-T573 PolarHBondContact O-N 2.94Å; T573-I575 VanDerWaalsContact C-N 3.32Å; T573-I575 PolarHBondContact O-N 2.93Å; T573-A576 PolarHBondContact O-N 3.44Å; T573-A576 VanDerWaalsContact O-N 3.16Å; T573-I577 WeakPolarHBondContact O-CG1 3.18Å; T573-I577 PolarHBondContact O-N 2.83Å; T573-P607 VanDerWaalsContact CA-O 3.28Å; T573-P607 WeakPolarHBondContact CA-O 3.22Å; T573-P607 VanDerWaalsContact CB-O 3.31Å; T573-P607 WeakPolarHBondContact CB-O 3.45Å; T573-P607 WeakPolarHBondContact CG2-O 3.48Å; T573-P607 PolarHBondContact OG1-O 3.42Å; T573-Y608 HydrophobicContact CG2-CD1 4.06Å; T573-I614 HydrophobicContact CG2-CD1 4.41Å; T573-I614 WeakPolarHBondContact OG1-CD1 3.36Å |
| 574 | E | 86.6 | Confident | 84.1 | Confident | 1 Ų | 1 | 11.2 Ų | 11.2 | 1% | 0.005 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -60 | -42.7 | 174.6 | -178.5 | 62 | -155.6 | 0 | 0 | 111.4 | L570 I571 A576 I577 R578 L823 | L570-E574 PolarHBondContact O-N 3.39Å; I571-E574 PolarHBondContact O-N 3.19Å; E574-A576 PolarHBondContact O-N 3.25Å; E574-I577 PolarHBondContact O-N 3.2Å; E574-R578 WeakPolarHBondContact O-CB 3.41Å; E574-R578 VanDerWaalsContact O-CG 3.22Å; E574-R578 WeakPolarHBondContact O-CG 3.37Å; E574-R578 PolarHBondContact O-N 3.04Å; E574-R578 IonicContact OE1-CZ 3.16Å; E574-R578 IonicContact OE1-NE 2.87Å; E574-R578 PolarHBondContact OE1-NE 2.91Å; E574-R578 IonicContact OE1-NH2 2.66Å; E574-R578 PolarHBondContact OE1-NH2 2.67Å; E574-R578 VanDerWaalsContact OE1-NH2 3.13Å; E574-L823 HydrophobicContact CG-CD1 4.49Å; E574-L823 HydrophobicContact CG-CD2 4.3Å |
| 575 | I | 89.3 | Confident | 84.2 | Confident | 5 Ų | 5 | 12.1 Ų | 12.1 | 3% | 0.026 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62.9 | -39.3 | 174.3 | -69.1 | -70.3 | 0 | 0 | 0 | 111.9 | I571 T573 R578 L579 T805 L826 W827 T830 | I571-I575 HydrophobicContact CG2-CG1 4.33Å; I571-I575 WeakPolarHBondContact O-CB 3.4Å; I571-I575 VanDerWaalsContact O-CG1 3.23Å; I571-I575 WeakPolarHBondContact O-CG1 3.3Å; I571-I575 PolarHBondContact O-N 3.25Å; T573-I575 VanDerWaalsContact C-N 3.32Å; T573-I575 PolarHBondContact O-N 2.93Å; I575-R578 PolarHBondContact O-N 2.73Å; I575-L579 WeakPolarHBondContact O-CB 3.2Å; I575-L579 PolarHBondContact O-N 2.97Å; I575-T805 HydrophobicContact CG2-CG2 4.35Å; I575-L826 HydrophobicContact CD1-CG 4.39Å; I575-W827 HydrophobicContact CD1-CB 4.02Å; I575-W827 HydrophobicContact CD1-CE3 4.05Å; I575-W827 HydrophobicContact CG2-CE3 4.34Å; I575-W827 HydrophobicContact CG2-CZ3 4.43Å; I575-T830 HydrophobicContact CG2-CG2 4.01Å |
| 576 | A | 92 | Very high | 84.6 | Confident | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -69.5 | -36.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A563 S572 T573 E574 L579 L580 P607 L670 | A563-A576 HydrophobicContact CB-CB 3.68Å; S572-A576 VanDerWaalsContact O-CB 3.32Å; S572-A576 WeakPolarHBondContact O-CB 3.38Å; S572-A576 PolarHBondContact O-N 3.22Å; T573-A576 PolarHBondContact O-N 3.44Å; T573-A576 VanDerWaalsContact O-N 3.16Å; E574-A576 PolarHBondContact O-N 3.25Å; A576-L579 PolarHBondContact O-N 3.44Å; A576-L580 WeakPolarHBondContact O-CG 3.28Å; A576-L580 PolarHBondContact O-N 2.9Å; A576-P607 HydrophobicContact CB-CB 3.79Å; A576-L670 HydrophobicContact CB-CD1 4.39Å |
| 577 | I | 90.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -69.1 | -37.9 | 172.4 | -61 | -68.3 | 0 | 0 | 0 | 110.9 | I462 Y467 I471 T573 E574 L579 L580 R581 P607 | I462-I577 HydrophobicContact CD1-CB 4.18Å; I462-I577 HydrophobicContact CD1-CG1 4.45Å; I462-I577 HydrophobicContact CD1-CG2 3.6Å; Y467-I577 HydrophobicContact CD1-CG1 4.09Å; Y467-I577 HydrophobicContact CE1-CG1 4.29Å; I471-I577 HydrophobicContact CD1-CD1 4.03Å; I471-I577 HydrophobicContact CG1-CD1 3.85Å; T573-I577 WeakPolarHBondContact O-CG1 3.18Å; T573-I577 PolarHBondContact O-N 2.83Å; E574-I577 PolarHBondContact O-N 3.2Å; I577-L579 VanDerWaalsContact C-N 3.34Å; I577-L580 HydrophobicContact CD1-CD1 4.35Å; I577-L580 PolarHBondContact O-N 2.98Å; I577-R581 WeakPolarHBondContact O-CG 3.24Å; I577-R581 PolarHBondContact O-N 2.97Å; I577-P607 HydrophobicContact CD1-CB 3.89Å; I577-P607 HydrophobicContact CD1-CG 4.2Å; I577-P607 HydrophobicContact CG1-CB 4.42Å |
| 578 | R | 91.3 | Very high | 85.9 | Confident | 1 Ų | 1 | 12.6 Ų | 12.6 | 0% | 0.004 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.8 | -37.6 | 172.8 | -70.5 | 171.9 | 179.5 | -114.6 | -17.8 | 112.1 | N456 L458 E574 I575 R581 H582 L823 W827 | N456-R578 PolarHBondContact ND2-O 2.53Å; N456-R578 PolarHBondContact O-NH1 3.44Å; N456-R578 WeakPolarHBondContact OD1-CG 3.38Å; L458-R578 PolarHBondContact O-NH2 3.15Å; E574-R578 WeakPolarHBondContact O-CB 3.41Å; E574-R578 VanDerWaalsContact O-CG 3.22Å; E574-R578 WeakPolarHBondContact O-CG 3.37Å; E574-R578 PolarHBondContact O-N 3.04Å; E574-R578 IonicContact OE1-CZ 3.16Å; E574-R578 IonicContact OE1-NE 2.87Å; E574-R578 PolarHBondContact OE1-NE 2.91Å; E574-R578 IonicContact OE1-NH2 2.66Å; E574-R578 PolarHBondContact OE1-NH2 2.67Å; E574-R578 VanDerWaalsContact OE1-NH2 3.13Å; I575-R578 PolarHBondContact O-N 2.73Å; R578-R581 WeakPolarHBondContact O-CB 3.37Å; R578-R581 PolarHBondContact O-N 2.79Å; R578-H582 VanDerWaalsContact O-CB 3.31Å; R578-H582 WeakPolarHBondContact O-CB 3.48Å; R578-H582 PolarHBondContact O-N 3.46Å; R578-L823 PolarHBondContact NH1-O 3.41Å; R578-W827 HydrophobicContact CB-CD2 3.64Å; R578-W827 HydrophobicContact CB-CE3 3.73Å; R578-W827 HydrophobicContact CB-CG 4.11Å; R578-W827 HydrophobicContact CB-CH2 4.49Å; R578-W827 HydrophobicContact CB-CZ2 4.38Å; R578-W827 HydrophobicContact CB-CZ3 4.16Å; R578-W827 HydrophobicContact CG-CG 4.49Å |
| 579 | L | 93.8 | Very high | 86.8 | Confident | 1 Ų | 1 | 12.6 Ų | 12.6 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -65.5 | -41.4 | 170.9 | -179.6 | 62.8 | 0 | 0 | 0 | 112.5 | I561 I575 A576 I577 H582 L583 I605 W827 L834 | I561-L579 HydrophobicContact CD1-CD2 4.15Å; I575-L579 WeakPolarHBondContact O-CB 3.2Å; I575-L579 PolarHBondContact O-N 2.97Å; A576-L579 PolarHBondContact O-N 3.44Å; I577-L579 VanDerWaalsContact C-N 3.34Å; L579-H582 WeakPolarHBondContact O-CB 3.3Å; L579-H582 PolarHBondContact O-N 3.49Å; L579-L583 HydrophobicContact CD1-CD1 4.24Å; L579-L583 HydrophobicContact CD1-CG 4.22Å; L579-L583 HydrophobicContact CG-CD1 4.05Å; L579-L583 HydrophobicContact CG-CG 4.47Å; L579-L583 WeakPolarHBondContact O-CB 3.38Å; L579-L583 VanDerWaalsContact O-CG 3.28Å; L579-L583 WeakPolarHBondContact O-CG 3.49Å; L579-L583 PolarHBondContact O-N 3.48Å; L579-I605 HydrophobicContact CD2-CD1 4.39Å; L579-W827 HydrophobicContact CB-CH2 3.99Å; L579-W827 HydrophobicContact CB-CZ3 4.03Å; L579-W827 HydrophobicContact CD1-CH2 4.14Å; L579-L834 HydrophobicContact CD1-CD1 4.3Å; L579-L834 HydrophobicContact CD2-CD1 4.18Å |
| 580 | L | 91.2 | Very high | 87.1 | Confident | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.2 | -41.6 | 174.2 | -74.6 | 168 | 0 | 0 | 0 | 111.7 | M474 I524 L526 A576 I577 H582 L583 H584 I605 P607 | M474-L580 HydrophobicContact CE-CB 4.2Å; M474-L580 HydrophobicContact SD-CB 4.06Å; I524-L580 HydrophobicContact CB-CD2 4.01Å; I524-L580 HydrophobicContact CD1-CD1 3.96Å; I524-L580 HydrophobicContact CG1-CD1 4.23Å; I524-L580 HydrophobicContact CG1-CD2 4.11Å; I524-L580 HydrophobicContact CG2-CD2 3.89Å; L526-L580 HydrophobicContact CD1-CD2 4.44Å; A576-L580 WeakPolarHBondContact O-CG 3.28Å; A576-L580 PolarHBondContact O-N 2.9Å; I577-L580 HydrophobicContact CD1-CD1 4.35Å; I577-L580 PolarHBondContact O-N 2.98Å; L580-H582 VanDerWaalsContact C-N 3.34Å; L580-H582 PolarHBondContact O-N 3.34Å; L580-L583 PolarHBondContact O-N 3.18Å; L580-H584 VanDerWaalsContact O-CB 3.24Å; L580-H584 WeakPolarHBondContact O-CB 3.5Å; L580-H584 PolarHBondContact O-N 3.04Å; L580-I605 HydrophobicContact CD2-CB 4.37Å; L580-I605 HydrophobicContact CD2-CD1 4.09Å; L580-I605 HydrophobicContact CD2-CG2 4.39Å; L580-I605 HydrophobicContact CG-CG2 4.46Å; L580-P607 HydrophobicContact CD1-CB 4Å; L580-P607 HydrophobicContact CD1-CG 4.01Å |
| 581 | R | 90.3 | Very high | 87.3 | Confident | 28 Ų | 28 | 16.1 Ų | 16.1 | 11% | 0.106 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.1 | -41.7 | 171.1 | -75.7 | 175.4 | 179.5 | 156.9 | 3.4 | 112.3 | L455 N456 M474 I577 R578 S585 | L455-R581 PolarHBondContact O-NH1 3.29Å; N456-R581 WeakPolarHBondContact OD1-CD 3.36Å; M474-R581 HydrophobicContact CE-CG 3.67Å; I577-R581 WeakPolarHBondContact O-CG 3.24Å; I577-R581 PolarHBondContact O-N 2.97Å; R578-R581 WeakPolarHBondContact O-CB 3.37Å; R578-R581 PolarHBondContact O-N 2.79Å; R581-S585 VanDerWaalsContact O-CB 3.3Å; R581-S585 WeakPolarHBondContact O-CB 3.44Å; R581-S585 PolarHBondContact O-N 2.92Å; R581-S585 PolarHBondContact O-OG 2.81Å |
| 582 | H | 93 | Very high | 87.3 | Confident | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.4 | -50.2 | 176.9 | 175.5 | 81.5 | 0 | 0 | 0 | 112.2 | L449 D450 Y451 R578 L579 L580 H584 S585 G586 W827 | L449-H582 PolarHBondContact O-CE1 3.25Å; D450-H582 WeakPolarHBondContact OD1-CB 3.46Å; D450-H582 IonicContact OD1-CE1 3.27Å; D450-H582 IonicContact OD1-CG 3.1Å; D450-H582 IonicContact OD1-ND1 3.69Å; D450-H582 PolarHBondContact OD1-ND1 3.28Å; Y451-H582 AromaticContact CD2-ND1 3.96Å; Y451-H582 AromaticContact CE2-CE1 3.29Å; Y451-H582 WeakPolarHBondContact CE2-CE1 3.43Å; Y451-H582 AromaticContact CE2-ND1 3.63Å; Y451-H582 AromaticContact CE2-NE2 3.79Å; Y451-H582 AromaticContact CZ-CE1 3.99Å; R578-H582 VanDerWaalsContact O-CB 3.31Å; R578-H582 WeakPolarHBondContact O-CB 3.48Å; R578-H582 PolarHBondContact O-N 3.46Å; L579-H582 WeakPolarHBondContact O-CB 3.3Å; L579-H582 PolarHBondContact O-N 3.49Å; L580-H582 VanDerWaalsContact C-N 3.34Å; L580-H582 PolarHBondContact O-N 3.34Å; H582-H584 VanDerWaalsContact C-N 3.33Å; H582-H584 PolarHBondContact O-N 3.28Å; H582-S585 PolarHBondContact O-N 2.89Å; H582-G586 PolarHBondContact O-N 3.3Å; H582-W827 HydrophobicContact CB-CH2 4.04Å; H582-W827 HydrophobicContact CB-CZ2 3.68Å |
| 583 | L | 91.3 | Very high | 87 | Confident | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.9 | -40 | 177.6 | -68.2 | 169.1 | 0 | 0 | 0 | 111.6 | L526 L579 L580 L587 I594 L597 L603 I605 | L526-L583 HydrophobicContact CD1-CD1 4.4Å; L526-L583 HydrophobicContact CD2-CB 3.88Å; L526-L583 HydrophobicContact CD2-CD1 4Å; L526-L583 HydrophobicContact CD2-CG 4.47Å; L579-L583 HydrophobicContact CD1-CD1 4.24Å; L579-L583 HydrophobicContact CD1-CG 4.22Å; L579-L583 HydrophobicContact CG-CD1 4.05Å; L579-L583 HydrophobicContact CG-CG 4.47Å; L579-L583 WeakPolarHBondContact O-CB 3.38Å; L579-L583 VanDerWaalsContact O-CG 3.28Å; L579-L583 WeakPolarHBondContact O-CG 3.49Å; L579-L583 PolarHBondContact O-N 3.48Å; L580-L583 PolarHBondContact O-N 3.18Å; L583-L587 WeakPolarHBondContact O-CB 3.29Å; L583-L587 WeakPolarHBondContact O-CG 3.3Å; L583-L587 PolarHBondContact O-N 3.42Å; L583-I594 HydrophobicContact CD2-CD1 3.95Å; L583-I594 HydrophobicContact CD2-CG2 4.1Å; L583-L597 HydrophobicContact CD2-CD2 4.28Å; L583-L603 HydrophobicContact CD1-CD1 4.14Å; L583-L603 HydrophobicContact CD2-CD1 4.44Å; L583-I605 HydrophobicContact CD1-CD1 3.54Å |
| 584 | H | 87.3 | Confident | 87 | Confident | 36 Ų | 36 | 23 Ų | 23 | 17% | 0.167 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.3 | -53.2 | 172 | 178.7 | -72.2 | 0 | 0 | 0 | 111.5 | F486 L580 H582 G586 L587 T588 | F486-H584 HydrophobicContact CZ-CB 4.35Å; L580-H584 VanDerWaalsContact O-CB 3.24Å; L580-H584 WeakPolarHBondContact O-CB 3.5Å; L580-H584 PolarHBondContact O-N 3.04Å; H582-H584 VanDerWaalsContact C-N 3.33Å; H582-H584 PolarHBondContact O-N 3.28Å; H584-G586 PolarHBondContact O-N 3.27Å; H584-L587 PolarHBondContact O-N 2.58Å; H584-T588 PolarHBondContact O-N 3.43Å; H584-T588 PolarHBondContact O-OG1 3.32Å |
| 585 | S | 86.3 | Confident | 86.8 | Confident | 19 Ų | 19 | 25.7 Ų | 25.7 | 13% | 0.133 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.9 | -44.4 | 178.7 | -77.3 | 0 | 0 | 0 | 0 | 112.1 | N453 R581 H582 L587 T588 A589 | N453-S585 PolarHBondContact ND2-OG 3.02Å; R581-S585 VanDerWaalsContact O-CB 3.3Å; R581-S585 WeakPolarHBondContact O-CB 3.44Å; R581-S585 PolarHBondContact O-N 2.92Å; R581-S585 PolarHBondContact O-OG 2.81Å; H582-S585 PolarHBondContact O-N 2.89Å; S585-L587 PolarHBondContact O-N 2.96Å; S585-T588 VanDerWaalsContact CA-OG1 3.3Å; S585-T588 WeakPolarHBondContact CA-OG1 3.44Å; S585-T588 PolarHBondContact O-N 3.32Å; S585-T588 PolarHBondContact O-OG1 3.45Å; S585-A589 VanDerWaalsContact O-CB 3.22Å; S585-A589 WeakPolarHBondContact O-CB 3.48Å; S585-A589 PolarHBondContact O-N 2.9Å |
| 586 | G | 87.2 | Confident | 86.4 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.6 | -37.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | H582 H584 S590 S591 | H582-G586 PolarHBondContact O-N 3.3Å; H584-G586 PolarHBondContact O-N 3.27Å; G586-S590 PolarHBondContact O-N 2.78Å; G586-S591 WeakPolarHBondContact O-CB 3.26Å; G586-S591 PolarHBondContact O-N 2.81Å |
| 587 | L | 84.3 | Confident | 86.1 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.3 | -46.6 | 170.5 | -82.9 | 173.6 | 0 | 0 | 0 | 111.9 | Y485 F486 L528 L583 H584 S585 A589 S590 I594 W595 L598 | Y485-L587 HydrophobicContact CD2-CD2 4.17Å; F486-L587 HydrophobicContact CD2-CD1 4.32Å; F486-L587 HydrophobicContact CE2-CD1 3.4Å; F486-L587 VanDerWaalsContact CE2-CD1 3.4Å; F486-L587 HydrophobicContact CZ-CD1 3.71Å; L528-L587 HydrophobicContact CD2-CD2 4.13Å; L583-L587 WeakPolarHBondContact O-CB 3.29Å; L583-L587 WeakPolarHBondContact O-CG 3.3Å; L583-L587 PolarHBondContact O-N 3.42Å; H584-L587 PolarHBondContact O-N 2.58Å; S585-L587 PolarHBondContact O-N 2.96Å; L587-A589 VanDerWaalsContact C-N 3.3Å; L587-A589 PolarHBondContact O-N 3.05Å; L587-S590 PolarHBondContact O-N 3.3Å; L587-I594 HydrophobicContact CG-CG2 4.1Å; L587-W595 HydrophobicContact CD2-CD2 4.47Å; L587-W595 HydrophobicContact CD2-CG 4.49Å; L587-W595 HydrophobicContact CD2-CZ2 4.5Å; L587-W595 PolarHBondContact O-NE1 3.27Å; L587-L598 HydrophobicContact CD1-CD1 3.71Å; L587-L598 HydrophobicContact CD2-CD1 3.91Å; L587-L598 HydrophobicContact CG-CD1 3.92Å |
| 588 | T | 82.8 | Confident | 86 | Confident | 73 Ų | 73 | 29.5 Ų | 29.5 | 45% | 0.448 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.6 | -30.3 | 178.1 | 51.6 | 0 | 0 | 0 | 0 | 113.8 | I482 H584 S585 S590 | I482-T588 HydrophobicContact CD1-CG2 3.59Å; H584-T588 PolarHBondContact O-N 3.43Å; H584-T588 PolarHBondContact O-OG1 3.32Å; S585-T588 VanDerWaalsContact CA-OG1 3.3Å; S585-T588 WeakPolarHBondContact CA-OG1 3.44Å; S585-T588 PolarHBondContact O-N 3.32Å; S585-T588 PolarHBondContact O-OG1 3.45Å; T588-S590 VanDerWaalsContact C-N 3.28Å |
| 589 | A | 82.5 | Confident | 85.5 | Confident | 62 Ų | 62 | 31.1 Ų | 31.1 | 51% | 0.512 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 5.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y451 S585 L587 S591 | Y451-A589 HydrophobicContact CD1-CB 4.28Å; S585-A589 VanDerWaalsContact O-CB 3.22Å; S585-A589 WeakPolarHBondContact O-CB 3.48Å; S585-A589 PolarHBondContact O-N 2.9Å; L587-A589 VanDerWaalsContact C-N 3.3Å; L587-A589 PolarHBondContact O-N 3.05Å; A589-S591 PolarHBondContact O-N 3.06Å |
| 590 | S | 79.7 | Confident | 84.8 | Confident | 76 Ų | 76 | 32.4 Ų | 32.4 | 53% | 0.531 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 35.7 | -174 | -59.8 | 0 | 0 | 0 | 0 | 113.8 | G586 L587 T588 P592 | G586-S590 PolarHBondContact O-N 2.78Å; L587-S590 PolarHBondContact O-N 3.3Å; T588-S590 VanDerWaalsContact C-N 3.28Å; S590-P592 WeakPolarHBondContact O-CD 3.33Å |
| 591 | S | 82.5 | Confident | 84.7 | Confident | 17 Ų | 17 | 32.4 Ų | 32.4 | 12% | 0.119 | 19% | 0.189 | C | C | . | . | trans | -63.6 | 120.3 | -175.2 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | Y451 G586 A589 D593 I594 W595 | Y451-S591 VanDerWaalsContact CE1-CB 3.46Å; Y451-S591 VanDerWaalsContact CE1-OG 3.29Å; Y451-S591 WeakPolarHBondContact CE1-OG 3.48Å; Y451-S591 WeakPolarHBondContact OH-CB 3.33Å; Y451-S591 PolarHBondContact OH-OG 3Å; G586-S591 WeakPolarHBondContact O-CB 3.26Å; G586-S591 PolarHBondContact O-N 2.81Å; A589-S591 PolarHBondContact O-N 3.06Å; S591-D593 VanDerWaalsContact C-N 3.27Å; S591-D593 PolarHBondContact O-N 3.2Å; S591-D593 VanDerWaalsContact O-N 3.17Å; S591-I594 PolarHBondContact O-N 3.04Å; S591-I594 VanDerWaalsContact O-N 3.08Å; S591-W595 PolarHBondContact O-N 3.2Å | ||
| 592 | P | 79 | Confident | 84.7 | Confident | 68 Ų | 68 | 31.1 Ų | 31.1 | 44% | 0.442 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -54 | -40.4 | -178.6 | -29.6 | 36.6 | 0 | 0 | 0 | 113 | S590 I594 W595 R596 | S590-P592 WeakPolarHBondContact O-CD 3.33Å; P592-I594 PolarHBondContact O-N 3.46Å; P592-W595 PolarHBondContact O-N 3.41Å; P592-R596 WeakPolarHBondContact O-CA 3.36Å; P592-R596 WeakPolarHBondContact O-CB 3.5Å; P592-R596 PolarHBondContact O-N 3.35Å |
| 593 | D | 80 | Confident | 84.7 | Confident | 86 Ų | 86 | 31.1 Ų | 31.1 | 46% | 0.46 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.8 | -39 | 178.6 | -80.5 | -45.9 | 0 | 0 | 0 | 114.9 | S591 R596 L597 | S591-D593 VanDerWaalsContact C-N 3.27Å; S591-D593 PolarHBondContact O-N 3.2Å; S591-D593 VanDerWaalsContact O-N 3.17Å; D593-R596 IonicContact OD1-CZ 3.8Å; D593-R596 IonicContact OD1-NE 2.74Å; D593-R596 IonicContact OD1-NH2 3.58Å; D593-R596 PolarHBondContact OD1-NH2 3.4Å; D593-L597 WeakPolarHBondContact O-CB 3.35Å; D593-L597 PolarHBondContact O-N 2.96Å |
| 594 | I | 86.8 | Confident | 84.8 | Confident | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -81 | -35.2 | 179.9 | -60.9 | -50.3 | 0 | 0 | 0 | 111.2 | Y451 L583 L587 S591 P592 L597 L598 | Y451-I594 HydrophobicContact CE2-CG1 4.4Å; Y451-I594 VanDerWaalsContact OH-CG1 3.29Å; Y451-I594 WeakPolarHBondContact OH-CG1 3.47Å; L583-I594 HydrophobicContact CD2-CD1 3.95Å; L583-I594 HydrophobicContact CD2-CG2 4.1Å; L587-I594 HydrophobicContact CG-CG2 4.1Å; S591-I594 PolarHBondContact O-N 3.04Å; S591-I594 VanDerWaalsContact O-N 3.08Å; P592-I594 PolarHBondContact O-N 3.46Å; I594-L597 HydrophobicContact CD1-CD2 4.26Å; I594-L597 PolarHBondContact O-N 2.95Å; I594-L598 HydrophobicContact CG2-CD1 3.99Å; I594-L598 HydrophobicContact CG2-CG 4.5Å; I594-L598 WeakPolarHBondContact O-CB 3.33Å; I594-L598 WeakPolarHBondContact O-CG 3.43Å; I594-L598 PolarHBondContact O-N 3.45Å |
| 595 | W | 82.5 | Confident | 85.1 | Confident | 59 Ų | 59 | 29.3 Ų | 29.3 | 22% | 0.223 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.6 | -46.3 | 171.1 | -82.9 | 72.1 | 0 | 0 | 0 | 111.2 | Y485 L528 L587 S591 P592 L597 L598 A599 | Y485-W595 AromaticContact CE2-CH2 3.84Å; Y485-W595 HydrophobicContact CE2-CH2 3.84Å; Y485-W595 AromaticContact CE2-CZ2 3.95Å; Y485-W595 HydrophobicContact CE2-CZ2 3.95Å; Y485-W595 AromaticContact CZ-CH2 3.84Å; Y485-W595 VanDerWaalsContact OH-CH2 3.32Å; Y485-W595 WeakPolarHBondContact OH-CH2 3.41Å; L528-W595 HydrophobicContact CD1-CB 4.38Å; L528-W595 HydrophobicContact CD1-CD2 4.05Å; L528-W595 HydrophobicContact CD1-CE3 3.48Å; L528-W595 VanDerWaalsContact CD1-CE3 3.48Å; L528-W595 HydrophobicContact CD1-CG 4.47Å; L528-W595 HydrophobicContact CD1-CZ3 4.08Å; L528-W595 WeakPolarHBondContact CD1-O 3.36Å; L528-W595 HydrophobicContact CD2-CD2 4.38Å; L528-W595 HydrophobicContact CD2-CE3 4.03Å; L528-W595 HydrophobicContact CD2-CH2 4.37Å; L528-W595 HydrophobicContact CD2-CZ3 4.02Å; L528-W595 HydrophobicContact CG-CE3 4.43Å; L587-W595 HydrophobicContact CD2-CD2 4.47Å; L587-W595 HydrophobicContact CD2-CG 4.49Å; L587-W595 HydrophobicContact CD2-CZ2 4.5Å; L587-W595 PolarHBondContact O-NE1 3.27Å; S591-W595 PolarHBondContact O-N 3.2Å; P592-W595 PolarHBondContact O-N 3.41Å; W595-L597 VanDerWaalsContact C-N 3.34Å; W595-L597 PolarHBondContact O-N 3.15Å; W595-L598 CarbonylContact O-C 3.58Å; W595-L598 PolarHBondContact O-N 3.05Å; W595-A599 WeakPolarHBondContact O-CB 3.28Å; W595-A599 PolarHBondContact O-N 3.29Å |
| 596 | R | 81.2 | Confident | 85.5 | Confident | 75 Ų | 75 | 28.4 Ų | 28.4 | 28% | 0.283 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63.1 | -35.9 | 174.2 | -174.2 | 165.1 | 60.8 | 177.4 | -3.1 | 112.7 | P592 D593 T600 | P592-R596 WeakPolarHBondContact O-CA 3.36Å; P592-R596 WeakPolarHBondContact O-CB 3.5Å; P592-R596 PolarHBondContact O-N 3.35Å; D593-R596 IonicContact OD1-CZ 3.8Å; D593-R596 IonicContact OD1-NE 2.74Å; D593-R596 IonicContact OD1-NH2 3.58Å; D593-R596 PolarHBondContact OD1-NH2 3.4Å; R596-T600 WeakPolarHBondContact O-CB 3.37Å; R596-T600 WeakPolarHBondContact O-CG2 3.42Å; R596-T600 PolarHBondContact O-N 3.06Å; R596-T600 VanDerWaalsContact O-N 3.09Å; R596-T600 PolarHBondContact O-OG1 3.45Å |
| 597 | L | 85.9 | Confident | 85.6 | Confident | 10 Ų | 10 | 28.4 Ų | 28.4 | 5% | 0.052 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.4 | -50.7 | 170.8 | 176.2 | 55.8 | 0 | 0 | 0 | 111.2 | L583 D593 I594 W595 A599 T600 S601 L603 F838 | L583-L597 HydrophobicContact CD2-CD2 4.28Å; D593-L597 WeakPolarHBondContact O-CB 3.35Å; D593-L597 PolarHBondContact O-N 2.96Å; I594-L597 HydrophobicContact CD1-CD2 4.26Å; I594-L597 PolarHBondContact O-N 2.95Å; W595-L597 VanDerWaalsContact C-N 3.34Å; W595-L597 PolarHBondContact O-N 3.15Å; L597-A599 VanDerWaalsContact C-N 3.34Å; L597-A599 PolarHBondContact O-N 3.2Å; L597-T600 PolarHBondContact O-N 3.33Å; L597-S601 WeakPolarHBondContact O-CA 3.42Å; L597-S601 VanDerWaalsContact O-CB 3.22Å; L597-S601 WeakPolarHBondContact O-CB 3.42Å; L597-S601 PolarHBondContact O-N 3.41Å; L597-L603 HydrophobicContact CD2-CD1 4.31Å; L597-F838 HydrophobicContact CD1-CB 3.84Å; L597-F838 HydrophobicContact CD1-CD1 4.32Å; L597-F838 HydrophobicContact CD1-CD2 4.4Å; L597-F838 HydrophobicContact CD1-CG 3.96Å; L597-F838 HydrophobicContact CD2-CD2 3.8Å; L597-F838 HydrophobicContact CD2-CE2 4.19Å; L597-F838 HydrophobicContact CD2-CG 4.21Å |
| 598 | L | 87.4 | Confident | 85.6 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -82.6 | -9.6 | -176.1 | -63.2 | 176 | 0 | 0 | 0 | 114.1 | L526 L528 K556 L587 I594 W595 S601 L603 | L526-L598 HydrophobicContact CB-CD1 4.22Å; L526-L598 HydrophobicContact CB-CD2 3.66Å; L526-L598 HydrophobicContact CD2-CD1 4.26Å; L528-L598 HydrophobicContact CD1-CB 4.43Å; L528-L598 HydrophobicContact CG-CB 3.94Å; L528-L598 PolarHBondContact N-O 3.48Å; L528-L598 VanDerWaalsContact N-O 3.1Å; K556-L598 PolarHBondContact NZ-O 3.14Å; L587-L598 HydrophobicContact CD1-CD1 3.71Å; L587-L598 HydrophobicContact CD2-CD1 3.91Å; L587-L598 HydrophobicContact CG-CD1 3.92Å; I594-L598 HydrophobicContact CG2-CD1 3.99Å; I594-L598 HydrophobicContact CG2-CG 4.5Å; I594-L598 WeakPolarHBondContact O-CB 3.33Å; I594-L598 WeakPolarHBondContact O-CG 3.43Å; I594-L598 PolarHBondContact O-N 3.45Å; W595-L598 CarbonylContact O-C 3.58Å; W595-L598 PolarHBondContact O-N 3.05Å; L598-S601 CarbonylContact C-O 3.51Å; L598-S601 WeakPolarHBondContact CA-O 3.4Å; L598-L603 HydrophobicContact CD2-CD1 3.77Å; L598-L603 HydrophobicContact CD2-CG 3.8Å |
| 599 | A | 80.4 | Confident | 85.8 | Confident | 35 Ų | 35 | 25.1 Ų | 25.1 | 29% | 0.289 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -79.9 | -45.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L528 K556 W595 L597 R960 | L528-A599 HydrophobicContact CD1-CB 4.13Å; K556-A599 WeakPolarHBondContact CD-O 3.43Å; K556-A599 WeakPolarHBondContact CE-O 3.35Å; K556-A599 WeakPolarHBondContact CG-O 3.38Å; W595-A599 WeakPolarHBondContact O-CB 3.28Å; W595-A599 PolarHBondContact O-N 3.29Å; L597-A599 VanDerWaalsContact C-N 3.34Å; L597-A599 PolarHBondContact O-N 3.2Å; A599-R960 PolarHBondContact O-NH2 3.48Å; A599-R960 VanDerWaalsContact O-NH2 3.15Å |
| 600 | T | 80.6 | Confident | 85.6 | Confident | 27 Ų | 27 | 23.8 Ų | 23.8 | 17% | 0.166 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -88.2 | -21.6 | -178.5 | 58.1 | 0 | 0 | 0 | 0 | 113.7 | K556 I557 R596 L597 R842 | K556-T600 WeakPolarHBondContact CA-O 3.42Å; K556-T600 WeakPolarHBondContact CB-O 3.11Å; I557-T600 PolarHBondContact N-O 2.78Å; I557-T600 VanDerWaalsContact N-O 3.12Å; R596-T600 WeakPolarHBondContact O-CB 3.37Å; R596-T600 WeakPolarHBondContact O-CG2 3.42Å; R596-T600 PolarHBondContact O-N 3.06Å; R596-T600 VanDerWaalsContact O-N 3.09Å; R596-T600 PolarHBondContact O-OG1 3.45Å; L597-T600 PolarHBondContact O-N 3.33Å; T600-R842 HydrophobicContact CG2-CG 3.94Å |
| 601 | S | 87.6 | Confident | 85.4 | Confident | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.007 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 153.7 | -177.5 | -53.7 | 0 | 0 | 0 | 0 | 113.4 | S527 I557 L597 L598 | S527-S601 PolarHBondContact OG-O 3.2Å; I557-S601 CarbonylContact O-C 3.54Å; I557-S601 VanDerWaalsContact O-CA 3.23Å; I557-S601 WeakPolarHBondContact O-CA 3.49Å; L597-S601 WeakPolarHBondContact O-CA 3.42Å; L597-S601 VanDerWaalsContact O-CB 3.22Å; L597-S601 WeakPolarHBondContact O-CB 3.42Å; L597-S601 PolarHBondContact O-N 3.41Å; L598-S601 CarbonylContact C-O 3.51Å; L598-S601 WeakPolarHBondContact CA-O 3.4Å |
| 602 | Q | 90.8 | Very high | 84.8 | Confident | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 121.8 | 171.2 | -162.8 | 177.6 | 9.7 | 0 | 0 | 107.3 | L550 Q551 K556 I557 R558 I559 F662 | L550-Q602 HydrophobicContact CD1-CG 4.34Å; L550-Q602 VanDerWaalsContact CD1-NE2 3.3Å; Q551-Q602 PolarHBondContact O-NE2 2.76Å; K556-Q602 HydrophobicContact CD-CB 4.5Å; I557-Q602 PolarHBondContact O-N 2.96Å; R558-Q602 WeakPolarHBondContact CA-O 3.4Å; R558-Q602 VanDerWaalsContact CD-OE1 3.28Å; R558-Q602 HydrophobicContact CG-CB 4.05Å; I559-Q602 PolarHBondContact N-O 3.1Å; Q602-F662 HydrophobicContact CB-CE2 4.36Å; Q602-F662 HydrophobicContact CB-CZ 4.19Å; Q602-F662 HydrophobicContact CG-CE2 3.7Å; Q602-F662 HydrophobicContact CG-CZ 3.98Å |
| 603 | L | 93 | Very high | 84.3 | Confident | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 148.6 | -179 | -53.2 | -176.3 | 0 | 0 | 0 | 110.8 | G525 L526 I559 L583 L597 L598 I605 | G525-L603 CarbonylContact C-O 3.54Å; G525-L603 VanDerWaalsContact CA-O 3.28Å; G525-L603 WeakPolarHBondContact CA-O 3.37Å; L526-L603 HydrophobicContact CB-CB 4.31Å; L526-L603 HydrophobicContact CD1-CB 4.2Å; L526-L603 PolarHBondContact N-O 3.13Å; L526-L603 PolarHBondContact O-N 3.45Å; I559-L603 HydrophobicContact CB-CD2 3.89Å; I559-L603 HydrophobicContact CD1-CD2 4.01Å; I559-L603 HydrophobicContact CG1-CD2 4.28Å; I559-L603 CarbonylContact O-C 3.55Å; I559-L603 WeakPolarHBondContact O-CA 3.38Å; L583-L603 HydrophobicContact CD1-CD1 4.14Å; L583-L603 HydrophobicContact CD2-CD1 4.44Å; L597-L603 HydrophobicContact CD2-CD1 4.31Å; L598-L603 HydrophobicContact CD2-CD1 3.77Å; L598-L603 HydrophobicContact CD2-CG 3.8Å; L603-I605 HydrophobicContact CB-CG1 4.48Å |
| 604 | L | 93.6 | Very high | 84 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 111.6 | 168.4 | 176.5 | 61.1 | 0 | 0 | 0 | 109.5 | I524 L550 I559 V560 I561 F606 I658 F662 | I524-L604 CarbonylContact O-C 3.56Å; I524-L604 WeakPolarHBondContact O-CA 3.21Å; L550-L604 HydrophobicContact CD2-CB 4.4Å; L550-L604 HydrophobicContact CD2-CD1 4.1Å; I559-L604 PolarHBondContact O-N 2.81Å; V560-L604 CarbonylContact C-O 3.55Å; V560-L604 WeakPolarHBondContact CA-O 3.45Å; V560-L604 HydrophobicContact CG2-CB 4.39Å; V560-L604 HydrophobicContact CG2-CD2 4.45Å; I561-L604 PolarHBondContact N-O 3.21Å; L604-F606 HydrophobicContact CD1-CE2 4.11Å; L604-F606 HydrophobicContact CD1-CZ 4.44Å; L604-F606 HydrophobicContact CD2-CE2 3.91Å; L604-F606 HydrophobicContact CD2-CZ 4.45Å; L604-F606 HydrophobicContact CG-CD2 4.41Å; L604-F606 HydrophobicContact CG-CE2 3.74Å; L604-F606 HydrophobicContact CG-CZ 4.47Å; L604-I658 HydrophobicContact CD2-CG2 3.99Å; L604-F662 HydrophobicContact CB-CE1 4.02Å; L604-F662 HydrophobicContact CB-CE2 4.35Å; L604-F662 HydrophobicContact CB-CZ 3.92Å; L604-F662 HydrophobicContact CD2-CD1 4.39Å; L604-F662 HydrophobicContact CD2-CG 4.36Å |
| 605 | I | 94.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 125 | -169.1 | -52.1 | -175.8 | 0 | 0 | 0 | 110.6 | I524 L526 I561 L579 L580 L583 L603 | I524-I605 WeakPolarHBondContact CD1-O 3.36Å; I524-I605 PolarHBondContact N-O 2.74Å; I524-I605 PolarHBondContact O-N 3.43Å; L526-I605 HydrophobicContact CD1-CD1 3.77Å; L526-I605 HydrophobicContact CD1-CG1 4.04Å; I561-I605 HydrophobicContact CB-CG1 4.2Å; I561-I605 HydrophobicContact CB-CG2 4.34Å; I561-I605 HydrophobicContact CD1-CD1 4.21Å; I561-I605 HydrophobicContact CD1-CG1 4.19Å; I561-I605 HydrophobicContact CG1-CG1 4.4Å; I561-I605 CarbonylContact O-C 3.05Å; I561-I605 WeakPolarHBondContact O-CA 3.48Å; L579-I605 HydrophobicContact CD2-CD1 4.39Å; L580-I605 HydrophobicContact CD2-CB 4.37Å; L580-I605 HydrophobicContact CD2-CD1 4.09Å; L580-I605 HydrophobicContact CD2-CG2 4.39Å; L580-I605 HydrophobicContact CG-CG2 4.46Å; L583-I605 HydrophobicContact CD1-CD1 3.54Å; L603-I605 HydrophobicContact CB-CG1 4.48Å |
| 606 | F | 92.9 | Very high | 82.4 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 104 | 170.2 | -67.8 | -94.9 | 0 | 0 | 0 | 108.9 | I491 V521 Y522 G523 I561 L562 A563 L604 L609 F655 | I491-F606 HydrophobicContact CD1-CE1 3.95Å; V521-F606 HydrophobicContact CG1-CD1 4.06Å; Y522-F606 VanDerWaalsContact O-CD1 3.29Å; Y522-F606 WeakPolarHBondContact O-CD1 3.29Å; G523-F606 VanDerWaalsContact CA-CE1 3.47Å; I561-F606 PolarHBondContact O-N 2.93Å; L562-F606 HydrophobicContact CD2-CB 3.98Å; L562-F606 HydrophobicContact CD2-CD2 3.54Å; L562-F606 HydrophobicContact CD2-CE2 4.37Å; L562-F606 HydrophobicContact CD2-CG 4.05Å; A563-F606 PolarHBondContact N-O 3.06Å; L604-F606 HydrophobicContact CD1-CE2 4.11Å; L604-F606 HydrophobicContact CD1-CZ 4.44Å; L604-F606 HydrophobicContact CD2-CE2 3.91Å; L604-F606 HydrophobicContact CD2-CZ 4.45Å; L604-F606 HydrophobicContact CG-CD2 4.41Å; L604-F606 HydrophobicContact CG-CE2 3.74Å; L604-F606 HydrophobicContact CG-CZ 4.47Å; F606-L609 HydrophobicContact CB-CD2 3.86Å; F606-L609 HydrophobicContact CB-CG 4.33Å; F606-L609 HydrophobicContact CD1-CD2 4.07Å; F606-L609 HydrophobicContact CG-CD2 4.14Å; F606-F655 HydrophobicContact CD1-CE2 4.25Å; F606-F655 HydrophobicContact CD2-CE2 4.32Å; F606-F655 AromaticContact CE1-CD2 3.88Å; F606-F655 HydrophobicContact CE1-CD2 3.88Å; F606-F655 AromaticContact CE1-CE2 3.91Å; F606-F655 HydrophobicContact CE1-CE2 3.91Å; F606-F655 AromaticContact CE2-CE2 3.96Å; F606-F655 HydrophobicContact CE2-CE2 3.96Å; F606-F655 HydrophobicContact CG-CE2 4.45Å; F606-F655 AromaticContact CZ-CD2 3.86Å; F606-F655 HydrophobicContact CZ-CD2 3.86Å; F606-F655 AromaticContact CZ-CE2 3.75Å; F606-F655 HydrophobicContact CZ-CE2 3.75Å |
| 607 | P | 90 | Very high | 81.7 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -78.2 | -20.8 | -171.9 | 30.8 | -34.6 | 0 | 0 | 0 | 113.4 | I471 Y522 I524 A563 T573 A576 I577 L580 | I471-P607 HydrophobicContact CD1-CG 3.73Å; Y522-P607 WeakPolarHBondContact O-CD 3.32Å; I524-P607 HydrophobicContact CD1-CG 4Å; A563-P607 WeakPolarHBondContact CB-O 3.19Å; T573-P607 VanDerWaalsContact CA-O 3.28Å; T573-P607 WeakPolarHBondContact CA-O 3.22Å; T573-P607 VanDerWaalsContact CB-O 3.31Å; T573-P607 WeakPolarHBondContact CB-O 3.45Å; T573-P607 WeakPolarHBondContact CG2-O 3.48Å; T573-P607 PolarHBondContact OG1-O 3.42Å; A576-P607 HydrophobicContact CB-CB 3.79Å; I577-P607 HydrophobicContact CD1-CB 3.89Å; I577-P607 HydrophobicContact CD1-CG 4.2Å; I577-P607 HydrophobicContact CG1-CB 4.42Å; L580-P607 HydrophobicContact CD1-CB 4Å; L580-P607 HydrophobicContact CD1-CG 4.01Å |
| 608 | Y | 85.5 | Confident | 80.8 | Confident | 7 Ų | 7 | 19.4 Ų | 19.4 | 3% | 0.027 | 11% | 0.107 | C | C | . | . | trans | -148 | 144.6 | 166.6 | 50.4 | -96.7 | 0 | 0 | 0 | 109.8 | D468 I471 Y522 A563 T573 P611 | D468-Y608 PolarHBondContact N-OH 3.47Å; I471-Y608 HydrophobicContact CD1-CD1 4.39Å; I471-Y608 HydrophobicContact CD1-CE1 3.51Å; Y522-Y608 WeakPolarHBondContact CD2-OH 3.44Å; A563-Y608 CarbonylContact O-C 3.43Å; A563-Y608 WeakPolarHBondContact O-CA 3.27Å; T573-Y608 HydrophobicContact CG2-CD1 4.06Å; Y608-P611 HydrophobicContact CD2-CB 3.92Å; Y608-P611 HydrophobicContact CE2-CB 3.8Å | ||
| 609 | L | 85.5 | Confident | 79.7 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -114.9 | -17.2 | 175.4 | -69 | 172.3 | 0 | 0 | 0 | 112.2 | V521 L562 A563 G564 L565 F606 N647 I649 F655 | V521-L609 HydrophobicContact CG1-CD2 4.1Å; L562-L609 HydrophobicContact CB-CD1 4.18Å; L562-L609 HydrophobicContact CD2-CD1 4.4Å; A563-L609 PolarHBondContact O-N 3.2Å; G564-L609 WeakPolarHBondContact O-CA 3.47Å; G564-L609 WeakPolarHBondContact O-CB 3.36Å; G564-L609 PolarHBondContact O-N 2.89Å; L565-L609 HydrophobicContact CD2-CD1 3.65Å; L565-L609 HydrophobicContact CG-CD1 4.3Å; F606-L609 HydrophobicContact CB-CD2 3.86Å; F606-L609 HydrophobicContact CB-CG 4.33Å; F606-L609 HydrophobicContact CD1-CD2 4.07Å; F606-L609 HydrophobicContact CG-CD2 4.14Å; L609-N647 VanDerWaalsContact C-ND2 3.29Å; L609-N647 PolarHBondContact O-ND2 3.02Å; L609-N647 PolarHBondContact O-OD1 3.48Å; L609-I649 HydrophobicContact CB-CG2 4.25Å; L609-I649 HydrophobicContact CD2-CG1 4.14Å; L609-I649 HydrophobicContact CD2-CG2 4.27Å; L609-F655 HydrophobicContact CD2-CE2 4.24Å |
| 610 | D | 78.5 | Confident | 78.9 | Confident | 33 Ų | 33 | 23 Ų | 23 | 18% | 0.176 | 12% | 0.123 | C | C | . | . | trans | -118.3 | 84.6 | 170.8 | -178.8 | 0.6 | 0 | 0 | 0 | 111.1 | G564 S567 V612 G613 I614 | G564-D610 PolarHBondContact O-N 2.79Å; G564-D610 VanDerWaalsContact O-N 3.07Å; S567-D610 VanDerWaalsContact CA-OD2 3.23Å; S567-D610 WeakPolarHBondContact CA-OD2 3.32Å; S567-D610 WeakPolarHBondContact CB-OD2 3.39Å; S567-D610 PolarHBondContact N-OD2 2.78Å; D610-V612 PolarHBondContact O-N 3.12Å; D610-V612 PolarHBondContact OD1-N 2.91Å; D610-G613 PolarHBondContact OD1-N 3.37Å; D610-I614 WeakPolarHBondContact O-CB 3.24Å; D610-I614 WeakPolarHBondContact O-CD1 3.15Å; D610-I614 VanDerWaalsContact O-CG1 3.27Å; D610-I614 WeakPolarHBondContact O-CG1 3.37Å; D610-I614 PolarHBondContact O-N 3.48Å | ||
| 611 | P | 75.5 | Confident | 78.1 | Confident | 27 Ų | 27 | 22.2 Ų | 22.2 | 18% | 0.175 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.4 | -33.2 | -178.3 | 24 | -32.4 | 0 | 0 | 0 | 113.7 | V521 Y608 H615 | V521-P611 HydrophobicContact CG2-CG 4.12Å; Y608-P611 HydrophobicContact CD2-CB 3.92Å; Y608-P611 HydrophobicContact CE2-CB 3.8Å; P611-H615 WeakPolarHBondContact O-CB 3.5Å; P611-H615 PolarHBondContact O-N 3Å; P611-H615 VanDerWaalsContact O-N 3.16Å |
| 612 | V | 69.5 | Low | 76.8 | Confident | 35 Ų | 35 | 24.4 Ų | 24.4 | 21% | 0.212 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -74.1 | -52.5 | -174.1 | -179.2 | 0 | 0 | 0 | 0 | 110 | L495 S519 D610 I614 H615 E616 | L495-V612 HydrophobicContact CD1-CG2 3.9Å; L495-V612 HydrophobicContact CD2-CB 4.43Å; L495-V612 HydrophobicContact CD2-CG1 4.13Å; L495-V612 HydrophobicContact CD2-CG2 3.91Å; S519-V612 VanDerWaalsContact OG-CG2 3.25Å; S519-V612 WeakPolarHBondContact OG-CG2 3.44Å; D610-V612 PolarHBondContact O-N 3.12Å; D610-V612 PolarHBondContact OD1-N 2.91Å; V612-I614 PolarHBondContact O-N 2.89Å; V612-H615 WeakPolarHBondContact O-CB 3.43Å; V612-H615 PolarHBondContact O-N 3.42Å; V612-E616 PolarHBondContact O-N 2.85Å |
| 613 | G | 70 | Confident | 75.1 | Confident | 4 Ų | 4 | 30.6 Ų | 30.6 | 4% | 0.041 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.4 | -27.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S567 D610 S617 | S567-G613 VanDerWaalsContact CB-CA 3.41Å; D610-G613 PolarHBondContact OD1-N 3.37Å; G613-S617 VanDerWaalsContact O-CB 3.24Å; G613-S617 WeakPolarHBondContact O-CB 3.04Å; G613-S617 PolarHBondContact O-N 3.5Å; G613-S617 PolarHBondContact O-OG 2.86Å |
| 614 | I | 73.4 | Confident | 73.3 | Confident | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.015 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.4 | -41.2 | 170.9 | -77.1 | 171.5 | 0 | 0 | 0 | 111.2 | Y467 L570 T573 D610 V612 S617 L618 | Y467-I614 HydrophobicContact CD2-CG2 3.85Å; Y467-I614 HydrophobicContact CE2-CG2 3.69Å; L570-I614 HydrophobicContact CD2-CB 4.28Å; L570-I614 HydrophobicContact CD2-CG1 4.31Å; L570-I614 HydrophobicContact CD2-CG2 3.85Å; T573-I614 HydrophobicContact CG2-CD1 4.41Å; T573-I614 WeakPolarHBondContact OG1-CD1 3.36Å; D610-I614 WeakPolarHBondContact O-CB 3.24Å; D610-I614 WeakPolarHBondContact O-CD1 3.15Å; D610-I614 VanDerWaalsContact O-CG1 3.27Å; D610-I614 WeakPolarHBondContact O-CG1 3.37Å; D610-I614 PolarHBondContact O-N 3.48Å; V612-I614 PolarHBondContact O-N 2.89Å; I614-S617 PolarHBondContact O-N 3.28Å; I614-L618 WeakPolarHBondContact O-CB 3.13Å; I614-L618 PolarHBondContact O-N 3.2Å |
| 615 | H | 68 | Low | 71.4 | Confident | 93 Ų | 93 | 40.3 Ų | 40.3 | 43% | 0.431 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.6 | -46.5 | 176.6 | -173.7 | 76.7 | 0 | 0 | 0 | 112 | P611 V612 S617 L618 L619 | P611-H615 WeakPolarHBondContact O-CB 3.5Å; P611-H615 PolarHBondContact O-N 3Å; P611-H615 VanDerWaalsContact O-N 3.16Å; V612-H615 WeakPolarHBondContact O-CB 3.43Å; V612-H615 PolarHBondContact O-N 3.42Å; H615-S617 VanDerWaalsContact C-N 3.34Å; H615-S617 PolarHBondContact O-N 3.5Å; H615-L618 PolarHBondContact O-N 3.34Å; H615-L619 WeakPolarHBondContact O-CG 3.39Å; H615-L619 PolarHBondContact O-N 3.4Å |
| 616 | E | 66.5 | Low | 69.3 | Low | 107 Ų | 107 | 45.2 Ų | 45.2 | 50% | 0.5 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.8 | -44.5 | 174.4 | -68.8 | 179.1 | 169.2 | 0 | 0 | 111.9 | V612 L618 L619 S620 | V612-E616 PolarHBondContact O-N 2.85Å; E616-L618 VanDerWaalsContact C-N 3.35Å; E616-L618 PolarHBondContact O-N 3.47Å; E616-L619 PolarHBondContact O-N 3.37Å; E616-S620 PolarHBondContact O-N 3.14Å |
| 617 | S | 67.1 | Low | 67 | Low | 13 Ų | 13 | 50.4 Ų | 50.4 | 9% | 0.091 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 176.3 | -68.4 | 0 | 0 | 0 | 0 | 111.9 | S567 G613 I614 H615 S620 V621 | S567-S617 PolarHBondContact O-OG 2.94Å; S567-S617 VanDerWaalsContact O-OG 3.08Å; G613-S617 VanDerWaalsContact O-CB 3.24Å; G613-S617 WeakPolarHBondContact O-CB 3.04Å; G613-S617 PolarHBondContact O-N 3.5Å; G613-S617 PolarHBondContact O-OG 2.86Å; I614-S617 PolarHBondContact O-N 3.28Å; H615-S617 VanDerWaalsContact C-N 3.34Å; H615-S617 PolarHBondContact O-N 3.5Å; S617-S620 PolarHBondContact O-N 3.34Å; S617-S620 PolarHBondContact O-OG 2.97Å; S617-V621 WeakPolarHBondContact O-CG2 3.37Å; S617-V621 PolarHBondContact O-N 2.98Å; S617-V621 VanDerWaalsContact O-N 3.14Å |
| 618 | L | 66.6 | Low | 64.7 | Low | 20 Ų | 20 | 57.7 Ų | 57.7 | 11% | 0.105 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 177.7 | -173.9 | 66 | 0 | 0 | 0 | 112.4 | Y467 I614 H615 E616 S620 V621 K622 | Y467-L618 HydrophobicContact CE2-CD2 4.47Å; I614-L618 WeakPolarHBondContact O-CB 3.13Å; I614-L618 PolarHBondContact O-N 3.2Å; H615-L618 PolarHBondContact O-N 3.34Å; E616-L618 VanDerWaalsContact C-N 3.35Å; E616-L618 PolarHBondContact O-N 3.47Å; L618-S620 VanDerWaalsContact C-N 3.33Å; L618-S620 PolarHBondContact O-N 3.11Å; L618-V621 WeakPolarHBondContact O-CB 3.09Å; L618-V621 PolarHBondContact O-N 3.18Å; L618-K622 PolarHBondContact O-N 3.02Å |
| 619 | L | 65.2 | Low | 62.9 | Low | 77 Ų | 77 | 63.7 Ų | 63.7 | 40% | 0.403 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 173.6 | -70 | 174 | 0 | 0 | 0 | 111.6 | H615 E616 V621 K622 Q623 | H615-L619 WeakPolarHBondContact O-CG 3.39Å; H615-L619 PolarHBondContact O-N 3.4Å; E616-L619 PolarHBondContact O-N 3.37Å; L619-V621 VanDerWaalsContact C-N 3.29Å; L619-V621 PolarHBondContact O-N 2.72Å; L619-K622 PolarHBondContact O-N 2.85Å; L619-Q623 PolarHBondContact O-N 3.07Å |
| 620 | S | 62.5 | Low | 60.6 | Low | 33 Ų | 33 | 72 Ų | 72 | 23% | 0.231 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.1 | -33.9 | 177.5 | 90.2 | 0 | 0 | 0 | 0 | 112.9 | E616 S617 L618 K624 Y817 | E616-S620 PolarHBondContact O-N 3.14Å; S617-S620 PolarHBondContact O-N 3.34Å; S617-S620 PolarHBondContact O-OG 2.97Å; L618-S620 VanDerWaalsContact C-N 3.33Å; L618-S620 PolarHBondContact O-N 3.11Å; S620-K624 WeakPolarHBondContact O-CD 3.17Å; S620-K624 VanDerWaalsContact O-CG 3.31Å; S620-K624 WeakPolarHBondContact O-CG 3.44Å; S620-K624 PolarHBondContact O-N 3.19Å; S620-Y817 PolarHBondContact OG-OH 3.28Å |
| 621 | V | 63.6 | Low | 58.5 | Low | 12 Ų | 12 | 73.7 Ų | 73.7 | 7% | 0.073 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65 | -48.7 | 174.3 | 173.6 | 0 | 0 | 0 | 0 | 110.2 | L570 S617 L618 L619 Q623 K624 Q625 Y817 | L570-V621 HydrophobicContact CD1-CG2 4.27Å; S617-V621 WeakPolarHBondContact O-CG2 3.37Å; S617-V621 PolarHBondContact O-N 2.98Å; S617-V621 VanDerWaalsContact O-N 3.14Å; L618-V621 WeakPolarHBondContact O-CB 3.09Å; L618-V621 PolarHBondContact O-N 3.18Å; L619-V621 VanDerWaalsContact C-N 3.29Å; L619-V621 PolarHBondContact O-N 2.72Å; V621-Q623 PolarHBondContact O-N 3.18Å; V621-K624 PolarHBondContact O-N 2.96Å; V621-Q625 HydrophobicContact CG1-CG 4.48Å; V621-Q625 WeakPolarHBondContact O-CG 3.31Å; V621-Q625 PolarHBondContact O-N 3.01Å; V621-Y817 HydrophobicContact CG2-CD1 4.02Å; V621-Y817 HydrophobicContact CG2-CD2 3.57Å; V621-Y817 HydrophobicContact CG2-CE1 4.05Å; V621-Y817 HydrophobicContact CG2-CE2 3.58Å; V621-Y817 HydrophobicContact CG2-CG 3.78Å |
| 622 | K | 60.9 | Low | 56.7 | Low | 47 Ų | 47 | 81.7 Ų | 81.7 | 20% | 0.204 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.4 | -42.9 | -179.4 | -68.3 | -174.6 | -177.9 | -173.9 | 0 | 112.5 | D464 L618 L619 K624 Q625 N626 | D464-K622 IonicContact OD1-NZ 3.43Å; D464-K622 PolarHBondContact OD1-NZ 3.26Å; D464-K622 IonicContact OD2-NZ 2.61Å; D464-K622 PolarHBondContact OD2-NZ 2.86Å; L618-K622 PolarHBondContact O-N 3.02Å; L619-K622 PolarHBondContact O-N 2.85Å; K622-K624 PolarHBondContact O-N 3.02Å; K622-Q625 PolarHBondContact O-N 3.46Å; K622-N626 WeakPolarHBondContact O-CB 3.22Å; K622-N626 PolarHBondContact O-N 3.11Å |
| 623 | Q | 56.1 | Low | 55 | Low | 131 Ų | 131 | 86.4 Ų | 86.4 | 61% | 0.612 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -61 | -43.6 | 175.5 | -71.2 | -177.1 | 0.7 | 0 | 0 | 111.9 | L619 V621 N626 L627 | L619-Q623 PolarHBondContact O-N 3.07Å; V621-Q623 PolarHBondContact O-N 3.18Å; Q623-N626 PolarHBondContact O-N 3.24Å; Q623-L627 WeakPolarHBondContact O-CB 3.42Å; Q623-L627 WeakPolarHBondContact O-CG 3.35Å; Q623-L627 PolarHBondContact O-N 3Å |
| 624 | K | 54.5 | Low | 53.2 | Low | 109 Ų | 109 | 92.9 Ų | 92.9 | 47% | 0.474 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 176.9 | -73.8 | 169.3 | -179.4 | 169.9 | 0 | 112.7 | S620 V621 K622 M628 | S620-K624 WeakPolarHBondContact O-CD 3.17Å; S620-K624 VanDerWaalsContact O-CG 3.31Å; S620-K624 WeakPolarHBondContact O-CG 3.44Å; S620-K624 PolarHBondContact O-N 3.19Å; V621-K624 PolarHBondContact O-N 2.96Å; K622-K624 PolarHBondContact O-N 3.02Å; K624-M628 PolarHBondContact O-N 3.47Å; K624-M628 VanDerWaalsContact O-N 3.12Å |
| 625 | Q | 53.6 | Low | 51.3 | Low | 96 Ų | 96 | 100.8 Ų | 100.8 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.3 | -46.4 | 174.5 | -74.1 | 176.8 | -25.3 | 0 | 0 | 111.8 | V621 K622 L627 M628 N629 | V621-Q625 HydrophobicContact CG1-CG 4.48Å; V621-Q625 WeakPolarHBondContact O-CG 3.31Å; V621-Q625 PolarHBondContact O-N 3.01Å; K622-Q625 PolarHBondContact O-N 3.46Å; Q625-L627 PolarHBondContact O-N 3.44Å; Q625-M628 PolarHBondContact O-N 2.9Å; Q625-N629 PolarHBondContact O-N 3.39Å; Q625-N629 PolarHBondContact O-ND2 3.43Å |
| 626 | N | 49.2 | Very low | 49.5 | Very low | 103 Ų | 103 | 106.2 Ų | 106.2 | 55% | 0.551 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66 | -37 | 178.7 | -72.4 | -14.7 | 0 | 0 | 0 | 112.9 | K622 Q623 N629 Q630 | K622-N626 WeakPolarHBondContact O-CB 3.22Å; K622-N626 PolarHBondContact O-N 3.11Å; Q623-N626 PolarHBondContact O-N 3.24Å; N626-N629 WeakPolarHBondContact O-CB 3.33Å; N626-N629 PolarHBondContact O-N 3.48Å; N626-Q630 PolarHBondContact O-N 3.38Å |
| 627 | L | 44.9 | Very low | 47.8 | Very low | 108 Ų | 108 | 108 Ų | 108 | 57% | 0.565 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.7 | -39.1 | 175.5 | -77.4 | 165.4 | 0 | 0 | 0 | 112.7 | Q623 Q625 N629 Q630 S631 | Q623-L627 WeakPolarHBondContact O-CB 3.42Å; Q623-L627 WeakPolarHBondContact O-CG 3.35Å; Q623-L627 PolarHBondContact O-N 3Å; Q625-L627 PolarHBondContact O-N 3.44Å; L627-N629 PolarHBondContact O-N 2.87Å; L627-Q630 PolarHBondContact O-N 2.71Å; L627-Q630 VanDerWaalsContact O-N 3.12Å; L627-S631 PolarHBondContact O-N 3.23Å; L627-S631 VanDerWaalsContact O-N 3.14Å |
| 628 | M | 42.2 | Very low | 46.1 | Very low | 153 Ų | 153 | 111.7 Ų | 111.7 | 75% | 0.754 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.6 | -27 | 173.6 | -74.7 | -158.1 | -66.2 | 0 | 0 | 112.9 | K624 Q625 Q630 | K624-M628 PolarHBondContact O-N 3.47Å; K624-M628 VanDerWaalsContact O-N 3.12Å; Q625-M628 PolarHBondContact O-N 2.9Å; M628-Q630 VanDerWaalsContact C-N 3.27Å; M628-Q630 PolarHBondContact O-N 3.28Å |
| 629 | N | 47.3 | Very low | 44.6 | Very low | 133 Ų | 133 | 115.7 Ų | 115.7 | 71% | 0.711 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -11.1 | 173.4 | -69.1 | -23.8 | 0 | 0 | 0 | 113.9 | Q625 N626 L627 | Q625-N629 PolarHBondContact O-N 3.39Å; Q625-N629 PolarHBondContact O-ND2 3.43Å; N626-N629 WeakPolarHBondContact O-CB 3.33Å; N626-N629 PolarHBondContact O-N 3.48Å; L627-N629 PolarHBondContact O-N 2.87Å |
| 630 | Q | 38 | Very low | 43.2 | Very low | 175 Ų | 175 | 117.9 Ų | 117.9 | 82% | 0.818 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.5 | -13.1 | -172.6 | -70.9 | -167.2 | -13.3 | 0 | 0 | 116.6 | N626 L627 M628 | N626-Q630 PolarHBondContact O-N 3.38Å; L627-Q630 PolarHBondContact O-N 2.71Å; L627-Q630 VanDerWaalsContact O-N 3.12Å; M628-Q630 VanDerWaalsContact C-N 3.27Å; M628-Q630 PolarHBondContact O-N 3.28Å |
| 631 | S | 33.3 | Very low | 41.8 | Very low | 68 Ų | 68 | 122.9 Ų | 122.9 | 48% | 0.476 | 64% | 0.637 | S | S | . | * | trans | -153.2 | 139.2 | 176 | 69.3 | 0 | 0 | 0 | 0 | 115.8 | L627 N633 | L627-S631 PolarHBondContact O-N 3.23Å; L627-S631 VanDerWaalsContact O-N 3.14Å; S631-N633 VanDerWaalsContact C-N 3.34Å; S631-N633 PolarHBondContact O-N 3.11Å | ||
| 632 | Q | 38.3 | Very low | 40.8 | Very low | 196 Ų | 196 | 125.9 Ų | 125.9 | 92% | 0.916 | 66% | 0.655 | S | S | * | * | trans | -90.6 | 24 | 174 | -70.7 | -166.8 | -17.8 | 0 | 0 | 113.8 | ||||
| 633 | N | 34.4 | Very low | 39.8 | Very low | 134 Ų | 134 | 129.6 Ų | 129.6 | 72% | 0.717 | 68% | 0.677 | S | S | * | * | trans | -103 | 123.5 | -176.8 | -89.1 | -27.3 | 0 | 0 | 0 | 113.2 | S631 H635 | S631-N633 VanDerWaalsContact C-N 3.34Å; S631-N633 PolarHBondContact O-N 3.11Å; N633-H635 PolarHBondContact O-N 3.43Å; N633-H635 VanDerWaalsContact O-N 3.1Å | ||
| 634 | T | 32.1 | Very low | 39.4 | Very low | 140 Ų | 140 | 127.3 Ų | 127.3 | 86% | 0.859 | 67% | 0.669 | S | S | * | * | trans | -89.3 | 67.2 | -163.8 | 43.2 | 0 | 0 | 0 | 0 | 114 | K636 | T634-K636 PolarHBondContact O-N 3.37Š| ||
| 635 | H | 32.8 | Very low | 39.1 | Very low | 168 Ų | 168 | 128.7 Ų | 128.7 | 78% | 0.778 | 68% | 0.677 | S | S | * | * | trans | -73.9 | 109.4 | 169.1 | -81.8 | -84.3 | 0 | 0 | 0 | 111.8 | N633 L637 | N633-H635 PolarHBondContact O-N 3.43Å; N633-H635 VanDerWaalsContact O-N 3.1Å; H635-L637 PolarHBondContact O-N 3.2Å; H635-L637 VanDerWaalsContact O-N 3.12Å | ||
| 636 | K | 30.8 | Very low | 39.2 | Very low | 208 Ų | 208 | 128.5 Ų | 128.5 | 90% | 0.904 | 69% | 0.686 | S | S | * | * | trans | -66.2 | 103.5 | 163.1 | -73.7 | -176.4 | 175.2 | -177.4 | 0 | 109.1 | T634 | T634-K636 PolarHBondContact O-N 3.37Š| ||
| 637 | L | 30.7 | Very low | 39.9 | Very low | 145 Ų | 145 | 124.1 Ų | 124.1 | 76% | 0.759 | 66% | 0.663 | S | S | * | * | trans | -69.5 | 149.1 | 164.5 | -112.4 | 67.3 | 0 | 0 | 0 | 110.4 | H635 | H635-L637 PolarHBondContact O-N 3.2Å; H635-L637 VanDerWaalsContact O-N 3.12Å | ||
| 638 | S | 30 | Very low | 41.1 | Very low | 89 Ų | 89 | 121.7 Ų | 121.7 | 62% | 0.622 | 65% | 0.654 | S | S | * | * | trans | -67.5 | 156.6 | 175.8 | 39.1 | 0 | 0 | 0 | 0 | 112.1 | D640 | S638-D640 PolarHBondContact O-N 3.45Š| ||
| 639 | S | 35.6 | Very low | 42.9 | Very low | 105 Ų | 105 | 114.4 Ų | 114.4 | 73% | 0.734 | 62% | 0.618 | S | S | * | * | trans | -74.5 | 103.9 | 168.5 | 52.1 | 0 | 0 | 0 | 0 | 109.7 | N641 | S639-N641 PolarHBondContact O-N 2.84Š| ||
| 640 | D | 35.4 | Very low | 44.5 | Very low | 122 Ų | 122 | 108.4 Ų | 108.4 | 65% | 0.652 | 59% | 0.585 | S | S | * | * | trans | -71.1 | 114.6 | 173.8 | -62.6 | -42.8 | 0 | 0 | 0 | 109.8 | S638 V642 | S638-D640 PolarHBondContact O-N 3.45Å; D640-V642 HydrophobicContact CB-CG2 4.4Å; D640-V642 PolarHBondContact O-N 3.41Å | ||
| 641 | N | 34.7 | Very low | 46.3 | Very low | 139 Ų | 139 | 105.2 Ų | 105.2 | 74% | 0.743 | 57% | 0.574 | S | S | * | * | trans | -74.2 | 68.1 | 172.7 | -71.7 | -8.5 | 0 | 0 | 0 | 109.9 | S639 D643 | S639-N641 PolarHBondContact O-N 2.84Å; N641-D643 VanDerWaalsContact C-N 3.32Å; N641-D643 PolarHBondContact O-N 2.97Å; N641-D643 VanDerWaalsContact O-N 3.1Å | ||
| 642 | V | 42.1 | Very low | 48.6 | Very low | 75 Ų | 75 | 103.4 Ų | 103.4 | 46% | 0.455 | 56% | 0.559 | S | S | . | * | trans | -74.5 | 95.2 | 161 | -175.5 | 0 | 0 | 0 | 0 | 106.5 | K568 D640 | K568-V642 PolarHBondContact NZ-O 2.79Å; D640-V642 HydrophobicContact CB-CG2 4.4Å; D640-V642 PolarHBondContact O-N 3.41Å | ||
| 643 | D | 40 | Very low | 50.7 | Low | 124 Ų | 124 | 102 Ų | 102 | 66% | 0.663 | 55% | 0.552 | S | S | * | * | trans | -58.2 | 164.7 | 178.5 | -78 | -39.4 | 0 | 0 | 0 | 112 | N641 H645 | N641-D643 VanDerWaalsContact C-N 3.32Å; N641-D643 PolarHBondContact O-N 2.97Å; N641-D643 VanDerWaalsContact O-N 3.1Å; D643-H645 PolarHBondContact O-N 2.99Å | ||
| 644 | D | 47.3 | Very low | 52.9 | Low | 84 Ų | 84 | 100.3 Ų | 100.3 | 45% | 0.449 | 54% | 0.543 | S | S | . | . | trans | -72 | 73.1 | -179.3 | -166.7 | 53.5 | 0 | 0 | 0 | 110.8 | N566 S646 S749 | N566-D644 PolarHBondContact ND2-OD1 3.46Å; D644-S646 PolarHBondContact O-N 2.81Å; D644-S749 WeakPolarHBondContact OD2-CB 3.42Å; D644-S749 PolarHBondContact OD2-OG 2.79Å | ||
| 645 | H | 49.2 | Very low | 55.4 | Low | 137 Ų | 137 | 93.7 Ų | 93.7 | 63% | 0.634 | 50% | 0.502 | S | S | * | . | trans | -54.9 | 122.3 | 178.2 | -77.4 | -70.4 | 0 | 0 | 0 | 110.2 | D643 N647 | D643-H645 PolarHBondContact O-N 2.99Å; H645-N647 PolarHBondContact O-N 2.9Å | ||
| 646 | S | 53.9 | Low | 57.8 | Low | 93 Ų | 93 | 88.1 Ų | 88.1 | 65% | 0.65 | 48% | 0.477 | S | S | * | . | trans | -60.9 | 106.8 | -172.8 | 54.9 | 0 | 0 | 0 | 0 | 111.5 | D644 P648 | D644-S646 PolarHBondContact O-N 2.81Å; S646-P648 WeakPolarHBondContact O-CD 3.31Å; S646-P648 VanDerWaalsContact O-N 3.14Å | ||
| 647 | N | 65.4 | Low | 60.1 | Low | 11 Ų | 11 | 83.3 Ų | 83.3 | 6% | 0.059 | 46% | 0.456 | C | S | . | . | trans | -57.1 | 118.4 | -177.3 | -173.8 | -21.9 | 0 | 0 | 0 | 110.6 | L565 L609 H645 I649 F650 R753 | L565-N647 PolarHBondContact O-ND2 3.23Å; L565-N647 VanDerWaalsContact O-ND2 3.13Å; L609-N647 VanDerWaalsContact C-ND2 3.29Å; L609-N647 PolarHBondContact O-ND2 3.02Å; L609-N647 PolarHBondContact O-OD1 3.48Å; H645-N647 PolarHBondContact O-N 2.9Å; N647-I649 VanDerWaalsContact C-N 3.26Å; N647-I649 PolarHBondContact O-N 3.32Å; N647-I649 VanDerWaalsContact OD1-CG2 3.23Å; N647-I649 WeakPolarHBondContact OD1-CG2 3.44Å; N647-I649 PolarHBondContact OD1-N 3.35Å; N647-I649 VanDerWaalsContact OD1-N 3.09Å; N647-F650 HydrophobicContact CB-CD2 4.36Å; N647-F650 HydrophobicContact CB-CE2 4.29Å; N647-R753 PolarHBondContact O-NH1 3.25Å | ||
| 648 | P | 69.3 | Low | 62.6 | Low | 57 Ų | 57 | 77.9 Ų | 77.9 | 37% | 0.37 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -73.2 | -11.1 | -173.9 | 28.8 | -36.3 | 0 | 0 | 0 | 114.2 | V493 S646 F650 D651 | V493-P648 HydrophobicContact CG1-CB 4.28Å; V493-P648 HydrophobicContact CG1-CG 3.56Å; S646-P648 WeakPolarHBondContact O-CD 3.31Å; S646-P648 VanDerWaalsContact O-N 3.14Å; P648-F650 PolarHBondContact O-N 3.35Å; P648-D651 PolarHBondContact O-N 2.94Å |
| 649 | I | 80.5 | Confident | 65.1 | Low | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -59.7 | -31.7 | -177.6 | -166.3 | 58.5 | 0 | 0 | 0 | 113.4 | I491 V493 V521 L609 N647 D651 N652 F655 | I491-I649 HydrophobicContact CB-CD1 4.34Å; I491-I649 HydrophobicContact CG2-CD1 3.74Å; V493-I649 HydrophobicContact CG2-CD1 3.84Å; V521-I649 HydrophobicContact CB-CD1 4.03Å; V521-I649 HydrophobicContact CG1-CD1 4.06Å; V521-I649 HydrophobicContact CG1-CG1 4.34Å; V521-I649 HydrophobicContact CG2-CD1 4.1Å; V521-I649 HydrophobicContact CG2-CG1 4.49Å; L609-I649 HydrophobicContact CB-CG2 4.25Å; L609-I649 HydrophobicContact CD2-CG1 4.14Å; L609-I649 HydrophobicContact CD2-CG2 4.27Å; N647-I649 VanDerWaalsContact C-N 3.26Å; N647-I649 PolarHBondContact O-N 3.32Å; N647-I649 VanDerWaalsContact OD1-CG2 3.23Å; N647-I649 WeakPolarHBondContact OD1-CG2 3.44Å; N647-I649 PolarHBondContact OD1-N 3.35Å; N647-I649 VanDerWaalsContact OD1-N 3.09Å; I649-D651 VanDerWaalsContact C-N 3.31Å; I649-D651 PolarHBondContact O-N 3.09Å; I649-N652 HydrophobicContact CD1-CB 4.32Å; I649-N652 WeakPolarHBondContact O-CB 3.46Å; I649-N652 PolarHBondContact O-N 2.72Å; I649-N652 VanDerWaalsContact O-N 3.14Å; I649-F655 HydrophobicContact CD1-CB 4.22Å; I649-F655 HydrophobicContact CD1-CG 4.46Å; I649-F655 HydrophobicContact CG1-CB 4.36Å; I649-F655 HydrophobicContact CG1-CD2 4.11Å; I649-F655 HydrophobicContact CG1-CG 4.12Å |
| 650 | F | 80.4 | Confident | 67.3 | Low | 6 Ų | 6 | 74 Ų | 74 | 3% | 0.026 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -71.8 | -22.2 | -177.6 | -63.4 | -76.8 | 0 | 0 | 0 | 113.4 | L565 N647 P648 F655 Q656 R753 L754 | L565-F650 HydrophobicContact CD2-CZ 3.86Å; N647-F650 HydrophobicContact CB-CD2 4.36Å; N647-F650 HydrophobicContact CB-CE2 4.29Å; P648-F650 PolarHBondContact O-N 3.35Å; F650-F655 HydrophobicContact CD1-CE1 4.08Å; F650-F655 HydrophobicContact CE1-CE1 4.49Å; F650-Q656 PolarHBondContact O-NE2 3.06Å; F650-R753 HydrophobicContact CB-CB 4.41Å; F650-R753 HydrophobicContact CG-CB 4.36Å; F650-L754 HydrophobicContact CE1-CB 4.43Å; F650-L754 HydrophobicContact CE1-CD1 4.39Å |
| 651 | D | 75.5 | Confident | 69.5 | Low | 108 Ų | 108 | 72.6 Ų | 72.6 | 58% | 0.578 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -89.5 | -6.4 | 173 | -55 | -41.6 | 0 | 0 | 0 | 112.3 | P648 I649 E653 R753 | P648-D651 PolarHBondContact O-N 2.94Å; I649-D651 VanDerWaalsContact C-N 3.31Å; I649-D651 PolarHBondContact O-N 3.09Å; D651-E653 PolarHBondContact O-N 3.14Å; D651-R753 IonicContact OD1-CZ 2.68Å; D651-R753 IonicContact OD1-NH2 3.88Å; D651-R753 PolarHBondContact OD1-NH2 3.32Å; D651-R753 IonicContact OD2-CZ 3.49Å; D651-R753 IonicContact OD2-NH2 2.65Å; D651-R753 PolarHBondContact OD2-NH2 3.08Å |
| 652 | N | 82.1 | Confident | 71.9 | Confident | 30 Ų | 30 | 66.1 Ų | 66.1 | 16% | 0.16 | 34% | 0.338 | C | S | . | . | trans | -71.7 | 116.2 | -177.2 | -170.1 | -68 | 0 | 0 | 0 | 110.6 | I491 T492 I649 N654 F655 Q656 | I491-N652 WeakPolarHBondContact CG2-OD1 3.46Å; T492-N652 PolarHBondContact O-ND2 2.71Å; I649-N652 HydrophobicContact CD1-CB 4.32Å; I649-N652 WeakPolarHBondContact O-CB 3.46Å; I649-N652 PolarHBondContact O-N 2.72Å; I649-N652 VanDerWaalsContact O-N 3.14Å; N652-N654 PolarHBondContact O-N 3.24Å; N652-N654 VanDerWaalsContact O-N 3.15Å; N652-N654 WeakPolarHBondContact OD1-CB 3.45Å; N652-N654 PolarHBondContact OD1-N 2.93Å; N652-N654 VanDerWaalsContact OD1-N 3.08Å; N652-F655 HydrophobicContact CB-CB 4.15Å; N652-F655 WeakPolarHBondContact O-CB 3.29Å; N652-F655 PolarHBondContact O-N 3.1Å; N652-F655 PolarHBondContact OD1-N 2.79Å; N652-Q656 PolarHBondContact O-N 3.34Å | ||
| 653 | E | 81.6 | Confident | 74 | Confident | 166 Ų | 166 | 66.6 Ų | 66.6 | 78% | 0.776 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -54.8 | -36.1 | -177.5 | -64.4 | -171.4 | 166.7 | 0 | 0 | 113 | D651 K657 | D651-E653 PolarHBondContact O-N 3.14Å; E653-K657 WeakPolarHBondContact O-CB 3.16Å; E653-K657 PolarHBondContact O-N 2.74Å |
| 654 | N | 81 | Confident | 76.4 | Confident | 99 Ų | 99 | 61.2 Ų | 61.2 | 53% | 0.529 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69.5 | -38.1 | 178.3 | -68 | -49.6 | 0 | 0 | 0 | 111.9 | N652 K657 I658 | N652-N654 PolarHBondContact O-N 3.24Å; N652-N654 VanDerWaalsContact O-N 3.15Å; N652-N654 WeakPolarHBondContact OD1-CB 3.45Å; N652-N654 PolarHBondContact OD1-N 2.93Å; N652-N654 VanDerWaalsContact OD1-N 3.08Å; N654-K657 PolarHBondContact O-N 3.48Å; N654-I658 WeakPolarHBondContact O-CB 3.22Å; N654-I658 WeakPolarHBondContact O-CD1 3.33Å; N654-I658 WeakPolarHBondContact O-CG1 3.29Å; N654-I658 PolarHBondContact O-N 3.45Å |
| 655 | F | 84.5 | Confident | 78.4 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.8 | -49.4 | 174 | 178.6 | -100.5 | 0 | 0 | 0 | 111.1 | I491 F606 L609 I649 F650 N652 K657 T659 L757 | I491-F655 HydrophobicContact CD1-CB 4Å; I491-F655 HydrophobicContact CD1-CD2 4.13Å; F606-F655 HydrophobicContact CD1-CE2 4.25Å; F606-F655 HydrophobicContact CD2-CE2 4.32Å; F606-F655 AromaticContact CE1-CD2 3.88Å; F606-F655 HydrophobicContact CE1-CD2 3.88Å; F606-F655 AromaticContact CE1-CE2 3.91Å; F606-F655 HydrophobicContact CE1-CE2 3.91Å; F606-F655 AromaticContact CE2-CE2 3.96Å; F606-F655 HydrophobicContact CE2-CE2 3.96Å; F606-F655 HydrophobicContact CG-CE2 4.45Å; F606-F655 AromaticContact CZ-CD2 3.86Å; F606-F655 HydrophobicContact CZ-CD2 3.86Å; F606-F655 AromaticContact CZ-CE2 3.75Å; F606-F655 HydrophobicContact CZ-CE2 3.75Å; L609-F655 HydrophobicContact CD2-CE2 4.24Å; I649-F655 HydrophobicContact CD1-CB 4.22Å; I649-F655 HydrophobicContact CD1-CG 4.46Å; I649-F655 HydrophobicContact CG1-CB 4.36Å; I649-F655 HydrophobicContact CG1-CD2 4.11Å; I649-F655 HydrophobicContact CG1-CG 4.12Å; F650-F655 HydrophobicContact CD1-CE1 4.08Å; F650-F655 HydrophobicContact CE1-CE1 4.49Å; N652-F655 HydrophobicContact CB-CB 4.15Å; N652-F655 WeakPolarHBondContact O-CB 3.29Å; N652-F655 PolarHBondContact O-N 3.1Å; N652-F655 PolarHBondContact OD1-N 2.79Å; F655-K657 VanDerWaalsContact C-N 3.29Å; F655-K657 PolarHBondContact O-N 3.19Å; F655-T659 HydrophobicContact CD2-CG2 4.4Å; F655-T659 HydrophobicContact CE1-CG2 4.36Å; F655-T659 HydrophobicContact CE2-CG2 4.04Å; F655-T659 HydrophobicContact CZ-CG2 4.01Å; F655-T659 WeakPolarHBondContact O-CB 3.37Å; F655-T659 WeakPolarHBondContact O-CG2 3.29Å; F655-T659 PolarHBondContact O-N 3.08Å; F655-T659 VanDerWaalsContact O-N 3.09Å; F655-T659 PolarHBondContact O-OG1 2.9Å; F655-L757 HydrophobicContact CE1-CD2 4.02Å |
| 656 | Q | 82.8 | Confident | 80.4 | Confident | 52 Ų | 52 | 51.8 Ų | 51.8 | 24% | 0.243 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.5 | -38.3 | 176.6 | -60.2 | -159.4 | 8.2 | 0 | 0 | 112.4 | F650 N652 T659 R660 L757 | F650-Q656 PolarHBondContact O-NE2 3.06Å; N652-Q656 PolarHBondContact O-N 3.34Å; Q656-T659 PolarHBondContact O-OG1 3.35Å; Q656-R660 VanDerWaalsContact O-CB 3.29Å; Q656-R660 WeakPolarHBondContact O-CB 3.21Å; Q656-R660 VanDerWaalsContact O-CG 3.25Å; Q656-R660 WeakPolarHBondContact O-CG 3.48Å; Q656-R660 PolarHBondContact O-N 2.72Å; Q656-R660 VanDerWaalsContact O-N 3.1Å; Q656-L757 HydrophobicContact CB-CD1 3.89Å; Q656-L757 HydrophobicContact CG-CD1 3.53Å |
| 657 | K | 80.8 | Confident | 82.3 | Confident | 106 Ų | 106 | 47.4 Ų | 47.4 | 46% | 0.461 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68 | -52.9 | 179.1 | -177.2 | 171.6 | -172.7 | 166.7 | 0 | 112.2 | E653 N654 F655 T659 R660 E661 | E653-K657 WeakPolarHBondContact O-CB 3.16Å; E653-K657 PolarHBondContact O-N 2.74Å; N654-K657 PolarHBondContact O-N 3.48Å; F655-K657 VanDerWaalsContact C-N 3.29Å; F655-K657 PolarHBondContact O-N 3.19Å; K657-T659 VanDerWaalsContact C-N 3.31Å; K657-T659 PolarHBondContact O-N 2.98Å; K657-R660 PolarHBondContact O-N 3.48Å; K657-E661 WeakPolarHBondContact CE-OE1 2.95Å; K657-E661 HydrophobicContact CG-CG 4.2Å; K657-E661 WeakPolarHBondContact CG-OE1 3.45Å; K657-E661 WeakPolarHBondContact O-CB 2.99Å; K657-E661 WeakPolarHBondContact O-CG 3.49Å; K657-E661 PolarHBondContact O-N 3.27Å |
| 658 | I | 82 | Confident | 83.6 | Confident | 32 Ų | 32 | 46.9 Ų | 46.9 | 16% | 0.164 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.2 | -47.2 | 179.4 | -69.7 | 163.9 | 0 | 0 | 0 | 110.1 | H489 I491 L604 N654 R660 F662 | H489-I658 HydrophobicContact CB-CD1 4.15Å; I491-I658 HydrophobicContact CD1-CD1 4.18Å; I491-I658 HydrophobicContact CG1-CD1 4.49Å; L604-I658 HydrophobicContact CD2-CG2 3.99Å; N654-I658 WeakPolarHBondContact O-CB 3.22Å; N654-I658 WeakPolarHBondContact O-CD1 3.33Å; N654-I658 WeakPolarHBondContact O-CG1 3.29Å; N654-I658 PolarHBondContact O-N 3.45Å; I658-R660 PolarHBondContact O-N 2.98Å; I658-F662 WeakPolarHBondContact O-CB 3.48Å; I658-F662 PolarHBondContact O-N 3.46Å; I658-F662 VanDerWaalsContact O-N 3.13Å |
| 659 | T | 82.6 | Confident | 84.5 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.7 | -33.5 | -178.4 | 50.7 | 0 | 0 | 0 | 0 | 114.1 | F655 Q656 K657 | F655-T659 HydrophobicContact CD2-CG2 4.4Å; F655-T659 HydrophobicContact CE1-CG2 4.36Å; F655-T659 HydrophobicContact CE2-CG2 4.04Å; F655-T659 HydrophobicContact CZ-CG2 4.01Å; F655-T659 WeakPolarHBondContact O-CB 3.37Å; F655-T659 WeakPolarHBondContact O-CG2 3.29Å; F655-T659 PolarHBondContact O-N 3.08Å; F655-T659 VanDerWaalsContact O-N 3.09Å; F655-T659 PolarHBondContact O-OG1 2.9Å; Q656-T659 PolarHBondContact O-OG1 3.35Å; K657-T659 VanDerWaalsContact C-N 3.31Å; K657-T659 PolarHBondContact O-N 2.98Å |
| 660 | R | 81.8 | Confident | 84.9 | Confident | 110 Ų | 110 | 44.2 Ų | 44.2 | 42% | 0.415 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -79.2 | -41.5 | 175.2 | -72.8 | 173.2 | 171.6 | 148.9 | -4.9 | 113 | Q656 K657 I658 F662 Q663 L757 | Q656-R660 VanDerWaalsContact O-CB 3.29Å; Q656-R660 WeakPolarHBondContact O-CB 3.21Å; Q656-R660 VanDerWaalsContact O-CG 3.25Å; Q656-R660 WeakPolarHBondContact O-CG 3.48Å; Q656-R660 PolarHBondContact O-N 2.72Å; Q656-R660 VanDerWaalsContact O-N 3.1Å; K657-R660 PolarHBondContact O-N 3.48Å; I658-R660 PolarHBondContact O-N 2.98Å; R660-F662 PolarHBondContact O-N 2.94Å; R660-Q663 PolarHBondContact O-N 2.99Å; R660-L757 PolarHBondContact NE-O 3.41Å; R660-L757 PolarHBondContact NH2-O 2.92Å |
| 661 | E | 82.5 | Confident | 84.8 | Confident | 94 Ų | 94 | 44.1 Ų | 44.1 | 44% | 0.439 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.8 | -29.9 | 176.4 | -74.4 | -178.8 | 177.3 | 0 | 0 | 111.8 | P552 K657 Q663 | P552-E661 WeakPolarHBondContact CG-O 3.32Å; K657-E661 WeakPolarHBondContact CE-OE1 2.95Å; K657-E661 HydrophobicContact CG-CG 4.2Å; K657-E661 WeakPolarHBondContact CG-OE1 3.45Å; K657-E661 WeakPolarHBondContact O-CB 2.99Å; K657-E661 WeakPolarHBondContact O-CG 3.49Å; K657-E661 PolarHBondContact O-N 3.27Å; E661-Q663 VanDerWaalsContact C-N 3.31Å; E661-Q663 PolarHBondContact O-N 3.37Å |
| 662 | F | 85.1 | Confident | 84.5 | Confident | 3 Ų | 3 | 39.1 Ų | 39.1 | 1% | 0.013 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -20.4 | 177.5 | -169 | -115.8 | 0 | 0 | 0 | 115 | L550 R558 V560 Q602 L604 I658 R660 P664 | L550-F662 HydrophobicContact CD2-CD2 3.82Å; L550-F662 HydrophobicContact CD2-CE2 3.53Å; L550-F662 HydrophobicContact CD2-CZ 4.48Å; L550-F662 HydrophobicContact CG-CD2 4.15Å; L550-F662 HydrophobicContact CG-CE2 3.96Å; R558-F662 HydrophobicContact CB-CD1 4.42Å; R558-F662 HydrophobicContact CB-CE1 3.89Å; R558-F662 HydrophobicContact CB-CZ 4.08Å; R558-F662 WeakPolarHBondContact CD-O 3.49Å; R558-F662 PolarHBondContact NE-O 2.86Å; R558-F662 VanDerWaalsContact NE-O 3.09Å; V560-F662 HydrophobicContact CG2-CD1 3.79Å; V560-F662 HydrophobicContact CG2-CE1 3.84Å; Q602-F662 HydrophobicContact CB-CE2 4.36Å; Q602-F662 HydrophobicContact CB-CZ 4.19Å; Q602-F662 HydrophobicContact CG-CE2 3.7Å; Q602-F662 HydrophobicContact CG-CZ 3.98Å; L604-F662 HydrophobicContact CB-CE1 4.02Å; L604-F662 HydrophobicContact CB-CE2 4.35Å; L604-F662 HydrophobicContact CB-CZ 3.92Å; L604-F662 HydrophobicContact CD2-CD1 4.39Å; L604-F662 HydrophobicContact CD2-CG 4.36Å; I658-F662 WeakPolarHBondContact O-CB 3.48Å; I658-F662 PolarHBondContact O-N 3.46Å; I658-F662 VanDerWaalsContact O-N 3.13Å; R660-F662 PolarHBondContact O-N 2.94Å; F662-P664 HydrophobicContact CD1-CB 4.13Å |
| 663 | Q | 86.1 | Confident | 83.3 | Confident | 84 Ų | 84 | 39.4 Ų | 39.4 | 39% | 0.393 | 18% | 0.184 | S | C | . | . | trans | 42.9 | 62.3 | -177.5 | -60.8 | -176.3 | 23 | 0 | 0 | 113.1 | R558 R660 E661 | R558-Q663 VanDerWaalsContact CZ-O 3.29Å; R558-Q663 PolarHBondContact NE-O 3.11Å; R558-Q663 PolarHBondContact NH2-O 3.28Å; R660-Q663 PolarHBondContact O-N 2.99Å; E661-Q663 VanDerWaalsContact C-N 3.31Å; E661-Q663 PolarHBondContact O-N 3.37Å | ||
| 664 | P | 90 | Very high | 81.9 | Confident | 12 Ų | 12 | 32.7 Ų | 32.7 | 8% | 0.078 | 15% | 0.154 | C | C | . | . | trans | -62.4 | 152.1 | -177.9 | 27 | -34.7 | 0 | 0 | 0 | 112.2 | V560 F662 I667 F758 P798 | V560-P664 HydrophobicContact CG2-CB 3.98Å; V560-P664 HydrophobicContact CG2-CG 4.37Å; F662-P664 HydrophobicContact CD1-CB 4.13Å; P664-I667 HydrophobicContact CB-CG1 4.28Å; P664-I667 HydrophobicContact CG-CD1 4.15Å; P664-I667 HydrophobicContact CG-CG1 4.28Å; P664-F758 HydrophobicContact CG-CE1 4.03Å; P664-P798 HydrophobicContact CG-CB 4.31Å | ||
| 665 | H | 89.6 | Confident | 80.3 | Confident | 20 Ų | 20 | 30 Ų | 30 | 9% | 0.093 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -96.2 | -26.9 | 166 | -50.1 | 90.2 | 0 | 0 | 0 | 110.8 | K556 I557 R558 F799 | K556-H665 PolarHBondContact O-CE1 3.06Å; I557-H665 HydrophobicContact CG2-CB 4.29Å; R558-H665 PolarHBondContact N-ND1 3.22Å; R558-H665 PolarHBondContact NH1-CE1 3.23Å; R558-H665 VanDerWaalsContact NH1-CE1 3.28Å; R558-H665 PolarHBondContact NH2-CE1 3.09Å; R558-H665 PolarHBondContact NH2-NE2 2.81Å; R558-H665 PolarHBondContact O-N 3.13Å; H665-F799 PolarHBondContact O-N 3.22Å |
| 666 | L | 92 | Very high | 78.5 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 143.1 | -175.1 | -179.4 | 62.7 | 0 | 0 | 0 | 111.6 | R558 I559 V560 I668 F799 L801 V841 | R558-L666 PolarHBondContact O-N 2.86Å; I559-L666 VanDerWaalsContact CA-O 3.32Å; I559-L666 WeakPolarHBondContact CA-O 3.42Å; I559-L666 HydrophobicContact CG1-CB 4.46Å; I559-L666 HydrophobicContact CG2-CB 4.35Å; I559-L666 HydrophobicContact CG2-CD2 4.18Å; I559-L666 HydrophobicContact CG2-CG 4.24Å; V560-L666 PolarHBondContact N-O 3.39Å; L666-I668 HydrophobicContact CD2-CD1 4.35Å; L666-I668 HydrophobicContact CD2-CG1 4.48Å; L666-I668 HydrophobicContact CG-CG1 4.32Å; L666-F799 CarbonylContact C-O 3.52Å; L666-F799 WeakPolarHBondContact CA-O 3.29Å; L666-F799 HydrophobicContact CD1-CB 3.8Å; L666-L801 HydrophobicContact CD1-CD1 3.79Å; L666-L801 HydrophobicContact CD1-CG 3.92Å; L666-V841 HydrophobicContact CD2-CG2 3.67Å |
| 667 | I | 92.7 | Very high | 76.5 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 138.4 | 175.1 | -53.6 | -176 | 0 | 0 | 0 | 109.1 | V560 L562 P664 L754 F758 P798 F799 I800 L801 | V560-I667 HydrophobicContact CB-CG1 4.22Å; V560-I667 HydrophobicContact CB-CG2 4.25Å; V560-I667 CarbonylContact O-C 3.59Å; V560-I667 WeakPolarHBondContact O-CA 3.22Å; L562-I667 HydrophobicContact CD1-CG2 4.45Å; P664-I667 HydrophobicContact CB-CG1 4.28Å; P664-I667 HydrophobicContact CG-CD1 4.15Å; P664-I667 HydrophobicContact CG-CG1 4.28Å; I667-L754 HydrophobicContact CG2-CD2 4.5Å; I667-F758 HydrophobicContact CD1-CD1 4.29Å; I667-F758 HydrophobicContact CD1-CD2 3.65Å; I667-F758 HydrophobicContact CD1-CE1 3.97Å; I667-F758 HydrophobicContact CD1-CE2 3.28Å; I667-F758 HydrophobicContact CD1-CG 4.15Å; I667-F758 HydrophobicContact CD1-CZ 3.45Å; I667-F758 VanDerWaalsContact CD1-CZ 3.45Å; I667-P798 HydrophobicContact CD1-CB 4.34Å; I667-P798 HydrophobicContact CD1-CG 4.06Å; I667-P798 HydrophobicContact CG1-CB 4.32Å; I667-F799 PolarHBondContact N-O 3.36Å; I667-I800 HydrophobicContact CB-CB 4.5Å; I667-I800 HydrophobicContact CB-CG1 4.3Å; I667-I800 HydrophobicContact CB-CG2 4.19Å; I667-I800 HydrophobicContact CD1-CD1 4.48Å; I667-I800 HydrophobicContact CD1-CG1 4.27Å; I667-I800 HydrophobicContact CG2-CG2 4.28Å; I667-L801 PolarHBondContact O-N 3.32Å |
| 668 | I | 92.5 | Very high | 74.8 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 123.8 | -178.1 | -53.9 | 174.1 | 0 | 0 | 0 | 109.5 | I559 V560 I561 L562 L666 L670 L801 L803 L837 F838 | I559-I668 HydrophobicContact CG2-CD1 4.08Å; I559-I668 HydrophobicContact CG2-CG1 4.45Å; V560-I668 PolarHBondContact O-N 3.28Å; I561-I668 CarbonylContact C-O 3.4Å; I561-I668 WeakPolarHBondContact CA-O 3.46Å; L562-I668 PolarHBondContact N-O 2.89Å; L666-I668 HydrophobicContact CD2-CD1 4.35Å; L666-I668 HydrophobicContact CD2-CG1 4.48Å; L666-I668 HydrophobicContact CG-CG1 4.32Å; I668-L670 HydrophobicContact CG2-CD2 4.3Å; I668-L801 CarbonylContact C-O 3.58Å; I668-L801 WeakPolarHBondContact CA-O 3.47Å; I668-L803 HydrophobicContact CG2-CB 4.27Å; I668-L803 HydrophobicContact CG2-CD1 4.4Å; I668-L837 HydrophobicContact CD1-CD2 3.89Å; I668-F838 HydrophobicContact CD1-CE1 4.32Å |
| 669 | T | 89.2 | Confident | 72.6 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 139.9 | 169.2 | 69.2 | 0 | 0 | 0 | 0 | 111.5 | L562 L565 E671 I700 L754 L801 R802 L803 | L562-T669 HydrophobicContact CD1-CG2 4.5Å; L562-T669 CarbonylContact O-C 3.57Å; L565-T669 HydrophobicContact CD1-CG2 4.45Å; T669-E671 WeakPolarHBondContact CB-OE1 3.37Å; T669-E671 PolarHBondContact OG1-OE1 3.38Å; T669-I700 HydrophobicContact CG2-CD1 4.46Å; T669-L754 HydrophobicContact CG2-CD2 3.78Å; T669-L801 PolarHBondContact N-O 2.81Å; T669-R802 WeakPolarHBondContact OG1-CA 3.43Å; T669-R802 WeakPolarHBondContact OG1-CG 3.26Å; T669-L803 WeakPolarHBondContact O-CB 3.39Å; T669-L803 PolarHBondContact O-N 2.85Å |
| 670 | L | 87.8 | Confident | 70.5 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 112.2 | 176.5 | -58 | -175.2 | 0 | 0 | 0 | 109.3 | I561 L562 A563 S572 A576 I668 L803 T805 | I561-L670 HydrophobicContact CG2-CD1 3.84Å; I561-L670 HydrophobicContact CG2-CD2 4.5Å; I561-L670 HydrophobicContact CG2-CG 3.94Å; L562-L670 PolarHBondContact O-N 2.68Å; A563-L670 HydrophobicContact CB-CB 4.05Å; A563-L670 HydrophobicContact CB-CD1 4.25Å; S572-L670 WeakPolarHBondContact CB-O 3.18Å; S572-L670 PolarHBondContact OG-O 3.43Å; A576-L670 HydrophobicContact CB-CD1 4.39Å; I668-L670 HydrophobicContact CG2-CD2 4.3Å; L670-L803 HydrophobicContact CD2-CB 4.11Å; L670-L803 HydrophobicContact CD2-CD1 4.04Å; L670-L803 HydrophobicContact CD2-CD2 4.07Å; L670-L803 HydrophobicContact CD2-CG 4.31Å; L670-T805 HydrophobicContact CB-CG2 4.07Å; L670-T805 HydrophobicContact CD2-CG2 4.26Å |
| 671 | E | 79.5 | Confident | 68 | Low | 5 Ų | 5 | 45.7 Ų | 45.7 | 2% | 0.023 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 139.2 | -169.8 | -70.6 | 167.6 | -148.4 | 0 | 0 | 112.9 | L565 T669 N673 R802 L803 G804 T805 | L565-E671 HydrophobicContact CD1-CG 3.69Å; T669-E671 WeakPolarHBondContact CB-OE1 3.37Å; T669-E671 PolarHBondContact OG1-OE1 3.38Å; E671-N673 WeakPolarHBondContact CB-ND2 3.38Å; E671-N673 PolarHBondContact OE2-ND2 3.1Å; E671-R802 WeakPolarHBondContact OE1-CG 3.47Å; E671-R802 VanDerWaalsContact OE2-CD 3.27Å; E671-R802 WeakPolarHBondContact OE2-CD 3.3Å; E671-R802 IonicContact OE2-CZ 2.68Å; E671-R802 IonicContact OE2-NE 2.65Å; E671-R802 PolarHBondContact OE2-NE 3.03Å; E671-L803 PolarHBondContact N-O 2.8Å; E671-G804 CarbonylContact O-C 3.56Å; E671-G804 WeakPolarHBondContact O-CA 3.49Å; E671-T805 PolarHBondContact O-N 3.03Å; E671-T805 PolarHBondContact O-OG1 3.07Å |
| 672 | S | 67.8 | Low | 65.6 | Low | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 119.1 | 163.4 | 61.2 | 0 | 0 | 0 | 0 | 109.5 | G806 | S672-G806 CarbonylContact C-O 3.34Å; S672-G806 VanDerWaalsContact CA-O 3.24Å; S672-G806 WeakPolarHBondContact CA-O 3.44Å |
| 673 | N | 57.6 | Low | 63.1 | Low | 37 Ų | 37 | 53 Ų | 53 | 20% | 0.198 | 27% | 0.274 | C | S | . | . | trans | -136.2 | 170.2 | -167.6 | -91.3 | -38.8 | 0 | 0 | 0 | 112.6 | E671 S675 G806 C807 | E671-N673 WeakPolarHBondContact CB-ND2 3.38Å; E671-N673 PolarHBondContact OE2-ND2 3.1Å; N673-S675 PolarHBondContact O-N 3.46Å; N673-S675 VanDerWaalsContact O-N 3.07Å; N673-G806 PolarHBondContact N-O 3.17Å; N673-C807 WeakPolarHBondContact O-CA 3.43Å | ||
| 674 | N | 51.9 | Low | 60.6 | Low | 25 Ų | 25 | 55.3 Ų | 55.3 | 13% | 0.134 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -8.3 | -170.5 | -48.5 | 14.6 | 0 | 0 | 0 | 114.6 | C737 T740 Y811 | N674-C737 WeakPolarHBondContact O-CB 3.34Å; N674-T740 PolarHBondContact ND2-OG1 3.08Å; N674-Y811 HydrophobicContact CB-CD2 4.31Å; N674-Y811 HydrophobicContact CB-CE2 4.21Å; N674-Y811 VanDerWaalsContact CG-CZ 3.45Å; N674-Y811 PolarHBondContact ND2-OH 3.46Å; N674-Y811 VanDerWaalsContact ND2-OH 3.09Å; N674-Y811 WeakPolarHBondContact OD1-CE2 3.5Å |
| 675 | S | 47 | Very low | 58 | Low | 41 Ų | 41 | 62 Ų | 62 | 29% | 0.287 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.9 | 30.1 | -142.3 | 51.3 | 0 | 0 | 0 | 0 | 116.1 | N673 K677 | N673-S675 PolarHBondContact O-N 3.46Å; N673-S675 VanDerWaalsContact O-N 3.07Å; S675-K677 PolarHBondContact O-N 3.48Å |
| 676 | I | 47.2 | Very low | 55.7 | Low | 48 Ų | 48 | 68.2 Ų | 68.2 | 25% | 0.246 | 36% | 0.362 | C | S | . | . | trans | -75.6 | 55.9 | 167.9 | -47.4 | -171.5 | 0 | 0 | 0 | 110.8 | C678 G806 | I676-C678 VanDerWaalsContact C-N 3.27Å; I676-C678 PolarHBondContact O-N 3.1Å; I676-C678 VanDerWaalsContact O-N 3.08Å; I676-G806 VanDerWaalsContact CD1-N 3.31Å | ||
| 677 | K | 42 | Very low | 53.1 | Low | 125 Ų | 125 | 74.7 Ų | 74.7 | 54% | 0.543 | 40% | 0.397 | S | S | . | . | trans | -87.9 | 71.9 | 176 | -148.2 | -179.9 | -147.3 | 179.5 | 0 | 109.4 | S675 S679 E739 | S675-K677 PolarHBondContact O-N 3.48Å; K677-S679 VanDerWaalsContact O-CB 3.25Å; K677-S679 WeakPolarHBondContact O-CB 3.28Å; K677-S679 PolarHBondContact O-N 2.84Å; K677-E739 WeakPolarHBondContact CD-OE1 3.29Å; K677-E739 WeakPolarHBondContact CE-OE1 3.48Å; K677-E739 IonicContact NZ-OE1 2.97Å; K677-E739 PolarHBondContact NZ-OE1 3.42Å; K677-E739 IonicContact NZ-OE2 3.7Å; K677-E739 PolarHBondContact NZ-OE2 3Å | ||
| 678 | C | 43.9 | Very low | 50.1 | Low | 57 Ų | 57 | 82.2 Ų | 82.2 | 39% | 0.385 | 44% | 0.437 | S | S | . | . | trans | -64.8 | 71.4 | -175.3 | -143.3 | 0 | 0 | 0 | 0 | 111.7 | I676 C729 | I676-C678 VanDerWaalsContact C-N 3.27Å; I676-C678 PolarHBondContact O-N 3.1Å; I676-C678 VanDerWaalsContact O-N 3.08Å; C678-C729 HydrophobicContact CB-CB 3.53Å; C678-C729 WeakPolarHBondContact CB-SG 3.42Å; C678-C729 WeakPolarHBondContact O-CB 3.31Å; C678-C729 WeakPolarHBondContact SG-CA 3.41Å; C678-C729 WeakPolarHBondContact SG-CB 3.38Å; C678-C729 CovalentContact SG-SG 2.03Å; C678-C729 PolarHBondContact SG-SG 2.66Å | ||
| 679 | S | 36.9 | Very low | 47.2 | Very low | 68 Ų | 68 | 87.1 Ų | 87.1 | 48% | 0.476 | 47% | 0.467 | S | S | . | . | trans | -117.4 | 71.8 | -158 | 172.1 | 0 | 0 | 0 | 0 | 112.3 | K677 R681 | K677-S679 VanDerWaalsContact O-CB 3.25Å; K677-S679 WeakPolarHBondContact O-CB 3.28Å; K677-S679 PolarHBondContact O-N 2.84Å; S679-R681 PolarHBondContact O-N 2.83Å | ||
| 680 | I | 36.6 | Very low | 44.5 | Very low | 140 Ų | 140 | 96.7 Ų | 96.7 | 72% | 0.718 | 51% | 0.511 | S | S | * | . | trans | -70.9 | 78.5 | 169.5 | -50 | 175.5 | 0 | 0 | 0 | 109.3 | ||||
| 681 | R | 29.3 | Very low | 41.7 | Very low | 194 Ų | 194 | 106.6 Ų | 106.6 | 73% | 0.732 | 55% | 0.549 | S | S | * | . | trans | -84.6 | 114.2 | 171.8 | -78.2 | -171.7 | 178.5 | -157.4 | -1.1 | 109.9 | S679 T683 | S679-R681 PolarHBondContact O-N 2.83Å; R681-T683 HydrophobicContact CB-CG2 4.12Å; R681-T683 PolarHBondContact O-N 3.12Å | ||
| 682 | N | 33.7 | Very low | 39.4 | Very low | 147 Ų | 147 | 113 Ų | 113 | 79% | 0.786 | 58% | 0.583 | S | S | * | * | trans | -66 | 78.8 | 166 | -76.8 | -21.3 | 0 | 0 | 0 | 110.6 | T684 | N682-T684 PolarHBondContact O-N 3.43Š| ||
| 683 | T | 31.9 | Very low | 37.9 | Very low | 104 Ų | 104 | 120.4 Ų | 120.4 | 64% | 0.638 | 62% | 0.617 | S | S | * | * | trans | -77.9 | 86.4 | 179 | 48.6 | 0 | 0 | 0 | 0 | 111.1 | R681 N685 | R681-T683 HydrophobicContact CB-CG2 4.12Å; R681-T683 PolarHBondContact O-N 3.12Å; T683-N685 PolarHBondContact O-N 2.03Å | ||
| 684 | T | 34.6 | Very low | 37.3 | Very low | 133 Ų | 133 | 123.3 Ų | 123.3 | 82% | 0.816 | 63% | 0.63 | S | S | * | * | trans | -74 | 6.5 | 174 | 48.4 | 0 | 0 | 0 | 0 | 114.4 | N682 | N682-T684 PolarHBondContact O-N 3.43Š| ||
| 685 | N | 35.1 | Very low | 37.3 | Very low | 151 Ų | 151 | 125.6 Ų | 125.6 | 81% | 0.807 | 64% | 0.642 | S | S | * | * | trans | -100.1 | 102.3 | 169.2 | -99.2 | -33.6 | 0 | 0 | 0 | 109.5 | T683 | T683-N685 PolarHBondContact O-N 2.03Š| ||
| 686 | I | 40.3 | Very low | 38.1 | Very low | 152 Ų | 152 | 125.7 Ų | 125.7 | 78% | 0.779 | 64% | 0.641 | S | S | * | * | trans | -80 | -19.1 | -171 | -70.9 | 170.3 | 0 | 0 | 0 | 113.1 | ||||
| 687 | N | 37 | Very low | 39.3 | Very low | 139 Ų | 139 | 123.5 Ų | 123.5 | 74% | 0.743 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -94.2 | 112.1 | -170.4 | -64.4 | -5.2 | 0 | 0 | 0 | 111.4 | ||
| 688 | N | 31.3 | Very low | 40.8 | Very low | 157 Ų | 157 | 120 Ų | 120 | 84% | 0.84 | 62% | 0.619 | S | S | * | * | S | Bend | trans | 64.5 | 93.9 | 176.9 | -56 | -17.7 | 0 | 0 | 0 | 115.4 | ||
| 689 | V | 30.2 | Very low | 42.4 | Very low | 104 Ų | 104 | 119.3 Ų | 119.3 | 63% | 0.63 | 62% | 0.618 | S | S | * | * | -175 | 125.4 | 117.1 | 144.1 | 0 | 0 | 0 | 0 | 109.1 | R691 | V689-R691 HydrophobicContact CG1-CB 3.8Å; V689-R691 HydrophobicContact CG1-CG 3.44Å; V689-R691 VanDerWaalsContact CG1-CG 3.44Å; V689-R691 PolarHBondContact O-N 3.44Å | |||
| 690 | Q | 32.7 | Very low | 44.4 | Very low | 200 Ų | 200 | 117.7 Ų | 117.7 | 94% | 0.935 | 60% | 0.603 | S | S | * | * | trans | -71.1 | 109.9 | 160.6 | -71.9 | 171.7 | -45.7 | 0 | 0 | 107.7 | ||||
| 691 | R | 29.2 | Very low | 46.6 | Very low | 210 Ų | 210 | 112.7 Ų | 112.7 | 79% | 0.792 | 58% | 0.577 | S | S | * | * | trans | -134.5 | 118 | 167.7 | -94.9 | 174.9 | -167.5 | 177.7 | 2.4 | 109.8 | V689 Q693 | V689-R691 HydrophobicContact CG1-CB 3.8Å; V689-R691 HydrophobicContact CG1-CG 3.44Å; V689-R691 VanDerWaalsContact CG1-CG 3.44Å; V689-R691 PolarHBondContact O-N 3.44Å; R691-Q693 PolarHBondContact O-N 3.25Å | ||
| 692 | N | 32 | Very low | 49 | Very low | 140 Ų | 140 | 105.9 Ų | 105.9 | 75% | 0.749 | 55% | 0.554 | S | S | * | * | trans | -57.3 | 122.8 | 176.8 | -55.2 | -8 | 0 | 0 | 0 | 108.7 | Q694 | N692-Q694 PolarHBondContact O-N 3.02Å; N692-Q694 VanDerWaalsContact O-N 3.11Å | ||
| 693 | Q | 35.1 | Very low | 50.9 | Low | 156 Ų | 156 | 99.7 Ų | 99.7 | 73% | 0.729 | 52% | 0.522 | S | S | * | . | trans | -73.9 | 98.8 | 165.4 | -70.7 | 177.4 | -21.2 | 0 | 0 | 106.4 | R691 L695 | R691-Q693 PolarHBondContact O-N 3.25Å; Q693-L695 PolarHBondContact O-N 3.27Å | ||
| 694 | Q | 44.7 | Very low | 52.5 | Low | 98 Ų | 98 | 105.7 Ų | 105.7 | 46% | 0.458 | 53% | 0.533 | S | S | . | . | trans | -70.4 | 120.4 | 174.9 | -79.3 | 177.9 | -45.4 | 0 | 0 | 108.9 | N692 | N692-Q694 PolarHBondContact O-N 3.02Å; N692-Q694 VanDerWaalsContact O-N 3.11Å | ||
| 695 | L | 51.9 | Low | 53.7 | Low | 74 Ų | 74 | 102.5 Ų | 102.5 | 39% | 0.387 | 51% | 0.511 | S | S | . | . | trans | -93.9 | 154 | -179.5 | -64.3 | 167.1 | 0 | 0 | 0 | 109.2 | Q693 L697 I724 | Q693-L695 PolarHBondContact O-N 3.27Å; L695-L697 WeakPolarHBondContact CB-O 3.39Å; L695-L697 PolarHBondContact O-N 3.22Å; L695-I724 HydrophobicContact CD1-CD1 3.75Å; L695-I724 HydrophobicContact CD2-CD1 3.64Å; L695-I724 HydrophobicContact CD2-CG1 4.1Å; L695-I724 HydrophobicContact CG-CD1 4.2Å | ||
| 696 | P | 63.7 | Low | 54.2 | Low | 42 Ų | 42 | 103.4 Ų | 103.4 | 27% | 0.273 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -66.4 | -14 | 174.1 | 28.2 | -36.1 | 0 | 0 | 0 | 113.5 | F723 L803 G804 | P696-F723 HydrophobicContact CB-CE1 4.09Å; P696-F723 HydrophobicContact CG-CD1 4.16Å; P696-F723 HydrophobicContact CG-CE1 3.74Å; P696-L803 WeakPolarHBondContact O-CA 3.37Å; P696-G804 PolarHBondContact O-N 3.5Å |
| 697 | L | 72.9 | Confident | 54.5 | Low | 2 Ų | 2 | 102.9 Ų | 102.9 | 1% | 0.01 | 51% | 0.514 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 129.5 | 172.2 | -170.6 | 77.2 | 0 | 0 | 0 | 109.3 | L695 F723 L801 R802 L803 L837 | L695-L697 WeakPolarHBondContact CB-O 3.39Å; L695-L697 PolarHBondContact O-N 3.22Å; L697-F723 HydrophobicContact CB-CD1 4.09Å; L697-F723 HydrophobicContact CB-CG 4.38Å; L697-F723 HydrophobicContact CD2-CB 4Å; L697-F723 HydrophobicContact CD2-CG 4.35Å; L697-L801 HydrophobicContact CD1-CB 4.22Å; L697-L801 HydrophobicContact CD1-CD1 4.35Å; L697-L801 HydrophobicContact CD2-CD1 4.26Å; L697-R802 CarbonylContact C-O 3.58Å; L697-R802 WeakPolarHBondContact CA-O 3.37Å; L697-L803 HydrophobicContact CD1-CB 4.19Å; L697-L803 HydrophobicContact CD1-CG 4.5Å; L697-L837 HydrophobicContact CD1-CD2 4.39Å; L697-L837 HydrophobicContact CD2-CD1 4.4Å |
| 698 | T | 73.5 | Confident | 55.2 | Low | 52 Ų | 52 | 100.1 Ų | 100.1 | 32% | 0.319 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 149.9 | 178.4 | 51.4 | 0 | 0 | 0 | 0 | 111.8 | L801 R802 | T698-L801 CarbonylContact O-C 3.4Å; T698-L801 WeakPolarHBondContact O-CA 3.49Å; T698-R802 PolarHBondContact N-O 3.07Å; T698-R802 PolarHBondContact O-N 3.11Å |
| 699 | A | 78 | Confident | 56.1 | Low | 43 Ų | 43 | 100 Ų | 100 | 36% | 0.355 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 135.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I702 F716 L801 | A699-I702 HydrophobicContact CB-CD1 4.21Å; A699-I702 HydrophobicContact CB-CG1 4.2Å; A699-F716 HydrophobicContact CB-CD2 4.21Å; A699-F716 HydrophobicContact CB-CE2 3.73Å; A699-F716 HydrophobicContact CB-CZ 3.96Å; A699-L801 HydrophobicContact CB-CD2 4.17Å |
| 700 | I | 79.6 | Confident | 57.5 | Low | 33 Ų | 33 | 96.9 Ų | 96.9 | 17% | 0.169 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -40.8 | 165.6 | -59.4 | 175.4 | 0 | 0 | 0 | 109.5 | T669 E751 I800 R802 | T669-I700 HydrophobicContact CG2-CD1 4.46Å; I700-E751 HydrophobicContact CD1-CG 4.11Å; I700-E751 VanDerWaalsContact CD1-OE1 3.29Å; I700-E751 WeakPolarHBondContact CD1-OE1 3.21Å; I700-I800 HydrophobicContact CB-CB 4.13Å; I700-I800 HydrophobicContact CB-CG2 3.89Å; I700-I800 HydrophobicContact CD1-CG2 4.03Å; I700-I800 HydrophobicContact CG1-CG2 4.43Å; I700-I800 HydrophobicContact CG2-CG2 4.26Å; I700-I800 PolarHBondContact N-O 3.43Å; I700-R802 HydrophobicContact CD1-CB 4.09Å; I700-R802 HydrophobicContact CG1-CB 4.19Å |
| 701 | H | 82.5 | Confident | 59 | Low | 35 Ų | 35 | 89.4 Ų | 89.4 | 16% | 0.162 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 146.5 | 178.3 | -170.6 | 50.1 | 0 | 0 | 0 | 113.1 | L755 E797 P798 I800 | H701-L755 HydrophobicContact CB-CD1 3.77Å; H701-E797 IonicContact CD2-OE2 3.63Å; H701-E797 IonicContact CE1-OE2 3.51Å; H701-E797 PolarHBondContact CE1-OE2 2.97Å; H701-E797 IonicContact NE2-OE2 2.81Å; H701-E797 PolarHBondContact NE2-OE2 3.2Å; H701-P798 PolarHBondContact CD2-O 3.42Å; H701-I800 HydrophobicContact CB-CB 4.01Å; H701-I800 HydrophobicContact CB-CD1 4.05Å; H701-I800 HydrophobicContact CB-CG1 3.99Å; H701-I800 PolarHBondContact N-O 3.38Å; H701-I800 VanDerWaalsContact N-O 3.15Å; H701-I800 PolarHBondContact O-N 3.3Å |
| 702 | I | 80.1 | Confident | 61 | Low | 51 Ų | 51 | 81.1 Ų | 81.1 | 26% | 0.262 | 41% | 0.41 | S | S | . | . | trans | -135.1 | 122.6 | 174 | -63.7 | 177.9 | 0 | 0 | 0 | 108 | A699 N712 F716 F799 | A699-I702 HydrophobicContact CB-CD1 4.21Å; A699-I702 HydrophobicContact CB-CG1 4.2Å; I702-N712 HydrophobicContact CG2-CB 4.22Å; I702-F716 HydrophobicContact CD1-CB 4.02Å; I702-F716 HydrophobicContact CD1-CD1 4.13Å; I702-F716 HydrophobicContact CD1-CD2 4.44Å; I702-F716 HydrophobicContact CD1-CG 3.9Å; I702-F799 HydrophobicContact CG1-CD1 4.4Å; I702-F799 HydrophobicContact CG1-CE1 4.49Å; I702-F799 HydrophobicContact CG2-CE1 3.93Å | ||
| 703 | P | 73.2 | Confident | 62.8 | Low | 18 Ų | 18 | 79.5 Ų | 79.5 | 12% | 0.117 | 40% | 0.4 | C | S | . | . | trans | -59.4 | 140.4 | 179.6 | -27.5 | 36.7 | 0 | 0 | 0 | 113.8 | N712 E797 F799 | P703-N712 PolarHBondContact O-ND2 3.43Å; P703-E797 HydrophobicContact CB-CB 4.07Å; P703-E797 HydrophobicContact CG-CB 3.99Å; P703-E797 WeakPolarHBondContact CG-O 3.41Å; P703-F799 HydrophobicContact CG-CD2 4.18Å; P703-F799 HydrophobicContact CG-CE2 4.18Å | ||
| 704 | R | 64.5 | Low | 64.4 | Low | 230 Ų | 230 | 76.2 Ų | 76.2 | 87% | 0.868 | 39% | 0.388 | S | S | * | . | trans | -100.7 | 123.4 | 175.5 | -61.7 | -179 | -174.8 | 173.8 | 3.6 | 110.7 | ||||
| 705 | D | 59.3 | Low | 66 | Low | 66 Ų | 66 | 71.8 Ų | 71.8 | 35% | 0.353 | 37% | 0.367 | S | S | . | . | trans | -126.6 | 119.8 | 174.2 | -158.6 | -39.1 | 0 | 0 | 0 | 109.4 | N707 K708 | D705-N707 PolarHBondContact OD1-N 2.75Å; D705-K708 HydrophobicContact CB-CD 4.47Å; D705-K708 WeakPolarHBondContact OD2-CD 3.35Å; D705-K708 WeakPolarHBondContact OD2-CE 3.03Å; D705-K708 IonicContact OD2-NZ 3.93Å; D705-K708 PolarHBondContact OD2-NZ 3.21Å | ||
| 706 | L | 46.4 | Very low | 67.3 | Low | 169 Ų | 169 | 69.8 Ų | 69.8 | 89% | 0.885 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -92.8 | -12.8 | -174.4 | -77.3 | 165.1 | 0 | 0 | 0 | 113.3 | ||
| 707 | N | 47.6 | Very low | 67.8 | Low | 142 Ų | 142 | 71.8 Ų | 71.8 | 76% | 0.759 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -107.3 | -11.7 | -170.3 | -69.2 | -22.4 | 0 | 0 | 0 | 113.6 | D705 | D705-N707 PolarHBondContact OD1-N 2.75Š|
| 708 | K | 50.8 | Low | 67.8 | Low | 80 Ų | 80 | 73.6 Ų | 73.6 | 35% | 0.348 | 37% | 0.374 | S | S | . | . | trans | -96.8 | 138.8 | 175.2 | -62 | 174.6 | -173.2 | 147.7 | 0 | 110.3 | D705 I710 L906 | D705-K708 HydrophobicContact CB-CD 4.47Å; D705-K708 WeakPolarHBondContact OD2-CD 3.35Å; D705-K708 WeakPolarHBondContact OD2-CE 3.03Å; D705-K708 IonicContact OD2-NZ 3.93Å; D705-K708 PolarHBondContact OD2-NZ 3.21Å; K708-I710 HydrophobicContact CB-CB 4.1Å; K708-I710 HydrophobicContact CB-CG1 4.34Å; K708-I710 PolarHBondContact O-N 3.47Å; K708-L906 HydrophobicContact CD-CD1 4.05Å | ||
| 709 | E | 50.5 | Low | 68.2 | Low | 156 Ų | 156 | 71.3 Ų | 71.3 | 73% | 0.729 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -79.3 | 11.1 | 165.3 | -67.9 | -179.2 | 175.1 | 0 | 0 | 112.4 | K904 | E709-K904 HydrophobicContact CG-CD 4.21Å; E709-K904 IonicContact OE1-NZ 2.71Å; E709-K904 PolarHBondContact OE1-NZ 3.45Å |
| 710 | I | 58.5 | Low | 68 | Low | 38 Ų | 38 | 69.6 Ų | 69.6 | 20% | 0.195 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -95.2 | 115.3 | -176.5 | -56.8 | 179.9 | 0 | 0 | 0 | 108.2 | K708 N712 L906 P922 | K708-I710 HydrophobicContact CB-CB 4.1Å; K708-I710 HydrophobicContact CB-CG1 4.34Å; K708-I710 PolarHBondContact O-N 3.47Å; I710-N712 PolarHBondContact O-N 2.99Å; I710-L906 HydrophobicContact CD1-CB 4.4Å; I710-L906 HydrophobicContact CD1-CD2 3.79Å; I710-L906 HydrophobicContact CD1-CG 4.47Å; I710-P922 VanDerWaalsContact CG2-CD 3.41Å; I710-P922 HydrophobicContact CG2-CG 3.42Å; I710-P922 VanDerWaalsContact CG2-CG 3.42Å |
| 711 | S | 64.3 | Low | 67.6 | Low | 43 Ų | 43 | 73.2 Ų | 73.2 | 30% | 0.301 | 36% | 0.364 | S | S | . | . | trans | -80 | 109.9 | -175.1 | 179.5 | 0 | 0 | 0 | 0 | 112.7 | I713 D714 L715 | S711-I713 PolarHBondContact O-N 3.49Å; S711-I713 PolarHBondContact OG-N 2.78Å; S711-D714 VanDerWaalsContact CB-CG 3.49Å; S711-D714 WeakPolarHBondContact CB-OD1 3.26Å; S711-D714 PolarHBondContact O-N 3.43Å; S711-D714 PolarHBondContact OG-N 2.93Å; S711-D714 PolarHBondContact OG-OD1 3.45Å; S711-L715 PolarHBondContact O-N 2.92Å | ||
| 712 | N | 71.7 | Confident | 66.9 | Low | 35 Ų | 35 | 72 Ų | 72 | 19% | 0.187 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.8 | -19 | 171.2 | -72 | -10 | 0 | 0 | 0 | 113.3 | I702 P703 I710 F716 F799 | I702-N712 HydrophobicContact CG2-CB 4.22Å; P703-N712 PolarHBondContact O-ND2 3.43Å; I710-N712 PolarHBondContact O-N 2.99Å; N712-F716 PolarHBondContact O-N 3.09Å; N712-F799 HydrophobicContact CB-CZ 4.15Å |
| 713 | I | 69.6 | Low | 66.5 | Low | 106 Ų | 106 | 69.9 Ų | 69.9 | 54% | 0.544 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -70.9 | -43.8 | 176.6 | -60.2 | 172.2 | 0 | 0 | 0 | 109.7 | S711 L715 F716 D717 | S711-I713 PolarHBondContact O-N 3.49Å; S711-I713 PolarHBondContact OG-N 2.78Å; I713-L715 PolarHBondContact O-N 2.86Å; I713-F716 PolarHBondContact O-N 3.36Å; I713-F716 VanDerWaalsContact O-N 3.1Å; I713-D717 PolarHBondContact O-N 3.26Å |
| 714 | D | 68.9 | Low | 66.2 | Low | 88 Ų | 88 | 72 Ų | 72 | 47% | 0.471 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.4 | -35.1 | -180 | -60.3 | 30.2 | 0 | 0 | 0 | 110.5 | S711 N718 | S711-D714 VanDerWaalsContact CB-CG 3.49Å; S711-D714 WeakPolarHBondContact CB-OD1 3.26Å; S711-D714 PolarHBondContact O-N 3.43Å; S711-D714 PolarHBondContact OG-N 2.93Å; S711-D714 PolarHBondContact OG-OD1 3.45Å; D714-N718 PolarHBondContact O-N 2.63Å; D714-N718 PolarHBondContact O-ND2 2.73Å |
| 715 | L | 78.3 | Confident | 66.2 | Low | 4 Ų | 4 | 64.9 Ų | 64.9 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 172.2 | 178.7 | 57 | 0 | 0 | 0 | 112 | S711 I713 N718 L719 F799 L844 L920 | S711-L715 PolarHBondContact O-N 2.92Å; I713-L715 PolarHBondContact O-N 2.86Å; L715-N718 PolarHBondContact O-N 3.49Å; L715-L719 WeakPolarHBondContact O-CG 3.39Å; L715-L719 PolarHBondContact O-N 2.95Å; L715-F799 HydrophobicContact CD2-CE2 3.89Å; L715-F799 HydrophobicContact CD2-CZ 3.76Å; L715-F799 HydrophobicContact CG-CZ 4.26Å; L715-L844 HydrophobicContact CD1-CB 4.07Å; L715-L844 HydrophobicContact CD1-CD1 3.66Å; L715-L844 HydrophobicContact CD1-CG 4.49Å; L715-L920 HydrophobicContact CD2-CB 3.8Å; L715-L920 HydrophobicContact CD2-CD1 4.3Å |
| 716 | F | 80.1 | Confident | 66.2 | Low | 32 Ų | 32 | 63.9 Ų | 63.9 | 14% | 0.14 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 176 | 168 | -101.8 | 0 | 0 | 0 | 112.6 | A699 I702 N712 I713 N718 L719 A720 F799 L801 | A699-F716 HydrophobicContact CB-CD2 4.21Å; A699-F716 HydrophobicContact CB-CE2 3.73Å; A699-F716 HydrophobicContact CB-CZ 3.96Å; I702-F716 HydrophobicContact CD1-CB 4.02Å; I702-F716 HydrophobicContact CD1-CD1 4.13Å; I702-F716 HydrophobicContact CD1-CD2 4.44Å; I702-F716 HydrophobicContact CD1-CG 3.9Å; N712-F716 PolarHBondContact O-N 3.09Å; I713-F716 PolarHBondContact O-N 3.36Å; I713-F716 VanDerWaalsContact O-N 3.1Å; F716-N718 VanDerWaalsContact C-N 3.28Å; F716-N718 PolarHBondContact O-N 3.37Å; F716-L719 PolarHBondContact O-N 2.88Å; F716-L719 VanDerWaalsContact O-N 3.14Å; F716-A720 HydrophobicContact CE2-CB 4.47Å; F716-A720 HydrophobicContact CZ-CB 4.21Å; F716-A720 PolarHBondContact O-N 2.83Å; F716-F799 HydrophobicContact CB-CE1 4.43Å; F716-L801 HydrophobicContact CD2-CD2 3.93Å; F716-L801 HydrophobicContact CE2-CD2 3.72Å |
| 717 | D | 73.6 | Confident | 66.8 | Low | 84 Ų | 84 | 57.7 Ų | 57.7 | 45% | 0.449 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.4 | -40.1 | -179.5 | -84.2 | -3.1 | 0 | 0 | 0 | 111.2 | I713 A720 I721 | I713-D717 PolarHBondContact O-N 3.26Å; D717-A720 PolarHBondContact O-N 3.5Å; D717-I721 WeakPolarHBondContact O-CB 3.17Å; D717-I721 WeakPolarHBondContact O-CD1 3.25Å; D717-I721 WeakPolarHBondContact O-CG1 3.47Å; D717-I721 PolarHBondContact O-N 2.8Å |
| 718 | N | 73 | Confident | 67.1 | Low | 40 Ų | 40 | 60.2 Ų | 60.2 | 21% | 0.214 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 175.1 | -80.8 | -74.8 | 0 | 0 | 0 | 112.9 | D714 L715 F716 I721 G722 L844 | D714-N718 PolarHBondContact O-N 2.63Å; D714-N718 PolarHBondContact O-ND2 2.73Å; L715-N718 PolarHBondContact O-N 3.49Å; F716-N718 VanDerWaalsContact C-N 3.28Å; F716-N718 PolarHBondContact O-N 3.37Å; N718-I721 PolarHBondContact O-N 3.21Å; N718-G722 PolarHBondContact O-N 3.25Å; N718-L844 HydrophobicContact CB-CD1 3.85Å |
| 719 | L | 81 | Confident | 67 | Low | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 176 | -67.3 | 178.6 | 0 | 0 | 0 | 112.1 | L715 F716 G722 F723 L837 V841 | L715-L719 WeakPolarHBondContact O-CG 3.39Å; L715-L719 PolarHBondContact O-N 2.95Å; F716-L719 PolarHBondContact O-N 2.88Å; F716-L719 VanDerWaalsContact O-N 3.14Å; L719-G722 PolarHBondContact O-N 3.26Å; L719-F723 PolarHBondContact O-N 3.43Å; L719-L837 HydrophobicContact CB-CD1 4.12Å; L719-L837 HydrophobicContact CD2-CD1 4.39Å; L719-V841 HydrophobicContact CD2-CB 4.42Å; L719-V841 HydrophobicContact CD2-CG2 3.6Å |
| 720 | A | 74.8 | Confident | 66.6 | Low | 7 Ų | 7 | 54.3 Ų | 54.3 | 6% | 0.058 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.9 | -46.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | F716 D717 G722 F723 I724 | F716-A720 HydrophobicContact CE2-CB 4.47Å; F716-A720 HydrophobicContact CZ-CB 4.21Å; F716-A720 PolarHBondContact O-N 2.83Å; D717-A720 PolarHBondContact O-N 3.5Å; A720-G722 VanDerWaalsContact C-N 3.26Å; A720-G722 PolarHBondContact O-N 2.86Å; A720-F723 PolarHBondContact O-N 2.9Å; A720-I724 HydrophobicContact CB-CD1 4.48Å; A720-I724 WeakPolarHBondContact O-CD1 3.12Å; A720-I724 WeakPolarHBondContact O-CG1 3.25Å; A720-I724 PolarHBondContact O-N 3.47Å; A720-I724 VanDerWaalsContact O-N 3.14Å |
| 721 | I | 69.8 | Low | 65.6 | Low | 110 Ų | 110 | 58.7 Ų | 58.7 | 56% | 0.564 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -56.9 | -41.3 | 175.4 | -71.4 | 164.8 | 0 | 0 | 0 | 111 | D717 N718 F723 I724 S725 | D717-I721 WeakPolarHBondContact O-CB 3.17Å; D717-I721 WeakPolarHBondContact O-CD1 3.25Å; D717-I721 WeakPolarHBondContact O-CG1 3.47Å; D717-I721 PolarHBondContact O-N 2.8Å; N718-I721 PolarHBondContact O-N 3.21Å; I721-F723 PolarHBondContact O-N 3.02Å; I721-I724 PolarHBondContact O-N 2.99Å; I721-S725 PolarHBondContact O-N 3.33Å; I721-S725 VanDerWaalsContact O-N 3.11Å |
| 722 | G | 68.6 | Low | 64.5 | Low | 9 Ų | 9 | 65.1 Ų | 65.1 | 9% | 0.093 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -51.8 | -56.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | N718 L719 A720 I724 S725 K836 | N718-G722 PolarHBondContact O-N 3.25Å; L719-G722 PolarHBondContact O-N 3.26Å; A720-G722 VanDerWaalsContact C-N 3.26Å; A720-G722 PolarHBondContact O-N 2.86Å; G722-I724 PolarHBondContact O-N 3.25Å; G722-S725 PolarHBondContact O-N 3.41Å; G722-S725 PolarHBondContact O-OG 3.08Å; G722-K836 WeakPolarHBondContact O-CB 3.37Å |
| 723 | F | 72.7 | Confident | 63.1 | Low | 6 Ų | 6 | 71 Ų | 71 | 3% | 0.026 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.8 | -43 | -180 | -172.1 | -90.3 | 0 | 0 | 0 | 113.1 | P696 L697 L719 A720 I721 S725 V727 L803 G833 L837 | P696-F723 HydrophobicContact CB-CE1 4.09Å; P696-F723 HydrophobicContact CG-CD1 4.16Å; P696-F723 HydrophobicContact CG-CE1 3.74Å; L697-F723 HydrophobicContact CB-CD1 4.09Å; L697-F723 HydrophobicContact CB-CG 4.38Å; L697-F723 HydrophobicContact CD2-CB 4Å; L697-F723 HydrophobicContact CD2-CG 4.35Å; L719-F723 PolarHBondContact O-N 3.43Å; A720-F723 PolarHBondContact O-N 2.9Å; I721-F723 PolarHBondContact O-N 3.02Å; F723-S725 VanDerWaalsContact C-N 3.31Å; F723-S725 PolarHBondContact O-N 3.38Å; F723-V727 HydrophobicContact CD1-CG2 4.29Å; F723-V727 HydrophobicContact CE1-CG2 3.94Å; F723-V727 HydrophobicContact CZ-CG2 4.4Å; F723-V727 WeakPolarHBondContact O-CG2 3.49Å; F723-L803 HydrophobicContact CD2-CD1 4.46Å; F723-L803 HydrophobicContact CE2-CD1 3.57Å; F723-L803 HydrophobicContact CE2-CG 4.15Å; F723-L803 HydrophobicContact CZ-CD1 3.87Å; F723-L803 HydrophobicContact CZ-CD2 4.32Å; F723-L803 HydrophobicContact CZ-CG 3.94Å; F723-G833 WeakPolarHBondContact CD2-O 3.44Å; F723-L837 HydrophobicContact CB-CB 4.42Å; F723-L837 HydrophobicContact CD2-CB 4.09Å; F723-L837 HydrophobicContact CD2-CD2 4.4Å |
| 724 | I | 66.3 | Low | 61.8 | Low | 64 Ų | 64 | 69.2 Ų | 69.2 | 33% | 0.328 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -69.5 | -30.2 | -173.9 | -60.4 | 155.3 | 0 | 0 | 0 | 112 | L695 A720 I721 G722 T726 V727 | L695-I724 HydrophobicContact CD1-CD1 3.75Å; L695-I724 HydrophobicContact CD2-CD1 3.64Å; L695-I724 HydrophobicContact CD2-CG1 4.1Å; L695-I724 HydrophobicContact CG-CD1 4.2Å; A720-I724 HydrophobicContact CB-CD1 4.48Å; A720-I724 WeakPolarHBondContact O-CD1 3.12Å; A720-I724 WeakPolarHBondContact O-CG1 3.25Å; A720-I724 PolarHBondContact O-N 3.47Å; A720-I724 VanDerWaalsContact O-N 3.14Å; I721-I724 PolarHBondContact O-N 2.99Å; G722-I724 PolarHBondContact O-N 3.25Å; I724-T726 PolarHBondContact O-N 2.03Å; I724-V727 PolarHBondContact O-N 3.27Å |
| 725 | S | 64.1 | Low | 60.9 | Low | 80 Ų | 80 | 67.9 Ų | 67.9 | 56% | 0.559 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -24.3 | -170.6 | 68.1 | 0 | 0 | 0 | 0 | 115.7 | I721 G722 F723 | I721-S725 PolarHBondContact O-N 3.33Å; I721-S725 VanDerWaalsContact O-N 3.11Å; G722-S725 PolarHBondContact O-N 3.41Å; G722-S725 PolarHBondContact O-OG 3.08Å; F723-S725 VanDerWaalsContact C-N 3.31Å; F723-S725 PolarHBondContact O-N 3.38Å |
| 726 | T | 59.1 | Low | 59.3 | Low | 44 Ų | 44 | 74.9 Ų | 74.9 | 27% | 0.27 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | -15.9 | -173.4 | 49.5 | 0 | 0 | 0 | 0 | 115.1 | I724 K728 I832 K836 | I724-T726 PolarHBondContact O-N 2.03Å; T726-K728 PolarHBondContact O-N 2.97Å; T726-I832 VanDerWaalsContact CB-CG2 3.46Å; T726-I832 HydrophobicContact CG2-CG2 4.28Å; T726-I832 WeakPolarHBondContact OG1-CG2 3.15Å; T726-K836 HydrophobicContact CG2-CD 4.35Å; T726-K836 HydrophobicContact CG2-CG 3.71Å |
| 727 | V | 59.7 | Low | 58 | Low | 39 Ų | 39 | 74.3 Ų | 74.3 | 24% | 0.236 | 39% | 0.391 | C | S | . | . | trans | -75 | 89.8 | -174.1 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | F723 I724 C729 | F723-V727 HydrophobicContact CD1-CG2 4.29Å; F723-V727 HydrophobicContact CE1-CG2 3.94Å; F723-V727 HydrophobicContact CZ-CG2 4.4Å; F723-V727 WeakPolarHBondContact O-CG2 3.49Å; I724-V727 PolarHBondContact O-N 3.27Å; V727-C729 PolarHBondContact O-N 3.02Å | ||
| 728 | K | 52.8 | Low | 56.9 | Low | 195 Ų | 195 | 73.8 Ų | 73.8 | 85% | 0.848 | 39% | 0.391 | S | S | * | . | trans | -66.9 | 101.6 | 173.8 | -72.9 | 177.4 | -178.4 | 168.4 | 0 | 110.3 | T726 S730 | T726-K728 PolarHBondContact O-N 2.97Å; K728-S730 VanDerWaalsContact C-N 3.27Å; K728-S730 PolarHBondContact O-N 3.33Å | ||
| 729 | C | 50 | Low | 55.7 | Low | 41 Ų | 41 | 77.2 Ų | 77.2 | 28% | 0.277 | 41% | 0.406 | S | S | . | . | trans | -56.6 | 81.1 | 167.5 | -65.1 | 0 | 0 | 0 | 0 | 112.1 | C678 V727 T731 | C678-C729 HydrophobicContact CB-CB 3.53Å; C678-C729 WeakPolarHBondContact CB-SG 3.42Å; C678-C729 WeakPolarHBondContact O-CB 3.31Å; C678-C729 WeakPolarHBondContact SG-CA 3.41Å; C678-C729 WeakPolarHBondContact SG-CB 3.38Å; C678-C729 CovalentContact SG-SG 2.03Å; C678-C729 PolarHBondContact SG-SG 2.66Å; V727-C729 PolarHBondContact O-N 3.02Å; C729-T731 PolarHBondContact O-N 3.16Å; C729-T731 VanDerWaalsContact O-N 3.16Å | ||
| 730 | S | 41.1 | Very low | 54.1 | Low | 71 Ų | 71 | 79.6 Ų | 79.6 | 50% | 0.497 | 42% | 0.42 | S | S | . | . | trans | -73 | 107.8 | -174.6 | -173.1 | 0 | 0 | 0 | 0 | 111.6 | K728 K732 Y733 | K728-S730 VanDerWaalsContact C-N 3.27Å; K728-S730 PolarHBondContact O-N 3.33Å; S730-K732 PolarHBondContact O-N 3.29Å; S730-K732 VanDerWaalsContact O-N 3.15Å; S730-Y733 PolarHBondContact O-N 3.12Å | ||
| 731 | T | 38.5 | Very low | 52.7 | Low | 130 Ų | 130 | 84.6 Ų | 84.6 | 80% | 0.798 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -65.9 | -13.6 | 179.8 | 52.3 | 0 | 0 | 0 | 0 | 114.1 | C729 Y733 | C729-T731 PolarHBondContact O-N 3.16Å; C729-T731 VanDerWaalsContact O-N 3.16Å; T731-Y733 VanDerWaalsContact C-N 3.35Å |
| 732 | K | 41.1 | Very low | 51.6 | Low | 179 Ų | 179 | 88 Ų | 88 | 78% | 0.778 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -70.8 | -27.8 | 175.2 | -94.6 | -170.4 | 171.8 | -173.8 | 0 | 113.7 | S730 | S730-K732 PolarHBondContact O-N 3.29Å; S730-K732 VanDerWaalsContact O-N 3.15Å |
| 733 | Y | 42.7 | Very low | 50.5 | Low | 159 Ų | 159 | 91.2 Ų | 91.2 | 62% | 0.624 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -127.1 | 47.8 | -178.6 | -57.3 | -61.8 | 0 | 0 | 0 | 110.1 | S730 T731 F735 | S730-Y733 PolarHBondContact O-N 3.12Å; T731-Y733 VanDerWaalsContact C-N 3.35Å; Y733-F735 PolarHBondContact O-N 2.92Å |
| 734 | S | 40.9 | Very low | 49.1 | Very low | 67 Ų | 67 | 93.5 Ų | 93.5 | 47% | 0.469 | 50% | 0.495 | S | S | . | . | trans | -66.6 | 98.8 | 174.1 | 58.5 | 0 | 0 | 0 | 0 | 109.8 | H736 | S734-H736 PolarHBondContact O-N 3.06Š| ||
| 735 | F | 49.8 | Very low | 48.3 | Very low | 60 Ų | 60 | 97.3 Ų | 97.3 | 26% | 0.263 | 52% | 0.516 | S | S | . | . | trans | -56.4 | 109.5 | 172.4 | -55.8 | -81.9 | 0 | 0 | 0 | 109.1 | Y733 C737 C807 L818 L826 | Y733-F735 PolarHBondContact O-N 2.92Å; F735-C737 PolarHBondContact O-N 2.95Å; F735-C807 WeakPolarHBondContact CB-SG 3.14Å; F735-L818 HydrophobicContact CD1-CD1 4.17Å; F735-L818 HydrophobicContact CE1-CD1 4.03Å; F735-L826 HydrophobicContact CE2-CD1 4.1Å; F735-L826 HydrophobicContact CZ-CD1 3.94Å | ||
| 736 | H | 45.7 | Very low | 47.8 | Very low | 151 Ų | 151 | 97 Ų | 97 | 70% | 0.699 | 51% | 0.513 | S | S | * | . | trans | -78.2 | 67.7 | 179.5 | -83.9 | -64.9 | 0 | 0 | 0 | 110.5 | S734 T738 | S734-H736 PolarHBondContact O-N 3.06Å; H736-T738 PolarHBondContact O-N 2.95Å | ||
| 737 | C | 52.2 | Low | 48 | Very low | 21 Ų | 21 | 99.3 Ų | 99.3 | 14% | 0.142 | 52% | 0.523 | C | S | . | . | trans | -61.3 | 125 | 164.1 | -34.3 | 0 | 0 | 0 | 0 | 107.9 | N674 F735 C807 | N674-C737 WeakPolarHBondContact O-CB 3.34Å; F735-C737 PolarHBondContact O-N 2.95Å; C737-C807 VanDerWaalsContact CA-SG 3.53Å; C737-C807 HydrophobicContact CB-CB 4.02Å; C737-C807 WeakPolarHBondContact CB-SG 3.28Å; C737-C807 PolarHBondContact N-SG 3.28Å; C737-C807 VanDerWaalsContact N-SG 3.42Å; C737-C807 WeakPolarHBondContact SG-CB 3.39Å; C737-C807 CovalentContact SG-SG 2.04Å; C737-C807 PolarHBondContact SG-SG 2.81Å | ||
| 738 | T | 50.6 | Low | 48.3 | Very low | 72 Ų | 72 | 99.4 Ų | 99.4 | 44% | 0.442 | 53% | 0.526 | S | S | . | . | trans | -74.9 | 124.9 | 174.6 | 54.5 | 0 | 0 | 0 | 0 | 111 | H736 T740 Y811 | H736-T738 PolarHBondContact O-N 2.95Å; T738-T740 PolarHBondContact O-N 2.91Å; T738-Y811 PolarHBondContact N-O 2.85Å; T738-Y811 WeakPolarHBondContact O-CD1 3.49Å; T738-Y811 WeakPolarHBondContact OG1-CA 3.47Å; T738-Y811 PolarHBondContact OG1-O 3.28Å | ||
| 739 | E | 48.9 | Very low | 49 | Very low | 113 Ų | 113 | 92.9 Ų | 92.9 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | trans | -72 | 111.6 | -179.8 | -71.7 | 170 | 141.7 | 0 | 0 | 112.5 | K677 | K677-E739 WeakPolarHBondContact CD-OE1 3.29Å; K677-E739 WeakPolarHBondContact CE-OE1 3.48Å; K677-E739 IonicContact NZ-OE1 2.97Å; K677-E739 PolarHBondContact NZ-OE1 3.42Å; K677-E739 IonicContact NZ-OE2 3.7Å; K677-E739 PolarHBondContact NZ-OE2 3Å | ||
| 740 | T | 47.4 | Very low | 50.1 | Low | 54 Ų | 54 | 91.3 Ų | 91.3 | 33% | 0.331 | 49% | 0.494 | S | S | . | . | trans | -85.2 | 123.8 | 151.2 | 56.3 | 0 | 0 | 0 | 0 | 108.6 | N674 T738 Q742 D743 Y811 | N674-T740 PolarHBondContact ND2-OG1 3.08Å; T738-T740 PolarHBondContact O-N 2.91Å; T740-Q742 PolarHBondContact O-N 3.18Å; T740-D743 PolarHBondContact OG1-OD2 3.38Å; T740-Y811 HydrophobicContact CG2-CD1 4.49Å; T740-Y811 HydrophobicContact CG2-CE1 3.82Å | ||
| 741 | S | 44.9 | Very low | 51.7 | Low | 112 Ų | 112 | 88 Ų | 88 | 78% | 0.783 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -87.1 | -1.3 | -166.1 | 54 | 0 | 0 | 0 | 0 | 115.2 | ||
| 742 | Q | 46 | Very low | 53.6 | Low | 182 Ų | 182 | 87.7 Ų | 87.7 | 85% | 0.85 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -101.3 | -24.1 | -169.4 | -62.3 | -171.7 | -73.3 | 0 | 0 | 114.1 | T740 | T740-Q742 PolarHBondContact O-N 3.18Š|
| 743 | D | 46.1 | Very low | 55.4 | Low | 75 Ų | 75 | 81.9 Ų | 81.9 | 40% | 0.401 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -95.8 | -10.1 | -167.5 | -40.6 | -61.5 | 0 | 0 | 0 | 114 | T740 N745 S746 | T740-D743 PolarHBondContact OG1-OD2 3.38Å; D743-N745 PolarHBondContact O-N 3.19Å; D743-S746 WeakPolarHBondContact O-CB 3.49Å; D743-S746 PolarHBondContact O-N 3.26Å; D743-S746 PolarHBondContact O-OG 3.28Å |
| 744 | M | 42.6 | Very low | 57.3 | Low | 55 Ų | 55 | 74.4 Ų | 74.4 | 27% | 0.271 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -22.3 | -166.6 | -79.5 | -75.3 | -141.9 | 0 | 0 | 116.8 | ||
| 745 | N | 49.5 | Very low | 59.2 | Low | 144 Ų | 144 | 73 Ų | 73 | 77% | 0.77 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.9 | 7 | 178.7 | -76.9 | 9.4 | 0 | 0 | 0 | 113 | D743 I747 | D743-N745 PolarHBondContact O-N 3.19Å; N745-I747 PolarHBondContact O-N 3.08Å |
| 746 | S | 54.3 | Low | 60.6 | Low | 72 Ų | 72 | 73.8 Ų | 73.8 | 50% | 0.503 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 123.5 | 172.6 | 62.9 | 0 | 0 | 0 | 0 | 109.8 | D743 | D743-S746 WeakPolarHBondContact O-CB 3.49Å; D743-S746 PolarHBondContact O-N 3.26Å; D743-S746 PolarHBondContact O-OG 3.28Å |
| 747 | I | 63.3 | Low | 62.3 | Low | 93 Ų | 93 | 67.2 Ų | 67.2 | 48% | 0.477 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 126.6 | 161.3 | -60.5 | 176 | 0 | 0 | 0 | 105.5 | N745 E751 K752 | N745-I747 PolarHBondContact O-N 3.08Å; I747-E751 HydrophobicContact CG2-CB 3.58Å; I747-K752 HydrophobicContact CG2-CB 4.05Å |
| 748 | S | 65.7 | Low | 63.5 | Low | 42 Ų | 42 | 67.8 Ų | 67.8 | 29% | 0.294 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 161.5 | -178.7 | 64.1 | 0 | 0 | 0 | 0 | 112.1 | S750 E751 K752 | S748-S750 PolarHBondContact O-N 3.36Å; S748-E751 VanDerWaalsContact CB-OE2 3.3Å; S748-E751 WeakPolarHBondContact CB-OE2 3.36Å; S748-E751 PolarHBondContact N-OE2 3.07Å; S748-E751 PolarHBondContact O-N 2.93Å; S748-E751 WeakPolarHBondContact OG-CB 3.38Å; S748-E751 WeakPolarHBondContact OG-CG 3.28Å; S748-E751 PolarHBondContact OG-N 3.27Å; S748-E751 PolarHBondContact OG-OE2 3.19Å; S748-K752 PolarHBondContact O-N 3.42Å |
| 749 | S | 68.5 | Low | 64.5 | Low | 57 Ų | 57 | 66.7 Ų | 66.7 | 40% | 0.399 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -48.1 | -42.1 | 173.5 | 57.5 | 0 | 0 | 0 | 0 | 112.5 | D644 R753 | D644-S749 WeakPolarHBondContact OD2-CB 3.42Å; D644-S749 PolarHBondContact OD2-OG 2.79Å; S749-R753 WeakPolarHBondContact O-CG 3.37Å |
| 750 | S | 72.3 | Confident | 65 | Low | 8 Ų | 8 | 63.5 Ų | 63.5 | 6% | 0.056 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -76.7 | -45 | -178.6 | -64.6 | 0 | 0 | 0 | 0 | 112.6 | S748 K752 R753 L754 | S748-S750 PolarHBondContact O-N 3.36Å; S750-K752 VanDerWaalsContact C-N 3.33Å; S750-K752 PolarHBondContact O-N 3.2Å; S750-R753 PolarHBondContact O-N 3.32Å; S750-L754 PolarHBondContact O-N 3.39Å |
| 751 | E | 75.2 | Confident | 65.2 | Low | 3 Ų | 3 | 66.9 Ų | 66.9 | 1% | 0.014 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.1 | -34.9 | 178.1 | -72.6 | 168.6 | 102 | 0 | 0 | 112.9 | I700 I747 S748 R753 L754 L755 R802 | I700-E751 HydrophobicContact CD1-CG 4.11Å; I700-E751 VanDerWaalsContact CD1-OE1 3.29Å; I700-E751 WeakPolarHBondContact CD1-OE1 3.21Å; I747-E751 HydrophobicContact CG2-CB 3.58Å; S748-E751 VanDerWaalsContact CB-OE2 3.3Å; S748-E751 WeakPolarHBondContact CB-OE2 3.36Å; S748-E751 PolarHBondContact N-OE2 3.07Å; S748-E751 PolarHBondContact O-N 2.93Å; S748-E751 WeakPolarHBondContact OG-CB 3.38Å; S748-E751 WeakPolarHBondContact OG-CG 3.28Å; S748-E751 PolarHBondContact OG-N 3.27Å; S748-E751 PolarHBondContact OG-OE2 3.19Å; E751-R753 VanDerWaalsContact C-N 3.32Å; E751-R753 PolarHBondContact O-N 3.02Å; E751-L754 WeakPolarHBondContact O-CB 3.16Å; E751-L754 PolarHBondContact O-N 3.17Å; E751-L755 PolarHBondContact O-N 3.48Å; E751-R802 IonicContact OE1-CZ 3.43Å; E751-R802 IonicContact OE1-NE 3.62Å; E751-R802 PolarHBondContact OE1-NE 2.75Å; E751-R802 IonicContact OE1-NH2 2.75Å; E751-R802 PolarHBondContact OE1-NH2 2.82Å; E751-R802 IonicContact OE2-CZ 3.62Å; E751-R802 IonicContact OE2-NE 3.27Å; E751-R802 IonicContact OE2-NH2 2.79Å; E751-R802 PolarHBondContact OE2-NH2 3.43Å |
| 752 | K | 78 | Confident | 64.9 | Low | 122 Ų | 122 | 69.6 Ų | 69.6 | 53% | 0.53 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 176.2 | -170.8 | -172.4 | 170.7 | -170 | 0 | 110.6 | I747 S748 S750 L754 L755 D756 | I747-K752 HydrophobicContact CG2-CB 4.05Å; S748-K752 PolarHBondContact O-N 3.42Å; S750-K752 VanDerWaalsContact C-N 3.33Å; S750-K752 PolarHBondContact O-N 3.2Å; K752-L754 VanDerWaalsContact C-N 3.3Å; K752-L754 PolarHBondContact O-N 3.29Å; K752-L755 WeakPolarHBondContact O-CB 3.41Å; K752-L755 PolarHBondContact O-N 2.92Å; K752-L755 VanDerWaalsContact O-N 3.14Å; K752-D756 VanDerWaalsContact O-CG 3.25Å; K752-D756 PolarHBondContact O-N 3.41Å |
| 753 | R | 78.8 | Confident | 64.4 | Low | 57 Ų | 57 | 67.4 Ų | 67.4 | 22% | 0.215 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.7 | -33.4 | 176.5 | -65.4 | 172.2 | 73.9 | -162.7 | 5.5 | 112 | N647 F650 D651 S749 S750 E751 L757 | N647-R753 PolarHBondContact O-NH1 3.25Å; F650-R753 HydrophobicContact CB-CB 4.41Å; F650-R753 HydrophobicContact CG-CB 4.36Å; D651-R753 IonicContact OD1-CZ 2.68Å; D651-R753 IonicContact OD1-NH2 3.88Å; D651-R753 PolarHBondContact OD1-NH2 3.32Å; D651-R753 IonicContact OD2-CZ 3.49Å; D651-R753 IonicContact OD2-NH2 2.65Å; D651-R753 PolarHBondContact OD2-NH2 3.08Å; S749-R753 WeakPolarHBondContact O-CG 3.37Å; S750-R753 PolarHBondContact O-N 3.32Å; E751-R753 VanDerWaalsContact C-N 3.32Å; E751-R753 PolarHBondContact O-N 3.02Å; R753-L757 WeakPolarHBondContact O-CB 3.09Å; R753-L757 PolarHBondContact O-N 2.85Å |
| 754 | L | 81.7 | Confident | 63.7 | Low | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.016 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 170.5 | -172.8 | 70.7 | 0 | 0 | 0 | 111.8 | L562 F650 I667 T669 S750 E751 K752 L757 F758 I800 | L562-L754 HydrophobicContact CD1-CD1 3.58Å; L562-L754 HydrophobicContact CD1-CD2 3.93Å; L562-L754 HydrophobicContact CD1-CG 4.44Å; F650-L754 HydrophobicContact CE1-CB 4.43Å; F650-L754 HydrophobicContact CE1-CD1 4.39Å; I667-L754 HydrophobicContact CG2-CD2 4.5Å; T669-L754 HydrophobicContact CG2-CD2 3.78Å; S750-L754 PolarHBondContact O-N 3.39Å; E751-L754 WeakPolarHBondContact O-CB 3.16Å; E751-L754 PolarHBondContact O-N 3.17Å; K752-L754 VanDerWaalsContact C-N 3.3Å; K752-L754 PolarHBondContact O-N 3.29Å; L754-L757 WeakPolarHBondContact O-CB 3.12Å; L754-L757 PolarHBondContact O-N 2.94Å; L754-F758 HydrophobicContact CD1-CD2 4.41Å; L754-F758 HydrophobicContact CD1-CE2 3.82Å; L754-F758 HydrophobicContact CG-CE2 4.49Å; L754-F758 VanDerWaalsContact O-CD2 3.3Å; L754-F758 WeakPolarHBondContact O-CD2 3.42Å; L754-I800 HydrophobicContact CD2-CG2 4.24Å |
| 755 | L | 80.8 | Confident | 63.1 | Low | 36 Ų | 36 | 71.3 Ų | 71.3 | 19% | 0.188 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65.8 | -46.7 | 176.1 | -174.4 | 67 | 0 | 0 | 0 | 111.8 | H701 E751 K752 L757 F758 T759 I800 | H701-L755 HydrophobicContact CB-CD1 3.77Å; E751-L755 PolarHBondContact O-N 3.48Å; K752-L755 WeakPolarHBondContact O-CB 3.41Å; K752-L755 PolarHBondContact O-N 2.92Å; K752-L755 VanDerWaalsContact O-N 3.14Å; L755-L757 PolarHBondContact O-N 3.41Å; L755-F758 PolarHBondContact O-N 2.93Å; L755-T759 HydrophobicContact CD1-CG2 3.72Å; L755-T759 HydrophobicContact CG-CG2 4.24Å; L755-T759 WeakPolarHBondContact O-CB 3.23Å; L755-T759 PolarHBondContact O-N 3.18Å; L755-T759 VanDerWaalsContact O-N 3.08Å; L755-T759 PolarHBondContact O-OG1 3.14Å; L755-I800 HydrophobicContact CD1-CD1 4.33Å |
| 756 | D | 80.6 | Confident | 62.1 | Low | 78 Ų | 78 | 70.9 Ų | 70.9 | 42% | 0.417 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.8 | -31.8 | 178.3 | -67 | -29.7 | 0 | 0 | 0 | 111.5 | K752 S760 | K752-D756 VanDerWaalsContact O-CG 3.25Å; K752-D756 PolarHBondContact O-N 3.41Å; D756-S760 VanDerWaalsContact O-CB 3.28Å; D756-S760 WeakPolarHBondContact O-CB 3.32Å; D756-S760 PolarHBondContact O-OG 3.36Å |
| 757 | L | 80.1 | Confident | 61 | Low | 12 Ų | 12 | 72.3 Ų | 72.3 | 6% | 0.063 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -64.5 | -38.6 | 178.8 | -179.3 | 65.3 | 0 | 0 | 0 | 113.9 | F655 Q656 R660 R753 L754 L755 | F655-L757 HydrophobicContact CE1-CD2 4.02Å; Q656-L757 HydrophobicContact CB-CD1 3.89Å; Q656-L757 HydrophobicContact CG-CD1 3.53Å; R660-L757 PolarHBondContact NE-O 3.41Å; R660-L757 PolarHBondContact NH2-O 2.92Å; R753-L757 WeakPolarHBondContact O-CB 3.09Å; R753-L757 PolarHBondContact O-N 2.85Å; L754-L757 WeakPolarHBondContact O-CB 3.12Å; L754-L757 PolarHBondContact O-N 2.94Å; L755-L757 PolarHBondContact O-N 3.41Å |
| 758 | F | 78.9 | Confident | 59.4 | Low | 34 Ų | 34 | 75.7 Ų | 75.7 | 15% | 0.149 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -103.1 | -17.9 | -173.3 | -68 | -74.4 | 0 | 0 | 0 | 114.8 | P664 I667 L754 L755 P798 I800 | P664-F758 HydrophobicContact CG-CE1 4.03Å; I667-F758 HydrophobicContact CD1-CD1 4.29Å; I667-F758 HydrophobicContact CD1-CD2 3.65Å; I667-F758 HydrophobicContact CD1-CE1 3.97Å; I667-F758 HydrophobicContact CD1-CE2 3.28Å; I667-F758 HydrophobicContact CD1-CG 4.15Å; I667-F758 HydrophobicContact CD1-CZ 3.45Å; I667-F758 VanDerWaalsContact CD1-CZ 3.45Å; L754-F758 HydrophobicContact CD1-CD2 4.41Å; L754-F758 HydrophobicContact CD1-CE2 3.82Å; L754-F758 HydrophobicContact CG-CE2 4.49Å; L754-F758 VanDerWaalsContact O-CD2 3.3Å; L754-F758 WeakPolarHBondContact O-CD2 3.42Å; L755-F758 PolarHBondContact O-N 2.93Å; F758-P798 HydrophobicContact CB-CG 4.11Å; F758-P798 HydrophobicContact CD1-CG 4.24Å; F758-P798 HydrophobicContact CG-CG 4.19Å; F758-I800 HydrophobicContact CD2-CD1 4.4Å |
| 759 | T | 70.2 | Confident | 57.6 | Low | 48 Ų | 48 | 79.6 Ų | 79.6 | 29% | 0.294 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -101.9 | -5 | -177 | 58.9 | 0 | 0 | 0 | 0 | 114.5 | L755 P761 | L755-T759 HydrophobicContact CD1-CG2 3.72Å; L755-T759 HydrophobicContact CG-CG2 4.24Å; L755-T759 WeakPolarHBondContact O-CB 3.23Å; L755-T759 PolarHBondContact O-N 3.18Å; L755-T759 VanDerWaalsContact O-N 3.08Å; L755-T759 PolarHBondContact O-OG1 3.14Å; T759-P761 WeakPolarHBondContact O-CD 3.2Å |
| 760 | S | 61.3 | Low | 55.7 | Low | 47 Ų | 47 | 81.7 Ų | 81.7 | 33% | 0.329 | 49% | 0.487 | S | S | . | . | trans | -94 | 118.1 | -173.4 | 57.3 | 0 | 0 | 0 | 0 | 113.9 | D756 F762 | D756-S760 VanDerWaalsContact O-CB 3.28Å; D756-S760 WeakPolarHBondContact O-CB 3.32Å; D756-S760 PolarHBondContact O-OG 3.36Å; S760-F762 PolarHBondContact O-N 3.45Å; S760-F762 VanDerWaalsContact O-N 3.12Å | ||
| 761 | P | 50.3 | Low | 53.7 | Low | 124 Ų | 124 | 86.6 Ų | 86.6 | 81% | 0.805 | 52% | 0.522 | S | S | * | . | trans | -87.5 | 71.2 | -179.7 | 35.1 | -35.6 | 0 | 0 | 0 | 111.9 | T759 | T759-P761 WeakPolarHBondContact O-CD 3.2Š| ||
| 762 | F | 38.5 | Very low | 51.2 | Low | 169 Ų | 169 | 96.9 Ų | 96.9 | 74% | 0.741 | 56% | 0.562 | S | S | * | * | trans | -96.3 | 105.3 | -173.4 | -107 | -85 | 0 | 0 | 0 | 115.5 | S760 | S760-F762 PolarHBondContact O-N 3.45Å; S760-F762 VanDerWaalsContact O-N 3.12Å | ||
| 763 | L | 35 | Very low | 49 | Very low | 137 Ų | 137 | 96.9 Ų | 96.9 | 72% | 0.717 | 57% | 0.572 | S | S | * | * | trans | 43.3 | 79.1 | 146.5 | -61.6 | 178.4 | 0 | 0 | 0 | 119.1 | S765 | L763-S765 VanDerWaalsContact C-N 3.27Å; L763-S765 PolarHBondContact O-N 2.87Å | ||
| 764 | S | 31.9 | Very low | 46.9 | Very low | 129 Ų | 129 | 99.2 Ų | 99.2 | 90% | 0.902 | 59% | 0.594 | S | S | * | * | trans | -75.9 | 65.4 | 159.2 | 49.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 765 | S | 31.3 | Very low | 44.3 | Very low | 83 Ų | 83 | 104.5 Ų | 104.5 | 58% | 0.58 | 63% | 0.631 | S | S | * | * | trans | -161.8 | 79.9 | 169.4 | 33 | 0 | 0 | 0 | 0 | 114.2 | L763 S767 | L763-S765 VanDerWaalsContact C-N 3.27Å; L763-S765 PolarHBondContact O-N 2.87Å; S765-S767 VanDerWaalsContact C-N 3.28Å; S765-S767 PolarHBondContact O-N 3.11Å | ||
| 766 | S | 27.1 | Very low | 41.7 | Very low | 135 Ų | 135 | 111.5 Ų | 111.5 | 94% | 0.944 | 66% | 0.663 | S | S | * | * | trans | -79.1 | 69.1 | 169.4 | 56.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 767 | S | 32 | Very low | 39 | Very low | 101 Ų | 101 | 112.7 Ų | 112.7 | 71% | 0.706 | 68% | 0.677 | S | S | * | * | trans | -118.4 | 90 | 177.2 | 60.6 | 0 | 0 | 0 | 0 | 112.5 | S765 | S765-S767 VanDerWaalsContact C-N 3.28Å; S765-S767 PolarHBondContact O-N 3.11Å | ||
| 768 | L | 29.1 | Very low | 36.4 | Very low | 164 Ų | 164 | 117.1 Ų | 117.1 | 86% | 0.859 | 71% | 0.709 | S | S | * | * | trans | 19.5 | 124.6 | 156.8 | -67.8 | 164.1 | 0 | 0 | 0 | 120 | ||||
| 769 | S | 28.7 | Very low | 34.8 | Very low | 124 Ų | 124 | 121.5 Ų | 121.5 | 87% | 0.867 | 74% | 0.741 | S | S | * | * | trans | 57.1 | 87.6 | 152.5 | 56.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 770 | A | 29 | Very low | 32.7 | Very low | 102 Ų | 102 | 126 Ų | 126 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | trans | -119.3 | 133.1 | 148.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 771 | S | 28.5 | Very low | 30.9 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | -78.4 | 140.4 | -169.1 | 53 | 0 | 0 | 0 | 0 | 113.8 | V773 | S771-V773 PolarHBondContact O-N 2.76Š| ||
| 772 | Y | 23.9 | Very low | 29.8 | Very low | 219 Ų | 219 | 128.1 Ų | 128.1 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | trans | -54.4 | 120.7 | 175.4 | -141.5 | -102.6 | 0 | 0 | 0 | 112.3 | P774 | Y772-P774 HydrophobicContact CD1-CG 4.29Å; Y772-P774 HydrophobicContact CE1-CB 4.49Å; Y772-P774 HydrophobicContact CE1-CG 4.46Å | ||
| 773 | V | 31 | Very low | 29.3 | Very low | 122 Ų | 122 | 125.2 Ų | 125.2 | 74% | 0.739 | 78% | 0.782 | S | S | * | * | trans | -133.9 | 102.1 | 167.3 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | S771 | S771-V773 PolarHBondContact O-N 2.76Š| ||
| 774 | P | 35.4 | Very low | 29 | Very low | 106 Ų | 106 | 126 Ų | 126 | 69% | 0.688 | 79% | 0.787 | S | S | * | * | trans | -92.6 | 127.1 | -179.1 | 33.4 | -30.4 | 0 | 0 | 0 | 111.7 | Y772 | Y772-P774 HydrophobicContact CD1-CG 4.29Å; Y772-P774 HydrophobicContact CE1-CB 4.49Å; Y772-P774 HydrophobicContact CE1-CG 4.46Å | ||
| 775 | S | 27 | Very low | 28.7 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -147.5 | 143.1 | 169.4 | 57.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 776 | H | 25.3 | Very low | 28.5 | Very low | 183 Ų | 183 | 127 Ų | 127 | 85% | 0.847 | 80% | 0.795 | S | S | * | * | trans | -81.7 | 167.3 | -170.5 | -74 | -100.5 | 0 | 0 | 0 | 114.9 | ||||
| 777 | S | 25.4 | Very low | 28.6 | Very low | 103 Ų | 103 | 132.3 Ų | 132.3 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | 88.4 | 121.1 | 136.5 | 67.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 778 | S | 25.3 | Very low | 28.4 | Very low | 105 Ų | 105 | 135.6 Ų | 135.6 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | trans | 69.7 | 145.4 | 147.2 | 34.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 779 | P | 44.5 | Very low | 28.4 | Very low | 126 Ų | 126 | 130.2 Ų | 130.2 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -85.6 | 145.6 | -174.5 | 34.9 | -35.2 | 0 | 0 | 0 | 112.7 | ||||
| 780 | V | 26.3 | Very low | 28.3 | Very low | 143 Ų | 143 | 132.8 Ų | 132.8 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | trans | -116.4 | 140.9 | 169.6 | 178.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 781 | T | 24.6 | Very low | 28.5 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | trans | -89.2 | 172 | -175.5 | 51.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 782 | S | 26.1 | Very low | 28.6 | Very low | 97 Ų | 97 | 137.4 Ų | 137.4 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | trans | 65 | 112.4 | 155.6 | 50.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 783 | S | 27.3 | Very low | 29.2 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | 50.3 | 117.3 | 140 | 60.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 784 | D | 28.8 | Very low | 29.9 | Very low | 154 Ų | 154 | 132.2 Ų | 132.2 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | -147.1 | 170.5 | 104.5 | -137.3 | -30.9 | 0 | 0 | 0 | 112.4 | |||||
| 785 | N | 27.3 | Very low | 30.5 | Very low | 153 Ų | 153 | 135.4 Ų | 135.4 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -92.4 | 170.5 | -168.6 | -65.4 | -84.8 | 0 | 0 | 0 | 113.8 | ||||
| 786 | G | 27 | Very low | 32.2 | Very low | 80 Ų | 80 | 134.2 Ų | 134.2 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | trans | 104.6 | 27.9 | 144.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 787 | R | 27.4 | Very low | 34.5 | Very low | 245 Ų | 245 | 129.1 Ų | 129.1 | 93% | 0.925 | 74% | 0.742 | S | S | * | * | trans | -137.5 | 90 | 161.4 | -145.5 | 169.4 | -170.3 | 163.5 | 1.4 | 111.2 | G789 | R787-G789 PolarHBondContact O-N 2.99Š| ||
| 788 | I | 27.8 | Very low | 37.4 | Very low | 171 Ų | 171 | 124.5 Ų | 124.5 | 88% | 0.877 | 71% | 0.709 | S | S | * | * | trans | -63.4 | 106.8 | 166.3 | -61 | 174.7 | 0 | 0 | 0 | 105.8 | ||||
| 789 | G | 29 | Very low | 40.3 | Very low | 50 Ų | 50 | 120.2 Ų | 120.2 | 52% | 0.515 | 68% | 0.677 | S | S | . | * | trans | -64.7 | 141.3 | 176 | 0 | 0 | 0 | 0 | 0 | 110 | R787 I791 | R787-G789 PolarHBondContact O-N 2.99Å; G789-I791 PolarHBondContact O-N 3Å; G789-I791 VanDerWaalsContact O-N 3.14Å | ||
| 790 | E | 27.7 | Very low | 42.4 | Very low | 179 Ų | 179 | 114.2 Ų | 114.2 | 84% | 0.836 | 64% | 0.638 | S | S | * | * | trans | -55.7 | 119.5 | 163.3 | -67.5 | 165.7 | 127.7 | 0 | 0 | 107.3 | N792 | E790-N792 VanDerWaalsContact C-N 3.27Å; E790-N792 PolarHBondContact O-N 3.48Å | ||
| 791 | I | 32.3 | Very low | 45.4 | Very low | 157 Ų | 157 | 107.4 Ų | 107.4 | 81% | 0.805 | 60% | 0.597 | S | S | * | * | trans | -72.7 | 90.4 | -178.9 | -59.4 | 177.4 | 0 | 0 | 0 | 106.7 | G789 S793 | G789-I791 PolarHBondContact O-N 3Å; G789-I791 VanDerWaalsContact O-N 3.14Å; I791-S793 PolarHBondContact O-N 3.19Å | ||
| 792 | N | 31.9 | Very low | 48.2 | Very low | 152 Ų | 152 | 104.1 Ų | 104.1 | 81% | 0.813 | 57% | 0.571 | S | S | * | * | trans | -53 | 128.1 | -178.8 | -84.4 | -32.4 | 0 | 0 | 0 | 110.2 | E790 N794 | E790-N792 VanDerWaalsContact C-N 3.27Å; E790-N792 PolarHBondContact O-N 3.48Å; N792-N794 PolarHBondContact O-N 3.19Å | ||
| 793 | S | 36.1 | Very low | 50.9 | Low | 97 Ų | 97 | 99.5 Ų | 99.5 | 68% | 0.678 | 54% | 0.539 | S | S | * | . | trans | -70.5 | 125.1 | -151.9 | 55.6 | 0 | 0 | 0 | 0 | 114.7 | I791 H795 | I791-S793 PolarHBondContact O-N 3.19Å; S793-H795 PolarHBondContact O-N 3.38Å | ||
| 794 | N | 44.6 | Very low | 53.1 | Low | 135 Ų | 135 | 95.4 Ų | 95.4 | 72% | 0.722 | 51% | 0.513 | S | S | * | . | trans | 24.9 | 78.6 | 151.7 | -61.8 | 9.1 | 0 | 0 | 0 | 116.8 | N792 N796 | N792-N794 PolarHBondContact O-N 3.19Å; N794-N796 PolarHBondContact O-N 3.34Å | ||
| 795 | H | 49.5 | Very low | 55.1 | Low | 173 Ų | 173 | 88.1 Ų | 88.1 | 80% | 0.801 | 48% | 0.475 | S | S | * | . | trans | -77.7 | 109.2 | 151 | -75.5 | -81.6 | 0 | 0 | 0 | 108.3 | S793 E797 | S793-H795 PolarHBondContact O-N 3.38Å; H795-E797 PolarHBondContact O-N 3.39Å | ||
| 796 | N | 62.4 | Low | 57 | Low | 88 Ų | 88 | 80.9 Ų | 80.9 | 47% | 0.471 | 44% | 0.436 | S | S | . | . | trans | -67.9 | 112 | 170.3 | -76.2 | 25.5 | 0 | 0 | 0 | 108.5 | N794 E919 | N794-N796 PolarHBondContact O-N 3.34Å; N796-E919 PolarHBondContact ND2-OE2 3.28Å | ||
| 797 | E | 73.8 | Confident | 58.5 | Low | 77 Ų | 77 | 77.2 Ų | 77.2 | 36% | 0.36 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 141.9 | 171.3 | -61.9 | 178.1 | 171.2 | 0 | 0 | 110.6 | H701 P703 H795 | H701-E797 IonicContact CD2-OE2 3.63Å; H701-E797 IonicContact CE1-OE2 3.51Å; H701-E797 PolarHBondContact CE1-OE2 2.97Å; H701-E797 IonicContact NE2-OE2 2.81Å; H701-E797 PolarHBondContact NE2-OE2 3.2Å; P703-E797 HydrophobicContact CB-CB 4.07Å; P703-E797 HydrophobicContact CG-CB 3.99Å; P703-E797 WeakPolarHBondContact CG-O 3.41Å; H795-E797 PolarHBondContact O-N 3.39Å |
| 798 | P | 86.1 | Confident | 60 | Low | 6 Ų | 6 | 66.3 Ų | 66.3 | 4% | 0.039 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -80.4 | 155.1 | 174.8 | 32.3 | -34.6 | 0 | 0 | 0 | 112.5 | P664 I667 H701 F758 I800 | P664-P798 HydrophobicContact CG-CB 4.31Å; I667-P798 HydrophobicContact CD1-CB 4.34Å; I667-P798 HydrophobicContact CD1-CG 4.06Å; I667-P798 HydrophobicContact CG1-CB 4.32Å; H701-P798 PolarHBondContact CD2-O 3.42Å; F758-P798 HydrophobicContact CB-CG 4.11Å; F758-P798 HydrophobicContact CD1-CG 4.24Å; F758-P798 HydrophobicContact CG-CG 4.19Å; P798-I800 HydrophobicContact CG-CG1 4.4Å |
| 799 | F | 86.5 | Confident | 61.3 | Low | 15 Ų | 15 | 59.3 Ų | 59.3 | 7% | 0.066 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 138.6 | 160.3 | -73.3 | -98.9 | 0 | 0 | 0 | 109.9 | H665 L666 I667 I702 P703 N712 L715 F716 | H665-F799 PolarHBondContact O-N 3.22Å; L666-F799 CarbonylContact C-O 3.52Å; L666-F799 WeakPolarHBondContact CA-O 3.29Å; L666-F799 HydrophobicContact CD1-CB 3.8Å; I667-F799 PolarHBondContact N-O 3.36Å; I702-F799 HydrophobicContact CG1-CD1 4.4Å; I702-F799 HydrophobicContact CG1-CE1 4.49Å; I702-F799 HydrophobicContact CG2-CE1 3.93Å; P703-F799 HydrophobicContact CG-CD2 4.18Å; P703-F799 HydrophobicContact CG-CE2 4.18Å; N712-F799 HydrophobicContact CB-CZ 4.15Å; L715-F799 HydrophobicContact CD2-CE2 3.89Å; L715-F799 HydrophobicContact CD2-CZ 3.76Å; L715-F799 HydrophobicContact CG-CZ 4.26Å; F716-F799 HydrophobicContact CB-CE1 4.43Å |
| 800 | I | 88.7 | Confident | 62.2 | Low | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 122.4 | 178.5 | -49.4 | -179.5 | 0 | 0 | 0 | 109.4 | I667 I700 H701 L754 L755 F758 P798 | I667-I800 HydrophobicContact CB-CB 4.5Å; I667-I800 HydrophobicContact CB-CG1 4.3Å; I667-I800 HydrophobicContact CB-CG2 4.19Å; I667-I800 HydrophobicContact CD1-CD1 4.48Å; I667-I800 HydrophobicContact CD1-CG1 4.27Å; I667-I800 HydrophobicContact CG2-CG2 4.28Å; I700-I800 HydrophobicContact CB-CB 4.13Å; I700-I800 HydrophobicContact CB-CG2 3.89Å; I700-I800 HydrophobicContact CD1-CG2 4.03Å; I700-I800 HydrophobicContact CG1-CG2 4.43Å; I700-I800 HydrophobicContact CG2-CG2 4.26Å; I700-I800 PolarHBondContact N-O 3.43Å; H701-I800 HydrophobicContact CB-CB 4.01Å; H701-I800 HydrophobicContact CB-CD1 4.05Å; H701-I800 HydrophobicContact CB-CG1 3.99Å; H701-I800 PolarHBondContact N-O 3.38Å; H701-I800 VanDerWaalsContact N-O 3.15Å; H701-I800 PolarHBondContact O-N 3.3Å; L754-I800 HydrophobicContact CD2-CG2 4.24Å; L755-I800 HydrophobicContact CD1-CD1 4.33Å; F758-I800 HydrophobicContact CD2-CD1 4.4Å; P798-I800 HydrophobicContact CG-CG1 4.4Å |
| 801 | L | 88 | Confident | 63.3 | Low | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 149.7 | -174.8 | -54.2 | -176.1 | 0 | 0 | 0 | 112 | L666 I667 I668 T669 L697 T698 A699 F716 | L666-L801 HydrophobicContact CD1-CD1 3.79Å; L666-L801 HydrophobicContact CD1-CG 3.92Å; I667-L801 PolarHBondContact O-N 3.32Å; I668-L801 CarbonylContact C-O 3.58Å; I668-L801 WeakPolarHBondContact CA-O 3.47Å; T669-L801 PolarHBondContact N-O 2.81Å; L697-L801 HydrophobicContact CD1-CB 4.22Å; L697-L801 HydrophobicContact CD1-CD1 4.35Å; L697-L801 HydrophobicContact CD2-CD1 4.26Å; T698-L801 CarbonylContact O-C 3.4Å; T698-L801 WeakPolarHBondContact O-CA 3.49Å; A699-L801 HydrophobicContact CB-CD2 4.17Å; F716-L801 HydrophobicContact CD2-CD2 3.93Å; F716-L801 HydrophobicContact CE2-CD2 3.72Å |
| 802 | R | 83 | Confident | 64.2 | Low | 49 Ų | 49 | 49.2 Ų | 49.2 | 19% | 0.185 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 134.9 | 175.6 | -171.2 | -158.8 | -74 | -178 | -7.6 | 110.3 | T669 E671 L697 T698 I700 E751 | T669-R802 WeakPolarHBondContact OG1-CA 3.43Å; T669-R802 WeakPolarHBondContact OG1-CG 3.26Å; E671-R802 WeakPolarHBondContact OE1-CG 3.47Å; E671-R802 VanDerWaalsContact OE2-CD 3.27Å; E671-R802 WeakPolarHBondContact OE2-CD 3.3Å; E671-R802 IonicContact OE2-CZ 2.68Å; E671-R802 IonicContact OE2-NE 2.65Å; E671-R802 PolarHBondContact OE2-NE 3.03Å; L697-R802 CarbonylContact C-O 3.58Å; L697-R802 WeakPolarHBondContact CA-O 3.37Å; T698-R802 PolarHBondContact N-O 3.07Å; T698-R802 PolarHBondContact O-N 3.11Å; I700-R802 HydrophobicContact CD1-CB 4.09Å; I700-R802 HydrophobicContact CG1-CB 4.19Å; E751-R802 IonicContact OE1-CZ 3.43Å; E751-R802 IonicContact OE1-NE 3.62Å; E751-R802 PolarHBondContact OE1-NE 2.75Å; E751-R802 IonicContact OE1-NH2 2.75Å; E751-R802 PolarHBondContact OE1-NH2 2.82Å; E751-R802 IonicContact OE2-CZ 3.62Å; E751-R802 IonicContact OE2-NE 3.27Å; E751-R802 IonicContact OE2-NH2 2.79Å; E751-R802 PolarHBondContact OE2-NH2 3.43Å |
| 803 | L | 84.1 | Confident | 64.9 | Low | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 123.1 | -179.4 | -171 | 168.1 | 0 | 0 | 0 | 111 | I668 T669 L670 E671 P696 L697 F723 T805 T830 L834 | I668-L803 HydrophobicContact CG2-CB 4.27Å; I668-L803 HydrophobicContact CG2-CD1 4.4Å; T669-L803 WeakPolarHBondContact O-CB 3.39Å; T669-L803 PolarHBondContact O-N 2.85Å; L670-L803 HydrophobicContact CD2-CB 4.11Å; L670-L803 HydrophobicContact CD2-CD1 4.04Å; L670-L803 HydrophobicContact CD2-CD2 4.07Å; L670-L803 HydrophobicContact CD2-CG 4.31Å; E671-L803 PolarHBondContact N-O 2.8Å; P696-L803 WeakPolarHBondContact O-CA 3.37Å; L697-L803 HydrophobicContact CD1-CB 4.19Å; L697-L803 HydrophobicContact CD1-CG 4.5Å; F723-L803 HydrophobicContact CD2-CD1 4.46Å; F723-L803 HydrophobicContact CE2-CD1 3.57Å; F723-L803 HydrophobicContact CE2-CG 4.15Å; F723-L803 HydrophobicContact CZ-CD1 3.87Å; F723-L803 HydrophobicContact CZ-CD2 4.32Å; F723-L803 HydrophobicContact CZ-CG 3.94Å; L803-T805 HydrophobicContact CD2-CG2 3.75Å; L803-T830 HydrophobicContact CD2-CG2 4.38Å; L803-L834 HydrophobicContact CD1-CD2 3.61Å; L803-L834 HydrophobicContact CD1-CG 4.32Å |
| 804 | G | 72.4 | Confident | 65.4 | Low | 21 Ų | 21 | 48.4 Ų | 48.4 | 22% | 0.216 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 121 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E671 P696 | E671-G804 CarbonylContact O-C 3.56Å; E671-G804 WeakPolarHBondContact O-CA 3.49Å; P696-G804 PolarHBondContact O-N 3.5Å |
| 805 | T | 71.8 | Confident | 65.4 | Low | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | -5.5 | -173.5 | 62.8 | 0 | 0 | 0 | 0 | 115.9 | I575 L670 E671 L803 L826 | I575-T805 HydrophobicContact CG2-CG2 4.35Å; L670-T805 HydrophobicContact CB-CG2 4.07Å; L670-T805 HydrophobicContact CD2-CG2 4.26Å; E671-T805 PolarHBondContact O-N 3.03Å; E671-T805 PolarHBondContact O-OG1 3.07Å; L803-T805 HydrophobicContact CD2-CG2 3.75Å; T805-L826 WeakPolarHBondContact O-CD1 3.43Å |
| 806 | G | 66.1 | Low | 65.2 | Low | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175 | 172.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S672 N673 I676 | S672-G806 CarbonylContact C-O 3.34Å; S672-G806 VanDerWaalsContact CA-O 3.24Å; S672-G806 WeakPolarHBondContact CA-O 3.44Å; N673-G806 PolarHBondContact N-O 3.17Å; I676-G806 VanDerWaalsContact CD1-N 3.31Å |
| 807 | C | 59.9 | Low | 65 | Low | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | trans | -70.3 | 138.7 | 164.4 | -61.2 | 0 | 0 | 0 | 0 | 109.9 | N673 F735 C737 L812 | N673-C807 WeakPolarHBondContact O-CA 3.43Å; F735-C807 WeakPolarHBondContact CB-SG 3.14Å; C737-C807 VanDerWaalsContact CA-SG 3.53Å; C737-C807 HydrophobicContact CB-CB 4.02Å; C737-C807 WeakPolarHBondContact CB-SG 3.28Å; C737-C807 PolarHBondContact N-SG 3.28Å; C737-C807 VanDerWaalsContact N-SG 3.42Å; C737-C807 WeakPolarHBondContact SG-CB 3.39Å; C737-C807 CovalentContact SG-SG 2.04Å; C737-C807 PolarHBondContact SG-SG 2.81Å; C807-L812 HydrophobicContact CB-CD2 4.03Å | ||
| 808 | H | 58.5 | Low | 64.2 | Low | 17 Ų | 17 | 35.3 Ų | 35.3 | 8% | 0.079 | 21% | 0.207 | C | C | . | . | trans | -70.7 | 140.7 | 167.7 | -178.4 | -87.4 | 0 | 0 | 0 | 111.1 | K568 Q810 Y811 | K568-H808 WeakPolarHBondContact CB-NE2 3.49Å; H808-Q810 VanDerWaalsContact C-N 3.28Å; H808-Q810 PolarHBondContact CE1-OE1 3.25Å; H808-Q810 VanDerWaalsContact ND1-CD 3.34Å; H808-Q810 WeakPolarHBondContact ND1-CG 3.29Å; H808-Q810 PolarHBondContact ND1-N 3.31Å; H808-Q810 PolarHBondContact O-N 3.1Å; H808-Q810 VanDerWaalsContact O-N 3.08Å; H808-Y811 HydrophobicContact CB-CD2 4.02Å; H808-Y811 HydrophobicContact CB-CE2 4.26Å; H808-Y811 PolarHBondContact O-N 3.06Å; H808-Y811 VanDerWaalsContact O-N 3.07Å | ||
| 809 | P | 54.3 | Low | 63 | Low | 24 Ų | 24 | 38.8 Ų | 38.8 | 16% | 0.156 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -54.7 | -34.1 | -169.5 | -29.8 | 35.9 | 0 | 0 | 0 | 116 | Y811 L812 Y817 | P809-Y811 PolarHBondContact O-N 3.21Å; P809-L812 PolarHBondContact O-N 3Å; P809-L812 VanDerWaalsContact O-N 3.12Å; P809-Y817 HydrophobicContact CB-CD1 4.36Å; P809-Y817 HydrophobicContact CB-CE1 4.39Å; P809-Y817 HydrophobicContact CG-CD1 3.96Å; P809-Y817 HydrophobicContact CG-CE1 3.96Å |
| 810 | Q | 49.4 | Very low | 62.2 | Low | 118 Ų | 118 | 38.7 Ų | 38.7 | 55% | 0.551 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -66.5 | -6.7 | -179.1 | 83.6 | -156.6 | 5.8 | 0 | 0 | 114.9 | H808 | H808-Q810 VanDerWaalsContact C-N 3.28Å; H808-Q810 PolarHBondContact CE1-OE1 3.25Å; H808-Q810 VanDerWaalsContact ND1-CD 3.34Å; H808-Q810 WeakPolarHBondContact ND1-CG 3.29Å; H808-Q810 PolarHBondContact ND1-N 3.31Å; H808-Q810 PolarHBondContact O-N 3.1Å; H808-Q810 VanDerWaalsContact O-N 3.08Å |
| 811 | Y | 50.7 | Low | 61.2 | Low | 25 Ų | 25 | 45.5 Ų | 45.5 | 10% | 0.098 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -113.1 | 8.7 | 176.4 | -52.4 | -73.1 | 0 | 0 | 0 | 113.5 | N674 T738 T740 H808 P809 | N674-Y811 HydrophobicContact CB-CD2 4.31Å; N674-Y811 HydrophobicContact CB-CE2 4.21Å; N674-Y811 VanDerWaalsContact CG-CZ 3.45Å; N674-Y811 PolarHBondContact ND2-OH 3.46Å; N674-Y811 VanDerWaalsContact ND2-OH 3.09Å; N674-Y811 WeakPolarHBondContact OD1-CE2 3.5Å; T738-Y811 PolarHBondContact N-O 2.85Å; T738-Y811 WeakPolarHBondContact O-CD1 3.49Å; T738-Y811 WeakPolarHBondContact OG1-CA 3.47Å; T738-Y811 PolarHBondContact OG1-O 3.28Å; T740-Y811 HydrophobicContact CG2-CD1 4.49Å; T740-Y811 HydrophobicContact CG2-CE1 3.82Å; H808-Y811 HydrophobicContact CB-CD2 4.02Å; H808-Y811 HydrophobicContact CB-CE2 4.26Å; H808-Y811 PolarHBondContact O-N 3.06Å; H808-Y811 VanDerWaalsContact O-N 3.07Å; P809-Y811 PolarHBondContact O-N 3.21Å |
| 812 | L | 50.6 | Low | 60.5 | Low | 31 Ų | 31 | 49.2 Ų | 49.2 | 16% | 0.162 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -85.4 | 126.4 | 169.8 | -65.5 | 173.9 | 0 | 0 | 0 | 108.9 | C807 P809 N814 G815 S816 | C807-L812 HydrophobicContact CB-CD2 4.03Å; P809-L812 PolarHBondContact O-N 3Å; P809-L812 VanDerWaalsContact O-N 3.12Å; L812-N814 PolarHBondContact O-N 2.67Å; L812-G815 PolarHBondContact O-N 3.44Å; L812-S816 WeakPolarHBondContact CD1-O 3.5Å |
| 813 | S | 46.3 | Very low | 60.3 | Low | 100 Ų | 100 | 47.1 Ų | 47.1 | 70% | 0.699 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -21.8 | -167 | 62.2 | 0 | 0 | 0 | 0 | 116.2 | ||
| 814 | N | 45.7 | Very low | 60.2 | Low | 132 Ų | 132 | 47.3 Ų | 47.3 | 71% | 0.706 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | -1.2 | -174.5 | -62 | 10.7 | 0 | 0 | 0 | 113 | L812 S816 | L812-N814 PolarHBondContact O-N 2.67Å; N814-S816 PolarHBondContact O-N 3.37Å |
| 815 | G | 44.8 | Very low | 60.4 | Low | 54 Ų | 54 | 49.5 Ų | 49.5 | 56% | 0.557 | 28% | 0.275 | S | S | * | . | S | Bend | trans | 65.3 | 3.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115 | L812 | L812-G815 PolarHBondContact O-N 3.44Š|
| 816 | S | 47.2 | Very low | 60.6 | Low | 65 Ų | 65 | 49.8 Ų | 49.8 | 46% | 0.455 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 136.6 | 170.7 | 53.7 | 0 | 0 | 0 | 0 | 110.3 | L812 N814 | L812-S816 WeakPolarHBondContact CD1-O 3.5Å; N814-S816 PolarHBondContact O-N 3.37Å |
| 817 | Y | 56.9 | Low | 61.6 | Low | 60 Ų | 60 | 49.8 Ų | 49.8 | 24% | 0.235 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 162 | 163.5 | -73.4 | -92.5 | 0 | 0 | 0 | 110.9 | L570 S620 V621 P809 D819 | L570-Y817 HydrophobicContact CD1-CD1 4.27Å; L570-Y817 HydrophobicContact CD1-CE1 3.9Å; S620-Y817 PolarHBondContact OG-OH 3.28Å; V621-Y817 HydrophobicContact CG2-CD1 4.02Å; V621-Y817 HydrophobicContact CG2-CD2 3.57Å; V621-Y817 HydrophobicContact CG2-CE1 4.05Å; V621-Y817 HydrophobicContact CG2-CE2 3.58Å; V621-Y817 HydrophobicContact CG2-CG 3.78Å; P809-Y817 HydrophobicContact CB-CD1 4.36Å; P809-Y817 HydrophobicContact CB-CE1 4.39Å; P809-Y817 HydrophobicContact CG-CD1 3.96Å; P809-Y817 HydrophobicContact CG-CE1 3.96Å; Y817-D819 PolarHBondContact O-N 2.95Å |
| 818 | L | 57.1 | Low | 62.8 | Low | 19 Ų | 19 | 51.5 Ų | 51.5 | 10% | 0.099 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 136 | 175.9 | -153 | 79.9 | 0 | 0 | 0 | 110.3 | I571 F735 A820 Q822 L826 | I571-L818 HydrophobicContact CD1-CB 4.31Å; I571-L818 HydrophobicContact CD1-CD2 4.28Å; F735-L818 HydrophobicContact CD1-CD1 4.17Å; F735-L818 HydrophobicContact CE1-CD1 4.03Å; L818-A820 PolarHBondContact O-N 3.37Å; L818-Q822 HydrophobicContact CD2-CB 4.03Å; L818-Q822 HydrophobicContact CG-CB 4.32Å; L818-L826 HydrophobicContact CD2-CD2 4.06Å |
| 819 | D | 62.1 | Low | 63.5 | Low | 78 Ų | 78 | 53.4 Ų | 53.4 | 42% | 0.417 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 131.3 | 173.5 | -172.2 | -14.7 | 0 | 0 | 0 | 109.4 | Y817 Q821 Q822 | Y817-D819 PolarHBondContact O-N 2.95Å; D819-Q821 PolarHBondContact O-N 3.32Å; D819-Q821 VanDerWaalsContact O-N 3.11Å; D819-Q821 WeakPolarHBondContact OD1-CG 3.46Å; D819-Q821 PolarHBondContact OD1-N 3.16Å; D819-Q821 PolarHBondContact OD1-NE2 3.26Å; D819-Q821 PolarHBondContact OD2-NE2 3.36Å; D819-Q822 HydrophobicContact CB-CG 4.48Å; D819-Q822 WeakPolarHBondContact O-CB 3.46Å; D819-Q822 PolarHBondContact O-N 3.36Å |
| 820 | A | 68.8 | Low | 64.9 | Low | 14 Ų | 14 | 52.7 Ų | 52.7 | 12% | 0.116 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -59.6 | -23.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P459 F461 L818 Q822 L823 | P459-A820 CarbonylContact C-O 3.57Å; P459-A820 WeakPolarHBondContact CA-O 3.02Å; P459-A820 VanDerWaalsContact O-CB 3.23Å; P459-A820 WeakPolarHBondContact O-CB 3.27Å; F461-A820 HydrophobicContact CD2-CB 4Å; F461-A820 HydrophobicContact CE2-CB 3.94Å; L818-A820 PolarHBondContact O-N 3.37Å; A820-Q822 PolarHBondContact O-N 2.74Å; A820-Q822 VanDerWaalsContact O-N 3.17Å; A820-L823 HydrophobicContact CB-CD1 4.25Å; A820-L823 PolarHBondContact O-N 2.87Å |
| 821 | Q | 68.5 | Low | 66.7 | Low | 142 Ų | 142 | 47.1 Ų | 47.1 | 66% | 0.664 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -57.3 | -22.4 | 170.2 | -66.3 | 177.9 | 64.6 | 0 | 0 | 114.2 | D819 | D819-Q821 PolarHBondContact O-N 3.32Å; D819-Q821 VanDerWaalsContact O-N 3.11Å; D819-Q821 WeakPolarHBondContact OD1-CG 3.46Å; D819-Q821 PolarHBondContact OD1-N 3.16Å; D819-Q821 PolarHBondContact OD1-NE2 3.26Å; D819-Q821 PolarHBondContact OD2-NE2 3.36Å |
| 822 | Q | 71.8 | Confident | 68.2 | Low | 78 Ų | 78 | 48.2 Ų | 48.2 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -91.6 | -11.3 | -177.6 | -60.4 | -175.5 | 4.7 | 0 | 0 | 114 | L818 D819 A820 L826 | L818-Q822 HydrophobicContact CD2-CB 4.03Å; L818-Q822 HydrophobicContact CG-CB 4.32Å; D819-Q822 HydrophobicContact CB-CG 4.48Å; D819-Q822 WeakPolarHBondContact O-CB 3.46Å; D819-Q822 PolarHBondContact O-N 3.36Å; A820-Q822 PolarHBondContact O-N 2.74Å; A820-Q822 VanDerWaalsContact O-N 3.17Å; Q822-L826 PolarHBondContact O-N 2.73Å |
| 823 | L | 79.1 | Confident | 69.7 | Low | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.8 | -39.6 | -176 | -63.9 | 172.6 | 0 | 0 | 0 | 114.5 | F461 E574 R578 A820 W827 | F461-L823 HydrophobicContact CD1-CD1 3.96Å; F461-L823 HydrophobicContact CD2-CD1 4.28Å; F461-L823 HydrophobicContact CE1-CD1 3.89Å; F461-L823 HydrophobicContact CE1-CD2 4.04Å; F461-L823 HydrophobicContact CE2-CD1 4.21Å; F461-L823 HydrophobicContact CG-CD1 4.16Å; F461-L823 HydrophobicContact CZ-CD1 4.02Å; F461-L823 HydrophobicContact CZ-CD2 4.19Å; F461-L823 HydrophobicContact CZ-CG 4.5Å; E574-L823 HydrophobicContact CG-CD1 4.49Å; E574-L823 HydrophobicContact CG-CD2 4.3Å; R578-L823 PolarHBondContact NH1-O 3.41Å; A820-L823 HydrophobicContact CB-CD1 4.25Å; A820-L823 PolarHBondContact O-N 2.87Å; L823-W827 WeakPolarHBondContact O-CB 3.46Å; L823-W827 PolarHBondContact O-N 3.04Å; L823-W827 VanDerWaalsContact O-N 3.1Å |
| 824 | P | 82.2 | Confident | 71.6 | Confident | 6 Ų | 6 | 42 Ų | 42 | 4% | 0.039 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.9 | -46 | -179.6 | -24.2 | 36.2 | 0 | 0 | 0 | 113.3 | T442 W445 R457 W827 H828 | T442-P824 HydrophobicContact CG2-CB 4.23Å; W445-P824 WeakPolarHBondContact CH2-O 3.41Å; W445-P824 HydrophobicContact CZ2-CB 3.97Å; W445-P824 VanDerWaalsContact CZ2-O 3.31Å; W445-P824 WeakPolarHBondContact CZ2-O 3.33Å; R457-P824 VanDerWaalsContact O-CG 3.29Å; R457-P824 WeakPolarHBondContact O-CG 3.46Å; P824-W827 PolarHBondContact O-N 2.91Å; P824-H828 WeakPolarHBondContact O-CB 2.98Å; P824-H828 PolarHBondContact O-N 2.92Å |
| 825 | E | 76.4 | Confident | 73.6 | Confident | 66 Ų | 66 | 38.3 Ų | 38.3 | 31% | 0.308 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -71.7 | -32.9 | -179 | -67.5 | -55.9 | 131.4 | 0 | 0 | 112.9 | W445 H828 S829 | W445-E825 PolarHBondContact NE1-OE1 3.49Å; E825-H828 IonicContact OE2-ND1 2.75Å; E825-H828 PolarHBondContact OE2-ND1 3.15Å; E825-S829 PolarHBondContact O-N 2.77Å; E825-S829 VanDerWaalsContact O-N 3.07Å; E825-S829 PolarHBondContact O-OG 3.46Å |
| 826 | L | 76.9 | Confident | 75.3 | Confident | 9 Ų | 9 | 40.5 Ų | 40.5 | 5% | 0.047 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.5 | -43.9 | 174 | -174.7 | 59.1 | 0 | 0 | 0 | 111.1 | I571 I575 F735 T805 L818 Q822 S829 T830 | I571-L826 HydrophobicContact CG2-CD2 3.71Å; I575-L826 HydrophobicContact CD1-CG 4.39Å; F735-L826 HydrophobicContact CE2-CD1 4.1Å; F735-L826 HydrophobicContact CZ-CD1 3.94Å; T805-L826 WeakPolarHBondContact O-CD1 3.43Å; L818-L826 HydrophobicContact CD2-CD2 4.06Å; Q822-L826 PolarHBondContact O-N 2.73Å; L826-S829 PolarHBondContact O-N 3.1Å; L826-S829 PolarHBondContact O-OG 2.97Å; L826-T830 PolarHBondContact O-N 3.41Å; L826-T830 PolarHBondContact O-OG1 3.32Å |
| 827 | W | 87.6 | Confident | 77.2 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.6 | -52.1 | 174.1 | 167.9 | -122.1 | 0 | 0 | 0 | 112.2 | D450 N456 I575 R578 L579 H582 L823 P824 S829 T830 L831 | D450-W827 PolarHBondContact OD2-NE1 3.24Å; N456-W827 PolarHBondContact ND2-NE1 2.92Å; I575-W827 HydrophobicContact CD1-CB 4.02Å; I575-W827 HydrophobicContact CD1-CE3 4.05Å; I575-W827 HydrophobicContact CG2-CE3 4.34Å; I575-W827 HydrophobicContact CG2-CZ3 4.43Å; R578-W827 HydrophobicContact CB-CD2 3.64Å; R578-W827 HydrophobicContact CB-CE3 3.73Å; R578-W827 HydrophobicContact CB-CG 4.11Å; R578-W827 HydrophobicContact CB-CH2 4.49Å; R578-W827 HydrophobicContact CB-CZ2 4.38Å; R578-W827 HydrophobicContact CB-CZ3 4.16Å; R578-W827 HydrophobicContact CG-CG 4.49Å; L579-W827 HydrophobicContact CB-CH2 3.99Å; L579-W827 HydrophobicContact CB-CZ3 4.03Å; L579-W827 HydrophobicContact CD1-CH2 4.14Å; H582-W827 HydrophobicContact CB-CH2 4.04Å; H582-W827 HydrophobicContact CB-CZ2 3.68Å; L823-W827 WeakPolarHBondContact O-CB 3.46Å; L823-W827 PolarHBondContact O-N 3.04Å; L823-W827 VanDerWaalsContact O-N 3.1Å; P824-W827 PolarHBondContact O-N 2.91Å; W827-S829 VanDerWaalsContact C-N 3.3Å; W827-S829 PolarHBondContact O-N 3.32Å; W827-T830 PolarHBondContact O-N 2.91Å; W827-L831 HydrophobicContact CH2-CB 3.97Å; W827-L831 HydrophobicContact CH2-CD1 3.83Å; W827-L831 HydrophobicContact CH2-CD2 4.43Å; W827-L831 HydrophobicContact CH2-CG 4.29Å; W827-L831 HydrophobicContact CZ2-CB 3.98Å; W827-L831 HydrophobicContact CZ2-CD1 3.93Å; W827-L831 HydrophobicContact CZ2-CD2 3.75Å; W827-L831 HydrophobicContact CZ2-CG 4.1Å; W827-L831 HydrophobicContact CZ3-CB 4.3Å; W827-L831 PolarHBondContact O-N 3.39Å |
| 828 | H | 83.9 | Confident | 78.8 | Confident | 38 Ų | 38 | 35 Ų | 35 | 18% | 0.176 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -48.5 | -48.3 | 175 | 174.5 | -157.9 | 0 | 0 | 0 | 112.6 | W445 P824 E825 T830 I832 | W445-H828 AromaticContact CD1-CE1 3.53Å; W445-H828 AromaticContact CD1-ND1 3.41Å; W445-H828 HydrophobicContact CD2-CB 3.82Å; W445-H828 AromaticContact CD2-CD2 3.78Å; W445-H828 AromaticContact CD2-CG 3.5Å; W445-H828 AromaticContact CD2-ND1 3.67Å; W445-H828 AromaticContact CE2-CG 3.74Å; W445-H828 AromaticContact CE2-ND1 3.75Å; W445-H828 HydrophobicContact CE3-CB 3.84Å; W445-H828 AromaticContact CE3-CD2 3.81Å; W445-H828 AromaticContact CE3-CG 3.77Å; W445-H828 AromaticContact CG-CD2 3.94Å; W445-H828 AromaticContact CG-CE1 3.47Å; W445-H828 VanDerWaalsContact CG-CE1 3.47Å; W445-H828 AromaticContact CG-CG 3.84Å; W445-H828 AromaticContact CG-ND1 3.55Å; W445-H828 AromaticContact CG-NE2 3.75Å; W445-H828 HydrophobicContact CH2-CB 3.87Å; W445-H828 HydrophobicContact CZ2-CB 3.75Å; W445-H828 HydrophobicContact CZ3-CB 3.89Å; W445-H828 AromaticContact NE1-CG 3.95Å; W445-H828 AromaticContact NE1-ND1 3.46Å; W445-H828 PolarHBondContact NE1-ND1 3.26Å; P824-H828 WeakPolarHBondContact O-CB 2.98Å; P824-H828 PolarHBondContact O-N 2.92Å; E825-H828 IonicContact OE2-ND1 2.75Å; E825-H828 PolarHBondContact OE2-ND1 3.15Å; H828-T830 VanDerWaalsContact C-N 3.34Å; H828-T830 PolarHBondContact O-N 3.29Å; H828-I832 WeakPolarHBondContact O-CG1 3.48Å; H828-I832 PolarHBondContact O-N 3.24Å |
| 829 | S | 74.2 | Confident | 80 | Confident | 57 Ų | 57 | 35.6 Ų | 35.6 | 40% | 0.399 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -67 | -31.5 | 179.9 | 73.5 | 0 | 0 | 0 | 0 | 114 | E825 L826 W827 | E825-S829 PolarHBondContact O-N 2.77Å; E825-S829 VanDerWaalsContact O-N 3.07Å; E825-S829 PolarHBondContact O-OG 3.46Å; L826-S829 PolarHBondContact O-N 3.1Å; L826-S829 PolarHBondContact O-OG 2.97Å; W827-S829 VanDerWaalsContact C-N 3.3Å; W827-S829 PolarHBondContact O-N 3.32Å |
| 830 | T | 82.3 | Confident | 80.9 | Confident | 9 Ų | 9 | 32.7 Ų | 32.7 | 6% | 0.055 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -79 | -42.5 | -178.2 | -53.6 | 0 | 0 | 0 | 0 | 111.5 | I575 L803 L826 W827 H828 I832 G833 L834 | I575-T830 HydrophobicContact CG2-CG2 4.01Å; L803-T830 HydrophobicContact CD2-CG2 4.38Å; L826-T830 PolarHBondContact O-N 3.41Å; L826-T830 PolarHBondContact O-OG1 3.32Å; W827-T830 PolarHBondContact O-N 2.91Å; H828-T830 VanDerWaalsContact C-N 3.34Å; H828-T830 PolarHBondContact O-N 3.29Å; T830-I832 VanDerWaalsContact C-N 3.35Å; T830-I832 PolarHBondContact O-N 2.92Å; T830-G833 PolarHBondContact O-N 2.96Å; T830-L834 HydrophobicContact CG2-CD1 4.21Å; T830-L834 PolarHBondContact O-N 3.35Å; T830-L834 VanDerWaalsContact O-N 3.15Å |
| 831 | L | 88.3 | Confident | 81.8 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.8 | -45.5 | 179 | 174.8 | 58.9 | 0 | 0 | 0 | 112.3 | L449 D450 W827 G833 L834 N835 | L449-L831 HydrophobicContact CB-CD2 4.36Å; L449-L831 WeakPolarHBondContact O-CD2 3.41Å; D450-L831 HydrophobicContact CB-CD2 3.99Å; W827-L831 HydrophobicContact CH2-CB 3.97Å; W827-L831 HydrophobicContact CH2-CD1 3.83Å; W827-L831 HydrophobicContact CH2-CD2 4.43Å; W827-L831 HydrophobicContact CH2-CG 4.29Å; W827-L831 HydrophobicContact CZ2-CB 3.98Å; W827-L831 HydrophobicContact CZ2-CD1 3.93Å; W827-L831 HydrophobicContact CZ2-CD2 3.75Å; W827-L831 HydrophobicContact CZ2-CG 4.1Å; W827-L831 HydrophobicContact CZ3-CB 4.3Å; W827-L831 PolarHBondContact O-N 3.39Å; L831-G833 VanDerWaalsContact C-N 3.31Å; L831-G833 PolarHBondContact O-N 3.01Å; L831-L834 PolarHBondContact O-N 3.21Å; L831-N835 PolarHBondContact O-N 3Å |
| 832 | I | 81.6 | Confident | 82.4 | Confident | 49 Ų | 49 | 26.6 Ų | 26.6 | 25% | 0.251 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -58.8 | -40.3 | 179.6 | -71.8 | 171 | 0 | 0 | 0 | 112.2 | L449 T726 H828 T830 | L449-I832 HydrophobicContact CD1-CD1 3.8Å; L449-I832 HydrophobicContact CD1-CG1 3.83Å; T726-I832 VanDerWaalsContact CB-CG2 3.46Å; T726-I832 HydrophobicContact CG2-CG2 4.28Å; T726-I832 WeakPolarHBondContact OG1-CG2 3.15Å; H828-I832 WeakPolarHBondContact O-CG1 3.48Å; H828-I832 PolarHBondContact O-N 3.24Å; T830-I832 VanDerWaalsContact C-N 3.35Å; T830-I832 PolarHBondContact O-N 2.92Å |
| 833 | G | 81.5 | Confident | 82.5 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -70.3 | -44.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F723 T830 L831 N835 K836 L837 | F723-G833 WeakPolarHBondContact CD2-O 3.44Å; T830-G833 PolarHBondContact O-N 2.96Å; L831-G833 VanDerWaalsContact C-N 3.31Å; L831-G833 PolarHBondContact O-N 3.01Å; G833-N835 PolarHBondContact O-N 2.82Å; G833-K836 PolarHBondContact O-N 3.47Å; G833-L837 PolarHBondContact O-N 3.42Å |
| 834 | L | 87.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.5 | -46.4 | 177.8 | -75.1 | 172.4 | 0 | 0 | 0 | 112 | L579 L803 T830 L831 K836 L837 F838 | L579-L834 HydrophobicContact CD1-CD1 4.3Å; L579-L834 HydrophobicContact CD2-CD1 4.18Å; L803-L834 HydrophobicContact CD1-CD2 3.61Å; L803-L834 HydrophobicContact CD1-CG 4.32Å; T830-L834 HydrophobicContact CG2-CD1 4.21Å; T830-L834 PolarHBondContact O-N 3.35Å; T830-L834 VanDerWaalsContact O-N 3.15Å; L831-L834 PolarHBondContact O-N 3.21Å; L834-K836 VanDerWaalsContact C-N 3.27Å; L834-K836 PolarHBondContact O-N 3.2Å; L834-L837 PolarHBondContact O-N 2.75Å; L834-L837 VanDerWaalsContact O-N 3.15Å; L834-F838 HydrophobicContact CB-CE2 4.03Å; L834-F838 HydrophobicContact CD2-CZ 4.36Å; L834-F838 WeakPolarHBondContact O-CD2 3.03Å; L834-F838 WeakPolarHBondContact O-CG 3.3Å; L834-F838 PolarHBondContact O-N 3.05Å |
| 835 | N | 86.1 | Confident | 82.6 | Confident | 55 Ų | 55 | 23.5 Ų | 23.5 | 29% | 0.294 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -62.3 | -33.4 | -179.1 | -71.8 | -0.6 | 0 | 0 | 0 | 112.6 | L831 G833 S839 | L831-N835 PolarHBondContact O-N 3Å; G833-N835 PolarHBondContact O-N 2.82Å; N835-S839 PolarHBondContact O-N 3.19Å |
| 836 | K | 82 | Confident | 83 | Confident | 99 Ų | 99 | 20.4 Ų | 20.4 | 43% | 0.43 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -73.2 | -41.6 | 172.7 | -71.9 | -57.6 | -170.9 | -175.6 | 0 | 113.1 | G722 T726 G833 L834 F838 S839 S840 | G722-K836 WeakPolarHBondContact O-CB 3.37Å; T726-K836 HydrophobicContact CG2-CD 4.35Å; T726-K836 HydrophobicContact CG2-CG 3.71Å; G833-K836 PolarHBondContact O-N 3.47Å; L834-K836 VanDerWaalsContact C-N 3.27Å; L834-K836 PolarHBondContact O-N 3.2Å; K836-F838 VanDerWaalsContact C-N 3.35Å; K836-F838 PolarHBondContact O-N 3.37Å; K836-S839 WeakPolarHBondContact O-CB 3.17Å; K836-S839 PolarHBondContact O-N 3.15Å; K836-S840 PolarHBondContact O-N 2.96Å; K836-S840 PolarHBondContact O-OG 3.14Å |
| 837 | L | 86.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.1 | -46.8 | 174.9 | 177.4 | 60.9 | 0 | 0 | 0 | 111.4 | I668 L697 L719 F723 G833 L834 S839 S840 V841 | I668-L837 HydrophobicContact CD1-CD2 3.89Å; L697-L837 HydrophobicContact CD1-CD2 4.39Å; L697-L837 HydrophobicContact CD2-CD1 4.4Å; L719-L837 HydrophobicContact CB-CD1 4.12Å; L719-L837 HydrophobicContact CD2-CD1 4.39Å; F723-L837 HydrophobicContact CB-CB 4.42Å; F723-L837 HydrophobicContact CD2-CB 4.09Å; F723-L837 HydrophobicContact CD2-CD2 4.4Å; G833-L837 PolarHBondContact O-N 3.42Å; L834-L837 PolarHBondContact O-N 2.75Å; L834-L837 VanDerWaalsContact O-N 3.15Å; L837-S839 VanDerWaalsContact C-N 3.32Å; L837-S839 PolarHBondContact O-N 2.79Å; L837-S840 PolarHBondContact O-N 2.92Å; L837-V841 WeakPolarHBondContact O-CG2 3.27Å; L837-V841 PolarHBondContact O-N 3.05Å |
| 838 | F | 88.8 | Confident | 83 | Confident | 9 Ų | 9 | 20.4 Ų | 20.4 | 4% | 0.039 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.9 | -37.4 | 176.3 | -63.7 | -41.3 | 0 | 0 | 0 | 112.9 | I559 I561 L597 I668 L834 K836 V841 R842 | I559-F838 HydrophobicContact CD1-CD1 4.19Å; I559-F838 HydrophobicContact CD1-CE1 4.39Å; I561-F838 HydrophobicContact CD1-CE1 4.42Å; I561-F838 HydrophobicContact CD1-CZ 3.95Å; L597-F838 HydrophobicContact CD1-CB 3.84Å; L597-F838 HydrophobicContact CD1-CD1 4.32Å; L597-F838 HydrophobicContact CD1-CD2 4.4Å; L597-F838 HydrophobicContact CD1-CG 3.96Å; L597-F838 HydrophobicContact CD2-CD2 3.8Å; L597-F838 HydrophobicContact CD2-CE2 4.19Å; L597-F838 HydrophobicContact CD2-CG 4.21Å; I668-F838 HydrophobicContact CD1-CE1 4.32Å; L834-F838 HydrophobicContact CB-CE2 4.03Å; L834-F838 HydrophobicContact CD2-CZ 4.36Å; L834-F838 WeakPolarHBondContact O-CD2 3.03Å; L834-F838 WeakPolarHBondContact O-CG 3.3Å; L834-F838 PolarHBondContact O-N 3.05Å; K836-F838 VanDerWaalsContact C-N 3.35Å; K836-F838 PolarHBondContact O-N 3.37Å; F838-V841 PolarHBondContact O-N 3.45Å; F838-R842 PolarHBondContact O-N 2.88Å |
| 839 | S | 82.8 | Confident | 82.9 | Confident | 32 Ų | 32 | 20 Ų | 20 | 22% | 0.224 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.8 | -40.6 | 174.2 | -167.9 | 0 | 0 | 0 | 0 | 112.4 | N835 K836 L837 R842 N843 | N835-S839 PolarHBondContact O-N 3.19Å; K836-S839 WeakPolarHBondContact O-CB 3.17Å; K836-S839 PolarHBondContact O-N 3.15Å; L837-S839 VanDerWaalsContact C-N 3.32Å; L837-S839 PolarHBondContact O-N 2.79Å; S839-R842 PolarHBondContact O-N 2.78Å; S839-R842 PolarHBondContact OG-NH2 2.7Å; S839-N843 PolarHBondContact O-N 2.86Å; S839-N843 PolarHBondContact O-OD1 3.23Å |
| 840 | S | 82.1 | Confident | 83.2 | Confident | 18 Ų | 18 | 17.3 Ų | 17.3 | 13% | 0.126 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -67.1 | -38.1 | 175.8 | -63 | 0 | 0 | 0 | 0 | 112.5 | K836 L837 L844 | K836-S840 PolarHBondContact O-N 2.96Å; K836-S840 PolarHBondContact O-OG 3.14Å; L837-S840 PolarHBondContact O-N 2.92Å; S840-L844 WeakPolarHBondContact O-CG 3.48Å; S840-L844 PolarHBondContact O-N 2.92Å |
| 841 | V | 86.1 | Confident | 83 | Confident | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.5 | -44.4 | 174.6 | 173 | 0 | 0 | 0 | 0 | 111.4 | I557 I559 L666 L719 L837 F838 | I557-V841 HydrophobicContact CB-CG1 4.34Å; I557-V841 HydrophobicContact CG2-CG1 3.62Å; I559-V841 HydrophobicContact CD1-CG1 4.09Å; L666-V841 HydrophobicContact CD2-CG2 3.67Å; L719-V841 HydrophobicContact CD2-CB 4.42Å; L719-V841 HydrophobicContact CD2-CG2 3.6Å; L837-V841 WeakPolarHBondContact O-CG2 3.27Å; L837-V841 PolarHBondContact O-N 3.05Å; F838-V841 PolarHBondContact O-N 3.45Å |
| 842 | R | 81.5 | Confident | 82 | Confident | 27 Ų | 27 | 17.1 Ų | 17.1 | 10% | 0.102 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63 | -50.9 | 177.5 | -178.8 | -170.6 | 66.1 | -125.5 | -13.1 | 111.8 | T600 F838 S839 L844 S845 F957 | T600-R842 HydrophobicContact CG2-CG 3.94Å; F838-R842 PolarHBondContact O-N 2.88Å; S839-R842 PolarHBondContact O-N 2.78Å; S839-R842 PolarHBondContact OG-NH2 2.7Å; R842-L844 PolarHBondContact O-N 2.77Å; R842-S845 PolarHBondContact O-N 2.73Å; R842-S845 VanDerWaalsContact O-N 3.16Å; R842-S845 PolarHBondContact O-OG 3.16Å; R842-F957 VanDerWaalsContact CZ-CE1 3.49Å; R842-F957 VanDerWaalsContact NH2-CE1 3.31Å |
| 843 | N | 75.3 | Confident | 81.3 | Confident | 14 Ų | 14 | 15.4 Ų | 15.4 | 8% | 0.075 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.3 | -28.1 | -175 | -70.7 | 19.4 | 0 | 0 | 0 | 112.1 | S839 S845 V954 N958 | S839-N843 PolarHBondContact O-N 2.86Å; S839-N843 PolarHBondContact O-OD1 3.23Å; N843-S845 VanDerWaalsContact C-N 3.34Å; N843-S845 PolarHBondContact O-N 3.48Å; N843-V954 WeakPolarHBondContact CB-O 3.41Å; N843-V954 PolarHBondContact ND2-O 3.05Å; N843-N958 PolarHBondContact O-ND2 2.76Å |
| 844 | L | 78.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 24 | 178.5 | -60.3 | 178.3 | 0 | 0 | 0 | 113.9 | L715 N718 S840 R842 L920 I921 V954 | L715-L844 HydrophobicContact CD1-CB 4.07Å; L715-L844 HydrophobicContact CD1-CD1 3.66Å; L715-L844 HydrophobicContact CD1-CG 4.49Å; N718-L844 HydrophobicContact CB-CD1 3.85Å; S840-L844 WeakPolarHBondContact O-CG 3.48Å; S840-L844 PolarHBondContact O-N 2.92Å; R842-L844 PolarHBondContact O-N 2.77Å; L844-L920 CarbonylContact O-C 3.52Å; L844-L920 VanDerWaalsContact O-CA 3.31Å; L844-L920 WeakPolarHBondContact O-CA 3.48Å; L844-L920 WeakPolarHBondContact O-CD2 3.1Å; L844-I921 PolarHBondContact O-N 3.16Å; L844-V954 HydrophobicContact CD2-CG2 4.37Å |
| 845 | S | 84.1 | Confident | 79.1 | Confident | 10 Ų | 10 | 17.5 Ų | 17.5 | 7% | 0.07 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 144.2 | 177.1 | 69.8 | 0 | 0 | 0 | 0 | 112.7 | R842 N843 E919 | R842-S845 PolarHBondContact O-N 2.73Å; R842-S845 VanDerWaalsContact O-N 3.16Å; R842-S845 PolarHBondContact O-OG 3.16Å; N843-S845 VanDerWaalsContact C-N 3.34Å; N843-S845 PolarHBondContact O-N 3.48Å; S845-E919 WeakPolarHBondContact CA-O 3.4Å |
| 846 | F | 83.7 | Confident | 77.6 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 110.1 | 173 | 174.9 | -123.7 | 0 | 0 | 0 | 109.6 | I879 L881 V908 F917 C918 E919 I921 M928 L950 F952 | F846-I879 HydrophobicContact CE1-CG2 4.4Å; F846-L881 HydrophobicContact CD1-CD1 4.07Å; F846-L881 HydrophobicContact CE1-CD1 3.93Å; F846-V908 HydrophobicContact CD1-CG2 4.4Å; F846-V908 HydrophobicContact CE1-CG2 4.27Å; F846-F917 HydrophobicContact CD1-CD2 4.31Å; F846-F917 AromaticContact CD1-CE2 3.85Å; F846-F917 HydrophobicContact CD1-CE2 3.85Å; F846-F917 HydrophobicContact CD2-CE2 4.34Å; F846-F917 HydrophobicContact CE1-CD2 4.16Å; F846-F917 AromaticContact CE1-CE2 3.46Å; F846-F917 HydrophobicContact CE1-CE2 3.46Å; F846-F917 VanDerWaalsContact CE1-CE2 3.46Å; F846-F917 HydrophobicContact CE1-CZ 4.19Å; F846-F917 HydrophobicContact CE2-CE2 4Å; F846-F917 HydrophobicContact CE2-CZ 4.38Å; F846-F917 HydrophobicContact CG-CE2 4.29Å; F846-F917 AromaticContact CZ-CE2 3.56Å; F846-F917 HydrophobicContact CZ-CE2 3.56Å; F846-F917 AromaticContact CZ-CZ 3.9Å; F846-F917 HydrophobicContact CZ-CZ 3.9Å; F846-C918 CarbonylContact O-C 3.34Å; F846-C918 VanDerWaalsContact O-CA 3.31Å; F846-C918 WeakPolarHBondContact O-CA 3.42Å; F846-E919 PolarHBondContact N-O 3.12Å; F846-E919 PolarHBondContact O-N 3.22Å; F846-I921 HydrophobicContact CB-CD1 3.56Å; F846-I921 HydrophobicContact CB-CG1 4.08Å; F846-I921 HydrophobicContact CD1-CD1 3.84Å; F846-I921 HydrophobicContact CG-CD1 4.01Å; F846-M928 HydrophobicContact CZ-SD 4.01Å; F846-L950 HydrophobicContact CE2-CD1 3.83Å; F846-L950 HydrophobicContact CZ-CD1 3.79Å; F846-F952 HydrophobicContact CB-CE1 3.62Å; F846-F952 HydrophobicContact CB-CZ 3.84Å; F846-F952 HydrophobicContact CD1-CZ 4.46Å; F846-F952 AromaticContact CD2-CE1 3.74Å; F846-F952 HydrophobicContact CD2-CE1 3.74Å; F846-F952 AromaticContact CD2-CZ 3.53Å; F846-F952 HydrophobicContact CD2-CZ 3.53Å; F846-F952 HydrophobicContact CE2-CZ 4.19Å; F846-F952 AromaticContact CG-CE1 3.9Å; F846-F952 HydrophobicContact CG-CE1 3.9Å; F846-F952 AromaticContact CG-CZ 3.68Å; F846-F952 HydrophobicContact CG-CZ 3.68Å |
| 847 | C | 83.8 | Confident | 75.9 | Confident | 5 Ų | 5 | 19 Ų | 19 | 3% | 0.034 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 151.8 | -168.4 | -43.4 | 0 | 0 | 0 | 0 | 111.4 | D555 F917 C918 R960 S961 | D555-C847 VanDerWaalsContact O-CB 3.29Å; D555-C847 WeakPolarHBondContact O-CB 3.26Å; C847-F917 CarbonylContact C-O 3.55Å; C847-F917 WeakPolarHBondContact CA-O 3.38Å; C847-F917 WeakPolarHBondContact CB-O 3.41Å; C847-C918 HydrophobicContact CB-CB 3.52Å; C847-C918 WeakPolarHBondContact CB-SG 3.08Å; C847-C918 WeakPolarHBondContact SG-CA 3.37Å; C847-C918 WeakPolarHBondContact SG-CB 3.34Å; C847-C918 CovalentContact SG-SG 2.03Å; C847-C918 PolarHBondContact SG-SG 3.4Å; C847-R960 VanDerWaalsContact O-CA 3.25Å; C847-R960 WeakPolarHBondContact O-CA 3.45Å; C847-S961 PolarHBondContact O-N 3.47Å |
| 848 | G | 82.7 | Confident | 74.3 | Confident | 5 Ų | 5 | 20.1 Ų | 20.1 | 5% | 0.052 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.9 | -165.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R916 F917 S961 | G848-R916 VanDerWaalsContact O-CA 3.28Å; G848-R916 WeakPolarHBondContact O-CA 3.41Å; G848-F917 PolarHBondContact N-O 3.18Å; G848-F917 WeakPolarHBondContact O-CD1 3.28Å; G848-F917 PolarHBondContact O-N 3.44Å; G848-S961 CarbonylContact C-O 3.51Å; G848-S961 WeakPolarHBondContact CA-O 3.46Å |
| 849 | Q | 80.4 | Confident | 72.5 | Confident | 28 Ų | 28 | 25 Ų | 25 | 13% | 0.131 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 142.4 | 176.7 | -171.2 | 175.3 | -38.7 | 0 | 0 | 112.1 | T914 G915 R916 S961 H962 I963 | Q849-T914 VanDerWaalsContact CD-O 3.31Å; Q849-T914 WeakPolarHBondContact CG-O 3.44Å; Q849-T914 PolarHBondContact NE2-O 2.84Å; Q849-G915 VanDerWaalsContact CA-O 3.3Å; Q849-G915 WeakPolarHBondContact CA-O 3.4Å; Q849-R916 HydrophobicContact CB-CG 4.02Å; Q849-R916 HydrophobicContact CG-CG 3.94Å; Q849-R916 VanDerWaalsContact OE1-CZ 3.32Å; Q849-S961 PolarHBondContact N-O 3.37Å; Q849-H962 WeakPolarHBondContact O-CA 3.18Å; Q849-I963 PolarHBondContact O-N 2.87Å |
| 850 | I | 80 | Confident | 70.9 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 139.3 | 174 | -175.3 | 162.5 | 0 | 0 | 0 | 112.2 | S877 I879 I910 G915 A930 I963 | I850-S877 WeakPolarHBondContact CG2-OG 3.49Å; I850-I879 HydrophobicContact CD1-CG1 4.3Å; I850-I910 HydrophobicContact CG2-CD1 4.35Å; I850-I910 HydrophobicContact CG2-CG2 4.3Å; I850-G915 PolarHBondContact N-O 2.98Å; I850-A930 HydrophobicContact CD1-CB 3.89Å; I850-I963 WeakPolarHBondContact CA-O 3.29Å; I850-I963 HydrophobicContact CB-CB 4.21Å; I850-I963 HydrophobicContact CD1-CB 4.42Å; I850-I963 HydrophobicContact CD1-CG2 4.13Å; I850-I963 HydrophobicContact CG1-CB 4.06Å; I850-I963 HydrophobicContact CG1-CG2 4.13Å |
| 851 | S | 78.5 | Confident | 68.9 | Low | 4 Ų | 4 | 34.7 Ų | 34.7 | 3% | 0.028 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 153.3 | -176.3 | 43.8 | 0 | 0 | 0 | 0 | 114.7 | V872 I963 H964 L965 | S851-V872 CarbonylContact C-O 3.53Å; S851-V872 VanDerWaalsContact CA-O 3.24Å; S851-V872 WeakPolarHBondContact CA-O 3.28Å; S851-V872 WeakPolarHBondContact CB-O 3.47Å; S851-I963 PolarHBondContact N-O 3.38Å; S851-H964 WeakPolarHBondContact O-CA 3.33Å; S851-L965 PolarHBondContact O-N 2.87Å |
| 852 | I | 68.5 | Low | 67 | Low | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 161.6 | 176 | 59.1 | 165 | 0 | 0 | 0 | 112.2 | T858 W871 V872 V874 A932 Y943 L965 | I852-T858 HydrophobicContact CD1-CG2 4.18Å; I852-W871 VanDerWaalsContact C-CZ3 3.49Å; I852-W871 WeakPolarHBondContact O-CA 3.37Å; I852-W871 VanDerWaalsContact O-CE3 3.32Å; I852-V872 HydrophobicContact CG1-CB 4.46Å; I852-V872 WeakPolarHBondContact CG1-O 3.33Å; I852-V872 PolarHBondContact N-O 2.89Å; I852-V872 PolarHBondContact O-N 3.44Å; I852-V874 HydrophobicContact CB-CG2 4.07Å; I852-V874 HydrophobicContact CD1-CG2 3.41Å; I852-V874 VanDerWaalsContact CD1-CG2 3.41Å; I852-V874 HydrophobicContact CG1-CG2 3.39Å; I852-V874 HydrophobicContact CG2-CG2 3.57Å; I852-A932 HydrophobicContact CG2-CB 3.64Å; I852-Y943 HydrophobicContact CB-CD1 3.91Å; I852-Y943 HydrophobicContact CB-CD2 4.41Å; I852-Y943 HydrophobicContact CB-CE1 3.88Å; I852-Y943 HydrophobicContact CB-CE2 4.37Å; I852-Y943 HydrophobicContact CB-CG 4.2Å; I852-Y943 HydrophobicContact CD1-CD2 4.49Å; I852-Y943 HydrophobicContact CD1-CE1 4.12Å; I852-Y943 HydrophobicContact CD1-CE2 3.73Å; I852-Y943 WeakPolarHBondContact CD1-OH 3.16Å; I852-Y943 HydrophobicContact CG1-CE1 4.47Å; I852-Y943 HydrophobicContact CG2-CD1 4.1Å; I852-Y943 HydrophobicContact CG2-CD2 3.94Å; I852-Y943 HydrophobicContact CG2-CE1 4.42Å; I852-Y943 HydrophobicContact CG2-CE2 4.26Å; I852-Y943 HydrophobicContact CG2-CG 3.87Å; I852-L965 HydrophobicContact CG2-CB 4.32Å; I852-L965 HydrophobicContact CG2-CD1 4.29Å |
| 853 | E | 67.1 | Low | 65.2 | Low | 13 Ų | 13 | 43.8 Ų | 43.8 | 6% | 0.061 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 129 | 169.9 | -171.7 | -178.3 | 151 | 0 | 0 | 111.7 | G855 R869 W871 Y943 L965 K966 R967 | E853-G855 PolarHBondContact O-N 3.17Å; E853-R869 HydrophobicContact CG-CB 4.17Å; E853-R869 WeakPolarHBondContact OE1-CD 3.41Å; E853-R869 IonicContact OE1-CZ 2.69Å; E853-R869 IonicContact OE1-NE 3.29Å; E853-R869 IonicContact OE1-NH1 2.67Å; E853-R869 PolarHBondContact OE1-NH1 3.16Å; E853-W871 HydrophobicContact CB-CH2 4.12Å; E853-W871 HydrophobicContact CB-CZ3 4.04Å; E853-W871 VanDerWaalsContact N-CZ3 3.35Å; E853-Y943 VanDerWaalsContact O-CE1 3.23Å; E853-Y943 WeakPolarHBondContact O-CE1 3.3Å; E853-L965 PolarHBondContact N-O 2.82Å; E853-L965 VanDerWaalsContact N-O 3.09Å; E853-K966 VanDerWaalsContact OE2-CA 3.23Å; E853-K966 WeakPolarHBondContact OE2-CA 3.42Å; E853-K966 VanDerWaalsContact OE2-CB 3.31Å; E853-K966 WeakPolarHBondContact OE2-CB 3.34Å; E853-R967 PolarHBondContact OE2-N 3.07Å |
| 854 | S | 62.4 | Low | 63.5 | Low | 33 Ų | 33 | 52.6 Ų | 52.6 | 23% | 0.231 | 29% | 0.294 | C | S | . | . | trans | -65.5 | 121 | -174.5 | 64.9 | 0 | 0 | 0 | 0 | 113.1 | H870 | S854-H870 WeakPolarHBondContact CB-O 3.5Å; S854-H870 PolarHBondContact N-O 3.25Å; S854-H870 PolarHBondContact OG-N 3.05Å; S854-H870 PolarHBondContact OG-O 2.82Å | ||
| 855 | G | 59.2 | Low | 61.8 | Low | 11 Ų | 11 | 60.6 Ų | 60.6 | 11% | 0.113 | 34% | 0.336 | C | S | . | . | trans | -107.9 | 164.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | E853 L857 T858 | E853-G855 PolarHBondContact O-N 3.17Å; G855-L857 PolarHBondContact O-N 3.17Å; G855-T858 PolarHBondContact O-N 3.16Å; G855-T858 PolarHBondContact O-OG1 2.7Å | ||
| 856 | P | 56.1 | Low | 59.8 | Low | 96 Ų | 96 | 65.3 Ų | 65.3 | 62% | 0.623 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -2.1 | -178.2 | -23.9 | 34.6 | 0 | 0 | 0 | 117 | ||
| 857 | L | 45.5 | Very low | 58.1 | Low | 90 Ų | 90 | 74.7 Ų | 74.7 | 47% | 0.471 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | 0.1 | -179.4 | -64.4 | 172.7 | 0 | 0 | 0 | 112.9 | G855 S937 F939 | G855-L857 PolarHBondContact O-N 3.17Å; L857-S937 VanDerWaalsContact CD1-OG 3.23Å; L857-S937 WeakPolarHBondContact CD1-OG 3.24Å; L857-F939 HydrophobicContact CD1-CD2 3.96Å |
| 858 | T | 53.9 | Low | 56.4 | Low | 22 Ų | 22 | 80.9 Ų | 80.9 | 14% | 0.135 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -58.6 | 139.1 | 167.7 | 54.5 | 0 | 0 | 0 | 0 | 109 | I852 G855 D860 E935 | I852-T858 HydrophobicContact CD1-CG2 4.18Å; G855-T858 PolarHBondContact O-N 3.16Å; G855-T858 PolarHBondContact O-OG1 2.7Å; T858-D860 PolarHBondContact O-N 3.05Å; T858-E935 WeakPolarHBondContact CA-OE1 3.38Å; T858-E935 WeakPolarHBondContact CA-OE2 3.42Å; T858-E935 WeakPolarHBondContact CG2-OE2 3.47Å; T858-E935 PolarHBondContact N-OE2 3.23Å |
| 859 | S | 49.6 | Very low | 55 | Low | 111 Ų | 111 | 88.4 Ų | 88.4 | 78% | 0.776 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -68.2 | -6 | -161.1 | 59.4 | 0 | 0 | 0 | 0 | 116 | L861 | S859-L861 VanDerWaalsContact C-N 3.27Å; S859-L861 PolarHBondContact O-N 3.27Å |
| 860 | D | 49.4 | Very low | 54.4 | Low | 111 Ų | 111 | 92.1 Ų | 92.1 | 59% | 0.594 | 48% | 0.475 | S | S | * | . | trans | -73.2 | 80.6 | 170.8 | -107 | -36 | 0 | 0 | 0 | 111 | T858 V862 | T858-D860 PolarHBondContact O-N 3.05Å; D860-V862 PolarHBondContact O-N 2.89Å | ||
| 861 | L | 40.6 | Very low | 53.9 | Low | 144 Ų | 144 | 96.8 Ų | 96.8 | 75% | 0.754 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 4.7 | -178.1 | -109.8 | 162.8 | 0 | 0 | 0 | 115.4 | S859 | S859-L861 VanDerWaalsContact C-N 3.27Å; S859-L861 PolarHBondContact O-N 3.27Å |
| 862 | V | 46.5 | Very low | 53.6 | Low | 124 Ų | 124 | 98.6 Ų | 98.6 | 75% | 0.752 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -38 | -169.5 | -175.4 | 0 | 0 | 0 | 0 | 112.6 | D860 R864 | D860-V862 PolarHBondContact O-N 2.89Å; V862-R864 PolarHBondContact O-N 3.41Å |
| 863 | T | 43.5 | Very low | 53.8 | Low | 94 Ų | 94 | 100.3 Ų | 100.3 | 58% | 0.577 | 52% | 0.515 | S | S | * | . | trans | -93.7 | 49 | -170.4 | 44.8 | 0 | 0 | 0 | 0 | 113.9 | L865 | T863-L865 PolarHBondContact O-N 2.95Š| ||
| 864 | R | 40.1 | Very low | 53.9 | Low | 200 Ų | 200 | 100.1 Ų | 100.1 | 76% | 0.755 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | 12 | -178.5 | -130.5 | -176.6 | -153.3 | -170.6 | 7.9 | 115.5 | V862 | V862-R864 PolarHBondContact O-N 3.41Š|
| 865 | L | 42.6 | Very low | 54.1 | Low | 167 Ų | 167 | 103.4 Ų | 103.4 | 87% | 0.874 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.1 | 16.6 | -163.9 | -78 | 174.3 | 0 | 0 | 0 | 115.4 | T863 | T863-L865 PolarHBondContact O-N 2.95Š|
| 866 | I | 42.7 | Very low | 54.5 | Low | 110 Ų | 110 | 105.9 Ų | 105.9 | 56% | 0.564 | 55% | 0.55 | S | S | * | * | trans | -132.7 | 125.6 | 175.1 | -51.2 | -180 | 0 | 0 | 0 | 109.1 | H868 | I866-H868 HydrophobicContact CG2-CB 3.98Å; I866-H868 PolarHBondContact O-N 2.99Å; I866-H868 VanDerWaalsContact O-N 3.07Å | ||
| 867 | E | 48 | Very low | 55.4 | Low | 196 Ų | 196 | 102 Ų | 102 | 92% | 0.916 | 53% | 0.525 | S | S | * | . | trans | -76.5 | 13 | -176.1 | -59.7 | -179.7 | 128.5 | 0 | 0 | 113.9 | ||||
| 868 | H | 48 | Very low | 56.8 | Low | 135 Ų | 135 | 102.5 Ų | 102.5 | 63% | 0.625 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -91.3 | 121.6 | -178.8 | -65.2 | -0.7 | 0 | 0 | 0 | 109.9 | I866 H870 | I866-H868 HydrophobicContact CG2-CB 3.98Å; I866-H868 PolarHBondContact O-N 2.99Å; I866-H868 VanDerWaalsContact O-N 3.07Å; H868-H870 PolarHBondContact O-CE1 2.72Å; H868-H870 PolarHBondContact O-N 3.32Å; H868-H870 PolarHBondContact O-ND1 2.91Å |
| 869 | R | 53.4 | Low | 57.9 | Low | 163 Ų | 163 | 101.5 Ų | 101.5 | 62% | 0.615 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -79.2 | 117 | -179.7 | -41.4 | -163 | -161.6 | 176.2 | 4.7 | 109.2 | E853 | E853-R869 HydrophobicContact CG-CB 4.17Å; E853-R869 WeakPolarHBondContact OE1-CD 3.41Å; E853-R869 IonicContact OE1-CZ 2.69Å; E853-R869 IonicContact OE1-NE 3.29Å; E853-R869 IonicContact OE1-NH1 2.67Å; E853-R869 PolarHBondContact OE1-NH1 3.16Å |
| 870 | H | 66.5 | Low | 58.9 | Low | 106 Ų | 106 | 98.1 Ų | 98.1 | 49% | 0.491 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -100.9 | 160.1 | -175.7 | -72.4 | 76.8 | 0 | 0 | 0 | 111.8 | S854 H868 | S854-H870 WeakPolarHBondContact CB-O 3.5Å; S854-H870 PolarHBondContact N-O 3.25Å; S854-H870 PolarHBondContact OG-N 3.05Å; S854-H870 PolarHBondContact OG-O 2.82Å; H868-H870 PolarHBondContact O-CE1 2.72Å; H868-H870 PolarHBondContact O-N 3.32Å; H868-H870 PolarHBondContact O-ND1 2.91Å |
| 871 | W | 69.3 | Low | 59.9 | Low | 100 Ų | 100 | 92.9 Ų | 92.9 | 38% | 0.379 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 118.5 | 176.7 | -70.5 | 105.6 | 0 | 0 | 0 | 110.7 | I852 E853 H964 L965 K966 | I852-W871 VanDerWaalsContact C-CZ3 3.49Å; I852-W871 WeakPolarHBondContact O-CA 3.37Å; I852-W871 VanDerWaalsContact O-CE3 3.32Å; E853-W871 HydrophobicContact CB-CH2 4.12Å; E853-W871 HydrophobicContact CB-CZ3 4.04Å; E853-W871 VanDerWaalsContact N-CZ3 3.35Å; W871-H964 AromaticContact CD1-CE1 3.83Å; W871-H964 AromaticContact CD1-ND1 3.7Å; W871-H964 HydrophobicContact CD2-CB 4.41Å; W871-H964 AromaticContact CD2-CE1 3.83Å; W871-H964 AromaticContact CD2-ND1 3.13Å; W871-H964 AromaticContact CE2-ND1 3.24Å; W871-H964 HydrophobicContact CE3-CB 4.03Å; W871-H964 AromaticContact CE3-CG 3.98Å; W871-H964 AromaticContact CE3-ND1 3.55Å; W871-H964 AromaticContact CG-CE1 3.67Å; W871-H964 AromaticContact CG-ND1 3.48Å; W871-H964 HydrophobicContact CH2-CB 3.77Å; W871-H964 HydrophobicContact CZ2-CB 4.13Å; W871-H964 AromaticContact CZ2-ND1 3.77Å; W871-H964 HydrophobicContact CZ3-CB 3.71Å; W871-H964 AromaticContact NE1-ND1 3.55Å; W871-L965 VanDerWaalsContact CZ3-N 3.33Å; W871-L965 WeakPolarHBondContact CZ3-O 3.44Å; W871-K966 HydrophobicContact CH2-CB 4.42Å; W871-K966 HydrophobicContact CH2-CG 3.69Å; W871-K966 HydrophobicContact CZ2-CG 4.16Å |
| 872 | V | 72.2 | Confident | 61.1 | Low | 42 Ų | 42 | 86.8 Ų | 86.8 | 26% | 0.255 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 135.5 | -168.9 | -171.1 | 0 | 0 | 0 | 0 | 110.7 | S851 I852 | S851-V872 CarbonylContact C-O 3.53Å; S851-V872 VanDerWaalsContact CA-O 3.24Å; S851-V872 WeakPolarHBondContact CA-O 3.28Å; S851-V872 WeakPolarHBondContact CB-O 3.47Å; I852-V872 HydrophobicContact CG1-CB 4.46Å; I852-V872 WeakPolarHBondContact CG1-O 3.33Å; I852-V872 PolarHBondContact N-O 2.89Å; I852-V872 PolarHBondContact O-N 3.44Å |
| 873 | P | 74.1 | Confident | 61.8 | Low | 38 Ų | 38 | 84.2 Ų | 84.2 | 25% | 0.247 | 42% | 0.418 | C | S | . | . | trans | -74.7 | 148.7 | 173.4 | 31.5 | -34.8 | 0 | 0 | 0 | 111.7 | T914 | P873-T914 VanDerWaalsContact CB-C 3.48Š| ||
| 874 | V | 69.1 | Low | 62.5 | Low | 9 Ų | 9 | 81 Ų | 81 | 6% | 0.055 | 40% | 0.401 | C | S | . | . | trans | -121.5 | 131.1 | -176.9 | -158.9 | 0 | 0 | 0 | 0 | 111.4 | I852 S876 S877 A932 | I852-V874 HydrophobicContact CB-CG2 4.07Å; I852-V874 HydrophobicContact CD1-CG2 3.41Å; I852-V874 VanDerWaalsContact CD1-CG2 3.41Å; I852-V874 HydrophobicContact CG1-CG2 3.39Å; I852-V874 HydrophobicContact CG2-CG2 3.57Å; V874-S876 VanDerWaalsContact CG1-OG 3.23Å; V874-S876 WeakPolarHBondContact CG1-OG 3.42Å; V874-S876 PolarHBondContact O-N 3.22Å; V874-S877 VanDerWaalsContact O-CB 3.3Å; V874-S877 WeakPolarHBondContact O-CB 3.47Å; V874-S877 PolarHBondContact O-N 3.25Å; V874-S877 PolarHBondContact O-OG 3.01Å; V874-A932 HydrophobicContact CG2-CB 4.29Å | ||
| 875 | P | 64.9 | Low | 63 | Low | 103 Ų | 103 | 77.4 Ų | 77.4 | 67% | 0.669 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -19.4 | 174.4 | -27.2 | 35.8 | 0 | 0 | 0 | 115.2 | ||
| 876 | S | 69 | Low | 63.6 | Low | 62 Ų | 62 | 72.3 Ų | 72.3 | 43% | 0.434 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 8.7 | 175.7 | 58.7 | 0 | 0 | 0 | 0 | 114.3 | V874 | V874-S876 VanDerWaalsContact CG1-OG 3.23Å; V874-S876 WeakPolarHBondContact CG1-OG 3.42Å; V874-S876 PolarHBondContact O-N 3.22Å |
| 877 | S | 75.1 | Confident | 64 | Low | 14 Ų | 14 | 72.5 Ų | 72.5 | 10% | 0.098 | 36% | 0.363 | C | S | . | . | trans | -68.6 | 134.5 | 174.4 | 69.9 | 0 | 0 | 0 | 0 | 110.8 | I850 V874 | I850-S877 WeakPolarHBondContact CG2-OG 3.49Å; V874-S877 VanDerWaalsContact O-CB 3.3Å; V874-S877 WeakPolarHBondContact O-CB 3.47Å; V874-S877 PolarHBondContact O-N 3.25Å; V874-S877 PolarHBondContact O-OG 3.01Å | ||
| 878 | Q | 74.4 | Confident | 64.1 | Low | 102 Ų | 102 | 68.2 Ų | 68.2 | 48% | 0.477 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 145.2 | 174.5 | 61.8 | 178.8 | 9 | 0 | 0 | 111.4 | A931 | Q878-A931 PolarHBondContact N-O 3.36Å |
| 879 | I | 77.1 | Confident | 64.1 | Low | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 123.9 | 171.3 | -68.1 | 168.3 | 0 | 0 | 0 | 107.3 | F846 I850 V908 I910 F917 M928 I963 | F846-I879 HydrophobicContact CE1-CG2 4.4Å; I850-I879 HydrophobicContact CD1-CG1 4.3Å; I879-V908 HydrophobicContact CG2-CB 4.32Å; I879-V908 HydrophobicContact CG2-CG2 4.14Å; I879-V908 PolarHBondContact O-N 2.78Å; I879-I910 HydrophobicContact CB-CD1 4.11Å; I879-I910 HydrophobicContact CD1-CD1 3.98Å; I879-I910 HydrophobicContact CD1-CG1 4.34Å; I879-I910 HydrophobicContact CG1-CD1 3.88Å; I879-F917 HydrophobicContact CD1-CD1 3.55Å; I879-F917 HydrophobicContact CD1-CE1 3.27Å; I879-F917 HydrophobicContact CD1-CE2 4.44Å; I879-F917 HydrophobicContact CD1-CG 4.25Å; I879-F917 HydrophobicContact CD1-CZ 3.76Å; I879-M928 HydrophobicContact CG2-CG 3.99Å; I879-M928 HydrophobicContact CG2-SD 3.84Å; I879-I963 HydrophobicContact CD1-CD1 3.86Å; I879-I963 HydrophobicContact CG1-CD1 4.31Å |
| 880 | I | 71.4 | Confident | 63.6 | Low | 39 Ų | 39 | 65 Ų | 65 | 20% | 0.2 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 139 | 176.5 | 59.1 | 176.8 | 0 | 0 | 0 | 110 | W905 L906 M928 F929 | I880-W905 HydrophobicContact CB-CB 4.2Å; I880-W905 HydrophobicContact CB-CD2 4.14Å; I880-W905 HydrophobicContact CB-CE3 3.69Å; I880-W905 HydrophobicContact CB-CG 4.37Å; I880-W905 HydrophobicContact CB-CZ3 4.46Å; I880-W905 HydrophobicContact CD1-CD2 3.86Å; I880-W905 HydrophobicContact CD1-CE3 3.83Å; I880-W905 HydrophobicContact CD1-CG 4.36Å; I880-W905 HydrophobicContact CD1-CZ3 4.18Å; I880-W905 HydrophobicContact CG1-CD2 4.19Å; I880-W905 HydrophobicContact CG1-CE3 3.68Å; I880-W905 HydrophobicContact CG1-CZ3 4.02Å; I880-W905 HydrophobicContact CG2-CB 4.5Å; I880-L906 WeakPolarHBondContact CA-O 3.39Å; I880-M928 WeakPolarHBondContact O-CA 3.23Å; I880-F929 HydrophobicContact CD1-CB 4.29Å; I880-F929 HydrophobicContact CG1-CB 3.95Å; I880-F929 PolarHBondContact N-O 2.83Å; I880-F929 PolarHBondContact O-N 3.1Å |
| 881 | L | 69.7 | Low | 62.4 | Low | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 136 | -177 | -62.7 | 169.5 | 0 | 0 | 0 | 111.2 | F846 W905 L906 V908 I921 Y926 M928 L950 | F846-L881 HydrophobicContact CD1-CD1 4.07Å; F846-L881 HydrophobicContact CE1-CD1 3.93Å; L881-W905 VanDerWaalsContact C-CE3 3.47Å; L881-L906 HydrophobicContact CB-CB 4.25Å; L881-L906 HydrophobicContact CD1-CD2 4.11Å; L881-L906 PolarHBondContact N-O 2.73Å; L881-L906 PolarHBondContact O-N 3.09Å; L881-V908 HydrophobicContact CD1-CG2 3.75Å; L881-V908 HydrophobicContact CG-CG2 4.38Å; L881-I921 HydrophobicContact CD1-CD1 3.9Å; L881-Y926 HydrophobicContact CB-CD1 4.48Å; L881-M928 HydrophobicContact CD2-CB 3.67Å; L881-M928 HydrophobicContact CD2-CG 3.75Å; L881-M928 HydrophobicContact CD2-SD 4.47Å; L881-L950 HydrophobicContact CD2-CD1 3.73Å |
| 882 | Q | 65.5 | Low | 61.1 | Low | 15 Ų | 15 | 62.7 Ų | 62.7 | 7% | 0.07 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 138.4 | 174.2 | 179 | 175.4 | 48 | 0 | 0 | 110.7 | A884 H886 W905 Y926 L927 | Q882-A884 PolarHBondContact O-N 2.78Å; Q882-H886 HydrophobicContact CG-CB 4.43Å; Q882-H886 PolarHBondContact NE2-CD2 2.92Å; Q882-W905 HydrophobicContact CB-CD2 4.04Å; Q882-W905 HydrophobicContact CB-CE3 3.52Å; Q882-W905 HydrophobicContact CB-CH2 3.72Å; Q882-W905 HydrophobicContact CB-CZ2 4.24Å; Q882-W905 HydrophobicContact CB-CZ3 3.35Å; Q882-Y926 CarbonylContact O-C 3.53Å; Q882-Y926 VanDerWaalsContact O-CA 3.24Å; Q882-Y926 WeakPolarHBondContact O-CA 3.29Å; Q882-L927 PolarHBondContact N-O 3.4Å; Q882-L927 VanDerWaalsContact N-O 3.12Å; Q882-L927 PolarHBondContact O-N 2.96Å |
| 883 | P | 62.4 | Low | 59.6 | Low | 70 Ų | 70 | 65.8 Ų | 65.8 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 129 | 175.9 | -25.9 | 35.2 | 0 | 0 | 0 | 113 | M885 H886 T925 Y926 | P883-M885 VanDerWaalsContact C-N 3.34Å; P883-M885 PolarHBondContact O-N 2.87Å; P883-H886 WeakPolarHBondContact O-CB 3.46Å; P883-H886 PolarHBondContact O-N 2.71Å; P883-T925 WeakPolarHBondContact CA-O 3.3Å; P883-Y926 HydrophobicContact CG-CD1 4.1Å; P883-Y926 HydrophobicContact CG-CE1 3.93Å |
| 884 | A | 57.2 | Low | 58 | Low | 27 Ų | 27 | 65.4 Ų | 65.4 | 22% | 0.223 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -35.4 | -165.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q882 H886 T925 L927 | Q882-A884 PolarHBondContact O-N 2.78Å; A884-H886 PolarHBondContact O-N 3.03Å; A884-T925 HydrophobicContact CB-CG2 4.11Å; A884-T925 PolarHBondContact N-O 2.87Å; A884-L927 HydrophobicContact CB-CD1 4.38Å; A884-L927 HydrophobicContact CB-CG 4.04Å |
| 885 | M | 51.5 | Low | 56.8 | Low | 125 Ų | 125 | 73.3 Ų | 73.3 | 62% | 0.616 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -1 | -176.8 | -66.6 | -65.2 | -78.6 | 0 | 0 | 114.9 | P883 F887 F888 | P883-M885 VanDerWaalsContact C-N 3.34Å; P883-M885 PolarHBondContact O-N 2.87Å; M885-F887 VanDerWaalsContact C-N 3.34Å; M885-F887 PolarHBondContact O-N 3.41Å; M885-F888 HydrophobicContact SD-CD2 4.41Å |
| 886 | H | 53.8 | Low | 55.6 | Low | 59 Ų | 59 | 72 Ų | 72 | 27% | 0.273 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.3 | -27.7 | -176.1 | -167.9 | 71.5 | 0 | 0 | 0 | 113.8 | Q882 P883 A884 Q889 Q890 | Q882-H886 HydrophobicContact CG-CB 4.43Å; Q882-H886 PolarHBondContact NE2-CD2 2.92Å; P883-H886 WeakPolarHBondContact O-CB 3.46Å; P883-H886 PolarHBondContact O-N 2.71Å; A884-H886 PolarHBondContact O-N 3.03Å; H886-Q889 PolarHBondContact O-N 3.19Å; H886-Q890 PolarHBondContact CD2-NE2 3.06Å; H886-Q890 PolarHBondContact NE2-NE2 3.39Å |
| 887 | F | 52.5 | Low | 54.4 | Low | 115 Ų | 115 | 73.9 Ų | 73.9 | 50% | 0.504 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.5 | -47.7 | -178.2 | -79.2 | -88 | 0 | 0 | 0 | 113.3 | M885 Q889 Q890 S891 L927 | M885-F887 VanDerWaalsContact C-N 3.34Å; M885-F887 PolarHBondContact O-N 3.41Å; F887-Q889 PolarHBondContact O-N 2.77Å; F887-Q889 VanDerWaalsContact O-N 3.16Å; F887-Q890 PolarHBondContact O-N 3.39Å; F887-S891 PolarHBondContact O-N 2.79Å; F887-L927 HydrophobicContact CD2-CD1 3.93Å; F887-L927 HydrophobicContact CE2-CD1 3.6Å |
| 888 | F | 49 | Very low | 52.9 | Low | 106 Ų | 106 | 76.9 Ų | 76.9 | 47% | 0.465 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.6 | -20.7 | 179.1 | -59.9 | -75.9 | 0 | 0 | 0 | 113.5 | M885 Q890 S891 I1469 | M885-F888 HydrophobicContact SD-CD2 4.41Å; F888-Q890 VanDerWaalsContact C-N 3.33Å; F888-S891 PolarHBondContact O-OG 3.24Å; F888-I1469 HydrophobicContact CE2-CD1 4.02Å; F888-I1469 HydrophobicContact CZ-CD1 4.12Å |
| 889 | Q | 47.3 | Very low | 51.3 | Low | 124 Ų | 124 | 76.6 Ų | 76.6 | 58% | 0.579 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -78.8 | -18 | 175.1 | -63.6 | -179.3 | -13.8 | 0 | 0 | 112.8 | H886 F887 | H886-Q889 PolarHBondContact O-N 3.19Å; F887-Q889 PolarHBondContact O-N 2.77Å; F887-Q889 VanDerWaalsContact O-N 3.16Å |
| 890 | Q | 43.1 | Very low | 49.6 | Very low | 106 Ų | 106 | 84.2 Ų | 84.2 | 50% | 0.495 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -90 | -36.1 | 176.8 | -64.1 | -167.3 | 10 | 0 | 0 | 112.8 | H886 F887 F888 N892 K893 | H886-Q890 PolarHBondContact CD2-NE2 3.06Å; H886-Q890 PolarHBondContact NE2-NE2 3.39Å; F887-Q890 PolarHBondContact O-N 3.39Å; F888-Q890 VanDerWaalsContact C-N 3.33Å; Q890-N892 PolarHBondContact O-N 3.22Å; Q890-K893 PolarHBondContact O-N 3.1Å |
| 891 | S | 42.6 | Very low | 48.2 | Very low | 83 Ų | 83 | 86.8 Ų | 86.8 | 58% | 0.58 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.5 | -34 | 179.8 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | F887 F888 | F887-S891 PolarHBondContact O-N 2.79Å; F888-S891 PolarHBondContact O-OG 3.24Å |
| 892 | N | 42.3 | Very low | 47 | Very low | 75 Ų | 75 | 91 Ų | 91 | 40% | 0.401 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -11.4 | -176.6 | -62.2 | 14.3 | 0 | 0 | 0 | 112.8 | Q890 S894 I1610 | Q890-N892 PolarHBondContact O-N 3.22Å; N892-S894 PolarHBondContact O-N 2.87Å; N892-I1610 HydrophobicContact CB-CD1 4.21Å; N892-I1610 HydrophobicContact CB-CG1 4.34Å; N892-I1610 PolarHBondContact O-N 3.46Å |
| 893 | K | 39.1 | Very low | 46.2 | Very low | 106 Ų | 106 | 94 Ų | 94 | 46% | 0.461 | 55% | 0.545 | S | S | . | . | B | Isolated β-bridge | trans | -79.9 | 101.4 | 171.5 | -96.2 | 178.1 | 163.6 | -80.3 | 0 | 108.7 | Q890 E1612 | Q890-K893 PolarHBondContact O-N 3.1Å; K893-E1612 IonicContact NZ-OE1 3.47Å; K893-E1612 PolarHBondContact NZ-OE1 3.39Å; K893-E1612 IonicContact NZ-OE2 2.73Å; K893-E1612 PolarHBondContact NZ-OE2 3.02Å |
| 894 | S | 41.1 | Very low | 45.9 | Very low | 31 Ų | 31 | 96.6 Ų | 96.6 | 22% | 0.217 | 55% | 0.549 | C | S | . | . | trans | -61.3 | 154.8 | 167.3 | 56.3 | 0 | 0 | 0 | 0 | 110.2 | N892 S896 E1609 I1610 | N892-S894 PolarHBondContact O-N 2.87Å; S894-S896 PolarHBondContact O-N 2.92Å; S894-E1609 WeakPolarHBondContact CB-OE1 3.46Å; S894-I1610 PolarHBondContact OG-O 2.88Å | ||
| 895 | N | 44.4 | Very low | 46.1 | Very low | 174 Ų | 174 | 98.8 Ų | 98.8 | 93% | 0.93 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 39.2 | -166.6 | -69 | -78.6 | 0 | 0 | 0 | 114.5 | ||
| 896 | S | 40.3 | Very low | 46.8 | Very low | 76 Ų | 76 | 93.7 Ų | 93.7 | 53% | 0.531 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -47.9 | -178.7 | 63.3 | 0 | 0 | 0 | 0 | 113 | S894 G898 | S894-S896 PolarHBondContact O-N 2.92Å; S896-G898 PolarHBondContact O-N 3.14Å |
| 897 | D | 42.3 | Very low | 47.6 | Very low | 101 Ų | 101 | 95.3 Ų | 95.3 | 54% | 0.54 | 54% | 0.544 | S | S | . | . | trans | -100.1 | 85 | -163.4 | -83.1 | 58.3 | 0 | 0 | 0 | 111.8 | S899 | D897-S899 PolarHBondContact O-N 3.45Š| ||
| 898 | G | 44.4 | Very low | 48.7 | Very low | 78 Ų | 78 | 90.1 Ų | 90.1 | 80% | 0.804 | 52% | 0.522 | S | S | * | . | trans | -64.5 | 30.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | S896 | S896-G898 PolarHBondContact O-N 3.14Š| ||
| 899 | S | 41 | Very low | 50 | Low | 96 Ų | 96 | 90.2 Ų | 90.2 | 67% | 0.671 | 52% | 0.522 | S | S | * | . | trans | -63.3 | 131.9 | 161 | 71.4 | 0 | 0 | 0 | 0 | 109 | D897 S901 | D897-S899 PolarHBondContact O-N 3.45Å; S899-S901 PolarHBondContact O-N 3.31Å | ||
| 900 | N | 40.9 | Very low | 51.6 | Low | 161 Ų | 161 | 85.8 Ų | 85.8 | 86% | 0.861 | 50% | 0.502 | S | S | * | . | trans | -67.7 | 96 | 177.3 | -82.2 | -37.4 | 0 | 0 | 0 | 109.3 | S902 | N900-S902 PolarHBondContact O-N 2.85Š| ||
| 901 | S | 41.6 | Very low | 53.4 | Low | 92 Ų | 92 | 82.2 Ų | 82.2 | 64% | 0.643 | 49% | 0.487 | S | S | * | . | trans | -68.9 | 76.7 | 172.2 | -168.5 | 0 | 0 | 0 | 0 | 110 | S899 S903 | S899-S901 PolarHBondContact O-N 3.31Å; S901-S903 PolarHBondContact O-N 3.24Å | ||
| 902 | S | 44.8 | Very low | 54.9 | Low | 90 Ų | 90 | 81.8 Ų | 81.8 | 63% | 0.629 | 48% | 0.484 | S | S | * | . | trans | -62.1 | 115 | 172.1 | 57.4 | 0 | 0 | 0 | 0 | 108.3 | N900 K904 | N900-S902 PolarHBondContact O-N 2.85Å; S902-K904 PolarHBondContact O-N 3.14Å | ||
| 903 | S | 49.2 | Very low | 56.3 | Low | 80 Ų | 80 | 82.4 Ų | 82.4 | 56% | 0.559 | 49% | 0.494 | S | S | * | . | trans | -62.1 | 110.1 | -172.1 | 46.3 | 0 | 0 | 0 | 0 | 111.5 | S901 W905 | S901-S903 PolarHBondContact O-N 3.24Å; S903-W905 PolarHBondContact O-N 2.88Å | ||
| 904 | K | 55.5 | Low | 58.2 | Low | 124 Ų | 124 | 79.3 Ų | 79.3 | 54% | 0.539 | 48% | 0.484 | S | S | . | . | trans | -77.8 | 64.5 | -174.4 | -61.3 | -173.8 | -174.3 | 178 | 0 | 112.3 | E709 S902 | E709-K904 HydrophobicContact CG-CD 4.21Å; E709-K904 IonicContact OE1-NZ 2.71Å; E709-K904 PolarHBondContact OE1-NZ 3.45Å; S902-K904 PolarHBondContact O-N 3.14Å | ||
| 905 | W | 61.1 | Low | 60 | Low | 73 Ų | 73 | 77.8 Ų | 77.8 | 28% | 0.277 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 133.5 | 173 | -66.8 | 92.9 | 0 | 0 | 0 | 111 | I880 L881 Q882 S903 S907 F929 | I880-W905 HydrophobicContact CB-CB 4.2Å; I880-W905 HydrophobicContact CB-CD2 4.14Å; I880-W905 HydrophobicContact CB-CE3 3.69Å; I880-W905 HydrophobicContact CB-CG 4.37Å; I880-W905 HydrophobicContact CB-CZ3 4.46Å; I880-W905 HydrophobicContact CD1-CD2 3.86Å; I880-W905 HydrophobicContact CD1-CE3 3.83Å; I880-W905 HydrophobicContact CD1-CG 4.36Å; I880-W905 HydrophobicContact CD1-CZ3 4.18Å; I880-W905 HydrophobicContact CG1-CD2 4.19Å; I880-W905 HydrophobicContact CG1-CE3 3.68Å; I880-W905 HydrophobicContact CG1-CZ3 4.02Å; I880-W905 HydrophobicContact CG2-CB 4.5Å; L881-W905 VanDerWaalsContact C-CE3 3.47Å; Q882-W905 HydrophobicContact CB-CD2 4.04Å; Q882-W905 HydrophobicContact CB-CE3 3.52Å; Q882-W905 HydrophobicContact CB-CH2 3.72Å; Q882-W905 HydrophobicContact CB-CZ2 4.24Å; Q882-W905 HydrophobicContact CB-CZ3 3.35Å; S903-W905 PolarHBondContact O-N 2.88Å; W905-S907 PolarHBondContact O-N 2.89Å; W905-F929 AromaticContact CH2-CD2 3.54Å; W905-F929 HydrophobicContact CH2-CD2 3.54Å; W905-F929 AromaticContact CH2-CE2 3.64Å; W905-F929 HydrophobicContact CH2-CE2 3.64Å; W905-F929 AromaticContact CZ3-CD2 3.72Å; W905-F929 HydrophobicContact CZ3-CD2 3.72Å; W905-F929 HydrophobicContact CZ3-CE2 4.16Å |
| 906 | L | 67.1 | Low | 61.9 | Low | 18 Ų | 18 | 71 Ų | 71 | 9% | 0.094 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 118 | 163.3 | 172.3 | 66.8 | 0 | 0 | 0 | 108.3 | K708 I710 I880 L881 I921 | K708-L906 HydrophobicContact CD-CD1 4.05Å; I710-L906 HydrophobicContact CD1-CB 4.4Å; I710-L906 HydrophobicContact CD1-CD2 3.79Å; I710-L906 HydrophobicContact CD1-CG 4.47Å; I880-L906 WeakPolarHBondContact CA-O 3.39Å; L881-L906 HydrophobicContact CB-CB 4.25Å; L881-L906 HydrophobicContact CD1-CD2 4.11Å; L881-L906 PolarHBondContact N-O 2.73Å; L881-L906 PolarHBondContact O-N 3.09Å; L906-I921 HydrophobicContact CD2-CD1 4.24Å |
| 907 | S | 69.5 | Low | 64.1 | Low | 92 Ų | 92 | 67.4 Ų | 67.4 | 64% | 0.643 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 128.6 | 169.7 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | W905 | W905-S907 PolarHBondContact O-N 2.89Å |
| 908 | V | 76.8 | Confident | 66.2 | Low | 6 Ų | 6 | 63.1 Ų | 63.1 | 4% | 0.036 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -95.1 | 135.6 | 179.2 | -176.2 | 0 | 0 | 0 | 0 | 109.8 | F846 I879 L881 I910 F917 E919 | F846-V908 HydrophobicContact CD1-CG2 4.4Å; F846-V908 HydrophobicContact CE1-CG2 4.27Å; I879-V908 HydrophobicContact CG2-CB 4.32Å; I879-V908 HydrophobicContact CG2-CG2 4.14Å; I879-V908 PolarHBondContact O-N 2.78Å; L881-V908 HydrophobicContact CD1-CG2 3.75Å; L881-V908 HydrophobicContact CG-CG2 4.38Å; V908-I910 PolarHBondContact O-N 2.84Å; V908-F917 HydrophobicContact CG1-CB 3.89Å; V908-F917 HydrophobicContact CG1-CD2 3.82Å; V908-F917 HydrophobicContact CG1-CG 4.11Å; V908-E919 HydrophobicContact CG1-CB 4.45Å |
| 909 | K | 75.1 | Confident | 68.2 | Low | 109 Ų | 109 | 61 Ų | 61 | 47% | 0.474 | 36% | 0.356 | S | S | . | . | trans | -75.9 | 105.9 | -178 | -172.5 | -179.9 | -178.9 | -178.3 | 0 | 111.3 | ||||
| 910 | I | 81.1 | Confident | 70.2 | Confident | 31 Ų | 31 | 57.6 Ų | 57.6 | 16% | 0.159 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -94.1 | 138.2 | 176.7 | -57 | 161.5 | 0 | 0 | 0 | 110.1 | I850 I879 V908 S912 F917 | I850-I910 HydrophobicContact CG2-CD1 4.35Å; I850-I910 HydrophobicContact CG2-CG2 4.3Å; I879-I910 HydrophobicContact CB-CD1 4.11Å; I879-I910 HydrophobicContact CD1-CD1 3.98Å; I879-I910 HydrophobicContact CD1-CG1 4.34Å; I879-I910 HydrophobicContact CG1-CD1 3.88Å; V908-I910 PolarHBondContact O-N 2.84Å; I910-S912 PolarHBondContact O-N 3.45Å; I910-F917 HydrophobicContact CG1-CB 4.13Å; I910-F917 HydrophobicContact CG1-CD1 4.45Å |
| 911 | N | 81.2 | Confident | 72 | Confident | 31 Ų | 31 | 50 Ų | 50 | 17% | 0.166 | 29% | 0.29 | C | S | . | . | trans | -74.6 | 114.5 | 167.3 | -177.7 | -53.7 | 0 | 0 | 0 | 109.8 | F554 S913 T914 G915 R916 | F554-N911 HydrophobicContact CB-CB 4.05Å; F554-N911 HydrophobicContact CD1-CB 4.13Å; F554-N911 HydrophobicContact CD2-CB 4.21Å; F554-N911 VanDerWaalsContact CD2-ND2 3.27Å; F554-N911 WeakPolarHBondContact CD2-ND2 3.47Å; F554-N911 WeakPolarHBondContact CE2-ND2 3.49Å; F554-N911 HydrophobicContact CG-CB 3.86Å; N911-S913 PolarHBondContact O-N 3.3Å; N911-S913 VanDerWaalsContact O-N 3.15Å; N911-S913 PolarHBondContact OD1-N 2.73Å; N911-S913 PolarHBondContact OD1-OG 2.8Å; N911-T914 PolarHBondContact O-N 2.62Å; N911-T914 PolarHBondContact OD1-N 2.95Å; N911-G915 WeakPolarHBondContact O-CA 3.47Å; N911-G915 PolarHBondContact O-N 2.95Å; N911-R916 WeakPolarHBondContact CB-O 3.13Å; N911-R916 PolarHBondContact N-O 3.48Å | ||
| 912 | S | 74.3 | Confident | 73.4 | Confident | 74 Ų | 74 | 46.3 Ų | 46.3 | 52% | 0.517 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -15.4 | -175.2 | 53.1 | 0 | 0 | 0 | 0 | 115.6 | I910 | I910-S912 PolarHBondContact O-N 3.45Š|
| 913 | S | 72.4 | Confident | 74.4 | Confident | 88 Ų | 88 | 44.8 Ų | 44.8 | 62% | 0.615 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -23 | 178.6 | 67.5 | 0 | 0 | 0 | 0 | 114.1 | N911 | N911-S913 PolarHBondContact O-N 3.3Å; N911-S913 VanDerWaalsContact O-N 3.15Å; N911-S913 PolarHBondContact OD1-N 2.73Å; N911-S913 PolarHBondContact OD1-OG 2.8Å |
| 914 | T | 78 | Confident | 74.9 | Confident | 40 Ų | 40 | 42 Ų | 42 | 25% | 0.245 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | -6.2 | -177.7 | 72.2 | 0 | 0 | 0 | 0 | 114 | Q849 P873 N911 R916 | Q849-T914 VanDerWaalsContact CD-O 3.31Å; Q849-T914 WeakPolarHBondContact CG-O 3.44Å; Q849-T914 PolarHBondContact NE2-O 2.84Å; P873-T914 VanDerWaalsContact CB-C 3.48Å; N911-T914 PolarHBondContact O-N 2.62Å; N911-T914 PolarHBondContact OD1-N 2.95Å; T914-R916 PolarHBondContact O-N 3.06Å; T914-R916 WeakPolarHBondContact OG1-CB 3.25Å; T914-R916 WeakPolarHBondContact OG1-CG 3.47Å; T914-R916 PolarHBondContact OG1-N 2.91Å |
| 915 | G | 80.2 | Confident | 75.1 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | 65.5 | 12.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q849 I850 N911 | Q849-G915 VanDerWaalsContact CA-O 3.3Å; Q849-G915 WeakPolarHBondContact CA-O 3.4Å; I850-G915 PolarHBondContact N-O 2.98Å; N911-G915 WeakPolarHBondContact O-CA 3.47Å; N911-G915 PolarHBondContact O-N 2.95Å | ||
| 916 | R | 84.1 | Confident | 75.2 | Confident | 31 Ų | 31 | 36.2 Ų | 36.2 | 12% | 0.117 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 144.5 | -172.2 | -69.1 | 173 | -172.2 | 145.7 | 15 | 112.8 | H530 F554 G848 Q849 N911 T914 | H530-R916 VanDerWaalsContact CD2-CZ 3.41Å; H530-R916 PolarHBondContact CD2-NH1 3.04Å; H530-R916 WeakPolarHBondContact NE2-CD 3.24Å; H530-R916 PolarHBondContact NE2-NH1 3.41Å; F554-R916 HydrophobicContact CB-CB 4.2Å; G848-R916 VanDerWaalsContact O-CA 3.28Å; G848-R916 WeakPolarHBondContact O-CA 3.41Å; Q849-R916 HydrophobicContact CB-CG 4.02Å; Q849-R916 HydrophobicContact CG-CG 3.94Å; Q849-R916 VanDerWaalsContact OE1-CZ 3.32Å; N911-R916 WeakPolarHBondContact CB-O 3.13Å; N911-R916 PolarHBondContact N-O 3.48Å; T914-R916 PolarHBondContact O-N 3.06Å; T914-R916 WeakPolarHBondContact OG1-CB 3.25Å; T914-R916 WeakPolarHBondContact OG1-CG 3.47Å; T914-R916 PolarHBondContact OG1-N 2.91Å |
| 917 | F | 86.7 | Confident | 75 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 156.6 | -179.8 | 63.4 | -90.3 | 0 | 0 | 0 | 111.5 | F554 F846 C847 G848 I879 V908 I910 | F554-F917 CarbonylContact O-C 3.54Å; F554-F917 WeakPolarHBondContact O-CA 3.38Å; F846-F917 HydrophobicContact CD1-CD2 4.31Å; F846-F917 AromaticContact CD1-CE2 3.85Å; F846-F917 HydrophobicContact CD1-CE2 3.85Å; F846-F917 HydrophobicContact CD2-CE2 4.34Å; F846-F917 HydrophobicContact CE1-CD2 4.16Å; F846-F917 AromaticContact CE1-CE2 3.46Å; F846-F917 HydrophobicContact CE1-CE2 3.46Å; F846-F917 VanDerWaalsContact CE1-CE2 3.46Å; F846-F917 HydrophobicContact CE1-CZ 4.19Å; F846-F917 HydrophobicContact CE2-CE2 4Å; F846-F917 HydrophobicContact CE2-CZ 4.38Å; F846-F917 HydrophobicContact CG-CE2 4.29Å; F846-F917 AromaticContact CZ-CE2 3.56Å; F846-F917 HydrophobicContact CZ-CE2 3.56Å; F846-F917 AromaticContact CZ-CZ 3.9Å; F846-F917 HydrophobicContact CZ-CZ 3.9Å; C847-F917 CarbonylContact C-O 3.55Å; C847-F917 WeakPolarHBondContact CA-O 3.38Å; C847-F917 WeakPolarHBondContact CB-O 3.41Å; G848-F917 PolarHBondContact N-O 3.18Å; G848-F917 WeakPolarHBondContact O-CD1 3.28Å; G848-F917 PolarHBondContact O-N 3.44Å; I879-F917 HydrophobicContact CD1-CD1 3.55Å; I879-F917 HydrophobicContact CD1-CE1 3.27Å; I879-F917 HydrophobicContact CD1-CE2 4.44Å; I879-F917 HydrophobicContact CD1-CG 4.25Å; I879-F917 HydrophobicContact CD1-CZ 3.76Å; V908-F917 HydrophobicContact CG1-CB 3.89Å; V908-F917 HydrophobicContact CG1-CD2 3.82Å; V908-F917 HydrophobicContact CG1-CG 4.11Å; I910-F917 HydrophobicContact CG1-CB 4.13Å; I910-F917 HydrophobicContact CG1-CD1 4.45Å |
| 918 | C | 86.4 | Confident | 75.1 | Confident | 11 Ų | 11 | 33 Ų | 33 | 7% | 0.074 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 131.9 | 173.8 | -162.4 | 0 | 0 | 0 | 0 | 109.6 | F554 D555 K556 I557 F846 C847 | F554-C918 WeakPolarHBondContact O-CB 3.49Å; F554-C918 PolarHBondContact O-N 2.98Å; F554-C918 VanDerWaalsContact O-N 3.08Å; D555-C918 PolarHBondContact O-SG 2.89Å; K556-C918 VanDerWaalsContact CA-SG 3.57Å; I557-C918 PolarHBondContact N-SG 3.47Å; I557-C918 VanDerWaalsContact N-SG 3.43Å; F846-C918 CarbonylContact O-C 3.34Å; F846-C918 VanDerWaalsContact O-CA 3.31Å; F846-C918 WeakPolarHBondContact O-CA 3.42Å; C847-C918 HydrophobicContact CB-CB 3.52Å; C847-C918 WeakPolarHBondContact CB-SG 3.08Å; C847-C918 WeakPolarHBondContact SG-CA 3.37Å; C847-C918 WeakPolarHBondContact SG-CB 3.34Å; C847-C918 CovalentContact SG-SG 2.03Å; C847-C918 PolarHBondContact SG-SG 3.4Å |
| 919 | E | 85.2 | Confident | 74.7 | Confident | 34 Ų | 34 | 36.5 Ų | 36.5 | 16% | 0.159 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 156.7 | -178.1 | -169.4 | 61.3 | -84.1 | 0 | 0 | 110.1 | N796 S845 F846 V908 | N796-E919 PolarHBondContact ND2-OE2 3.28Å; S845-E919 WeakPolarHBondContact CA-O 3.4Å; F846-E919 PolarHBondContact N-O 3.12Å; F846-E919 PolarHBondContact O-N 3.22Å; V908-E919 HydrophobicContact CG1-CB 4.45Å |
| 920 | L | 83.7 | Confident | 74.5 | Confident | 24 Ų | 24 | 31.5 Ų | 31.5 | 13% | 0.126 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 128.9 | 174.2 | -68.2 | 173.9 | 0 | 0 | 0 | 111.3 | I557 L715 L844 | I557-L920 HydrophobicContact CD1-CD2 3.58Å; I557-L920 HydrophobicContact CD1-CG 3.84Å; I557-L920 HydrophobicContact CG1-CD2 4.08Å; L715-L920 HydrophobicContact CD2-CB 3.8Å; L715-L920 HydrophobicContact CD2-CD1 4.3Å; L844-L920 CarbonylContact O-C 3.52Å; L844-L920 VanDerWaalsContact O-CA 3.31Å; L844-L920 WeakPolarHBondContact O-CA 3.48Å; L844-L920 WeakPolarHBondContact O-CD2 3.1Å |
| 921 | I | 78.2 | Confident | 73.9 | Confident | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | trans | -133.3 | 131.3 | -175.4 | -50.2 | -172.1 | 0 | 0 | 0 | 109.9 | L844 F846 L881 L906 Y926 F952 | L844-I921 PolarHBondContact O-N 3.16Å; F846-I921 HydrophobicContact CB-CD1 3.56Å; F846-I921 HydrophobicContact CB-CG1 4.08Å; F846-I921 HydrophobicContact CD1-CD1 3.84Å; F846-I921 HydrophobicContact CG-CD1 4.01Å; L881-I921 HydrophobicContact CD1-CD1 3.9Å; L906-I921 HydrophobicContact CD2-CD1 4.24Å; I921-Y926 HydrophobicContact CG2-CE2 4.25Å; I921-F952 HydrophobicContact CD1-CZ 4.38Å | ||
| 922 | P | 71.8 | Confident | 73.3 | Confident | 15 Ų | 15 | 29.9 Ų | 29.9 | 10% | 0.097 | 18% | 0.182 | C | C | . | . | trans | -72 | 162.5 | 173.5 | 31.3 | -35 | 0 | 0 | 0 | 112.1 | I710 | I710-P922 VanDerWaalsContact CG2-CD 3.41Å; I710-P922 HydrophobicContact CG2-CG 3.42Å; I710-P922 VanDerWaalsContact CG2-CG 3.42Å | ||
| 923 | P | 65.5 | Low | 72.6 | Confident | 58 Ų | 58 | 27.9 Ų | 27.9 | 38% | 0.377 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -63 | 137.5 | -175.4 | 26.9 | -37.6 | 0 | 0 | 0 | 113.7 | F952 V954 | P923-F952 CarbonylContact C-O 3.12Å; P923-F952 WeakPolarHBondContact CA-O 3.46Å; P923-F952 VanDerWaalsContact CB-O 3.29Å; P923-F952 WeakPolarHBondContact CB-O 3.45Å; P923-V954 HydrophobicContact CB-CG2 4.2Å; P923-V954 HydrophobicContact CG-CG2 3.81Å |
| 924 | G | 59.9 | Low | 71.8 | Confident | 22 Ų | 22 | 27.8 Ų | 27.8 | 23% | 0.227 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.6 | 169.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y926 F952 | G924-Y926 VanDerWaalsContact C-CE2 3.48Å; G924-Y926 WeakPolarHBondContact O-CD2 3.35Å; G924-Y926 WeakPolarHBondContact O-CE2 3.4Å; G924-F952 PolarHBondContact N-O 3.13Å; G924-F952 PolarHBondContact O-N 2.7Å |
| 925 | T | 59 | Low | 70.5 | Confident | 53 Ų | 53 | 28.3 Ų | 28.3 | 33% | 0.325 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 129.5 | -178.6 | -51.8 | 0 | 0 | 0 | 0 | 111.4 | P883 A884 L950 S951 L1470 | P883-T925 WeakPolarHBondContact CA-O 3.3Å; A884-T925 HydrophobicContact CB-CG2 4.11Å; A884-T925 PolarHBondContact N-O 2.87Å; T925-L950 CarbonylContact C-O 3.48Å; T925-L950 WeakPolarHBondContact CA-O 3.18Å; T925-L950 WeakPolarHBondContact CG2-O 3.08Å; T925-S951 PolarHBondContact OG1-OG 2.92Å; T925-L1470 HydrophobicContact CG2-CD1 3.42Å; T925-L1470 VanDerWaalsContact CG2-CD1 3.42Å |
| 926 | Y | 64.3 | Low | 68.9 | Low | 21 Ų | 21 | 37.3 Ų | 37.3 | 8% | 0.082 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 143.1 | -171.3 | -57.4 | -98.8 | 0 | 0 | 0 | 111.3 | L881 Q882 P883 I921 G924 L950 F952 | L881-Y926 HydrophobicContact CB-CD1 4.48Å; Q882-Y926 CarbonylContact O-C 3.53Å; Q882-Y926 VanDerWaalsContact O-CA 3.24Å; Q882-Y926 WeakPolarHBondContact O-CA 3.29Å; P883-Y926 HydrophobicContact CG-CD1 4.1Å; P883-Y926 HydrophobicContact CG-CE1 3.93Å; I921-Y926 HydrophobicContact CG2-CE2 4.25Å; G924-Y926 VanDerWaalsContact C-CE2 3.48Å; G924-Y926 WeakPolarHBondContact O-CD2 3.35Å; G924-Y926 WeakPolarHBondContact O-CE2 3.4Å; Y926-L950 PolarHBondContact N-O 3.03Å; Y926-L950 PolarHBondContact O-N 3.16Å; Y926-F952 AromaticContact CD2-CD2 3.66Å; Y926-F952 HydrophobicContact CD2-CD2 3.66Å; Y926-F952 AromaticContact CD2-CE2 3.88Å; Y926-F952 HydrophobicContact CD2-CE2 3.88Å; Y926-F952 AromaticContact CE2-CD2 3.82Å; Y926-F952 HydrophobicContact CE2-CD2 3.82Å; Y926-F952 HydrophobicContact CE2-CE2 4.35Å |
| 927 | L | 61.6 | Low | 67 | Low | 44 Ų | 44 | 37.5 Ų | 37.5 | 23% | 0.23 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 131.2 | 163.1 | -70.4 | 165 | 0 | 0 | 0 | 108.7 | Q882 A884 F887 F929 | Q882-L927 PolarHBondContact N-O 3.4Å; Q882-L927 VanDerWaalsContact N-O 3.12Å; Q882-L927 PolarHBondContact O-N 2.96Å; A884-L927 HydrophobicContact CB-CD1 4.38Å; A884-L927 HydrophobicContact CB-CG 4.04Å; F887-L927 HydrophobicContact CD2-CD1 3.93Å; F887-L927 HydrophobicContact CE2-CD1 3.6Å; L927-F929 HydrophobicContact CB-CE2 4.07Å |
| 928 | M | 72.9 | Confident | 65 | Low | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 134.7 | 175 | -172.8 | -175.7 | 66.5 | 0 | 0 | 110.3 | F846 I879 I880 L881 A930 M948 L950 I963 | F846-M928 HydrophobicContact CZ-SD 4.01Å; I879-M928 HydrophobicContact CG2-CG 3.99Å; I879-M928 HydrophobicContact CG2-SD 3.84Å; I880-M928 WeakPolarHBondContact O-CA 3.23Å; L881-M928 HydrophobicContact CD2-CB 3.67Å; L881-M928 HydrophobicContact CD2-CG 3.75Å; L881-M928 HydrophobicContact CD2-SD 4.47Å; M928-A930 HydrophobicContact CE-CB 4.48Å; M928-M948 HydrophobicContact CE-CB 4.19Å; M928-M948 HydrophobicContact CE-CE 4.42Å; M928-M948 HydrophobicContact CE-CG 4.1Å; M928-M948 HydrophobicContact CE-SD 3.32Å; M928-M948 WeakPolarHBondContact CE-SD 3.33Å; M928-M948 PolarHBondContact N-O 3.22Å; M928-M948 PolarHBondContact O-N 3.29Å; M928-L950 HydrophobicContact CB-CD1 3.8Å; M928-L950 HydrophobicContact CB-CG 4.12Å; M928-L950 HydrophobicContact CG-CD1 4.29Å; M928-L950 HydrophobicContact SD-CD1 3.92Å; M928-I963 HydrophobicContact CE-CD1 3.55Å; M928-I963 HydrophobicContact CE-CG1 4.18Å; M928-I963 HydrophobicContact SD-CD1 3.92Å |
| 929 | F | 66.4 | Low | 62.9 | Low | 79 Ų | 79 | 50 Ų | 50 | 35% | 0.346 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 125.5 | 168.6 | -67.2 | -93.8 | 0 | 0 | 0 | 109.6 | I880 W905 L927 A947 | I880-F929 HydrophobicContact CD1-CB 4.29Å; I880-F929 HydrophobicContact CG1-CB 3.95Å; I880-F929 PolarHBondContact N-O 2.83Å; I880-F929 PolarHBondContact O-N 3.1Å; W905-F929 AromaticContact CH2-CD2 3.54Å; W905-F929 HydrophobicContact CH2-CD2 3.54Å; W905-F929 AromaticContact CH2-CE2 3.64Å; W905-F929 HydrophobicContact CH2-CE2 3.64Å; W905-F929 AromaticContact CZ3-CD2 3.72Å; W905-F929 HydrophobicContact CZ3-CD2 3.72Å; W905-F929 HydrophobicContact CZ3-CE2 4.16Å; L927-F929 HydrophobicContact CB-CE2 4.07Å; F929-A947 HydrophobicContact CD1-CB 3.87Å; F929-A947 HydrophobicContact CE1-CB 3.65Å; F929-A947 HydrophobicContact CZ-CB 4.35Å |
| 930 | A | 72.6 | Confident | 61 | Low | 3 Ų | 3 | 53.1 Ų | 53.1 | 3% | 0.025 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 126.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110 | I850 M928 V946 I963 | I850-A930 HydrophobicContact CD1-CB 3.89Å; M928-A930 HydrophobicContact CE-CB 4.48Å; A930-V946 PolarHBondContact N-O 3.32Å; A930-V946 VanDerWaalsContact N-O 3.13Å; A930-V946 PolarHBondContact O-N 2.8Å; A930-I963 HydrophobicContact CB-CD1 4.21Å; A930-I963 HydrophobicContact CB-CG2 3.67Å |
| 931 | A | 67.1 | Low | 59.3 | Low | 16 Ų | 16 | 54 Ų | 54 | 13% | 0.132 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 145.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q878 | Q878-A931 PolarHBondContact N-O 3.36Å |
| 932 | A | 69.4 | Low | 58.4 | Low | 13 Ų | 13 | 55.2 Ų | 55.2 | 11% | 0.107 | 32% | 0.322 | C | S | . | . | trans | -106.7 | 136.8 | 158.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | I852 V874 Y943 L965 | I852-A932 HydrophobicContact CG2-CB 3.64Å; V874-A932 HydrophobicContact CG2-CB 4.29Å; A932-Y943 HydrophobicContact CB-CD2 4.46Å; A932-L965 HydrophobicContact CB-CD1 4.13Å | ||
| 933 | G | 59.7 | Low | 57.9 | Low | 31 Ų | 31 | 55.2 Ų | 55.2 | 32% | 0.32 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 160.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E935 | G933-E935 PolarHBondContact O-N 3.27Š|
| 934 | P | 56.1 | Low | 57.5 | Low | 86 Ų | 86 | 56.2 Ų | 56.2 | 56% | 0.558 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 139.9 | 166.8 | 27.7 | -34.2 | 0 | 0 | 0 | 109.3 | ||
| 935 | E | 50.7 | Low | 57.5 | Low | 52 Ų | 52 | 60.1 Ų | 60.1 | 24% | 0.243 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 165.1 | 167 | -57.6 | -176 | 119.5 | 0 | 0 | 109.5 | T858 G933 S937 | T858-E935 WeakPolarHBondContact CA-OE1 3.38Å; T858-E935 WeakPolarHBondContact CA-OE2 3.42Å; T858-E935 WeakPolarHBondContact CG2-OE2 3.47Å; T858-E935 PolarHBondContact N-OE2 3.23Å; G933-E935 PolarHBondContact O-N 3.27Å; E935-S937 PolarHBondContact O-N 3.22Å |
| 936 | N | 46.1 | Very low | 57.6 | Low | 189 Ų | 189 | 59.5 Ų | 59.5 | 100% | 1.011 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -72.7 | 64.8 | 177.3 | -82.6 | -32.1 | 0 | 0 | 0 | 111.4 | ||
| 937 | S | 44.1 | Very low | 57.2 | Low | 34 Ų | 34 | 61 Ų | 61 | 24% | 0.238 | 35% | 0.345 | C | S | . | . | trans | -106.9 | 141.6 | -173 | 160.6 | 0 | 0 | 0 | 0 | 110.1 | L857 E935 F939 | L857-S937 VanDerWaalsContact CD1-OG 3.23Å; L857-S937 WeakPolarHBondContact CD1-OG 3.24Å; E935-S937 PolarHBondContact O-N 3.22Å; S937-F939 PolarHBondContact O-N 2.65Å; S937-F939 PolarHBondContact OG-N 2.68Å; S937-F939 VanDerWaalsContact OG-N 3.07Å; S937-F939 PolarHBondContact OG-O 2.83Å | ||
| 938 | T | 44.1 | Very low | 57.3 | Low | 135 Ų | 135 | 59.9 Ų | 59.9 | 83% | 0.828 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -75.6 | -6.8 | 174.3 | 53.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 939 | F | 41.7 | Very low | 56.4 | Low | 140 Ų | 140 | 60.7 Ų | 60.7 | 61% | 0.614 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -110 | 124 | 172.6 | -59.1 | -90.1 | 0 | 0 | 0 | 108.1 | L857 S937 V941 | L857-F939 HydrophobicContact CD1-CD2 3.96Å; S937-F939 PolarHBondContact O-N 2.65Å; S937-F939 PolarHBondContact OG-N 2.68Å; S937-F939 VanDerWaalsContact OG-N 3.07Å; S937-F939 PolarHBondContact OG-O 2.83Å; F939-V941 HydrophobicContact CB-CG2 4.09Å; F939-V941 PolarHBondContact O-N 3.22Å |
| 940 | D | 45.4 | Very low | 56.2 | Low | 99 Ų | 99 | 57 Ų | 57 | 53% | 0.529 | 33% | 0.329 | S | S | . | . | trans | -71.1 | 54.6 | 179.6 | -75.3 | -55.4 | 0 | 0 | 0 | 112.5 | A942 R1291 | D940-A942 PolarHBondContact O-N 3.25Å; D940-R1291 PolarHBondContact O-NH1 2.79Å | ||
| 941 | V | 49.1 | Very low | 55.5 | Low | 42 Ų | 42 | 58.3 Ų | 58.3 | 26% | 0.255 | 34% | 0.339 | S | S | . | . | trans | -72.5 | 106.3 | 173 | -177.6 | 0 | 0 | 0 | 0 | 107.7 | F939 R967 | F939-V941 HydrophobicContact CB-CG2 4.09Å; F939-V941 PolarHBondContact O-N 3.22Å; V941-R967 HydrophobicContact CG1-CG 4.14Å | ||
| 942 | A | 58.2 | Low | 55.2 | Low | 27 Ų | 27 | 57.7 Ų | 57.7 | 22% | 0.223 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -82.3 | 146 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110 | D940 | D940-A942 PolarHBondContact O-N 3.25Š|
| 943 | Y | 61.3 | Low | 54.7 | Low | 15 Ų | 15 | 61 Ų | 61 | 6% | 0.059 | 35% | 0.346 | C | S | . | . | B | Isolated β-bridge | trans | -84.7 | 154.9 | 159.3 | -66.2 | -70.3 | 0 | 0 | 0 | 109.6 | I852 E853 A932 | I852-Y943 HydrophobicContact CB-CD1 3.91Å; I852-Y943 HydrophobicContact CB-CD2 4.41Å; I852-Y943 HydrophobicContact CB-CE1 3.88Å; I852-Y943 HydrophobicContact CB-CE2 4.37Å; I852-Y943 HydrophobicContact CB-CG 4.2Å; I852-Y943 HydrophobicContact CD1-CD2 4.49Å; I852-Y943 HydrophobicContact CD1-CE1 4.12Å; I852-Y943 HydrophobicContact CD1-CE2 3.73Å; I852-Y943 WeakPolarHBondContact CD1-OH 3.16Å; I852-Y943 HydrophobicContact CG1-CE1 4.47Å; I852-Y943 HydrophobicContact CG2-CD1 4.1Å; I852-Y943 HydrophobicContact CG2-CD2 3.94Å; I852-Y943 HydrophobicContact CG2-CE1 4.42Å; I852-Y943 HydrophobicContact CG2-CE2 4.26Å; I852-Y943 HydrophobicContact CG2-CG 3.87Å; E853-Y943 VanDerWaalsContact O-CE1 3.23Å; E853-Y943 WeakPolarHBondContact O-CE1 3.3Å; A932-Y943 HydrophobicContact CB-CD2 4.46Å |
| 944 | E | 58.6 | Low | 54.4 | Low | 79 Ų | 79 | 61.3 Ų | 61.3 | 37% | 0.369 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 143.9 | 167.2 | -73.3 | 178.7 | 170.2 | 0 | 0 | 110.8 | K966 | E944-K966 HydrophobicContact CG-CB 4.4Å; E944-K966 PolarHBondContact N-O 3.46Å; E944-K966 WeakPolarHBondContact OE2-CB 3.36Å; E944-K966 PolarHBondContact OE2-N 3.1Å |
| 945 | Q | 59.1 | Low | 54.2 | Low | 104 Ų | 104 | 64.1 Ų | 64.1 | 49% | 0.486 | 35% | 0.352 | S | S | . | . | trans | -110 | 125.2 | 175.6 | -65.8 | 176.9 | 14.1 | 0 | 0 | 107.5 | ||||
| 946 | V | 60.6 | Low | 54.2 | Low | 40 Ų | 40 | 68 Ų | 68 | 24% | 0.242 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 127.4 | -174.6 | -173.4 | 0 | 0 | 0 | 0 | 109.7 | A930 M948 L965 | A930-V946 PolarHBondContact N-O 3.32Å; A930-V946 VanDerWaalsContact N-O 3.13Å; A930-V946 PolarHBondContact O-N 2.8Å; V946-M948 HydrophobicContact CB-CE 4.41Å; V946-M948 HydrophobicContact CG1-CE 3.49Å; V946-M948 VanDerWaalsContact CG1-CE 3.49Å; V946-M948 HydrophobicContact CG1-CG 3.97Å; V946-L965 HydrophobicContact CB-CD2 4.07Å; V946-L965 HydrophobicContact CG2-CD2 3.59Å |
| 947 | A | 57.5 | Low | 54.4 | Low | 52 Ų | 52 | 61.8 Ų | 61.8 | 43% | 0.43 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 145.4 | 169 | 0 | 0 | 0 | 0 | 0 | 108.3 | F929 | F929-A947 HydrophobicContact CD1-CB 3.87Å; F929-A947 HydrophobicContact CE1-CB 3.65Å; F929-A947 HydrophobicContact CZ-CB 4.35Å |
| 948 | M | 62.2 | Low | 54.8 | Low | 21 Ų | 21 | 60.9 Ų | 60.9 | 10% | 0.103 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 147.2 | -177.7 | -56.2 | 174.5 | 179.7 | 0 | 0 | 110.1 | M928 V946 I963 L1669 | M928-M948 HydrophobicContact CE-CB 4.19Å; M928-M948 HydrophobicContact CE-CE 4.42Å; M928-M948 HydrophobicContact CE-CG 4.1Å; M928-M948 HydrophobicContact CE-SD 3.32Å; M928-M948 WeakPolarHBondContact CE-SD 3.33Å; M928-M948 PolarHBondContact N-O 3.22Å; M928-M948 PolarHBondContact O-N 3.29Å; V946-M948 HydrophobicContact CB-CE 4.41Å; V946-M948 HydrophobicContact CG1-CE 3.49Å; V946-M948 VanDerWaalsContact CG1-CE 3.49Å; V946-M948 HydrophobicContact CG1-CG 3.97Å; M948-I963 HydrophobicContact CE-CG1 4.42Å; M948-I963 HydrophobicContact CE-CG2 4.25Å; M948-L1669 HydrophobicContact CB-CD2 4.26Å; M948-L1669 HydrophobicContact CE-CD1 4.3Å; M948-L1669 HydrophobicContact CG-CD2 4.19Å; M948-L1669 HydrophobicContact SD-CD1 4.28Å; M948-L1669 HydrophobicContact SD-CD2 3.6Å |
| 949 | A | 55 | Low | 55.3 | Low | 17 Ų | 17 | 55.1 Ų | 55.1 | 14% | 0.14 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 144 | 159.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1670 | A949-V1670 PolarHBondContact N-O 2.63Å |
| 950 | L | 62 | Low | 56.3 | Low | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 144.4 | 172.9 | -56.2 | 177.2 | 0 | 0 | 0 | 109.7 | F846 L881 T925 Y926 M928 F952 V1667 | F846-L950 HydrophobicContact CE2-CD1 3.83Å; F846-L950 HydrophobicContact CZ-CD1 3.79Å; L881-L950 HydrophobicContact CD2-CD1 3.73Å; T925-L950 CarbonylContact C-O 3.48Å; T925-L950 WeakPolarHBondContact CA-O 3.18Å; T925-L950 WeakPolarHBondContact CG2-O 3.08Å; Y926-L950 PolarHBondContact N-O 3.03Å; Y926-L950 PolarHBondContact O-N 3.16Å; M928-L950 HydrophobicContact CB-CD1 3.8Å; M928-L950 HydrophobicContact CB-CG 4.12Å; M928-L950 HydrophobicContact CG-CD1 4.29Å; M928-L950 HydrophobicContact SD-CD1 3.92Å; L950-F952 HydrophobicContact CB-CE2 4.06Å; L950-F952 HydrophobicContact CB-CZ 4.45Å; L950-F952 HydrophobicContact CD1-CE2 4.43Å; L950-F952 HydrophobicContact CD1-CZ 4.32Å; L950-V1667 HydrophobicContact CD2-CB 4.27Å; L950-V1667 HydrophobicContact CD2-CG1 3.75Å |
| 951 | S | 58.2 | Low | 57.1 | Low | 31 Ų | 31 | 46.8 Ų | 46.8 | 22% | 0.217 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 124 | 173.8 | -160.6 | 0 | 0 | 0 | 0 | 112.2 | T925 H953 | T925-S951 PolarHBondContact OG1-OG 2.92Å; S951-H953 PolarHBondContact OG-NE2 2.83Å |
| 952 | F | 61.1 | Low | 57.9 | Low | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 128.6 | -177.9 | -61.3 | -87.9 | 0 | 0 | 0 | 110.7 | F846 I921 P923 G924 Y926 L950 N958 | F846-F952 HydrophobicContact CB-CE1 3.62Å; F846-F952 HydrophobicContact CB-CZ 3.84Å; F846-F952 HydrophobicContact CD1-CZ 4.46Å; F846-F952 AromaticContact CD2-CE1 3.74Å; F846-F952 HydrophobicContact CD2-CE1 3.74Å; F846-F952 AromaticContact CD2-CZ 3.53Å; F846-F952 HydrophobicContact CD2-CZ 3.53Å; F846-F952 HydrophobicContact CE2-CZ 4.19Å; F846-F952 AromaticContact CG-CE1 3.9Å; F846-F952 HydrophobicContact CG-CE1 3.9Å; F846-F952 AromaticContact CG-CZ 3.68Å; F846-F952 HydrophobicContact CG-CZ 3.68Å; I921-F952 HydrophobicContact CD1-CZ 4.38Å; P923-F952 CarbonylContact C-O 3.12Å; P923-F952 WeakPolarHBondContact CA-O 3.46Å; P923-F952 VanDerWaalsContact CB-O 3.29Å; P923-F952 WeakPolarHBondContact CB-O 3.45Å; G924-F952 PolarHBondContact N-O 3.13Å; G924-F952 PolarHBondContact O-N 2.7Å; Y926-F952 AromaticContact CD2-CD2 3.66Å; Y926-F952 HydrophobicContact CD2-CD2 3.66Å; Y926-F952 AromaticContact CD2-CE2 3.88Å; Y926-F952 HydrophobicContact CD2-CE2 3.88Å; Y926-F952 AromaticContact CE2-CD2 3.82Å; Y926-F952 HydrophobicContact CE2-CD2 3.82Å; Y926-F952 HydrophobicContact CE2-CE2 4.35Å; L950-F952 HydrophobicContact CB-CE2 4.06Å; L950-F952 HydrophobicContact CB-CZ 4.45Å; L950-F952 HydrophobicContact CD1-CE2 4.43Å; L950-F952 HydrophobicContact CD1-CZ 4.32Å; F952-N958 WeakPolarHBondContact CA-OD1 3.17Å; F952-N958 HydrophobicContact CD1-CB 3.65Å; F952-N958 HydrophobicContact CE1-CB 4.11Å |
| 953 | H | 57.1 | Low | 58.4 | Low | 81 Ų | 81 | 48 Ų | 48 | 38% | 0.375 | 25% | 0.245 | S | C | . | . | trans | -130.4 | 150.5 | 173.9 | -61.5 | -89.8 | 0 | 0 | 0 | 111.2 | S951 D955 R956 N958 | S951-H953 PolarHBondContact OG-NE2 2.83Å; H953-D955 VanDerWaalsContact C-N 3.29Å; H953-D955 PolarHBondContact O-N 3.01Å; H953-R956 HydrophobicContact CB-CB 4.11Å; H953-R956 HydrophobicContact CB-CG 4.09Å; H953-N958 PolarHBondContact N-ND2 2.88Å; H953-N958 PolarHBondContact N-OD1 3.2Å; H953-N958 VanDerWaalsContact N-OD1 3.16Å; H953-N958 PolarHBondContact O-ND2 3.46Å | ||
| 954 | V | 54.3 | Low | 58.8 | Low | 38 Ų | 38 | 50.9 Ų | 50.9 | 23% | 0.23 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -37 | 178 | -168.9 | 0 | 0 | 0 | 0 | 111.3 | N843 L844 P923 | N843-V954 WeakPolarHBondContact CB-O 3.41Å; N843-V954 PolarHBondContact ND2-O 3.05Å; L844-V954 HydrophobicContact CD2-CG2 4.37Å; P923-V954 HydrophobicContact CB-CG2 4.2Å; P923-V954 HydrophobicContact CG-CG2 3.81Å |
| 955 | D | 52.1 | Low | 59.1 | Low | 145 Ų | 145 | 47.1 Ų | 47.1 | 78% | 0.775 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -3.3 | -174.2 | -52.9 | -50.9 | 0 | 0 | 0 | 113.9 | H953 | H953-D955 VanDerWaalsContact C-N 3.29Å; H953-D955 PolarHBondContact O-N 3.01Å |
| 956 | R | 50.7 | Low | 59.3 | Low | 133 Ų | 133 | 45.9 Ų | 45.9 | 50% | 0.502 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -105.2 | 153.6 | 175.8 | -68.8 | -170.1 | 175 | -161.7 | -2.7 | 111.3 | H953 N958 | H953-R956 HydrophobicContact CB-CB 4.11Å; H953-R956 HydrophobicContact CB-CG 4.09Å; R956-N958 PolarHBondContact O-N 2.85Å |
| 957 | F | 49 | Very low | 59.3 | Low | 59 Ų | 59 | 48.2 Ų | 48.2 | 26% | 0.259 | 24% | 0.239 | S | C | . | . | trans | -75.1 | 101.7 | 163.7 | -66.4 | -95.3 | 0 | 0 | 0 | 107.9 | R842 G959 F1042 E1665 | R842-F957 VanDerWaalsContact CZ-CE1 3.49Å; R842-F957 VanDerWaalsContact NH2-CE1 3.31Å; F957-G959 PolarHBondContact O-N 2.85Å; F957-G959 VanDerWaalsContact O-N 3.1Å; F957-F1042 HydrophobicContact CD2-CD1 4.4Å; F957-F1042 HydrophobicContact CE2-CD1 4.16Å; F957-E1665 WeakPolarHBondContact CB-OE2 3.36Å | ||
| 958 | N | 54 | Low | 59.3 | Low | 16 Ų | 16 | 49.7 Ų | 49.7 | 9% | 0.086 | 24% | 0.237 | C | C | . | . | trans | -79 | 97 | 173 | -56 | -42.5 | 0 | 0 | 0 | 106.5 | N843 F952 H953 R956 | N843-N958 PolarHBondContact O-ND2 2.76Å; F952-N958 WeakPolarHBondContact CA-OD1 3.17Å; F952-N958 HydrophobicContact CD1-CB 3.65Å; F952-N958 HydrophobicContact CE1-CB 4.11Å; H953-N958 PolarHBondContact N-ND2 2.88Å; H953-N958 PolarHBondContact N-OD1 3.2Å; H953-N958 VanDerWaalsContact N-OD1 3.16Å; H953-N958 PolarHBondContact O-ND2 3.46Å; R956-N958 PolarHBondContact O-N 2.85Å | ||
| 959 | G | 54.8 | Low | 59 | Low | 13 Ų | 13 | 52.9 Ų | 52.9 | 13% | 0.134 | 25% | 0.254 | C | S | . | . | trans | -71.2 | -175.4 | -163.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | F957 E1665 | F957-G959 PolarHBondContact O-N 2.85Å; F957-G959 VanDerWaalsContact O-N 3.1Å; G959-E1665 WeakPolarHBondContact CA-O 3.05Å | ||
| 960 | R | 61.6 | Low | 58.9 | Low | 55 Ų | 55 | 59 Ų | 59 | 21% | 0.208 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 117.3 | -178.9 | -79.5 | -177.4 | 166.9 | -156.1 | -6 | 111.6 | D555 A599 C847 F1664 | D555-R960 PolarHBondContact O-NH2 3.37Å; D555-R960 IonicContact OD2-CZ 3.58Å; D555-R960 IonicContact OD2-NH1 3.9Å; D555-R960 PolarHBondContact OD2-NH1 2.77Å; D555-R960 IonicContact OD2-NH2 2.78Å; D555-R960 PolarHBondContact OD2-NH2 3.04Å; A599-R960 PolarHBondContact O-NH2 3.48Å; A599-R960 VanDerWaalsContact O-NH2 3.15Å; C847-R960 VanDerWaalsContact O-CA 3.25Å; C847-R960 WeakPolarHBondContact O-CA 3.45Å; R960-F1664 HydrophobicContact CB-CD1 4.45Å |
| 961 | S | 63.2 | Low | 58.5 | Low | 10 Ų | 10 | 66.2 Ų | 66.2 | 7% | 0.07 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 124.5 | -178.8 | -54.1 | 0 | 0 | 0 | 0 | 112.5 | C847 G848 Q849 | C847-S961 PolarHBondContact O-N 3.47Å; G848-S961 CarbonylContact C-O 3.51Å; G848-S961 WeakPolarHBondContact CA-O 3.46Å; Q849-S961 PolarHBondContact N-O 3.37Å |
| 962 | H | 64.4 | Low | 59 | Low | 93 Ų | 93 | 65.9 Ų | 65.9 | 43% | 0.431 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 123.6 | 164.3 | -90.9 | -100.6 | 0 | 0 | 0 | 109.5 | Q849 H964 | Q849-H962 WeakPolarHBondContact O-CA 3.18Å; H962-H964 AromaticContact ND1-NE2 3.87Å |
| 963 | I | 70.6 | Confident | 59.5 | Low | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 113 | -173.5 | -54.3 | 166.8 | 0 | 0 | 0 | 109.2 | Q849 I850 S851 I879 M928 A930 M948 L965 | Q849-I963 PolarHBondContact O-N 2.87Å; I850-I963 WeakPolarHBondContact CA-O 3.29Å; I850-I963 HydrophobicContact CB-CB 4.21Å; I850-I963 HydrophobicContact CD1-CB 4.42Å; I850-I963 HydrophobicContact CD1-CG2 4.13Å; I850-I963 HydrophobicContact CG1-CB 4.06Å; I850-I963 HydrophobicContact CG1-CG2 4.13Å; S851-I963 PolarHBondContact N-O 3.38Å; I879-I963 HydrophobicContact CD1-CD1 3.86Å; I879-I963 HydrophobicContact CG1-CD1 4.31Å; M928-I963 HydrophobicContact CE-CD1 3.55Å; M928-I963 HydrophobicContact CE-CG1 4.18Å; M928-I963 HydrophobicContact SD-CD1 3.92Å; A930-I963 HydrophobicContact CB-CD1 4.21Å; A930-I963 HydrophobicContact CB-CG2 3.67Å; M948-I963 HydrophobicContact CE-CG1 4.42Å; M948-I963 HydrophobicContact CE-CG2 4.25Å; I963-L965 HydrophobicContact CG2-CD2 4.2Å |
| 964 | H | 68.1 | Low | 60.3 | Low | 76 Ų | 76 | 69.1 Ų | 69.1 | 35% | 0.352 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 125.9 | -172.8 | -75.7 | -127.4 | 0 | 0 | 0 | 110.1 | S851 W871 H962 | S851-H964 WeakPolarHBondContact O-CA 3.33Å; W871-H964 AromaticContact CD1-CE1 3.83Å; W871-H964 AromaticContact CD1-ND1 3.7Å; W871-H964 HydrophobicContact CD2-CB 4.41Å; W871-H964 AromaticContact CD2-CE1 3.83Å; W871-H964 AromaticContact CD2-ND1 3.13Å; W871-H964 AromaticContact CE2-ND1 3.24Å; W871-H964 HydrophobicContact CE3-CB 4.03Å; W871-H964 AromaticContact CE3-CG 3.98Å; W871-H964 AromaticContact CE3-ND1 3.55Å; W871-H964 AromaticContact CG-CE1 3.67Å; W871-H964 AromaticContact CG-ND1 3.48Å; W871-H964 HydrophobicContact CH2-CB 3.77Å; W871-H964 HydrophobicContact CZ2-CB 4.13Å; W871-H964 AromaticContact CZ2-ND1 3.77Å; W871-H964 HydrophobicContact CZ3-CB 3.71Å; W871-H964 AromaticContact NE1-ND1 3.55Å; H962-H964 AromaticContact ND1-NE2 3.87Å |
| 965 | L | 66 | Low | 61.5 | Low | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 106.5 | -177.5 | -49.4 | -179.5 | 0 | 0 | 0 | 111.1 | S851 I852 E853 W871 A932 V946 I963 | S851-L965 PolarHBondContact O-N 2.87Å; I852-L965 HydrophobicContact CG2-CB 4.32Å; I852-L965 HydrophobicContact CG2-CD1 4.29Å; E853-L965 PolarHBondContact N-O 2.82Å; E853-L965 VanDerWaalsContact N-O 3.09Å; W871-L965 VanDerWaalsContact CZ3-N 3.33Å; W871-L965 WeakPolarHBondContact CZ3-O 3.44Å; A932-L965 HydrophobicContact CB-CD1 4.13Å; V946-L965 HydrophobicContact CB-CD2 4.07Å; V946-L965 HydrophobicContact CG2-CD2 3.59Å; I963-L965 HydrophobicContact CG2-CD2 4.2Å |
| 966 | K | 62.8 | Low | 63 | Low | 78 Ų | 78 | 61.3 Ų | 61.3 | 34% | 0.339 | 29% | 0.289 | S | S | . | . | trans | -77.8 | 178.6 | -176.8 | -59.9 | 175.1 | 179 | 172.9 | 0 | 113 | E853 W871 E944 Q1094 | E853-K966 VanDerWaalsContact OE2-CA 3.23Å; E853-K966 WeakPolarHBondContact OE2-CA 3.42Å; E853-K966 VanDerWaalsContact OE2-CB 3.31Å; E853-K966 WeakPolarHBondContact OE2-CB 3.34Å; W871-K966 HydrophobicContact CH2-CB 4.42Å; W871-K966 HydrophobicContact CH2-CG 3.69Å; W871-K966 HydrophobicContact CZ2-CG 4.16Å; E944-K966 HydrophobicContact CG-CB 4.4Å; E944-K966 PolarHBondContact N-O 3.46Å; E944-K966 WeakPolarHBondContact OE2-CB 3.36Å; E944-K966 PolarHBondContact OE2-N 3.1Å; K966-Q1094 VanDerWaalsContact NZ-NE2 3.14Å | ||
| 967 | R | 60.4 | Low | 64.7 | Low | 89 Ų | 89 | 55 Ų | 55 | 34% | 0.336 | 27% | 0.265 | S | S | . | . | B | Isolated β-bridge | trans | -112.3 | 138.7 | 178.1 | -170.5 | 178.3 | -179.1 | -153.7 | -3.5 | 112.3 | E853 V941 | E853-R967 PolarHBondContact OE2-N 3.07Å; V941-R967 HydrophobicContact CG1-CG 4.14Å |
| 968 | E | 57.8 | Low | 66.6 | Low | 83 Ų | 83 | 56.5 Ų | 56.5 | 39% | 0.388 | 28% | 0.276 | S | S | . | . | trans | -59 | 148 | -178.1 | -53.6 | -178.8 | 130.8 | 0 | 0 | 112.9 | R1291 T1378 | E968-R1291 IonicContact OE1-NH2 3.19Å; E968-R1291 PolarHBondContact OE1-NH2 3.29Å; E968-R1291 VanDerWaalsContact OE1-NH2 3.16Å; E968-R1291 IonicContact OE2-CZ 2.9Å; E968-R1291 IonicContact OE2-NH1 3.95Å; E968-R1291 PolarHBondContact OE2-NH1 2.82Å; E968-R1291 IonicContact OE2-NH2 2.74Å; E968-R1291 PolarHBondContact OE2-NH2 3.49Å; E968-T1378 HydrophobicContact CB-CG2 4.35Å | ||
| 969 | L | 55.6 | Low | 68.1 | Low | 89 Ų | 89 | 59.8 Ų | 59.8 | 47% | 0.466 | 29% | 0.294 | S | S | . | . | trans | -94.8 | 166.8 | -174.9 | -76.6 | 173.1 | 0 | 0 | 0 | 114.3 | ||||
| 970 | N | 53.5 | Low | 69.8 | Low | 144 Ų | 144 | 59.2 Ų | 59.2 | 77% | 0.77 | 29% | 0.288 | S | S | * | . | trans | -115.1 | -49.4 | -175.1 | -70.9 | 0.4 | 0 | 0 | 0 | 116 | A1374 | N970-A1374 WeakPolarHBondContact O-CB 3.5Š| ||
| 971 | E | 54 | Low | 71.3 | Confident | 154 Ų | 154 | 57 Ų | 57 | 72% | 0.72 | 28% | 0.279 | S | S | * | . | trans | -141.1 | 157.3 | -171.9 | -71 | -175.5 | 171.3 | 0 | 0 | 111.9 | A1374 | E971-A1374 VanDerWaalsContact CA-CB 3.41Š| ||
| 972 | I | 68.2 | Low | 72.5 | Confident | 23 Ų | 23 | 59.7 Ų | 59.7 | 12% | 0.118 | 29% | 0.293 | C | S | . | . | trans | -145.7 | 145.8 | -176.3 | -68.5 | -172.7 | 0 | 0 | 0 | 109.1 | H1082 P1370 V1373 A1374 W1377 | I972-H1082 WeakPolarHBondContact CG2-CD2 3.37Å; I972-H1082 VanDerWaalsContact CG2-NE2 3.29Å; I972-H1082 WeakPolarHBondContact CG2-NE2 3.24Å; I972-P1370 CarbonylContact O-C 3.52Å; I972-P1370 VanDerWaalsContact O-CA 3.3Å; I972-P1370 WeakPolarHBondContact O-CA 3.37Å; I972-P1370 WeakPolarHBondContact O-CB 3.36Å; I972-V1373 HydrophobicContact CB-CG1 4.37Å; I972-V1373 HydrophobicContact CG2-CB 4.48Å; I972-V1373 HydrophobicContact CG2-CG1 3.87Å; I972-A1374 HydrophobicContact CB-CB 3.97Å; I972-A1374 HydrophobicContact CD1-CB 4.29Å; I972-A1374 HydrophobicContact CG1-CB 3.77Å; I972-W1377 HydrophobicContact CD1-CB 3.67Å; I972-W1377 HydrophobicContact CD1-CD2 3.82Å; I972-W1377 HydrophobicContact CD1-CE3 4.44Å; I972-W1377 HydrophobicContact CD1-CG 3.49Å; I972-W1377 VanDerWaalsContact CD1-CG 3.49Å | ||
| 973 | N | 70.9 | Confident | 73.4 | Confident | 117 Ų | 117 | 57.9 Ų | 57.9 | 63% | 0.626 | 28% | 0.284 | S | S | * | . | trans | -70 | 158.3 | -179.1 | -69.8 | -15.1 | 0 | 0 | 0 | 113.7 | H1082 | N973-H1082 PolarHBondContact O-NE2 3.41Š| ||
| 974 | F | 75.5 | Confident | 74.4 | Confident | 37 Ų | 37 | 57.9 Ų | 57.9 | 16% | 0.162 | 29% | 0.285 | C | S | . | . | trans | -124.4 | 113.1 | 177.8 | -171.3 | -111.5 | 0 | 0 | 0 | 110.4 | Q1074 Q1078 W1121 Y1124 P1368 P1370 V1373 | F974-Q1074 HydrophobicContact CZ-CB 4.19Å; F974-Q1078 HydrophobicContact CD2-CG 3.63Å; F974-Q1078 HydrophobicContact CE2-CG 3.68Å; F974-W1121 AromaticContact CD1-CH2 3.76Å; F974-W1121 HydrophobicContact CD1-CH2 3.76Å; F974-W1121 HydrophobicContact CD1-CZ2 4.42Å; F974-W1121 AromaticContact CE1-CH2 3.24Å; F974-W1121 HydrophobicContact CE1-CH2 3.24Å; F974-W1121 HydrophobicContact CE1-CZ2 4.11Å; F974-W1121 AromaticContact CE1-CZ3 3.77Å; F974-W1121 HydrophobicContact CE1-CZ3 3.77Å; F974-W1121 HydrophobicContact CE2-CH2 4.47Å; F974-W1121 AromaticContact CZ-CH2 3.65Å; F974-W1121 HydrophobicContact CZ-CH2 3.65Å; F974-W1121 AromaticContact CZ-CZ3 3.75Å; F974-W1121 HydrophobicContact CZ-CZ3 3.75Å; F974-Y1124 HydrophobicContact CE1-CE1 4.05Å; F974-P1368 HydrophobicContact CE2-CG 3.84Å; F974-P1370 HydrophobicContact CB-CB 4.49Å; F974-P1370 HydrophobicContact CB-CG 3.85Å; F974-V1373 HydrophobicContact CD2-CG2 4.24Å | ||
| 975 | N | 79.1 | Confident | 75.4 | Confident | 17 Ų | 17 | 59.7 Ų | 59.7 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | trans | -110.4 | 141.8 | -165.4 | -63.5 | -1 | 0 | 0 | 0 | 111.3 | D979 I980 H983 Q1078 W1121 | N975-D979 HydrophobicContact CB-CB 4.1Å; N975-I980 HydrophobicContact CB-CG1 3.94Å; N975-H983 PolarHBondContact ND2-CE1 3.05Å; N975-H983 PolarHBondContact ND2-NE2 3.47Å; N975-Q1078 PolarHBondContact O-NE2 2.86Å; N975-W1121 VanDerWaalsContact O-CH2 3.23Å; N975-W1121 WeakPolarHBondContact O-CH2 3.2Å | ||
| 976 | G | 83.4 | Confident | 76.4 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | trans | -81.8 | 178.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | D979 I980 W1121 | G976-D979 VanDerWaalsContact CA-OD2 3.22Å; G976-D979 WeakPolarHBondContact CA-OD2 3.49Å; G976-D979 PolarHBondContact N-OD2 3.35Å; G976-D979 CarbonylContact O-C 2.72Å; G976-D979 PolarHBondContact O-N 3.18Å; G976-I980 WeakPolarHBondContact O-CB 3.41Å; G976-I980 WeakPolarHBondContact O-CD1 3.43Å; G976-I980 WeakPolarHBondContact O-CG1 3.45Å; G976-I980 PolarHBondContact O-N 2.69Å; G976-W1121 VanDerWaalsContact CA-CE2 3.41Å | ||
| 977 | P | 86.8 | Confident | 77.5 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.6 | -40 | -172.9 | -20.9 | 35.2 | 0 | 0 | 0 | 112.3 | Y981 I1111 L1117 Y1118 W1121 | P977-Y981 WeakPolarHBondContact O-CD2 3.49Å; P977-Y981 PolarHBondContact O-N 3.27Å; P977-Y981 VanDerWaalsContact O-N 3.14Å; P977-I1111 HydrophobicContact CB-CD1 4.21Å; P977-L1117 HydrophobicContact CB-CD2 4.04Å; P977-L1117 HydrophobicContact CB-CG 4.32Å; P977-L1117 HydrophobicContact CG-CD2 3.91Å; P977-L1117 HydrophobicContact CG-CG 3.78Å; P977-Y1118 HydrophobicContact CB-CD1 4.25Å; P977-Y1118 HydrophobicContact CB-CD2 4.44Å; P977-Y1118 HydrophobicContact CB-CE1 3.91Å; P977-Y1118 HydrophobicContact CB-CE2 4.08Å; P977-Y1118 HydrophobicContact CG-CD1 4.44Å; P977-Y1118 HydrophobicContact CG-CE1 4.48Å; P977-W1121 VanDerWaalsContact CD-CG 3.48Å; P977-W1121 HydrophobicContact CG-CB 3.93Å; P977-W1121 HydrophobicContact CG-CD2 4.17Å; P977-W1121 HydrophobicContact CG-CE3 4.45Å; P977-W1121 HydrophobicContact CG-CG 3.92Å |
| 978 | D | 88 | Confident | 78.5 | Confident | 91 Ų | 91 | 58.4 Ų | 58.4 | 49% | 0.487 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 170.5 | -58.6 | -61 | 0 | 0 | 0 | 110.3 | I980 Y981 D982 Y1118 | D978-I980 PolarHBondContact O-N 3.47Å; D978-Y981 CarbonylContact O-C 3.32Å; D978-Y981 PolarHBondContact O-N 2.91Å; D978-D982 WeakPolarHBondContact O-CB 3.16Å; D978-D982 PolarHBondContact O-N 3.43Å; D978-Y1118 VanDerWaalsContact OD1-CE1 3.31Å; D978-Y1118 WeakPolarHBondContact OD1-CE1 3.32Å; D978-Y1118 PolarHBondContact OD1-OH 3.21Å; D978-Y1118 WeakPolarHBondContact OD2-CE1 3.34Å |
| 979 | D | 86.4 | Confident | 79.3 | Confident | 85 Ų | 85 | 58.4 Ų | 58.4 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.7 | -37.6 | -179.9 | -48.1 | -54.4 | 0 | 0 | 0 | 112.7 | N975 G976 D982 H983 | N975-D979 HydrophobicContact CB-CB 4.1Å; G976-D979 VanDerWaalsContact CA-OD2 3.22Å; G976-D979 WeakPolarHBondContact CA-OD2 3.49Å; G976-D979 PolarHBondContact N-OD2 3.35Å; G976-D979 CarbonylContact O-C 2.72Å; G976-D979 PolarHBondContact O-N 3.18Å; D979-D982 PolarHBondContact O-N 2.77Å; D979-H983 PolarHBondContact O-CD2 2.97Å; D979-H983 PolarHBondContact O-N 3.01Å |
| 980 | I | 90.2 | Very high | 80.4 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.8 | -45.2 | 175.9 | -72.1 | 161.5 | 0 | 0 | 0 | 110.2 | N975 G976 D978 D982 H983 M984 P1077 V1081 P1110 I1111 | N975-I980 HydrophobicContact CB-CG1 3.94Å; G976-I980 WeakPolarHBondContact O-CB 3.41Å; G976-I980 WeakPolarHBondContact O-CD1 3.43Å; G976-I980 WeakPolarHBondContact O-CG1 3.45Å; G976-I980 PolarHBondContact O-N 2.69Å; D978-I980 PolarHBondContact O-N 3.47Å; I980-D982 VanDerWaalsContact C-N 3.27Å; I980-D982 PolarHBondContact O-N 2.86Å; I980-H983 WeakPolarHBondContact O-CB 3.49Å; I980-H983 PolarHBondContact O-N 2.96Å; I980-M984 HydrophobicContact CG2-SD 3.87Å; I980-M984 VanDerWaalsContact O-CG 3.24Å; I980-M984 WeakPolarHBondContact O-CG 3.41Å; I980-M984 PolarHBondContact O-N 3.34Å; I980-P1077 HydrophobicContact CD1-CB 3.7Å; I980-V1081 HydrophobicContact CG1-CB 4.49Å; I980-V1081 HydrophobicContact CG1-CG1 4.32Å; I980-V1081 HydrophobicContact CG2-CB 4.45Å; I980-V1081 HydrophobicContact CG2-CG2 4.39Å; I980-P1110 HydrophobicContact CG2-CB 4Å; I980-P1110 HydrophobicContact CG2-CG 3.76Å; I980-I1111 HydrophobicContact CB-CD1 4.12Å; I980-I1111 HydrophobicContact CD1-CD1 4.33Å; I980-I1111 HydrophobicContact CG2-CD1 3.85Å; I980-I1111 HydrophobicContact CG2-CG1 4.48Å |
| 981 | Y | 92.2 | Very high | 81.7 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 3% | 0.027 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.1 | -30.2 | 173.6 | -67.1 | -28.7 | 0 | 0 | 0 | 112.4 | P977 D978 M984 R985 M995 Y1008 I1111 Y1118 | P977-Y981 WeakPolarHBondContact O-CD2 3.49Å; P977-Y981 PolarHBondContact O-N 3.27Å; P977-Y981 VanDerWaalsContact O-N 3.14Å; D978-Y981 CarbonylContact O-C 3.32Å; D978-Y981 PolarHBondContact O-N 2.91Å; Y981-M984 HydrophobicContact CD1-CE 4.36Å; Y981-M984 HydrophobicContact CD1-SD 3.86Å; Y981-R985 VanDerWaalsContact O-CB 3.27Å; Y981-R985 WeakPolarHBondContact O-CB 3.31Å; Y981-R985 PolarHBondContact O-N 3.29Å; Y981-R985 PolarHBondContact O-NH2 3.07Å; Y981-M995 HydrophobicContact CD1-CE 4.02Å; Y981-M995 HydrophobicContact CG-CE 4.19Å; Y981-M995 WeakPolarHBondContact O-CE 3.5Å; Y981-Y1008 AromaticContact CD1-CD2 3.74Å; Y981-Y1008 HydrophobicContact CD1-CD2 3.74Å; Y981-Y1008 HydrophobicContact CD1-CG 4.15Å; Y981-Y1008 AromaticContact CD2-CD2 3.86Å; Y981-Y1008 HydrophobicContact CD2-CD2 3.86Å; Y981-Y1008 HydrophobicContact CD2-CE2 4.08Å; Y981-Y1008 AromaticContact CE1-CD2 3.64Å; Y981-Y1008 HydrophobicContact CE1-CD2 3.64Å; Y981-Y1008 HydrophobicContact CE1-CG 4.11Å; Y981-Y1008 AromaticContact CE2-CD2 3.74Å; Y981-Y1008 HydrophobicContact CE2-CD2 3.74Å; Y981-Y1008 HydrophobicContact CE2-CE2 4.16Å; Y981-Y1008 AromaticContact CG-CD2 3.85Å; Y981-Y1008 HydrophobicContact CG-CD2 3.85Å; Y981-Y1008 HydrophobicContact CG-CE2 4.3Å; Y981-Y1008 AromaticContact CZ-CD2 3.61Å; Y981-I1111 HydrophobicContact CD1-CD1 4.13Å; Y981-I1111 HydrophobicContact CE1-CB 3.87Å; Y981-I1111 HydrophobicContact CE1-CD1 3.65Å; Y981-I1111 HydrophobicContact CE1-CG1 4.13Å; Y981-I1111 HydrophobicContact CE2-CD1 4.44Å; Y981-I1111 WeakPolarHBondContact OH-CB 3.45Å; Y981-I1111 WeakPolarHBondContact OH-CG2 3.47Å; Y981-I1111 PolarHBondContact OH-O 2.92Å; Y981-Y1118 HydrophobicContact CE2-CE2 4.15Å |
| 982 | D | 88.2 | Confident | 83.1 | Confident | 67 Ų | 67 | 46.9 Ų | 46.9 | 36% | 0.358 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -74.8 | -37.4 | 174.5 | -76.2 | 9 | 0 | 0 | 0 | 111.5 | D978 D979 I980 R985 N986 | D978-D982 WeakPolarHBondContact O-CB 3.16Å; D978-D982 PolarHBondContact O-N 3.43Å; D979-D982 PolarHBondContact O-N 2.77Å; I980-D982 VanDerWaalsContact C-N 3.27Å; I980-D982 PolarHBondContact O-N 2.86Å; D982-R985 PolarHBondContact O-N 3.13Å; D982-R985 IonicContact OD1-CZ 2.79Å; D982-R985 IonicContact OD1-NH1 3.81Å; D982-R985 PolarHBondContact OD1-NH1 2.97Å; D982-R985 IonicContact OD1-NH2 3.67Å; D982-R985 PolarHBondContact OD1-NH2 2.86Å; D982-N986 VanDerWaalsContact O-CB 3.3Å; D982-N986 WeakPolarHBondContact O-CB 3.23Å; D982-N986 PolarHBondContact O-N 3.04Å; D982-N986 PolarHBondContact O-ND2 3.35Å; D982-N986 PolarHBondContact O-OD1 3.34Å |
| 983 | H | 84 | Confident | 84.1 | Confident | 55 Ų | 55 | 46 Ų | 46 | 26% | 0.255 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -54.6 | -52.5 | 166.7 | -96.9 | -116.5 | 0 | 0 | 0 | 111.2 | N975 D979 I980 R985 N986 H987 V1081 D1085 | N975-H983 PolarHBondContact ND2-CE1 3.05Å; N975-H983 PolarHBondContact ND2-NE2 3.47Å; D979-H983 PolarHBondContact O-CD2 2.97Å; D979-H983 PolarHBondContact O-N 3.01Å; I980-H983 WeakPolarHBondContact O-CB 3.49Å; I980-H983 PolarHBondContact O-N 2.96Å; H983-R985 VanDerWaalsContact C-N 3.31Å; H983-R985 PolarHBondContact O-N 3.2Å; H983-N986 PolarHBondContact O-N 2.83Å; H983-H987 PolarHBondContact O-N 2.8Å; H983-V1081 HydrophobicContact CB-CG2 3.7Å; H983-D1085 IonicContact CE1-OD1 2.74Å; H983-D1085 IonicContact CE1-OD2 2.86Å; H983-D1085 PolarHBondContact CE1-OD2 2.78Å; H983-D1085 IonicContact ND1-OD1 3.78Å; H983-D1085 PolarHBondContact ND1-OD1 2.88Å; H983-D1085 VanDerWaalsContact ND1-OD1 3.1Å; H983-D1085 IonicContact ND1-OD2 2.63Å; H983-D1085 PolarHBondContact ND1-OD2 3.16Å; H983-D1085 VanDerWaalsContact ND1-OD2 3.14Å |
| 984 | M | 91.4 | Very high | 84.9 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.3 | -37.5 | 178.8 | -64.9 | 157.4 | 66.2 | 0 | 0 | 112.2 | I980 Y981 T988 M995 A1009 F1010 L1084 P1110 | I980-M984 HydrophobicContact CG2-SD 3.87Å; I980-M984 VanDerWaalsContact O-CG 3.24Å; I980-M984 WeakPolarHBondContact O-CG 3.41Å; I980-M984 PolarHBondContact O-N 3.34Å; Y981-M984 HydrophobicContact CD1-CE 4.36Å; Y981-M984 HydrophobicContact CD1-SD 3.86Å; M984-T988 WeakPolarHBondContact O-CB 3.23Å; M984-T988 PolarHBondContact O-N 2.83Å; M984-T988 PolarHBondContact O-OG1 3.04Å; M984-M995 HydrophobicContact CB-CE 3.87Å; M984-M995 HydrophobicContact CB-SD 3.7Å; M984-M995 HydrophobicContact CE-CE 4.02Å; M984-M995 HydrophobicContact SD-CE 4.4Å; M984-A1009 WeakPolarHBondContact CE-O 3.33Å; M984-F1010 HydrophobicContact CB-CD2 4.22Å; M984-F1010 VanDerWaalsContact O-CE2 3.3Å; M984-F1010 WeakPolarHBondContact O-CE2 3.45Å; M984-L1084 HydrophobicContact CG-CD2 4.13Å; M984-P1110 HydrophobicContact CE-CG 3.96Å; M984-P1110 HydrophobicContact SD-CG 3.41Å; M984-P1110 WeakPolarHBondContact SD-CG 3.35Å |
| 985 | R | 89 | Confident | 85.7 | Confident | 113 Ų | 113 | 43.1 Ų | 43.1 | 43% | 0.426 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -72.5 | -35.2 | 177.6 | -157.7 | -179.2 | -47.8 | 112.8 | 21.3 | 112 | Y981 D982 H983 T988 A989 M995 | Y981-R985 VanDerWaalsContact O-CB 3.27Å; Y981-R985 WeakPolarHBondContact O-CB 3.31Å; Y981-R985 PolarHBondContact O-N 3.29Å; Y981-R985 PolarHBondContact O-NH2 3.07Å; D982-R985 PolarHBondContact O-N 3.13Å; D982-R985 IonicContact OD1-CZ 2.79Å; D982-R985 IonicContact OD1-NH1 3.81Å; D982-R985 PolarHBondContact OD1-NH1 2.97Å; D982-R985 IonicContact OD1-NH2 3.67Å; D982-R985 PolarHBondContact OD1-NH2 2.86Å; H983-R985 VanDerWaalsContact C-N 3.31Å; H983-R985 PolarHBondContact O-N 3.2Å; R985-T988 WeakPolarHBondContact O-CB 3.16Å; R985-T988 PolarHBondContact O-N 3.37Å; R985-A989 PolarHBondContact O-N 3.06Å; R985-M995 HydrophobicContact CB-SD 3.81Å; R985-M995 HydrophobicContact CG-SD 4.31Å; R985-M995 PolarHBondContact N-SD 3.15Å |
| 986 | N | 86.8 | Confident | 86.2 | Confident | 93 Ų | 93 | 43.7 Ų | 43.7 | 50% | 0.497 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.3 | -51.5 | 172.6 | -68.9 | -21.1 | 0 | 0 | 0 | 110.3 | D982 H983 T988 A989 E990 | D982-N986 VanDerWaalsContact O-CB 3.3Å; D982-N986 WeakPolarHBondContact O-CB 3.23Å; D982-N986 PolarHBondContact O-N 3.04Å; D982-N986 PolarHBondContact O-ND2 3.35Å; D982-N986 PolarHBondContact O-OD1 3.34Å; H983-N986 PolarHBondContact O-N 2.83Å; N986-T988 PolarHBondContact O-N 2.96Å; N986-A989 CarbonylContact O-C 3.01Å; N986-A989 WeakPolarHBondContact O-CA 3.2Å; N986-A989 WeakPolarHBondContact O-CB 3.19Å; N986-A989 PolarHBondContact O-N 2.94Å; N986-E990 WeakPolarHBondContact O-CG 3.37Å; N986-E990 PolarHBondContact O-N 2.97Å |
| 987 | H | 85.6 | Confident | 86.7 | Confident | 14 Ų | 14 | 45.8 Ų | 45.8 | 7% | 0.065 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.1 | -23.1 | 175 | -72.5 | -35.6 | 0 | 0 | 0 | 113.5 | H983 E990 S991 C992 F1010 D1085 | H983-H987 PolarHBondContact O-N 2.8Å; H987-E990 IonicContact CE1-OE2 3.12Å; H987-E990 IonicContact CG-OE2 2.65Å; H987-E990 IonicContact ND1-OE1 3.22Å; H987-E990 IonicContact ND1-OE2 2.81Å; H987-E990 PolarHBondContact ND1-OE2 3.16Å; H987-S991 PolarHBondContact O-N 3.42Å; H987-C992 HydrophobicContact CB-CB 4.21Å; H987-C992 WeakPolarHBondContact O-CB 3.38Å; H987-C992 PolarHBondContact O-N 3.21Å; H987-F1010 HydrophobicContact CB-CE2 3.62Å; H987-F1010 HydrophobicContact CB-CZ 3.61Å; H987-D1085 IonicContact CD2-OD1 3.88Å; H987-D1085 IonicContact NE2-OD1 2.74Å; H987-D1085 PolarHBondContact NE2-OD1 3.39Å |
| 988 | T | 81.9 | Confident | 86.9 | Confident | 34 Ų | 34 | 47.2 Ų | 47.2 | 21% | 0.209 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -74.7 | -41.2 | 170.5 | -62.1 | 0 | 0 | 0 | 0 | 111.3 | M984 R985 N986 S991 M995 F1010 | M984-T988 WeakPolarHBondContact O-CB 3.23Å; M984-T988 PolarHBondContact O-N 2.83Å; M984-T988 PolarHBondContact O-OG1 3.04Å; R985-T988 WeakPolarHBondContact O-CB 3.16Å; R985-T988 PolarHBondContact O-N 3.37Å; N986-T988 PolarHBondContact O-N 2.96Å; T988-S991 WeakPolarHBondContact O-CA 3.42Å; T988-S991 PolarHBondContact O-N 3.35Å; T988-M995 HydrophobicContact CG2-CB 4.33Å; T988-M995 WeakPolarHBondContact OG1-CB 3.23Å; T988-M995 PolarHBondContact OG1-N 3.41Å; T988-F1010 WeakPolarHBondContact OG1-CE2 2.91Å |
| 989 | A | 75.4 | Confident | 87.1 | Confident | 82 Ų | 82 | 43.5 Ų | 43.5 | 68% | 0.678 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -66.5 | -36.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R985 N986 S991 | R985-A989 PolarHBondContact O-N 3.06Å; N986-A989 CarbonylContact O-C 3.01Å; N986-A989 WeakPolarHBondContact O-CA 3.2Å; N986-A989 WeakPolarHBondContact O-CB 3.19Å; N986-A989 PolarHBondContact O-N 2.94Å; A989-S991 PolarHBondContact O-N 3.24Å |
| 990 | E | 78.6 | Confident | 87.4 | Confident | 94 Ų | 94 | 43.8 Ų | 43.8 | 44% | 0.439 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -1.9 | 168.3 | -66.5 | 169.7 | -168.5 | 0 | 0 | 113.5 | N986 H987 C992 R1091 | N986-E990 WeakPolarHBondContact O-CG 3.37Å; N986-E990 PolarHBondContact O-N 2.97Å; H987-E990 IonicContact CE1-OE2 3.12Å; H987-E990 IonicContact CG-OE2 2.65Å; H987-E990 IonicContact ND1-OE1 3.22Å; H987-E990 IonicContact ND1-OE2 2.81Å; H987-E990 PolarHBondContact ND1-OE2 3.16Å; E990-C992 PolarHBondContact O-N 2.98Å; E990-C992 VanDerWaalsContact O-N 3.13Å; E990-R1091 PolarHBondContact O-NH2 3.44Å |
| 991 | S | 80.6 | Confident | 87.6 | Confident | 51 Ų | 51 | 44 Ų | 44 | 36% | 0.357 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 33.3 | -178.5 | -53.8 | 0 | 0 | 0 | 0 | 113.4 | H987 T988 A989 Y1016 T1018 | H987-S991 PolarHBondContact O-N 3.42Å; T988-S991 WeakPolarHBondContact O-CA 3.42Å; T988-S991 PolarHBondContact O-N 3.35Å; A989-S991 PolarHBondContact O-N 3.24Å; S991-Y1016 VanDerWaalsContact O-O 3.08Å; S991-T1018 WeakPolarHBondContact CB-OG1 3.49Å; S991-T1018 WeakPolarHBondContact O-CB 3.28Å; S991-T1018 PolarHBondContact O-N 2.73Å; S991-T1018 PolarHBondContact O-OG1 2.79Å |
| 992 | C | 83.5 | Confident | 87.5 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -68.2 | -26.6 | 165 | 178.7 | 0 | 0 | 0 | 0 | 110.5 | H987 E990 F1010 I1012 T1017 C1088 | H987-C992 HydrophobicContact CB-CB 4.21Å; H987-C992 WeakPolarHBondContact O-CB 3.38Å; H987-C992 PolarHBondContact O-N 3.21Å; E990-C992 PolarHBondContact O-N 2.98Å; E990-C992 VanDerWaalsContact O-N 3.13Å; C992-F1010 HydrophobicContact CB-CE1 4.29Å; C992-F1010 HydrophobicContact CB-CZ 3.91Å; C992-I1012 WeakPolarHBondContact O-CG1 3.44Å; C992-I1012 VanDerWaalsContact SG-CD1 3.56Å; C992-T1017 WeakPolarHBondContact O-CA 3.21Å; C992-T1017 VanDerWaalsContact O-CB 3.23Å; C992-T1017 WeakPolarHBondContact O-CB 3.36Å; C992-T1017 WeakPolarHBondContact O-CG2 3.15Å; C992-T1017 PolarHBondContact O-OG1 2.89Å; C992-C1088 HydrophobicContact CB-CB 3.96Å; C992-C1088 WeakPolarHBondContact CB-SG 3.35Å; C992-C1088 WeakPolarHBondContact SG-CA 3.49Å; C992-C1088 WeakPolarHBondContact SG-CB 3.49Å; C992-C1088 CovalentContact SG-SG 2.04Å; C992-C1088 PolarHBondContact SG-SG 3.29Å |
| 993 | G | 88.7 | Confident | 87.7 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -173 | -160.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | F1010 E1011 | G993-F1010 VanDerWaalsContact CA-CE1 3.42Å; G993-F1010 VanDerWaalsContact CA-CZ 3.42Å; G993-E1011 CarbonylContact C-O 3.53Å; G993-E1011 WeakPolarHBondContact CA-O 3.41Å |
| 994 | K | 88.9 | Confident | 88 | Confident | 71 Ų | 71 | 49.7 Ų | 49.7 | 31% | 0.309 | 28% | 0.277 | S | S | . | . | B | Isolated β-bridge | trans | -124.4 | 139.7 | -177.8 | -160.3 | -156 | 157.9 | -143.3 | 0 | 110.7 | F996 F1010 E1011 Y1016 D1593 | K994-F996 VanDerWaalsContact C-CD1 3.43Å; K994-F996 HydrophobicContact CB-CD1 3.72Å; K994-F996 HydrophobicContact CB-CE1 3.69Å; K994-F996 HydrophobicContact CD-CB 4.46Å; K994-F996 HydrophobicContact CD-CD1 3.28Å; K994-F996 HydrophobicContact CD-CD2 4.46Å; K994-F996 HydrophobicContact CD-CE1 3.54Å; K994-F996 HydrophobicContact CD-CG 3.84Å; K994-F996 HydrophobicContact CD-CZ 4.25Å; K994-F996 HydrophobicContact CG-CD1 3.35Å; K994-F996 HydrophobicContact CG-CE1 3.78Å; K994-F996 HydrophobicContact CG-CG 4.2Å; K994-F996 VanDerWaalsContact O-CE1 3.23Å; K994-F996 WeakPolarHBondContact O-CE1 3.38Å; K994-F1010 CarbonylContact O-C 3.24Å; K994-F1010 WeakPolarHBondContact O-CA 3.35Å; K994-E1011 PolarHBondContact N-O 2.61Å; K994-E1011 PolarHBondContact O-N 3.3Å; K994-Y1016 HydrophobicContact CB-CD1 3.87Å; K994-Y1016 HydrophobicContact CB-CG 4.29Å; K994-Y1016 HydrophobicContact CD-CD1 4.22Å; K994-Y1016 HydrophobicContact CD-CE1 4.24Å; K994-Y1016 HydrophobicContact CG-CD1 4.5Å; K994-D1593 IonicContact NZ-OD1 3.46Å; K994-D1593 PolarHBondContact NZ-OD1 2.89Å |
| 995 | M | 90.8 | Very high | 88 | Confident | 23 Ų | 23 | 53 Ų | 53 | 11% | 0.113 | 29% | 0.29 | C | S | . | . | trans | -129.1 | 136.5 | 168.2 | 179 | -167 | -161.3 | 0 | 0 | 109.9 | Y981 M984 R985 T988 Y1008 A1009 | Y981-M995 HydrophobicContact CD1-CE 4.02Å; Y981-M995 HydrophobicContact CG-CE 4.19Å; Y981-M995 WeakPolarHBondContact O-CE 3.5Å; M984-M995 HydrophobicContact CB-CE 3.87Å; M984-M995 HydrophobicContact CB-SD 3.7Å; M984-M995 HydrophobicContact CE-CE 4.02Å; M984-M995 HydrophobicContact SD-CE 4.4Å; R985-M995 HydrophobicContact CB-SD 3.81Å; R985-M995 HydrophobicContact CG-SD 4.31Å; R985-M995 PolarHBondContact N-SD 3.15Å; T988-M995 HydrophobicContact CG2-CB 4.33Å; T988-M995 WeakPolarHBondContact OG1-CB 3.23Å; T988-M995 PolarHBondContact OG1-N 3.41Å; M995-Y1008 HydrophobicContact CE-CD1 3.3Å; M995-Y1008 HydrophobicContact CE-CD2 3.9Å; M995-Y1008 HydrophobicContact CE-CE1 3.84Å; M995-Y1008 HydrophobicContact CE-CE2 4.32Å; M995-Y1008 HydrophobicContact CE-CG 3.36Å; M995-Y1008 HydrophobicContact CG-CD1 3.57Å; M995-Y1008 HydrophobicContact CG-CE1 4.26Å; M995-Y1008 HydrophobicContact CG-CG 4.32Å; M995-Y1008 HydrophobicContact SD-CD1 4.12Å; M995-A1009 WeakPolarHBondContact CB-O 3.48Å; M995-A1009 WeakPolarHBondContact CG-O 3.12Å | ||
| 996 | F | 90.8 | Very high | 88.2 | Confident | 29 Ų | 29 | 49.2 Ų | 49.2 | 13% | 0.127 | 28% | 0.28 | C | S | . | . | trans | 179.2 | 118.5 | -156.6 | 49.5 | -85.8 | 0 | 0 | 0 | 113.2 | K994 E1011 D1593 D1594 D1595 | K994-F996 VanDerWaalsContact C-CD1 3.43Å; K994-F996 HydrophobicContact CB-CD1 3.72Å; K994-F996 HydrophobicContact CB-CE1 3.69Å; K994-F996 HydrophobicContact CD-CB 4.46Å; K994-F996 HydrophobicContact CD-CD1 3.28Å; K994-F996 HydrophobicContact CD-CD2 4.46Å; K994-F996 HydrophobicContact CD-CE1 3.54Å; K994-F996 HydrophobicContact CD-CG 3.84Å; K994-F996 HydrophobicContact CD-CZ 4.25Å; K994-F996 HydrophobicContact CG-CD1 3.35Å; K994-F996 HydrophobicContact CG-CE1 3.78Å; K994-F996 HydrophobicContact CG-CG 4.2Å; K994-F996 VanDerWaalsContact O-CE1 3.23Å; K994-F996 WeakPolarHBondContact O-CE1 3.38Å; F996-E1011 HydrophobicContact CE1-CB 4.19Å; F996-E1011 HydrophobicContact CZ-CB 4.3Å; F996-D1593 HydrophobicContact CB-CB 4.09Å; F996-D1593 VanDerWaalsContact CD2-CA 3.47Å; F996-D1593 HydrophobicContact CD2-CB 3.52Å; F996-D1593 WeakPolarHBondContact CD2-OD1 3.47Å; F996-D1593 HydrophobicContact CE2-CB 4.44Å; F996-D1593 HydrophobicContact CG-CB 4.28Å; F996-D1593 CarbonylContact O-C 3.3Å; F996-D1593 WeakPolarHBondContact O-CB 3.44Å; F996-D1594 WeakPolarHBondContact CA-OD2 3.29Å; F996-D1594 PolarHBondContact N-OD1 3.39Å; F996-D1594 PolarHBondContact N-OD2 2.97Å; F996-D1594 WeakPolarHBondContact O-CA 3.2Å; F996-D1594 WeakPolarHBondContact O-CB 3.19Å; F996-D1594 PolarHBondContact O-N 3Å; F996-D1595 VanDerWaalsContact CZ-OD1 3.25Å; F996-D1595 WeakPolarHBondContact CZ-OD1 3.3Å | ||
| 997 | S | 92.9 | Very high | 88.5 | Confident | 44 Ų | 44 | 44.9 Ų | 44.9 | 31% | 0.308 | 26% | 0.256 | S | S | . | . | B | Isolated β-bridge | trans | -81.1 | 131.5 | -156.9 | 65.7 | 0 | 0 | 0 | 0 | 126.3 | G999 D1593 D1594 | S997-G999 VanDerWaalsContact C-N 3.32Å; S997-G999 PolarHBondContact O-N 3.04Å; S997-D1593 WeakPolarHBondContact O-CB 3.3Å; S997-D1594 VanDerWaalsContact CA-CB 3.5Å; S997-D1594 WeakPolarHBondContact CA-OD2 2.96Å; S997-D1594 PolarHBondContact N-OD2 3.05Å |
| 998 | I | 91.6 | Very high | 88.9 | Confident | 31 Ų | 31 | 46.7 Ų | 46.7 | 16% | 0.159 | 26% | 0.263 | C | S | . | . | trans | -64.6 | -33.1 | 178 | 44 | -175.9 | 0 | 0 | 0 | 113.2 | I1007 A1209 W1213 D1593 D1594 D1595 | I998-I1007 HydrophobicContact CD1-CB 4.07Å; I998-I1007 HydrophobicContact CD1-CD1 4.12Å; I998-I1007 HydrophobicContact CD1-CG2 3.97Å; I998-I1007 HydrophobicContact CG1-CB 4.08Å; I998-I1007 HydrophobicContact CG1-CG2 4.4Å; I998-A1209 HydrophobicContact CB-CB 4.1Å; I998-A1209 HydrophobicContact CD1-CB 3.34Å; I998-A1209 HydrophobicContact CG1-CB 3.71Å; I998-W1213 HydrophobicContact CG2-CB 3.71Å; I998-W1213 HydrophobicContact CG2-CG 4.04Å; I998-D1593 WeakPolarHBondContact CG2-O 3.19Å; I998-D1594 WeakPolarHBondContact CA-O 3.15Å; I998-D1594 WeakPolarHBondContact CB-O 3.27Å; I998-D1594 WeakPolarHBondContact CD1-O 3.28Å; I998-D1594 WeakPolarHBondContact CG1-O 3.04Å; I998-D1594 WeakPolarHBondContact CG2-O 3.38Å; I998-D1594 PolarHBondContact N-O 2.83Å; I998-D1595 VanDerWaalsContact CD1-O 3.29Å; I998-D1595 WeakPolarHBondContact CD1-O 3.25Å | ||
| 999 | G | 92.1 | Very high | 89.5 | Confident | 14 Ų | 14 | 45 Ų | 45 | 14% | 0.144 | 25% | 0.253 | C | S | . | . | trans | 150.4 | 165.8 | -132.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | S997 I1007 | S997-G999 VanDerWaalsContact C-N 3.32Å; S997-G999 PolarHBondContact O-N 3.04Å; G999-I1007 PolarHBondContact O-N 3.13Å | ||
| 1000 | H | 93.2 | Very high | 90.3 | Very high | 90 Ų | 90 | 41.1 Ų | 41.1 | 42% | 0.417 | 22% | 0.221 | S | C | . | . | B | Isolated β-bridge | trans | -133.2 | 149.2 | -161.1 | -63 | 61.8 | 0 | 0 | 0 | 109 | R1005 P1205 | H1000-R1005 CarbonylContact C-O 3.56Å; H1000-R1005 WeakPolarHBondContact CA-O 3.31Å; H1000-P1205 WeakPolarHBondContact O-CB 3.22Å |
| 1001 | S | 94.3 | Very high | 90.9 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 4% | 0.035 | 20% | 0.202 | C | C | . | . | trans | -62.9 | 172.5 | 173.2 | 71.1 | 0 | 0 | 0 | 0 | 112.5 | L1003 G1004 R1005 D1115 E1206 | S1001-L1003 PolarHBondContact O-N 2.97Å; S1001-L1003 PolarHBondContact OG-N 2.96Å; S1001-G1004 PolarHBondContact O-N 3.1Å; S1001-G1004 PolarHBondContact OG-N 3.04Å; S1001-R1005 PolarHBondContact N-O 2.88Å; S1001-R1005 WeakPolarHBondContact OG-CB 2.91Å; S1001-R1005 PolarHBondContact OG-N 3.27Å; S1001-D1115 VanDerWaalsContact CB-CG 3.41Å; S1001-D1115 WeakPolarHBondContact CB-OD1 3.35Å; S1001-D1115 WeakPolarHBondContact CB-OD2 3.35Å; S1001-D1115 PolarHBondContact OG-OD1 3.42Å; S1001-D1115 PolarHBondContact OG-OD2 3.2Å; S1001-D1115 VanDerWaalsContact OG-OD2 3.13Å; S1001-E1206 WeakPolarHBondContact CA-OE1 3.42Å; S1001-E1206 WeakPolarHBondContact CB-OE1 2.93Å | ||
| 1002 | H | 90.4 | Very high | 91.3 | Very high | 95 Ų | 95 | 34.7 Ų | 34.7 | 44% | 0.44 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -35.8 | 173.7 | -175.4 | 76 | 0 | 0 | 0 | 113.3 | G1004 D1115 A1166 E1206 | H1002-G1004 VanDerWaalsContact C-N 3.35Å; H1002-D1115 PolarHBondContact N-OD2 2.64Å; H1002-A1166 HydrophobicContact CB-CB 4.48Å; H1002-E1206 PolarHBondContact N-OE1 2.77Å |
| 1003 | L | 91.6 | Very high | 91.4 | Very high | 108 Ų | 108 | 34.7 Ų | 34.7 | 57% | 0.565 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 14.9 | 176.2 | -58.2 | 173.1 | 0 | 0 | 0 | 113.7 | S1001 D1115 | S1001-L1003 PolarHBondContact O-N 2.97Å; S1001-L1003 PolarHBondContact OG-N 2.96Å; L1003-D1115 VanDerWaalsContact CB-OD2 3.26Å; L1003-D1115 WeakPolarHBondContact CB-OD2 3.5Å; L1003-D1115 HydrophobicContact CD1-CB 4.4Å; L1003-D1115 WeakPolarHBondContact CG-OD2 3.41Å; L1003-D1115 PolarHBondContact N-OD2 2.67Å |
| 1004 | G | 89.3 | Confident | 90.5 | Very high | 46 Ų | 46 | 35.3 Ų | 35.3 | 47% | 0.474 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 77 | 22.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | S1001 H1002 | S1001-G1004 PolarHBondContact O-N 3.1Å; S1001-G1004 PolarHBondContact OG-N 3.04Å; H1002-G1004 VanDerWaalsContact C-N 3.35Å |
| 1005 | R | 91.5 | Very high | 89.5 | Confident | 72 Ų | 72 | 37.9 Ų | 37.9 | 27% | 0.272 | 20% | 0.199 | S | C | . | . | P | Polyproline II helix | trans | -82.5 | 132 | 170.8 | -63.6 | -179.5 | 173.1 | 64.5 | 20.5 | 109.6 | H1000 S1001 P1114 D1115 | H1000-R1005 CarbonylContact C-O 3.56Å; H1000-R1005 WeakPolarHBondContact CA-O 3.31Å; S1001-R1005 PolarHBondContact N-O 2.88Å; S1001-R1005 WeakPolarHBondContact OG-CB 2.91Å; S1001-R1005 PolarHBondContact OG-N 3.27Å; R1005-P1114 HydrophobicContact CB-CB 4.32Å; R1005-P1114 HydrophobicContact CB-CG 4.06Å; R1005-D1115 WeakPolarHBondContact CD-OD1 3.47Å; R1005-D1115 IonicContact CZ-OD1 2.72Å; R1005-D1115 IonicContact NE-OD1 3.78Å; R1005-D1115 IonicContact NH1-OD1 2.63Å; R1005-D1115 PolarHBondContact NH1-OD1 2.75Å |
| 1006 | P | 92.8 | Very high | 88.5 | Confident | 33 Ų | 33 | 40 Ų | 40 | 21% | 0.214 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -55.9 | 143.3 | 165.3 | 24.6 | -33 | 0 | 0 | 0 | 110.4 | Y1008 | P1006-Y1008 HydrophobicContact CB-CD2 4.43Å; P1006-Y1008 HydrophobicContact CB-CE1 4.39Å; P1006-Y1008 HydrophobicContact CB-CE2 3.89Å; P1006-Y1008 HydrophobicContact CG-CD2 4.44Å; P1006-Y1008 HydrophobicContact CG-CE2 3.53Å; P1006-Y1008 WeakPolarHBondContact CG-OH 3.37Å |
| 1007 | I | 93.6 | Very high | 87.2 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -95.1 | 138.9 | 167.7 | -66.2 | 164.9 | 0 | 0 | 0 | 106 | I998 G999 P1114 E1206 D1594 N1596 | I998-I1007 HydrophobicContact CD1-CB 4.07Å; I998-I1007 HydrophobicContact CD1-CD1 4.12Å; I998-I1007 HydrophobicContact CD1-CG2 3.97Å; I998-I1007 HydrophobicContact CG1-CB 4.08Å; I998-I1007 HydrophobicContact CG1-CG2 4.4Å; G999-I1007 PolarHBondContact O-N 3.13Å; I1007-P1114 HydrophobicContact CG1-CG 4.13Å; I1007-E1206 HydrophobicContact CD1-CB 4Å; I1007-E1206 HydrophobicContact CD1-CG 4.06Å; I1007-D1594 VanDerWaalsContact O-CB 3.27Å; I1007-D1594 WeakPolarHBondContact O-CB 2.89Å; I1007-N1596 HydrophobicContact CG2-CB 4.35Å; I1007-N1596 WeakPolarHBondContact CG2-ND2 3.31Å |
| 1008 | Y | 94.5 | Very high | 85.6 | Confident | 52 Ų | 52 | 40.4 Ų | 40.4 | 20% | 0.204 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 152.5 | -174.3 | -64.8 | -84.5 | 0 | 0 | 0 | 113.7 | Y981 M995 P1006 D1594 | Y981-Y1008 AromaticContact CD1-CD2 3.74Å; Y981-Y1008 HydrophobicContact CD1-CD2 3.74Å; Y981-Y1008 HydrophobicContact CD1-CG 4.15Å; Y981-Y1008 AromaticContact CD2-CD2 3.86Å; Y981-Y1008 HydrophobicContact CD2-CD2 3.86Å; Y981-Y1008 HydrophobicContact CD2-CE2 4.08Å; Y981-Y1008 AromaticContact CE1-CD2 3.64Å; Y981-Y1008 HydrophobicContact CE1-CD2 3.64Å; Y981-Y1008 HydrophobicContact CE1-CG 4.11Å; Y981-Y1008 AromaticContact CE2-CD2 3.74Å; Y981-Y1008 HydrophobicContact CE2-CD2 3.74Å; Y981-Y1008 HydrophobicContact CE2-CE2 4.16Å; Y981-Y1008 AromaticContact CG-CD2 3.85Å; Y981-Y1008 HydrophobicContact CG-CD2 3.85Å; Y981-Y1008 HydrophobicContact CG-CE2 4.3Å; Y981-Y1008 AromaticContact CZ-CD2 3.61Å; M995-Y1008 HydrophobicContact CE-CD1 3.3Å; M995-Y1008 HydrophobicContact CE-CD2 3.9Å; M995-Y1008 HydrophobicContact CE-CE1 3.84Å; M995-Y1008 HydrophobicContact CE-CE2 4.32Å; M995-Y1008 HydrophobicContact CE-CG 3.36Å; M995-Y1008 HydrophobicContact CG-CD1 3.57Å; M995-Y1008 HydrophobicContact CG-CE1 4.26Å; M995-Y1008 HydrophobicContact CG-CG 4.32Å; M995-Y1008 HydrophobicContact SD-CD1 4.12Å; P1006-Y1008 HydrophobicContact CB-CD2 4.43Å; P1006-Y1008 HydrophobicContact CB-CE1 4.39Å; P1006-Y1008 HydrophobicContact CB-CE2 3.89Å; P1006-Y1008 HydrophobicContact CG-CD2 4.44Å; P1006-Y1008 HydrophobicContact CG-CE2 3.53Å; P1006-Y1008 WeakPolarHBondContact CG-OH 3.37Å; Y1008-D1594 VanDerWaalsContact CA-CG 3.48Å; Y1008-D1594 WeakPolarHBondContact CD1-OD2 3.36Å |
| 1009 | A | 93.6 | Very high | 83.7 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | -155.8 | 160.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | M984 M995 T1107 I1108 I1109 D1594 D1595 | M984-A1009 WeakPolarHBondContact CE-O 3.33Å; M995-A1009 WeakPolarHBondContact CB-O 3.48Å; M995-A1009 WeakPolarHBondContact CG-O 3.12Å; A1009-T1107 HydrophobicContact CB-CG2 4.27Å; A1009-I1108 VanDerWaalsContact CB-O 3.31Å; A1009-I1108 WeakPolarHBondContact CB-O 3.24Å; A1009-I1109 HydrophobicContact CB-CB 4.07Å; A1009-I1109 HydrophobicContact CB-CD1 3.18Å; A1009-I1109 HydrophobicContact CB-CG1 3.64Å; A1009-I1109 HydrophobicContact CB-CG2 4.45Å; A1009-D1594 PolarHBondContact N-OD1 2.69Å; A1009-D1595 WeakPolarHBondContact CA-OD2 3.23Å; A1009-D1595 HydrophobicContact CB-CB 3.17Å; A1009-D1595 VanDerWaalsContact CB-OD2 3.25Å; A1009-D1595 WeakPolarHBondContact CB-OD2 3.14Å; A1009-D1595 PolarHBondContact N-OD2 3Å |
| 1010 | F | 93.9 | Very high | 81.8 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 105.4 | -172.9 | -160.9 | -90.2 | 0 | 0 | 0 | 111 | M984 H987 T988 C992 G993 K994 I1012 L1084 T1107 I1108 | M984-F1010 HydrophobicContact CB-CD2 4.22Å; M984-F1010 VanDerWaalsContact O-CE2 3.3Å; M984-F1010 WeakPolarHBondContact O-CE2 3.45Å; H987-F1010 HydrophobicContact CB-CE2 3.62Å; H987-F1010 HydrophobicContact CB-CZ 3.61Å; T988-F1010 WeakPolarHBondContact OG1-CE2 2.91Å; C992-F1010 HydrophobicContact CB-CE1 4.29Å; C992-F1010 HydrophobicContact CB-CZ 3.91Å; G993-F1010 VanDerWaalsContact CA-CE1 3.42Å; G993-F1010 VanDerWaalsContact CA-CZ 3.42Å; K994-F1010 CarbonylContact O-C 3.24Å; K994-F1010 WeakPolarHBondContact O-CA 3.35Å; F1010-I1012 HydrophobicContact CD1-CB 3.96Å; F1010-I1012 HydrophobicContact CE1-CB 3.97Å; F1010-I1012 HydrophobicContact CE1-CD1 4.4Å; F1010-I1012 HydrophobicContact CE1-CG1 4.27Å; F1010-I1012 PolarHBondContact O-N 2.63Å; F1010-L1084 HydrophobicContact CB-CD2 3.86Å; F1010-L1084 HydrophobicContact CD1-CD1 3.34Å; F1010-L1084 HydrophobicContact CD1-CD2 3.91Å; F1010-L1084 HydrophobicContact CD1-CG 4.26Å; F1010-L1084 HydrophobicContact CD2-CD2 4Å; F1010-L1084 HydrophobicContact CE1-CD1 3.57Å; F1010-L1084 HydrophobicContact CE1-CD2 4.44Å; F1010-L1084 HydrophobicContact CG-CD1 3.99Å; F1010-L1084 HydrophobicContact CG-CD2 3.65Å; F1010-L1084 HydrophobicContact CG-CG 4.48Å; F1010-L1084 HydrophobicContact CZ-CD1 4.38Å; F1010-T1107 CarbonylContact O-C 3.54Å; F1010-T1107 WeakPolarHBondContact O-CA 3.18Å; F1010-I1108 PolarHBondContact N-O 2.83Å; F1010-I1108 PolarHBondContact O-N 3.07Å |
| 1011 | E | 90.9 | Very high | 79.4 | Confident | 9 Ų | 9 | 48.3 Ų | 48.3 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 109.8 | 172.9 | -157.7 | 163.8 | 134.6 | 0 | 0 | 109.8 | G993 K994 F996 Y1016 I1105 T1107 Y1217 | G993-E1011 CarbonylContact C-O 3.53Å; G993-E1011 WeakPolarHBondContact CA-O 3.41Å; K994-E1011 PolarHBondContact N-O 2.61Å; K994-E1011 PolarHBondContact O-N 3.3Å; F996-E1011 HydrophobicContact CE1-CB 4.19Å; F996-E1011 HydrophobicContact CZ-CB 4.3Å; E1011-Y1016 HydrophobicContact CB-CD2 4.17Å; E1011-Y1016 HydrophobicContact CB-CE2 4.17Å; E1011-Y1016 VanDerWaalsContact CD-CE2 3.49Å; E1011-Y1016 HydrophobicContact CG-CD2 3.83Å; E1011-Y1016 HydrophobicContact CG-CE2 3.5Å; E1011-Y1016 VanDerWaalsContact CG-CE2 3.5Å; E1011-Y1016 WeakPolarHBondContact O-CB 3.2Å; E1011-Y1016 WeakPolarHBondContact OE1-CE2 3.45Å; E1011-Y1016 PolarHBondContact OE1-OH 3.36Å; E1011-I1105 HydrophobicContact CG-CG2 3.52Å; E1011-I1105 WeakPolarHBondContact OE1-CG2 3.31Å; E1011-T1107 HydrophobicContact CB-CG2 3.97Å; E1011-T1107 HydrophobicContact CG-CG2 4.3Å; E1011-Y1217 WeakPolarHBondContact OE2-CE2 3.18Å |
| 1012 | I | 89.5 | Confident | 76.7 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 138.6 | 179.3 | -166.1 | 176.7 | 0 | 0 | 0 | 108.5 | C992 F1010 T1017 L1084 L1087 L1101 I1106 I1108 | C992-I1012 WeakPolarHBondContact O-CG1 3.44Å; C992-I1012 VanDerWaalsContact SG-CD1 3.56Å; F1010-I1012 HydrophobicContact CD1-CB 3.96Å; F1010-I1012 HydrophobicContact CE1-CB 3.97Å; F1010-I1012 HydrophobicContact CE1-CD1 4.4Å; F1010-I1012 HydrophobicContact CE1-CG1 4.27Å; F1010-I1012 PolarHBondContact O-N 2.63Å; I1012-T1017 HydrophobicContact CG1-CG2 4.48Å; I1012-T1017 WeakPolarHBondContact CG1-OG1 3.4Å; I1012-L1084 HydrophobicContact CD1-CD1 4.15Å; I1012-L1087 HydrophobicContact CD1-CB 3.93Å; I1012-L1101 HydrophobicContact CB-CD2 4.5Å; I1012-L1101 HydrophobicContact CD1-CD1 3.58Å; I1012-L1101 HydrophobicContact CD1-CD2 3.81Å; I1012-L1101 HydrophobicContact CD1-CG 4.33Å; I1012-L1101 HydrophobicContact CG1-CD1 3.97Å; I1012-L1101 HydrophobicContact CG1-CD2 3.8Å; I1012-L1101 HydrophobicContact CG1-CG 4.44Å; I1012-L1101 HydrophobicContact CG2-CD2 4.06Å; I1012-I1106 HydrophobicContact CG2-CB 3.79Å; I1012-I1106 HydrophobicContact CG2-CD1 4.38Å; I1012-I1106 VanDerWaalsContact CG2-O 3.28Å; I1012-I1106 WeakPolarHBondContact CG2-O 3.25Å; I1012-I1106 PolarHBondContact N-O 3.41Å; I1012-I1106 PolarHBondContact O-N 3.08Å; I1012-I1108 HydrophobicContact CG2-CD1 4.28Å; I1012-I1108 HydrophobicContact CG2-CG1 4.5Å |
| 1013 | G | 83.8 | Confident | 74.5 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 144.3 | -170.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | K1015 Y1016 T1017 L1101 | G1013-K1015 PolarHBondContact O-N 3.07Å; G1013-Y1016 PolarHBondContact O-N 3.21Å; G1013-T1017 PolarHBondContact N-OG1 2.76Å; G1013-T1017 WeakPolarHBondContact O-CB 3.37Å; G1013-T1017 PolarHBondContact O-N 3.07Å; G1013-T1017 VanDerWaalsContact O-N 3.08Å; G1013-T1017 PolarHBondContact O-OG1 2.77Å; G1013-L1101 CarbonylContact C-O 3.37Å; G1013-L1101 VanDerWaalsContact C-O 3.23Å; G1013-L1101 VanDerWaalsContact CA-O 3.24Å; G1013-L1101 WeakPolarHBondContact CA-O 3.39Å |
| 1014 | P | 71.5 | Confident | 71.8 | Confident | 18 Ų | 18 | 49.5 Ų | 49.5 | 12% | 0.117 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | 68.7 | -171.7 | 31.3 | -37.2 | 0 | 0 | 0 | 113.1 | I1060 L1101 A1104 I1105 | P1014-I1060 HydrophobicContact CB-CD1 4.45Å; P1014-I1060 HydrophobicContact CG-CD1 3.87Å; P1014-I1060 HydrophobicContact CG-CG2 3.83Å; P1014-L1101 VanDerWaalsContact CD-O 3.23Å; P1014-L1101 WeakPolarHBondContact CD-O 3.27Å; P1014-A1104 WeakPolarHBondContact CD-O 3.33Å; P1014-I1105 HydrophobicContact CG-CG1 4.16Å |
| 1015 | K | 67.7 | Low | 69.4 | Low | 126 Ų | 126 | 51.7 Ų | 51.7 | 55% | 0.548 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -177.8 | -39 | 172.1 | -109.7 | 160.9 | -173.8 | 164.5 | 0 | 112 | G1013 M1057 | G1013-K1015 PolarHBondContact O-N 3.07Å; K1015-M1057 WeakPolarHBondContact CE-SD 3.46Å; K1015-M1057 HydrophobicContact CG-CE 4.37Å |
| 1016 | Y | 68 | Low | 66.7 | Low | 68 Ų | 68 | 50.5 Ų | 50.5 | 27% | 0.267 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -32.4 | -169.9 | -42.3 | -80.7 | 0 | 0 | 0 | 111.5 | S991 K994 E1011 G1013 T1018 I1105 | S991-Y1016 VanDerWaalsContact O-O 3.08Å; K994-Y1016 HydrophobicContact CB-CD1 3.87Å; K994-Y1016 HydrophobicContact CB-CG 4.29Å; K994-Y1016 HydrophobicContact CD-CD1 4.22Å; K994-Y1016 HydrophobicContact CD-CE1 4.24Å; K994-Y1016 HydrophobicContact CG-CD1 4.5Å; E1011-Y1016 HydrophobicContact CB-CD2 4.17Å; E1011-Y1016 HydrophobicContact CB-CE2 4.17Å; E1011-Y1016 VanDerWaalsContact CD-CE2 3.49Å; E1011-Y1016 HydrophobicContact CG-CD2 3.83Å; E1011-Y1016 HydrophobicContact CG-CE2 3.5Å; E1011-Y1016 VanDerWaalsContact CG-CE2 3.5Å; E1011-Y1016 WeakPolarHBondContact O-CB 3.2Å; E1011-Y1016 WeakPolarHBondContact OE1-CE2 3.45Å; E1011-Y1016 PolarHBondContact OE1-OH 3.36Å; G1013-Y1016 PolarHBondContact O-N 3.21Å; Y1016-T1018 PolarHBondContact O-N 3.27Å; Y1016-I1105 HydrophobicContact CE2-CG2 4.3Å |
| 1017 | T | 64.9 | Low | 63.7 | Low | 14 Ų | 14 | 53.7 Ų | 53.7 | 9% | 0.086 | 27% | 0.273 | C | S | . | . | trans | -75.9 | 110.1 | 173.7 | -50.8 | 0 | 0 | 0 | 0 | 109.7 | C992 I1012 G1013 L1019 R1091 L1101 | C992-T1017 WeakPolarHBondContact O-CA 3.21Å; C992-T1017 VanDerWaalsContact O-CB 3.23Å; C992-T1017 WeakPolarHBondContact O-CB 3.36Å; C992-T1017 WeakPolarHBondContact O-CG2 3.15Å; C992-T1017 PolarHBondContact O-OG1 2.89Å; I1012-T1017 HydrophobicContact CG1-CG2 4.48Å; I1012-T1017 WeakPolarHBondContact CG1-OG1 3.4Å; G1013-T1017 PolarHBondContact N-OG1 2.76Å; G1013-T1017 WeakPolarHBondContact O-CB 3.37Å; G1013-T1017 PolarHBondContact O-N 3.07Å; G1013-T1017 VanDerWaalsContact O-N 3.08Å; G1013-T1017 PolarHBondContact O-OG1 2.77Å; T1017-L1019 HydrophobicContact CG2-CD2 3.52Å; T1017-L1019 HydrophobicContact CG2-CG 3.79Å; T1017-L1019 PolarHBondContact O-N 3.08Å; T1017-R1091 HydrophobicContact CG2-CB 4.4Å; T1017-R1091 HydrophobicContact CG2-CG 4.49Å; T1017-L1101 HydrophobicContact CG2-CD1 4.35Å | ||
| 1018 | T | 58.7 | Low | 60.7 | Low | 67 Ų | 67 | 60.1 Ų | 60.1 | 41% | 0.411 | 31% | 0.312 | S | S | . | . | trans | -66.1 | 85.2 | 155.2 | 57 | 0 | 0 | 0 | 0 | 108.1 | S991 Y1016 E1020 R1091 | S991-T1018 WeakPolarHBondContact CB-OG1 3.49Å; S991-T1018 WeakPolarHBondContact O-CB 3.28Å; S991-T1018 PolarHBondContact O-N 2.73Å; S991-T1018 PolarHBondContact O-OG1 2.79Å; Y1016-T1018 PolarHBondContact O-N 3.27Å; T1018-E1020 VanDerWaalsContact C-N 3.32Å; T1018-E1020 PolarHBondContact O-N 3.44Å; T1018-E1020 VanDerWaalsContact O-N 3.08Å; T1018-R1091 PolarHBondContact O-NE 2.98Å | ||
| 1019 | L | 52 | Low | 57.5 | Low | 33 Ų | 33 | 61.4 Ų | 61.4 | 17% | 0.173 | 33% | 0.329 | C | S | . | . | trans | -68.4 | 96.9 | 161.9 | -65.2 | 175.6 | 0 | 0 | 0 | 106.1 | T1017 F1021 R1091 L1101 N1102 | T1017-L1019 HydrophobicContact CG2-CD2 3.52Å; T1017-L1019 HydrophobicContact CG2-CG 3.79Å; T1017-L1019 PolarHBondContact O-N 3.08Å; L1019-F1021 VanDerWaalsContact C-N 3.28Å; L1019-F1021 PolarHBondContact O-N 2.8Å; L1019-R1091 HydrophobicContact CD2-CB 3.9Å; L1019-R1091 HydrophobicContact CD2-CG 4.37Å; L1019-R1091 WeakPolarHBondContact CD2-O 3.3Å; L1019-L1101 HydrophobicContact CD2-CB 4.23Å; L1019-N1102 HydrophobicContact CD1-CB 4Å | ||
| 1020 | E | 52.8 | Low | 54.4 | Low | 124 Ų | 124 | 65.9 Ų | 65.9 | 58% | 0.579 | 36% | 0.356 | S | S | * | . | trans | -70.7 | 92.1 | 175 | -59.4 | -172.4 | 131.3 | 0 | 0 | 107.8 | T1018 N1022 N1092 | T1018-E1020 VanDerWaalsContact C-N 3.32Å; T1018-E1020 PolarHBondContact O-N 3.44Å; T1018-E1020 VanDerWaalsContact O-N 3.08Å; E1020-N1022 VanDerWaalsContact C-N 3.26Å; E1020-N1022 PolarHBondContact O-N 3.43Å; E1020-N1092 WeakPolarHBondContact CB-ND2 3.47Å; E1020-N1092 PolarHBondContact N-OD1 2.91Å | ||
| 1021 | F | 41.9 | Very low | 51.4 | Low | 144 Ų | 144 | 72.8 Ų | 72.8 | 63% | 0.632 | 40% | 0.398 | S | S | * | . | trans | -55.4 | 99.1 | 159.5 | -108.6 | -87 | 0 | 0 | 0 | 107.2 | L1019 A1023 F1044 H1098 | L1019-F1021 VanDerWaalsContact C-N 3.28Å; L1019-F1021 PolarHBondContact O-N 2.8Å; F1021-A1023 PolarHBondContact O-N 3.44Å; F1021-F1044 HydrophobicContact CZ-CZ 4.25Å; F1021-H1098 AromaticContact CD2-CE1 3.93Å; F1021-H1098 AromaticContact CE2-CE1 3.64Å; F1021-H1098 AromaticContact CE2-NE2 3.35Å; F1021-H1098 VanDerWaalsContact CE2-NE2 3.35Å; F1021-H1098 WeakPolarHBondContact CE2-NE2 3.39Å; F1021-H1098 AromaticContact CZ-NE2 3.91Å | ||
| 1022 | N | 37.4 | Very low | 48.4 | Very low | 101 Ų | 101 | 78 Ų | 78 | 54% | 0.54 | 43% | 0.431 | S | S | . | . | trans | -77 | 66.7 | -170.7 | -166.2 | -21.5 | 0 | 0 | 0 | 110.4 | E1020 D1024 S1025 | E1020-N1022 VanDerWaalsContact C-N 3.26Å; E1020-N1022 PolarHBondContact O-N 3.43Å; N1022-D1024 PolarHBondContact O-N 2.91Å; N1022-D1024 VanDerWaalsContact O-N 3.08Å; N1022-D1024 PolarHBondContact OD1-N 3.31Å; N1022-S1025 WeakPolarHBondContact O-CB 3.48Å; N1022-S1025 PolarHBondContact O-N 3.21Å; N1022-S1025 VanDerWaalsContact O-N 3.08Å; N1022-S1025 PolarHBondContact O-OG 3.09Å; N1022-S1025 PolarHBondContact OD1-N 3.13Å | ||
| 1023 | A | 43.6 | Very low | 45.8 | Very low | 33 Ų | 33 | 84.9 Ų | 84.9 | 27% | 0.273 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -4.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1021 L1026 K1027 | F1021-A1023 PolarHBondContact O-N 3.44Å; A1023-L1026 WeakPolarHBondContact O-CB 3.46Å; A1023-L1026 PolarHBondContact O-N 2.93Å; A1023-K1027 WeakPolarHBondContact O-CE 3.36Å; A1023-K1027 VanDerWaalsContact O-CG 3.29Å; A1023-K1027 WeakPolarHBondContact O-CG 3.28Å; A1023-K1027 PolarHBondContact O-N 2.75Å; A1023-K1027 VanDerWaalsContact O-N 3.12Å |
| 1024 | D | 36.1 | Very low | 43.4 | Very low | 99 Ų | 99 | 92.7 Ų | 92.7 | 53% | 0.529 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -85.4 | -14.8 | 173.8 | -70.6 | 1.9 | 0 | 0 | 0 | 112.1 | N1022 L1026 K1027 | N1022-D1024 PolarHBondContact O-N 2.91Å; N1022-D1024 VanDerWaalsContact O-N 3.08Å; N1022-D1024 PolarHBondContact OD1-N 3.31Å; D1024-L1026 PolarHBondContact O-N 3.46Å; D1024-K1027 PolarHBondContact O-N 3.45Å; D1024-K1027 WeakPolarHBondContact OD1-CD 3.44Å; D1024-K1027 VanDerWaalsContact OD1-CE 3.23Å; D1024-K1027 WeakPolarHBondContact OD1-CE 3.47Å; D1024-K1027 IonicContact OD1-NZ 3.93Å; D1024-K1027 PolarHBondContact OD1-NZ 2.82Å |
| 1025 | S | 38.6 | Very low | 41.6 | Very low | 91 Ų | 91 | 98.5 Ų | 98.5 | 64% | 0.636 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.3 | -19.4 | 159.1 | 70.2 | 0 | 0 | 0 | 0 | 113.4 | N1022 | N1022-S1025 WeakPolarHBondContact O-CB 3.48Å; N1022-S1025 PolarHBondContact O-N 3.21Å; N1022-S1025 VanDerWaalsContact O-N 3.08Å; N1022-S1025 PolarHBondContact O-OG 3.09Å; N1022-S1025 PolarHBondContact OD1-N 3.13Å |
| 1026 | L | 35 | Very low | 39.8 | Very low | 47 Ų | 47 | 95.5 Ų | 95.5 | 25% | 0.246 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -92 | -43.5 | 170.2 | -68.1 | 47.4 | 0 | 0 | 0 | 112.1 | A1023 D1024 T1028 S1029 N1661 | A1023-L1026 WeakPolarHBondContact O-CB 3.46Å; A1023-L1026 PolarHBondContact O-N 2.93Å; D1024-L1026 PolarHBondContact O-N 3.46Å; L1026-T1028 PolarHBondContact O-N 3.09Å; L1026-T1028 VanDerWaalsContact O-N 3.07Å; L1026-S1029 PolarHBondContact O-OG 3.41Å; L1026-N1661 WeakPolarHBondContact CD1-OD1 3.2Å; L1026-N1661 HydrophobicContact CD2-CB 3.71Å; L1026-N1661 VanDerWaalsContact CD2-CG 3.43Å; L1026-N1661 HydrophobicContact CG-CB 4.24Å; L1026-N1661 WeakPolarHBondContact CG-OD1 3.41Å |
| 1027 | K | 30.4 | Very low | 37.8 | Very low | 101 Ų | 101 | 94.8 Ų | 94.8 | 44% | 0.439 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -74.4 | 1.1 | -161.3 | -75.6 | 177.3 | -128.7 | 146.9 | 0 | 115.5 | A1023 D1024 S1029 T1030 | A1023-K1027 WeakPolarHBondContact O-CE 3.36Å; A1023-K1027 VanDerWaalsContact O-CG 3.29Å; A1023-K1027 WeakPolarHBondContact O-CG 3.28Å; A1023-K1027 PolarHBondContact O-N 2.75Å; A1023-K1027 VanDerWaalsContact O-N 3.12Å; D1024-K1027 PolarHBondContact O-N 3.45Å; D1024-K1027 WeakPolarHBondContact OD1-CD 3.44Å; D1024-K1027 VanDerWaalsContact OD1-CE 3.23Å; D1024-K1027 WeakPolarHBondContact OD1-CE 3.47Å; D1024-K1027 IonicContact OD1-NZ 3.93Å; D1024-K1027 PolarHBondContact OD1-NZ 2.82Å; K1027-S1029 PolarHBondContact O-N 2.67Å; K1027-T1030 HydrophobicContact CB-CG2 3.79Å; K1027-T1030 HydrophobicContact CG-CG2 3.81Å; K1027-T1030 WeakPolarHBondContact O-CB 3.16Å; K1027-T1030 WeakPolarHBondContact O-CG2 3.19Å; K1027-T1030 PolarHBondContact O-N 3.12Å; K1027-T1030 VanDerWaalsContact O-N 3.15Å; K1027-T1030 PolarHBondContact O-OG1 3.33Å |
| 1028 | T | 29.9 | Very low | 36 | Very low | 135 Ų | 135 | 101.2 Ų | 101.2 | 83% | 0.828 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -0.1 | 168.5 | 50.3 | 0 | 0 | 0 | 0 | 114 | L1026 | L1026-T1028 PolarHBondContact O-N 3.09Å; L1026-T1028 VanDerWaalsContact O-N 3.07Å |
| 1029 | S | 28.3 | Very low | 34.6 | Very low | 80 Ų | 80 | 103 Ų | 103 | 56% | 0.559 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.9 | 34.4 | 169.3 | 62.7 | 0 | 0 | 0 | 0 | 114.9 | L1026 K1027 | L1026-S1029 PolarHBondContact O-OG 3.41Å; K1027-S1029 PolarHBondContact O-N 2.67Å |
| 1030 | T | 28 | Very low | 33.4 | Very low | 93 Ų | 93 | 104.7 Ų | 104.7 | 57% | 0.571 | 58% | 0.584 | S | S | * | * | trans | -100.6 | 104.3 | -175.4 | 47.5 | 0 | 0 | 0 | 0 | 115.6 | K1027 | K1027-T1030 HydrophobicContact CB-CG2 3.79Å; K1027-T1030 HydrophobicContact CG-CG2 3.81Å; K1027-T1030 WeakPolarHBondContact O-CB 3.16Å; K1027-T1030 WeakPolarHBondContact O-CG2 3.19Å; K1027-T1030 PolarHBondContact O-N 3.12Å; K1027-T1030 VanDerWaalsContact O-N 3.15Å; K1027-T1030 PolarHBondContact O-OG1 3.33Å | ||
| 1031 | T | 30.6 | Very low | 32.3 | Very low | 145 Ų | 145 | 104.7 Ų | 104.7 | 89% | 0.89 | 58% | 0.583 | S | S | * | * | trans | -150.4 | 30.2 | 159 | 26.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1032 | T | 28.3 | Very low | 31.7 | Very low | 119 Ų | 119 | 104.6 Ų | 104.6 | 73% | 0.73 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -138.7 | 139.2 | 170.8 | 41.9 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1033 | N | 33.3 | Very low | 31.1 | Very low | 144 Ų | 144 | 105 Ų | 105 | 77% | 0.77 | 58% | 0.584 | S | S | * | * | trans | -33.6 | 136.7 | -170.2 | -75.2 | -46.4 | 0 | 0 | 0 | 118.9 | N1035 | N1033-N1035 PolarHBondContact O-N 3.26Š| ||
| 1034 | L | 35 | Very low | 30.3 | Very low | 165 Ų | 165 | 107.4 Ų | 107.4 | 86% | 0.864 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -3.7 | -175.3 | -154.7 | 70.5 | 0 | 0 | 0 | 116.6 | ||
| 1035 | N | 33 | Very low | 29.8 | Very low | 140 Ų | 140 | 107.5 Ų | 107.5 | 75% | 0.749 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | 10.1 | -170.7 | -74.1 | 13.8 | 0 | 0 | 0 | 114.4 | N1033 | N1033-N1035 PolarHBondContact O-N 3.26Š|
| 1036 | T | 30.7 | Very low | 29.5 | Very low | 62 Ų | 62 | 109.3 Ų | 109.3 | 38% | 0.38 | 60% | 0.597 | S | S | . | * | S | Bend | trans | -134.8 | 35.5 | 177.1 | 58.4 | 0 | 0 | 0 | 0 | 112.3 | K1656 S1657 P1658 | T1036-K1656 HydrophobicContact CG2-CB 4.22Å; T1036-S1657 VanDerWaalsContact C-CA 3.47Å; T1036-S1657 CarbonylContact O-C 3.57Å; T1036-P1658 CarbonylContact O-C 3.48Å; T1036-P1658 WeakPolarHBondContact O-CD 3.27Å |
| 1037 | M | 25.9 | Very low | 29.2 | Very low | 54 Ų | 54 | 110.8 Ų | 110.8 | 27% | 0.266 | 60% | 0.604 | S | S | . | * | trans | -148.5 | 72.2 | -172.8 | -65.2 | -164.4 | 103.2 | 0 | 0 | 115.2 | S1657 N1659 N1660 | M1037-S1657 CarbonylContact C-O 3.54Å; M1037-S1657 PolarHBondContact N-OG 3.44Å; M1037-N1659 VanDerWaalsContact C-CB 3.42Å; M1037-N1659 HydrophobicContact CB-CB 3.82Å; M1037-N1659 WeakPolarHBondContact O-CB 3.29Å; M1037-N1659 PolarHBondContact O-ND2 3.44Å; M1037-N1660 HydrophobicContact CE-CB 4.24Å | ||
| 1038 | M | 27.4 | Very low | 29.1 | Very low | 148 Ų | 148 | 110.4 Ų | 110.4 | 73% | 0.729 | 61% | 0.607 | S | S | * | * | trans | -170.8 | 101.4 | 154.6 | -107.6 | -179.1 | 177.7 | 0 | 0 | 111.9 | S1657 | M1038-S1657 CarbonylContact C-O 3.58Å; M1038-S1657 WeakPolarHBondContact CA-O 3.34Å; M1038-S1657 PolarHBondContact N-O 3.42Å; M1038-S1657 PolarHBondContact N-OG 3.43Å; M1038-S1657 VanDerWaalsContact O-CB 3.31Å; M1038-S1657 WeakPolarHBondContact O-CB 3.5Å | ||
| 1039 | D | 28.3 | Very low | 29 | Very low | 104 Ų | 104 | 108.7 Ų | 108.7 | 56% | 0.556 | 59% | 0.592 | S | S | * | * | trans | -141.1 | 26.6 | 177.3 | -88.2 | -37.2 | 0 | 0 | 0 | 111.8 | E1041 S1657 | D1039-E1041 PolarHBondContact O-N 3.08Å; D1039-S1657 WeakPolarHBondContact CB-O 3.33Å; D1039-S1657 PolarHBondContact N-O 3.06Å; D1039-S1657 VanDerWaalsContact N-O 3.13Å; D1039-S1657 WeakPolarHBondContact OD2-CA 3.2Å; D1039-S1657 PolarHBondContact OD2-N 3.33Å | ||
| 1040 | S | 27.5 | Very low | 28.9 | Very low | 70 Ų | 70 | 110.5 Ų | 110.5 | 49% | 0.49 | 60% | 0.6 | S | S | . | * | trans | -83.3 | 49.3 | -176.4 | 61.2 | 0 | 0 | 0 | 0 | 113.4 | F1042 | S1040-F1042 VanDerWaalsContact C-N 3.3Å; S1040-F1042 PolarHBondContact O-N 3.05Å | ||
| 1041 | E | 30.2 | Very low | 28.9 | Very low | 123 Ų | 123 | 115 Ų | 115 | 58% | 0.575 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 40.6 | -163.8 | -157.5 | 170.4 | -128 | 0 | 0 | 114.3 | D1039 N1048 | D1039-E1041 PolarHBondContact O-N 3.08Å; E1041-N1048 PolarHBondContact OE1-ND2 2.65Å |
| 1042 | F | 28 | Very low | 28.8 | Very low | 143 Ų | 143 | 112.4 Ų | 112.4 | 63% | 0.627 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.5 | -11.2 | 176.3 | -136.1 | -101.1 | 0 | 0 | 0 | 116.7 | F957 S1040 | F957-F1042 HydrophobicContact CD2-CD1 4.4Å; F957-F1042 HydrophobicContact CE2-CD1 4.16Å; S1040-F1042 VanDerWaalsContact C-N 3.3Å; S1040-F1042 PolarHBondContact O-N 3.05Å |
| 1043 | L | 25.8 | Very low | 29 | Very low | 108 Ų | 108 | 109.3 Ų | 109.3 | 57% | 0.565 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -92.8 | -8.8 | 167 | -153.5 | 72.9 | 0 | 0 | 0 | 112.6 | E1665 | L1043-E1665 HydrophobicContact CD1-CG 4.24Š|
| 1044 | F | 26.2 | Very low | 29.4 | Very low | 84 Ų | 84 | 109.5 Ų | 109.5 | 37% | 0.368 | 57% | 0.573 | S | S | . | * | trans | -129.2 | 21.4 | -169.2 | -70 | -63.3 | 0 | 0 | 0 | 115.3 | F1021 V1046 I1047 N1048 | F1021-F1044 HydrophobicContact CZ-CZ 4.25Å; F1044-V1046 PolarHBondContact O-N 2.96Å; F1044-V1046 VanDerWaalsContact O-N 3.08Å; F1044-I1047 HydrophobicContact CB-CB 4.46Å; F1044-I1047 HydrophobicContact CD1-CB 4.47Å; F1044-I1047 HydrophobicContact CD1-CD1 3.58Å; F1044-I1047 HydrophobicContact CD1-CG1 4.05Å; F1044-I1047 HydrophobicContact CE1-CD1 3.93Å; F1044-I1047 PolarHBondContact O-N 2.86Å; F1044-N1048 PolarHBondContact O-N 3.08Å | ||
| 1045 | D | 26.1 | Very low | 29.5 | Very low | 102 Ų | 102 | 107.2 Ų | 107.2 | 55% | 0.545 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.5 | -7.5 | 173 | -136.4 | 19.6 | 0 | 0 | 0 | 112.8 | ||
| 1046 | V | 31 | Very low | 29.7 | Very low | 129 Ų | 129 | 102 Ų | 102 | 78% | 0.782 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -14 | 169.2 | -178.8 | 0 | 0 | 0 | 0 | 112.5 | F1044 | F1044-V1046 PolarHBondContact O-N 2.96Å; F1044-V1046 VanDerWaalsContact O-N 3.08Å |
| 1047 | I | 29.8 | Very low | 30.3 | Very low | 77 Ų | 77 | 102.8 Ų | 102.8 | 40% | 0.395 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -37.5 | 177.3 | -61.1 | -169.2 | 0 | 0 | 0 | 111.5 | F1044 D1049 L1052 | F1044-I1047 HydrophobicContact CB-CB 4.46Å; F1044-I1047 HydrophobicContact CD1-CB 4.47Å; F1044-I1047 HydrophobicContact CD1-CD1 3.58Å; F1044-I1047 HydrophobicContact CD1-CG1 4.05Å; F1044-I1047 HydrophobicContact CE1-CD1 3.93Å; F1044-I1047 PolarHBondContact O-N 2.86Å; I1047-D1049 VanDerWaalsContact C-N 3.27Å; I1047-D1049 PolarHBondContact O-N 3.13Å; I1047-L1052 HydrophobicContact CB-CD1 4.24Å; I1047-L1052 HydrophobicContact CG1-CD1 4.43Å; I1047-L1052 HydrophobicContact CG2-CD1 3.89Å |
| 1048 | N | 28.1 | Very low | 31.3 | Very low | 93 Ų | 93 | 105.9 Ų | 105.9 | 50% | 0.497 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -76.7 | -10.9 | 176.4 | -99.8 | 9.8 | 0 | 0 | 0 | 114 | E1041 F1044 T1050 | E1041-N1048 PolarHBondContact OE1-ND2 2.65Å; F1044-N1048 PolarHBondContact O-N 3.08Å; N1048-T1050 PolarHBondContact O-N 2.57Å; N1048-T1050 PolarHBondContact O-OG1 3.26Å |
| 1049 | D | 27.5 | Very low | 32.6 | Very low | 99 Ų | 99 | 102.3 Ų | 102.3 | 53% | 0.529 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -66.7 | 87.1 | 159.2 | -155.6 | -0.3 | 0 | 0 | 0 | 108.4 | I1047 Y1051 L1052 | I1047-D1049 VanDerWaalsContact C-N 3.27Å; I1047-D1049 PolarHBondContact O-N 3.13Å; D1049-Y1051 PolarHBondContact O-N 3.11Å; D1049-L1052 PolarHBondContact O-N 3.22Å; D1049-L1052 VanDerWaalsContact O-N 3.09Å |
| 1050 | T | 27.2 | Very low | 34.2 | Very low | 118 Ų | 118 | 99.1 Ų | 99.1 | 72% | 0.724 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -68.7 | 10 | -167.2 | 19.2 | 0 | 0 | 0 | 0 | 113.8 | N1048 L1052 S1053 | N1048-T1050 PolarHBondContact O-N 2.57Å; N1048-T1050 PolarHBondContact O-OG1 3.26Å; T1050-L1052 PolarHBondContact O-N 3.49Å; T1050-S1053 PolarHBondContact O-N 2.97Å; T1050-S1053 VanDerWaalsContact O-N 3.14Å |
| 1051 | Y | 26.9 | Very low | 36.1 | Very low | 187 Ų | 187 | 96.3 Ų | 96.3 | 73% | 0.733 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -61.4 | -2.7 | 153.5 | -77 | -75.4 | 0 | 0 | 0 | 114.3 | D1049 S1053 | D1049-Y1051 PolarHBondContact O-N 3.11Å; Y1051-S1053 PolarHBondContact O-N 2.75Å; Y1051-S1053 PolarHBondContact O-OG 3.16Å |
| 1052 | L | 28.8 | Very low | 38.3 | Very low | 91 Ų | 91 | 93.2 Ų | 93.2 | 48% | 0.476 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -56.9 | 6.6 | 152.7 | -74.3 | -171.5 | 0 | 0 | 0 | 115.4 | I1047 D1049 T1050 S1056 | I1047-L1052 HydrophobicContact CB-CD1 4.24Å; I1047-L1052 HydrophobicContact CG1-CD1 4.43Å; I1047-L1052 HydrophobicContact CG2-CD1 3.89Å; D1049-L1052 PolarHBondContact O-N 3.22Å; D1049-L1052 VanDerWaalsContact O-N 3.09Å; T1050-L1052 PolarHBondContact O-N 3.49Å; L1052-S1056 WeakPolarHBondContact CA-OG 3Å; L1052-S1056 VanDerWaalsContact CD2-OG 3.32Å; L1052-S1056 WeakPolarHBondContact CD2-OG 3.24Å |
| 1053 | S | 33.3 | Very low | 41 | Very low | 55 Ų | 55 | 86.4 Ų | 86.4 | 39% | 0.385 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -32.7 | 147.7 | 144.8 | 74.7 | 0 | 0 | 0 | 0 | 113.4 | T1050 Y1051 N1055 S1056 | T1050-S1053 PolarHBondContact O-N 2.97Å; T1050-S1053 VanDerWaalsContact O-N 3.14Å; Y1051-S1053 PolarHBondContact O-N 2.75Å; Y1051-S1053 PolarHBondContact O-OG 3.16Å; S1053-N1055 PolarHBondContact O-N 2.84Å; S1053-S1056 PolarHBondContact O-N 2.87Å; S1053-S1056 PolarHBondContact O-OG 3.31Å; S1053-S1056 VanDerWaalsContact O-OG 3.11Å |
| 1054 | N | 41.5 | Very low | 44.1 | Very low | 147 Ų | 147 | 81.3 Ų | 81.3 | 79% | 0.786 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | -15.8 | -171.9 | -75.4 | -13.5 | 0 | 0 | 0 | 117.3 | ||
| 1055 | N | 37 | Very low | 47.2 | Very low | 117 Ų | 117 | 77.3 Ų | 77.3 | 63% | 0.626 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -28.9 | 174.7 | -71 | -16.3 | 0 | 0 | 0 | 113.3 | S1053 K1058 Y1059 | S1053-N1055 PolarHBondContact O-N 2.84Å; N1055-K1058 WeakPolarHBondContact O-CB 3.3Å; N1055-K1058 PolarHBondContact O-N 2.73Å; N1055-Y1059 VanDerWaalsContact O-CD2 3.29Å; N1055-Y1059 WeakPolarHBondContact O-CD2 3.49Å; N1055-Y1059 WeakPolarHBondContact O-CE2 3.41Å |
| 1056 | S | 36.7 | Very low | 50.3 | Low | 31 Ų | 31 | 72.4 Ų | 72.4 | 22% | 0.217 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -64.3 | -43.3 | -179.2 | 63.4 | 0 | 0 | 0 | 0 | 112.4 | L1052 S1053 K1058 Y1059 | L1052-S1056 WeakPolarHBondContact CA-OG 3Å; L1052-S1056 VanDerWaalsContact CD2-OG 3.32Å; L1052-S1056 WeakPolarHBondContact CD2-OG 3.24Å; S1053-S1056 PolarHBondContact O-N 2.87Å; S1053-S1056 PolarHBondContact O-OG 3.31Å; S1053-S1056 VanDerWaalsContact O-OG 3.11Å; S1056-K1058 PolarHBondContact O-N 2.87Å; S1056-Y1059 WeakPolarHBondContact O-CD2 3.48Å; S1056-Y1059 PolarHBondContact O-N 2.98Å |
| 1057 | M | 43.3 | Very low | 53 | Low | 78 Ų | 78 | 66.3 Ų | 66.3 | 38% | 0.384 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -62.3 | -9.6 | 176.3 | -79.6 | -171.5 | 156.4 | 0 | 0 | 113.7 | K1015 Y1059 I1060 | K1015-M1057 WeakPolarHBondContact CE-SD 3.46Å; K1015-M1057 HydrophobicContact CG-CE 4.37Å; M1057-Y1059 PolarHBondContact O-N 3.45Å; M1057-I1060 HydrophobicContact CB-CD1 4.33Å; M1057-I1060 HydrophobicContact CG-CD1 3.93Å |
| 1058 | K | 46.7 | Very low | 55.9 | Low | 120 Ų | 120 | 62.7 Ų | 62.7 | 52% | 0.522 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -71.8 | -15.7 | 171.1 | -159.6 | -168.3 | 172.4 | -169 | 0 | 112.5 | N1055 S1056 D1435 | N1055-K1058 WeakPolarHBondContact O-CB 3.3Å; N1055-K1058 PolarHBondContact O-N 2.73Å; S1056-K1058 PolarHBondContact O-N 2.87Å; K1058-D1435 IonicContact NZ-OD2 3.07Å; K1058-D1435 PolarHBondContact NZ-OD2 3.22Å |
| 1059 | Y | 53.7 | Low | 58.9 | Low | 73 Ų | 73 | 58.3 Ų | 58.3 | 29% | 0.286 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -114.6 | 15.6 | -174.9 | -50 | -79.1 | 0 | 0 | 0 | 113.7 | N1055 S1056 M1057 L1398 H1439 | N1055-Y1059 VanDerWaalsContact O-CD2 3.29Å; N1055-Y1059 WeakPolarHBondContact O-CD2 3.49Å; N1055-Y1059 WeakPolarHBondContact O-CE2 3.41Å; S1056-Y1059 WeakPolarHBondContact O-CD2 3.48Å; S1056-Y1059 PolarHBondContact O-N 2.98Å; M1057-Y1059 PolarHBondContact O-N 3.45Å; Y1059-L1398 WeakPolarHBondContact O-CD1 3.3Å; Y1059-H1439 HydrophobicContact CE1-CB 4.19Å; Y1059-H1439 AromaticContact CE1-CD2 3.9Å; Y1059-H1439 AromaticContact CZ-CD2 3.68Å; Y1059-H1439 PolarHBondContact OH-CD2 2.7Å; Y1059-H1439 PolarHBondContact OH-CE1 2.66Å; Y1059-H1439 PolarHBondContact OH-ND1 2.74Å; Y1059-H1439 PolarHBondContact OH-NE2 3.49Å |
| 1060 | I | 62 | Low | 61.8 | Low | 36 Ų | 36 | 53.8 Ų | 53.8 | 19% | 0.185 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -80.8 | 124.6 | 172.9 | -62.9 | 176.3 | 0 | 0 | 0 | 108.5 | P1014 M1057 K1062 I1105 | P1014-I1060 HydrophobicContact CB-CD1 4.45Å; P1014-I1060 HydrophobicContact CG-CD1 3.87Å; P1014-I1060 HydrophobicContact CG-CG2 3.83Å; M1057-I1060 HydrophobicContact CB-CD1 4.33Å; M1057-I1060 HydrophobicContact CG-CD1 3.93Å; I1060-K1062 PolarHBondContact O-N 3.08Å; I1060-I1105 HydrophobicContact CG2-CD1 4.43Å; I1060-I1105 HydrophobicContact CG2-CG1 4.04Å |
| 1061 | P | 67.8 | Low | 64.7 | Low | 11 Ų | 11 | 48.2 Ų | 48.2 | 7% | 0.071 | 24% | 0.236 | C | C | . | . | trans | -56.9 | 124.1 | 178.4 | 14.4 | -25.9 | 0 | 0 | 0 | 112.4 | I1063 S1103 A1104 I1105 L1398 | P1061-I1063 HydrophobicContact CB-CG1 4.46Å; P1061-S1103 VanDerWaalsContact CD-O 3.27Å; P1061-S1103 WeakPolarHBondContact CD-O 3.1Å; P1061-S1103 VanDerWaalsContact CG-O 3.3Å; P1061-S1103 WeakPolarHBondContact CG-O 3.24Å; P1061-A1104 HydrophobicContact CG-CB 4.17Å; P1061-A1104 WeakPolarHBondContact O-CA 3.26Å; P1061-I1105 PolarHBondContact O-N 3.29Å; P1061-L1398 HydrophobicContact CB-CB 4.02Å; P1061-L1398 HydrophobicContact CB-CD1 4.34Å; P1061-L1398 HydrophobicContact CG-CB 4.16Å | ||
| 1062 | K | 76.6 | Confident | 67.4 | Low | 59 Ų | 59 | 39.8 Ų | 39.8 | 26% | 0.257 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 114.6 | 168.9 | -72.1 | -172.7 | 177.3 | -162 | 0 | 110 | I1060 I1105 Y1217 N1220 S1221 | I1060-K1062 PolarHBondContact O-N 3.08Å; K1062-I1105 HydrophobicContact CG-CD1 4.48Å; K1062-Y1217 HydrophobicContact CB-CD1 4.39Å; K1062-Y1217 HydrophobicContact CB-CE1 3.63Å; K1062-Y1217 HydrophobicContact CD-CD1 4.2Å; K1062-Y1217 HydrophobicContact CD-CD2 4.11Å; K1062-Y1217 HydrophobicContact CD-CE1 4.04Å; K1062-Y1217 HydrophobicContact CD-CE2 3.87Å; K1062-Y1217 HydrophobicContact CD-CG 4.26Å; K1062-Y1217 WeakPolarHBondContact CD-O 3.34Å; K1062-Y1217 WeakPolarHBondContact CE-O 3.43Å; K1062-Y1217 HydrophobicContact CG-CE1 4.24Å; K1062-Y1217 HydrophobicContact CG-CE2 4.3Å; K1062-Y1217 PolarHBondContact NZ-O 2.8Å; K1062-N1220 PolarHBondContact N-OD1 2.72Å; K1062-N1220 PolarHBondContact O-N 2.81Å; K1062-S1221 PolarHBondContact O-N 3.12Å |
| 1063 | I | 85.2 | Confident | 70.1 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 167.9 | 178.8 | -49.2 | 179.2 | 0 | 0 | 0 | 108.8 | P1061 A1104 I1105 I1106 T1107 Y1217 S1221 I1223 I1390 | P1061-I1063 HydrophobicContact CB-CG1 4.46Å; I1063-A1104 HydrophobicContact CD1-CB 3.87Å; I1063-A1104 HydrophobicContact CG1-CB 4.35Å; I1063-I1105 WeakPolarHBondContact CA-O 3.27Å; I1063-I1105 PolarHBondContact N-O 3.21Å; I1063-I1106 HydrophobicContact CB-CG1 4.43Å; I1063-I1106 HydrophobicContact CG2-CG2 4.48Å; I1063-I1106 CarbonylContact O-C 3.59Å; I1063-I1106 VanDerWaalsContact O-CA 3.3Å; I1063-I1106 WeakPolarHBondContact O-CA 3.31Å; I1063-T1107 PolarHBondContact O-N 3.25Å; I1063-Y1217 PolarHBondContact O-OH 3.27Å; I1063-S1221 VanDerWaalsContact CA-O 3.27Å; I1063-S1221 WeakPolarHBondContact CA-O 2.93Å; I1063-I1223 HydrophobicContact CG2-CD1 4.27Å; I1063-I1223 HydrophobicContact CG2-CG1 4.41Å; I1063-I1390 HydrophobicContact CD1-CG2 3.86Å; I1063-I1390 WeakPolarHBondContact CD1-O 3.23Å; I1063-I1390 HydrophobicContact CG2-CG2 4.12Å |
| 1064 | A | 89.5 | Confident | 72.6 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172 | 133.4 | -149.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | T1107 I1222 I1223 V1597 N1598 | A1064-T1107 CarbonylContact C-O 3.54Å; A1064-T1107 VanDerWaalsContact CA-O 3.31Å; A1064-T1107 WeakPolarHBondContact CA-O 3.43Å; A1064-I1222 HydrophobicContact CB-CB 4.31Å; A1064-I1222 HydrophobicContact CB-CG2 3.28Å; A1064-I1222 CarbonylContact O-C 3.5Å; A1064-I1223 PolarHBondContact O-N 3.07Å; A1064-V1597 VanDerWaalsContact C-CG1 3.49Å; A1064-V1597 HydrophobicContact CB-CB 3.9Å; A1064-V1597 HydrophobicContact CB-CG1 3.76Å; A1064-V1597 HydrophobicContact CB-CG2 3.18Å; A1064-N1598 PolarHBondContact O-OD1 2.95Å |
| 1065 | V | 93.1 | Very high | 74.6 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 85.2 | -172 | -163.5 | 0 | 0 | 0 | 0 | 115.6 | L1080 I1106 T1107 I1108 I1109 I1223 F1225 M1386 I1390 N1598 | V1065-L1080 HydrophobicContact CG1-CD1 4.23Å; V1065-L1080 HydrophobicContact CG1-CD2 3.43Å; V1065-L1080 VanDerWaalsContact CG1-CD2 3.43Å; V1065-L1080 HydrophobicContact CG1-CG 4.49Å; V1065-L1080 WeakPolarHBondContact O-CD1 3.19Å; V1065-I1106 HydrophobicContact CG2-CG2 3.78Å; V1065-T1107 PolarHBondContact N-O 2.95Å; V1065-I1108 HydrophobicContact CB-CG1 4.25Å; V1065-I1108 HydrophobicContact CB-CG2 4.48Å; V1065-I1108 HydrophobicContact CG2-CG1 4.25Å; V1065-I1109 WeakPolarHBondContact O-CA 3.45Å; V1065-I1109 VanDerWaalsContact O-CB 3.3Å; V1065-I1109 WeakPolarHBondContact O-CB 3.32Å; V1065-I1109 PolarHBondContact O-N 3.43Å; V1065-I1223 HydrophobicContact CG1-CB 4.44Å; V1065-I1223 HydrophobicContact CG2-CB 4.3Å; V1065-F1225 HydrophobicContact CG1-CE2 3.81Å; V1065-F1225 HydrophobicContact CG1-CZ 4.23Å; V1065-M1386 HydrophobicContact CG1-CE 3.86Å; V1065-M1386 HydrophobicContact CG2-CE 4.44Å; V1065-I1390 HydrophobicContact CG2-CD1 4.49Å; V1065-N1598 WeakPolarHBondContact CA-OD1 3.42Å; V1065-N1598 PolarHBondContact N-OD1 2.91Å |
| 1066 | I | 91.4 | Very high | 77.1 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 147.5 | 170.7 | -110.1 | 168.2 | 0 | 0 | 0 | 112.8 | L1069 L1080 I1109 P1112 L1210 F1225 L1320 N1596 V1597 N1598 | I1066-L1069 HydrophobicContact CD1-CD1 3.29Å; I1066-L1069 HydrophobicContact CG1-CD1 4.13Å; I1066-L1069 HydrophobicContact CG2-CD1 4.25Å; I1066-L1080 VanDerWaalsContact C-CD1 3.48Å; I1066-I1109 CarbonylContact C-O 3.33Å; I1066-I1109 VanDerWaalsContact CA-O 3.25Å; I1066-I1109 WeakPolarHBondContact CA-O 3.18Å; I1066-I1109 HydrophobicContact CB-CG2 4.17Å; I1066-I1109 HydrophobicContact CG1-CB 4.29Å; I1066-I1109 HydrophobicContact CG1-CG2 3.44Å; I1066-I1109 VanDerWaalsContact CG1-CG2 3.44Å; I1066-P1112 HydrophobicContact CG1-CG 4.27Å; I1066-L1210 HydrophobicContact CD1-CD2 4.47Å; I1066-F1225 WeakPolarHBondContact O-CD2 3.38Å; I1066-L1320 HydrophobicContact CD1-CD1 4.17Å; I1066-N1596 WeakPolarHBondContact CD1-O 3.35Å; I1066-N1596 WeakPolarHBondContact CG1-O 3.32Å; I1066-V1597 HydrophobicContact CB-CG1 3.95Å; I1066-V1597 WeakPolarHBondContact CD1-O 3.05Å; I1066-V1597 HydrophobicContact CG1-CG1 4.11Å; I1066-N1598 WeakPolarHBondContact CA-ND2 3.28Å; I1066-N1598 HydrophobicContact CB-CB 3.82Å; I1066-N1598 WeakPolarHBondContact CB-ND2 3.34Å; I1066-N1598 HydrophobicContact CD1-CB 4.26Å; I1066-N1598 HydrophobicContact CG1-CB 4.47Å; I1066-N1598 HydrophobicContact CG2-CB 4.33Å; I1066-N1598 VanDerWaalsContact CG2-ND2 3.32Å; I1066-N1598 WeakPolarHBondContact CG2-ND2 3.46Å; I1066-N1598 PolarHBondContact N-ND2 2.97Å; I1066-N1598 PolarHBondContact N-OD1 3.23Å; I1066-N1598 PolarHBondContact O-ND2 3.01Å |
| 1067 | G | 86.5 | Confident | 79.7 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | trans | -125.5 | -174.9 | 145.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1069 T1076 I1109 P1112 | G1067-L1069 PolarHBondContact O-N 3.41Å; G1067-L1069 VanDerWaalsContact O-N 3.14Å; G1067-T1076 VanDerWaalsContact CA-CG2 3.45Å; G1067-I1109 PolarHBondContact N-O 2.78Å; G1067-P1112 WeakPolarHBondContact O-CD 3.39Å; G1067-P1112 WeakPolarHBondContact O-CG 3.45Å | ||
| 1068 | N | 91.1 | Very high | 81.8 | Confident | 2 Ų | 2 | 16.5 Ų | 16.5 | 1% | 0.011 | 7% | 0.074 | C | C | . | . | trans | 58.3 | 28.8 | 155.8 | -167 | -103.5 | 0 | 0 | 0 | 119.3 | H1070 G1071 D1073 P1077 P1110 N1113 | N1068-H1070 PolarHBondContact ND2-O 3.06Å; N1068-H1070 CarbonylContact O-C 3.34Å; N1068-H1070 PolarHBondContact O-N 2.83Å; N1068-G1071 WeakPolarHBondContact ND2-CA 3.12Å; N1068-G1071 PolarHBondContact ND2-O 2.79Å; N1068-D1073 PolarHBondContact ND2-O 3.35Å; N1068-P1077 HydrophobicContact CB-CG 3.84Å; N1068-P1110 WeakPolarHBondContact CB-O 3.41Å; N1068-N1113 WeakPolarHBondContact O-CB 3.34Å | ||
| 1069 | L | 90.7 | Very high | 83.8 | Confident | 1 Ų | 1 | 10.8 Ų | 10.8 | 1% | 0.005 | 5% | 0.049 | C | C | . | . | S | Bend | trans | -60.1 | -35.4 | 165.8 | -109.4 | 89.7 | 0 | 0 | 0 | 112 | I1066 G1067 P1112 N1113 L1170 W1171 L1174 L1210 | I1066-L1069 HydrophobicContact CD1-CD1 3.29Å; I1066-L1069 HydrophobicContact CG1-CD1 4.13Å; I1066-L1069 HydrophobicContact CG2-CD1 4.25Å; G1067-L1069 PolarHBondContact O-N 3.41Å; G1067-L1069 VanDerWaalsContact O-N 3.14Å; L1069-P1112 HydrophobicContact CD1-CB 4.06Å; L1069-P1112 HydrophobicContact CD1-CG 3.58Å; L1069-P1112 HydrophobicContact CG-CG 4.15Å; L1069-N1113 WeakPolarHBondContact O-CB 3.32Å; L1069-N1113 PolarHBondContact O-ND2 3.05Å; L1069-L1170 HydrophobicContact CD2-CB 3.88Å; L1069-L1170 HydrophobicContact CG-CB 4.28Å; L1069-W1171 HydrophobicContact CB-CD2 4.01Å; L1069-W1171 HydrophobicContact CB-CG 4.02Å; L1069-W1171 HydrophobicContact CB-CZ2 4.27Å; L1069-W1171 HydrophobicContact CD1-CZ2 4.47Å; L1069-W1171 HydrophobicContact CD2-CD2 3.79Å; L1069-W1171 HydrophobicContact CD2-CE3 3.97Å; L1069-W1171 HydrophobicContact CD2-CG 4.08Å; L1069-W1171 HydrophobicContact CG-CD2 4.44Å; L1069-L1174 HydrophobicContact CD2-CD1 3.56Å; L1069-L1210 HydrophobicContact CD1-CD2 4.31Å; L1069-L1210 HydrophobicContact CD2-CD2 4.44Å |
| 1070 | H | 89.7 | Confident | 85.7 | Confident | 4 Ų | 4 | 7.3 Ų | 7.3 | 2% | 0.019 | 4% | 0.036 | C | C | . | . | S | Bend | trans | -84 | 106.1 | 160.7 | -69.9 | 157 | 0 | 0 | 0 | 108.5 | N1068 H1072 D1073 Y1162 D1169 W1171 T1227 F1312 | N1068-H1070 PolarHBondContact ND2-O 3.06Å; N1068-H1070 CarbonylContact O-C 3.34Å; N1068-H1070 PolarHBondContact O-N 2.83Å; H1070-H1072 PolarHBondContact O-N 3.38Å; H1070-D1073 PolarHBondContact O-N 2.85Å; H1070-Y1162 AromaticContact CD2-CE1 3.91Å; H1070-Y1162 AromaticContact CD2-CZ 3.7Å; H1070-Y1162 AromaticContact CE1-CE2 3.9Å; H1070-Y1162 AromaticContact CE1-CZ 3.7Å; H1070-Y1162 PolarHBondContact CE1-OH 3.34Å; H1070-Y1162 AromaticContact NE2-CE1 3.85Å; H1070-Y1162 AromaticContact NE2-CE2 3.91Å; H1070-Y1162 AromaticContact NE2-CZ 3.35Å; H1070-Y1162 VanDerWaalsContact NE2-CZ 3.35Å; H1070-Y1162 PolarHBondContact NE2-OH 2.93Å; H1070-Y1162 VanDerWaalsContact NE2-OH 3.1Å; H1070-D1169 IonicContact CD2-OD1 2.72Å; H1070-D1169 IonicContact NE2-OD1 2.71Å; H1070-D1169 PolarHBondContact NE2-OD1 3.17Å; H1070-D1169 IonicContact NE2-OD2 3.21Å; H1070-D1169 PolarHBondContact NE2-OD2 3.33Å; H1070-W1171 AromaticContact CD2-CD1 3.66Å; H1070-W1171 AromaticContact CE1-CD1 3.58Å; H1070-W1171 AromaticContact CG-CD1 3.78Å; H1070-W1171 AromaticContact ND1-CD1 3.73Å; H1070-W1171 AromaticContact NE2-CD1 3.51Å; H1070-T1227 PolarHBondContact ND1-OG1 3.48Å; H1070-F1312 AromaticContact CE1-CZ 3.72Å |
| 1071 | G | 86.5 | Confident | 87 | Confident | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.028 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -14.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | N1068 D1073 N1113 L1117 G1161 | N1068-G1071 WeakPolarHBondContact ND2-CA 3.12Å; N1068-G1071 PolarHBondContact ND2-O 2.79Å; G1071-D1073 VanDerWaalsContact C-N 3.34Å; G1071-N1113 PolarHBondContact N-ND2 3.23Å; G1071-L1117 VanDerWaalsContact O-CA 3.25Å; G1071-L1117 WeakPolarHBondContact O-CA 3.44Å; G1071-L1117 VanDerWaalsContact O-CD1 3.25Å; G1071-L1117 WeakPolarHBondContact O-CD1 3.06Å; G1071-G1161 CarbonylContact C-O 3.38Å; G1071-G1161 VanDerWaalsContact C-O 3.24Å; G1071-G1161 WeakPolarHBondContact CA-O 3.28Å; G1071-G1161 PolarHBondContact N-O 3.45Å |
| 1072 | H | 83.7 | Confident | 88 | Confident | 10 Ų | 10 | 6.3 Ų | 6.3 | 5% | 0.046 | 3% | 0.03 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -13.9 | 175.5 | 78.8 | -73.1 | 0 | 0 | 0 | 114.4 | H1070 Q1074 G1161 Y1162 F1366 | H1070-H1072 PolarHBondContact O-N 3.38Å; H1072-Q1074 PolarHBondContact O-N 2.81Å; H1072-Q1074 VanDerWaalsContact O-N 3.14Å; H1072-G1161 PolarHBondContact N-O 3.3Å; H1072-G1161 VanDerWaalsContact N-O 3.16Å; H1072-Y1162 AromaticContact CE1-CD2 3.33Å; H1072-Y1162 WeakPolarHBondContact CE1-CD2 3.25Å; H1072-Y1162 AromaticContact CE1-CE2 3.86Å; H1072-Y1162 AromaticContact ND1-CD2 3.43Å; H1072-Y1162 WeakPolarHBondContact ND1-CD2 3.41Å; H1072-Y1162 AromaticContact ND1-CG 3.92Å; H1072-F1366 AromaticContact CD2-CD1 3.7Å; H1072-F1366 AromaticContact CD2-CD2 3.83Å; H1072-F1366 AromaticContact CD2-CG 3.47Å; H1072-F1366 VanDerWaalsContact CD2-CG 3.47Å; H1072-F1366 WeakPolarHBondContact CD2-CG 3.12Å; H1072-F1366 AromaticContact NE2-CD1 3.46Å; H1072-F1366 WeakPolarHBondContact NE2-CD1 2.98Å; H1072-F1366 AromaticContact NE2-CD2 3.92Å; H1072-F1366 AromaticContact NE2-CE1 3.55Å; H1072-F1366 AromaticContact NE2-CE2 3.99Å; H1072-F1366 AromaticContact NE2-CG 3.66Å; H1072-F1366 AromaticContact NE2-CZ 3.82Å |
| 1073 | D | 85.5 | Confident | 88.7 | Confident | 7 Ų | 7 | 3.5 Ų | 3.5 | 4% | 0.037 | 2% | 0.018 | C | C | . | . | trans | -75.3 | 96.3 | 174.2 | 167.6 | 25.1 | 0 | 0 | 0 | 110.5 | N1068 H1070 G1071 L1075 T1076 P1077 T1227 | N1068-D1073 PolarHBondContact ND2-O 3.35Å; H1070-D1073 PolarHBondContact O-N 2.85Å; G1071-D1073 VanDerWaalsContact C-N 3.34Å; D1073-L1075 PolarHBondContact OD1-N 3.09Å; D1073-T1076 PolarHBondContact OD1-N 3.09Å; D1073-T1076 PolarHBondContact OD1-OG1 2.81Å; D1073-T1076 WeakPolarHBondContact OD2-CB 3.41Å; D1073-T1076 PolarHBondContact OD2-OG1 3.04Å; D1073-P1077 WeakPolarHBondContact O-CD 2.93Å; D1073-P1077 WeakPolarHBondContact O-CG 3.46Å; D1073-T1227 HydrophobicContact CB-CG2 4.1Å | ||
| 1074 | Q | 85.3 | Confident | 88.9 | Confident | 10 Ų | 10 | 3.7 Ų | 3.7 | 5% | 0.047 | 2% | 0.018 | C | C | . | . | trans | -86.7 | -8.2 | 176.4 | -53 | 174.9 | -9.4 | 0 | 0 | 112.8 | F974 H1072 Q1078 L1117 W1121 F1366 | F974-Q1074 HydrophobicContact CZ-CB 4.19Å; H1072-Q1074 PolarHBondContact O-N 2.81Å; H1072-Q1074 VanDerWaalsContact O-N 3.14Å; Q1074-Q1078 VanDerWaalsContact O-CG 3.28Å; Q1074-Q1078 WeakPolarHBondContact O-CG 3.47Å; Q1074-Q1078 PolarHBondContact O-NE2 2.98Å; Q1074-L1117 HydrophobicContact CG-CD1 4.11Å; Q1074-W1121 HydrophobicContact CB-CZ3 4.33Å; Q1074-W1121 HydrophobicContact CG-CE3 4.32Å; Q1074-W1121 HydrophobicContact CG-CZ3 4.28Å; Q1074-F1366 WeakPolarHBondContact CA-O 3.39Å; Q1074-F1366 WeakPolarHBondContact CB-O 3.27Å; Q1074-F1366 WeakPolarHBondContact CG-O 3.19Å; Q1074-F1366 PolarHBondContact N-O 3.22Å | ||
| 1075 | L | 84.7 | Confident | 88.8 | Confident | 4 Ų | 4 | 4.7 Ų | 4.7 | 2% | 0.021 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -79.7 | -51.1 | -177.6 | 171 | 63.9 | 0 | 0 | 0 | 111.7 | D1073 Q1078 L1079 C1362 P1368 V1373 I1376 | D1073-L1075 PolarHBondContact OD1-N 3.09Å; L1075-Q1078 WeakPolarHBondContact O-CB 3.22Å; L1075-Q1078 PolarHBondContact O-N 2.97Å; L1075-L1079 HydrophobicContact CD1-CD1 3.89Å; L1075-L1079 HydrophobicContact CD1-CG 3.99Å; L1075-L1079 HydrophobicContact CD2-CD1 4.41Å; L1075-L1079 HydrophobicContact CG-CD1 3.96Å; L1075-L1079 HydrophobicContact CG-CG 4.41Å; L1075-L1079 PolarHBondContact O-N 3.2Å; L1075-L1079 VanDerWaalsContact O-N 3.1Å; L1075-C1362 HydrophobicContact CD2-CB 3.59Å; L1075-P1368 HydrophobicContact CB-CG 3.98Å; L1075-P1368 HydrophobicContact CD1-CB 4.4Å; L1075-P1368 HydrophobicContact CD1-CG 3.96Å; L1075-V1373 HydrophobicContact CD1-CG2 4.22Å; L1075-I1376 HydrophobicContact CD1-CD1 3.89Å; L1075-I1376 HydrophobicContact CD2-CD1 3.69Å; L1075-I1376 HydrophobicContact CG-CD1 4.48Å |
| 1076 | T | 89.2 | Confident | 88.4 | Confident | 7 Ų | 7 | 6.3 Ų | 6.3 | 4% | 0.043 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -60.8 | -40.7 | -175.3 | -51 | 0 | 0 | 0 | 0 | 113 | G1067 D1073 Q1078 L1079 L1080 F1225 | G1067-T1076 VanDerWaalsContact CA-CG2 3.45Å; D1073-T1076 PolarHBondContact OD1-N 3.09Å; D1073-T1076 PolarHBondContact OD1-OG1 2.81Å; D1073-T1076 WeakPolarHBondContact OD2-CB 3.41Å; D1073-T1076 PolarHBondContact OD2-OG1 3.04Å; T1076-Q1078 PolarHBondContact O-N 2.91Å; T1076-L1079 PolarHBondContact O-N 2.87Å; T1076-L1079 VanDerWaalsContact O-N 3.17Å; T1076-L1080 HydrophobicContact CG2-CD1 3.77Å; T1076-L1080 HydrophobicContact CG2-CG 3.95Å; T1076-L1080 WeakPolarHBondContact O-CB 3.45Å; T1076-L1080 WeakPolarHBondContact O-CG 3.37Å; T1076-L1080 PolarHBondContact O-N 2.82Å; T1076-F1225 HydrophobicContact CG2-CB 3.73Å; T1076-F1225 HydrophobicContact CG2-CD2 3.3Å; T1076-F1225 HydrophobicContact CG2-CE2 4.16Å; T1076-F1225 HydrophobicContact CG2-CG 3.6Å |
| 1077 | P | 90.7 | Very high | 88.2 | Confident | 1 Ų | 1 | 6.3 Ų | 6.3 | 1% | 0.006 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -55.3 | -36.1 | 172.7 | -25 | 33.5 | 0 | 0 | 0 | 113.5 | I980 N1068 D1073 V1081 P1110 L1117 | I980-P1077 HydrophobicContact CD1-CB 3.7Å; N1068-P1077 HydrophobicContact CB-CG 3.84Å; D1073-P1077 WeakPolarHBondContact O-CD 2.93Å; D1073-P1077 WeakPolarHBondContact O-CG 3.46Å; P1077-V1081 WeakPolarHBondContact O-CB 3.14Å; P1077-V1081 PolarHBondContact O-N 2.87Å; P1077-P1110 HydrophobicContact CB-CB 4.34Å; P1077-L1117 HydrophobicContact CG-CD2 4.45Å |
| 1078 | Q | 87.6 | Confident | 88.2 | Confident | 1 Ų | 1 | 6.3 Ų | 6.3 | 1% | 0.005 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -68 | -50.6 | 174.8 | -47.2 | -57.6 | -41 | 0 | 0 | 110.9 | F974 N975 Q1074 L1075 T1076 L1080 V1081 H1082 V1373 | F974-Q1078 HydrophobicContact CD2-CG 3.63Å; F974-Q1078 HydrophobicContact CE2-CG 3.68Å; N975-Q1078 PolarHBondContact O-NE2 2.86Å; Q1074-Q1078 VanDerWaalsContact O-CG 3.28Å; Q1074-Q1078 WeakPolarHBondContact O-CG 3.47Å; Q1074-Q1078 PolarHBondContact O-NE2 2.98Å; L1075-Q1078 WeakPolarHBondContact O-CB 3.22Å; L1075-Q1078 PolarHBondContact O-N 2.97Å; T1076-Q1078 PolarHBondContact O-N 2.91Å; Q1078-L1080 PolarHBondContact O-N 2.93Å; Q1078-V1081 PolarHBondContact O-N 2.81Å; Q1078-H1082 WeakPolarHBondContact O-CB 3.34Å; Q1078-H1082 PolarHBondContact O-CD2 2.64Å; Q1078-H1082 PolarHBondContact O-N 3.01Å; Q1078-V1373 HydrophobicContact CB-CG1 4Å; Q1078-V1373 HydrophobicContact CB-CG2 4.06Å; Q1078-V1373 HydrophobicContact CG-CG2 4.1Å |
| 1079 | L | 89.4 | Confident | 87.6 | Confident | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -63.6 | -29.8 | -177.7 | -67.4 | 176.2 | 0 | 0 | 0 | 112 | L1075 T1076 F1083 L1361 V1373 I1376 W1377 F1382 | L1075-L1079 HydrophobicContact CD1-CD1 3.89Å; L1075-L1079 HydrophobicContact CD1-CG 3.99Å; L1075-L1079 HydrophobicContact CD2-CD1 4.41Å; L1075-L1079 HydrophobicContact CG-CD1 3.96Å; L1075-L1079 HydrophobicContact CG-CG 4.41Å; L1075-L1079 PolarHBondContact O-N 3.2Å; L1075-L1079 VanDerWaalsContact O-N 3.1Å; T1076-L1079 PolarHBondContact O-N 2.87Å; T1076-L1079 VanDerWaalsContact O-N 3.17Å; L1079-F1083 WeakPolarHBondContact O-CB 3.18Å; L1079-F1083 PolarHBondContact O-N 3.21Å; L1079-L1361 HydrophobicContact CD1-CD1 3.49Å; L1079-L1361 VanDerWaalsContact CD1-CD1 3.49Å; L1079-V1373 HydrophobicContact CD2-CG1 3.99Å; L1079-I1376 HydrophobicContact CD1-CG2 3.97Å; L1079-I1376 HydrophobicContact CD2-CG2 4.46Å; L1079-W1377 HydrophobicContact CD2-CE3 4.18Å; L1079-F1382 HydrophobicContact CB-CD1 4.49Å; L1079-F1382 HydrophobicContact CB-CE1 3.93Å; L1079-F1382 HydrophobicContact CB-CZ 4.04Å; L1079-F1382 WeakPolarHBondContact O-CE1 2.98Å |
| 1080 | L | 92.7 | Very high | 86.9 | Confident | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -83 | -35.3 | 176.2 | -65.9 | -174.8 | 0 | 0 | 0 | 114 | V1065 I1066 T1076 Q1078 L1084 I1108 F1225 | V1065-L1080 HydrophobicContact CG1-CD1 4.23Å; V1065-L1080 HydrophobicContact CG1-CD2 3.43Å; V1065-L1080 VanDerWaalsContact CG1-CD2 3.43Å; V1065-L1080 HydrophobicContact CG1-CG 4.49Å; V1065-L1080 WeakPolarHBondContact O-CD1 3.19Å; I1066-L1080 VanDerWaalsContact C-CD1 3.48Å; T1076-L1080 HydrophobicContact CG2-CD1 3.77Å; T1076-L1080 HydrophobicContact CG2-CG 3.95Å; T1076-L1080 WeakPolarHBondContact O-CB 3.45Å; T1076-L1080 WeakPolarHBondContact O-CG 3.37Å; T1076-L1080 PolarHBondContact O-N 2.82Å; Q1078-L1080 PolarHBondContact O-N 2.93Å; L1080-L1084 VanDerWaalsContact O-CB 3.27Å; L1080-L1084 WeakPolarHBondContact O-CB 3.04Å; L1080-L1084 PolarHBondContact O-N 2.96Å; L1080-I1108 HydrophobicContact CB-CG2 4.1Å; L1080-I1108 HydrophobicContact CD2-CG2 4.47Å; L1080-F1225 HydrophobicContact CD1-CD2 4.32Å; L1080-F1225 HydrophobicContact CD1-CE2 4.08Å; L1080-F1225 HydrophobicContact CD2-CE2 3.72Å; L1080-F1225 HydrophobicContact CD2-CZ 4.09Å; L1080-F1225 HydrophobicContact CG-CE2 4.23Å |
| 1081 | V | 91.1 | Very high | 86.1 | Confident | 2 Ų | 2 | 13.8 Ų | 13.8 | 1% | 0.012 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -68.7 | -46.7 | 169.9 | 82.3 | 0 | 0 | 0 | 0 | 110 | I980 H983 P1077 Q1078 F1083 L1084 D1085 | I980-V1081 HydrophobicContact CG1-CB 4.49Å; I980-V1081 HydrophobicContact CG1-CG1 4.32Å; I980-V1081 HydrophobicContact CG2-CB 4.45Å; I980-V1081 HydrophobicContact CG2-CG2 4.39Å; H983-V1081 HydrophobicContact CB-CG2 3.7Å; P1077-V1081 WeakPolarHBondContact O-CB 3.14Å; P1077-V1081 PolarHBondContact O-N 2.87Å; Q1078-V1081 PolarHBondContact O-N 2.81Å; V1081-F1083 VanDerWaalsContact C-N 3.29Å; V1081-F1083 PolarHBondContact O-N 3.38Å; V1081-L1084 CarbonylContact O-C 3.6Å; V1081-L1084 WeakPolarHBondContact O-CA 3.49Å; V1081-L1084 WeakPolarHBondContact O-CB 3.14Å; V1081-L1084 PolarHBondContact O-N 3.13Å; V1081-D1085 WeakPolarHBondContact O-CB 3.22Å; V1081-D1085 PolarHBondContact O-N 2.97Å |
| 1082 | H | 88.1 | Confident | 85.3 | Confident | 24 Ų | 24 | 16.5 Ų | 16.5 | 11% | 0.111 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64.9 | -28.8 | 176.2 | -71.5 | -62.3 | 0 | 0 | 0 | 113.5 | I972 N973 Q1078 D1085 F1086 W1377 | I972-H1082 WeakPolarHBondContact CG2-CD2 3.37Å; I972-H1082 VanDerWaalsContact CG2-NE2 3.29Å; I972-H1082 WeakPolarHBondContact CG2-NE2 3.24Å; N973-H1082 PolarHBondContact O-NE2 3.41Å; Q1078-H1082 WeakPolarHBondContact O-CB 3.34Å; Q1078-H1082 PolarHBondContact O-CD2 2.64Å; Q1078-H1082 PolarHBondContact O-N 3.01Å; H1082-D1085 IonicContact ND1-OD2 3.8Å; H1082-F1086 VanDerWaalsContact O-CB 3.28Å; H1082-F1086 WeakPolarHBondContact O-CB 3.24Å; H1082-F1086 PolarHBondContact O-N 3.01Å; H1082-W1377 HydrophobicContact CB-CE3 4.42Å; H1082-W1377 HydrophobicContact CB-CH2 4.1Å; H1082-W1377 HydrophobicContact CB-CZ3 3.79Å; H1082-W1377 VanDerWaalsContact O-CH2 3.25Å; H1082-W1377 WeakPolarHBondContact O-CH2 3.49Å |
| 1083 | F | 91.3 | Very high | 84.3 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -77.1 | -31.8 | 170.9 | -177.6 | -111.9 | 0 | 0 | 0 | 112.7 | L1079 V1081 F1086 L1087 I1108 W1377 F1382 M1386 I1390 | L1079-F1083 WeakPolarHBondContact O-CB 3.18Å; L1079-F1083 PolarHBondContact O-N 3.21Å; V1081-F1083 VanDerWaalsContact C-N 3.29Å; V1081-F1083 PolarHBondContact O-N 3.38Å; F1083-F1086 HydrophobicContact CD2-CD1 4.07Å; F1083-F1086 AromaticContact CE2-CD1 4Å; F1083-F1086 HydrophobicContact CE2-CD1 4Å; F1083-F1086 HydrophobicContact CE2-CE1 4.41Å; F1083-L1087 HydrophobicContact CD1-CD1 4.03Å; F1083-L1087 HydrophobicContact CD1-CG 4.42Å; F1083-L1087 HydrophobicContact CE1-CD1 3.5Å; F1083-L1087 HydrophobicContact CE1-CD2 4.46Å; F1083-L1087 HydrophobicContact CE1-CG 3.98Å; F1083-L1087 HydrophobicContact CE2-CD2 4.27Å; F1083-L1087 HydrophobicContact CE2-CG 4.17Å; F1083-L1087 HydrophobicContact CZ-CD1 3.8Å; F1083-L1087 HydrophobicContact CZ-CD2 3.9Å; F1083-L1087 HydrophobicContact CZ-CG 3.83Å; F1083-L1087 WeakPolarHBondContact O-CB 3.22Å; F1083-L1087 VanDerWaalsContact O-CG 3.31Å; F1083-L1087 WeakPolarHBondContact O-CG 3.24Å; F1083-L1087 PolarHBondContact O-N 3.15Å; F1083-I1108 HydrophobicContact CD1-CD1 4.23Å; F1083-I1108 HydrophobicContact CE1-CD1 4.35Å; F1083-W1377 HydrophobicContact CB-CZ3 4.24Å; F1083-F1382 HydrophobicContact CB-CD1 4.31Å; F1083-F1382 HydrophobicContact CB-CE1 3.94Å; F1083-F1382 HydrophobicContact CG-CE1 4.3Å; F1083-M1386 HydrophobicContact CD1-CB 4.37Å; F1083-M1386 HydrophobicContact CD2-CB 4.07Å; F1083-M1386 HydrophobicContact CE1-CB 3.89Å; F1083-M1386 HydrophobicContact CE1-CE 4.39Å; F1083-M1386 HydrophobicContact CE2-CB 3.57Å; F1083-M1386 HydrophobicContact CG-CB 4.46Å; F1083-M1386 HydrophobicContact CZ-CB 3.47Å; F1083-M1386 VanDerWaalsContact CZ-CB 3.47Å; F1083-I1390 HydrophobicContact CE1-CD1 3.54Å; F1083-I1390 HydrophobicContact CZ-CD1 3.73Å |
| 1084 | L | 89.8 | Confident | 83.1 | Confident | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.016 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.2 | -50 | 169 | 174.5 | 60.5 | 0 | 0 | 0 | 110.9 | M984 F1010 I1012 L1080 V1081 F1086 L1087 C1088 I1108 | M984-L1084 HydrophobicContact CG-CD2 4.13Å; F1010-L1084 HydrophobicContact CB-CD2 3.86Å; F1010-L1084 HydrophobicContact CD1-CD1 3.34Å; F1010-L1084 HydrophobicContact CD1-CD2 3.91Å; F1010-L1084 HydrophobicContact CD1-CG 4.26Å; F1010-L1084 HydrophobicContact CD2-CD2 4Å; F1010-L1084 HydrophobicContact CE1-CD1 3.57Å; F1010-L1084 HydrophobicContact CE1-CD2 4.44Å; F1010-L1084 HydrophobicContact CG-CD1 3.99Å; F1010-L1084 HydrophobicContact CG-CD2 3.65Å; F1010-L1084 HydrophobicContact CG-CG 4.48Å; F1010-L1084 HydrophobicContact CZ-CD1 4.38Å; I1012-L1084 HydrophobicContact CD1-CD1 4.15Å; L1080-L1084 VanDerWaalsContact O-CB 3.27Å; L1080-L1084 WeakPolarHBondContact O-CB 3.04Å; L1080-L1084 PolarHBondContact O-N 2.96Å; V1081-L1084 CarbonylContact O-C 3.6Å; V1081-L1084 WeakPolarHBondContact O-CA 3.49Å; V1081-L1084 WeakPolarHBondContact O-CB 3.14Å; V1081-L1084 PolarHBondContact O-N 3.13Å; L1084-F1086 VanDerWaalsContact C-N 3.29Å; L1084-F1086 PolarHBondContact O-N 2.83Å; L1084-L1087 CarbonylContact O-C 3.11Å; L1084-L1087 PolarHBondContact O-N 3.48Å; L1084-C1088 WeakPolarHBondContact O-CB 3.42Å; L1084-C1088 PolarHBondContact O-N 3.14Å; L1084-C1088 PolarHBondContact O-SG 3.44Å; L1084-I1108 HydrophobicContact CD1-CD1 4.42Å |
| 1085 | D | 86.8 | Confident | 81.7 | Confident | 21 Ų | 21 | 26.1 Ų | 26.1 | 11% | 0.112 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -52.2 | -48.5 | 171.6 | -63.3 | 6.9 | 0 | 0 | 0 | 109.3 | H983 H987 V1081 H1082 L1087 C1088 D1089 | H983-D1085 IonicContact CE1-OD1 2.74Å; H983-D1085 IonicContact CE1-OD2 2.86Å; H983-D1085 PolarHBondContact CE1-OD2 2.78Å; H983-D1085 IonicContact ND1-OD1 3.78Å; H983-D1085 PolarHBondContact ND1-OD1 2.88Å; H983-D1085 VanDerWaalsContact ND1-OD1 3.1Å; H983-D1085 IonicContact ND1-OD2 2.63Å; H983-D1085 PolarHBondContact ND1-OD2 3.16Å; H983-D1085 VanDerWaalsContact ND1-OD2 3.14Å; H987-D1085 IonicContact CD2-OD1 3.88Å; H987-D1085 IonicContact NE2-OD1 2.74Å; H987-D1085 PolarHBondContact NE2-OD1 3.39Å; V1081-D1085 WeakPolarHBondContact O-CB 3.22Å; V1081-D1085 PolarHBondContact O-N 2.97Å; H1082-D1085 IonicContact ND1-OD2 3.8Å; D1085-L1087 PolarHBondContact O-N 3.08Å; D1085-C1088 PolarHBondContact O-N 3.37Å; D1085-D1089 VanDerWaalsContact O-CB 3.25Å; D1085-D1089 WeakPolarHBondContact O-CB 3.24Å; D1085-D1089 VanDerWaalsContact O-CG 3.31Å; D1085-D1089 PolarHBondContact O-N 3.06Å |
| 1086 | F | 85.4 | Confident | 80.4 | Confident | 34 Ų | 34 | 28.8 Ų | 28.8 | 15% | 0.149 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.8 | -47.8 | 173.5 | 171.4 | -89.7 | 0 | 0 | 0 | 112.7 | H1082 F1083 L1084 C1088 N1090 V1097 W1377 P1383 | H1082-F1086 VanDerWaalsContact O-CB 3.28Å; H1082-F1086 WeakPolarHBondContact O-CB 3.24Å; H1082-F1086 PolarHBondContact O-N 3.01Å; F1083-F1086 HydrophobicContact CD2-CD1 4.07Å; F1083-F1086 AromaticContact CE2-CD1 4Å; F1083-F1086 HydrophobicContact CE2-CD1 4Å; F1083-F1086 HydrophobicContact CE2-CE1 4.41Å; L1084-F1086 VanDerWaalsContact C-N 3.29Å; L1084-F1086 PolarHBondContact O-N 2.83Å; F1086-C1088 VanDerWaalsContact C-N 3.33Å; F1086-C1088 PolarHBondContact O-N 2.61Å; F1086-N1090 WeakPolarHBondContact O-CB 3.46Å; F1086-N1090 PolarHBondContact O-N 2.78Å; F1086-N1090 PolarHBondContact O-ND2 3.33Å; F1086-V1097 HydrophobicContact CE1-CG2 3.79Å; F1086-V1097 HydrophobicContact CZ-CG2 4.13Å; F1086-W1377 HydrophobicContact CB-CH2 3.98Å; F1086-W1377 HydrophobicContact CB-CZ2 4.35Å; F1086-P1383 HydrophobicContact CD1-CB 3.99Å; F1086-P1383 HydrophobicContact CD2-CB 4.03Å; F1086-P1383 HydrophobicContact CD2-CG 4.17Å; F1086-P1383 HydrophobicContact CE1-CB 3.78Å; F1086-P1383 HydrophobicContact CE2-CB 3.8Å; F1086-P1383 HydrophobicContact CE2-CG 4.31Å; F1086-P1383 HydrophobicContact CG-CB 4.13Å; F1086-P1383 HydrophobicContact CG-CG 4.36Å; F1086-P1383 HydrophobicContact CZ-CB 3.69Å |
| 1087 | L | 86.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.5 | -39.9 | 178 | -74.4 | 176.1 | 0 | 0 | 0 | 111.2 | I1012 F1083 L1084 D1085 R1091 V1097 L1100 L1101 I1106 I1108 | I1012-L1087 HydrophobicContact CD1-CB 3.93Å; F1083-L1087 HydrophobicContact CD1-CD1 4.03Å; F1083-L1087 HydrophobicContact CD1-CG 4.42Å; F1083-L1087 HydrophobicContact CE1-CD1 3.5Å; F1083-L1087 HydrophobicContact CE1-CD2 4.46Å; F1083-L1087 HydrophobicContact CE1-CG 3.98Å; F1083-L1087 HydrophobicContact CE2-CD2 4.27Å; F1083-L1087 HydrophobicContact CE2-CG 4.17Å; F1083-L1087 HydrophobicContact CZ-CD1 3.8Å; F1083-L1087 HydrophobicContact CZ-CD2 3.9Å; F1083-L1087 HydrophobicContact CZ-CG 3.83Å; F1083-L1087 WeakPolarHBondContact O-CB 3.22Å; F1083-L1087 VanDerWaalsContact O-CG 3.31Å; F1083-L1087 WeakPolarHBondContact O-CG 3.24Å; F1083-L1087 PolarHBondContact O-N 3.15Å; L1084-L1087 CarbonylContact O-C 3.11Å; L1084-L1087 PolarHBondContact O-N 3.48Å; D1085-L1087 PolarHBondContact O-N 3.08Å; L1087-R1091 WeakPolarHBondContact O-CA 3.19Å; L1087-R1091 VanDerWaalsContact O-CB 3.29Å; L1087-R1091 WeakPolarHBondContact O-CB 3.41Å; L1087-R1091 PolarHBondContact O-N 3.05Å; L1087-V1097 HydrophobicContact CD2-CG1 3.73Å; L1087-L1100 HydrophobicContact CD2-CD2 4.4Å; L1087-L1101 HydrophobicContact CD1-CD2 4.49Å; L1087-L1101 HydrophobicContact CD2-CD2 4.48Å; L1087-I1106 HydrophobicContact CD1-CD1 4.35Å; L1087-I1108 HydrophobicContact CD1-CD1 3.54Å |
| 1088 | C | 85.3 | Confident | 78.2 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.007 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -71.7 | -48.2 | -179.7 | -73.5 | 0 | 0 | 0 | 0 | 112.6 | C992 L1084 D1085 F1086 N1090 R1091 | C992-C1088 HydrophobicContact CB-CB 3.96Å; C992-C1088 WeakPolarHBondContact CB-SG 3.35Å; C992-C1088 WeakPolarHBondContact SG-CA 3.49Å; C992-C1088 WeakPolarHBondContact SG-CB 3.49Å; C992-C1088 CovalentContact SG-SG 2.04Å; C992-C1088 PolarHBondContact SG-SG 3.29Å; L1084-C1088 WeakPolarHBondContact O-CB 3.42Å; L1084-C1088 PolarHBondContact O-N 3.14Å; L1084-C1088 PolarHBondContact O-SG 3.44Å; D1085-C1088 PolarHBondContact O-N 3.37Å; F1086-C1088 VanDerWaalsContact C-N 3.33Å; F1086-C1088 PolarHBondContact O-N 2.61Å; C1088-N1090 PolarHBondContact O-N 3.02Å; C1088-R1091 VanDerWaalsContact O-CD 3.25Å; C1088-R1091 WeakPolarHBondContact O-CD 3.39Å; C1088-R1091 WeakPolarHBondContact O-CG 3.29Å; C1088-R1091 PolarHBondContact O-N 3.09Å; C1088-R1091 PolarHBondContact O-NH1 3.24Å |
| 1089 | D | 79 | Confident | 77 | Confident | 113 Ų | 113 | 32.5 Ų | 32.5 | 60% | 0.604 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -62.3 | -31.7 | 175.9 | -75.1 | -7.6 | 0 | 0 | 0 | 111.9 | D1085 S1093 | D1085-D1089 VanDerWaalsContact O-CB 3.25Å; D1085-D1089 WeakPolarHBondContact O-CB 3.24Å; D1085-D1089 VanDerWaalsContact O-CG 3.31Å; D1085-D1089 PolarHBondContact O-N 3.06Å; D1089-S1093 PolarHBondContact O-OG 3.1Å |
| 1090 | N | 75.3 | Confident | 76 | Confident | 27 Ų | 27 | 32.5 Ų | 32.5 | 14% | 0.144 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -102.1 | -0.9 | -176.4 | -58.5 | -92.4 | 0 | 0 | 0 | 114.3 | F1086 C1088 N1092 S1093 Q1094 V1097 | F1086-N1090 WeakPolarHBondContact O-CB 3.46Å; F1086-N1090 PolarHBondContact O-N 2.78Å; F1086-N1090 PolarHBondContact O-ND2 3.33Å; C1088-N1090 PolarHBondContact O-N 3.02Å; N1090-N1092 PolarHBondContact O-N 2.75Å; N1090-N1092 VanDerWaalsContact O-N 3.1Å; N1090-S1093 WeakPolarHBondContact CA-OG 3.34Å; N1090-S1093 PolarHBondContact O-N 3.1Å; N1090-S1093 PolarHBondContact OD1-OG 3.39Å; N1090-Q1094 HydrophobicContact CB-CB 4.22Å; N1090-Q1094 HydrophobicContact CB-CG 3.96Å; N1090-Q1094 VanDerWaalsContact CG-NE2 3.3Å; N1090-Q1094 PolarHBondContact O-N 2.86Å; N1090-Q1094 PolarHBondContact OD1-NE2 2.86Å; N1090-V1097 HydrophobicContact CB-CB 4.44Å; N1090-V1097 HydrophobicContact CB-CG1 4.44Å; N1090-V1097 HydrophobicContact CB-CG2 4.17Å |
| 1091 | R | 74.4 | Confident | 75.3 | Confident | 24 Ų | 24 | 32.5 Ų | 32.5 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -31.3 | 178.3 | 79.3 | -164.5 | -177.4 | -108.2 | 20.5 | 113.8 | E990 T1017 T1018 L1019 L1087 C1088 H1098 L1101 | E990-R1091 PolarHBondContact O-NH2 3.44Å; T1017-R1091 HydrophobicContact CG2-CB 4.4Å; T1017-R1091 HydrophobicContact CG2-CG 4.49Å; T1018-R1091 PolarHBondContact O-NE 2.98Å; L1019-R1091 HydrophobicContact CD2-CB 3.9Å; L1019-R1091 HydrophobicContact CD2-CG 4.37Å; L1019-R1091 WeakPolarHBondContact CD2-O 3.3Å; L1087-R1091 WeakPolarHBondContact O-CA 3.19Å; L1087-R1091 VanDerWaalsContact O-CB 3.29Å; L1087-R1091 WeakPolarHBondContact O-CB 3.41Å; L1087-R1091 PolarHBondContact O-N 3.05Å; C1088-R1091 VanDerWaalsContact O-CD 3.25Å; C1088-R1091 WeakPolarHBondContact O-CD 3.39Å; C1088-R1091 WeakPolarHBondContact O-CG 3.29Å; C1088-R1091 PolarHBondContact O-N 3.09Å; C1088-R1091 PolarHBondContact O-NH1 3.24Å; R1091-H1098 WeakPolarHBondContact O-CB 3.33Å; R1091-H1098 PolarHBondContact O-ND1 2.81Å; R1091-H1098 VanDerWaalsContact O-ND1 3.1Å; R1091-L1101 HydrophobicContact CB-CD1 3.8Å |
| 1092 | N | 70 | Confident | 74.3 | Confident | 56 Ų | 56 | 36.2 Ų | 36.2 | 30% | 0.299 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -4.1 | -179.1 | -59.4 | -28.5 | 0 | 0 | 0 | 113.3 | E1020 N1090 | E1020-N1092 WeakPolarHBondContact CB-ND2 3.47Å; E1020-N1092 PolarHBondContact N-OD1 2.91Å; N1090-N1092 PolarHBondContact O-N 2.75Å; N1090-N1092 VanDerWaalsContact O-N 3.1Å |
| 1093 | S | 61.1 | Low | 73.1 | Confident | 82 Ų | 82 | 37.3 Ų | 37.3 | 57% | 0.573 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -122.1 | -15.7 | -170.7 | 75.5 | 0 | 0 | 0 | 0 | 115.6 | D1089 N1090 | D1089-S1093 PolarHBondContact O-OG 3.1Å; N1090-S1093 WeakPolarHBondContact CA-OG 3.34Å; N1090-S1093 PolarHBondContact O-N 3.1Å; N1090-S1093 PolarHBondContact OD1-OG 3.39Å |
| 1094 | Q | 60.3 | Low | 72.2 | Confident | 51 Ų | 51 | 37.3 Ų | 37.3 | 24% | 0.238 | 22% | 0.216 | C | C | . | . | trans | -124.6 | 116.7 | 172.3 | -63.2 | -174.5 | 33.7 | 0 | 0 | 109.7 | K966 N1090 A1096 V1097 H1098 | K966-Q1094 VanDerWaalsContact NZ-NE2 3.14Å; N1090-Q1094 HydrophobicContact CB-CB 4.22Å; N1090-Q1094 HydrophobicContact CB-CG 3.96Å; N1090-Q1094 VanDerWaalsContact CG-NE2 3.3Å; N1090-Q1094 PolarHBondContact O-N 2.86Å; N1090-Q1094 PolarHBondContact OD1-NE2 2.86Å; Q1094-A1096 PolarHBondContact O-N 3.48Å; Q1094-V1097 HydrophobicContact CB-CB 4.25Å; Q1094-V1097 HydrophobicContact CB-CG2 4.02Å; Q1094-V1097 WeakPolarHBondContact O-CB 3.39Å; Q1094-V1097 PolarHBondContact O-N 3.44Å; Q1094-H1098 PolarHBondContact O-N 2.96Å | ||
| 1095 | L | 56.3 | Low | 71.8 | Confident | 96 Ų | 96 | 37.5 Ų | 37.5 | 50% | 0.503 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.7 | -29.4 | -174.9 | -170.3 | 128.4 | 0 | 0 | 0 | 113 | V1097 H1098 S1099 E1666 | L1095-V1097 PolarHBondContact O-N 3.28Å; L1095-H1098 PolarHBondContact O-N 2.81Å; L1095-S1099 WeakPolarHBondContact O-CB 3.3Å; L1095-S1099 PolarHBondContact O-N 2.77Å; L1095-E1666 VanDerWaalsContact CB-OE2 3.22Å; L1095-E1666 WeakPolarHBondContact CB-OE2 3.26Å; L1095-E1666 WeakPolarHBondContact CD1-OE2 3.34Å |
| 1096 | A | 57.2 | Low | 71.9 | Confident | 61 Ų | 61 | 36.5 Ų | 36.5 | 50% | 0.504 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.5 | -43.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q1094 L1100 | Q1094-A1096 PolarHBondContact O-N 3.48Å; A1096-L1100 VanDerWaalsContact O-CB 3.3Å; A1096-L1100 WeakPolarHBondContact O-CB 3.26Å; A1096-L1100 PolarHBondContact O-N 2.82Å |
| 1097 | V | 64.9 | Low | 72.3 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.1 | -45.5 | 176.2 | 177.6 | 0 | 0 | 0 | 0 | 110.6 | F1086 L1087 N1090 Q1094 L1095 S1099 L1100 L1101 | F1086-V1097 HydrophobicContact CE1-CG2 3.79Å; F1086-V1097 HydrophobicContact CZ-CG2 4.13Å; L1087-V1097 HydrophobicContact CD2-CG1 3.73Å; N1090-V1097 HydrophobicContact CB-CB 4.44Å; N1090-V1097 HydrophobicContact CB-CG1 4.44Å; N1090-V1097 HydrophobicContact CB-CG2 4.17Å; Q1094-V1097 HydrophobicContact CB-CB 4.25Å; Q1094-V1097 HydrophobicContact CB-CG2 4.02Å; Q1094-V1097 WeakPolarHBondContact O-CB 3.39Å; Q1094-V1097 PolarHBondContact O-N 3.44Å; L1095-V1097 PolarHBondContact O-N 3.28Å; V1097-S1099 VanDerWaalsContact C-N 3.35Å; V1097-S1099 PolarHBondContact O-N 3.3Å; V1097-L1100 WeakPolarHBondContact O-CB 3.2Å; V1097-L1100 PolarHBondContact O-N 3.36Å; V1097-L1101 HydrophobicContact CG1-CD1 3.99Å; V1097-L1101 HydrophobicContact CG1-CG 4.28Å; V1097-L1101 WeakPolarHBondContact O-CG 3.1Å; V1097-L1101 PolarHBondContact O-N 3.17Å |
| 1098 | H | 69.5 | Low | 72.6 | Confident | 29 Ų | 29 | 35 Ų | 35 | 13% | 0.134 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.3 | -46.2 | 175.8 | -173.7 | 97.7 | 0 | 0 | 0 | 112.2 | F1021 R1091 Q1094 L1095 L1100 L1101 N1102 | F1021-H1098 AromaticContact CD2-CE1 3.93Å; F1021-H1098 AromaticContact CE2-CE1 3.64Å; F1021-H1098 AromaticContact CE2-NE2 3.35Å; F1021-H1098 VanDerWaalsContact CE2-NE2 3.35Å; F1021-H1098 WeakPolarHBondContact CE2-NE2 3.39Å; F1021-H1098 AromaticContact CZ-NE2 3.91Å; R1091-H1098 WeakPolarHBondContact O-CB 3.33Å; R1091-H1098 PolarHBondContact O-ND1 2.81Å; R1091-H1098 VanDerWaalsContact O-ND1 3.1Å; Q1094-H1098 PolarHBondContact O-N 2.96Å; L1095-H1098 PolarHBondContact O-N 2.81Å; H1098-L1100 VanDerWaalsContact C-N 3.35Å; H1098-L1101 PolarHBondContact O-N 2.82Å; H1098-N1102 WeakPolarHBondContact O-CB 3.3Å; H1098-N1102 PolarHBondContact O-N 3.43Å |
| 1099 | S | 62.1 | Low | 73.1 | Confident | 54 Ų | 54 | 34.9 Ų | 34.9 | 38% | 0.378 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.5 | -37.1 | 176.9 | -173 | 0 | 0 | 0 | 0 | 111.8 | L1095 V1097 N1102 S1103 | L1095-S1099 WeakPolarHBondContact O-CB 3.3Å; L1095-S1099 PolarHBondContact O-N 2.77Å; V1097-S1099 VanDerWaalsContact C-N 3.35Å; V1097-S1099 PolarHBondContact O-N 3.3Å; S1099-N1102 PolarHBondContact O-N 2.91Å; S1099-S1103 VanDerWaalsContact O-CB 3.24Å; S1099-S1103 WeakPolarHBondContact O-CB 3.3Å; S1099-S1103 PolarHBondContact O-N 3.18Å; S1099-S1103 PolarHBondContact O-OG 2.95Å |
| 1100 | L | 68.2 | Low | 73.7 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.3 | -50.9 | 174.2 | -170 | 62.6 | 0 | 0 | 0 | 111 | L1087 A1096 V1097 H1098 N1102 S1103 A1104 I1106 A1387 I1390 Q1391 | L1087-L1100 HydrophobicContact CD2-CD2 4.4Å; A1096-L1100 VanDerWaalsContact O-CB 3.3Å; A1096-L1100 WeakPolarHBondContact O-CB 3.26Å; A1096-L1100 PolarHBondContact O-N 2.82Å; V1097-L1100 WeakPolarHBondContact O-CB 3.2Å; V1097-L1100 PolarHBondContact O-N 3.36Å; H1098-L1100 VanDerWaalsContact C-N 3.35Å; L1100-N1102 PolarHBondContact O-N 2.88Å; L1100-S1103 PolarHBondContact O-N 3.08Å; L1100-S1103 PolarHBondContact O-OG 2.99Å; L1100-A1104 PolarHBondContact O-N 3.4Å; L1100-I1106 HydrophobicContact CD2-CD1 4.41Å; L1100-I1106 HydrophobicContact CG-CD1 4.34Å; L1100-A1387 HydrophobicContact CD2-CB 4.25Å; L1100-I1390 HydrophobicContact CD1-CB 4.28Å; L1100-I1390 HydrophobicContact CD1-CG2 3.76Å; L1100-I1390 HydrophobicContact CD2-CB 4.21Å; L1100-I1390 HydrophobicContact CD2-CG2 4.04Å; L1100-I1390 HydrophobicContact CG-CG2 4.11Å; L1100-Q1391 HydrophobicContact CD1-CB 3.75Å; L1100-Q1391 HydrophobicContact CD1-CG 4.3Å |
| 1101 | L | 77.2 | Confident | 74.6 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -73.8 | -4.6 | 179.8 | -60 | -175.4 | 0 | 0 | 0 | 114.4 | I1012 G1013 P1014 T1017 L1019 L1087 R1091 V1097 H1098 I1106 | I1012-L1101 HydrophobicContact CB-CD2 4.5Å; I1012-L1101 HydrophobicContact CD1-CD1 3.58Å; I1012-L1101 HydrophobicContact CD1-CD2 3.81Å; I1012-L1101 HydrophobicContact CD1-CG 4.33Å; I1012-L1101 HydrophobicContact CG1-CD1 3.97Å; I1012-L1101 HydrophobicContact CG1-CD2 3.8Å; I1012-L1101 HydrophobicContact CG1-CG 4.44Å; I1012-L1101 HydrophobicContact CG2-CD2 4.06Å; G1013-L1101 CarbonylContact C-O 3.37Å; G1013-L1101 VanDerWaalsContact C-O 3.23Å; G1013-L1101 VanDerWaalsContact CA-O 3.24Å; G1013-L1101 WeakPolarHBondContact CA-O 3.39Å; P1014-L1101 VanDerWaalsContact CD-O 3.23Å; P1014-L1101 WeakPolarHBondContact CD-O 3.27Å; T1017-L1101 HydrophobicContact CG2-CD1 4.35Å; L1019-L1101 HydrophobicContact CD2-CB 4.23Å; L1087-L1101 HydrophobicContact CD1-CD2 4.49Å; L1087-L1101 HydrophobicContact CD2-CD2 4.48Å; R1091-L1101 HydrophobicContact CB-CD1 3.8Å; V1097-L1101 HydrophobicContact CG1-CD1 3.99Å; V1097-L1101 HydrophobicContact CG1-CG 4.28Å; V1097-L1101 WeakPolarHBondContact O-CG 3.1Å; V1097-L1101 PolarHBondContact O-N 3.17Å; H1098-L1101 PolarHBondContact O-N 2.82Å; L1101-I1106 HydrophobicContact CD2-CD1 3.71Å |
| 1102 | N | 71.1 | Confident | 75.5 | Confident | 80 Ų | 80 | 27.5 Ų | 27.5 | 43% | 0.428 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -105.3 | -21.1 | 170.5 | -163.8 | 29.7 | 0 | 0 | 0 | 112.5 | L1019 H1098 S1099 L1100 | L1019-N1102 HydrophobicContact CD1-CB 4Å; H1098-N1102 WeakPolarHBondContact O-CB 3.3Å; H1098-N1102 PolarHBondContact O-N 3.43Å; S1099-N1102 PolarHBondContact O-N 2.91Å; L1100-N1102 PolarHBondContact O-N 2.88Å |
| 1103 | S | 63.4 | Low | 76.7 | Confident | 47 Ų | 47 | 24.9 Ų | 24.9 | 33% | 0.329 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -97.9 | -21.9 | 180 | 59.5 | 0 | 0 | 0 | 0 | 114.3 | P1061 S1099 L1100 | P1061-S1103 VanDerWaalsContact CD-O 3.27Å; P1061-S1103 WeakPolarHBondContact CD-O 3.1Å; P1061-S1103 VanDerWaalsContact CG-O 3.3Å; P1061-S1103 WeakPolarHBondContact CG-O 3.24Å; S1099-S1103 VanDerWaalsContact O-CB 3.24Å; S1099-S1103 WeakPolarHBondContact O-CB 3.3Å; S1099-S1103 PolarHBondContact O-N 3.18Å; S1099-S1103 PolarHBondContact O-OG 2.95Å; L1100-S1103 PolarHBondContact O-N 3.08Å; L1100-S1103 PolarHBondContact O-OG 2.99Å |
| 1104 | A | 71.2 | Confident | 78.2 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -133.2 | 146.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | P1014 P1061 I1063 L1100 | P1014-A1104 WeakPolarHBondContact CD-O 3.33Å; P1061-A1104 HydrophobicContact CG-CB 4.17Å; P1061-A1104 WeakPolarHBondContact O-CA 3.26Å; I1063-A1104 HydrophobicContact CD1-CB 3.87Å; I1063-A1104 HydrophobicContact CG1-CB 4.35Å; L1100-A1104 PolarHBondContact O-N 3.4Å | ||
| 1105 | I | 82.5 | Confident | 79.7 | Confident | 7 Ų | 7 | 18.8 Ų | 18.8 | 4% | 0.036 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 132.9 | 159.5 | -59.1 | 169.7 | 0 | 0 | 0 | 106.2 | E1011 P1014 Y1016 I1060 P1061 K1062 I1063 Y1217 | E1011-I1105 HydrophobicContact CG-CG2 3.52Å; E1011-I1105 WeakPolarHBondContact OE1-CG2 3.31Å; P1014-I1105 HydrophobicContact CG-CG1 4.16Å; Y1016-I1105 HydrophobicContact CE2-CG2 4.3Å; I1060-I1105 HydrophobicContact CG2-CD1 4.43Å; I1060-I1105 HydrophobicContact CG2-CG1 4.04Å; P1061-I1105 PolarHBondContact O-N 3.29Å; K1062-I1105 HydrophobicContact CG-CD1 4.48Å; I1063-I1105 WeakPolarHBondContact CA-O 3.27Å; I1063-I1105 PolarHBondContact N-O 3.21Å; I1105-Y1217 WeakPolarHBondContact CG2-OH 3.39Å |
| 1106 | I | 89.3 | Confident | 81.4 | Confident | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 130.2 | 176.2 | -43.9 | 164 | 0 | 0 | 0 | 107 | I1012 I1063 V1065 L1087 L1100 L1101 I1108 I1390 | I1012-I1106 HydrophobicContact CG2-CB 3.79Å; I1012-I1106 HydrophobicContact CG2-CD1 4.38Å; I1012-I1106 VanDerWaalsContact CG2-O 3.28Å; I1012-I1106 WeakPolarHBondContact CG2-O 3.25Å; I1012-I1106 PolarHBondContact N-O 3.41Å; I1012-I1106 PolarHBondContact O-N 3.08Å; I1063-I1106 HydrophobicContact CB-CG1 4.43Å; I1063-I1106 HydrophobicContact CG2-CG2 4.48Å; I1063-I1106 CarbonylContact O-C 3.59Å; I1063-I1106 VanDerWaalsContact O-CA 3.3Å; I1063-I1106 WeakPolarHBondContact O-CA 3.31Å; V1065-I1106 HydrophobicContact CG2-CG2 3.78Å; L1087-I1106 HydrophobicContact CD1-CD1 4.35Å; L1100-I1106 HydrophobicContact CD2-CD1 4.41Å; L1100-I1106 HydrophobicContact CG-CD1 4.34Å; L1101-I1106 HydrophobicContact CD2-CD1 3.71Å; I1106-I1108 HydrophobicContact CG2-CD1 4.22Å; I1106-I1108 HydrophobicContact CG2-CG1 3.79Å; I1106-I1390 HydrophobicContact CD1-CD1 4.38Å; I1106-I1390 HydrophobicContact CD1-CG2 3.73Å; I1106-I1390 HydrophobicContact CG1-CG2 4Å |
| 1107 | T | 92.6 | Very high | 82.9 | Confident | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 120.3 | 168.8 | -32.6 | 0 | 0 | 0 | 0 | 109.4 | A1009 F1010 E1011 I1063 A1064 V1065 I1109 W1213 Y1217 D1595 | A1009-T1107 HydrophobicContact CB-CG2 4.27Å; F1010-T1107 CarbonylContact O-C 3.54Å; F1010-T1107 WeakPolarHBondContact O-CA 3.18Å; E1011-T1107 HydrophobicContact CB-CG2 3.97Å; E1011-T1107 HydrophobicContact CG-CG2 4.3Å; I1063-T1107 PolarHBondContact O-N 3.25Å; A1064-T1107 CarbonylContact C-O 3.54Å; A1064-T1107 VanDerWaalsContact CA-O 3.31Å; A1064-T1107 WeakPolarHBondContact CA-O 3.43Å; V1065-T1107 PolarHBondContact N-O 2.95Å; T1107-I1109 HydrophobicContact CG2-CD1 3.71Å; T1107-I1109 HydrophobicContact CG2-CG1 4.34Å; T1107-I1109 WeakPolarHBondContact O-CG1 3.47Å; T1107-W1213 HydrophobicContact CG2-CH2 4.45Å; T1107-W1213 HydrophobicContact CG2-CZ2 4.03Å; T1107-Y1217 VanDerWaalsContact OG1-CZ 3.29Å; T1107-Y1217 PolarHBondContact OG1-OH 3.18Å; T1107-Y1217 VanDerWaalsContact OG1-OH 3.1Å; T1107-D1595 HydrophobicContact CG2-CB 4.2Å; T1107-D1595 WeakPolarHBondContact CG2-OD1 3.44Å |
| 1108 | I | 94.5 | Very high | 84.1 | Confident | 2 Ų | 2 | 13 Ų | 13 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 125.6 | -172.5 | -56.3 | -177.1 | 0 | 0 | 0 | 111.9 | A1009 F1010 I1012 V1065 L1080 F1083 L1084 L1087 I1106 P1110 | A1009-I1108 VanDerWaalsContact CB-O 3.31Å; A1009-I1108 WeakPolarHBondContact CB-O 3.24Å; F1010-I1108 PolarHBondContact N-O 2.83Å; F1010-I1108 PolarHBondContact O-N 3.07Å; I1012-I1108 HydrophobicContact CG2-CD1 4.28Å; I1012-I1108 HydrophobicContact CG2-CG1 4.5Å; V1065-I1108 HydrophobicContact CB-CG1 4.25Å; V1065-I1108 HydrophobicContact CB-CG2 4.48Å; V1065-I1108 HydrophobicContact CG2-CG1 4.25Å; L1080-I1108 HydrophobicContact CB-CG2 4.1Å; L1080-I1108 HydrophobicContact CD2-CG2 4.47Å; F1083-I1108 HydrophobicContact CD1-CD1 4.23Å; F1083-I1108 HydrophobicContact CE1-CD1 4.35Å; L1084-I1108 HydrophobicContact CD1-CD1 4.42Å; L1087-I1108 HydrophobicContact CD1-CD1 3.54Å; I1106-I1108 HydrophobicContact CG2-CD1 4.22Å; I1106-I1108 HydrophobicContact CG2-CG1 3.79Å; I1108-P1110 WeakPolarHBondContact O-CD 3.13Å |
| 1109 | I | 94.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 82.3 | -139 | -57.7 | -106.7 | 0 | 0 | 0 | 109.1 | A1009 V1065 I1066 G1067 T1107 D1595 N1596 V1597 | A1009-I1109 HydrophobicContact CB-CB 4.07Å; A1009-I1109 HydrophobicContact CB-CD1 3.18Å; A1009-I1109 HydrophobicContact CB-CG1 3.64Å; A1009-I1109 HydrophobicContact CB-CG2 4.45Å; V1065-I1109 WeakPolarHBondContact O-CA 3.45Å; V1065-I1109 VanDerWaalsContact O-CB 3.3Å; V1065-I1109 WeakPolarHBondContact O-CB 3.32Å; V1065-I1109 PolarHBondContact O-N 3.43Å; I1066-I1109 CarbonylContact C-O 3.33Å; I1066-I1109 VanDerWaalsContact CA-O 3.25Å; I1066-I1109 WeakPolarHBondContact CA-O 3.18Å; I1066-I1109 HydrophobicContact CB-CG2 4.17Å; I1066-I1109 HydrophobicContact CG1-CB 4.29Å; I1066-I1109 HydrophobicContact CG1-CG2 3.44Å; I1066-I1109 VanDerWaalsContact CG1-CG2 3.44Å; G1067-I1109 PolarHBondContact N-O 2.78Å; T1107-I1109 HydrophobicContact CG2-CD1 3.71Å; T1107-I1109 HydrophobicContact CG2-CG1 4.34Å; T1107-I1109 WeakPolarHBondContact O-CG1 3.47Å; I1109-D1595 HydrophobicContact CD1-CB 3.57Å; I1109-N1596 HydrophobicContact CD1-CB 4.43Å; I1109-N1596 WeakPolarHBondContact CD1-OD1 3.11Å; I1109-N1596 HydrophobicContact CG2-CB 3.67Å; I1109-N1596 WeakPolarHBondContact CG2-OD1 3.07Å; I1109-V1597 HydrophobicContact CB-CB 4.28Å; I1109-V1597 HydrophobicContact CB-CG1 4.17Å; I1109-V1597 HydrophobicContact CD1-CB 3.59Å; I1109-V1597 HydrophobicContact CD1-CG1 4.33Å; I1109-V1597 HydrophobicContact CD1-CG2 3.36Å; I1109-V1597 HydrophobicContact CG1-CB 3.63Å; I1109-V1597 HydrophobicContact CG1-CG1 3.82Å; I1109-V1597 HydrophobicContact CG1-CG2 3.6Å; I1109-V1597 HydrophobicContact CG2-CB 4.39Å; I1109-V1597 HydrophobicContact CG2-CG1 4.49Å |
| 1110 | P | 92.7 | Very high | 85.9 | Confident | 4 Ų | 4 | 14.3 Ų | 14.3 | 3% | 0.026 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -27.5 | -165.7 | 30.2 | -32.5 | 0 | 0 | 0 | 113.9 | I980 M984 N1068 P1077 I1108 | I980-P1110 HydrophobicContact CG2-CB 4Å; I980-P1110 HydrophobicContact CG2-CG 3.76Å; M984-P1110 HydrophobicContact CE-CG 3.96Å; M984-P1110 HydrophobicContact SD-CG 3.41Å; M984-P1110 WeakPolarHBondContact SD-CG 3.35Å; N1068-P1110 WeakPolarHBondContact CB-O 3.41Å; P1077-P1110 HydrophobicContact CB-CB 4.34Å; I1108-P1110 WeakPolarHBondContact O-CD 3.13Å |
| 1111 | I | 94 | Very high | 86.5 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 78.5 | -167 | -47.9 | 170.2 | 0 | 0 | 0 | 112.9 | P977 I980 Y981 P1114 L1117 | P977-I1111 HydrophobicContact CB-CD1 4.21Å; I980-I1111 HydrophobicContact CB-CD1 4.12Å; I980-I1111 HydrophobicContact CD1-CD1 4.33Å; I980-I1111 HydrophobicContact CG2-CD1 3.85Å; I980-I1111 HydrophobicContact CG2-CG1 4.48Å; Y981-I1111 HydrophobicContact CD1-CD1 4.13Å; Y981-I1111 HydrophobicContact CE1-CB 3.87Å; Y981-I1111 HydrophobicContact CE1-CD1 3.65Å; Y981-I1111 HydrophobicContact CE1-CG1 4.13Å; Y981-I1111 HydrophobicContact CE2-CD1 4.44Å; Y981-I1111 WeakPolarHBondContact OH-CB 3.45Å; Y981-I1111 WeakPolarHBondContact OH-CG2 3.47Å; Y981-I1111 PolarHBondContact OH-O 2.92Å; I1111-P1114 HydrophobicContact CG2-CB 4.01Å; I1111-L1117 HydrophobicContact CB-CD2 4.34Å; I1111-L1117 HydrophobicContact CD1-CD2 3.63Å; I1111-L1117 HydrophobicContact CG1-CD2 3.65Å; I1111-L1117 HydrophobicContact CG2-CB 4.2Å; I1111-L1117 HydrophobicContact CG2-CD2 3.72Å |
| 1112 | P | 93.1 | Very high | 86.3 | Confident | 5 Ų | 5 | 22.7 Ų | 22.7 | 3% | 0.032 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -76.2 | -19.6 | 169.2 | 25.2 | -29 | 0 | 0 | 0 | 114.6 | I1066 G1067 L1069 P1114 N1596 | I1066-P1112 HydrophobicContact CG1-CG 4.27Å; G1067-P1112 WeakPolarHBondContact O-CD 3.39Å; G1067-P1112 WeakPolarHBondContact O-CG 3.45Å; L1069-P1112 HydrophobicContact CD1-CB 4.06Å; L1069-P1112 HydrophobicContact CD1-CG 3.58Å; L1069-P1112 HydrophobicContact CG-CG 4.15Å; P1112-P1114 VanDerWaalsContact O-CD 3.24Å; P1112-P1114 WeakPolarHBondContact O-CD 3.17Å; P1112-N1596 WeakPolarHBondContact CA-ND2 3.32Å; P1112-N1596 HydrophobicContact CB-CB 4.19Å; P1112-N1596 VanDerWaalsContact CB-ND2 3.27Å; P1112-N1596 WeakPolarHBondContact CB-ND2 3.47Å |
| 1113 | N | 94.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | -117.3 | 65.6 | 178.1 | -169.7 | -6.4 | 0 | 0 | 0 | 111 | N1068 L1069 G1071 D1115 G1116 L1117 N1164 L1170 | N1068-N1113 WeakPolarHBondContact O-CB 3.34Å; L1069-N1113 WeakPolarHBondContact O-CB 3.32Å; L1069-N1113 PolarHBondContact O-ND2 3.05Å; G1071-N1113 PolarHBondContact N-ND2 3.23Å; N1113-D1115 VanDerWaalsContact C-N 3.28Å; N1113-D1115 PolarHBondContact O-N 2.83Å; N1113-G1116 PolarHBondContact O-N 3.33Å; N1113-G1116 VanDerWaalsContact O-N 3.13Å; N1113-G1116 WeakPolarHBondContact OD1-CA 3.33Å; N1113-G1116 PolarHBondContact OD1-N 3.5Å; N1113-L1117 PolarHBondContact O-N 2.57Å; N1113-N1164 WeakPolarHBondContact OD1-CA 3.4Å; N1113-L1170 HydrophobicContact CB-CD1 3.88Å | ||
| 1114 | P | 93.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.9 | -37.5 | -178.8 | 25.4 | -33.8 | 0 | 0 | 0 | 111.5 | R1005 I1007 I1111 P1112 G1116 L1117 Y1118 | R1005-P1114 HydrophobicContact CB-CB 4.32Å; R1005-P1114 HydrophobicContact CB-CG 4.06Å; I1007-P1114 HydrophobicContact CG1-CG 4.13Å; I1111-P1114 HydrophobicContact CG2-CB 4.01Å; P1112-P1114 VanDerWaalsContact O-CD 3.24Å; P1112-P1114 WeakPolarHBondContact O-CD 3.17Å; P1114-G1116 PolarHBondContact O-N 2.89Å; P1114-L1117 PolarHBondContact O-N 3.46Å; P1114-Y1118 HydrophobicContact CB-CD2 3.97Å; P1114-Y1118 HydrophobicContact CB-CE2 4.08Å; P1114-Y1118 WeakPolarHBondContact O-CB 3.24Å; P1114-Y1118 WeakPolarHBondContact O-CD2 3.2Å; P1114-Y1118 PolarHBondContact O-N 2.69Å |
| 1115 | D | 92.8 | Very high | 84.7 | Confident | 6 Ų | 6 | 25 Ų | 25 | 3% | 0.032 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.9 | -35.4 | 177.2 | -75.3 | 2.5 | 0 | 0 | 0 | 112.8 | S1001 H1002 L1003 R1005 N1113 K1119 G1165 | S1001-D1115 VanDerWaalsContact CB-CG 3.41Å; S1001-D1115 WeakPolarHBondContact CB-OD1 3.35Å; S1001-D1115 WeakPolarHBondContact CB-OD2 3.35Å; S1001-D1115 PolarHBondContact OG-OD1 3.42Å; S1001-D1115 PolarHBondContact OG-OD2 3.2Å; S1001-D1115 VanDerWaalsContact OG-OD2 3.13Å; H1002-D1115 PolarHBondContact N-OD2 2.64Å; L1003-D1115 VanDerWaalsContact CB-OD2 3.26Å; L1003-D1115 WeakPolarHBondContact CB-OD2 3.5Å; L1003-D1115 HydrophobicContact CD1-CB 4.4Å; L1003-D1115 WeakPolarHBondContact CG-OD2 3.41Å; L1003-D1115 PolarHBondContact N-OD2 2.67Å; R1005-D1115 WeakPolarHBondContact CD-OD1 3.47Å; R1005-D1115 IonicContact CZ-OD1 2.72Å; R1005-D1115 IonicContact NE-OD1 3.78Å; R1005-D1115 IonicContact NH1-OD1 2.63Å; R1005-D1115 PolarHBondContact NH1-OD1 2.75Å; N1113-D1115 VanDerWaalsContact C-N 3.28Å; N1113-D1115 PolarHBondContact O-N 2.83Å; D1115-K1119 WeakPolarHBondContact O-CB 2.89Å; D1115-G1165 WeakPolarHBondContact OD2-CA 3.37Å |
| 1116 | G | 90.5 | Very high | 83 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.8 | -55.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112 | N1113 P1114 Y1118 K1119 A1120 G1161 | N1113-G1116 PolarHBondContact O-N 3.33Å; N1113-G1116 VanDerWaalsContact O-N 3.13Å; N1113-G1116 WeakPolarHBondContact OD1-CA 3.33Å; N1113-G1116 PolarHBondContact OD1-N 3.5Å; P1114-G1116 PolarHBondContact O-N 2.89Å; G1116-Y1118 PolarHBondContact O-N 2.95Å; G1116-K1119 WeakPolarHBondContact O-CA 3.14Å; G1116-K1119 VanDerWaalsContact O-CB 3.31Å; G1116-K1119 WeakPolarHBondContact O-CB 3.43Å; G1116-K1119 PolarHBondContact O-N 2.98Å; G1116-A1120 PolarHBondContact O-N 2.9Å; G1116-G1161 CarbonylContact C-O 3.49Å; G1116-G1161 WeakPolarHBondContact CA-O 3.37Å; G1116-G1161 WeakPolarHBondContact O-CA 3.26Å |
| 1117 | L | 89.9 | Confident | 81.1 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65 | -42.3 | -173.9 | -176.5 | 63.4 | 0 | 0 | 0 | 113.4 | P977 G1071 Q1074 P1077 I1111 N1113 P1114 K1119 A1120 W1121 | P977-L1117 HydrophobicContact CB-CD2 4.04Å; P977-L1117 HydrophobicContact CB-CG 4.32Å; P977-L1117 HydrophobicContact CG-CD2 3.91Å; P977-L1117 HydrophobicContact CG-CG 3.78Å; G1071-L1117 VanDerWaalsContact O-CA 3.25Å; G1071-L1117 WeakPolarHBondContact O-CA 3.44Å; G1071-L1117 VanDerWaalsContact O-CD1 3.25Å; G1071-L1117 WeakPolarHBondContact O-CD1 3.06Å; Q1074-L1117 HydrophobicContact CG-CD1 4.11Å; P1077-L1117 HydrophobicContact CG-CD2 4.45Å; I1111-L1117 HydrophobicContact CB-CD2 4.34Å; I1111-L1117 HydrophobicContact CD1-CD2 3.63Å; I1111-L1117 HydrophobicContact CG1-CD2 3.65Å; I1111-L1117 HydrophobicContact CG2-CB 4.2Å; I1111-L1117 HydrophobicContact CG2-CD2 3.72Å; N1113-L1117 PolarHBondContact O-N 2.57Å; P1114-L1117 PolarHBondContact O-N 3.46Å; L1117-K1119 PolarHBondContact O-N 3.43Å; L1117-A1120 PolarHBondContact O-N 3.42Å; L1117-W1121 WeakPolarHBondContact O-CB 3.21Å; L1117-W1121 PolarHBondContact O-N 3.28Å |
| 1118 | Y | 90 | Very high | 78.9 | Confident | 34 Ų | 34 | 42.2 Ų | 42.2 | 13% | 0.133 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62 | -25.3 | 173.3 | -82.2 | -76.6 | 0 | 0 | 0 | 113 | P977 D978 Y981 P1114 G1116 K1122 | P977-Y1118 HydrophobicContact CB-CD1 4.25Å; P977-Y1118 HydrophobicContact CB-CD2 4.44Å; P977-Y1118 HydrophobicContact CB-CE1 3.91Å; P977-Y1118 HydrophobicContact CB-CE2 4.08Å; P977-Y1118 HydrophobicContact CG-CD1 4.44Å; P977-Y1118 HydrophobicContact CG-CE1 4.48Å; D978-Y1118 VanDerWaalsContact OD1-CE1 3.31Å; D978-Y1118 WeakPolarHBondContact OD1-CE1 3.32Å; D978-Y1118 PolarHBondContact OD1-OH 3.21Å; D978-Y1118 WeakPolarHBondContact OD2-CE1 3.34Å; Y981-Y1118 HydrophobicContact CE2-CE2 4.15Å; P1114-Y1118 HydrophobicContact CB-CD2 3.97Å; P1114-Y1118 HydrophobicContact CB-CE2 4.08Å; P1114-Y1118 WeakPolarHBondContact O-CB 3.24Å; P1114-Y1118 WeakPolarHBondContact O-CD2 3.2Å; P1114-Y1118 PolarHBondContact O-N 2.69Å; G1116-Y1118 PolarHBondContact O-N 2.95Å; Y1118-K1122 VanDerWaalsContact O-CG 3.3Å; Y1118-K1122 WeakPolarHBondContact O-CG 3.05Å; Y1118-K1122 PolarHBondContact O-N 3.38Å |
| 1119 | K | 86 | Confident | 76 | Confident | 105 Ų | 105 | 49.3 Ų | 49.3 | 46% | 0.457 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -79.2 | -42.4 | 175.1 | 179.9 | 178.9 | 176.9 | -176.1 | 0 | 111.1 | D1115 G1116 L1117 | D1115-K1119 WeakPolarHBondContact O-CB 2.89Å; G1116-K1119 WeakPolarHBondContact O-CA 3.14Å; G1116-K1119 VanDerWaalsContact O-CB 3.31Å; G1116-K1119 WeakPolarHBondContact O-CB 3.43Å; G1116-K1119 PolarHBondContact O-N 2.98Å; L1117-K1119 PolarHBondContact O-N 3.43Å |
| 1120 | A | 82 | Confident | 73.4 | Confident | 6 Ų | 6 | 54 Ų | 54 | 5% | 0.05 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | G1116 L1117 D1123 Y1124 T1160 | G1116-A1120 PolarHBondContact O-N 2.9Å; L1117-A1120 PolarHBondContact O-N 3.42Å; A1120-D1123 PolarHBondContact O-N 2.9Å; A1120-Y1124 PolarHBondContact O-N 3.46Å; A1120-T1160 WeakPolarHBondContact CA-O 3.23Å; A1120-T1160 VanDerWaalsContact CB-O 3.25Å; A1120-T1160 WeakPolarHBondContact CB-O 3.35Å |
| 1121 | W | 81.3 | Confident | 70.6 | Confident | 47 Ų | 47 | 60.5 Ų | 60.5 | 18% | 0.178 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -71.6 | -33 | -174.5 | -155.3 | -96 | 0 | 0 | 0 | 113.9 | F974 N975 G976 P977 Q1074 L1117 Y1124 S1125 | F974-W1121 AromaticContact CD1-CH2 3.76Å; F974-W1121 HydrophobicContact CD1-CH2 3.76Å; F974-W1121 HydrophobicContact CD1-CZ2 4.42Å; F974-W1121 AromaticContact CE1-CH2 3.24Å; F974-W1121 HydrophobicContact CE1-CH2 3.24Å; F974-W1121 HydrophobicContact CE1-CZ2 4.11Å; F974-W1121 AromaticContact CE1-CZ3 3.77Å; F974-W1121 HydrophobicContact CE1-CZ3 3.77Å; F974-W1121 HydrophobicContact CE2-CH2 4.47Å; F974-W1121 AromaticContact CZ-CH2 3.65Å; F974-W1121 HydrophobicContact CZ-CH2 3.65Å; F974-W1121 AromaticContact CZ-CZ3 3.75Å; F974-W1121 HydrophobicContact CZ-CZ3 3.75Å; N975-W1121 VanDerWaalsContact O-CH2 3.23Å; N975-W1121 WeakPolarHBondContact O-CH2 3.2Å; G976-W1121 VanDerWaalsContact CA-CE2 3.41Å; P977-W1121 VanDerWaalsContact CD-CG 3.48Å; P977-W1121 HydrophobicContact CG-CB 3.93Å; P977-W1121 HydrophobicContact CG-CD2 4.17Å; P977-W1121 HydrophobicContact CG-CE3 4.45Å; P977-W1121 HydrophobicContact CG-CG 3.92Å; Q1074-W1121 HydrophobicContact CB-CZ3 4.33Å; Q1074-W1121 HydrophobicContact CG-CE3 4.32Å; Q1074-W1121 HydrophobicContact CG-CZ3 4.28Å; L1117-W1121 WeakPolarHBondContact O-CB 3.21Å; L1117-W1121 PolarHBondContact O-N 3.28Å; W1121-Y1124 WeakPolarHBondContact O-CB 3.39Å; W1121-Y1124 PolarHBondContact O-N 2.94Å; W1121-S1125 PolarHBondContact O-N 3.16Å |
| 1122 | K | 73.3 | Confident | 67.8 | Low | 131 Ų | 131 | 71.2 Ų | 71.2 | 57% | 0.57 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.8 | -40.7 | 175.3 | -80.4 | 177.1 | -179.9 | -175.5 | 0 | 112.2 | Y1118 Y1124 S1125 M1126 | Y1118-K1122 VanDerWaalsContact O-CG 3.3Å; Y1118-K1122 WeakPolarHBondContact O-CG 3.05Å; Y1118-K1122 PolarHBondContact O-N 3.38Å; K1122-Y1124 VanDerWaalsContact C-N 3.31Å; K1122-S1125 PolarHBondContact O-N 2.67Å; K1122-S1125 PolarHBondContact O-OG 3.46Å; K1122-M1126 PolarHBondContact O-N 3.39Å |
| 1123 | D | 61.1 | Low | 65.1 | Low | 64 Ų | 64 | 79.8 Ų | 79.8 | 34% | 0.342 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.5 | -33.5 | 173.5 | -77.1 | -39.9 | 0 | 0 | 0 | 111.8 | A1120 T1160 | A1120-D1123 PolarHBondContact O-N 2.9Å; D1123-T1160 WeakPolarHBondContact OD2-CB 3.22Å; D1123-T1160 WeakPolarHBondContact OD2-CG2 3.17Å |
| 1124 | Y | 59.8 | Low | 62.2 | Low | 47 Ų | 47 | 86 Ų | 86 | 18% | 0.184 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -63.3 | -45.5 | 171.4 | -171.5 | -101.5 | 0 | 0 | 0 | 112.3 | F974 A1120 W1121 K1122 M1126 L1127 H1146 | F974-Y1124 HydrophobicContact CE1-CE1 4.05Å; A1120-Y1124 PolarHBondContact O-N 3.46Å; W1121-Y1124 WeakPolarHBondContact O-CB 3.39Å; W1121-Y1124 PolarHBondContact O-N 2.94Å; K1122-Y1124 VanDerWaalsContact C-N 3.31Å; Y1124-M1126 PolarHBondContact O-N 3.08Å; Y1124-M1126 VanDerWaalsContact O-N 3.12Å; Y1124-L1127 WeakPolarHBondContact O-CB 3.18Å; Y1124-L1127 PolarHBondContact O-N 3.41Å; Y1124-H1146 AromaticContact CE2-CD2 3.54Å; Y1124-H1146 AromaticContact CE2-NE2 3.83Å; Y1124-H1146 AromaticContact CZ-NE2 3.87Å; Y1124-H1146 PolarHBondContact OH-NE2 2.9Å |
| 1125 | S | 50.6 | Low | 59.5 | Low | 63 Ų | 63 | 98.1 Ų | 98.1 | 44% | 0.441 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.1 | -21.5 | -178.5 | 73.8 | 0 | 0 | 0 | 0 | 115 | W1121 K1122 L1127 S1128 | W1121-S1125 PolarHBondContact O-N 3.16Å; K1122-S1125 PolarHBondContact O-N 2.67Å; K1122-S1125 PolarHBondContact O-OG 3.46Å; S1125-L1127 VanDerWaalsContact C-N 3.33Å; S1125-S1128 PolarHBondContact O-OG 3.35Å |
| 1126 | M | 47.5 | Very low | 56.7 | Low | 168 Ų | 168 | 106.8 Ų | 106.8 | 83% | 0.828 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -8.8 | 173.8 | -71.9 | -160.2 | 174.6 | 0 | 0 | 113.8 | K1122 Y1124 | K1122-M1126 PolarHBondContact O-N 3.39Å; Y1124-M1126 PolarHBondContact O-N 3.08Å; Y1124-M1126 VanDerWaalsContact O-N 3.12Å |
| 1127 | L | 49.5 | Very low | 54.4 | Low | 130 Ų | 130 | 115.6 Ų | 115.6 | 68% | 0.681 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -19.9 | 176.7 | -60.2 | 171.6 | 0 | 0 | 0 | 112.3 | Y1124 S1125 L1129 | Y1124-L1127 WeakPolarHBondContact O-CB 3.18Å; Y1124-L1127 PolarHBondContact O-N 3.41Å; S1125-L1127 VanDerWaalsContact C-N 3.33Å; L1127-L1129 PolarHBondContact O-N 3.01Å |
| 1128 | S | 45.7 | Very low | 52 | Low | 72 Ų | 72 | 123.3 Ų | 123.3 | 50% | 0.503 | 61% | 0.607 | S | S | . | * | trans | -91.1 | 44.1 | -172.1 | 58.7 | 0 | 0 | 0 | 0 | 114.7 | S1125 P1130 | S1125-S1128 PolarHBondContact O-OG 3.35Å; S1128-P1130 VanDerWaalsContact C-CD 3.44Å; S1128-P1130 WeakPolarHBondContact O-CD 3.32Å | ||
| 1129 | L | 33.7 | Very low | 49.8 | Very low | 151 Ų | 151 | 124.5 Ų | 124.5 | 79% | 0.791 | 62% | 0.62 | S | S | * | * | trans | -116.7 | 76.1 | 168 | -97.7 | 169.3 | 0 | 0 | 0 | 110.9 | L1127 T1131 | L1127-L1129 PolarHBondContact O-N 3.01Å; L1129-T1131 PolarHBondContact O-N 3.45Å; L1129-T1131 VanDerWaalsContact O-N 3.08Å | ||
| 1130 | P | 40.6 | Very low | 47.8 | Very low | 99 Ų | 99 | 127.3 Ų | 127.3 | 64% | 0.643 | 63% | 0.633 | S | S | * | * | trans | -69.4 | 106.5 | 178.7 | 29 | -34.3 | 0 | 0 | 0 | 110.5 | S1128 W1132 | S1128-P1130 VanDerWaalsContact C-CD 3.44Å; S1128-P1130 WeakPolarHBondContact O-CD 3.32Å; P1130-W1132 PolarHBondContact O-N 3.48Å | ||
| 1131 | T | 32.8 | Very low | 46.2 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 85% | 0.853 | 66% | 0.664 | S | S | * | * | trans | -86.7 | 87.1 | 166.4 | 30.4 | 0 | 0 | 0 | 0 | 108.4 | L1129 E1133 | L1129-T1131 PolarHBondContact O-N 3.45Å; L1129-T1131 VanDerWaalsContact O-N 3.08Å; T1131-E1133 VanDerWaalsContact C-N 3.28Å; T1131-E1133 PolarHBondContact O-N 3.12Å | ||
| 1132 | W | 35.1 | Very low | 44.6 | Very low | 226 Ų | 226 | 138.4 Ų | 138.4 | 86% | 0.856 | 68% | 0.683 | S | S | * | * | trans | -79.2 | 62.2 | -169.9 | 39.3 | -90.2 | 0 | 0 | 0 | 114.4 | P1130 T1134 | P1130-W1132 PolarHBondContact O-N 3.48Å; W1132-T1134 PolarHBondContact O-N 2.69Å | ||
| 1133 | E | 36.8 | Very low | 44 | Very low | 184 Ų | 184 | 135.5 Ų | 135.5 | 86% | 0.86 | 67% | 0.673 | S | S | * | * | trans | -89.9 | 81.7 | 156 | -73.5 | -162.1 | 154.6 | 0 | 0 | 110.4 | T1131 | T1131-E1133 VanDerWaalsContact C-N 3.28Å; T1131-E1133 PolarHBondContact O-N 3.12Å | ||
| 1134 | T | 33.6 | Very low | 44.2 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 81% | 0.81 | 67% | 0.673 | S | S | * | * | trans | 32.2 | 97.9 | 157.2 | 56.1 | 0 | 0 | 0 | 0 | 118.4 | W1132 | W1132-T1134 PolarHBondContact O-N 2.69Š| ||
| 1135 | R | 37.6 | Very low | 44.6 | Very low | 253 Ų | 253 | 135 Ų | 135 | 96% | 0.955 | 67% | 0.669 | S | S | * | * | trans | -151.9 | 107.4 | 145.6 | -126.8 | 175 | -177.2 | -177.3 | -0.4 | 111.9 | ||||
| 1136 | E | 33.5 | Very low | 45.2 | Very low | 188 Ų | 188 | 135.3 Ų | 135.3 | 88% | 0.879 | 66% | 0.663 | S | S | * | * | trans | -82 | -174.3 | 174.3 | -63 | 172.9 | 126.4 | 0 | 0 | 110.9 | ||||
| 1137 | E | 41.2 | Very low | 45.6 | Very low | 186 Ų | 186 | 132.9 Ų | 132.9 | 87% | 0.869 | 65% | 0.65 | S | S | * | * | S | Bend | trans | 74.9 | 64.4 | 178.7 | -52.3 | -169.9 | 145.9 | 0 | 0 | 117.3 | ||
| 1138 | L | 39.8 | Very low | 45.2 | Very low | 164 Ų | 164 | 129.4 Ų | 129.4 | 86% | 0.859 | 64% | 0.64 | S | S | * | * | trans | -178.3 | 22.8 | 142.3 | -103.1 | 163.4 | 0 | 0 | 0 | 116.2 | ||||
| 1139 | S | 43.5 | Very low | 45.1 | Very low | 59 Ų | 59 | 132.3 Ų | 132.3 | 41% | 0.413 | 65% | 0.646 | S | S | . | * | trans | -78.2 | -41.8 | -161.4 | 75.8 | 0 | 0 | 0 | 0 | 117.4 | D1141 R1142 D1143 | S1139-D1141 VanDerWaalsContact C-N 3.33Å; S1139-D1141 PolarHBondContact O-N 3.11Å; S1139-R1142 WeakPolarHBondContact O-CA 3.38Å; S1139-R1142 WeakPolarHBondContact O-CB 3.43Å; S1139-R1142 PolarHBondContact O-N 2.86Å; S1139-D1143 WeakPolarHBondContact CB-OD1 3.44Å; S1139-D1143 WeakPolarHBondContact CB-OD2 3.4Å; S1139-D1143 PolarHBondContact O-N 2.87Å; S1139-D1143 VanDerWaalsContact O-N 3.09Å; S1139-D1143 PolarHBondContact OG-OD2 3.21Å | ||
| 1140 | F | 44.5 | Very low | 45.3 | Very low | 165 Ų | 165 | 130.7 Ų | 130.7 | 72% | 0.724 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48 | -31.6 | -155.6 | -92.3 | -72.2 | 0 | 0 | 0 | 119.6 | D1143 Y1144 | F1140-D1143 VanDerWaalsContact CA-OD2 3.26Å; F1140-D1143 WeakPolarHBondContact CA-OD2 3.36Å; F1140-D1143 PolarHBondContact N-OD2 2.83Å; F1140-Y1144 WeakPolarHBondContact O-CD2 3.2Å; F1140-Y1144 WeakPolarHBondContact O-CE2 3.32Å |
| 1141 | D | 49.8 | Very low | 45.3 | Very low | 131 Ų | 131 | 130.4 Ų | 130.4 | 70% | 0.701 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -31.9 | 174.3 | -98 | -19.2 | 0 | 0 | 0 | 112.8 | S1139 D1143 Y1144 | S1139-D1141 VanDerWaalsContact C-N 3.33Å; S1139-D1141 PolarHBondContact O-N 3.11Å; D1141-D1143 PolarHBondContact O-N 2.8Å; D1141-Y1144 PolarHBondContact O-N 3.37Å |
| 1142 | R | 47.5 | Very low | 45.8 | Very low | 155 Ų | 155 | 129.9 Ų | 129.9 | 59% | 0.585 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -22.2 | 172.2 | -65.2 | -172.3 | 177.9 | -148.6 | -2.9 | 112 | S1139 Y1144 E1149 | S1139-R1142 WeakPolarHBondContact O-CA 3.38Å; S1139-R1142 WeakPolarHBondContact O-CB 3.43Å; S1139-R1142 PolarHBondContact O-N 2.86Å; R1142-Y1144 PolarHBondContact O-N 3.15Å; R1142-E1149 IonicContact CZ-OE1 2.75Å; R1142-E1149 IonicContact NH1-OE1 3.94Å; R1142-E1149 PolarHBondContact NH1-OE1 2.82Å; R1142-E1149 IonicContact NH2-OE1 3.9Å; R1142-E1149 PolarHBondContact NH2-OE1 3.47Å |
| 1143 | D | 60.5 | Low | 46.2 | Very low | 69 Ų | 69 | 131 Ų | 131 | 37% | 0.369 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.4 | -16.4 | 178.2 | -64 | -27.5 | 0 | 0 | 0 | 113 | S1139 F1140 D1141 S1369 S1371 | S1139-D1143 WeakPolarHBondContact CB-OD1 3.44Å; S1139-D1143 WeakPolarHBondContact CB-OD2 3.4Å; S1139-D1143 PolarHBondContact O-N 2.87Å; S1139-D1143 VanDerWaalsContact O-N 3.09Å; S1139-D1143 PolarHBondContact OG-OD2 3.21Å; F1140-D1143 VanDerWaalsContact CA-OD2 3.26Å; F1140-D1143 WeakPolarHBondContact CA-OD2 3.36Å; F1140-D1143 PolarHBondContact N-OD2 2.83Å; D1141-D1143 PolarHBondContact O-N 2.8Å; D1143-S1369 VanDerWaalsContact O-CB 3.28Å; D1143-S1369 WeakPolarHBondContact O-CB 3.42Å; D1143-S1369 PolarHBondContact O-OG 3.14Å; D1143-S1371 PolarHBondContact O-OG 2.91Å |
| 1144 | Y | 64.2 | Low | 46.2 | Very low | 87 Ų | 87 | 124.6 Ų | 124.6 | 34% | 0.341 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107.3 | -30.4 | 177.3 | -64.5 | -75.9 | 0 | 0 | 0 | 114.8 | F1140 D1141 R1142 M1273 S1369 S1371 | F1140-Y1144 WeakPolarHBondContact O-CD2 3.2Å; F1140-Y1144 WeakPolarHBondContact O-CE2 3.32Å; D1141-Y1144 PolarHBondContact O-N 3.37Å; R1142-Y1144 PolarHBondContact O-N 3.15Å; Y1144-M1273 WeakPolarHBondContact O-CE 3.47Å; Y1144-S1369 VanDerWaalsContact CA-OG 3.23Å; Y1144-S1369 WeakPolarHBondContact CA-OG 3.07Å; Y1144-S1369 PolarHBondContact O-N 3.1Å; Y1144-S1369 PolarHBondContact O-OG 3.19Å; Y1144-S1371 WeakPolarHBondContact CD1-OG 3.48Å |
| 1145 | C | 68.9 | Low | 46.7 | Very low | 13 Ų | 13 | 123.6 Ų | 123.6 | 9% | 0.088 | 63% | 0.627 | C | S | . | * | B | Isolated β-bridge | trans | -146.2 | 135.3 | -178.7 | -164.1 | 0 | 0 | 0 | 0 | 113.1 | C1365 | C1145-C1365 HydrophobicContact CB-CB 4.08Å; C1145-C1365 WeakPolarHBondContact CB-SG 3.47Å; C1145-C1365 WeakPolarHBondContact SG-CA 3.36Å; C1145-C1365 WeakPolarHBondContact SG-CB 3.39Å; C1145-C1365 CovalentContact SG-SG 2.03Å; C1145-C1365 PolarHBondContact SG-SG 3.13Å |
| 1146 | H | 62.5 | Low | 47.1 | Very low | 70 Ų | 70 | 115.6 Ų | 115.6 | 32% | 0.324 | 61% | 0.61 | S | S | . | * | trans | -84.8 | 135.8 | 174.1 | -57.4 | -70.7 | 0 | 0 | 0 | 111.1 | Y1124 S1367 | Y1124-H1146 AromaticContact CE2-CD2 3.54Å; Y1124-H1146 AromaticContact CE2-NE2 3.83Å; Y1124-H1146 AromaticContact CZ-NE2 3.87Å; Y1124-H1146 PolarHBondContact OH-NE2 2.9Å; H1146-S1367 WeakPolarHBondContact CB-O 3.03Å; H1146-S1367 PolarHBondContact N-O 2.97Å; H1146-S1367 PolarHBondContact O-OG 2.94Å; H1146-S1367 VanDerWaalsContact O-OG 3.11Å | ||
| 1147 | H | 56 | Low | 47.7 | Very low | 117 Ų | 117 | 112.6 Ų | 112.6 | 54% | 0.542 | 59% | 0.594 | S | S | . | * | trans | -128.4 | 122.4 | 173.7 | -68.1 | -19.1 | 0 | 0 | 0 | 109.1 | E1149 | H1147-E1149 PolarHBondContact O-N 2.82Š| ||
| 1148 | A | 42.5 | Very low | 48.2 | Very low | 57 Ų | 57 | 108.4 Ų | 108.4 | 47% | 0.471 | 58% | 0.577 | S | S | . | * | trans | -67.7 | 116.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | S1150 L1158 | A1148-S1150 PolarHBondContact O-N 2.66Å; A1148-L1158 HydrophobicContact CB-CD1 4.23Å | ||
| 1149 | E | 43.6 | Very low | 49.3 | Very low | 134 Ų | 134 | 105.7 Ų | 105.7 | 63% | 0.626 | 56% | 0.558 | S | S | * | * | trans | -61 | 126.4 | -175.3 | -67.2 | -168 | 170.1 | 0 | 0 | 111.9 | R1142 H1147 S1151 | R1142-E1149 IonicContact CZ-OE1 2.75Å; R1142-E1149 IonicContact NH1-OE1 3.94Å; R1142-E1149 PolarHBondContact NH1-OE1 2.82Å; R1142-E1149 IonicContact NH2-OE1 3.9Å; R1142-E1149 PolarHBondContact NH2-OE1 3.47Å; H1147-E1149 PolarHBondContact O-N 2.82Å; E1149-S1151 PolarHBondContact O-N 3.43Å | ||
| 1150 | S | 38 | Very low | 50.6 | Low | 117 Ų | 117 | 104.2 Ų | 104.2 | 82% | 0.818 | 55% | 0.547 | S | S | * | . | trans | -76.9 | 61.6 | -165.6 | 64 | 0 | 0 | 0 | 0 | 113.6 | A1148 S1152 | A1148-S1150 PolarHBondContact O-N 2.66Å; S1150-S1152 PolarHBondContact O-N 2.89Å | ||
| 1151 | S | 38.7 | Very low | 52.3 | Low | 93 Ų | 93 | 96.4 Ų | 96.4 | 65% | 0.65 | 51% | 0.512 | S | S | * | . | trans | -61.3 | 115.7 | 169.1 | 53.4 | 0 | 0 | 0 | 0 | 109.7 | E1149 R1153 | E1149-S1151 PolarHBondContact O-N 3.43Å; S1151-R1153 PolarHBondContact O-N 2.92Å | ||
| 1152 | S | 45.1 | Very low | 54 | Low | 127 Ų | 127 | 93 Ų | 93 | 89% | 0.888 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | 35.8 | -146.4 | 53.2 | 0 | 0 | 0 | 0 | 116.5 | S1150 | S1150-S1152 PolarHBondContact O-N 2.89Š|
| 1153 | R | 41.8 | Very low | 55.9 | Low | 250 Ų | 250 | 87.1 Ų | 87.1 | 94% | 0.943 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.8 | 11.5 | 174.2 | -121.3 | 173.5 | -172.5 | 161.1 | 3.7 | 116.4 | S1151 | S1151-R1153 PolarHBondContact O-N 2.92Š|
| 1154 | S | 36.7 | Very low | 57.2 | Low | 49 Ų | 49 | 84 Ų | 84 | 34% | 0.343 | 46% | 0.455 | S | S | . | . | trans | -145 | 67.4 | 174.4 | -157.4 | 0 | 0 | 0 | 0 | 111.9 | S1156 K1157 | S1154-S1156 PolarHBondContact O-N 2.75Å; S1154-S1156 VanDerWaalsContact O-N 3.14Å; S1154-S1156 PolarHBondContact OG-OG 2.78Å; S1154-K1157 WeakPolarHBondContact O-CB 3.32Å; S1154-K1157 PolarHBondContact O-N 2.79Å | ||
| 1155 | S | 45.6 | Very low | 58.3 | Low | 112 Ų | 112 | 81.3 Ų | 81.3 | 78% | 0.783 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -56.9 | -24.3 | 170.6 | 48.4 | 0 | 0 | 0 | 0 | 112.8 | K1157 L1158 | S1155-K1157 PolarHBondContact O-N 2.83Å; S1155-K1157 VanDerWaalsContact O-N 3.07Å; S1155-L1158 PolarHBondContact O-N 2.81Å |
| 1156 | S | 44.8 | Very low | 59.2 | Low | 84 Ų | 84 | 82.8 Ų | 82.8 | 59% | 0.587 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -58 | -8.6 | 167.5 | 52.2 | 0 | 0 | 0 | 0 | 115.4 | S1154 T1160 | S1154-S1156 PolarHBondContact O-N 2.75Å; S1154-S1156 VanDerWaalsContact O-N 3.14Å; S1154-S1156 PolarHBondContact OG-OG 2.78Å; S1156-T1160 WeakPolarHBondContact O-CG2 3.46Å |
| 1157 | K | 47 | Very low | 60.3 | Low | 126 Ų | 126 | 81.7 Ų | 81.7 | 55% | 0.548 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -84.1 | -18.8 | 173.3 | -83.3 | -161.2 | 169.2 | -153.9 | 0 | 115.3 | S1154 S1155 T1160 | S1154-K1157 WeakPolarHBondContact O-CB 3.32Å; S1154-K1157 PolarHBondContact O-N 2.79Å; S1155-K1157 PolarHBondContact O-N 2.83Å; S1155-K1157 VanDerWaalsContact O-N 3.07Å; K1157-T1160 PolarHBondContact O-OG1 3.39Å |
| 1158 | L | 51.8 | Low | 61.9 | Low | 97 Ų | 97 | 78.9 Ų | 78.9 | 51% | 0.508 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -28.4 | -179.4 | -167.4 | 68.1 | 0 | 0 | 0 | 112.3 | A1148 S1155 | A1148-L1158 HydrophobicContact CB-CD1 4.23Å; S1155-L1158 PolarHBondContact O-N 2.81Å |
| 1159 | F | 62.1 | Low | 64.1 | Low | 108 Ų | 108 | 77.5 Ų | 77.5 | 47% | 0.474 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 30.9 | -179.6 | -59.5 | -70 | 0 | 0 | 0 | 111.9 | G1161 Y1162 | F1159-G1161 PolarHBondContact O-N 2.78Å; F1159-Y1162 AromaticContact CD1-CD2 3.93Å; F1159-Y1162 HydrophobicContact CD1-CD2 3.93Å; F1159-Y1162 WeakPolarHBondContact O-CB 3.2Å; F1159-Y1162 PolarHBondContact O-N 3.07Å; F1159-Y1162 VanDerWaalsContact O-N 3.09Å |
| 1160 | T | 70.5 | Confident | 66.4 | Low | 28 Ų | 28 | 71.1 Ų | 71.1 | 17% | 0.172 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 115.6 | 174.5 | 41.2 | 0 | 0 | 0 | 0 | 109.1 | A1120 D1123 S1156 K1157 | A1120-T1160 WeakPolarHBondContact CA-O 3.23Å; A1120-T1160 VanDerWaalsContact CB-O 3.25Å; A1120-T1160 WeakPolarHBondContact CB-O 3.35Å; D1123-T1160 WeakPolarHBondContact OD2-CB 3.22Å; D1123-T1160 WeakPolarHBondContact OD2-CG2 3.17Å; S1156-T1160 WeakPolarHBondContact O-CG2 3.46Å; K1157-T1160 PolarHBondContact O-OG1 3.39Å |
| 1161 | G | 81.5 | Confident | 68.9 | Low | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88 | 4.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | G1071 H1072 G1116 F1159 | G1071-G1161 CarbonylContact C-O 3.38Å; G1071-G1161 VanDerWaalsContact C-O 3.24Å; G1071-G1161 WeakPolarHBondContact CA-O 3.28Å; G1071-G1161 PolarHBondContact N-O 3.45Å; H1072-G1161 PolarHBondContact N-O 3.3Å; H1072-G1161 VanDerWaalsContact N-O 3.16Å; G1116-G1161 CarbonylContact C-O 3.49Å; G1116-G1161 WeakPolarHBondContact CA-O 3.37Å; G1116-G1161 WeakPolarHBondContact O-CA 3.26Å; F1159-G1161 PolarHBondContact O-N 2.78Å |
| 1162 | Y | 84.2 | Confident | 71.2 | Confident | 59 Ų | 59 | 65.9 Ų | 65.9 | 23% | 0.231 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -59.1 | -48.2 | 175.2 | 177 | -73.5 | 0 | 0 | 0 | 111.8 | H1070 H1072 F1159 D1169 | H1070-Y1162 AromaticContact CD2-CE1 3.91Å; H1070-Y1162 AromaticContact CD2-CZ 3.7Å; H1070-Y1162 AromaticContact CE1-CE2 3.9Å; H1070-Y1162 AromaticContact CE1-CZ 3.7Å; H1070-Y1162 PolarHBondContact CE1-OH 3.34Å; H1070-Y1162 AromaticContact NE2-CE1 3.85Å; H1070-Y1162 AromaticContact NE2-CE2 3.91Å; H1070-Y1162 AromaticContact NE2-CZ 3.35Å; H1070-Y1162 VanDerWaalsContact NE2-CZ 3.35Å; H1070-Y1162 PolarHBondContact NE2-OH 2.93Å; H1070-Y1162 VanDerWaalsContact NE2-OH 3.1Å; H1072-Y1162 AromaticContact CE1-CD2 3.33Å; H1072-Y1162 WeakPolarHBondContact CE1-CD2 3.25Å; H1072-Y1162 AromaticContact CE1-CE2 3.86Å; H1072-Y1162 AromaticContact ND1-CD2 3.43Å; H1072-Y1162 WeakPolarHBondContact ND1-CD2 3.41Å; H1072-Y1162 AromaticContact ND1-CG 3.92Å; F1159-Y1162 AromaticContact CD1-CD2 3.93Å; F1159-Y1162 HydrophobicContact CD1-CD2 3.93Å; F1159-Y1162 WeakPolarHBondContact O-CB 3.2Å; F1159-Y1162 PolarHBondContact O-N 3.07Å; F1159-Y1162 VanDerWaalsContact O-N 3.09Å; Y1162-D1169 HydrophobicContact CE1-CB 4.14Å; Y1162-D1169 WeakPolarHBondContact CE1-OD2 3.21Å; Y1162-D1169 PolarHBondContact OH-OD2 2.93Å |
| 1163 | T | 87.9 | Confident | 73.3 | Confident | 33 Ų | 33 | 61.4 Ų | 61.4 | 20% | 0.202 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -94.5 | 162 | 178.7 | 48.8 | 0 | 0 | 0 | 0 | 113 | G1167 I1168 D1169 | T1163-G1167 VanDerWaalsContact CB-C 3.48Å; T1163-I1168 WeakPolarHBondContact CA-O 3.38Å; T1163-I1168 VanDerWaalsContact CB-O 3.23Å; T1163-I1168 WeakPolarHBondContact CB-O 3.35Å; T1163-I1168 VanDerWaalsContact CG2-C 3.49Å; T1163-D1169 HydrophobicContact CG2-CB 4.44Å |
| 1164 | N | 88.8 | Confident | 75.3 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.011 | 29% | 0.29 | C | S | . | . | trans | -67.2 | -177.1 | 176.3 | 87.9 | -28.9 | 0 | 0 | 0 | 113.3 | N1113 A1166 G1167 I1168 L1170 Q1204 E1206 | N1113-N1164 WeakPolarHBondContact OD1-CA 3.4Å; N1164-A1166 PolarHBondContact O-N 3.26Å; N1164-A1166 WeakPolarHBondContact OD1-CB 3.43Å; N1164-A1166 PolarHBondContact OD1-N 2.88Å; N1164-A1166 VanDerWaalsContact OD1-N 3.07Å; N1164-G1167 PolarHBondContact O-N 2.72Å; N1164-G1167 PolarHBondContact OD1-N 3.3Å; N1164-I1168 PolarHBondContact N-O 3.25Å; N1164-I1168 PolarHBondContact OD1-N 3.31Å; N1164-I1168 PolarHBondContact OD1-O 3.25Å; N1164-L1170 HydrophobicContact CB-CD1 4.33Å; N1164-L1170 HydrophobicContact CB-CD2 4.07Å; N1164-L1170 HydrophobicContact CB-CG 4.23Å; N1164-Q1204 PolarHBondContact ND2-OE1 3.12Å; N1164-E1206 PolarHBondContact ND2-OE1 3.33Å; N1164-E1206 PolarHBondContact ND2-OE2 2.9Å | ||
| 1165 | G | 87.3 | Confident | 77.6 | Confident | 31 Ų | 31 | 47.4 Ų | 47.4 | 32% | 0.32 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -28.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | D1115 | D1115-G1165 WeakPolarHBondContact OD2-CA 3.37Š|
| 1166 | A | 87.4 | Confident | 79.2 | Confident | 45 Ų | 45 | 46.7 Ų | 46.7 | 37% | 0.372 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -7.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | H1002 N1164 I1168 | H1002-A1166 HydrophobicContact CB-CB 4.48Å; N1164-A1166 PolarHBondContact O-N 3.26Å; N1164-A1166 WeakPolarHBondContact OD1-CB 3.43Å; N1164-A1166 PolarHBondContact OD1-N 2.88Å; N1164-A1166 VanDerWaalsContact OD1-N 3.07Å; A1166-I1168 HydrophobicContact CB-CD1 4.38Å |
| 1167 | G | 85.4 | Confident | 80.7 | Confident | 46 Ų | 46 | 43.3 Ų | 43.3 | 47% | 0.474 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 84.7 | 21.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | T1163 N1164 | T1163-G1167 VanDerWaalsContact CB-C 3.48Å; N1164-G1167 PolarHBondContact O-N 2.72Å; N1164-G1167 PolarHBondContact OD1-N 3.3Å |
| 1168 | I | 89 | Confident | 81.9 | Confident | 59 Ų | 59 | 37.4 Ų | 37.4 | 30% | 0.303 | 22% | 0.22 | S | C | . | . | trans | -100.9 | 143 | 178.7 | -73.8 | 161.6 | 0 | 0 | 0 | 111.3 | T1163 N1164 A1166 Q1173 Q1204 | T1163-I1168 WeakPolarHBondContact CA-O 3.38Å; T1163-I1168 VanDerWaalsContact CB-O 3.23Å; T1163-I1168 WeakPolarHBondContact CB-O 3.35Å; T1163-I1168 VanDerWaalsContact CG2-C 3.49Å; N1164-I1168 PolarHBondContact N-O 3.25Å; N1164-I1168 PolarHBondContact OD1-N 3.31Å; N1164-I1168 PolarHBondContact OD1-O 3.25Å; A1166-I1168 HydrophobicContact CB-CD1 4.38Å; I1168-Q1173 HydrophobicContact CG2-CB 4.45Å; I1168-Q1204 HydrophobicContact CB-CG 3.97Å; I1168-Q1204 VanDerWaalsContact CD1-CD 3.46Å; I1168-Q1204 HydrophobicContact CD1-CG 3.73Å; I1168-Q1204 HydrophobicContact CG1-CG 4.46Å; I1168-Q1204 HydrophobicContact CG2-CG 3.82Å | ||
| 1169 | D | 88.6 | Confident | 82.5 | Confident | 27 Ų | 27 | 34.2 Ų | 34.2 | 14% | 0.144 | 21% | 0.21 | C | C | . | . | trans | -78.1 | 123.3 | 169.4 | -177 | -35.5 | 0 | 0 | 0 | 109.3 | H1070 Y1162 T1163 W1171 E1172 Q1173 | H1070-D1169 IonicContact CD2-OD1 2.72Å; H1070-D1169 IonicContact NE2-OD1 2.71Å; H1070-D1169 PolarHBondContact NE2-OD1 3.17Å; H1070-D1169 IonicContact NE2-OD2 3.21Å; H1070-D1169 PolarHBondContact NE2-OD2 3.33Å; Y1162-D1169 HydrophobicContact CE1-CB 4.14Å; Y1162-D1169 WeakPolarHBondContact CE1-OD2 3.21Å; Y1162-D1169 PolarHBondContact OH-OD2 2.93Å; T1163-D1169 HydrophobicContact CG2-CB 4.44Å; D1169-W1171 PolarHBondContact OD1-N 3.04Å; D1169-E1172 HydrophobicContact CB-CB 4.08Å; D1169-E1172 PolarHBondContact OD1-N 3.14Å; D1169-Q1173 VanDerWaalsContact O-CB 3.31Å; D1169-Q1173 WeakPolarHBondContact O-CB 3.44Å; D1169-Q1173 PolarHBondContact O-N 3.31Å | ||
| 1170 | L | 91.7 | Very high | 82.7 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -79.5 | -35.2 | -176.6 | -62 | -179.3 | 0 | 0 | 0 | 112.6 | L1069 N1113 N1164 Q1173 L1174 Q1204 E1206 N1207 | L1069-L1170 HydrophobicContact CD2-CB 3.88Å; L1069-L1170 HydrophobicContact CG-CB 4.28Å; N1113-L1170 HydrophobicContact CB-CD1 3.88Å; N1164-L1170 HydrophobicContact CB-CD1 4.33Å; N1164-L1170 HydrophobicContact CB-CD2 4.07Å; N1164-L1170 HydrophobicContact CB-CG 4.23Å; L1170-Q1173 PolarHBondContact O-N 2.81Å; L1170-L1174 WeakPolarHBondContact O-CG 3.44Å; L1170-L1174 PolarHBondContact O-N 3.39Å; L1170-L1174 VanDerWaalsContact O-N 3.08Å; L1170-Q1204 HydrophobicContact CD2-CB 4.06Å; L1170-E1206 HydrophobicContact CD1-CB 3.74Å; L1170-E1206 HydrophobicContact CD1-CG 4.06Å; L1170-E1206 HydrophobicContact CD2-CB 4.13Å; L1170-N1207 WeakPolarHBondContact CA-ND2 3.47Å; L1170-N1207 PolarHBondContact O-ND2 3.46Å |
| 1171 | W | 90.1 | Very high | 82.3 | Confident | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.015 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.2 | -49.4 | 177.5 | -84.6 | 125.8 | 0 | 0 | 0 | 110.8 | L1069 H1070 D1169 Q1173 L1174 I1175 P1226 F1312 A1316 L1320 | L1069-W1171 HydrophobicContact CB-CD2 4.01Å; L1069-W1171 HydrophobicContact CB-CG 4.02Å; L1069-W1171 HydrophobicContact CB-CZ2 4.27Å; L1069-W1171 HydrophobicContact CD1-CZ2 4.47Å; L1069-W1171 HydrophobicContact CD2-CD2 3.79Å; L1069-W1171 HydrophobicContact CD2-CE3 3.97Å; L1069-W1171 HydrophobicContact CD2-CG 4.08Å; L1069-W1171 HydrophobicContact CG-CD2 4.44Å; H1070-W1171 AromaticContact CD2-CD1 3.66Å; H1070-W1171 AromaticContact CE1-CD1 3.58Å; H1070-W1171 AromaticContact CG-CD1 3.78Å; H1070-W1171 AromaticContact ND1-CD1 3.73Å; H1070-W1171 AromaticContact NE2-CD1 3.51Å; D1169-W1171 PolarHBondContact OD1-N 3.04Å; W1171-Q1173 PolarHBondContact O-N 3.38Å; W1171-L1174 HydrophobicContact CE3-CD1 4.49Å; W1171-L1174 PolarHBondContact O-N 2.77Å; W1171-L1174 VanDerWaalsContact O-N 3.08Å; W1171-I1175 VanDerWaalsContact O-CG1 3.31Å; W1171-I1175 WeakPolarHBondContact O-CG1 3Å; W1171-I1175 PolarHBondContact O-N 2.86Å; W1171-P1226 HydrophobicContact CZ2-CB 4.13Å; W1171-F1312 HydrophobicContact CB-CE2 4.31Å; W1171-F1312 HydrophobicContact CB-CZ 3.79Å; W1171-F1312 AromaticContact CG-CZ 3.95Å; W1171-F1312 HydrophobicContact CG-CZ 3.95Å; W1171-A1316 HydrophobicContact CD2-CB 3.99Å; W1171-A1316 HydrophobicContact CE3-CB 3.68Å; W1171-A1316 HydrophobicContact CH2-CB 4.37Å; W1171-A1316 HydrophobicContact CZ3-CB 3.89Å; W1171-A1316 WeakPolarHBondContact CZ3-O 3.32Å; W1171-L1320 HydrophobicContact CH2-CD1 3.44Å; W1171-L1320 VanDerWaalsContact CH2-CD1 3.44Å; W1171-L1320 HydrophobicContact CH2-CG 4.36Å; W1171-L1320 HydrophobicContact CZ3-CD1 3.45Å; W1171-L1320 VanDerWaalsContact CZ3-CD1 3.45Å; W1171-L1320 HydrophobicContact CZ3-CG 3.86Å |
| 1172 | E | 88 | Confident | 81.2 | Confident | 96 Ų | 96 | 34.5 Ų | 34.5 | 45% | 0.449 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.6 | -33.8 | 176.6 | -78.7 | -68.9 | 162 | 0 | 0 | 111.6 | D1169 S1176 | D1169-E1172 HydrophobicContact CB-CB 4.08Å; D1169-E1172 PolarHBondContact OD1-N 3.14Å; E1172-S1176 WeakPolarHBondContact O-CB 3.38Å; E1172-S1176 PolarHBondContact O-N 3.43Å |
| 1173 | Q | 88.5 | Confident | 79.9 | Confident | 33 Ų | 33 | 36.1 Ų | 36.1 | 15% | 0.154 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.8 | -39.6 | 172.6 | 176.8 | 170.2 | 92 | 0 | 0 | 112.7 | I1168 D1169 L1170 W1171 L1177 L1203 N1207 | I1168-Q1173 HydrophobicContact CG2-CB 4.45Å; D1169-Q1173 VanDerWaalsContact O-CB 3.31Å; D1169-Q1173 WeakPolarHBondContact O-CB 3.44Å; D1169-Q1173 PolarHBondContact O-N 3.31Å; L1170-Q1173 PolarHBondContact O-N 2.81Å; W1171-Q1173 PolarHBondContact O-N 3.38Å; Q1173-L1177 VanDerWaalsContact O-CB 3.24Å; Q1173-L1177 WeakPolarHBondContact O-CB 3.44Å; Q1173-L1177 PolarHBondContact O-N 3.16Å; Q1173-L1203 HydrophobicContact CG-CD2 3.71Å; Q1173-N1207 PolarHBondContact OE1-ND2 2.82Å |
| 1174 | L | 85.4 | Confident | 78.2 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.4 | -41.1 | 175.4 | -71.7 | 172.8 | 0 | 0 | 0 | 112.4 | L1069 L1170 W1171 L1177 T1178 N1207 L1210 V1211 L1320 | L1069-L1174 HydrophobicContact CD2-CD1 3.56Å; L1170-L1174 WeakPolarHBondContact O-CG 3.44Å; L1170-L1174 PolarHBondContact O-N 3.39Å; L1170-L1174 VanDerWaalsContact O-N 3.08Å; W1171-L1174 HydrophobicContact CE3-CD1 4.49Å; W1171-L1174 PolarHBondContact O-N 2.77Å; W1171-L1174 VanDerWaalsContact O-N 3.08Å; L1174-L1177 PolarHBondContact O-N 2.87Å; L1174-T1178 WeakPolarHBondContact O-CB 3.07Å; L1174-T1178 WeakPolarHBondContact O-CG2 3.17Å; L1174-T1178 PolarHBondContact O-N 2.93Å; L1174-T1178 PolarHBondContact O-OG1 2.9Å; L1174-N1207 HydrophobicContact CD2-CB 4.42Å; L1174-L1210 HydrophobicContact CD1-CD2 3.98Å; L1174-V1211 HydrophobicContact CD2-CG2 3.73Å; L1174-L1320 HydrophobicContact CD1-CD2 3.77Å |
| 1175 | I | 83.5 | Confident | 76.4 | Confident | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 176 | -65 | 164.3 | 0 | 0 | 0 | 110.2 | W1171 T1178 G1179 S1180 N1181 F1312 A1316 | W1171-I1175 VanDerWaalsContact O-CG1 3.31Å; W1171-I1175 WeakPolarHBondContact O-CG1 3Å; W1171-I1175 PolarHBondContact O-N 2.86Å; I1175-T1178 PolarHBondContact O-OG1 3.29Å; I1175-G1179 PolarHBondContact O-N 2.92Å; I1175-S1180 WeakPolarHBondContact CA-OG 3.21Å; I1175-S1180 PolarHBondContact O-N 2.84Å; I1175-N1181 HydrophobicContact CG2-CB 4.14Å; I1175-F1312 HydrophobicContact CD1-CD2 4.28Å; I1175-F1312 HydrophobicContact CD1-CE2 3.91Å; I1175-A1316 HydrophobicContact CD1-CB 4.06Å |
| 1176 | S | 80.4 | Confident | 74.3 | Confident | 97 Ų | 97 | 50.1 Ų | 50.1 | 68% | 0.678 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -66.7 | -38.2 | 177.8 | -175.3 | 0 | 0 | 0 | 0 | 113 | E1172 | E1172-S1176 WeakPolarHBondContact O-CB 3.38Å; E1172-S1176 PolarHBondContact O-N 3.43Å |
| 1177 | L | 75.6 | Confident | 72.5 | Confident | 13 Ų | 13 | 55 Ų | 55 | 7% | 0.068 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.5 | -57.9 | 173.1 | 172.8 | 68.2 | 0 | 0 | 0 | 110.5 | Q1173 L1174 G1179 W1189 V1199 L1203 V1211 | Q1173-L1177 VanDerWaalsContact O-CB 3.24Å; Q1173-L1177 WeakPolarHBondContact O-CB 3.44Å; Q1173-L1177 PolarHBondContact O-N 3.16Å; L1174-L1177 PolarHBondContact O-N 2.87Å; L1177-G1179 VanDerWaalsContact C-N 3.34Å; L1177-G1179 PolarHBondContact O-N 3.43Å; L1177-W1189 HydrophobicContact CD1-CB 4.24Å; L1177-W1189 HydrophobicContact CD1-CD2 4.49Å; L1177-W1189 HydrophobicContact CD1-CG 4.43Å; L1177-W1189 HydrophobicContact CG-CB 4.47Å; L1177-W1189 HydrophobicContact CG-CG 4.37Å; L1177-W1189 VanDerWaalsContact O-CB 3.29Å; L1177-W1189 WeakPolarHBondContact O-CB 3.24Å; L1177-V1199 HydrophobicContact CD1-CG2 3.66Å; L1177-L1203 HydrophobicContact CD2-CD1 4.16Å; L1177-L1203 HydrophobicContact CD2-CD2 4.25Å; L1177-V1211 HydrophobicContact CD2-CG2 4.33Å |
| 1178 | T | 72.9 | Confident | 71.1 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -72.4 | -26.3 | -169.8 | 52.5 | 0 | 0 | 0 | 0 | 113.6 | L1174 I1175 S1180 S1319 L1322 A1323 | L1174-T1178 WeakPolarHBondContact O-CB 3.07Å; L1174-T1178 WeakPolarHBondContact O-CG2 3.17Å; L1174-T1178 PolarHBondContact O-N 2.93Å; L1174-T1178 PolarHBondContact O-OG1 2.9Å; I1175-T1178 PolarHBondContact O-OG1 3.29Å; T1178-S1180 VanDerWaalsContact C-N 3.31Å; T1178-S1180 PolarHBondContact OG1-OG 3.47Å; T1178-S1319 WeakPolarHBondContact CG2-O 3.04Å; T1178-L1322 HydrophobicContact CG2-CB 3.95Å; T1178-A1323 HydrophobicContact CG2-CB 4.4Å |
| 1179 | G | 64.1 | Low | 69.5 | Low | 30 Ų | 30 | 52 Ų | 52 | 31% | 0.309 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 14.9 | -172 | 0 | 0 | 0 | 0 | 0 | 113.4 | I1175 L1177 N1181 | I1175-G1179 PolarHBondContact O-N 2.92Å; L1177-G1179 VanDerWaalsContact C-N 3.34Å; L1177-G1179 PolarHBondContact O-N 3.43Å; G1179-N1181 PolarHBondContact O-N 3.33Å |
| 1180 | S | 65.3 | Low | 68.1 | Low | 5 Ų | 5 | 50.9 Ų | 50.9 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | trans | -65.5 | 0.1 | 177.8 | 47.9 | 0 | 0 | 0 | 0 | 114.7 | I1175 T1178 L1182 S1315 S1319 | I1175-S1180 WeakPolarHBondContact CA-OG 3.21Å; I1175-S1180 PolarHBondContact O-N 2.84Å; T1178-S1180 VanDerWaalsContact C-N 3.31Å; T1178-S1180 PolarHBondContact OG1-OG 3.47Å; S1180-L1182 PolarHBondContact O-N 2.93Å; S1180-L1182 VanDerWaalsContact O-N 3.15Å; S1180-S1315 PolarHBondContact OG-O 3.45Å; S1180-S1319 VanDerWaalsContact OG-CB 3.29Å; S1180-S1319 WeakPolarHBondContact OG-CB 3.35Å | ||
| 1181 | N | 62.3 | Low | 66.3 | Low | 73 Ų | 73 | 55 Ų | 55 | 39% | 0.39 | 29% | 0.289 | S | S | . | . | trans | -65.5 | 112.8 | 170 | -175.4 | -18.3 | 0 | 0 | 0 | 110.3 | I1175 G1179 T1183 F1184 | I1175-N1181 HydrophobicContact CG2-CB 4.14Å; G1179-N1181 PolarHBondContact O-N 3.33Å; N1181-T1183 PolarHBondContact O-N 2.73Å; N1181-T1183 PolarHBondContact OD1-N 2.82Å; N1181-T1183 PolarHBondContact OD1-OG1 3.47Å; N1181-F1184 PolarHBondContact O-N 3.17Å | ||
| 1182 | L | 59.1 | Low | 64.6 | Low | 63 Ų | 63 | 57 Ų | 57 | 33% | 0.33 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -7.5 | -174.3 | -56.1 | 174.8 | 0 | 0 | 0 | 115.5 | S1180 E1236 | S1180-L1182 PolarHBondContact O-N 2.93Å; S1180-L1182 VanDerWaalsContact O-N 3.15Å; L1182-E1236 HydrophobicContact CD2-CG 4.25Å |
| 1183 | T | 57.3 | Low | 63.3 | Low | 94 Ų | 94 | 60.1 Ų | 60.1 | 58% | 0.577 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -8.7 | 175.6 | 65.6 | 0 | 0 | 0 | 0 | 115.3 | N1181 | N1181-T1183 PolarHBondContact O-N 2.73Å; N1181-T1183 PolarHBondContact OD1-N 2.82Å; N1181-T1183 PolarHBondContact OD1-OG1 3.47Å |
| 1184 | F | 50.6 | Low | 62 | Low | 153 Ų | 153 | 62.5 Ų | 62.5 | 67% | 0.671 | 34% | 0.336 | S | S | * | . | trans | -140.2 | 56.4 | -171.8 | -62.9 | -65.7 | 0 | 0 | 0 | 113.8 | N1181 H1186 | N1181-F1184 PolarHBondContact O-N 3.17Å; F1184-H1186 VanDerWaalsContact C-N 3.25Å; F1184-H1186 PolarHBondContact O-N 2.89Å | ||
| 1185 | S | 51.3 | Low | 60.8 | Low | 58 Ų | 58 | 65.8 Ų | 65.8 | 41% | 0.406 | 35% | 0.35 | S | S | . | . | trans | -75.2 | 48.6 | -171.5 | 65.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1186 | H | 43.9 | Very low | 59.8 | Low | 149 Ų | 149 | 67.3 Ų | 67.3 | 69% | 0.69 | 36% | 0.358 | S | S | * | . | trans | -136.3 | 129.2 | -176.5 | -60 | -45.2 | 0 | 0 | 0 | 114.1 | F1184 | F1184-H1186 VanDerWaalsContact C-N 3.25Å; F1184-H1186 PolarHBondContact O-N 2.89Å | ||
| 1187 | H | 49.7 | Very low | 59.2 | Low | 146 Ų | 146 | 67.3 Ų | 67.3 | 68% | 0.676 | 35% | 0.348 | S | S | * | . | trans | 74.1 | 98.5 | 178.8 | -50.6 | -44.1 | 0 | 0 | 0 | 115.9 | E1191 K1195 | H1187-E1191 VanDerWaalsContact CA-OE2 3.3Å; H1187-E1191 WeakPolarHBondContact CA-OE2 3.39Å; H1187-K1195 PolarHBondContact O-NZ 3.35Å | ||
| 1188 | W | 56.2 | Low | 58.5 | Low | 43 Ų | 43 | 72 Ų | 72 | 16% | 0.163 | 37% | 0.368 | C | S | . | . | trans | -58.3 | 157.8 | 176.8 | -61.9 | 105.9 | 0 | 0 | 0 | 111.7 | W1190 E1191 L1322 L1349 | W1188-W1190 VanDerWaalsContact C-N 3.31Å; W1188-W1190 HydrophobicContact CB-CD2 4.01Å; W1188-W1190 HydrophobicContact CB-CE3 4.34Å; W1188-W1190 HydrophobicContact CB-CH2 4.09Å; W1188-W1190 HydrophobicContact CB-CZ2 3.74Å; W1188-W1190 HydrophobicContact CB-CZ3 4.39Å; W1188-W1190 AromaticContact CD2-CH2 3.84Å; W1188-W1190 HydrophobicContact CD2-CH2 3.84Å; W1188-W1190 AromaticContact CD2-CZ2 3.85Å; W1188-W1190 HydrophobicContact CD2-CZ2 3.85Å; W1188-W1190 AromaticContact CE3-CH2 3.69Å; W1188-W1190 HydrophobicContact CE3-CH2 3.69Å; W1188-W1190 HydrophobicContact CE3-CZ2 4.2Å; W1188-W1190 HydrophobicContact CE3-CZ3 4.29Å; W1188-W1190 HydrophobicContact CG-CH2 4.06Å; W1188-W1190 AromaticContact CG-CZ2 3.67Å; W1188-W1190 HydrophobicContact CG-CZ2 3.67Å; W1188-W1190 HydrophobicContact CZ3-CH2 4.39Å; W1188-W1190 PolarHBondContact O-N 3.48Å; W1188-E1191 HydrophobicContact CB-CG 4Å; W1188-E1191 PolarHBondContact N-OE2 2.86Å; W1188-E1191 PolarHBondContact O-N 3.37Å; W1188-L1322 HydrophobicContact CE3-CD2 4.36Å; W1188-L1322 HydrophobicContact CH2-CD1 4.5Å; W1188-L1322 HydrophobicContact CH2-CD2 3.76Å; W1188-L1322 HydrophobicContact CZ3-CD1 3.78Å; W1188-L1322 HydrophobicContact CZ3-CD2 3.35Å; W1188-L1322 HydrophobicContact CZ3-CG 4.14Å; W1188-L1349 HydrophobicContact CZ2-CD1 4.34Å; W1188-L1349 VanDerWaalsContact NE1-CD2 3.34Å | ||
| 1189 | W | 55.1 | Low | 58.1 | Low | 1 Ų | 1 | 72.2 Ų | 72.2 | 0% | 0.004 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -20.4 | -171.1 | 69.8 | -95.4 | 0 | 0 | 0 | 114.2 | L1177 K1195 L1196 V1199 Q1215 L1322 M1325 P1327 | L1177-W1189 HydrophobicContact CD1-CB 4.24Å; L1177-W1189 HydrophobicContact CD1-CD2 4.49Å; L1177-W1189 HydrophobicContact CD1-CG 4.43Å; L1177-W1189 HydrophobicContact CG-CB 4.47Å; L1177-W1189 HydrophobicContact CG-CG 4.37Å; L1177-W1189 VanDerWaalsContact O-CB 3.29Å; L1177-W1189 WeakPolarHBondContact O-CB 3.24Å; W1189-K1195 HydrophobicContact CB-CD 4.32Å; W1189-K1195 WeakPolarHBondContact O-CB 3.41Å; W1189-L1196 HydrophobicContact CZ3-CD1 4.06Å; W1189-V1199 HydrophobicContact CE3-CG2 3.51Å; W1189-V1199 HydrophobicContact CZ3-CB 4.45Å; W1189-V1199 HydrophobicContact CZ3-CG1 4.39Å; W1189-V1199 HydrophobicContact CZ3-CG2 3.52Å; W1189-Q1215 VanDerWaalsContact CZ2-NE2 3.32Å; W1189-L1322 PolarHBondContact NE1-O 2.83Å; W1189-M1325 VanDerWaalsContact CZ2-O 3.32Å; W1189-M1325 WeakPolarHBondContact CZ2-O 3.1Å; W1189-P1327 HydrophobicContact CH2-CG 3.92Å; W1189-P1327 HydrophobicContact CZ3-CG 4.01Å |
| 1190 | W | 58.5 | Low | 58.2 | Low | 3 Ų | 3 | 76 Ų | 76 | 1% | 0.011 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -31.4 | 171.1 | 57 | 88.5 | 0 | 0 | 0 | 113.3 | W1188 S1192 M1325 P1327 L1331 P1350 | W1188-W1190 VanDerWaalsContact C-N 3.31Å; W1188-W1190 HydrophobicContact CB-CD2 4.01Å; W1188-W1190 HydrophobicContact CB-CE3 4.34Å; W1188-W1190 HydrophobicContact CB-CH2 4.09Å; W1188-W1190 HydrophobicContact CB-CZ2 3.74Å; W1188-W1190 HydrophobicContact CB-CZ3 4.39Å; W1188-W1190 AromaticContact CD2-CH2 3.84Å; W1188-W1190 HydrophobicContact CD2-CH2 3.84Å; W1188-W1190 AromaticContact CD2-CZ2 3.85Å; W1188-W1190 HydrophobicContact CD2-CZ2 3.85Å; W1188-W1190 AromaticContact CE3-CH2 3.69Å; W1188-W1190 HydrophobicContact CE3-CH2 3.69Å; W1188-W1190 HydrophobicContact CE3-CZ2 4.2Å; W1188-W1190 HydrophobicContact CE3-CZ3 4.29Å; W1188-W1190 HydrophobicContact CG-CH2 4.06Å; W1188-W1190 AromaticContact CG-CZ2 3.67Å; W1188-W1190 HydrophobicContact CG-CZ2 3.67Å; W1188-W1190 HydrophobicContact CZ3-CH2 4.39Å; W1188-W1190 PolarHBondContact O-N 3.48Å; W1190-S1192 CarbonylContact O-C 3.32Å; W1190-S1192 PolarHBondContact O-N 2.87Å; W1190-M1325 HydrophobicContact CH2-CB 4.25Å; W1190-M1325 HydrophobicContact CH2-CE 4.04Å; W1190-M1325 HydrophobicContact CH2-SD 3.71Å; W1190-M1325 HydrophobicContact CZ2-CE 4.38Å; W1190-M1325 HydrophobicContact CZ3-CB 4.02Å; W1190-M1325 HydrophobicContact CZ3-SD 4.29Å; W1190-P1327 HydrophobicContact CB-CB 4.1Å; W1190-L1331 HydrophobicContact CB-CD2 3.84Å; W1190-L1331 WeakPolarHBondContact O-CD2 3.27Å; W1190-P1350 HydrophobicContact CZ2-CG 4.2Å |
| 1191 | E | 53.6 | Low | 58.4 | Low | 87 Ų | 87 | 83.2 Ų | 83.2 | 41% | 0.407 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -31.8 | -175.1 | -79.5 | 179.3 | 145.3 | 0 | 0 | 114.2 | H1187 W1188 | H1187-E1191 VanDerWaalsContact CA-OE2 3.3Å; H1187-E1191 WeakPolarHBondContact CA-OE2 3.39Å; W1188-E1191 HydrophobicContact CB-CG 4Å; W1188-E1191 PolarHBondContact N-OE2 2.86Å; W1188-E1191 PolarHBondContact O-N 3.37Å |
| 1192 | S | 55 | Low | 59 | Low | 46 Ų | 46 | 82.1 Ų | 82.1 | 32% | 0.322 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -96.2 | 118.7 | 168.4 | -176.6 | 0 | 0 | 0 | 0 | 111 | W1190 S1194 K1195 L1196 | W1190-S1192 CarbonylContact O-C 3.32Å; W1190-S1192 PolarHBondContact O-N 2.87Å; S1192-S1194 PolarHBondContact O-N 3.43Å; S1192-S1194 VanDerWaalsContact O-N 3.08Å; S1192-S1194 PolarHBondContact OG-N 3.35Å; S1192-S1194 PolarHBondContact OG-OG 2.93Å; S1192-K1195 WeakPolarHBondContact O-CA 3.2Å; S1192-K1195 WeakPolarHBondContact O-CB 3.42Å; S1192-K1195 PolarHBondContact O-N 2.85Å; S1192-L1196 PolarHBondContact O-N 2.82Å |
| 1193 | K | 60.5 | Low | 60.2 | Low | 161 Ų | 161 | 79.8 Ų | 79.8 | 70% | 0.7 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -55.5 | -27 | 172 | -163.4 | 165.2 | -174 | 164.7 | 0 | 112.8 | E1197 | K1193-E1197 PolarHBondContact O-N 2.79Å |
| 1194 | S | 61.9 | Low | 61.8 | Low | 84 Ų | 84 | 76.5 Ų | 76.5 | 59% | 0.587 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -76.7 | -29.3 | 173.3 | 67.7 | 0 | 0 | 0 | 0 | 114.1 | S1192 F1198 | S1192-S1194 PolarHBondContact O-N 3.43Å; S1192-S1194 VanDerWaalsContact O-N 3.08Å; S1192-S1194 PolarHBondContact OG-N 3.35Å; S1192-S1194 PolarHBondContact OG-OG 2.93Å; S1194-F1198 VanDerWaalsContact O-CB 3.32Å; S1194-F1198 WeakPolarHBondContact O-CB 3.46Å; S1194-F1198 PolarHBondContact O-N 3.38Å |
| 1195 | K | 59.5 | Low | 63.8 | Low | 68 Ų | 68 | 71.4 Ų | 71.4 | 30% | 0.296 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -70.9 | -38.5 | 168.8 | -77.6 | -168.7 | 179.3 | -172.4 | 0 | 110.3 | H1187 W1189 S1192 F1198 V1199 | H1187-K1195 PolarHBondContact O-NZ 3.35Å; W1189-K1195 HydrophobicContact CB-CD 4.32Å; W1189-K1195 WeakPolarHBondContact O-CB 3.41Å; S1192-K1195 WeakPolarHBondContact O-CA 3.2Å; S1192-K1195 WeakPolarHBondContact O-CB 3.42Å; S1192-K1195 PolarHBondContact O-N 2.85Å; K1195-F1198 WeakPolarHBondContact O-CB 3.42Å; K1195-F1198 PolarHBondContact O-N 3.37Å; K1195-F1198 VanDerWaalsContact O-N 3.11Å; K1195-V1199 WeakPolarHBondContact O-CG2 3.15Å; K1195-V1199 PolarHBondContact O-N 3.02Å |
| 1196 | L | 63.8 | Low | 65.8 | Low | 37 Ų | 37 | 68.8 Ų | 68.8 | 19% | 0.194 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 173.3 | -178.5 | 57.2 | 0 | 0 | 0 | 112.3 | W1189 S1192 F1198 V1199 P1327 L1331 | W1189-L1196 HydrophobicContact CZ3-CD1 4.06Å; S1192-L1196 PolarHBondContact O-N 2.82Å; L1196-F1198 VanDerWaalsContact C-N 3.29Å; L1196-F1198 PolarHBondContact O-N 2.86Å; L1196-V1199 WeakPolarHBondContact O-CB 3.25Å; L1196-V1199 PolarHBondContact O-N 2.9Å; L1196-P1327 HydrophobicContact CD1-CB 3.88Å; L1196-P1327 HydrophobicContact CD1-CG 3.3Å; L1196-P1327 HydrophobicContact CD2-CB 4.12Å; L1196-P1327 HydrophobicContact CD2-CG 4.4Å; L1196-P1327 HydrophobicContact CG-CG 4.49Å; L1196-L1331 HydrophobicContact CD2-CD1 4.2Å; L1196-L1331 HydrophobicContact CD2-CD2 4.37Å |
| 1197 | E | 66.4 | Low | 68.1 | Low | 97 Ų | 97 | 61.8 Ų | 61.8 | 45% | 0.453 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.7 | -30.6 | 171.8 | -78.3 | -169.8 | -134.9 | 0 | 0 | 113.2 | K1193 K1201 | K1193-E1197 PolarHBondContact O-N 2.79Å; E1197-K1201 WeakPolarHBondContact O-CB 3.35Å; E1197-K1201 WeakPolarHBondContact O-CD 3.25Å; E1197-K1201 VanDerWaalsContact O-CG 3.26Å; E1197-K1201 WeakPolarHBondContact O-CG 3.32Å; E1197-K1201 PolarHBondContact O-N 3.43Å; E1197-K1201 IonicContact OE2-NZ 3.83Å; E1197-K1201 PolarHBondContact OE2-NZ 2.76Å |
| 1198 | F | 61.6 | Low | 70 | Confident | 111 Ų | 111 | 56.8 Ų | 56.8 | 49% | 0.487 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.1 | -37.3 | 176.8 | 177.8 | -91.4 | 0 | 0 | 0 | 112.2 | S1194 K1195 L1196 N1200 K1201 S1202 | S1194-F1198 VanDerWaalsContact O-CB 3.32Å; S1194-F1198 WeakPolarHBondContact O-CB 3.46Å; S1194-F1198 PolarHBondContact O-N 3.38Å; K1195-F1198 WeakPolarHBondContact O-CB 3.42Å; K1195-F1198 PolarHBondContact O-N 3.37Å; K1195-F1198 VanDerWaalsContact O-N 3.11Å; L1196-F1198 VanDerWaalsContact C-N 3.29Å; L1196-F1198 PolarHBondContact O-N 2.86Å; F1198-N1200 PolarHBondContact O-N 3.28Å; F1198-K1201 PolarHBondContact O-N 3.42Å; F1198-K1201 VanDerWaalsContact O-N 3.1Å; F1198-S1202 VanDerWaalsContact CE2-CB 3.41Å; F1198-S1202 VanDerWaalsContact CE2-OG 3.29Å; F1198-S1202 WeakPolarHBondContact CE2-OG 3.25Å; F1198-S1202 WeakPolarHBondContact CZ-OG 3.44Å; F1198-S1202 WeakPolarHBondContact O-CB 3.25Å; F1198-S1202 PolarHBondContact O-N 3.44Å |
| 1199 | V | 65.1 | Low | 71.7 | Confident | 8 Ų | 8 | 55.2 Ų | 55.2 | 5% | 0.048 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -51 | -55.4 | 174.5 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | L1177 W1189 K1195 L1196 K1201 L1203 L1208 | L1177-V1199 HydrophobicContact CD1-CG2 3.66Å; W1189-V1199 HydrophobicContact CE3-CG2 3.51Å; W1189-V1199 HydrophobicContact CZ3-CB 4.45Å; W1189-V1199 HydrophobicContact CZ3-CG1 4.39Å; W1189-V1199 HydrophobicContact CZ3-CG2 3.52Å; K1195-V1199 WeakPolarHBondContact O-CG2 3.15Å; K1195-V1199 PolarHBondContact O-N 3.02Å; L1196-V1199 WeakPolarHBondContact O-CB 3.25Å; L1196-V1199 PolarHBondContact O-N 2.9Å; V1199-K1201 VanDerWaalsContact C-N 3.26Å; V1199-K1201 PolarHBondContact O-N 2.82Å; V1199-L1203 HydrophobicContact CB-CD1 4.49Å; V1199-L1203 HydrophobicContact CG1-CD1 3.8Å; V1199-L1203 PolarHBondContact O-N 3.28Å; V1199-L1208 HydrophobicContact CG1-CD1 4.48Å |
| 1200 | N | 64.6 | Low | 73.4 | Confident | 110 Ų | 110 | 55.3 Ų | 55.3 | 59% | 0.588 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -75.2 | -7.1 | -178.5 | -79.9 | -21.6 | 0 | 0 | 0 | 114.6 | F1198 | F1198-N1200 PolarHBondContact O-N 3.28Å |
| 1201 | K | 69.7 | Low | 74.7 | Confident | 156 Ų | 156 | 55.3 Ų | 55.3 | 68% | 0.678 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -116 | -17.7 | -176.5 | -70.5 | 173.3 | -178 | 171.4 | 0 | 114.6 | E1197 F1198 V1199 | E1197-K1201 WeakPolarHBondContact O-CB 3.35Å; E1197-K1201 WeakPolarHBondContact O-CD 3.25Å; E1197-K1201 VanDerWaalsContact O-CG 3.26Å; E1197-K1201 WeakPolarHBondContact O-CG 3.32Å; E1197-K1201 PolarHBondContact O-N 3.43Å; E1197-K1201 IonicContact OE2-NZ 3.83Å; E1197-K1201 PolarHBondContact OE2-NZ 2.76Å; F1198-K1201 PolarHBondContact O-N 3.42Å; F1198-K1201 VanDerWaalsContact O-N 3.1Å; V1199-K1201 VanDerWaalsContact C-N 3.26Å; V1199-K1201 PolarHBondContact O-N 2.82Å |
| 1202 | S | 74.8 | Confident | 76.2 | Confident | 49 Ų | 49 | 55.5 Ų | 55.5 | 34% | 0.343 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -138 | -10.8 | -166.9 | -165.7 | 0 | 0 | 0 | 0 | 116.1 | F1198 | F1198-S1202 VanDerWaalsContact CE2-CB 3.41Å; F1198-S1202 VanDerWaalsContact CE2-OG 3.29Å; F1198-S1202 WeakPolarHBondContact CE2-OG 3.25Å; F1198-S1202 WeakPolarHBondContact CZ-OG 3.44Å; F1198-S1202 WeakPolarHBondContact O-CB 3.25Å; F1198-S1202 PolarHBondContact O-N 3.44Å |
| 1203 | L | 85.1 | Confident | 77.9 | Confident | 14 Ų | 14 | 54 Ų | 54 | 7% | 0.073 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -66.5 | 150.6 | 171.3 | -74.3 | -178.4 | 0 | 0 | 0 | 111.1 | Q1173 L1177 V1199 N1207 L1208 V1211 | Q1173-L1203 HydrophobicContact CG-CD2 3.71Å; L1177-L1203 HydrophobicContact CD2-CD1 4.16Å; L1177-L1203 HydrophobicContact CD2-CD2 4.25Å; V1199-L1203 HydrophobicContact CB-CD1 4.49Å; V1199-L1203 HydrophobicContact CG1-CD1 3.8Å; V1199-L1203 PolarHBondContact O-N 3.28Å; L1203-N1207 HydrophobicContact CD2-CB 4.45Å; L1203-L1208 HydrophobicContact CB-CB 3.93Å; L1203-L1208 HydrophobicContact CB-CD1 4.49Å; L1203-L1208 HydrophobicContact CD1-CB 4.5Å; L1203-L1208 HydrophobicContact CD1-CD1 4.29Å; L1203-V1211 HydrophobicContact CD1-CG2 4.32Å |
| 1204 | Q | 91.5 | Very high | 79.1 | Confident | 26 Ų | 26 | 46.4 Ų | 46.4 | 12% | 0.121 | 24% | 0.237 | C | C | . | . | trans | -70.7 | 150.2 | 168.8 | -70.1 | -57.4 | -73.2 | 0 | 0 | 110.7 | N1164 I1168 L1170 E1206 N1207 L1208 | N1164-Q1204 PolarHBondContact ND2-OE1 3.12Å; I1168-Q1204 HydrophobicContact CB-CG 3.97Å; I1168-Q1204 VanDerWaalsContact CD1-CD 3.46Å; I1168-Q1204 HydrophobicContact CD1-CG 3.73Å; I1168-Q1204 HydrophobicContact CG1-CG 4.46Å; I1168-Q1204 HydrophobicContact CG2-CG 3.82Å; L1170-Q1204 HydrophobicContact CD2-CB 4.06Å; Q1204-E1206 WeakPolarHBondContact CB-OE2 3.41Å; Q1204-E1206 PolarHBondContact O-N 2.75Å; Q1204-E1206 VanDerWaalsContact O-N 3.16Å; Q1204-N1207 PolarHBondContact O-N 3.46Å; Q1204-N1207 VanDerWaalsContact O-N 3.09Å; Q1204-L1208 WeakPolarHBondContact O-CB 3.4Å; Q1204-L1208 PolarHBondContact O-N 2.87Å | ||
| 1205 | P | 91.5 | Very high | 79.9 | Confident | 46 Ų | 46 | 43.2 Ų | 43.2 | 30% | 0.299 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -53.1 | -38.1 | -176.4 | -30.6 | 39.7 | 0 | 0 | 0 | 113.7 | H1000 A1209 | H1000-P1205 WeakPolarHBondContact O-CB 3.22Å; P1205-A1209 VanDerWaalsContact O-CB 3.24Å; P1205-A1209 WeakPolarHBondContact O-CB 3.06Å; P1205-A1209 PolarHBondContact O-N 3.03Å |
| 1206 | E | 93.7 | Very high | 80.6 | Confident | 3 Ų | 3 | 44.4 Ų | 44.4 | 1% | 0.014 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.4 | -54.7 | 175.6 | -56.2 | 80.8 | 177 | 0 | 0 | 111.6 | S1001 H1002 I1007 N1164 L1170 Q1204 A1209 L1210 | S1001-E1206 WeakPolarHBondContact CA-OE1 3.42Å; S1001-E1206 WeakPolarHBondContact CB-OE1 2.93Å; H1002-E1206 PolarHBondContact N-OE1 2.77Å; I1007-E1206 HydrophobicContact CD1-CB 4Å; I1007-E1206 HydrophobicContact CD1-CG 4.06Å; N1164-E1206 PolarHBondContact ND2-OE1 3.33Å; N1164-E1206 PolarHBondContact ND2-OE2 2.9Å; L1170-E1206 HydrophobicContact CD1-CB 3.74Å; L1170-E1206 HydrophobicContact CD1-CG 4.06Å; L1170-E1206 HydrophobicContact CD2-CB 4.13Å; Q1204-E1206 WeakPolarHBondContact CB-OE2 3.41Å; Q1204-E1206 PolarHBondContact O-N 2.75Å; Q1204-E1206 VanDerWaalsContact O-N 3.16Å; E1206-A1209 PolarHBondContact O-N 3.36Å; E1206-L1210 VanDerWaalsContact O-CB 3.32Å; E1206-L1210 WeakPolarHBondContact O-CB 3.46Å; E1206-L1210 PolarHBondContact O-N 2.9Å |
| 1207 | N | 92.4 | Very high | 81.3 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.2 | -35 | -179.3 | -86.7 | -14.7 | 0 | 0 | 0 | 113 | L1170 Q1173 L1174 L1203 Q1204 A1209 V1211 | L1170-N1207 WeakPolarHBondContact CA-ND2 3.47Å; L1170-N1207 PolarHBondContact O-ND2 3.46Å; Q1173-N1207 PolarHBondContact OE1-ND2 2.82Å; L1174-N1207 HydrophobicContact CD2-CB 4.42Å; L1203-N1207 HydrophobicContact CD2-CB 4.45Å; Q1204-N1207 PolarHBondContact O-N 3.46Å; Q1204-N1207 VanDerWaalsContact O-N 3.09Å; N1207-A1209 VanDerWaalsContact C-N 3.32Å; N1207-V1211 WeakPolarHBondContact O-CB 3.38Å; N1207-V1211 WeakPolarHBondContact O-CG2 3.32Å; N1207-V1211 PolarHBondContact O-N 3.32Å |
| 1208 | L | 89.9 | Confident | 81.6 | Confident | 42 Ų | 42 | 43.5 Ų | 43.5 | 22% | 0.22 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.6 | -42.7 | 177.2 | 179.2 | 60.5 | 0 | 0 | 0 | 110.8 | V1199 L1203 Q1204 K1212 | V1199-L1208 HydrophobicContact CG1-CD1 4.48Å; L1203-L1208 HydrophobicContact CB-CB 3.93Å; L1203-L1208 HydrophobicContact CB-CD1 4.49Å; L1203-L1208 HydrophobicContact CD1-CB 4.5Å; L1203-L1208 HydrophobicContact CD1-CD1 4.29Å; Q1204-L1208 WeakPolarHBondContact O-CB 3.4Å; Q1204-L1208 PolarHBondContact O-N 2.87Å; L1208-K1212 WeakPolarHBondContact O-CB 3.28Å; L1208-K1212 VanDerWaalsContact O-CG 3.3Å; L1208-K1212 WeakPolarHBondContact O-CG 3.31Å; L1208-K1212 PolarHBondContact O-N 3.46Å |
| 1209 | A | 91.1 | Very high | 82.4 | Confident | 9 Ų | 9 | 38.5 Ų | 38.5 | 7% | 0.074 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71.3 | -43.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111 | I998 P1205 E1206 N1207 K1212 W1213 | I998-A1209 HydrophobicContact CB-CB 4.1Å; I998-A1209 HydrophobicContact CD1-CB 3.34Å; I998-A1209 HydrophobicContact CG1-CB 3.71Å; P1205-A1209 VanDerWaalsContact O-CB 3.24Å; P1205-A1209 WeakPolarHBondContact O-CB 3.06Å; P1205-A1209 PolarHBondContact O-N 3.03Å; E1206-A1209 PolarHBondContact O-N 3.36Å; N1207-A1209 VanDerWaalsContact C-N 3.32Å; A1209-K1212 PolarHBondContact O-N 2.77Å; A1209-W1213 PolarHBondContact O-N 3.5Å |
| 1210 | L | 91.2 | Very high | 82.7 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.6 | -51.3 | 172.7 | 169.7 | 53.5 | 0 | 0 | 0 | 113.2 | I1066 L1069 L1174 E1206 K1212 W1213 L1214 L1320 N1596 | I1066-L1210 HydrophobicContact CD1-CD2 4.47Å; L1069-L1210 HydrophobicContact CD1-CD2 4.31Å; L1069-L1210 HydrophobicContact CD2-CD2 4.44Å; L1174-L1210 HydrophobicContact CD1-CD2 3.98Å; E1206-L1210 VanDerWaalsContact O-CB 3.32Å; E1206-L1210 WeakPolarHBondContact O-CB 3.46Å; E1206-L1210 PolarHBondContact O-N 2.9Å; L1210-K1212 VanDerWaalsContact C-N 3.33Å; L1210-K1212 PolarHBondContact O-N 3.47Å; L1210-W1213 PolarHBondContact O-N 2.87Å; L1210-L1214 HydrophobicContact CD1-CD1 3.8Å; L1210-L1214 HydrophobicContact CD1-CG 4.1Å; L1210-L1214 HydrophobicContact CG-CD1 4.3Å; L1210-L1214 PolarHBondContact O-N 2.88Å; L1210-L1320 HydrophobicContact CD2-CD2 4.18Å; L1210-N1596 HydrophobicContact CD1-CB 3.96Å; L1210-N1596 WeakPolarHBondContact CD1-O 3.44Å |
| 1211 | V | 86.9 | Confident | 83.3 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.8 | -41.6 | -180 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | L1174 L1177 L1203 N1207 Q1215 A1323 | L1174-V1211 HydrophobicContact CD2-CG2 3.73Å; L1177-V1211 HydrophobicContact CD2-CG2 4.33Å; L1203-V1211 HydrophobicContact CD1-CG2 4.32Å; N1207-V1211 WeakPolarHBondContact O-CB 3.38Å; N1207-V1211 WeakPolarHBondContact O-CG2 3.32Å; N1207-V1211 PolarHBondContact O-N 3.32Å; V1211-Q1215 WeakPolarHBondContact O-CB 3.43Å; V1211-Q1215 WeakPolarHBondContact O-CG 3.16Å; V1211-Q1215 PolarHBondContact O-N 3.48Å; V1211-A1323 HydrophobicContact CG2-CB 4.26Å |
| 1212 | K | 84.6 | Confident | 84 | Confident | 92 Ų | 92 | 27.6 Ų | 27.6 | 40% | 0.4 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -61.9 | -46.3 | 173.4 | -78 | 177.8 | 170 | -163.3 | 0 | 112.3 | L1208 A1209 L1210 Q1215 L1216 | L1208-K1212 WeakPolarHBondContact O-CB 3.28Å; L1208-K1212 VanDerWaalsContact O-CG 3.3Å; L1208-K1212 WeakPolarHBondContact O-CG 3.31Å; L1208-K1212 PolarHBondContact O-N 3.46Å; A1209-K1212 PolarHBondContact O-N 2.77Å; L1210-K1212 VanDerWaalsContact C-N 3.33Å; L1210-K1212 PolarHBondContact O-N 3.47Å; K1212-Q1215 PolarHBondContact O-N 2.88Å; K1212-L1216 WeakPolarHBondContact O-CG 3.35Å; K1212-L1216 PolarHBondContact O-N 3.31Å |
| 1213 | W | 89.3 | Confident | 84.7 | Confident | 15 Ų | 15 | 25.3 Ų | 25.3 | 6% | 0.057 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.1 | -50.7 | -179.2 | -176.9 | 87.7 | 0 | 0 | 0 | 111.7 | I998 T1107 A1209 L1210 Q1215 L1216 Y1217 D1595 V1597 | I998-W1213 HydrophobicContact CG2-CB 3.71Å; I998-W1213 HydrophobicContact CG2-CG 4.04Å; T1107-W1213 HydrophobicContact CG2-CH2 4.45Å; T1107-W1213 HydrophobicContact CG2-CZ2 4.03Å; A1209-W1213 PolarHBondContact O-N 3.5Å; L1210-W1213 PolarHBondContact O-N 2.87Å; W1213-Q1215 PolarHBondContact O-N 2.84Å; W1213-Q1215 VanDerWaalsContact O-N 3.13Å; W1213-L1216 PolarHBondContact O-N 3.35Å; W1213-Y1217 AromaticContact CE2-CG 3.97Å; W1213-Y1217 HydrophobicContact CE3-CG 4.42Å; W1213-Y1217 AromaticContact CH2-CD1 3.15Å; W1213-Y1217 HydrophobicContact CH2-CD1 3.15Å; W1213-Y1217 AromaticContact CH2-CD2 3.69Å; W1213-Y1217 HydrophobicContact CH2-CD2 3.69Å; W1213-Y1217 AromaticContact CH2-CE1 3.47Å; W1213-Y1217 HydrophobicContact CH2-CE1 3.47Å; W1213-Y1217 VanDerWaalsContact CH2-CE1 3.47Å; W1213-Y1217 HydrophobicContact CH2-CE2 4.03Å; W1213-Y1217 AromaticContact CH2-CG 3.25Å; W1213-Y1217 HydrophobicContact CH2-CG 3.25Å; W1213-Y1217 AromaticContact CH2-CZ 3.91Å; W1213-Y1217 AromaticContact CZ2-CD1 3.81Å; W1213-Y1217 HydrophobicContact CZ2-CD1 3.81Å; W1213-Y1217 AromaticContact CZ2-CD2 3.41Å; W1213-Y1217 HydrophobicContact CZ2-CD2 3.41Å; W1213-Y1217 VanDerWaalsContact CZ2-CD2 3.41Å; W1213-Y1217 HydrophobicContact CZ2-CE1 4.17Å; W1213-Y1217 AromaticContact CZ2-CE2 3.87Å; W1213-Y1217 HydrophobicContact CZ2-CE2 3.87Å; W1213-Y1217 AromaticContact CZ2-CG 3.38Å; W1213-Y1217 HydrophobicContact CZ2-CG 3.38Å; W1213-Y1217 AromaticContact CZ3-CD1 3.57Å; W1213-Y1217 HydrophobicContact CZ3-CD1 3.57Å; W1213-Y1217 HydrophobicContact CZ3-CE1 4.2Å; W1213-Y1217 AromaticContact CZ3-CG 3.79Å; W1213-Y1217 HydrophobicContact CZ3-CG 3.79Å; W1213-Y1217 VanDerWaalsContact O-CB 3.25Å; W1213-Y1217 WeakPolarHBondContact O-CB 3.21Å; W1213-Y1217 PolarHBondContact O-N 2.73Å; W1213-D1595 VanDerWaalsContact CD1-CA 3.41Å; W1213-D1595 VanDerWaalsContact CE2-CA 3.49Å; W1213-D1595 VanDerWaalsContact NE1-CA 3.27Å; W1213-D1595 PolarHBondContact NE1-OD1 2.89Å; W1213-V1597 HydrophobicContact CE3-CG2 4.35Å; W1213-V1597 VanDerWaalsContact CE3-N 3.29Å; W1213-V1597 HydrophobicContact CH2-CB 4.41Å; W1213-V1597 HydrophobicContact CH2-CG2 3.26Å; W1213-V1597 HydrophobicContact CZ2-CG2 4.3Å; W1213-V1597 HydrophobicContact CZ3-CB 4.03Å; W1213-V1597 HydrophobicContact CZ3-CG2 3.32Å; W1213-V1597 VanDerWaalsContact CZ3-N 3.3Å |
| 1214 | L | 86.6 | Confident | 85 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -54.3 | -37.7 | 179.4 | -86.2 | 169.4 | 0 | 0 | 0 | 112.1 | L1210 Q1218 L1320 A1323 | L1210-L1214 HydrophobicContact CD1-CD1 3.8Å; L1210-L1214 HydrophobicContact CD1-CG 4.1Å; L1210-L1214 HydrophobicContact CG-CD1 4.3Å; L1210-L1214 PolarHBondContact O-N 2.88Å; L1214-Q1218 PolarHBondContact O-N 2.88Å; L1214-L1320 HydrophobicContact CD1-CD2 3.91Å; L1214-A1323 HydrophobicContact CD1-CB 4.21Å |
| 1215 | Q | 77.9 | Confident | 85 | Confident | 17 Ų | 17 | 23.8 Ų | 23.8 | 8% | 0.079 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -78.2 | -25.9 | -179.3 | -74.6 | 177.4 | 23.5 | 0 | 0 | 114.8 | W1189 V1211 K1212 W1213 A1323 S1324 M1325 N1326 | W1189-Q1215 VanDerWaalsContact CZ2-NE2 3.32Å; V1211-Q1215 WeakPolarHBondContact O-CB 3.43Å; V1211-Q1215 WeakPolarHBondContact O-CG 3.16Å; V1211-Q1215 PolarHBondContact O-N 3.48Å; K1212-Q1215 PolarHBondContact O-N 2.88Å; W1213-Q1215 PolarHBondContact O-N 2.84Å; W1213-Q1215 VanDerWaalsContact O-N 3.13Å; Q1215-A1323 WeakPolarHBondContact CG-O 3.33Å; Q1215-A1323 PolarHBondContact NE2-O 2.78Å; Q1215-S1324 WeakPolarHBondContact CG-O 3.43Å; Q1215-M1325 PolarHBondContact NE2-O 3.42Å; Q1215-N1326 HydrophobicContact CB-CB 3.82Å; Q1215-N1326 HydrophobicContact CG-CB 3.73Å; Q1215-N1326 PolarHBondContact OE1-ND2 3.31Å |
| 1216 | L | 74.3 | Confident | 84.6 | Confident | 94 Ų | 94 | 21.8 Ų | 21.8 | 49% | 0.492 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -85.5 | -37.2 | 172.5 | -70.7 | 170.8 | 0 | 0 | 0 | 111.5 | K1212 W1213 | K1212-L1216 WeakPolarHBondContact O-CG 3.35Å; K1212-L1216 PolarHBondContact O-N 3.31Å; W1213-L1216 PolarHBondContact O-N 3.35Å |
| 1217 | Y | 79 | Confident | 83.8 | Confident | 10 Ų | 10 | 23.2 Ų | 23.2 | 4% | 0.039 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -72.5 | -39 | 179.8 | -176.2 | -107.5 | 0 | 0 | 0 | 111.8 | E1011 K1062 I1063 I1105 T1107 W1213 A1219 | E1011-Y1217 WeakPolarHBondContact OE2-CE2 3.18Å; K1062-Y1217 HydrophobicContact CB-CD1 4.39Å; K1062-Y1217 HydrophobicContact CB-CE1 3.63Å; K1062-Y1217 HydrophobicContact CD-CD1 4.2Å; K1062-Y1217 HydrophobicContact CD-CD2 4.11Å; K1062-Y1217 HydrophobicContact CD-CE1 4.04Å; K1062-Y1217 HydrophobicContact CD-CE2 3.87Å; K1062-Y1217 HydrophobicContact CD-CG 4.26Å; K1062-Y1217 WeakPolarHBondContact CD-O 3.34Å; K1062-Y1217 WeakPolarHBondContact CE-O 3.43Å; K1062-Y1217 HydrophobicContact CG-CE1 4.24Å; K1062-Y1217 HydrophobicContact CG-CE2 4.3Å; K1062-Y1217 PolarHBondContact NZ-O 2.8Å; I1063-Y1217 PolarHBondContact O-OH 3.27Å; I1105-Y1217 WeakPolarHBondContact CG2-OH 3.39Å; T1107-Y1217 VanDerWaalsContact OG1-CZ 3.29Å; T1107-Y1217 PolarHBondContact OG1-OH 3.18Å; T1107-Y1217 VanDerWaalsContact OG1-OH 3.1Å; W1213-Y1217 AromaticContact CE2-CG 3.97Å; W1213-Y1217 HydrophobicContact CE3-CG 4.42Å; W1213-Y1217 AromaticContact CH2-CD1 3.15Å; W1213-Y1217 HydrophobicContact CH2-CD1 3.15Å; W1213-Y1217 AromaticContact CH2-CD2 3.69Å; W1213-Y1217 HydrophobicContact CH2-CD2 3.69Å; W1213-Y1217 AromaticContact CH2-CE1 3.47Å; W1213-Y1217 HydrophobicContact CH2-CE1 3.47Å; W1213-Y1217 VanDerWaalsContact CH2-CE1 3.47Å; W1213-Y1217 HydrophobicContact CH2-CE2 4.03Å; W1213-Y1217 AromaticContact CH2-CG 3.25Å; W1213-Y1217 HydrophobicContact CH2-CG 3.25Å; W1213-Y1217 AromaticContact CH2-CZ 3.91Å; W1213-Y1217 AromaticContact CZ2-CD1 3.81Å; W1213-Y1217 HydrophobicContact CZ2-CD1 3.81Å; W1213-Y1217 AromaticContact CZ2-CD2 3.41Å; W1213-Y1217 HydrophobicContact CZ2-CD2 3.41Å; W1213-Y1217 VanDerWaalsContact CZ2-CD2 3.41Å; W1213-Y1217 HydrophobicContact CZ2-CE1 4.17Å; W1213-Y1217 AromaticContact CZ2-CE2 3.87Å; W1213-Y1217 HydrophobicContact CZ2-CE2 3.87Å; W1213-Y1217 AromaticContact CZ2-CG 3.38Å; W1213-Y1217 HydrophobicContact CZ2-CG 3.38Å; W1213-Y1217 AromaticContact CZ3-CD1 3.57Å; W1213-Y1217 HydrophobicContact CZ3-CD1 3.57Å; W1213-Y1217 HydrophobicContact CZ3-CE1 4.2Å; W1213-Y1217 AromaticContact CZ3-CG 3.79Å; W1213-Y1217 HydrophobicContact CZ3-CG 3.79Å; W1213-Y1217 VanDerWaalsContact O-CB 3.25Å; W1213-Y1217 WeakPolarHBondContact O-CB 3.21Å; W1213-Y1217 PolarHBondContact O-N 2.73Å; Y1217-A1219 HydrophobicContact CD1-CB 3.86Å; Y1217-A1219 HydrophobicContact CE1-CB 3.94Å |
| 1218 | Q | 73.8 | Confident | 82.6 | Confident | 105 Ų | 105 | 24.5 Ų | 24.5 | 49% | 0.491 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 64.8 | -177.8 | -53.3 | -173.9 | -64.2 | 0 | 0 | 112.2 | L1214 Y1586 | L1214-Q1218 PolarHBondContact O-N 2.88Å; Q1218-Y1586 HydrophobicContact CG-CE1 4.48Å |
| 1219 | A | 77 | Confident | 81.3 | Confident | 6 Ų | 6 | 30.2 Ų | 30.2 | 5% | 0.05 | 15% | 0.149 | C | C | . | . | trans | -62.1 | 140.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y1217 I1222 P1354 | Y1217-A1219 HydrophobicContact CD1-CB 3.86Å; Y1217-A1219 HydrophobicContact CE1-CB 3.94Å; A1219-I1222 HydrophobicContact CB-CD1 4.35Å; A1219-I1222 HydrophobicContact CB-CG1 4.05Å; A1219-I1222 HydrophobicContact CB-CG2 3.69Å; A1219-P1354 VanDerWaalsContact O-CB 3.24Å; A1219-P1354 WeakPolarHBondContact O-CB 3.3Å | ||
| 1220 | N | 71.8 | Confident | 80 | Confident | 45 Ų | 45 | 33.3 Ų | 33.3 | 24% | 0.241 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -89.9 | -30.5 | 175.9 | -57 | 103.4 | 0 | 0 | 0 | 112.1 | K1062 P1355 L1398 | K1062-N1220 PolarHBondContact N-OD1 2.72Å; K1062-N1220 PolarHBondContact O-N 2.81Å; N1220-P1355 WeakPolarHBondContact O-CD 3.29Å; N1220-L1398 HydrophobicContact CB-CD1 4.36Å |
| 1221 | S | 77.3 | Confident | 79 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -155.6 | 163.9 | 174 | -73.6 | 0 | 0 | 0 | 0 | 108.4 | K1062 I1063 T1393 | K1062-S1221 PolarHBondContact O-N 3.12Å; I1063-S1221 VanDerWaalsContact CA-O 3.27Å; I1063-S1221 WeakPolarHBondContact CA-O 2.93Å; S1221-T1393 PolarHBondContact OG-O 2.88Å |
| 1222 | I | 85.4 | Confident | 78.4 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -164.2 | 150.7 | -149.4 | 1.4 | 163.2 | 0 | 0 | 0 | 106.8 | A1064 A1219 P1354 P1355 I1357 N1598 V1599 | A1064-I1222 HydrophobicContact CB-CB 4.31Å; A1064-I1222 HydrophobicContact CB-CG2 3.28Å; A1064-I1222 CarbonylContact O-C 3.5Å; A1219-I1222 HydrophobicContact CB-CD1 4.35Å; A1219-I1222 HydrophobicContact CB-CG1 4.05Å; A1219-I1222 HydrophobicContact CB-CG2 3.69Å; I1222-P1354 HydrophobicContact CD1-CB 3.86Å; I1222-P1354 HydrophobicContact CD1-CG 3.89Å; I1222-P1354 HydrophobicContact CG1-CB 4.3Å; I1222-P1355 WeakPolarHBondContact CD1-O 3.37Å; I1222-I1357 WeakPolarHBondContact O-CD1 3.28Å; I1222-I1357 WeakPolarHBondContact O-CG1 3.32Å; I1222-N1598 WeakPolarHBondContact CD1-O 3.36Å; I1222-V1599 VanDerWaalsContact C-CA 3.49Å; I1222-V1599 CarbonylContact C-O 2.54Å; I1222-V1599 WeakPolarHBondContact CA-O 3.33Å; I1222-V1599 WeakPolarHBondContact CB-O 3.46Å; I1222-V1599 WeakPolarHBondContact CG1-O 3.14Å; I1222-V1599 PolarHBondContact N-O 2.77Å; I1222-V1599 CarbonylContact O-C 3.46Å; I1222-V1599 WeakPolarHBondContact O-CA 3.49Å; I1222-V1599 PolarHBondContact O-N 2.88Å | ||
| 1223 | I | 89.3 | Confident | 78 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -149.9 | 98.4 | -168.3 | -50.6 | -175.7 | 0 | 0 | 0 | 118.9 | I1063 A1064 V1065 F1225 I1357 L1359 M1386 I1390 N1598 | I1063-I1223 HydrophobicContact CG2-CD1 4.27Å; I1063-I1223 HydrophobicContact CG2-CG1 4.41Å; A1064-I1223 PolarHBondContact O-N 3.07Å; V1065-I1223 HydrophobicContact CG1-CB 4.44Å; V1065-I1223 HydrophobicContact CG2-CB 4.3Å; I1223-F1225 HydrophobicContact CG2-CZ 4.4Å; I1223-I1357 HydrophobicContact CB-CD1 3.98Å; I1223-I1357 HydrophobicContact CB-CG1 4.45Å; I1223-I1357 HydrophobicContact CG1-CD1 3.76Å; I1223-I1357 HydrophobicContact CG2-CD1 3.9Å; I1223-L1359 HydrophobicContact CG2-CD1 3.45Å; I1223-L1359 VanDerWaalsContact CG2-CD1 3.45Å; I1223-L1359 HydrophobicContact CG2-CG 4.15Å; I1223-M1386 HydrophobicContact CD1-CE 4.25Å; I1223-M1386 HydrophobicContact CG2-CE 3.76Å; I1223-M1386 HydrophobicContact CG2-SD 4.28Å; I1223-I1390 HydrophobicContact CD1-CB 4.35Å; I1223-I1390 HydrophobicContact CD1-CD1 4.4Å; I1223-I1390 HydrophobicContact CD1-CG1 3.34Å; I1223-N1598 VanDerWaalsContact CA-OD1 3.27Å; I1223-N1598 WeakPolarHBondContact CA-OD1 3.23Å; I1223-N1598 PolarHBondContact N-OD1 3.4Å; I1223-N1598 PolarHBondContact O-ND2 3.32Å; I1223-N1598 PolarHBondContact O-OD1 3.25Å | ||
| 1224 | S | 91.1 | Very high | 77.3 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -113.2 | 161.1 | -174.8 | 91.3 | 0 | 0 | 0 | 0 | 120.4 | P1226 I1357 G1358 L1359 N1598 V1599 | S1224-P1226 WeakPolarHBondContact O-CD 3.14Å; S1224-P1226 WeakPolarHBondContact OG-CD 3.43Å; S1224-I1357 PolarHBondContact OG-O 3.38Å; S1224-G1358 CarbonylContact O-C 3.6Å; S1224-L1359 WeakPolarHBondContact O-CA 3.42Å; S1224-L1359 WeakPolarHBondContact O-CB 3.27Å; S1224-L1359 PolarHBondContact O-N 2.77Å; S1224-N1598 WeakPolarHBondContact CA-ND2 3.49Å; S1224-N1598 WeakPolarHBondContact CB-ND2 3.15Å; S1224-N1598 PolarHBondContact N-ND2 2.85Å; S1224-V1599 VanDerWaalsContact OG-CG2 3.23Å; S1224-V1599 WeakPolarHBondContact OG-CG2 3.38Å | ||
| 1225 | F | 90.5 | Very high | 76.6 | Confident | 8 Ų | 8 | 30.3 Ų | 30.3 | 4% | 0.035 | 15% | 0.154 | C | C | . | . | trans | -117.1 | 82.3 | 173.4 | -41 | -90.3 | 0 | 0 | 0 | 109.6 | V1065 I1066 T1076 L1080 I1223 L1359 L1361 F1382 M1386 | V1065-F1225 HydrophobicContact CG1-CE2 3.81Å; V1065-F1225 HydrophobicContact CG1-CZ 4.23Å; I1066-F1225 WeakPolarHBondContact O-CD2 3.38Å; T1076-F1225 HydrophobicContact CG2-CB 3.73Å; T1076-F1225 HydrophobicContact CG2-CD2 3.3Å; T1076-F1225 HydrophobicContact CG2-CE2 4.16Å; T1076-F1225 HydrophobicContact CG2-CG 3.6Å; L1080-F1225 HydrophobicContact CD1-CD2 4.32Å; L1080-F1225 HydrophobicContact CD1-CE2 4.08Å; L1080-F1225 HydrophobicContact CD2-CE2 3.72Å; L1080-F1225 HydrophobicContact CD2-CZ 4.09Å; L1080-F1225 HydrophobicContact CG-CE2 4.23Å; I1223-F1225 HydrophobicContact CG2-CZ 4.4Å; F1225-L1359 WeakPolarHBondContact CA-O 3.43Å; F1225-L1359 HydrophobicContact CD1-CB 3.64Å; F1225-L1359 HydrophobicContact CD1-CD1 4.42Å; F1225-L1359 VanDerWaalsContact CD1-O 3.3Å; F1225-L1359 WeakPolarHBondContact CD1-O 3.35Å; F1225-L1359 HydrophobicContact CE1-CB 3.67Å; F1225-L1359 HydrophobicContact CE1-CD1 3.58Å; F1225-L1359 HydrophobicContact CE1-CG 4.23Å; F1225-L1359 HydrophobicContact CZ-CD1 3.93Å; F1225-L1361 HydrophobicContact CD1-CD1 3.51Å; F1225-L1361 HydrophobicContact CD1-CG 3.85Å; F1225-L1361 HydrophobicContact CE1-CD1 3.9Å; F1225-L1361 HydrophobicContact CE1-CG 4.41Å; F1225-L1361 HydrophobicContact CG-CD1 4.43Å; F1225-F1382 AromaticContact CE1-CE2 3.99Å; F1225-F1382 HydrophobicContact CE1-CE2 3.99Å; F1225-F1382 HydrophobicContact CE1-CZ 4.01Å; F1225-F1382 HydrophobicContact CZ-CE2 4.46Å; F1225-F1382 HydrophobicContact CZ-CZ 4.05Å; F1225-M1386 HydrophobicContact CE1-SD 4.35Å; F1225-M1386 HydrophobicContact CZ-CE 4.11Å; F1225-M1386 HydrophobicContact CZ-SD 3.96Å | ||
| 1226 | P | 84.5 | Confident | 75.8 | Confident | 4 Ų | 4 | 30.5 Ų | 30.5 | 3% | 0.026 | 16% | 0.155 | C | C | . | . | trans | -76.4 | 144.7 | 172.4 | 33 | -31.3 | 0 | 0 | 0 | 109.1 | W1171 S1224 D1228 F1312 A1313 A1316 T1360 | W1171-P1226 HydrophobicContact CZ2-CB 4.13Å; S1224-P1226 WeakPolarHBondContact O-CD 3.14Å; S1224-P1226 WeakPolarHBondContact OG-CD 3.43Å; P1226-D1228 PolarHBondContact O-N 2.59Å; P1226-F1312 HydrophobicContact CB-CE1 4.35Å; P1226-A1313 HydrophobicContact CG-CB 3.77Å; P1226-A1316 HydrophobicContact CB-CB 4.17Å; P1226-T1360 HydrophobicContact CG-CG2 4.17Å; P1226-T1360 WeakPolarHBondContact O-CG2 3.34Å | ||
| 1227 | T | 75.8 | Confident | 75 | Confident | 33 Ų | 33 | 26.7 Ų | 26.7 | 20% | 0.202 | 14% | 0.136 | C | C | . | . | trans | -81.4 | 104.2 | 179.2 | 56.5 | 0 | 0 | 0 | 0 | 110.7 | H1070 D1073 F1312 F1366 | H1070-T1227 PolarHBondContact ND1-OG1 3.48Å; D1073-T1227 HydrophobicContact CB-CG2 4.1Å; T1227-F1312 WeakPolarHBondContact O-CD1 3.34Å; T1227-F1366 HydrophobicContact CG2-CE1 4.13Å | ||
| 1228 | D | 68.3 | Low | 73.9 | Confident | 29 Ų | 29 | 27 Ų | 27 | 16% | 0.155 | 14% | 0.138 | C | C | . | . | trans | -138.4 | 169.5 | 176.1 | -156.9 | -16.6 | 0 | 0 | 0 | 110.5 | P1226 L1230 N1310 F1312 A1313 T1360 P1363 | P1226-D1228 PolarHBondContact O-N 2.59Å; D1228-L1230 PolarHBondContact O-N 2.9Å; D1228-N1310 HydrophobicContact CB-CB 4.47Å; D1228-N1310 VanDerWaalsContact OD2-C 3.25Å; D1228-N1310 WeakPolarHBondContact OD2-CA 3.29Å; D1228-N1310 VanDerWaalsContact OD2-CB 3.28Å; D1228-N1310 WeakPolarHBondContact OD2-CB 3.07Å; D1228-F1312 HydrophobicContact CB-CD1 4.45Å; D1228-F1312 WeakPolarHBondContact OD2-CB 3.49Å; D1228-F1312 PolarHBondContact OD2-N 2.96Å; D1228-A1313 HydrophobicContact CB-CB 3.79Å; D1228-A1313 PolarHBondContact OD2-N 3.13Å; D1228-T1360 HydrophobicContact CB-CG2 3.95Å; D1228-P1363 WeakPolarHBondContact O-CB 3.44Å; D1228-P1363 VanDerWaalsContact O-CG 3.27Å; D1228-P1363 WeakPolarHBondContact O-CG 3.4Å | ||
| 1229 | Q | 61.1 | Low | 72.8 | Confident | 161 Ų | 161 | 24.9 Ų | 24.9 | 75% | 0.752 | 13% | 0.134 | S | C | * | . | S | Bend | trans | -74.7 | -11.2 | -159.8 | -63.7 | -170.4 | -1.8 | 0 | 0 | 117.1 | P1363 | Q1229-P1363 WeakPolarHBondContact O-CB 3.37Å; Q1229-P1363 VanDerWaalsContact O-CG 3.29Å; Q1229-P1363 WeakPolarHBondContact O-CG 3.45Å |
| 1230 | L | 64.8 | Low | 71.6 | Confident | 74 Ų | 74 | 27.8 Ų | 27.8 | 39% | 0.387 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -141 | 153.1 | -177.2 | -64.5 | 171.3 | 0 | 0 | 0 | 111.7 | D1228 F1308 N1310 T1360 | D1228-L1230 PolarHBondContact O-N 2.9Å; L1230-F1308 HydrophobicContact CD1-CB 3.59Å; L1230-F1308 HydrophobicContact CD1-CG 4.14Å; L1230-N1310 PolarHBondContact O-ND2 2.99Å; L1230-T1360 WeakPolarHBondContact O-CB 3.19Å; L1230-T1360 PolarHBondContact O-OG1 2.97Å |
| 1231 | S | 70.5 | Confident | 70.8 | Confident | 14 Ų | 14 | 25.9 Ų | 25.9 | 10% | 0.098 | 14% | 0.14 | C | C | . | . | trans | -85.8 | 116.4 | 174.6 | 67.6 | 0 | 0 | 0 | 0 | 112.6 | T1360 L1361 Y1380 | S1231-T1360 WeakPolarHBondContact CA-O 2.85Å; S1231-T1360 WeakPolarHBondContact CB-O 2.83Å; S1231-L1361 VanDerWaalsContact CB-O 3.29Å; S1231-L1361 WeakPolarHBondContact CB-O 3Å; S1231-Y1380 WeakPolarHBondContact CB-OH 3.29Å; S1231-Y1380 PolarHBondContact OG-OH 2.86Å | ||
| 1232 | D | 73.3 | Confident | 69.6 | Low | 29 Ų | 29 | 26.7 Ų | 26.7 | 16% | 0.155 | 15% | 0.146 | C | C | . | . | trans | -153.1 | 159.7 | 171 | -174.6 | 40.7 | 0 | 0 | 0 | 109.4 | N1234 R1257 T1360 K1602 | D1232-N1234 PolarHBondContact O-N 3.2Å; D1232-R1257 IonicContact OD1-CZ 3.1Å; D1232-R1257 IonicContact OD1-NE 2.69Å; D1232-R1257 PolarHBondContact OD1-NE 3Å; D1232-R1257 IonicContact OD1-NH2 3.25Å; D1232-R1257 PolarHBondContact OD1-NH2 2.99Å; D1232-R1257 VanDerWaalsContact OD1-NH2 3.1Å; D1232-R1257 IonicContact OD2-NH2 2.63Å; D1232-T1360 PolarHBondContact N-O 3.03Å; D1232-T1360 PolarHBondContact N-OG1 3.3Å; D1232-T1360 PolarHBondContact O-N 3.47Å; D1232-T1360 PolarHBondContact O-OG1 2.83Å; D1232-T1360 VanDerWaalsContact O-OG1 3.07Å; D1232-K1602 IonicContact OD2-NZ 2.82Å; D1232-K1602 PolarHBondContact OD2-NZ 3.21Å | ||
| 1233 | I | 75.7 | Confident | 68.2 | Low | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | -78.8 | 97.3 | 163.4 | -65 | -173.8 | 0 | 0 | 0 | 107.4 | Y1235 L1267 L1359 L1389 K1602 | I1233-Y1235 HydrophobicContact CG2-CD2 3.51Å; I1233-Y1235 HydrophobicContact CG2-CE2 3.88Å; I1233-L1267 HydrophobicContact CD1-CD1 3.56Å; I1233-L1267 HydrophobicContact CG1-CD1 3.77Å; I1233-L1267 HydrophobicContact CG1-CD2 4.11Å; I1233-L1359 HydrophobicContact CB-CD2 4.29Å; I1233-L1359 HydrophobicContact CD1-CD2 4.24Å; I1233-L1359 HydrophobicContact CG1-CD2 3.75Å; I1233-L1359 HydrophobicContact CG2-CD2 4.11Å; I1233-L1389 HydrophobicContact CD1-CD1 4.29Å; I1233-K1602 PolarHBondContact O-NZ 3.21Å |
| 1234 | N | 74.5 | Confident | 66.6 | Low | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | trans | -89.2 | 179.3 | 164.6 | -63.6 | -73.9 | 0 | 0 | 0 | 110.9 | D1232 A1313 K1314 I1357 G1358 K1602 | D1232-N1234 PolarHBondContact O-N 3.2Å; N1234-A1313 HydrophobicContact CB-CB 4.3Å; N1234-K1314 HydrophobicContact CB-CG 4.12Å; N1234-I1357 WeakPolarHBondContact O-CG2 3.14Å; N1234-G1358 VanDerWaalsContact CA-O 3.29Å; N1234-G1358 WeakPolarHBondContact CA-O 3.3Å; N1234-G1358 WeakPolarHBondContact CB-O 3.31Å; N1234-G1358 PolarHBondContact N-O 2.82Å; N1234-G1358 PolarHBondContact O-N 3.13Å; N1234-K1602 PolarHBondContact OD1-NZ 2.82Å | ||
| 1235 | Y | 72 | Confident | 65 | Low | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | 154.4 | 145.1 | -120.1 | -114.5 | -107.3 | 0 | 0 | 0 | 101.9 | I1233 Y1253 L1256 K1314 S1356 V1600 D1601 K1602 | I1233-Y1235 HydrophobicContact CG2-CD2 3.51Å; I1233-Y1235 HydrophobicContact CG2-CE2 3.88Å; Y1235-Y1253 HydrophobicContact CD1-CD2 4.16Å; Y1235-Y1253 HydrophobicContact CD1-CG 4.11Å; Y1235-Y1253 VanDerWaalsContact CE1-CA 3.49Å; Y1235-Y1253 HydrophobicContact CE1-CG 4.45Å; Y1235-L1256 HydrophobicContact CE2-CB 4.03Å; Y1235-L1256 HydrophobicContact CE2-CD1 4.39Å; Y1235-L1256 WeakPolarHBondContact OH-CD1 3.47Å; Y1235-K1314 WeakPolarHBondContact O-CD 3.45Å; Y1235-K1314 WeakPolarHBondContact O-CG 3.3Å; Y1235-S1356 CarbonylContact C-O 3.13Å; Y1235-S1356 VanDerWaalsContact C-O 3.32Å; Y1235-S1356 WeakPolarHBondContact CA-O 3.41Å; Y1235-V1600 WeakPolarHBondContact CA-O 2.97Å; Y1235-V1600 HydrophobicContact CD1-CG2 4.21Å; Y1235-V1600 HydrophobicContact CD2-CB 4.5Å; Y1235-V1600 HydrophobicContact CD2-CG2 3.14Å; Y1235-V1600 HydrophobicContact CE1-CG2 4.02Å; Y1235-V1600 HydrophobicContact CE2-CB 4.18Å; Y1235-V1600 HydrophobicContact CE2-CG2 2.98Å; Y1235-V1600 HydrophobicContact CG-CG2 3.71Å; Y1235-D1601 WeakPolarHBondContact CD1-O 3.44Å; Y1235-D1601 HydrophobicContact CE1-CB 4.22Å; Y1235-D1601 VanDerWaalsContact CE1-N 3.3Å; Y1235-D1601 WeakPolarHBondContact CE1-O 3.49Å; Y1235-D1601 WeakPolarHBondContact CE1-OD2 3.39Å; Y1235-D1601 VanDerWaalsContact CZ-OD2 3.31Å; Y1235-D1601 PolarHBondContact OH-OD2 3.21Å; Y1235-K1602 VanDerWaalsContact C-CB 3.49Å; Y1235-K1602 HydrophobicContact CD1-CB 4.37Å; Y1235-K1602 VanDerWaalsContact CD1-N 3.34Å; Y1235-K1602 HydrophobicContact CG-CD 4.24Å; Y1235-K1602 WeakPolarHBondContact O-CB 3.34Å | |||
| 1236 | E | 61.7 | Low | 63.4 | Low | 22 Ų | 22 | 38.7 Ų | 38.7 | 10% | 0.103 | 21% | 0.205 | C | C | . | . | trans | -152.6 | 135.3 | 160.7 | -167.1 | 64.2 | -55.1 | 0 | 0 | 114.2 | L1182 K1314 L1318 S1356 V1600 K1602 | L1182-E1236 HydrophobicContact CD2-CG 4.25Å; E1236-K1314 HydrophobicContact CB-CB 4.33Å; E1236-K1314 HydrophobicContact CB-CD 4.35Å; E1236-K1314 VanDerWaalsContact CD-NZ 3.34Å; E1236-K1314 HydrophobicContact CG-CB 4.48Å; E1236-K1314 HydrophobicContact CG-CD 4.28Å; E1236-K1314 WeakPolarHBondContact OE1-CD 3.47Å; E1236-K1314 IonicContact OE1-NZ 3.19Å; E1236-K1314 PolarHBondContact OE1-NZ 3.01Å; E1236-K1314 WeakPolarHBondContact OE2-CD 3.44Å; E1236-K1314 IonicContact OE2-NZ 3.74Å; E1236-K1314 PolarHBondContact OE2-NZ 3.23Å; E1236-L1318 HydrophobicContact CB-CB 4.3Å; E1236-L1318 HydrophobicContact CG-CD2 4.33Å; E1236-S1356 PolarHBondContact N-O 2.79Å; E1236-V1600 PolarHBondContact N-O 3.19Å; E1236-V1600 VanDerWaalsContact N-O 3.09Å; E1236-K1602 VanDerWaalsContact CA-CB 3.43Å; E1236-K1602 VanDerWaalsContact CA-N 3.27Å; E1236-K1602 VanDerWaalsContact N-N 3.12Å; E1236-K1602 PolarHBondContact O-N 3.3Å; E1236-K1602 WeakPolarHBondContact OE1-CB 3.36Å | ||
| 1237 | T | 58.5 | Low | 62.1 | Low | 14 Ų | 14 | 42.5 Ų | 42.5 | 9% | 0.086 | 23% | 0.225 | C | C | . | . | trans | -80.2 | 152.7 | 171.5 | 46.9 | 0 | 0 | 0 | 0 | 111.7 | P1239 L1249 K1602 | T1237-P1239 WeakPolarHBondContact O-CD 3.31Å; T1237-L1249 HydrophobicContact CG2-CB 3.61Å; T1237-L1249 HydrophobicContact CG2-CD1 3.92Å; T1237-L1249 HydrophobicContact CG2-CG 4.42Å; T1237-K1602 WeakPolarHBondContact CG2-O 3.48Å; T1237-K1602 PolarHBondContact OG1-O 3.44Å; T1237-K1602 VanDerWaalsContact OG1-O 3.12Å | ||
| 1238 | D | 54.4 | Low | 61.2 | Low | 17 Ų | 17 | 41.6 Ų | 41.6 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | trans | -57.7 | 120.4 | 167.3 | -168.4 | -50.6 | 0 | 0 | 0 | 111 | T1240 E1241 L1429 | D1238-T1240 PolarHBondContact O-N 3.49Å; D1238-T1240 WeakPolarHBondContact OD1-CA 3.24Å; D1238-T1240 VanDerWaalsContact OD1-CB 3.24Å; D1238-T1240 WeakPolarHBondContact OD1-CB 3.16Å; D1238-T1240 WeakPolarHBondContact OD1-CG2 3.38Å; D1238-T1240 PolarHBondContact OD1-N 3.23Å; D1238-T1240 PolarHBondContact OD1-OG1 3.41Å; D1238-E1241 VanDerWaalsContact O-CB 3.25Å; D1238-E1241 WeakPolarHBondContact O-CB 3.23Å; D1238-E1241 PolarHBondContact O-N 2.83Å; D1238-L1429 VanDerWaalsContact OD2-CD1 3.24Å; D1238-L1429 WeakPolarHBondContact OD2-CD1 3.04Å | ||
| 1239 | P | 52.4 | Low | 60.8 | Low | 60 Ų | 60 | 42.9 Ų | 42.9 | 39% | 0.39 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -15.5 | -177.3 | 28.5 | -35.3 | 0 | 0 | 0 | 113.8 | T1237 E1241 | T1237-P1239 WeakPolarHBondContact O-CD 3.31Å; P1239-E1241 PolarHBondContact O-N 2.77Å |
| 1240 | T | 50 | Low | 60.7 | Low | 66 Ų | 66 | 35.3 Ų | 35.3 | 41% | 0.405 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -8.7 | 177.6 | 71.3 | 0 | 0 | 0 | 0 | 113.6 | D1238 | D1238-T1240 PolarHBondContact O-N 3.49Å; D1238-T1240 WeakPolarHBondContact OD1-CA 3.24Å; D1238-T1240 VanDerWaalsContact OD1-CB 3.24Å; D1238-T1240 WeakPolarHBondContact OD1-CB 3.16Å; D1238-T1240 WeakPolarHBondContact OD1-CG2 3.38Å; D1238-T1240 PolarHBondContact OD1-N 3.23Å; D1238-T1240 PolarHBondContact OD1-OG1 3.41Å |
| 1241 | E | 56.1 | Low | 60.4 | Low | 6 Ų | 6 | 35.4 Ų | 35.4 | 3% | 0.028 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -73.2 | 165.2 | -166 | -167.9 | 38.8 | -117 | 0 | 0 | 114.8 | D1238 P1239 R1246 V1425 R1426 S1427 | D1238-E1241 VanDerWaalsContact O-CB 3.25Å; D1238-E1241 WeakPolarHBondContact O-CB 3.23Å; D1238-E1241 PolarHBondContact O-N 2.83Å; P1239-E1241 PolarHBondContact O-N 2.77Å; E1241-R1246 HydrophobicContact CB-CG 4.31Å; E1241-R1246 PolarHBondContact O-NH1 3.23Å; E1241-R1246 PolarHBondContact O-NH2 3.49Å; E1241-V1425 WeakPolarHBondContact OE1-CA 3.11Å; E1241-V1425 WeakPolarHBondContact OE1-CG1 3.23Å; E1241-V1425 WeakPolarHBondContact OE2-CG1 3.37Å; E1241-R1426 PolarHBondContact OE1-N 2.76Å; E1241-S1427 WeakPolarHBondContact OE2-CB 3.01Å; E1241-S1427 PolarHBondContact OE2-N 3.44Å; E1241-S1427 VanDerWaalsContact OE2-N 3.12Å; E1241-S1427 PolarHBondContact OE2-OG 3.06Å |
| 1242 | S | 52.7 | Low | 59.9 | Low | 16 Ų | 16 | 35.1 Ų | 35.1 | 11% | 0.112 | 19% | 0.187 | C | C | . | . | trans | -54.2 | 156 | 170 | 177.5 | 0 | 0 | 0 | 0 | 111 | Y1244 G1245 R1246 Y1424 | S1242-Y1244 PolarHBondContact OG-N 2.88Å; S1242-G1245 VanDerWaalsContact CB-N 3.33Å; S1242-G1245 PolarHBondContact O-N 2.85Å; S1242-G1245 PolarHBondContact OG-N 2.66Å; S1242-R1246 PolarHBondContact O-N 3.41Å; S1242-R1246 PolarHBondContact O-NH2 2.04Å; S1242-Y1424 WeakPolarHBondContact CB-O 3.32Å; S1242-Y1424 PolarHBondContact OG-O 3.21Å | ||
| 1243 | A | 55.4 | Low | 59.5 | Low | 60 Ų | 60 | 34 Ų | 34 | 50% | 0.496 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.3 | -52.9 | 165 | 0 | 0 | 0 | 0 | 0 | 109.1 | G1245 R1246 D1247 | A1243-G1245 VanDerWaalsContact C-N 3.32Å; A1243-G1245 PolarHBondContact O-N 2.86Å; A1243-R1246 CarbonylContact O-C 3.56Å; A1243-R1246 WeakPolarHBondContact O-CA 3.05Å; A1243-R1246 WeakPolarHBondContact O-CB 3.43Å; A1243-R1246 PolarHBondContact O-N 3.38Å; A1243-R1246 VanDerWaalsContact O-N 3.15Å; A1243-D1247 PolarHBondContact O-N 2.79Å |
| 1244 | Y | 54.5 | Low | 58.8 | Low | 111 Ų | 111 | 36.3 Ų | 36.3 | 44% | 0.435 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.2 | -32.8 | 177.3 | -168.4 | -79.3 | 0 | 0 | 0 | 113.4 | S1242 R1246 D1247 L1248 Y1424 | S1242-Y1244 PolarHBondContact OG-N 2.88Å; Y1244-R1246 VanDerWaalsContact C-N 3.35Å; Y1244-D1247 WeakPolarHBondContact CA-OD2 3.41Å; Y1244-D1247 CarbonylContact O-C 3.46Å; Y1244-D1247 VanDerWaalsContact O-C 3.25Å; Y1244-D1247 VanDerWaalsContact O-CA 3.31Å; Y1244-D1247 WeakPolarHBondContact O-CA 2.97Å; Y1244-D1247 WeakPolarHBondContact O-CB 3.18Å; Y1244-D1247 PolarHBondContact O-N 3.1Å; Y1244-L1248 HydrophobicContact CD1-CB 4.44Å; Y1244-L1248 HydrophobicContact CE1-CB 4.23Å; Y1244-L1248 PolarHBondContact O-N 3.37Å; Y1244-Y1424 HydrophobicContact CD1-CD1 4.4Å; Y1244-Y1424 HydrophobicContact CD1-CD2 4.46Å; Y1244-Y1424 AromaticContact CD1-CG 3.8Å; Y1244-Y1424 HydrophobicContact CD1-CG 3.8Å; Y1244-Y1424 HydrophobicContact CE1-CD1 4.35Å; Y1244-Y1424 AromaticContact CE1-CD2 3.93Å; Y1244-Y1424 HydrophobicContact CE1-CD2 3.93Å; Y1244-Y1424 AromaticContact CE1-CG 3.69Å; Y1244-Y1424 HydrophobicContact CE1-CG 3.69Å; Y1244-Y1424 HydrophobicContact CG-CG 4.4Å |
| 1245 | G | 57.9 | Low | 58.2 | Low | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.2 | -41.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | S1242 A1243 D1247 L1248 L1249 | S1242-G1245 VanDerWaalsContact CB-N 3.33Å; S1242-G1245 PolarHBondContact O-N 2.85Å; S1242-G1245 PolarHBondContact OG-N 2.66Å; A1243-G1245 VanDerWaalsContact C-N 3.32Å; A1243-G1245 PolarHBondContact O-N 2.86Å; G1245-D1247 VanDerWaalsContact C-N 3.29Å; G1245-L1248 PolarHBondContact O-N 2.9Å; G1245-L1249 WeakPolarHBondContact O-CB 3.48Å; G1245-L1249 WeakPolarHBondContact O-CG 3.06Å; G1245-L1249 PolarHBondContact O-N 2.71Å |
| 1246 | R | 56.9 | Low | 58 | Low | 88 Ų | 88 | 39.9 Ų | 39.9 | 33% | 0.332 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.9 | -27 | 166.1 | -77.6 | -170.9 | -62.9 | -78.6 | -17.6 | 113.4 | E1241 S1242 A1243 Y1244 S1250 | E1241-R1246 HydrophobicContact CB-CG 4.31Å; E1241-R1246 PolarHBondContact O-NH1 3.23Å; E1241-R1246 PolarHBondContact O-NH2 3.49Å; S1242-R1246 PolarHBondContact O-N 3.41Å; S1242-R1246 PolarHBondContact O-NH2 2.04Å; A1243-R1246 CarbonylContact O-C 3.56Å; A1243-R1246 WeakPolarHBondContact O-CA 3.05Å; A1243-R1246 WeakPolarHBondContact O-CB 3.43Å; A1243-R1246 PolarHBondContact O-N 3.38Å; A1243-R1246 VanDerWaalsContact O-N 3.15Å; Y1244-R1246 VanDerWaalsContact C-N 3.35Å; R1246-S1250 WeakPolarHBondContact O-CB 3.5Å; R1246-S1250 PolarHBondContact O-N 3.24Å |
| 1247 | D | 58.6 | Low | 58.1 | Low | 85 Ų | 85 | 40 Ų | 40 | 46% | 0.455 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -79.6 | -9.8 | 173.8 | -51.7 | -32.8 | 0 | 0 | 0 | 113.4 | A1243 Y1244 G1245 S1250 | A1243-D1247 PolarHBondContact O-N 2.79Å; Y1244-D1247 WeakPolarHBondContact CA-OD2 3.41Å; Y1244-D1247 CarbonylContact O-C 3.46Å; Y1244-D1247 VanDerWaalsContact O-C 3.25Å; Y1244-D1247 VanDerWaalsContact O-CA 3.31Å; Y1244-D1247 WeakPolarHBondContact O-CA 2.97Å; Y1244-D1247 WeakPolarHBondContact O-CB 3.18Å; Y1244-D1247 PolarHBondContact O-N 3.1Å; G1245-D1247 VanDerWaalsContact C-N 3.29Å; D1247-S1250 VanDerWaalsContact C-OG 3.22Å; D1247-S1250 WeakPolarHBondContact CA-OG 3.47Å; D1247-S1250 WeakPolarHBondContact O-CB 3.49Å; D1247-S1250 PolarHBondContact O-OG 2.84Å |
| 1248 | L | 57 | Low | 58.4 | Low | 14 Ų | 14 | 43.7 Ų | 43.7 | 7% | 0.073 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -106.3 | -43.6 | 174.2 | 170.4 | 58.1 | 0 | 0 | 0 | 112.5 | Y1244 G1245 S1250 E1251 L1422 P1445 Y1449 | Y1244-L1248 HydrophobicContact CD1-CB 4.44Å; Y1244-L1248 HydrophobicContact CE1-CB 4.23Å; Y1244-L1248 PolarHBondContact O-N 3.37Å; G1245-L1248 PolarHBondContact O-N 2.9Å; L1248-S1250 PolarHBondContact O-N 2.8Å; L1248-E1251 PolarHBondContact O-N 2.82Å; L1248-E1251 VanDerWaalsContact O-N 3.16Å; L1248-L1422 HydrophobicContact CD2-CD2 3.37Å; L1248-P1445 HydrophobicContact CD1-CG 4.08Å; L1248-Y1449 HydrophobicContact CD1-CE1 3.53Å; L1248-Y1449 HydrophobicContact CD2-CD1 4.31Å; L1248-Y1449 HydrophobicContact CD2-CE1 3.92Å; L1248-Y1449 HydrophobicContact CG-CE1 4.39Å |
| 1249 | L | 59.8 | Low | 58.9 | Low | 56 Ų | 56 | 44.2 Ų | 44.2 | 29% | 0.293 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 12 | 156.4 | -57.4 | 173.2 | 0 | 0 | 0 | 111.1 | T1237 G1245 E1603 | T1237-L1249 HydrophobicContact CG2-CB 3.61Å; T1237-L1249 HydrophobicContact CG2-CD1 3.92Å; T1237-L1249 HydrophobicContact CG2-CG 4.42Å; G1245-L1249 WeakPolarHBondContact O-CB 3.48Å; G1245-L1249 WeakPolarHBondContact O-CG 3.06Å; G1245-L1249 PolarHBondContact O-N 2.71Å; L1249-E1603 WeakPolarHBondContact O-CA 3.31Å; L1249-E1603 WeakPolarHBondContact O-CB 3.24Å; L1249-E1603 WeakPolarHBondContact O-CG 3.02Å; L1249-E1603 PolarHBondContact O-N 2.86Å; L1249-E1603 VanDerWaalsContact O-N 3.08Å |
| 1250 | S | 58.5 | Low | 59.5 | Low | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -5 | 176 | 115.1 | 0 | 0 | 0 | 0 | 116.4 | R1246 D1247 L1248 N1254 E1603 E1604 L1605 | R1246-S1250 WeakPolarHBondContact O-CB 3.5Å; R1246-S1250 PolarHBondContact O-N 3.24Å; D1247-S1250 VanDerWaalsContact C-OG 3.22Å; D1247-S1250 WeakPolarHBondContact CA-OG 3.47Å; D1247-S1250 WeakPolarHBondContact O-CB 3.49Å; D1247-S1250 PolarHBondContact O-OG 2.84Å; L1248-S1250 PolarHBondContact O-N 2.8Å; S1250-N1254 PolarHBondContact O-ND2 3.21Å; S1250-E1603 VanDerWaalsContact C-CG 3.49Å; S1250-E1603 VanDerWaalsContact CA-CB 3.41Å; S1250-E1603 VanDerWaalsContact CA-CG 3.41Å; S1250-E1604 VanDerWaalsContact CB-C 3.44Å; S1250-E1604 WeakPolarHBondContact CB-O 3.37Å; S1250-E1604 PolarHBondContact OG-O 3.39Å; S1250-L1605 WeakPolarHBondContact O-CB 3.35Å; S1250-L1605 WeakPolarHBondContact O-CD1 3.3Å; S1250-L1605 VanDerWaalsContact O-CG 3.24Å; S1250-L1605 WeakPolarHBondContact O-CG 3.08Å; S1250-L1605 PolarHBondContact O-N 3.08Å; S1250-L1605 WeakPolarHBondContact OG-CA 3.48Å; S1250-L1605 PolarHBondContact OG-N 2.67Å |
| 1251 | E | 58.8 | Low | 60.2 | Low | 75 Ų | 75 | 40.8 Ų | 40.8 | 35% | 0.35 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -16.2 | 174.7 | -50.2 | -171.7 | 126.1 | 0 | 0 | 112.5 | L1248 W1255 P1445 E1603 L1605 | L1248-E1251 PolarHBondContact O-N 2.82Å; L1248-E1251 VanDerWaalsContact O-N 3.16Å; E1251-W1255 VanDerWaalsContact O-CB 3.31Å; E1251-W1255 WeakPolarHBondContact O-CB 3.47Å; E1251-W1255 PolarHBondContact O-N 2.83Å; E1251-P1445 HydrophobicContact CB-CB 4.12Å; E1251-P1445 HydrophobicContact CB-CG 3.9Å; E1251-E1603 WeakPolarHBondContact CA-OE2 3.31Å; E1251-E1603 PolarHBondContact N-OE2 3.27Å; E1251-E1603 VanDerWaalsContact N-OE2 3.08Å; E1251-L1605 HydrophobicContact CB-CD1 4.31Å; E1251-L1605 HydrophobicContact CG-CD1 4.04Å; E1251-L1605 HydrophobicContact CG-CD2 4.45Å; E1251-L1605 HydrophobicContact CG-CG 4.09Å |
| 1252 | S | 60 | Low | 60.4 | Low | 9 Ų | 9 | 44.9 Ų | 44.9 | 6% | 0.063 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.9 | -58.9 | 177.9 | -61.5 | 0 | 0 | 0 | 0 | 115 | L1256 D1601 E1603 | S1252-L1256 WeakPolarHBondContact O-CB 3.06Å; S1252-L1256 PolarHBondContact O-N 2.79Å; S1252-D1601 WeakPolarHBondContact CB-OD1 3.41Å; S1252-D1601 PolarHBondContact OG-OD1 3.19Å; S1252-D1601 VanDerWaalsContact OG-OD1 3.09Å; S1252-E1603 PolarHBondContact N-OE2 3.15Å |
| 1253 | Y | 63.2 | Low | 61 | Low | 5 Ų | 5 | 46.1 Ų | 46.1 | 2% | 0.02 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.8 | -34.3 | 177.3 | 109.4 | 41.3 | 0 | 0 | 0 | 113.9 | Y1235 W1255 L1256 R1257 K1602 E1603 E1604 | Y1235-Y1253 HydrophobicContact CD1-CD2 4.16Å; Y1235-Y1253 HydrophobicContact CD1-CG 4.11Å; Y1235-Y1253 VanDerWaalsContact CE1-CA 3.49Å; Y1235-Y1253 HydrophobicContact CE1-CG 4.45Å; Y1253-W1255 VanDerWaalsContact C-N 3.26Å; Y1253-W1255 PolarHBondContact O-N 2.77Å; Y1253-L1256 CarbonylContact O-C 3.46Å; Y1253-L1256 PolarHBondContact O-N 2.84Å; Y1253-R1257 HydrophobicContact CD1-CB 3.74Å; Y1253-R1257 VanDerWaalsContact CD1-CD 3.47Å; Y1253-R1257 HydrophobicContact CD1-CG 4.28Å; Y1253-R1257 HydrophobicContact CE1-CB 4.3Å; Y1253-R1257 HydrophobicContact CE1-CG 4.37Å; Y1253-R1257 VanDerWaalsContact CE1-NH1 3.35Å; Y1253-R1257 VanDerWaalsContact O-CA 3.3Å; Y1253-R1257 WeakPolarHBondContact O-CA 3.44Å; Y1253-R1257 WeakPolarHBondContact O-CB 3.37Å; Y1253-R1257 PolarHBondContact O-N 3.25Å; Y1253-R1257 PolarHBondContact OH-NH1 3.24Å; Y1253-K1602 HydrophobicContact CD2-CB 4.26Å; Y1253-K1602 HydrophobicContact CD2-CD 3.41Å; Y1253-K1602 VanDerWaalsContact CD2-CD 3.41Å; Y1253-K1602 HydrophobicContact CD2-CG 3.48Å; Y1253-K1602 VanDerWaalsContact CD2-CG 3.48Å; Y1253-K1602 HydrophobicContact CE2-CD 3.34Å; Y1253-K1602 HydrophobicContact CE2-CG 3.39Å; Y1253-K1602 HydrophobicContact CG-CD 4.45Å; Y1253-E1603 VanDerWaalsContact C-CD 3.43Å; Y1253-E1603 WeakPolarHBondContact CA-OE2 3.46Å; Y1253-E1603 VanDerWaalsContact CB-CD 3.46Å; Y1253-E1603 VanDerWaalsContact CB-CG 3.47Å; Y1253-E1603 WeakPolarHBondContact CB-OE1 3.49Å; Y1253-E1603 HydrophobicContact CD1-CG 4.45Å; Y1253-E1603 WeakPolarHBondContact CD1-OE1 3.49Å; Y1253-E1603 HydrophobicContact CD2-CB 3.36Å; Y1253-E1603 HydrophobicContact CD2-CG 3.52Å; Y1253-E1603 VanDerWaalsContact CD2-OE1 3.31Å; Y1253-E1603 WeakPolarHBondContact CD2-OE1 3.41Å; Y1253-E1603 WeakPolarHBondContact CE1-OE1 3.39Å; Y1253-E1603 HydrophobicContact CE2-CB 3.83Å; Y1253-E1603 HydrophobicContact CE2-CG 4.42Å; Y1253-E1603 HydrophobicContact CG-CB 3.89Å; Y1253-E1603 HydrophobicContact CG-CG 3.55Å; Y1253-E1603 PolarHBondContact N-OE2 2.71Å; Y1253-E1604 HydrophobicContact CE1-CG 4.49Å; Y1253-E1604 HydrophobicContact CE2-CG 3.77Å; Y1253-E1604 PolarHBondContact OH-OE1 2.82Å |
| 1254 | N | 61.9 | Low | 61.4 | Low | 51 Ų | 51 | 43.3 Ų | 43.3 | 27% | 0.273 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -74.4 | -34.6 | -171.3 | -92.7 | -52 | 0 | 0 | 0 | 107.2 | S1250 F1258 E1603 L1605 | S1250-N1254 PolarHBondContact O-ND2 3.21Å; N1254-F1258 WeakPolarHBondContact O-CA 3.26Å; N1254-F1258 WeakPolarHBondContact O-CB 3.37Å; N1254-F1258 PolarHBondContact O-N 3.34Å; N1254-E1603 WeakPolarHBondContact CA-OE1 3.39Å; N1254-E1603 VanDerWaalsContact CB-OE1 3.26Å; N1254-E1603 WeakPolarHBondContact CB-OE1 3.13Å; N1254-E1603 WeakPolarHBondContact CB-OE2 3.29Å; N1254-E1603 PolarHBondContact N-OE1 2.53Å; N1254-E1603 PolarHBondContact N-OE2 2.75Å; N1254-E1603 PolarHBondContact ND2-OE1 2.91Å; N1254-L1605 HydrophobicContact CB-CD1 4.12Å; N1254-L1605 PolarHBondContact ND2-N 3.36Å |
| 1255 | W | 62.9 | Low | 61.6 | Low | 79 Ų | 79 | 41 Ų | 41 | 30% | 0.299 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64 | -51.9 | 160.5 | -167.4 | -110.2 | 0 | 0 | 0 | 112.9 | E1251 Y1253 R1257 F1258 L1259 H1392 | E1251-W1255 VanDerWaalsContact O-CB 3.31Å; E1251-W1255 WeakPolarHBondContact O-CB 3.47Å; E1251-W1255 PolarHBondContact O-N 2.83Å; Y1253-W1255 VanDerWaalsContact C-N 3.26Å; Y1253-W1255 PolarHBondContact O-N 2.77Å; W1255-R1257 VanDerWaalsContact C-N 3.34Å; W1255-R1257 PolarHBondContact O-N 3.08Å; W1255-F1258 AromaticContact CE3-CD1 3.97Å; W1255-F1258 HydrophobicContact CE3-CD1 3.97Å; W1255-F1258 HydrophobicContact CE3-CE1 4.49Å; W1255-F1258 HydrophobicContact CH2-CD1 4.31Å; W1255-F1258 HydrophobicContact CH2-CE1 4.09Å; W1255-F1258 AromaticContact CZ3-CD1 3.83Å; W1255-F1258 HydrophobicContact CZ3-CD1 3.83Å; W1255-F1258 AromaticContact CZ3-CE1 3.89Å; W1255-F1258 HydrophobicContact CZ3-CE1 3.89Å; W1255-F1258 WeakPolarHBondContact O-CB 3.09Å; W1255-F1258 PolarHBondContact O-N 2.93Å; W1255-L1259 VanDerWaalsContact O-CB 3.3Å; W1255-L1259 WeakPolarHBondContact O-CB 3.03Å; W1255-L1259 PolarHBondContact O-N 3.31Å; W1255-H1392 AromaticContact CD1-CE1 3.42Å; W1255-H1392 VanDerWaalsContact CD1-CE1 3.42Å; W1255-H1392 AromaticContact CD1-NE2 3.12Å; W1255-H1392 AromaticContact NE1-CD2 3.8Å; W1255-H1392 AromaticContact NE1-CE1 3.62Å; W1255-H1392 AromaticContact NE1-NE2 2.83Å; W1255-H1392 PolarHBondContact NE1-NE2 3.09Å |
| 1256 | L | 66.2 | Low | 61.9 | Low | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.9 | -18.3 | -178.1 | -93.6 | 166 | 0 | 0 | 0 | 116.4 | Y1235 S1252 Y1253 L1259 G1260 L1389 H1392 I1396 | Y1235-L1256 HydrophobicContact CE2-CB 4.03Å; Y1235-L1256 HydrophobicContact CE2-CD1 4.39Å; Y1235-L1256 WeakPolarHBondContact OH-CD1 3.47Å; S1252-L1256 WeakPolarHBondContact O-CB 3.06Å; S1252-L1256 PolarHBondContact O-N 2.79Å; Y1253-L1256 CarbonylContact O-C 3.46Å; Y1253-L1256 PolarHBondContact O-N 2.84Å; L1256-L1259 HydrophobicContact CD2-CD2 3.94Å; L1256-G1260 WeakPolarHBondContact O-CA 3.38Å; L1256-G1260 PolarHBondContact O-N 2.8Å; L1256-L1389 HydrophobicContact CD2-CD2 3.48Å; L1256-L1389 VanDerWaalsContact CD2-CD2 3.48Å; L1256-H1392 HydrophobicContact CD2-CB 3.84Å; L1256-I1396 HydrophobicContact CD1-CD1 3.42Å; L1256-I1396 VanDerWaalsContact CD1-CD1 3.42Å; L1256-I1396 HydrophobicContact CG-CD1 4.33Å |
| 1257 | R | 64.8 | Low | 62.3 | Low | 24 Ų | 24 | 39 Ų | 39 | 9% | 0.091 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -98 | -28.7 | 176.1 | -171.5 | -172 | -167.9 | -169.3 | 26.9 | 109.3 | D1232 Y1253 W1255 K1261 | D1232-R1257 IonicContact OD1-CZ 3.1Å; D1232-R1257 IonicContact OD1-NE 2.69Å; D1232-R1257 PolarHBondContact OD1-NE 3Å; D1232-R1257 IonicContact OD1-NH2 3.25Å; D1232-R1257 PolarHBondContact OD1-NH2 2.99Å; D1232-R1257 VanDerWaalsContact OD1-NH2 3.1Å; D1232-R1257 IonicContact OD2-NH2 2.63Å; Y1253-R1257 HydrophobicContact CD1-CB 3.74Å; Y1253-R1257 VanDerWaalsContact CD1-CD 3.47Å; Y1253-R1257 HydrophobicContact CD1-CG 4.28Å; Y1253-R1257 HydrophobicContact CE1-CB 4.3Å; Y1253-R1257 HydrophobicContact CE1-CG 4.37Å; Y1253-R1257 VanDerWaalsContact CE1-NH1 3.35Å; Y1253-R1257 VanDerWaalsContact O-CA 3.3Å; Y1253-R1257 WeakPolarHBondContact O-CA 3.44Å; Y1253-R1257 WeakPolarHBondContact O-CB 3.37Å; Y1253-R1257 PolarHBondContact O-N 3.25Å; Y1253-R1257 PolarHBondContact OH-NH1 3.24Å; W1255-R1257 VanDerWaalsContact C-N 3.34Å; W1255-R1257 PolarHBondContact O-N 3.08Å; R1257-K1261 HydrophobicContact CG-CD 4.1Å; R1257-K1261 HydrophobicContact CG-CG 4.48Å; R1257-K1261 WeakPolarHBondContact O-CB 3.19Å; R1257-K1261 WeakPolarHBondContact O-CD 3.42Å; R1257-K1261 WeakPolarHBondContact O-CG 3.34Å; R1257-K1261 PolarHBondContact O-N 3Å |
| 1258 | F | 64.8 | Low | 62.3 | Low | 93 Ų | 93 | 39 Ų | 39 | 41% | 0.408 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.8 | -53.6 | 159.4 | 165.6 | -105.8 | 0 | 0 | 0 | 109.2 | N1254 W1255 G1260 K1261 L1262 | N1254-F1258 WeakPolarHBondContact O-CA 3.26Å; N1254-F1258 WeakPolarHBondContact O-CB 3.37Å; N1254-F1258 PolarHBondContact O-N 3.34Å; W1255-F1258 AromaticContact CE3-CD1 3.97Å; W1255-F1258 HydrophobicContact CE3-CD1 3.97Å; W1255-F1258 HydrophobicContact CE3-CE1 4.49Å; W1255-F1258 HydrophobicContact CH2-CD1 4.31Å; W1255-F1258 HydrophobicContact CH2-CE1 4.09Å; W1255-F1258 AromaticContact CZ3-CD1 3.83Å; W1255-F1258 HydrophobicContact CZ3-CD1 3.83Å; W1255-F1258 AromaticContact CZ3-CE1 3.89Å; W1255-F1258 HydrophobicContact CZ3-CE1 3.89Å; W1255-F1258 WeakPolarHBondContact O-CB 3.09Å; W1255-F1258 PolarHBondContact O-N 2.93Å; F1258-G1260 PolarHBondContact O-N 2.82Å; F1258-K1261 CarbonylContact O-C 3.53Å; F1258-K1261 PolarHBondContact O-N 3.15Å; F1258-K1261 VanDerWaalsContact O-N 3.17Å; F1258-L1262 HydrophobicContact CE1-CD2 4.04Å; F1258-L1262 HydrophobicContact CZ-CD2 3.99Å; F1258-L1262 WeakPolarHBondContact O-CB 3.33Å; F1258-L1262 PolarHBondContact O-N 3.01Å |
| 1259 | L | 63.7 | Low | 62.3 | Low | 28 Ų | 28 | 47 Ų | 47 | 15% | 0.147 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -53.8 | -51.7 | 173 | -166.2 | 96.9 | 0 | 0 | 0 | 110.5 | W1255 L1256 K1261 L1262 L1263 L1389 H1392 | W1255-L1259 VanDerWaalsContact O-CB 3.3Å; W1255-L1259 WeakPolarHBondContact O-CB 3.03Å; W1255-L1259 PolarHBondContact O-N 3.31Å; L1256-L1259 HydrophobicContact CD2-CD2 3.94Å; L1259-K1261 PolarHBondContact O-N 3.34Å; L1259-L1262 PolarHBondContact O-N 3.18Å; L1259-L1263 HydrophobicContact CD2-CD1 3.93Å; L1259-L1263 HydrophobicContact CG-CD1 3.78Å; L1259-L1263 HydrophobicContact CG-CG 4.44Å; L1259-L1263 WeakPolarHBondContact O-CB 3.16Å; L1259-L1263 VanDerWaalsContact O-CG 3.24Å; L1259-L1263 WeakPolarHBondContact O-CG 3.41Å; L1259-L1263 PolarHBondContact O-N 3.47Å; L1259-L1389 HydrophobicContact CD2-CD2 4.26Å; L1259-H1392 HydrophobicContact CD2-CB 3.7Å |
| 1260 | G | 66.7 | Low | 62.1 | Low | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -55.5 | -44.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1256 F1258 S1264 L1267 | L1256-G1260 WeakPolarHBondContact O-CA 3.38Å; L1256-G1260 PolarHBondContact O-N 2.8Å; F1258-G1260 PolarHBondContact O-N 2.82Å; G1260-S1264 CarbonylContact O-C 3.55Å; G1260-S1264 VanDerWaalsContact O-CA 3.24Å; G1260-S1264 WeakPolarHBondContact O-CA 3.29Å; G1260-S1264 WeakPolarHBondContact O-CB 3.09Å; G1260-S1264 PolarHBondContact O-N 2.97Å; G1260-L1267 WeakPolarHBondContact O-CD1 3.24Å |
| 1261 | K | 64.1 | Low | 62.1 | Low | 53 Ų | 53 | 47.5 Ų | 47.5 | 23% | 0.23 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -75.4 | -29.3 | 177.9 | -72.4 | 162.3 | 172.4 | 177.2 | 0 | 113.8 | R1257 F1258 L1259 S1264 P1265 H1268 | R1257-K1261 HydrophobicContact CG-CD 4.1Å; R1257-K1261 HydrophobicContact CG-CG 4.48Å; R1257-K1261 WeakPolarHBondContact O-CB 3.19Å; R1257-K1261 WeakPolarHBondContact O-CD 3.42Å; R1257-K1261 WeakPolarHBondContact O-CG 3.34Å; R1257-K1261 PolarHBondContact O-N 3Å; F1258-K1261 CarbonylContact O-C 3.53Å; F1258-K1261 PolarHBondContact O-N 3.15Å; F1258-K1261 VanDerWaalsContact O-N 3.17Å; L1259-K1261 PolarHBondContact O-N 3.34Å; K1261-S1264 CarbonylContact O-C 3.51Å; K1261-P1265 WeakPolarHBondContact O-CA 3.22Å; K1261-H1268 WeakPolarHBondContact CD-NE2 3.43Å; K1261-H1268 WeakPolarHBondContact CE-NE2 3.27Å |
| 1262 | L | 60.4 | Low | 62.1 | Low | 92 Ų | 92 | 47.5 Ų | 47.5 | 48% | 0.482 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -70.9 | -48.3 | 177.4 | 177.7 | 68.8 | 0 | 0 | 0 | 109.8 | F1258 L1259 | F1258-L1262 HydrophobicContact CE1-CD2 4.04Å; F1258-L1262 HydrophobicContact CZ-CD2 3.99Å; F1258-L1262 WeakPolarHBondContact O-CB 3.33Å; F1258-L1262 PolarHBondContact O-N 3.01Å; L1259-L1262 PolarHBondContact O-N 3.18Å |
| 1263 | L | 64.2 | Low | 62 | Low | 43 Ų | 43 | 48.5 Ų | 48.5 | 23% | 0.225 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68 | -48.6 | 173 | -63.1 | 169.6 | 0 | 0 | 0 | 110.3 | L1259 P1265 R1381 L1385 | L1259-L1263 HydrophobicContact CD2-CD1 3.93Å; L1259-L1263 HydrophobicContact CG-CD1 3.78Å; L1259-L1263 HydrophobicContact CG-CG 4.44Å; L1259-L1263 WeakPolarHBondContact O-CB 3.16Å; L1259-L1263 VanDerWaalsContact O-CG 3.24Å; L1259-L1263 WeakPolarHBondContact O-CG 3.41Å; L1259-L1263 PolarHBondContact O-N 3.47Å; L1263-P1265 WeakPolarHBondContact O-CD 2.77Å; L1263-R1381 WeakPolarHBondContact O-CD 3.43Å; L1263-R1381 PolarHBondContact O-NH1 2.92Å; L1263-L1385 HydrophobicContact CB-CD1 4.36Å |
| 1264 | S | 64.8 | Low | 61.7 | Low | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -125.7 | 85.3 | -173.3 | -166.9 | 0 | 0 | 0 | 0 | 113.4 | G1260 K1261 S1266 L1267 Y1380 | G1260-S1264 CarbonylContact O-C 3.55Å; G1260-S1264 VanDerWaalsContact O-CA 3.24Å; G1260-S1264 WeakPolarHBondContact O-CA 3.29Å; G1260-S1264 WeakPolarHBondContact O-CB 3.09Å; G1260-S1264 PolarHBondContact O-N 2.97Å; K1261-S1264 CarbonylContact O-C 3.51Å; S1264-S1266 PolarHBondContact O-N 3.48Å; S1264-S1266 VanDerWaalsContact O-N 3.09Å; S1264-L1267 PolarHBondContact O-N 2.94Å; S1264-Y1380 VanDerWaalsContact CB-O 3.22Å; S1264-Y1380 WeakPolarHBondContact CB-O 3.09Å; S1264-Y1380 VanDerWaalsContact OG-C 3.22Å; S1264-Y1380 VanDerWaalsContact OG-CA 3.25Å; S1264-Y1380 WeakPolarHBondContact OG-CA 3.08Å; S1264-Y1380 PolarHBondContact OG-O 3.08Å | ||
| 1265 | P | 59.4 | Low | 61.4 | Low | 63 Ų | 63 | 51.2 Ų | 51.2 | 41% | 0.409 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -58.8 | -22.2 | 178 | -27.7 | 36.3 | 0 | 0 | 0 | 114.8 | K1261 L1263 L1267 H1268 | K1261-P1265 WeakPolarHBondContact O-CA 3.22Å; L1263-P1265 WeakPolarHBondContact O-CD 2.77Å; P1265-L1267 PolarHBondContact O-N 2.96Å; P1265-H1268 WeakPolarHBondContact O-CB 3.16Å; P1265-H1268 PolarHBondContact O-N 3.33Å |
| 1266 | S | 62.3 | Low | 60.5 | Low | 28 Ų | 28 | 52 Ų | 52 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -69.5 | -10.9 | 179.7 | -57.4 | 0 | 0 | 0 | 0 | 113.8 | S1264 H1268 R1269 D1379 | S1264-S1266 PolarHBondContact O-N 3.48Å; S1264-S1266 VanDerWaalsContact O-N 3.09Å; S1266-H1268 PolarHBondContact O-N 3.18Å; S1266-H1268 VanDerWaalsContact O-N 3.13Å; S1266-R1269 CarbonylContact O-C 3.26Å; S1266-R1269 PolarHBondContact O-N 2.73Å; S1266-D1379 WeakPolarHBondContact CB-O 3.28Å; S1266-D1379 PolarHBondContact OG-O 2.87Å |
| 1267 | L | 65.9 | Low | 59.3 | Low | 19 Ų | 19 | 57.4 Ų | 57.4 | 10% | 0.099 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -64.8 | -10.4 | 166 | -69.3 | 164.1 | 0 | 0 | 0 | 113.3 | I1233 G1260 S1264 P1265 Y1380 L1385 | I1233-L1267 HydrophobicContact CD1-CD1 3.56Å; I1233-L1267 HydrophobicContact CG1-CD1 3.77Å; I1233-L1267 HydrophobicContact CG1-CD2 4.11Å; G1260-L1267 WeakPolarHBondContact O-CD1 3.24Å; S1264-L1267 PolarHBondContact O-N 2.94Å; P1265-L1267 PolarHBondContact O-N 2.96Å; L1267-Y1380 HydrophobicContact CD2-CD1 4.27Å; L1267-Y1380 HydrophobicContact CD2-CE1 4.03Å; L1267-Y1380 HydrophobicContact CG-CD1 4.31Å; L1267-Y1380 HydrophobicContact CG-CE1 4.34Å; L1267-L1385 HydrophobicContact CD1-CD1 4.37Å; L1267-L1385 HydrophobicContact CD1-CD2 4.47Å |
| 1268 | H | 59.4 | Low | 57.7 | Low | 86 Ų | 86 | 64.6 Ų | 64.6 | 40% | 0.398 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -90.3 | -15.5 | 168.4 | -90.3 | -76.3 | 0 | 0 | 0 | 114.7 | K1261 P1265 S1266 | K1261-H1268 WeakPolarHBondContact CD-NE2 3.43Å; K1261-H1268 WeakPolarHBondContact CE-NE2 3.27Å; P1265-H1268 WeakPolarHBondContact O-CB 3.16Å; P1265-H1268 PolarHBondContact O-N 3.33Å; S1266-H1268 PolarHBondContact O-N 3.18Å; S1266-H1268 VanDerWaalsContact O-N 3.13Å |
| 1269 | R | 56.8 | Low | 56.2 | Low | 181 Ų | 181 | 64.4 Ų | 64.4 | 68% | 0.683 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -151.6 | 108.2 | -176.9 | -69 | -175.4 | -177.6 | 169.8 | 1.6 | 108.5 | S1266 S1271 | S1266-R1269 CarbonylContact O-C 3.26Å; S1266-R1269 PolarHBondContact O-N 2.73Å; R1269-S1271 PolarHBondContact O-N 3.16Å |
| 1270 | P | 55.2 | Low | 54.5 | Low | 65 Ų | 65 | 71.2 Ų | 71.2 | 42% | 0.422 | 38% | 0.382 | S | S | . | . | trans | -47.8 | 142.1 | 179.7 | -26.6 | 32.7 | 0 | 0 | 0 | 111.8 | C1274 | P1270-C1274 HydrophobicContact CB-CB 4.44Š| ||
| 1271 | S | 59.5 | Low | 52.8 | Low | 3 Ų | 3 | 75.9 Ų | 75.9 | 2% | 0.021 | 42% | 0.415 | C | S | . | . | trans | -50.1 | 145.3 | 173.6 | 174.7 | 0 | 0 | 0 | 0 | 110.1 | R1269 M1273 C1274 D1379 | R1269-S1271 PolarHBondContact O-N 3.16Å; S1271-M1273 PolarHBondContact O-N 3.1Å; S1271-C1274 PolarHBondContact O-N 3.12Å; S1271-D1379 WeakPolarHBondContact CB-OD2 3.33Å; S1271-D1379 PolarHBondContact OG-OD2 2.84Å | ||
| 1272 | A | 58 | Low | 51.1 | Low | 75 Ų | 75 | 78.8 Ų | 78.8 | 62% | 0.62 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -57.3 | -23 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | C1274 T1275 | A1272-C1274 VanDerWaalsContact C-N 3.34Å; A1272-T1275 PolarHBondContact O-OG1 3.46Å |
| 1273 | M | 58.2 | Low | 49.7 | Very low | 30 Ų | 30 | 83 Ų | 83 | 15% | 0.148 | 46% | 0.459 | C | S | . | . | G | 310 helix | trans | -70.1 | -24.7 | 173.4 | 177.3 | 178.1 | 168.1 | 0 | 0 | 114 | Y1144 S1271 C1365 P1368 G1372 I1376 | Y1144-M1273 WeakPolarHBondContact O-CE 3.47Å; S1271-M1273 PolarHBondContact O-N 3.1Å; M1273-C1365 HydrophobicContact CE-CB 4.04Å; M1273-C1365 WeakPolarHBondContact CE-SG 2.93Å; M1273-P1368 HydrophobicContact CE-CB 3.62Å; M1273-G1372 VanDerWaalsContact SD-C 3.57Å; M1273-G1372 WeakPolarHBondContact SD-CA 3.11Å; M1273-I1376 HydrophobicContact CE-CD1 3.76Å; M1273-I1376 HydrophobicContact SD-CD1 3.59Å; M1273-I1376 VanDerWaalsContact SD-CD1 3.59Å; M1273-I1376 HydrophobicContact SD-CG1 3.79Å |
| 1274 | C | 57.3 | Low | 48 | Very low | 11 Ų | 11 | 87.6 Ų | 87.6 | 7% | 0.074 | 49% | 0.489 | C | S | . | . | G | 310 helix | trans | -96.7 | 6 | -168.4 | -53.6 | 0 | 0 | 0 | 0 | 113.8 | P1270 S1271 A1272 L1276 C1362 | P1270-C1274 HydrophobicContact CB-CB 4.44Å; S1271-C1274 PolarHBondContact O-N 3.12Å; A1272-C1274 VanDerWaalsContact C-N 3.34Å; C1274-L1276 PolarHBondContact O-N 2.82Å; C1274-L1276 VanDerWaalsContact O-N 3.14Å; C1274-C1362 WeakPolarHBondContact CA-SG 3.41Å; C1274-C1362 HydrophobicContact CB-CB 4.17Å; C1274-C1362 WeakPolarHBondContact CB-SG 3.33Å; C1274-C1362 VanDerWaalsContact SG-CA 3.53Å; C1274-C1362 WeakPolarHBondContact SG-CB 3.4Å; C1274-C1362 CovalentContact SG-SG 2.04Å; C1274-C1362 PolarHBondContact SG-SG 3.27Å |
| 1275 | T | 54.1 | Low | 46.2 | Very low | 103 Ų | 103 | 97.3 Ų | 97.3 | 63% | 0.632 | 53% | 0.532 | S | S | * | . | trans | -77.9 | 95.5 | 176.3 | 49.1 | 0 | 0 | 0 | 0 | 111.5 | A1272 I1277 | A1272-T1275 PolarHBondContact O-OG1 3.46Å; T1275-I1277 PolarHBondContact O-N 3.44Å | ||
| 1276 | L | 44.2 | Very low | 44.8 | Very low | 94 Ų | 94 | 99.5 Ų | 99.5 | 49% | 0.492 | 55% | 0.548 | S | S | . | . | trans | -63.9 | 114.9 | -174.9 | -154.2 | 163.9 | 0 | 0 | 0 | 111.7 | C1274 H1278 | C1274-L1276 PolarHBondContact O-N 2.82Å; C1274-L1276 VanDerWaalsContact O-N 3.14Å; L1276-H1278 HydrophobicContact CD2-CB 4.03Å; L1276-H1278 PolarHBondContact O-N 3.27Å | ||
| 1277 | I | 42.1 | Very low | 43.2 | Very low | 114 Ų | 114 | 107.6 Ų | 107.6 | 59% | 0.585 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -56.5 | -24.4 | -169 | -68.7 | 174.1 | 0 | 0 | 0 | 114.2 | T1275 S1279 | T1275-I1277 PolarHBondContact O-N 3.44Å; I1277-S1279 PolarHBondContact O-N 3.13Å |
| 1278 | H | 31.5 | Very low | 41.3 | Very low | 175 Ų | 175 | 113.9 Ų | 113.9 | 81% | 0.81 | 61% | 0.612 | S | S | * | * | trans | -81.4 | 50.6 | 179.9 | -86.9 | -67.5 | 0 | 0 | 0 | 115.1 | L1276 | L1276-H1278 HydrophobicContact CD2-CB 4.03Å; L1276-H1278 PolarHBondContact O-N 3.27Å | ||
| 1279 | S | 31.6 | Very low | 39.8 | Very low | 90 Ų | 90 | 114.6 Ų | 114.6 | 63% | 0.629 | 63% | 0.627 | S | S | * | * | trans | -142.8 | 79.7 | 155.8 | 50 | 0 | 0 | 0 | 0 | 112.2 | I1277 S1281 | I1277-S1279 PolarHBondContact O-N 3.13Å; S1279-S1281 PolarHBondContact O-N 2.75Å | ||
| 1280 | I | 29 | Very low | 38.6 | Very low | 170 Ų | 170 | 111 Ų | 111 | 87% | 0.872 | 62% | 0.621 | S | S | * | * | trans | -73.6 | 80.7 | 170.9 | -54.9 | 177.1 | 0 | 0 | 0 | 109.1 | ||||
| 1281 | S | 30 | Very low | 37.8 | Very low | 98 Ų | 98 | 115.1 Ų | 115.1 | 69% | 0.685 | 63% | 0.628 | S | S | * | * | trans | -136.7 | 92.6 | 164.6 | 57.8 | 0 | 0 | 0 | 0 | 108.7 | S1279 E1283 | S1279-S1281 PolarHBondContact O-N 2.75Å; S1281-E1283 PolarHBondContact O-N 3.16Å; S1281-E1283 VanDerWaalsContact O-N 3.11Å | ||
| 1282 | S | 28.8 | Very low | 36.6 | Very low | 114 Ų | 114 | 123.9 Ų | 123.9 | 80% | 0.797 | 66% | 0.661 | S | S | * | * | trans | -74.4 | 97.1 | -172.7 | 56.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1283 | E | 31.4 | Very low | 35.4 | Very low | 182 Ų | 182 | 130.4 Ų | 130.4 | 85% | 0.85 | 67% | 0.67 | S | S | * | * | trans | -111 | 127.7 | 152.8 | -68.6 | -161.5 | 163.9 | 0 | 0 | 109.5 | S1281 F1285 | S1281-E1283 PolarHBondContact O-N 3.16Å; S1281-E1283 VanDerWaalsContact O-N 3.11Å; E1283-F1285 PolarHBondContact O-N 2.88Å | ||
| 1284 | T | 28.6 | Very low | 34.3 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 85% | 0.853 | 70% | 0.699 | S | S | * | * | trans | -80.7 | 101.4 | -161.1 | 49.7 | 0 | 0 | 0 | 0 | 112.7 | S1286 | T1284-S1286 PolarHBondContact O-N 3.06Š| ||
| 1285 | F | 27.9 | Very low | 33.4 | Very low | 204 Ų | 204 | 141.3 Ų | 141.3 | 90% | 0.895 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 129 | 158.1 | -79.5 | -85 | 0 | 0 | 0 | 110 | E1283 | E1283-F1285 PolarHBondContact O-N 2.88Š|
| 1286 | S | 29.6 | Very low | 32.6 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 144 | -179.2 | 47.6 | 0 | 0 | 0 | 0 | 111.5 | T1284 I1288 | T1284-S1286 PolarHBondContact O-N 3.06Å; S1286-I1288 PolarHBondContact O-N 2.81Å; S1286-I1288 VanDerWaalsContact O-N 3.15Å |
| 1287 | K | 28.1 | Very low | 32.2 | Very low | 198 Ų | 198 | 140.6 Ų | 140.6 | 86% | 0.861 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 117.8 | -174.1 | -66.6 | -175.2 | 176.4 | -174.1 | 0 | 111.8 | S1289 | K1287-S1289 PolarHBondContact O-N 3.39Å; K1287-S1289 VanDerWaalsContact O-N 3.11Å; K1287-S1289 PolarHBondContact O-OG 2.94Å |
| 1288 | I | 26.4 | Very low | 31.8 | Very low | 152 Ų | 152 | 142.6 Ų | 142.6 | 78% | 0.779 | 72% | 0.722 | S | S | * | * | trans | -73.3 | 102 | -177.5 | -61.6 | 164.3 | 0 | 0 | 0 | 109 | S1286 | S1286-I1288 PolarHBondContact O-N 2.81Å; S1286-I1288 VanDerWaalsContact O-N 3.15Å | ||
| 1289 | S | 28.6 | Very low | 32.1 | Very low | 101 Ų | 101 | 144.5 Ų | 144.5 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | trans | -156 | 61.3 | -175.2 | 51.7 | 0 | 0 | 0 | 0 | 114.6 | K1287 | K1287-S1289 PolarHBondContact O-N 3.39Å; K1287-S1289 VanDerWaalsContact O-N 3.11Å; K1287-S1289 PolarHBondContact O-OG 2.94Å | ||
| 1290 | D | 30.3 | Very low | 32.2 | Very low | 105 Ų | 105 | 145.3 Ų | 145.3 | 56% | 0.561 | 72% | 0.718 | S | S | * | * | trans | -162.5 | 127.2 | 147.8 | -138.7 | -45.2 | 0 | 0 | 0 | 112.9 | R1292 | D1290-R1292 WeakPolarHBondContact OD1-CB 3.48Å; D1290-R1292 WeakPolarHBondContact OD1-CG 3.15Å; D1290-R1292 IonicContact OD1-CZ 3.49Å; D1290-R1292 PolarHBondContact OD1-N 3.16Å; D1290-R1292 VanDerWaalsContact OD1-N 3.08Å; D1290-R1292 IonicContact OD1-NE 2.71Å; D1290-R1292 PolarHBondContact OD1-NE 2.99Å; D1290-R1292 IonicContact OD1-NH2 3.26Å; D1290-R1292 IonicContact OD2-CZ 3.91Å; D1290-R1292 IonicContact OD2-NE 2.77Å; D1290-R1292 PolarHBondContact OD2-NE 3.5Å; D1290-R1292 IonicContact OD2-NH2 3.83Å; D1290-R1292 PolarHBondContact OD2-NH2 2.93Å | ||
| 1291 | R | 38.5 | Very low | 32.2 | Very low | 151 Ų | 151 | 145.5 Ų | 145.5 | 57% | 0.57 | 72% | 0.715 | S | S | * | * | trans | -89.3 | -7 | 171.8 | -106.9 | -177.9 | 171.6 | -169.2 | -6.3 | 112 | D940 E968 R1293 | D940-R1291 PolarHBondContact O-NH1 2.79Å; E968-R1291 IonicContact OE1-NH2 3.19Å; E968-R1291 PolarHBondContact OE1-NH2 3.29Å; E968-R1291 VanDerWaalsContact OE1-NH2 3.16Å; E968-R1291 IonicContact OE2-CZ 2.9Å; E968-R1291 IonicContact OE2-NH1 3.95Å; E968-R1291 PolarHBondContact OE2-NH1 2.82Å; E968-R1291 IonicContact OE2-NH2 2.74Å; E968-R1291 PolarHBondContact OE2-NH2 3.49Å; R1291-R1293 PolarHBondContact O-N 3.43Å; R1291-R1293 VanDerWaalsContact O-N 3.13Å | ||
| 1292 | R | 34.2 | Very low | 32.3 | Very low | 188 Ų | 188 | 150.7 Ų | 150.7 | 71% | 0.709 | 72% | 0.721 | S | S | * | * | trans | -81.6 | 24.7 | -160.8 | -66.2 | 178.4 | -69.8 | -164.6 | -4 | 118.9 | D1290 | D1290-R1292 WeakPolarHBondContact OD1-CB 3.48Å; D1290-R1292 WeakPolarHBondContact OD1-CG 3.15Å; D1290-R1292 IonicContact OD1-CZ 3.49Å; D1290-R1292 PolarHBondContact OD1-N 3.16Å; D1290-R1292 VanDerWaalsContact OD1-N 3.08Å; D1290-R1292 IonicContact OD1-NE 2.71Å; D1290-R1292 PolarHBondContact OD1-NE 2.99Å; D1290-R1292 IonicContact OD1-NH2 3.26Å; D1290-R1292 IonicContact OD2-CZ 3.91Å; D1290-R1292 IonicContact OD2-NE 2.77Å; D1290-R1292 PolarHBondContact OD2-NE 3.5Å; D1290-R1292 IonicContact OD2-NH2 3.83Å; D1290-R1292 PolarHBondContact OD2-NH2 2.93Å | ||
| 1293 | R | 32.1 | Very low | 32.6 | Very low | 211 Ų | 211 | 150.6 Ų | 150.6 | 80% | 0.796 | 72% | 0.716 | S | S | * | * | trans | -92.8 | 132.8 | 172.5 | -84.2 | -167.8 | 175.7 | 140.8 | 5 | 112.7 | R1291 D1297 | R1291-R1293 PolarHBondContact O-N 3.43Å; R1291-R1293 VanDerWaalsContact O-N 3.13Å; R1293-D1297 IonicContact NE-OD2 2.82Å | ||
| 1294 | R | 35.8 | Very low | 32.7 | Very low | 202 Ų | 202 | 148.1 Ų | 148.1 | 76% | 0.762 | 71% | 0.708 | S | S | * | * | trans | -68.8 | 151.3 | 176.2 | -68.2 | 177.5 | 176 | 167.1 | -2.6 | 110.7 | S1296 D1297 | R1294-S1296 PolarHBondContact O-N 2.76Å; R1294-D1297 PolarHBondContact O-N 2.83Å | ||
| 1295 | P | 38 | Very low | 33.3 | Very low | 69 Ų | 69 | 144.1 Ų | 144.1 | 45% | 0.448 | 69% | 0.685 | S | S | . | * | G | 310 helix | trans | -59.1 | -9.2 | 174.2 | -26.9 | 36 | 0 | 0 | 0 | 116.1 | D1297 F1298 | P1295-D1297 PolarHBondContact O-N 3.32Å; P1295-F1298 HydrophobicContact CB-CD2 4.48Å; P1295-F1298 WeakPolarHBondContact O-CB 3.33Å; P1295-F1298 PolarHBondContact O-N 3.4Å |
| 1296 | S | 38.3 | Very low | 33.9 | Very low | 99 Ų | 99 | 141.5 Ų | 141.5 | 69% | 0.692 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -62.1 | -22.8 | 167.6 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | R1294 | R1294-S1296 PolarHBondContact O-N 2.76Š|
| 1297 | D | 34.5 | Very low | 34.6 | Very low | 82 Ų | 82 | 145.3 Ų | 145.3 | 44% | 0.439 | 68% | 0.678 | S | S | . | * | G | 310 helix | trans | -100.8 | 21.6 | 179.9 | -71.8 | -8.6 | 0 | 0 | 0 | 112.8 | R1293 R1294 P1295 R1299 | R1293-D1297 IonicContact NE-OD2 2.82Å; R1294-D1297 PolarHBondContact O-N 2.83Å; P1295-D1297 PolarHBondContact O-N 3.32Å; D1297-R1299 PolarHBondContact O-N 2.99Å |
| 1298 | F | 35.2 | Very low | 35.3 | Very low | 156 Ų | 156 | 144 Ų | 144 | 68% | 0.684 | 67% | 0.673 | S | S | * | * | trans | -72 | 63.7 | -179.4 | -134.4 | -80.9 | 0 | 0 | 0 | 112.6 | P1295 I1300 | P1295-F1298 HydrophobicContact CB-CD2 4.48Å; P1295-F1298 WeakPolarHBondContact O-CB 3.33Å; P1295-F1298 PolarHBondContact O-N 3.4Å; F1298-I1300 PolarHBondContact O-N 3.09Å | ||
| 1299 | R | 36.2 | Very low | 36.6 | Very low | 216 Ų | 216 | 141 Ų | 141 | 82% | 0.815 | 66% | 0.661 | S | S | * | * | trans | -87.7 | 103.1 | -179.9 | -65.7 | -175.4 | 179.7 | -165.6 | -1.5 | 110.4 | D1297 Q1301 | D1297-R1299 PolarHBondContact O-N 2.99Å; R1299-Q1301 PolarHBondContact O-N 3.48Å; R1299-Q1301 VanDerWaalsContact O-N 3.09Å | ||
| 1300 | I | 34.2 | Very low | 38.3 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 55% | 0.549 | 63% | 0.631 | S | S | . | * | trans | -64.4 | 107.6 | 173.8 | -57.6 | 174.4 | 0 | 0 | 0 | 108.8 | F1298 Y1302 | F1298-I1300 PolarHBondContact O-N 3.09Å; I1300-Y1302 HydrophobicContact CB-CE2 4.4Å; I1300-Y1302 HydrophobicContact CG2-CD2 4.18Å; I1300-Y1302 HydrophobicContact CG2-CE2 3.81Å | ||
| 1301 | Q | 30.4 | Very low | 40.2 | Very low | 173 Ų | 173 | 138.3 Ų | 138.3 | 81% | 0.808 | 63% | 0.633 | S | S | * | * | trans | -96 | 114.8 | 170.1 | -77 | -167.6 | -49 | 0 | 0 | 110 | R1299 | R1299-Q1301 PolarHBondContact O-N 3.48Å; R1299-Q1301 VanDerWaalsContact O-N 3.09Å | ||
| 1302 | Y | 31.7 | Very low | 42 | Very low | 207 Ų | 207 | 133.1 Ų | 133.1 | 81% | 0.812 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 126.6 | -178.9 | -67.1 | -103.6 | 0 | 0 | 0 | 110.8 | I1300 | I1300-Y1302 HydrophobicContact CB-CE2 4.4Å; I1300-Y1302 HydrophobicContact CG2-CD2 4.18Å; I1300-Y1302 HydrophobicContact CG2-CE2 3.81Å |
| 1303 | V | 33.7 | Very low | 43.9 | Very low | 113 Ų | 113 | 124.1 Ų | 124.1 | 69% | 0.685 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 129.1 | 169.8 | -178.8 | 0 | 0 | 0 | 0 | 108.1 | ||
| 1304 | N | 35.1 | Very low | 46 | Very low | 129 Ų | 129 | 115.4 Ų | 115.4 | 69% | 0.69 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -75.4 | 119.6 | -169.1 | -168.5 | -14.2 | 0 | 0 | 0 | 111.8 | Q1306 | N1304-Q1306 PolarHBondContact O-N 2.76Š|
| 1305 | P | 40.2 | Very low | 48 | Very low | 56 Ų | 56 | 106.5 Ų | 106.5 | 36% | 0.364 | 52% | 0.517 | S | S | . | . | trans | -75.2 | -20 | -164.1 | -20.1 | 33.5 | 0 | 0 | 0 | 117.5 | K1307 | P1305-K1307 VanDerWaalsContact C-N 3.25Å; P1305-K1307 PolarHBondContact O-N 2.89Å | ||
| 1306 | Q | 40.2 | Very low | 50.1 | Low | 148 Ų | 148 | 103.2 Ų | 103.2 | 69% | 0.692 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | 5.9 | -148.2 | -66.3 | -173.5 | -28 | 0 | 0 | 118.8 | N1304 | N1304-Q1306 PolarHBondContact O-N 2.76Š|
| 1307 | K | 44.5 | Very low | 52.1 | Low | 189 Ų | 189 | 98.5 Ų | 98.5 | 82% | 0.822 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | -13.8 | -165.2 | -126.8 | 179.5 | -176.1 | -178.3 | 0 | 118.1 | P1305 | P1305-K1307 VanDerWaalsContact C-N 3.25Å; P1305-K1307 PolarHBondContact O-N 2.89Å |
| 1308 | F | 44 | Very low | 54.2 | Low | 169 Ų | 169 | 95 Ų | 95 | 74% | 0.741 | 44% | 0.444 | S | S | * | . | trans | -138.5 | 105.8 | 171.6 | -72.2 | -84.6 | 0 | 0 | 0 | 109.5 | L1230 | L1230-F1308 HydrophobicContact CD1-CB 3.59Å; L1230-F1308 HydrophobicContact CD1-CG 4.14Å | ||
| 1309 | T | 53.6 | Low | 56.5 | Low | 89 Ų | 89 | 87.6 Ų | 87.6 | 55% | 0.546 | 41% | 0.412 | S | S | . | . | trans | -102.5 | 119.8 | 175.6 | 46.3 | 0 | 0 | 0 | 0 | 110.1 | K1311 | T1309-K1311 VanDerWaalsContact C-N 3.26Å; T1309-K1311 PolarHBondContact O-N 3.32Å | ||
| 1310 | N | 63.3 | Low | 58.7 | Low | 11 Ų | 11 | 77.3 Ų | 77.3 | 6% | 0.059 | 37% | 0.373 | C | S | . | . | trans | -69.3 | 77 | 178.4 | -75 | 7.1 | 0 | 0 | 0 | 111.1 | D1228 L1230 F1312 A1313 K1314 T1360 | D1228-N1310 HydrophobicContact CB-CB 4.47Å; D1228-N1310 VanDerWaalsContact OD2-C 3.25Å; D1228-N1310 WeakPolarHBondContact OD2-CA 3.29Å; D1228-N1310 VanDerWaalsContact OD2-CB 3.28Å; D1228-N1310 WeakPolarHBondContact OD2-CB 3.07Å; L1230-N1310 PolarHBondContact O-ND2 2.99Å; N1310-F1312 VanDerWaalsContact C-N 3.29Å; N1310-F1312 PolarHBondContact O-N 2.88Å; N1310-A1313 HydrophobicContact CB-CB 3.76Å; N1310-A1313 PolarHBondContact O-N 2.81Å; N1310-K1314 WeakPolarHBondContact O-CG 3.17Å; N1310-K1314 PolarHBondContact O-N 3.2Å; N1310-T1360 PolarHBondContact ND2-OG1 2.81Å | ||
| 1311 | K | 69.7 | Low | 60.8 | Low | 140 Ų | 140 | 72.2 Ų | 72.2 | 61% | 0.609 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -59.8 | -37.5 | -173 | -71.4 | -172.5 | 178.4 | -174.9 | 0 | 112.9 | T1309 K1314 S1315 | T1309-K1311 VanDerWaalsContact C-N 3.26Å; T1309-K1311 PolarHBondContact O-N 3.32Å; K1311-K1314 PolarHBondContact O-N 2.99Å; K1311-S1315 PolarHBondContact O-N 3.11Å; K1311-S1315 PolarHBondContact O-OG 3.11Å; K1311-S1315 VanDerWaalsContact O-OG 3.11Å |
| 1312 | F | 76.3 | Confident | 62.9 | Low | 41 Ų | 41 | 64.2 Ų | 64.2 | 18% | 0.18 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.7 | -47.8 | 178.8 | 177.9 | -93.7 | 0 | 0 | 0 | 110.2 | H1070 W1171 I1175 P1226 T1227 D1228 N1310 K1314 S1315 A1316 | H1070-F1312 AromaticContact CE1-CZ 3.72Å; W1171-F1312 HydrophobicContact CB-CE2 4.31Å; W1171-F1312 HydrophobicContact CB-CZ 3.79Å; W1171-F1312 AromaticContact CG-CZ 3.95Å; W1171-F1312 HydrophobicContact CG-CZ 3.95Å; I1175-F1312 HydrophobicContact CD1-CD2 4.28Å; I1175-F1312 HydrophobicContact CD1-CE2 3.91Å; P1226-F1312 HydrophobicContact CB-CE1 4.35Å; T1227-F1312 WeakPolarHBondContact O-CD1 3.34Å; D1228-F1312 HydrophobicContact CB-CD1 4.45Å; D1228-F1312 WeakPolarHBondContact OD2-CB 3.49Å; D1228-F1312 PolarHBondContact OD2-N 2.96Å; N1310-F1312 VanDerWaalsContact C-N 3.29Å; N1310-F1312 PolarHBondContact O-N 2.88Å; F1312-K1314 PolarHBondContact O-N 3.34Å; F1312-K1314 VanDerWaalsContact O-N 3.07Å; F1312-S1315 PolarHBondContact O-N 3.22Å; F1312-S1315 VanDerWaalsContact O-N 3.14Å; F1312-S1315 PolarHBondContact O-OG 3.41Å; F1312-A1316 HydrophobicContact CD1-CB 4.29Å; F1312-A1316 HydrophobicContact CE1-CB 3.97Å; F1312-A1316 HydrophobicContact CE2-CB 4.36Å; F1312-A1316 HydrophobicContact CZ-CB 4.01Å; F1312-A1316 WeakPolarHBondContact O-CB 3.38Å; F1312-A1316 PolarHBondContact O-N 3.46Å |
| 1313 | A | 74.6 | Confident | 65.1 | Low | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.5 | -28 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | P1226 D1228 N1234 N1310 A1317 T1360 | P1226-A1313 HydrophobicContact CG-CB 3.77Å; D1228-A1313 HydrophobicContact CB-CB 3.79Å; D1228-A1313 PolarHBondContact OD2-N 3.13Å; N1234-A1313 HydrophobicContact CB-CB 4.3Å; N1310-A1313 HydrophobicContact CB-CB 3.76Å; N1310-A1313 PolarHBondContact O-N 2.81Å; A1313-A1317 WeakPolarHBondContact O-CB 3.2Å; A1313-A1317 PolarHBondContact O-N 3.06Å; A1313-T1360 HydrophobicContact CB-CG2 3.43Å; A1313-T1360 VanDerWaalsContact CB-CG2 3.43Å |
| 1314 | K | 75.8 | Confident | 67.1 | Low | 28 Ų | 28 | 49 Ų | 49 | 12% | 0.122 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -84 | -38.3 | 175 | -72.2 | -149.9 | -175.9 | -172.9 | 0 | 114.9 | N1234 Y1235 E1236 N1310 K1311 F1312 A1317 L1318 | N1234-K1314 HydrophobicContact CB-CG 4.12Å; Y1235-K1314 WeakPolarHBondContact O-CD 3.45Å; Y1235-K1314 WeakPolarHBondContact O-CG 3.3Å; E1236-K1314 HydrophobicContact CB-CB 4.33Å; E1236-K1314 HydrophobicContact CB-CD 4.35Å; E1236-K1314 VanDerWaalsContact CD-NZ 3.34Å; E1236-K1314 HydrophobicContact CG-CB 4.48Å; E1236-K1314 HydrophobicContact CG-CD 4.28Å; E1236-K1314 WeakPolarHBondContact OE1-CD 3.47Å; E1236-K1314 IonicContact OE1-NZ 3.19Å; E1236-K1314 PolarHBondContact OE1-NZ 3.01Å; E1236-K1314 WeakPolarHBondContact OE2-CD 3.44Å; E1236-K1314 IonicContact OE2-NZ 3.74Å; E1236-K1314 PolarHBondContact OE2-NZ 3.23Å; N1310-K1314 WeakPolarHBondContact O-CG 3.17Å; N1310-K1314 PolarHBondContact O-N 3.2Å; K1311-K1314 PolarHBondContact O-N 2.99Å; F1312-K1314 PolarHBondContact O-N 3.34Å; F1312-K1314 VanDerWaalsContact O-N 3.07Å; K1314-A1317 WeakPolarHBondContact O-CB 3.48Å; K1314-L1318 PolarHBondContact O-N 3.48Å |
| 1315 | S | 78.9 | Confident | 68.7 | Low | 14 Ų | 14 | 43 Ų | 43 | 10% | 0.098 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -82.1 | -42.9 | -179.4 | 61.5 | 0 | 0 | 0 | 0 | 112.4 | S1180 K1311 F1312 A1317 L1318 S1319 | S1180-S1315 PolarHBondContact OG-O 3.45Å; K1311-S1315 PolarHBondContact O-N 3.11Å; K1311-S1315 PolarHBondContact O-OG 3.11Å; K1311-S1315 VanDerWaalsContact O-OG 3.11Å; F1312-S1315 PolarHBondContact O-N 3.22Å; F1312-S1315 VanDerWaalsContact O-N 3.14Å; F1312-S1315 PolarHBondContact O-OG 3.41Å; S1315-A1317 PolarHBondContact O-N 2.04Å; S1315-L1318 PolarHBondContact O-N 2.96Å; S1315-S1319 WeakPolarHBondContact O-CB 3.49Å; S1315-S1319 PolarHBondContact O-N 3.3Å |
| 1316 | A | 81.9 | Confident | 69.9 | Low | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -53.2 | -40.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | W1171 I1175 P1226 F1312 S1319 | W1171-A1316 HydrophobicContact CD2-CB 3.99Å; W1171-A1316 HydrophobicContact CE3-CB 3.68Å; W1171-A1316 HydrophobicContact CH2-CB 4.37Å; W1171-A1316 HydrophobicContact CZ3-CB 3.89Å; W1171-A1316 WeakPolarHBondContact CZ3-O 3.32Å; I1175-A1316 HydrophobicContact CD1-CB 4.06Å; P1226-A1316 HydrophobicContact CB-CB 4.17Å; F1312-A1316 HydrophobicContact CD1-CB 4.29Å; F1312-A1316 HydrophobicContact CE1-CB 3.97Å; F1312-A1316 HydrophobicContact CE2-CB 4.36Å; F1312-A1316 HydrophobicContact CZ-CB 4.01Å; F1312-A1316 WeakPolarHBondContact O-CB 3.38Å; F1312-A1316 PolarHBondContact O-N 3.46Å; A1316-S1319 PolarHBondContact O-OG 3.08Å |
| 1317 | A | 80.3 | Confident | 70.7 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60 | -69.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1313 K1314 S1315 S1319 L1320 S1356 V1599 | A1313-A1317 WeakPolarHBondContact O-CB 3.2Å; A1313-A1317 PolarHBondContact O-N 3.06Å; K1314-A1317 WeakPolarHBondContact O-CB 3.48Å; S1315-A1317 PolarHBondContact O-N 2.04Å; A1317-S1319 PolarHBondContact O-N 3.16Å; A1317-L1320 PolarHBondContact O-N 2.81Å; A1317-S1356 VanDerWaalsContact CB-O 3.26Å; A1317-S1356 WeakPolarHBondContact CB-O 3.35Å; A1317-V1599 HydrophobicContact CB-CG1 3.36Å; A1317-V1599 WeakPolarHBondContact O-CG1 3.45Å |
| 1318 | L | 78.8 | Confident | 71.2 | Confident | 10 Ų | 10 | 28.1 Ų | 28.1 | 5% | 0.052 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -47.9 | -29.9 | -178.5 | -173.5 | 59.2 | 0 | 0 | 0 | 114 | E1236 K1314 S1315 L1320 L1322 | E1236-L1318 HydrophobicContact CB-CB 4.3Å; E1236-L1318 HydrophobicContact CG-CD2 4.33Å; K1314-L1318 PolarHBondContact O-N 3.48Å; S1315-L1318 PolarHBondContact O-N 2.96Å; L1318-L1320 PolarHBondContact O-N 3.32Å; L1318-L1322 HydrophobicContact CD1-CD1 4.25Å; L1318-L1322 HydrophobicContact CD1-CG 4.27Å; L1318-L1322 HydrophobicContact CD2-CD1 4.42Å; L1318-L1322 HydrophobicContact CG-CD1 3.8Å; L1318-L1322 HydrophobicContact CG-CG 4.3Å; L1318-L1322 WeakPolarHBondContact O-CB 3.29Å; L1318-L1322 WeakPolarHBondContact O-CG 3.38Å; L1318-L1322 PolarHBondContact O-N 2.83Å |
| 1319 | S | 82.4 | Confident | 71.6 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57 | -34.8 | 175.8 | 85.3 | 0 | 0 | 0 | 0 | 115.8 | T1178 S1180 S1315 A1316 A1317 A1323 | T1178-S1319 WeakPolarHBondContact CG2-O 3.04Å; S1180-S1319 VanDerWaalsContact OG-CB 3.29Å; S1180-S1319 WeakPolarHBondContact OG-CB 3.35Å; S1315-S1319 WeakPolarHBondContact O-CB 3.49Å; S1315-S1319 PolarHBondContact O-N 3.3Å; A1316-S1319 PolarHBondContact O-OG 3.08Å; A1317-S1319 PolarHBondContact O-N 3.16Å; S1319-A1323 VanDerWaalsContact O-CB 3.31Å; S1319-A1323 WeakPolarHBondContact O-CB 3.08Å; S1319-A1323 PolarHBondContact O-N 3.14Å |
| 1320 | L | 83.9 | Confident | 71.6 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -82.3 | -40.3 | -173.4 | -75.7 | 170 | 0 | 0 | 0 | 113.4 | I1066 W1171 L1174 L1210 L1214 A1317 L1318 L1322 A1323 S1324 N1598 V1599 | I1066-L1320 HydrophobicContact CD1-CD1 4.17Å; W1171-L1320 HydrophobicContact CH2-CD1 3.44Å; W1171-L1320 VanDerWaalsContact CH2-CD1 3.44Å; W1171-L1320 HydrophobicContact CH2-CG 4.36Å; W1171-L1320 HydrophobicContact CZ3-CD1 3.45Å; W1171-L1320 VanDerWaalsContact CZ3-CD1 3.45Å; W1171-L1320 HydrophobicContact CZ3-CG 3.86Å; L1174-L1320 HydrophobicContact CD1-CD2 3.77Å; L1210-L1320 HydrophobicContact CD2-CD2 4.18Å; L1214-L1320 HydrophobicContact CD1-CD2 3.91Å; A1317-L1320 PolarHBondContact O-N 2.81Å; L1318-L1320 PolarHBondContact O-N 3.32Å; L1320-L1322 VanDerWaalsContact C-N 3.26Å; L1320-L1322 PolarHBondContact O-N 3.25Å; L1320-A1323 WeakPolarHBondContact O-CB 3.45Å; L1320-A1323 PolarHBondContact O-N 3.33Å; L1320-A1323 VanDerWaalsContact O-N 3.1Å; L1320-S1324 PolarHBondContact O-N 3Å; L1320-N1598 VanDerWaalsContact CB-O 3.24Å; L1320-N1598 WeakPolarHBondContact CB-O 3.21Å; L1320-N1598 HydrophobicContact CD1-CB 3.76Å; L1320-V1599 HydrophobicContact CB-CB 4.42Å; L1320-V1599 HydrophobicContact CB-CG2 4.35Å; L1320-V1599 HydrophobicContact CD1-CG2 3.93Å |
| 1321 | G | 77.7 | Confident | 70.9 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.3 | -42.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A1323 S1324 | G1321-A1323 VanDerWaalsContact C-N 3.32Å; G1321-A1323 PolarHBondContact O-N 3.18Å; G1321-S1324 PolarHBondContact O-N 3.23Å; G1321-S1324 PolarHBondContact O-OG 3.49Å |
| 1322 | L | 74.7 | Confident | 69.9 | Low | 4 Ų | 4 | 19.1 Ų | 19.1 | 2% | 0.021 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -69.2 | -23.5 | 175.1 | -67.8 | -179.9 | 0 | 0 | 0 | 114.8 | T1178 W1188 W1189 L1318 L1320 M1325 I1353 | T1178-L1322 HydrophobicContact CG2-CB 3.95Å; W1188-L1322 HydrophobicContact CE3-CD2 4.36Å; W1188-L1322 HydrophobicContact CH2-CD1 4.5Å; W1188-L1322 HydrophobicContact CH2-CD2 3.76Å; W1188-L1322 HydrophobicContact CZ3-CD1 3.78Å; W1188-L1322 HydrophobicContact CZ3-CD2 3.35Å; W1188-L1322 HydrophobicContact CZ3-CG 4.14Å; W1189-L1322 PolarHBondContact NE1-O 2.83Å; L1318-L1322 HydrophobicContact CD1-CD1 4.25Å; L1318-L1322 HydrophobicContact CD1-CG 4.27Å; L1318-L1322 HydrophobicContact CD2-CD1 4.42Å; L1318-L1322 HydrophobicContact CG-CD1 3.8Å; L1318-L1322 HydrophobicContact CG-CG 4.3Å; L1318-L1322 WeakPolarHBondContact O-CB 3.29Å; L1318-L1322 WeakPolarHBondContact O-CG 3.38Å; L1318-L1322 PolarHBondContact O-N 2.83Å; L1320-L1322 VanDerWaalsContact C-N 3.26Å; L1320-L1322 PolarHBondContact O-N 3.25Å; L1322-M1325 HydrophobicContact CD2-SD 3.95Å; L1322-I1353 HydrophobicContact CD2-CD1 3.56Å; L1322-I1353 HydrophobicContact CD2-CG1 3.84Å; L1322-I1353 HydrophobicContact CD2-CG2 3.96Å; L1322-I1353 HydrophobicContact CG-CG2 4.45Å |
| 1323 | A | 77.5 | Confident | 68.4 | Low | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -77.3 | -30 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1178 V1211 L1214 Q1215 S1319 L1320 G1321 M1325 | T1178-A1323 HydrophobicContact CG2-CB 4.4Å; V1211-A1323 HydrophobicContact CG2-CB 4.26Å; L1214-A1323 HydrophobicContact CD1-CB 4.21Å; Q1215-A1323 WeakPolarHBondContact CG-O 3.33Å; Q1215-A1323 PolarHBondContact NE2-O 2.78Å; S1319-A1323 VanDerWaalsContact O-CB 3.31Å; S1319-A1323 WeakPolarHBondContact O-CB 3.08Å; S1319-A1323 PolarHBondContact O-N 3.14Å; L1320-A1323 WeakPolarHBondContact O-CB 3.45Å; L1320-A1323 PolarHBondContact O-N 3.33Å; L1320-A1323 VanDerWaalsContact O-N 3.1Å; G1321-A1323 VanDerWaalsContact C-N 3.32Å; G1321-A1323 PolarHBondContact O-N 3.18Å; A1323-M1325 PolarHBondContact O-N 3.01Å |
| 1324 | S | 75.1 | Confident | 67.1 | Low | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -70.7 | -14.6 | 176.6 | 75.3 | 0 | 0 | 0 | 0 | 115.1 | Q1215 L1320 G1321 P1354 Y1586 | Q1215-S1324 WeakPolarHBondContact CG-O 3.43Å; L1320-S1324 PolarHBondContact O-N 3Å; G1321-S1324 PolarHBondContact O-N 3.23Å; G1321-S1324 PolarHBondContact O-OG 3.49Å; S1324-P1354 VanDerWaalsContact OG-CG 3.24Å; S1324-P1354 WeakPolarHBondContact OG-CG 3.21Å; S1324-Y1586 PolarHBondContact O-OH 2.72Å |
| 1325 | M | 68.6 | Low | 65.6 | Low | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.02 | 14% | 0.143 | C | C | . | . | trans | -73.9 | 124 | 172.1 | -56 | 179.8 | 82.2 | 0 | 0 | 109.8 | W1189 W1190 Q1215 L1322 A1323 P1350 I1353 Y1586 | W1189-M1325 VanDerWaalsContact CZ2-O 3.32Å; W1189-M1325 WeakPolarHBondContact CZ2-O 3.1Å; W1190-M1325 HydrophobicContact CH2-CB 4.25Å; W1190-M1325 HydrophobicContact CH2-CE 4.04Å; W1190-M1325 HydrophobicContact CH2-SD 3.71Å; W1190-M1325 HydrophobicContact CZ2-CE 4.38Å; W1190-M1325 HydrophobicContact CZ3-CB 4.02Å; W1190-M1325 HydrophobicContact CZ3-SD 4.29Å; Q1215-M1325 PolarHBondContact NE2-O 3.42Å; L1322-M1325 HydrophobicContact CD2-SD 3.95Å; A1323-M1325 PolarHBondContact O-N 3.01Å; M1325-P1350 HydrophobicContact CE-CB 4.01Å; M1325-P1350 HydrophobicContact CE-CG 4.25Å; M1325-P1350 WeakPolarHBondContact CE-O 3.09Å; M1325-I1353 HydrophobicContact SD-CG1 3.95Å; M1325-Y1586 HydrophobicContact CB-CD2 4.5Å; M1325-Y1586 HydrophobicContact CB-CE2 4.05Å; M1325-Y1586 HydrophobicContact CG-CE2 4.41Å | ||
| 1326 | N | 65.7 | Low | 64 | Low | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | trans | -97.2 | 165.8 | -174.1 | -175.1 | -50.4 | 0 | 0 | 0 | 112.3 | Q1215 K1328 Y1586 S1587 A1588 | Q1215-N1326 HydrophobicContact CB-CB 3.82Å; Q1215-N1326 HydrophobicContact CG-CB 3.73Å; Q1215-N1326 PolarHBondContact OE1-ND2 3.31Å; N1326-K1328 PolarHBondContact OD1-N 3.26Å; N1326-Y1586 HydrophobicContact CB-CD1 3.36Å; N1326-Y1586 HydrophobicContact CB-CE1 3.76Å; N1326-Y1586 HydrophobicContact CB-CG 3.75Å; N1326-Y1586 WeakPolarHBondContact O-CA 3.44Å; N1326-Y1586 WeakPolarHBondContact O-CB 3.29Å; N1326-Y1586 PolarHBondContact O-N 2.87Å; N1326-S1587 WeakPolarHBondContact OD1-CA 3.41Å; N1326-S1587 PolarHBondContact OD1-N 2.99Å; N1326-A1588 PolarHBondContact OD1-N 2.53Å | ||
| 1327 | P | 58.1 | Low | 62.3 | Low | 18 Ų | 18 | 41.1 Ų | 41.1 | 12% | 0.117 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -107.2 | 42.8 | 165.2 | 37.2 | -31 | 0 | 0 | 0 | 122.5 | W1189 W1190 L1196 L1331 E1585 | W1189-P1327 HydrophobicContact CH2-CG 3.92Å; W1189-P1327 HydrophobicContact CZ3-CG 4.01Å; W1190-P1327 HydrophobicContact CB-CB 4.1Å; L1196-P1327 HydrophobicContact CD1-CB 3.88Å; L1196-P1327 HydrophobicContact CD1-CG 3.3Å; L1196-P1327 HydrophobicContact CD2-CB 4.12Å; L1196-P1327 HydrophobicContact CD2-CG 4.4Å; L1196-P1327 HydrophobicContact CG-CG 4.49Å; P1327-L1331 HydrophobicContact CB-CG 4.3Å; P1327-E1585 CarbonylContact C-O 3.49Å; P1327-E1585 WeakPolarHBondContact CA-O 3.32Å |
| 1328 | K | 55.4 | Low | 60.2 | Low | 59 Ų | 59 | 45.3 Ų | 45.3 | 26% | 0.257 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -118.8 | 7.4 | 142.6 | -105.4 | -127.8 | 98.7 | -77 | 0 | 131.2 | N1326 E1332 E1585 Y1586 S1587 A1588 | N1326-K1328 PolarHBondContact OD1-N 3.26Å; K1328-E1332 IonicContact NZ-OE1 3.71Å; K1328-E1332 PolarHBondContact NZ-OE1 2.95Å; K1328-E1332 IonicContact NZ-OE2 2.68Å; K1328-E1585 VanDerWaalsContact C-CB 3.44Å; K1328-E1585 VanDerWaalsContact C-CG 3.49Å; K1328-E1585 VanDerWaalsContact CA-CB 3.45Å; K1328-E1585 HydrophobicContact CB-CG 4.09Å; K1328-E1585 HydrophobicContact CD-CG 4.29Å; K1328-E1585 WeakPolarHBondContact CE-OE2 3.48Å; K1328-E1585 HydrophobicContact CG-CG 3.74Å; K1328-E1585 WeakPolarHBondContact CG-OE2 3.46Å; K1328-E1585 PolarHBondContact N-O 2.9Å; K1328-E1585 VanDerWaalsContact N-O 3.11Å; K1328-E1585 IonicContact NZ-OE2 2.87Å; K1328-E1585 WeakPolarHBondContact O-CG 3.34Å; K1328-Y1586 CarbonylContact C-O 3.36Å; K1328-Y1586 VanDerWaalsContact CA-CA 3.47Å; K1328-S1587 VanDerWaalsContact C-N 3.3Å; K1328-S1587 VanDerWaalsContact C-OG 3.31Å; K1328-S1587 VanDerWaalsContact CB-N 3.26Å; K1328-S1587 WeakPolarHBondContact CB-O 2.92Å; K1328-S1587 PolarHBondContact O-OG 3.39Å; K1328-A1588 HydrophobicContact CB-CB 4.1Å; K1328-A1588 HydrophobicContact CG-CB 4.07Å |
| 1329 | L | 52.3 | Low | 58.2 | Low | 98 Ų | 98 | 49.1 Ų | 49.1 | 51% | 0.513 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -122.6 | 2.6 | 143.6 | -56.9 | -176.6 | 0 | 0 | 0 | 120.2 | E1332 K1584 E1585 Y1586 | L1329-E1332 VanDerWaalsContact CD2-OE2 3.31Å; L1329-E1332 WeakPolarHBondContact CD2-OE2 3.43Å; L1329-K1584 CarbonylContact C-O 2.62Å; L1329-K1584 CarbonylContact O-C 3.48Å; L1329-E1585 VanDerWaalsContact CA-C 3.47Å; L1329-E1585 PolarHBondContact O-N 3.49Å; L1329-E1585 VanDerWaalsContact O-N 3.1Å; L1329-Y1586 VanDerWaalsContact C-CB 3.44Å; L1329-Y1586 WeakPolarHBondContact CB-O 3.13Å; L1329-Y1586 PolarHBondContact N-O 2.68Å |
| 1330 | A | 51.8 | Low | 56 | Low | 3 Ų | 3 | 52.1 Ų | 52.1 | 3% | 0.025 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -111.1 | 72.7 | 143.1 | 0 | 0 | 0 | 0 | 0 | 125.4 | P1350 K1584 E1585 Y1586 | A1330-P1350 HydrophobicContact CB-CB 3.57Å; A1330-P1350 HydrophobicContact CB-CG 3.27Å; A1330-K1584 VanDerWaalsContact C-CA 3.42Å; A1330-K1584 HydrophobicContact CB-CB 4.1Å; A1330-K1584 VanDerWaalsContact N-C 3.35Å; A1330-E1585 CarbonylContact C-O 3.45Å; A1330-E1585 WeakPolarHBondContact CA-O 3.39Å; A1330-E1585 CarbonylContact O-C 3.43Å; A1330-Y1586 VanDerWaalsContact CA-N 3.34Å; A1330-Y1586 HydrophobicContact CB-CD2 4.26Å; A1330-Y1586 VanDerWaalsContact N-CA 3.32Å |
| 1331 | L | 49.7 | Very low | 53.5 | Low | 34 Ų | 34 | 56.8 Ų | 56.8 | 18% | 0.178 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -178.8 | -46.8 | -159 | 97.2 | 67.1 | 0 | 0 | 0 | 115.3 | W1190 L1196 P1327 D1583 K1584 E1585 | W1190-L1331 HydrophobicContact CB-CD2 3.84Å; W1190-L1331 WeakPolarHBondContact O-CD2 3.27Å; L1196-L1331 HydrophobicContact CD2-CD1 4.2Å; L1196-L1331 HydrophobicContact CD2-CD2 4.37Å; P1327-L1331 HydrophobicContact CB-CG 4.3Å; L1331-D1583 VanDerWaalsContact O-CG 3.24Å; L1331-D1583 VanDerWaalsContact O-OD1 3.13Å; L1331-K1584 HydrophobicContact CB-CB 4.42Å; L1331-K1584 HydrophobicContact CB-CD 4.34Å; L1331-K1584 HydrophobicContact CB-CG 3.43Å; L1331-K1584 VanDerWaalsContact CB-CG 3.43Å; L1331-K1584 PolarHBondContact O-NZ 3.04Å; L1331-E1585 VanDerWaalsContact C-CB 3.47Å; L1331-E1585 WeakPolarHBondContact CA-O 3.44Å; L1331-E1585 HydrophobicContact CB-CB 4.44Å; L1331-E1585 HydrophobicContact CD1-CB 4.23Å; L1331-E1585 PolarHBondContact N-O 2.81Å |
| 1332 | E | 48.6 | Very low | 51.5 | Low | 85 Ų | 85 | 59.6 Ų | 59.6 | 40% | 0.397 | 30% | 0.303 | S | S | . | . | trans | -88.9 | -43.4 | -148.6 | -152.7 | 155.8 | -145.3 | 0 | 0 | 121.6 | K1328 L1329 T1334 E1585 | K1328-E1332 IonicContact NZ-OE1 3.71Å; K1328-E1332 PolarHBondContact NZ-OE1 2.95Å; K1328-E1332 IonicContact NZ-OE2 2.68Å; L1329-E1332 VanDerWaalsContact CD2-OE2 3.31Å; L1329-E1332 WeakPolarHBondContact CD2-OE2 3.43Å; E1332-T1334 VanDerWaalsContact C-N 3.28Å; E1332-T1334 PolarHBondContact O-N 3.2Å; E1332-E1585 HydrophobicContact CB-CB 3.53Å; E1332-E1585 HydrophobicContact CB-CG 3.45Å; E1332-E1585 VanDerWaalsContact CB-CG 3.45Å; E1332-E1585 HydrophobicContact CG-CB 4.31Å; E1332-E1585 HydrophobicContact CG-CG 3.66Å | ||
| 1333 | E | 45.4 | Very low | 49.9 | Very low | 83 Ų | 83 | 67.8 Ų | 67.8 | 39% | 0.388 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -70 | -3.9 | -157.8 | -62.9 | 175.3 | 118.6 | 0 | 0 | 115 | F1337 S1582 D1583 K1584 | E1333-F1337 VanDerWaalsContact O-CB 3.28Å; E1333-F1337 WeakPolarHBondContact O-CB 3.07Å; E1333-S1582 VanDerWaalsContact CB-CA 3.43Å; E1333-S1582 WeakPolarHBondContact O-CA 3.31Å; E1333-S1582 WeakPolarHBondContact O-CB 3.4Å; E1333-S1582 PolarHBondContact OE2-N 3.23Å; E1333-D1583 VanDerWaalsContact CB-N 3.31Å; E1333-D1583 VanDerWaalsContact N-CA 3.33Å; E1333-K1584 WeakPolarHBondContact CG-O 3.17Å; E1333-K1584 PolarHBondContact OE2-N 3.11Å |
| 1334 | T | 46.4 | Very low | 48.3 | Very low | 22 Ų | 22 | 71.7 Ų | 71.7 | 14% | 0.135 | 37% | 0.373 | C | S | . | . | trans | -70.7 | -66 | -166.2 | 43.2 | 0 | 0 | 0 | 0 | 112.6 | E1332 H1336 F1337 Q1338 D1583 | E1332-T1334 VanDerWaalsContact C-N 3.28Å; E1332-T1334 PolarHBondContact O-N 3.2Å; T1334-H1336 PolarHBondContact O-N 3Å; T1334-F1337 PolarHBondContact O-N 3.27Å; T1334-Q1338 VanDerWaalsContact O-CG 3.25Å; T1334-Q1338 WeakPolarHBondContact O-CG 3.3Å; T1334-D1583 VanDerWaalsContact CA-N 3.32Å; T1334-D1583 WeakPolarHBondContact CA-OD1 3.43Å; T1334-D1583 WeakPolarHBondContact CB-OD1 3.45Å; T1334-D1583 HydrophobicContact CG2-CB 3.68Å; T1334-D1583 VanDerWaalsContact CG2-OD1 3.27Å; T1334-D1583 WeakPolarHBondContact CG2-OD1 3.41Å; T1334-D1583 PolarHBondContact N-OD1 2.93Å; T1334-D1583 VanDerWaalsContact OG1-CG 3.23Å; T1334-D1583 PolarHBondContact OG1-OD1 2.88Å | ||
| 1335 | E | 43.7 | Very low | 46.8 | Very low | 167 Ų | 167 | 76 Ų | 76 | 78% | 0.78 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -22.3 | -135.4 | -66.4 | -159 | 156.2 | 0 | 0 | 113.5 | ||
| 1336 | H | 46.8 | Very low | 45.4 | Very low | 153 Ų | 153 | 80 Ų | 80 | 71% | 0.708 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.5 | 5.7 | 176.5 | -59.4 | -8.1 | 0 | 0 | 0 | 114.2 | T1334 K1579 | T1334-H1336 PolarHBondContact O-N 3Å; H1336-K1579 PolarHBondContact O-NZ 2.97Å |
| 1337 | F | 44.7 | Very low | 44.2 | Very low | 120 Ų | 120 | 82.7 Ų | 82.7 | 53% | 0.526 | 44% | 0.438 | S | S | . | . | trans | -122.6 | 50.2 | -172.7 | -76.6 | -101 | 0 | 0 | 0 | 113.1 | E1333 T1334 K1579 S1582 | E1333-F1337 VanDerWaalsContact O-CB 3.28Å; E1333-F1337 WeakPolarHBondContact O-CB 3.07Å; T1334-F1337 PolarHBondContact O-N 3.27Å; F1337-K1579 VanDerWaalsContact C-CB 3.49Å; F1337-K1579 VanDerWaalsContact C-CG 3.46Å; F1337-K1579 HydrophobicContact CB-CD 4.22Å; F1337-K1579 HydrophobicContact CB-CG 3.78Å; F1337-K1579 HydrophobicContact CD1-CD 3.91Å; F1337-K1579 HydrophobicContact CD1-CG 3.75Å; F1337-K1579 HydrophobicContact CG-CD 4.32Å; F1337-K1579 HydrophobicContact CG-CG 4.18Å; F1337-K1579 VanDerWaalsContact O-CA 3.26Å; F1337-K1579 WeakPolarHBondContact O-CA 3.12Å; F1337-K1579 WeakPolarHBondContact O-CB 3.37Å; F1337-K1579 WeakPolarHBondContact O-CG 3.24Å; F1337-S1582 WeakPolarHBondContact O-CB 3.32Å | ||
| 1338 | Q | 36.6 | Very low | 43.5 | Very low | 87 Ų | 87 | 83.1 Ų | 83.1 | 41% | 0.407 | 44% | 0.441 | S | S | . | . | trans | -114.7 | 96.3 | -178.5 | -62.1 | -148.6 | 28.5 | 0 | 0 | 114.7 | T1334 Q1340 H1580 | T1334-Q1338 VanDerWaalsContact O-CG 3.25Å; T1334-Q1338 WeakPolarHBondContact O-CG 3.3Å; Q1338-Q1340 PolarHBondContact O-N 3.13Å; Q1338-Q1340 VanDerWaalsContact OE1-NE2 3.17Å; Q1338-H1580 WeakPolarHBondContact CA-ND1 3.44Å; Q1338-H1580 VanDerWaalsContact CB-ND1 3.32Å; Q1338-H1580 WeakPolarHBondContact CB-ND1 3.33Å | ||
| 1339 | L | 37.9 | Very low | 42.9 | Very low | 91 Ų | 91 | 82.5 Ų | 82.5 | 48% | 0.476 | 44% | 0.44 | S | S | . | . | trans | -92.6 | 40.7 | 162.8 | -148 | 172.4 | 0 | 0 | 0 | 107.6 | K1579 H1580 | L1339-K1579 HydrophobicContact CB-CB 3.64Å; L1339-K1579 WeakPolarHBondContact CB-O 3.34Å; L1339-H1580 VanDerWaalsContact C-N 3.29Å; L1339-H1580 VanDerWaalsContact N-N 3.13Å; L1339-H1580 PolarHBondContact O-CD2 3.03Å; L1339-H1580 VanDerWaalsContact O-CG 3.22Å; L1339-H1580 PolarHBondContact O-N 3.44Å | ||
| 1340 | Q | 34.4 | Very low | 42.7 | Very low | 62 Ų | 62 | 78.5 Ų | 78.5 | 29% | 0.29 | 42% | 0.42 | S | S | . | . | trans | -82.6 | 66.3 | -159 | -74 | -176.4 | 57.1 | 0 | 0 | 121.9 | Q1338 H1580 R1581 S1582 | Q1338-Q1340 PolarHBondContact O-N 3.13Å; Q1338-Q1340 VanDerWaalsContact OE1-NE2 3.17Å; Q1340-H1580 VanDerWaalsContact CA-CB 3.49Å; Q1340-H1580 WeakPolarHBondContact CA-CD2 3.33Å; Q1340-H1580 WeakPolarHBondContact CA-CE1 2.87Å; Q1340-H1580 WeakPolarHBondContact CA-ND1 2.83Å; Q1340-H1580 WeakPolarHBondContact CA-NE2 3.32Å; Q1340-H1580 HydrophobicContact CB-CB 4.17Å; Q1340-H1580 WeakPolarHBondContact CB-CE1 3.43Å; Q1340-H1580 WeakPolarHBondContact CB-ND1 2.82Å; Q1340-H1580 HydrophobicContact CG-CB 3.74Å; Q1340-H1580 WeakPolarHBondContact CG-ND1 3.21Å; Q1340-H1580 PolarHBondContact N-CD2 3.5Å; Q1340-H1580 PolarHBondContact N-CE1 3Å; Q1340-H1580 PolarHBondContact N-ND1 3.44Å; Q1340-H1580 PolarHBondContact N-NE2 3.42Å; Q1340-H1580 PolarHBondContact O-CE1 2.83Å; Q1340-H1580 PolarHBondContact O-NE2 3.18Å; Q1340-R1581 HydrophobicContact CG-CG 3.71Å; Q1340-S1582 PolarHBondContact NE2-OG 3Å | ||
| 1341 | S | 32.6 | Very low | 42.6 | Very low | 98 Ų | 98 | 82.3 Ų | 82.3 | 69% | 0.685 | 44% | 0.439 | S | S | * | . | trans | -167.8 | -20.9 | -157.8 | 57.2 | 0 | 0 | 0 | 0 | 112.1 | L1343 H1580 | S1341-L1343 PolarHBondContact O-N 2.84Å; S1341-H1580 WeakPolarHBondContact CB-NE2 3.43Å; S1341-H1580 PolarHBondContact N-CD2 2.98Å; S1341-H1580 PolarHBondContact N-NE2 2.86Å; S1341-H1580 PolarHBondContact OG-NE2 3.41Å | ||
| 1342 | S | 36.6 | Very low | 42.7 | Very low | 59 Ų | 59 | 83.6 Ų | 83.6 | 41% | 0.413 | 45% | 0.445 | S | S | . | . | trans | -62.8 | 87.8 | 148 | 54.6 | 0 | 0 | 0 | 0 | 108.7 | S1344 F1345 | S1342-S1344 PolarHBondContact O-N 2.7Å; S1342-F1345 PolarHBondContact O-N 2.77Å | ||
| 1343 | L | 39.8 | Very low | 43.2 | Very low | 177 Ų | 177 | 81 Ų | 81 | 93% | 0.927 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -6.8 | 177 | -85.9 | 161.9 | 0 | 0 | 0 | 114.2 | S1341 | S1341-L1343 PolarHBondContact O-N 2.84Š|
| 1344 | S | 44 | Very low | 44.2 | Very low | 82 Ų | 82 | 77.8 Ų | 77.8 | 57% | 0.573 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -19.1 | 178.2 | 49.8 | 0 | 0 | 0 | 0 | 115.2 | S1342 | S1342-S1344 PolarHBondContact O-N 2.7Š|
| 1345 | F | 43.6 | Very low | 45.3 | Very low | 90 Ų | 90 | 77.2 Ų | 77.2 | 40% | 0.395 | 42% | 0.416 | S | S | . | . | trans | -135.5 | 122 | -172.6 | -56.8 | -65.3 | 0 | 0 | 0 | 113.1 | S1342 E1428 R1581 | S1342-F1345 PolarHBondContact O-N 2.77Å; F1345-E1428 WeakPolarHBondContact CD1-OE1 3.22Å; F1345-R1581 PolarHBondContact O-NH1 2.72Å | ||
| 1346 | S | 39.3 | Very low | 46.9 | Very low | 87 Ų | 87 | 69.4 Ų | 69.4 | 61% | 0.608 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -74.9 | 172.1 | 177.3 | -82.4 | 0 | 0 | 0 | 0 | 112.7 | R1581 | S1346-R1581 VanDerWaalsContact C-CD 3.46Å; S1346-R1581 WeakPolarHBondContact O-CD 3.41Å |
| 1347 | P | 41.4 | Very low | 48.6 | Very low | 62 Ų | 62 | 62.2 Ų | 62.2 | 40% | 0.403 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 151.2 | 177 | -18.5 | 31 | 0 | 0 | 0 | 111.6 | L1349 R1581 | P1347-L1349 PolarHBondContact O-N 2.92Å; P1347-R1581 HydrophobicContact CB-CG 4.32Å |
| 1348 | P | 42.6 | Very low | 50.5 | Low | 27 Ų | 27 | 56.5 Ų | 56.5 | 18% | 0.175 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 127.9 | -174.6 | -4.9 | 24.2 | 0 | 0 | 0 | 107.9 | R1581 D1583 | P1348-R1581 HydrophobicContact CG-CB 4.02Å; P1348-R1581 VanDerWaalsContact CG-O 3.25Å; P1348-R1581 WeakPolarHBondContact CG-O 3.4Å; P1348-D1583 WeakPolarHBondContact CD-O 3.14Å |
| 1349 | L | 43.2 | Very low | 52.8 | Low | 46 Ų | 46 | 52.6 Ų | 52.6 | 24% | 0.241 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 135.3 | 158.8 | -61.5 | -174.3 | 0 | 0 | 0 | 107.2 | W1188 P1347 L1429 | W1188-L1349 HydrophobicContact CZ2-CD1 4.34Å; W1188-L1349 VanDerWaalsContact NE1-CD2 3.34Å; P1347-L1349 PolarHBondContact O-N 2.92Å; L1349-L1429 HydrophobicContact CB-CD2 3.41Å; L1349-L1429 VanDerWaalsContact CB-CD2 3.41Å; L1349-L1429 HydrophobicContact CB-CG 3.84Å; L1349-L1429 HydrophobicContact CD1-CG 4.39Å |
| 1350 | P | 47 | Very low | 54.8 | Low | 14 Ų | 14 | 48.4 Ų | 48.4 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 149.9 | -168.5 | -11.3 | 27.4 | 0 | 0 | 0 | 111.9 | W1190 M1325 A1330 L1429 | W1190-P1350 HydrophobicContact CZ2-CG 4.2Å; M1325-P1350 HydrophobicContact CE-CB 4.01Å; M1325-P1350 HydrophobicContact CE-CG 4.25Å; M1325-P1350 WeakPolarHBondContact CE-O 3.09Å; A1330-P1350 HydrophobicContact CB-CB 3.57Å; A1330-P1350 HydrophobicContact CB-CG 3.27Å; P1350-L1429 WeakPolarHBondContact O-CD2 3.33Å |
| 1351 | I | 50.5 | Low | 57 | Low | 82 Ų | 82 | 46.1 Ų | 46.1 | 42% | 0.421 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 17.9 | 117.1 | 155 | -52.9 | 173.5 | 0 | 0 | 0 | 115.2 | I1353 | I1351-I1353 PolarHBondContact O-N 2.82Š|
| 1352 | M | 51.7 | Low | 59 | Low | 62 Ų | 62 | 42 Ų | 42 | 31% | 0.305 | 24% | 0.243 | S | C | . | . | trans | -22.6 | 116 | 170.5 | -84.5 | -176.9 | 63.1 | 0 | 0 | 113.1 | P1354 L1429 M1442 I1443 | M1352-P1354 VanDerWaalsContact O-N 3.15Å; M1352-L1429 WeakPolarHBondContact CG-O 3.4Å; M1352-M1442 HydrophobicContact SD-CG 4.09Å; M1352-I1443 HydrophobicContact CE-CB 4.26Å; M1352-I1443 HydrophobicContact CE-CD1 4.09Å; M1352-I1443 HydrophobicContact CE-CG1 4.3Å | ||
| 1353 | I | 59.9 | Low | 60.1 | Low | 30 Ų | 30 | 40.2 Ų | 40.2 | 15% | 0.154 | 23% | 0.229 | C | C | . | . | trans | -52.8 | 121.3 | 172.3 | -49.6 | 161 | 0 | 0 | 0 | 106.3 | L1322 M1325 I1351 | L1322-I1353 HydrophobicContact CD2-CD1 3.56Å; L1322-I1353 HydrophobicContact CD2-CG1 3.84Å; L1322-I1353 HydrophobicContact CD2-CG2 3.96Å; L1322-I1353 HydrophobicContact CG-CG2 4.45Å; M1325-I1353 HydrophobicContact SD-CG1 3.95Å; I1351-I1353 PolarHBondContact O-N 2.82Å | ||
| 1354 | P | 65.5 | Low | 61 | Low | 16 Ų | 16 | 32.6 Ų | 32.6 | 10% | 0.104 | 19% | 0.194 | C | C | . | . | trans | -58.8 | 138.5 | 171.1 | 27.8 | -33.6 | 0 | 0 | 0 | 106.8 | A1219 I1222 S1324 M1352 | A1219-P1354 VanDerWaalsContact O-CB 3.24Å; A1219-P1354 WeakPolarHBondContact O-CB 3.3Å; I1222-P1354 HydrophobicContact CD1-CB 3.86Å; I1222-P1354 HydrophobicContact CD1-CG 3.89Å; I1222-P1354 HydrophobicContact CG1-CB 4.3Å; S1324-P1354 VanDerWaalsContact OG-CG 3.24Å; S1324-P1354 WeakPolarHBondContact OG-CG 3.21Å; M1352-P1354 VanDerWaalsContact O-N 3.15Å | ||
| 1355 | P | 68.9 | Low | 62.2 | Low | 9 Ų | 9 | 28.9 Ų | 28.9 | 6% | 0.058 | 17% | 0.168 | C | C | . | . | trans | -43 | 162.3 | -165.2 | -27.6 | 26.1 | 0 | 0 | 0 | 116.6 | N1220 I1222 I1443 V1599 V1600 | N1220-P1355 WeakPolarHBondContact O-CD 3.29Å; I1222-P1355 WeakPolarHBondContact CD1-O 3.37Å; P1355-I1443 HydrophobicContact CG-CD1 3.77Å; P1355-V1599 CarbonylContact C-O 3.54Å; P1355-V1599 VanDerWaalsContact C-O 3.31Å; P1355-V1599 CarbonylContact O-C 3.59Å; P1355-V1600 HydrophobicContact CB-CB 3.69Å; P1355-V1600 HydrophobicContact CB-CG1 3.77Å; P1355-V1600 PolarHBondContact O-N 3.28Å | ||
| 1356 | S | 77.3 | Confident | 63.4 | Low | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | trans | -131.4 | 69.1 | 170.5 | -72 | 0 | 0 | 0 | 0 | 127.9 | Y1235 E1236 A1317 V1600 | Y1235-S1356 CarbonylContact C-O 3.13Å; Y1235-S1356 VanDerWaalsContact C-O 3.32Å; Y1235-S1356 WeakPolarHBondContact CA-O 3.41Å; E1236-S1356 PolarHBondContact N-O 2.79Å; A1317-S1356 VanDerWaalsContact CB-O 3.26Å; A1317-S1356 WeakPolarHBondContact CB-O 3.35Å; S1356-V1600 CarbonylContact C-O 3.55Å; S1356-V1600 WeakPolarHBondContact CA-O 3.14Å; S1356-V1600 PolarHBondContact N-O 3.48Å; S1356-V1600 CarbonylContact O-C 3.57Å | ||
| 1357 | I | 82.8 | Confident | 65 | Low | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.015 | 14% | 0.143 | C | C | . | . | 62.1 | 71 | 94.2 | 55.7 | -166.1 | 0 | 0 | 0 | 123.1 | I1222 I1223 S1224 N1234 L1359 V1599 V1600 | I1222-I1357 WeakPolarHBondContact O-CD1 3.28Å; I1222-I1357 WeakPolarHBondContact O-CG1 3.32Å; I1223-I1357 HydrophobicContact CB-CD1 3.98Å; I1223-I1357 HydrophobicContact CB-CG1 4.45Å; I1223-I1357 HydrophobicContact CG1-CD1 3.76Å; I1223-I1357 HydrophobicContact CG2-CD1 3.9Å; S1224-I1357 PolarHBondContact OG-O 3.38Å; N1234-I1357 WeakPolarHBondContact O-CG2 3.14Å; I1357-L1359 HydrophobicContact CG2-CD2 3.84Å; I1357-L1359 HydrophobicContact CG2-CG 3.88Å; I1357-V1599 VanDerWaalsContact CA-CA 3.4Å; I1357-V1599 VanDerWaalsContact CA-CG1 3.41Å; I1357-V1599 WeakPolarHBondContact O-CG1 3.36Å; I1357-V1599 WeakPolarHBondContact O-CG2 3.15Å; I1357-V1600 HydrophobicContact CB-CB 4.41Å; I1357-V1600 HydrophobicContact CB-CG2 3.82Å; I1357-V1600 HydrophobicContact CD1-CB 3.85Å; I1357-V1600 HydrophobicContact CD1-CG1 3.42Å; I1357-V1600 VanDerWaalsContact CD1-CG1 3.42Å; I1357-V1600 HydrophobicContact CD1-CG2 3.46Å; I1357-V1600 VanDerWaalsContact CD1-CG2 3.46Å; I1357-V1600 HydrophobicContact CG1-CB 3.56Å; I1357-V1600 HydrophobicContact CG1-CG1 3.51Å; I1357-V1600 HydrophobicContact CG1-CG2 3.32Å; I1357-V1600 HydrophobicContact CG2-CG2 3.73Å; I1357-V1600 PolarHBondContact N-O 3.19Å; I1357-V1600 VanDerWaalsContact N-O 3.07Å | |||
| 1358 | G | 84.5 | Confident | 66.6 | Low | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -116.9 | 87.1 | 151.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | S1224 N1234 T1360 | S1224-G1358 CarbonylContact O-C 3.6Å; N1234-G1358 VanDerWaalsContact CA-O 3.29Å; N1234-G1358 WeakPolarHBondContact CA-O 3.3Å; N1234-G1358 WeakPolarHBondContact CB-O 3.31Å; N1234-G1358 PolarHBondContact N-O 2.82Å; N1234-G1358 PolarHBondContact O-N 3.13Å; G1358-T1360 PolarHBondContact O-N 2.83Å | ||
| 1359 | L | 86.2 | Confident | 68 | Low | 5 Ų | 5 | 20.9 Ų | 20.9 | 3% | 0.026 | 12% | 0.117 | C | C | . | . | B | Isolated β-bridge | trans | -72.1 | 85.3 | 164.7 | -62.7 | -173.5 | 0 | 0 | 0 | 109.8 | I1223 S1224 F1225 I1233 I1357 L1361 M1386 L1389 | I1223-L1359 HydrophobicContact CG2-CD1 3.45Å; I1223-L1359 VanDerWaalsContact CG2-CD1 3.45Å; I1223-L1359 HydrophobicContact CG2-CG 4.15Å; S1224-L1359 WeakPolarHBondContact O-CA 3.42Å; S1224-L1359 WeakPolarHBondContact O-CB 3.27Å; S1224-L1359 PolarHBondContact O-N 2.77Å; F1225-L1359 WeakPolarHBondContact CA-O 3.43Å; F1225-L1359 HydrophobicContact CD1-CB 3.64Å; F1225-L1359 HydrophobicContact CD1-CD1 4.42Å; F1225-L1359 VanDerWaalsContact CD1-O 3.3Å; F1225-L1359 WeakPolarHBondContact CD1-O 3.35Å; F1225-L1359 HydrophobicContact CE1-CB 3.67Å; F1225-L1359 HydrophobicContact CE1-CD1 3.58Å; F1225-L1359 HydrophobicContact CE1-CG 4.23Å; F1225-L1359 HydrophobicContact CZ-CD1 3.93Å; I1233-L1359 HydrophobicContact CB-CD2 4.29Å; I1233-L1359 HydrophobicContact CD1-CD2 4.24Å; I1233-L1359 HydrophobicContact CG1-CD2 3.75Å; I1233-L1359 HydrophobicContact CG2-CD2 4.11Å; I1357-L1359 HydrophobicContact CG2-CD2 3.84Å; I1357-L1359 HydrophobicContact CG2-CG 3.88Å; L1359-L1361 PolarHBondContact O-N 2.75Å; L1359-M1386 HydrophobicContact CD1-SD 3.68Å; L1359-L1389 HydrophobicContact CD1-CD1 4.13Å; L1359-L1389 HydrophobicContact CD2-CD1 4.02Å |
| 1360 | T | 79.4 | Confident | 69.3 | Low | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.012 | 12% | 0.124 | C | C | . | . | trans | -79.2 | 122.9 | 175.8 | 48.2 | 0 | 0 | 0 | 0 | 110.3 | P1226 D1228 L1230 S1231 D1232 N1310 A1313 G1358 | P1226-T1360 HydrophobicContact CG-CG2 4.17Å; P1226-T1360 WeakPolarHBondContact O-CG2 3.34Å; D1228-T1360 HydrophobicContact CB-CG2 3.95Å; L1230-T1360 WeakPolarHBondContact O-CB 3.19Å; L1230-T1360 PolarHBondContact O-OG1 2.97Å; S1231-T1360 WeakPolarHBondContact CA-O 2.85Å; S1231-T1360 WeakPolarHBondContact CB-O 2.83Å; D1232-T1360 PolarHBondContact N-O 3.03Å; D1232-T1360 PolarHBondContact N-OG1 3.3Å; D1232-T1360 PolarHBondContact O-N 3.47Å; D1232-T1360 PolarHBondContact O-OG1 2.83Å; D1232-T1360 VanDerWaalsContact O-OG1 3.07Å; N1310-T1360 PolarHBondContact ND2-OG1 2.81Å; A1313-T1360 HydrophobicContact CB-CG2 3.43Å; A1313-T1360 VanDerWaalsContact CB-CG2 3.43Å; G1358-T1360 PolarHBondContact O-N 2.83Å | ||
| 1361 | L | 79.9 | Confident | 70.4 | Confident | 15 Ų | 15 | 22 Ų | 22 | 8% | 0.079 | 13% | 0.128 | C | C | . | . | trans | -104 | -81.6 | -174 | -62.4 | 178.2 | 0 | 0 | 0 | 113.6 | L1079 F1225 S1231 L1359 P1363 F1382 | L1079-L1361 HydrophobicContact CD1-CD1 3.49Å; L1079-L1361 VanDerWaalsContact CD1-CD1 3.49Å; F1225-L1361 HydrophobicContact CD1-CD1 3.51Å; F1225-L1361 HydrophobicContact CD1-CG 3.85Å; F1225-L1361 HydrophobicContact CE1-CD1 3.9Å; F1225-L1361 HydrophobicContact CE1-CG 4.41Å; F1225-L1361 HydrophobicContact CG-CD1 4.43Å; S1231-L1361 VanDerWaalsContact CB-O 3.29Å; S1231-L1361 WeakPolarHBondContact CB-O 3Å; L1359-L1361 PolarHBondContact O-N 2.75Å; L1361-P1363 WeakPolarHBondContact O-CD 3.35Å; L1361-F1382 HydrophobicContact CD1-CE2 3.9Å | ||
| 1362 | C | 74.2 | Confident | 71.5 | Confident | 12 Ų | 12 | 18.1 Ų | 18.1 | 8% | 0.081 | 11% | 0.108 | C | C | . | . | trans | -124 | 87.2 | -172.2 | -154.8 | 0 | 0 | 0 | 0 | 112.5 | L1075 C1274 G1364 C1365 I1376 | L1075-C1362 HydrophobicContact CD2-CB 3.59Å; C1274-C1362 WeakPolarHBondContact CA-SG 3.41Å; C1274-C1362 HydrophobicContact CB-CB 4.17Å; C1274-C1362 WeakPolarHBondContact CB-SG 3.33Å; C1274-C1362 VanDerWaalsContact SG-CA 3.53Å; C1274-C1362 WeakPolarHBondContact SG-CB 3.4Å; C1274-C1362 CovalentContact SG-SG 2.04Å; C1274-C1362 PolarHBondContact SG-SG 3.27Å; C1362-G1364 VanDerWaalsContact C-N 3.31Å; C1362-G1364 PolarHBondContact O-N 3.48Å; C1362-G1364 VanDerWaalsContact O-N 3.15Å; C1362-C1365 PolarHBondContact O-N 3.07Å; C1362-I1376 HydrophobicContact CB-CD1 3.72Å | ||
| 1363 | P | 60.3 | Low | 72.8 | Confident | 20 Ų | 20 | 15.1 Ų | 15.1 | 13% | 0.13 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -32.9 | -168.2 | -30.4 | 35.9 | 0 | 0 | 0 | 117.2 | D1228 Q1229 L1361 F1366 | D1228-P1363 WeakPolarHBondContact O-CB 3.44Å; D1228-P1363 VanDerWaalsContact O-CG 3.27Å; D1228-P1363 WeakPolarHBondContact O-CG 3.4Å; Q1229-P1363 WeakPolarHBondContact O-CB 3.37Å; Q1229-P1363 VanDerWaalsContact O-CG 3.29Å; Q1229-P1363 WeakPolarHBondContact O-CG 3.45Å; L1361-P1363 WeakPolarHBondContact O-CD 3.35Å; P1363-F1366 VanDerWaalsContact O-CZ 3.24Å; P1363-F1366 WeakPolarHBondContact O-CZ 2.83Å |
| 1364 | G | 58 | Low | 73.4 | Confident | 17 Ų | 17 | 13.8 Ų | 13.8 | 18% | 0.175 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -4.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | C1362 | C1362-G1364 VanDerWaalsContact C-N 3.31Å; C1362-G1364 PolarHBondContact O-N 3.48Å; C1362-G1364 VanDerWaalsContact O-N 3.15Å |
| 1365 | C | 69 | Low | 73.8 | Confident | 4 Ų | 4 | 18.4 Ų | 18.4 | 3% | 0.027 | 10% | 0.102 | C | C | . | . | trans | -123.5 | 82.7 | -171 | -168 | 0 | 0 | 0 | 0 | 112.9 | C1145 M1273 C1362 P1368 | C1145-C1365 HydrophobicContact CB-CB 4.08Å; C1145-C1365 WeakPolarHBondContact CB-SG 3.47Å; C1145-C1365 WeakPolarHBondContact SG-CA 3.36Å; C1145-C1365 WeakPolarHBondContact SG-CB 3.39Å; C1145-C1365 CovalentContact SG-SG 2.03Å; C1145-C1365 PolarHBondContact SG-SG 3.13Å; M1273-C1365 HydrophobicContact CE-CB 4.04Å; M1273-C1365 WeakPolarHBondContact CE-SG 2.93Å; C1362-C1365 PolarHBondContact O-N 3.07Å; C1365-P1368 WeakPolarHBondContact SG-CA 3.44Å | ||
| 1366 | F | 70 | Confident | 74.1 | Confident | 64 Ų | 64 | 18 Ų | 18 | 28% | 0.281 | 10% | 0.099 | S | C | . | . | S | Bend | trans | -78.6 | -18.2 | 177.1 | -52.4 | -61.9 | 0 | 0 | 0 | 113.9 | H1072 Q1074 T1227 P1363 | H1072-F1366 AromaticContact CD2-CD1 3.7Å; H1072-F1366 AromaticContact CD2-CD2 3.83Å; H1072-F1366 AromaticContact CD2-CG 3.47Å; H1072-F1366 VanDerWaalsContact CD2-CG 3.47Å; H1072-F1366 WeakPolarHBondContact CD2-CG 3.12Å; H1072-F1366 AromaticContact NE2-CD1 3.46Å; H1072-F1366 WeakPolarHBondContact NE2-CD1 2.98Å; H1072-F1366 AromaticContact NE2-CD2 3.92Å; H1072-F1366 AromaticContact NE2-CE1 3.55Å; H1072-F1366 AromaticContact NE2-CE2 3.99Å; H1072-F1366 AromaticContact NE2-CG 3.66Å; H1072-F1366 AromaticContact NE2-CZ 3.82Å; Q1074-F1366 WeakPolarHBondContact CA-O 3.39Å; Q1074-F1366 WeakPolarHBondContact CB-O 3.27Å; Q1074-F1366 WeakPolarHBondContact CG-O 3.19Å; Q1074-F1366 PolarHBondContact N-O 3.22Å; T1227-F1366 HydrophobicContact CG2-CE1 4.13Å; P1363-F1366 VanDerWaalsContact O-CZ 3.24Å; P1363-F1366 WeakPolarHBondContact O-CZ 2.83Å |
| 1367 | S | 72.4 | Confident | 74.2 | Confident | 28 Ų | 28 | 19.1 Ų | 19.1 | 20% | 0.196 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -131.9 | 78.2 | 176.8 | 47.3 | 0 | 0 | 0 | 0 | 109.8 | H1146 | H1146-S1367 WeakPolarHBondContact CB-O 3.03Å; H1146-S1367 PolarHBondContact N-O 2.97Å; H1146-S1367 PolarHBondContact O-OG 2.94Å; H1146-S1367 VanDerWaalsContact O-OG 3.11Å |
| 1368 | P | 75.6 | Confident | 73.6 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | B | Isolated β-bridge | trans | -71.9 | 164.9 | 179.7 | 34.2 | -38.3 | 0 | 0 | 0 | 111.7 | F974 L1075 M1273 C1365 V1373 | F974-P1368 HydrophobicContact CE2-CG 3.84Å; L1075-P1368 HydrophobicContact CB-CG 3.98Å; L1075-P1368 HydrophobicContact CD1-CB 4.4Å; L1075-P1368 HydrophobicContact CD1-CG 3.96Å; M1273-P1368 HydrophobicContact CE-CB 3.62Å; C1365-P1368 WeakPolarHBondContact SG-CA 3.44Å; P1368-V1373 HydrophobicContact CB-CG2 4.21Å; P1368-V1373 HydrophobicContact CG-CG2 3.94Å |
| 1369 | S | 71.7 | Confident | 72.8 | Confident | 6 Ų | 6 | 22.3 Ų | 22.3 | 4% | 0.042 | 12% | 0.122 | C | C | . | . | trans | -90.8 | 168.6 | 166.3 | 75.5 | 0 | 0 | 0 | 0 | 111.3 | D1143 Y1144 S1371 G1372 V1373 | D1143-S1369 VanDerWaalsContact O-CB 3.28Å; D1143-S1369 WeakPolarHBondContact O-CB 3.42Å; D1143-S1369 PolarHBondContact O-OG 3.14Å; Y1144-S1369 VanDerWaalsContact CA-OG 3.23Å; Y1144-S1369 WeakPolarHBondContact CA-OG 3.07Å; Y1144-S1369 PolarHBondContact O-N 3.1Å; Y1144-S1369 PolarHBondContact O-OG 3.19Å; S1369-S1371 VanDerWaalsContact C-N 3.32Å; S1369-S1371 PolarHBondContact O-N 3.09Å; S1369-S1371 PolarHBondContact OG-OG 3.41Å; S1369-G1372 WeakPolarHBondContact O-CA 3.43Å; S1369-G1372 PolarHBondContact O-N 3.12Å; S1369-G1372 PolarHBondContact OG-N 2.87Å; S1369-G1372 VanDerWaalsContact OG-N 3.13Å; S1369-V1373 PolarHBondContact O-N 2.7Å | ||
| 1370 | P | 70.8 | Confident | 72.3 | Confident | 58 Ų | 58 | 22.1 Ų | 22.1 | 38% | 0.377 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -49.6 | -46.6 | 170.7 | -29.3 | 35.8 | 0 | 0 | 0 | 114.1 | I972 F974 G1372 V1373 A1374 | I972-P1370 CarbonylContact O-C 3.52Å; I972-P1370 VanDerWaalsContact O-CA 3.3Å; I972-P1370 WeakPolarHBondContact O-CA 3.37Å; I972-P1370 WeakPolarHBondContact O-CB 3.36Å; F974-P1370 HydrophobicContact CB-CB 4.49Å; F974-P1370 HydrophobicContact CB-CG 3.85Å; P1370-G1372 VanDerWaalsContact C-N 3.32Å; P1370-G1372 PolarHBondContact O-N 2.87Å; P1370-V1373 PolarHBondContact O-N 3.25Å; P1370-A1374 PolarHBondContact O-N 2.7Å |
| 1371 | S | 69.6 | Low | 72 | Confident | 26 Ų | 26 | 26.8 Ų | 26.8 | 18% | 0.182 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69.7 | -30 | 178.7 | 64.1 | 0 | 0 | 0 | 0 | 112.2 | D1143 Y1144 S1369 A1374 R1375 | D1143-S1371 PolarHBondContact O-OG 2.91Å; Y1144-S1371 WeakPolarHBondContact CD1-OG 3.48Å; S1369-S1371 VanDerWaalsContact C-N 3.32Å; S1369-S1371 PolarHBondContact O-N 3.09Å; S1369-S1371 PolarHBondContact OG-OG 3.41Å; S1371-A1374 PolarHBondContact O-N 2.97Å; S1371-R1375 WeakPolarHBondContact O-CB 3.19Å; S1371-R1375 PolarHBondContact O-N 3.46Å |
| 1372 | G | 74.5 | Confident | 72 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.9 | -45.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1273 S1369 P1370 A1374 R1375 I1376 | M1273-G1372 VanDerWaalsContact SD-C 3.57Å; M1273-G1372 WeakPolarHBondContact SD-CA 3.11Å; S1369-G1372 WeakPolarHBondContact O-CA 3.43Å; S1369-G1372 PolarHBondContact O-N 3.12Å; S1369-G1372 PolarHBondContact OG-N 2.87Å; S1369-G1372 VanDerWaalsContact OG-N 3.13Å; P1370-G1372 VanDerWaalsContact C-N 3.32Å; P1370-G1372 PolarHBondContact O-N 2.87Å; G1372-A1374 VanDerWaalsContact C-N 3.34Å; G1372-A1374 PolarHBondContact O-N 3.36Å; G1372-R1375 WeakPolarHBondContact O-CB 3.2Å; G1372-R1375 PolarHBondContact O-N 2.56Å; G1372-I1376 PolarHBondContact O-N 3.14Å; G1372-I1376 VanDerWaalsContact O-N 3.11Å |
| 1373 | V | 77.8 | Confident | 72.2 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.3 | -46.2 | 174.8 | -179.6 | 0 | 0 | 0 | 0 | 110.5 | I972 F974 L1075 Q1078 L1079 P1368 S1369 P1370 R1375 I1376 W1377 | I972-V1373 HydrophobicContact CB-CG1 4.37Å; I972-V1373 HydrophobicContact CG2-CB 4.48Å; I972-V1373 HydrophobicContact CG2-CG1 3.87Å; F974-V1373 HydrophobicContact CD2-CG2 4.24Å; L1075-V1373 HydrophobicContact CD1-CG2 4.22Å; Q1078-V1373 HydrophobicContact CB-CG1 4Å; Q1078-V1373 HydrophobicContact CB-CG2 4.06Å; Q1078-V1373 HydrophobicContact CG-CG2 4.1Å; L1079-V1373 HydrophobicContact CD2-CG1 3.99Å; P1368-V1373 HydrophobicContact CB-CG2 4.21Å; P1368-V1373 HydrophobicContact CG-CG2 3.94Å; S1369-V1373 PolarHBondContact O-N 2.7Å; P1370-V1373 PolarHBondContact O-N 3.25Å; V1373-R1375 VanDerWaalsContact C-N 3.32Å; V1373-R1375 PolarHBondContact O-N 2.74Å; V1373-I1376 PolarHBondContact O-N 2.99Å; V1373-W1377 WeakPolarHBondContact O-CB 3.36Å; V1373-W1377 PolarHBondContact O-N 3.36Å |
| 1374 | A | 72.9 | Confident | 72.6 | Confident | 2 Ų | 2 | 28.3 Ų | 28.3 | 2% | 0.017 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.1 | -38.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N970 E971 I972 P1370 S1371 G1372 T1378 | N970-A1374 WeakPolarHBondContact O-CB 3.5Å; E971-A1374 VanDerWaalsContact CA-CB 3.41Å; I972-A1374 HydrophobicContact CB-CB 3.97Å; I972-A1374 HydrophobicContact CD1-CB 4.29Å; I972-A1374 HydrophobicContact CG1-CB 3.77Å; P1370-A1374 PolarHBondContact O-N 2.7Å; S1371-A1374 PolarHBondContact O-N 2.97Å; G1372-A1374 VanDerWaalsContact C-N 3.34Å; G1372-A1374 PolarHBondContact O-N 3.36Å; A1374-T1378 WeakPolarHBondContact O-CB 3.12Å; A1374-T1378 PolarHBondContact O-N 3.12Å; A1374-T1378 VanDerWaalsContact O-N 3.12Å; A1374-T1378 PolarHBondContact O-OG1 3.44Å |
| 1375 | R | 73.1 | Confident | 73.5 | Confident | 113 Ų | 113 | 27.7 Ų | 27.7 | 43% | 0.426 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -63.9 | -48.4 | 176.9 | -174.8 | 71.3 | -151.5 | -159.3 | 12.4 | 111.4 | S1371 G1372 V1373 T1378 D1379 | S1371-R1375 WeakPolarHBondContact O-CB 3.19Å; S1371-R1375 PolarHBondContact O-N 3.46Å; G1372-R1375 WeakPolarHBondContact O-CB 3.2Å; G1372-R1375 PolarHBondContact O-N 2.56Å; V1373-R1375 VanDerWaalsContact C-N 3.32Å; V1373-R1375 PolarHBondContact O-N 2.74Å; R1375-T1378 PolarHBondContact O-N 3.12Å; R1375-D1379 IonicContact CZ-OD1 3.74Å; R1375-D1379 IonicContact CZ-OD2 3.64Å; R1375-D1379 VanDerWaalsContact NE-CG 3.32Å; R1375-D1379 IonicContact NE-OD1 3.94Å; R1375-D1379 PolarHBondContact NE-OD1 2.82Å; R1375-D1379 IonicContact NE-OD2 3.1Å; R1375-D1379 PolarHBondContact NE-OD2 3.37Å; R1375-D1379 IonicContact NH2-OD1 3.46Å; R1375-D1379 PolarHBondContact NH2-OD1 2.96Å; R1375-D1379 IonicContact NH2-OD2 3.98Å; R1375-D1379 PolarHBondContact NH2-OD2 3.01Å; R1375-D1379 WeakPolarHBondContact O-CB 3.33Å; R1375-D1379 PolarHBondContact O-N 2.89Å |
| 1376 | I | 76.2 | Confident | 74.1 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.2 | -45.5 | -180 | -68 | 170.6 | 0 | 0 | 0 | 110.6 | L1075 L1079 M1273 C1362 G1372 V1373 T1378 Y1380 | L1075-I1376 HydrophobicContact CD1-CD1 3.89Å; L1075-I1376 HydrophobicContact CD2-CD1 3.69Å; L1075-I1376 HydrophobicContact CG-CD1 4.48Å; L1079-I1376 HydrophobicContact CD1-CG2 3.97Å; L1079-I1376 HydrophobicContact CD2-CG2 4.46Å; M1273-I1376 HydrophobicContact CE-CD1 3.76Å; M1273-I1376 HydrophobicContact SD-CD1 3.59Å; M1273-I1376 VanDerWaalsContact SD-CD1 3.59Å; M1273-I1376 HydrophobicContact SD-CG1 3.79Å; C1362-I1376 HydrophobicContact CB-CD1 3.72Å; G1372-I1376 PolarHBondContact O-N 3.14Å; G1372-I1376 VanDerWaalsContact O-N 3.11Å; V1373-I1376 PolarHBondContact O-N 2.99Å; I1376-T1378 VanDerWaalsContact C-N 3.29Å; I1376-T1378 PolarHBondContact O-N 3.16Å; I1376-Y1380 HydrophobicContact CG2-CD2 3.86Å; I1376-Y1380 HydrophobicContact CG2-CE2 4.3Å; I1376-Y1380 WeakPolarHBondContact O-CB 3.3Å; I1376-Y1380 WeakPolarHBondContact O-CD2 3.35Å; I1376-Y1380 PolarHBondContact O-N 3.21Å |
| 1377 | W | 78.8 | Confident | 74.3 | Confident | 27 Ų | 27 | 25.3 Ų | 25.3 | 10% | 0.102 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -52.4 | -46.3 | 175.5 | 179.2 | -92 | 0 | 0 | 0 | 112.6 | I972 L1079 H1082 F1083 F1086 V1373 R1381 F1382 P1383 | I972-W1377 HydrophobicContact CD1-CB 3.67Å; I972-W1377 HydrophobicContact CD1-CD2 3.82Å; I972-W1377 HydrophobicContact CD1-CE3 4.44Å; I972-W1377 HydrophobicContact CD1-CG 3.49Å; I972-W1377 VanDerWaalsContact CD1-CG 3.49Å; L1079-W1377 HydrophobicContact CD2-CE3 4.18Å; H1082-W1377 HydrophobicContact CB-CE3 4.42Å; H1082-W1377 HydrophobicContact CB-CH2 4.1Å; H1082-W1377 HydrophobicContact CB-CZ3 3.79Å; H1082-W1377 VanDerWaalsContact O-CH2 3.25Å; H1082-W1377 WeakPolarHBondContact O-CH2 3.49Å; F1083-W1377 HydrophobicContact CB-CZ3 4.24Å; F1086-W1377 HydrophobicContact CB-CH2 3.98Å; F1086-W1377 HydrophobicContact CB-CZ2 4.35Å; V1373-W1377 WeakPolarHBondContact O-CB 3.36Å; V1373-W1377 PolarHBondContact O-N 3.36Å; W1377-R1381 WeakPolarHBondContact O-CA 3.33Å; W1377-R1381 PolarHBondContact O-N 2.95Å; W1377-R1381 VanDerWaalsContact O-N 3.14Å; W1377-F1382 HydrophobicContact CD2-CB 4.29Å; W1377-F1382 HydrophobicContact CE3-CB 4Å; W1377-F1382 AromaticContact CE3-CD1 3.83Å; W1377-F1382 HydrophobicContact CE3-CD1 3.83Å; W1377-F1382 HydrophobicContact CE3-CG 4.31Å; W1377-F1382 AromaticContact CZ3-CD1 3.82Å; W1377-F1382 HydrophobicContact CZ3-CD1 3.82Å; W1377-F1382 PolarHBondContact O-N 2.74Å; W1377-P1383 HydrophobicContact CD2-CG 4.24Å; W1377-P1383 HydrophobicContact CH2-CG 3.63Å; W1377-P1383 HydrophobicContact CZ2-CG 3.2Å; W1377-P1383 HydrophobicContact CZ3-CG 4.29Å |
| 1378 | T | 70.2 | Confident | 74.1 | Confident | 38 Ų | 38 | 24.8 Ų | 24.8 | 23% | 0.233 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -78.5 | -47.8 | -177.1 | -51.5 | 0 | 0 | 0 | 0 | 112.2 | E968 A1374 R1375 I1376 Y1380 R1381 | E968-T1378 HydrophobicContact CB-CG2 4.35Å; A1374-T1378 WeakPolarHBondContact O-CB 3.12Å; A1374-T1378 PolarHBondContact O-N 3.12Å; A1374-T1378 VanDerWaalsContact O-N 3.12Å; A1374-T1378 PolarHBondContact O-OG1 3.44Å; R1375-T1378 PolarHBondContact O-N 3.12Å; I1376-T1378 VanDerWaalsContact C-N 3.29Å; I1376-T1378 PolarHBondContact O-N 3.16Å; T1378-Y1380 VanDerWaalsContact C-N 3.33Å; T1378-Y1380 PolarHBondContact O-N 3.41Å; T1378-R1381 PolarHBondContact O-N 3.38Å; T1378-R1381 VanDerWaalsContact O-N 3.08Å |
| 1379 | D | 68.8 | Low | 74 | Confident | 32 Ų | 32 | 25 Ų | 25 | 17% | 0.171 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.4 | -42.7 | 179.4 | -82.1 | -22.5 | 0 | 0 | 0 | 111.5 | S1266 S1271 R1375 | S1266-D1379 WeakPolarHBondContact CB-O 3.28Å; S1266-D1379 PolarHBondContact OG-O 2.87Å; S1271-D1379 WeakPolarHBondContact CB-OD2 3.33Å; S1271-D1379 PolarHBondContact OG-OD2 2.84Å; R1375-D1379 IonicContact CZ-OD1 3.74Å; R1375-D1379 IonicContact CZ-OD2 3.64Å; R1375-D1379 VanDerWaalsContact NE-CG 3.32Å; R1375-D1379 IonicContact NE-OD1 3.94Å; R1375-D1379 PolarHBondContact NE-OD1 2.82Å; R1375-D1379 IonicContact NE-OD2 3.1Å; R1375-D1379 PolarHBondContact NE-OD2 3.37Å; R1375-D1379 IonicContact NH2-OD1 3.46Å; R1375-D1379 PolarHBondContact NH2-OD1 2.96Å; R1375-D1379 IonicContact NH2-OD2 3.98Å; R1375-D1379 PolarHBondContact NH2-OD2 3.01Å; R1375-D1379 WeakPolarHBondContact O-CB 3.33Å; R1375-D1379 PolarHBondContact O-N 2.89Å |
| 1380 | Y | 74.3 | Confident | 74.1 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -1 | 178 | -71.1 | -81.7 | 0 | 0 | 0 | 113.9 | S1231 S1264 L1267 I1376 T1378 F1382 | S1231-Y1380 WeakPolarHBondContact CB-OH 3.29Å; S1231-Y1380 PolarHBondContact OG-OH 2.86Å; S1264-Y1380 VanDerWaalsContact CB-O 3.22Å; S1264-Y1380 WeakPolarHBondContact CB-O 3.09Å; S1264-Y1380 VanDerWaalsContact OG-C 3.22Å; S1264-Y1380 VanDerWaalsContact OG-CA 3.25Å; S1264-Y1380 WeakPolarHBondContact OG-CA 3.08Å; S1264-Y1380 PolarHBondContact OG-O 3.08Å; L1267-Y1380 HydrophobicContact CD2-CD1 4.27Å; L1267-Y1380 HydrophobicContact CD2-CE1 4.03Å; L1267-Y1380 HydrophobicContact CG-CD1 4.31Å; L1267-Y1380 HydrophobicContact CG-CE1 4.34Å; I1376-Y1380 HydrophobicContact CG2-CD2 3.86Å; I1376-Y1380 HydrophobicContact CG2-CE2 4.3Å; I1376-Y1380 WeakPolarHBondContact O-CB 3.3Å; I1376-Y1380 WeakPolarHBondContact O-CD2 3.35Å; I1376-Y1380 PolarHBondContact O-N 3.21Å; T1378-Y1380 VanDerWaalsContact C-N 3.33Å; T1378-Y1380 PolarHBondContact O-N 3.41Å; Y1380-F1382 PolarHBondContact O-N 2.71Å |
| 1381 | R | 73.4 | Confident | 73.8 | Confident | 100 Ų | 100 | 24.1 Ų | 24.1 | 38% | 0.377 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | 48.7 | -174.2 | -64.9 | 164.1 | 164 | -171 | -6.7 | 111.6 | L1263 W1377 T1378 S1384 L1385 | L1263-R1381 WeakPolarHBondContact O-CD 3.43Å; L1263-R1381 PolarHBondContact O-NH1 2.92Å; W1377-R1381 WeakPolarHBondContact O-CA 3.33Å; W1377-R1381 PolarHBondContact O-N 2.95Å; W1377-R1381 VanDerWaalsContact O-N 3.14Å; T1378-R1381 PolarHBondContact O-N 3.38Å; T1378-R1381 VanDerWaalsContact O-N 3.08Å; R1381-S1384 PolarHBondContact O-N 3.24Å; R1381-L1385 PolarHBondContact O-N 2.87Å |
| 1382 | F | 81.2 | Confident | 73.4 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -54.2 | -41.2 | -159.8 | -167.6 | -104 | 0 | 0 | 0 | 114.4 | L1079 F1083 F1225 L1361 W1377 Y1380 L1385 M1386 | L1079-F1382 HydrophobicContact CB-CD1 4.49Å; L1079-F1382 HydrophobicContact CB-CE1 3.93Å; L1079-F1382 HydrophobicContact CB-CZ 4.04Å; L1079-F1382 WeakPolarHBondContact O-CE1 2.98Å; F1083-F1382 HydrophobicContact CB-CD1 4.31Å; F1083-F1382 HydrophobicContact CB-CE1 3.94Å; F1083-F1382 HydrophobicContact CG-CE1 4.3Å; F1225-F1382 AromaticContact CE1-CE2 3.99Å; F1225-F1382 HydrophobicContact CE1-CE2 3.99Å; F1225-F1382 HydrophobicContact CE1-CZ 4.01Å; F1225-F1382 HydrophobicContact CZ-CE2 4.46Å; F1225-F1382 HydrophobicContact CZ-CZ 4.05Å; L1361-F1382 HydrophobicContact CD1-CE2 3.9Å; W1377-F1382 HydrophobicContact CD2-CB 4.29Å; W1377-F1382 HydrophobicContact CE3-CB 4Å; W1377-F1382 AromaticContact CE3-CD1 3.83Å; W1377-F1382 HydrophobicContact CE3-CD1 3.83Å; W1377-F1382 HydrophobicContact CE3-CG 4.31Å; W1377-F1382 AromaticContact CZ3-CD1 3.82Å; W1377-F1382 HydrophobicContact CZ3-CD1 3.82Å; W1377-F1382 PolarHBondContact O-N 2.74Å; Y1380-F1382 PolarHBondContact O-N 2.71Å; F1382-L1385 PolarHBondContact O-N 2.88Å; F1382-M1386 HydrophobicContact CD1-CG 4.03Å; F1382-M1386 HydrophobicContact CD2-CG 4.15Å; F1382-M1386 HydrophobicContact CE1-CG 3.68Å; F1382-M1386 HydrophobicContact CE2-CG 3.8Å; F1382-M1386 HydrophobicContact CE2-SD 4.16Å; F1382-M1386 HydrophobicContact CG-CG 4.26Å; F1382-M1386 HydrophobicContact CZ-CG 3.55Å; F1382-M1386 HydrophobicContact CZ-SD 4.01Å; F1382-M1386 VanDerWaalsContact O-CB 3.32Å; F1382-M1386 WeakPolarHBondContact O-CB 3.24Å; F1382-M1386 WeakPolarHBondContact O-CG 3.38Å; F1382-M1386 PolarHBondContact O-N 2.61Å |
| 1383 | P | 76.7 | Confident | 72.7 | Confident | 15 Ų | 15 | 23.7 Ų | 23.7 | 10% | 0.097 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.7 | -44.9 | 176.3 | -25.9 | 37.2 | 0 | 0 | 0 | 113.9 | F1086 W1377 A1387 | F1086-P1383 HydrophobicContact CD1-CB 3.99Å; F1086-P1383 HydrophobicContact CD2-CB 4.03Å; F1086-P1383 HydrophobicContact CD2-CG 4.17Å; F1086-P1383 HydrophobicContact CE1-CB 3.78Å; F1086-P1383 HydrophobicContact CE2-CB 3.8Å; F1086-P1383 HydrophobicContact CE2-CG 4.31Å; F1086-P1383 HydrophobicContact CG-CB 4.13Å; F1086-P1383 HydrophobicContact CG-CG 4.36Å; F1086-P1383 HydrophobicContact CZ-CB 3.69Å; W1377-P1383 HydrophobicContact CD2-CG 4.24Å; W1377-P1383 HydrophobicContact CH2-CG 3.63Å; W1377-P1383 HydrophobicContact CZ2-CG 3.2Å; W1377-P1383 HydrophobicContact CZ3-CG 4.29Å; P1383-A1387 WeakPolarHBondContact O-CB 3.22Å; P1383-A1387 PolarHBondContact O-N 2.59Å |
| 1384 | S | 69.1 | Low | 71.7 | Confident | 65 Ų | 65 | 24 Ų | 24 | 46% | 0.455 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -70.3 | -37.2 | 179.5 | -52 | 0 | 0 | 0 | 0 | 111.6 | R1381 G1388 | R1381-S1384 PolarHBondContact O-N 3.24Å; S1384-G1388 PolarHBondContact O-N 3.09Å |
| 1385 | L | 76.9 | Confident | 70.6 | Confident | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.7 | -50.6 | 173.1 | 178.6 | 62.3 | 0 | 0 | 0 | 111.1 | L1263 L1267 R1381 F1382 L1389 | L1263-L1385 HydrophobicContact CB-CD1 4.36Å; L1267-L1385 HydrophobicContact CD1-CD1 4.37Å; L1267-L1385 HydrophobicContact CD1-CD2 4.47Å; R1381-L1385 PolarHBondContact O-N 2.87Å; F1382-L1385 PolarHBondContact O-N 2.88Å; L1385-L1389 HydrophobicContact CD1-CD1 3.75Å; L1385-L1389 HydrophobicContact CD1-CG 4.13Å; L1385-L1389 HydrophobicContact CG-CD1 3.95Å; L1385-L1389 VanDerWaalsContact O-CB 3.3Å; L1385-L1389 WeakPolarHBondContact O-CB 3.26Å; L1385-L1389 WeakPolarHBondContact O-CG 3.4Å; L1385-L1389 PolarHBondContact O-N 2.9Å |
| 1386 | M | 83 | Confident | 69.1 | Low | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -70.1 | -45.9 | -178.4 | -73.9 | -60.9 | -59.8 | 0 | 0 | 112.3 | V1065 F1083 I1223 F1225 L1359 F1382 G1388 L1389 I1390 | V1065-M1386 HydrophobicContact CG1-CE 3.86Å; V1065-M1386 HydrophobicContact CG2-CE 4.44Å; F1083-M1386 HydrophobicContact CD1-CB 4.37Å; F1083-M1386 HydrophobicContact CD2-CB 4.07Å; F1083-M1386 HydrophobicContact CE1-CB 3.89Å; F1083-M1386 HydrophobicContact CE1-CE 4.39Å; F1083-M1386 HydrophobicContact CE2-CB 3.57Å; F1083-M1386 HydrophobicContact CG-CB 4.46Å; F1083-M1386 HydrophobicContact CZ-CB 3.47Å; F1083-M1386 VanDerWaalsContact CZ-CB 3.47Å; I1223-M1386 HydrophobicContact CD1-CE 4.25Å; I1223-M1386 HydrophobicContact CG2-CE 3.76Å; I1223-M1386 HydrophobicContact CG2-SD 4.28Å; F1225-M1386 HydrophobicContact CE1-SD 4.35Å; F1225-M1386 HydrophobicContact CZ-CE 4.11Å; F1225-M1386 HydrophobicContact CZ-SD 3.96Å; L1359-M1386 HydrophobicContact CD1-SD 3.68Å; F1382-M1386 HydrophobicContact CD1-CG 4.03Å; F1382-M1386 HydrophobicContact CD2-CG 4.15Å; F1382-M1386 HydrophobicContact CE1-CG 3.68Å; F1382-M1386 HydrophobicContact CE2-CG 3.8Å; F1382-M1386 HydrophobicContact CE2-SD 4.16Å; F1382-M1386 HydrophobicContact CG-CG 4.26Å; F1382-M1386 HydrophobicContact CZ-CG 3.55Å; F1382-M1386 HydrophobicContact CZ-SD 4.01Å; F1382-M1386 VanDerWaalsContact O-CB 3.32Å; F1382-M1386 WeakPolarHBondContact O-CB 3.24Å; F1382-M1386 WeakPolarHBondContact O-CG 3.38Å; F1382-M1386 PolarHBondContact O-N 2.61Å; M1386-G1388 VanDerWaalsContact C-N 3.33Å; M1386-G1388 PolarHBondContact O-N 2.79Å; M1386-L1389 PolarHBondContact O-N 3.27Å; M1386-I1390 HydrophobicContact CE-CD1 4.09Å; M1386-I1390 HydrophobicContact CE-CG1 4.43Å; M1386-I1390 WeakPolarHBondContact O-CB 3.23Å; M1386-I1390 WeakPolarHBondContact O-CD1 3.35Å; M1386-I1390 WeakPolarHBondContact O-CG1 3.18Å; M1386-I1390 PolarHBondContact O-N 2.7Å |
| 1387 | A | 73.2 | Confident | 67.5 | Low | 18 Ų | 18 | 21.4 Ų | 21.4 | 15% | 0.149 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.4 | -44.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1100 P1383 I1390 Q1391 | L1100-A1387 HydrophobicContact CD2-CB 4.25Å; P1383-A1387 WeakPolarHBondContact O-CB 3.22Å; P1383-A1387 PolarHBondContact O-N 2.59Å; A1387-I1390 PolarHBondContact O-N 3.32Å; A1387-Q1391 WeakPolarHBondContact O-CB 3Å; A1387-Q1391 PolarHBondContact O-N 3.19Å |
| 1388 | G | 69.2 | Low | 65.7 | Low | 16 Ų | 16 | 21 Ų | 21 | 17% | 0.165 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.8 | -42.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1384 M1386 H1392 | S1384-G1388 PolarHBondContact O-N 3.09Å; M1386-G1388 VanDerWaalsContact C-N 3.33Å; M1386-G1388 PolarHBondContact O-N 2.79Å; G1388-H1392 WeakPolarHBondContact O-CB 3.45Å; G1388-H1392 PolarHBondContact O-N 3.25Å |
| 1389 | L | 72.9 | Confident | 64.4 | Low | 4 Ų | 4 | 19.7 Ų | 19.7 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -70.2 | -37.1 | 176.2 | -73 | 173.6 | 0 | 0 | 0 | 113 | I1233 L1256 L1259 L1359 L1385 M1386 T1393 | I1233-L1389 HydrophobicContact CD1-CD1 4.29Å; L1256-L1389 HydrophobicContact CD2-CD2 3.48Å; L1256-L1389 VanDerWaalsContact CD2-CD2 3.48Å; L1259-L1389 HydrophobicContact CD2-CD2 4.26Å; L1359-L1389 HydrophobicContact CD1-CD1 4.13Å; L1359-L1389 HydrophobicContact CD2-CD1 4.02Å; L1385-L1389 HydrophobicContact CD1-CD1 3.75Å; L1385-L1389 HydrophobicContact CD1-CG 4.13Å; L1385-L1389 HydrophobicContact CG-CD1 3.95Å; L1385-L1389 VanDerWaalsContact O-CB 3.3Å; L1385-L1389 WeakPolarHBondContact O-CB 3.26Å; L1385-L1389 WeakPolarHBondContact O-CG 3.4Å; L1385-L1389 PolarHBondContact O-N 2.9Å; M1386-L1389 PolarHBondContact O-N 3.27Å; L1389-T1393 WeakPolarHBondContact O-CB 3.37Å; L1389-T1393 WeakPolarHBondContact O-CG2 3.41Å; L1389-T1393 PolarHBondContact O-N 3.4Å; L1389-T1393 PolarHBondContact O-OG1 3.15Å |
| 1390 | I | 73.8 | Confident | 63.3 | Low | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -69.7 | -44.4 | 176.2 | -65.6 | 162.9 | 0 | 0 | 0 | 109.9 | I1063 V1065 F1083 L1100 I1106 I1223 M1386 A1387 H1392 T1393 S1394 | I1063-I1390 HydrophobicContact CD1-CG2 3.86Å; I1063-I1390 WeakPolarHBondContact CD1-O 3.23Å; I1063-I1390 HydrophobicContact CG2-CG2 4.12Å; V1065-I1390 HydrophobicContact CG2-CD1 4.49Å; F1083-I1390 HydrophobicContact CE1-CD1 3.54Å; F1083-I1390 HydrophobicContact CZ-CD1 3.73Å; L1100-I1390 HydrophobicContact CD1-CB 4.28Å; L1100-I1390 HydrophobicContact CD1-CG2 3.76Å; L1100-I1390 HydrophobicContact CD2-CB 4.21Å; L1100-I1390 HydrophobicContact CD2-CG2 4.04Å; L1100-I1390 HydrophobicContact CG-CG2 4.11Å; I1106-I1390 HydrophobicContact CD1-CD1 4.38Å; I1106-I1390 HydrophobicContact CD1-CG2 3.73Å; I1106-I1390 HydrophobicContact CG1-CG2 4Å; I1223-I1390 HydrophobicContact CD1-CB 4.35Å; I1223-I1390 HydrophobicContact CD1-CD1 4.4Å; I1223-I1390 HydrophobicContact CD1-CG1 3.34Å; M1386-I1390 HydrophobicContact CE-CD1 4.09Å; M1386-I1390 HydrophobicContact CE-CG1 4.43Å; M1386-I1390 WeakPolarHBondContact O-CB 3.23Å; M1386-I1390 WeakPolarHBondContact O-CD1 3.35Å; M1386-I1390 WeakPolarHBondContact O-CG1 3.18Å; M1386-I1390 PolarHBondContact O-N 2.7Å; A1387-I1390 PolarHBondContact O-N 3.32Å; I1390-H1392 VanDerWaalsContact C-N 3.34Å; I1390-T1393 WeakPolarHBondContact CA-OG1 3.28Å; I1390-T1393 PolarHBondContact O-N 2.68Å; I1390-T1393 PolarHBondContact O-OG1 2.95Å; I1390-S1394 PolarHBondContact O-N 3.38Å |
| 1391 | Q | 64.2 | Low | 61.8 | Low | 47 Ų | 47 | 19.3 Ų | 19.3 | 22% | 0.22 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.2 | -44.2 | 174.8 | -166.7 | 170 | -10.6 | 0 | 0 | 109.9 | L1100 A1387 T1393 S1394 L1395 | L1100-Q1391 HydrophobicContact CD1-CB 3.75Å; L1100-Q1391 HydrophobicContact CD1-CG 4.3Å; A1387-Q1391 WeakPolarHBondContact O-CB 3Å; A1387-Q1391 PolarHBondContact O-N 3.19Å; Q1391-T1393 VanDerWaalsContact C-N 3.31Å; Q1391-T1393 PolarHBondContact O-N 3.07Å; Q1391-S1394 PolarHBondContact O-N 3Å; Q1391-S1394 PolarHBondContact O-OG 3.08Å; Q1391-L1395 HydrophobicContact CG-CD1 4.05Å; Q1391-L1395 VanDerWaalsContact O-CB 3.26Å; Q1391-L1395 WeakPolarHBondContact O-CB 3.47Å; Q1391-L1395 WeakPolarHBondContact O-CD1 3.27Å; Q1391-L1395 WeakPolarHBondContact O-CG 3.29Å; Q1391-L1395 PolarHBondContact O-N 3.46Å |
| 1392 | H | 61.3 | Low | 60.8 | Low | 16 Ų | 16 | 14.6 Ų | 14.6 | 7% | 0.074 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -67.1 | -31.4 | 177.4 | -160 | -66.6 | 0 | 0 | 0 | 113.1 | W1255 L1256 L1259 G1388 I1390 I1396 L1401 | W1255-H1392 AromaticContact CD1-CE1 3.42Å; W1255-H1392 VanDerWaalsContact CD1-CE1 3.42Å; W1255-H1392 AromaticContact CD1-NE2 3.12Å; W1255-H1392 AromaticContact NE1-CD2 3.8Å; W1255-H1392 AromaticContact NE1-CE1 3.62Å; W1255-H1392 AromaticContact NE1-NE2 2.83Å; W1255-H1392 PolarHBondContact NE1-NE2 3.09Å; L1256-H1392 HydrophobicContact CD2-CB 3.84Å; L1259-H1392 HydrophobicContact CD2-CB 3.7Å; G1388-H1392 WeakPolarHBondContact O-CB 3.45Å; G1388-H1392 PolarHBondContact O-N 3.25Å; I1390-H1392 VanDerWaalsContact C-N 3.34Å; H1392-I1396 WeakPolarHBondContact ND1-CD1 3.28Å; H1392-I1396 VanDerWaalsContact O-CB 3.31Å; H1392-I1396 WeakPolarHBondContact O-CB 3.49Å; H1392-I1396 PolarHBondContact O-N 3.1Å; H1392-L1401 WeakPolarHBondContact CE1-CD1 3.44Å; H1392-L1401 WeakPolarHBondContact NE2-CD1 3.1Å |
| 1393 | T | 59.9 | Low | 59.8 | Low | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -79.8 | -25.6 | 174 | 49.1 | 0 | 0 | 0 | 0 | 113.6 | S1221 L1389 I1390 Q1391 G1397 V1600 | S1221-T1393 PolarHBondContact OG-O 2.88Å; L1389-T1393 WeakPolarHBondContact O-CB 3.37Å; L1389-T1393 WeakPolarHBondContact O-CG2 3.41Å; L1389-T1393 PolarHBondContact O-N 3.4Å; L1389-T1393 PolarHBondContact O-OG1 3.15Å; I1390-T1393 WeakPolarHBondContact CA-OG1 3.28Å; I1390-T1393 PolarHBondContact O-N 2.68Å; I1390-T1393 PolarHBondContact O-OG1 2.95Å; Q1391-T1393 VanDerWaalsContact C-N 3.31Å; Q1391-T1393 PolarHBondContact O-N 3.07Å; T1393-G1397 PolarHBondContact O-N 2.85Å; T1393-V1600 HydrophobicContact CG2-CG1 3.62Å |
| 1394 | S | 57.3 | Low | 59.2 | Low | 6 Ų | 6 | 14.3 Ų | 14.3 | 4% | 0.042 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66.6 | -45.5 | 167.5 | 80.3 | 0 | 0 | 0 | 0 | 110.7 | I1390 Q1391 I1396 G1397 L1398 | I1390-S1394 PolarHBondContact O-N 3.38Å; Q1391-S1394 PolarHBondContact O-N 3Å; Q1391-S1394 PolarHBondContact O-OG 3.08Å; S1394-I1396 VanDerWaalsContact C-N 3.32Å; S1394-I1396 PolarHBondContact O-N 3.37Å; S1394-G1397 PolarHBondContact O-N 3.14Å; S1394-L1398 CarbonylContact O-C 3.04Å; S1394-L1398 PolarHBondContact O-N 3.17Å |
| 1395 | L | 48.4 | Very low | 59.2 | Low | 45 Ų | 45 | 11.2 Ų | 11.2 | 24% | 0.236 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -67.2 | -27.2 | 176.2 | -69 | 174.4 | 0 | 0 | 0 | 113.3 | Q1391 G1399 S1400 L1401 | Q1391-L1395 HydrophobicContact CG-CD1 4.05Å; Q1391-L1395 VanDerWaalsContact O-CB 3.26Å; Q1391-L1395 WeakPolarHBondContact O-CB 3.47Å; Q1391-L1395 WeakPolarHBondContact O-CD1 3.27Å; Q1391-L1395 WeakPolarHBondContact O-CG 3.29Å; Q1391-L1395 PolarHBondContact O-N 3.46Å; L1395-G1399 CarbonylContact O-C 3.47Å; L1395-G1399 VanDerWaalsContact O-C 3.29Å; L1395-G1399 WeakPolarHBondContact O-CA 3.24Å; L1395-G1399 PolarHBondContact O-N 3.17Å; L1395-S1400 VanDerWaalsContact CB-OG 3.27Å; L1395-S1400 WeakPolarHBondContact CB-OG 3.4Å; L1395-S1400 WeakPolarHBondContact CD2-OG 3.44Å; L1395-S1400 PolarHBondContact O-N 3.04Å; L1395-L1401 PolarHBondContact O-N 3.07Å |
| 1396 | I | 42.6 | Very low | 59.2 | Low | 10 Ų | 10 | 12.6 Ų | 12.6 | 5% | 0.051 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -76.7 | -59.9 | 168.6 | -95.9 | 167.4 | 0 | 0 | 0 | 110.1 | L1256 H1392 S1394 L1398 L1401 I1443 | L1256-I1396 HydrophobicContact CD1-CD1 3.42Å; L1256-I1396 VanDerWaalsContact CD1-CD1 3.42Å; L1256-I1396 HydrophobicContact CG-CD1 4.33Å; H1392-I1396 WeakPolarHBondContact ND1-CD1 3.28Å; H1392-I1396 VanDerWaalsContact O-CB 3.31Å; H1392-I1396 WeakPolarHBondContact O-CB 3.49Å; H1392-I1396 PolarHBondContact O-N 3.1Å; S1394-I1396 VanDerWaalsContact C-N 3.32Å; S1394-I1396 PolarHBondContact O-N 3.37Å; I1396-L1398 PolarHBondContact O-N 3.1Å; I1396-L1401 HydrophobicContact CG1-CB 4.33Å; I1396-I1443 HydrophobicContact CB-CG2 4.19Å; I1396-I1443 HydrophobicContact CG1-CG2 4.09Å; I1396-I1443 HydrophobicContact CG2-CB 4.41Å; I1396-I1443 HydrophobicContact CG2-CD1 3.87Å; I1396-I1443 HydrophobicContact CG2-CG1 4Å; I1396-I1443 HydrophobicContact CG2-CG2 3.57Å; I1396-I1443 WeakPolarHBondContact O-CG1 3.2Å |
| 1397 | G | 42.5 | Very low | 59.1 | Low | 6 Ų | 6 | 12.6 Ų | 12.6 | 6% | 0.062 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64.9 | -37.6 | -167 | 0 | 0 | 0 | 0 | 0 | 113.9 | T1393 S1394 | T1393-G1397 PolarHBondContact O-N 2.85Å; S1394-G1397 PolarHBondContact O-N 3.14Å |
| 1398 | L | 40 | Very low | 59.6 | Low | 19 Ų | 19 | 14.1 Ų | 14.1 | 10% | 0.099 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -141.1 | 36.2 | 179.2 | -95.4 | 158.5 | 0 | 0 | 0 | 113.3 | Y1059 P1061 N1220 S1394 I1396 I1404 | Y1059-L1398 WeakPolarHBondContact O-CD1 3.3Å; P1061-L1398 HydrophobicContact CB-CB 4.02Å; P1061-L1398 HydrophobicContact CB-CD1 4.34Å; P1061-L1398 HydrophobicContact CG-CB 4.16Å; N1220-L1398 HydrophobicContact CB-CD1 4.36Å; S1394-L1398 CarbonylContact O-C 3.04Å; S1394-L1398 PolarHBondContact O-N 3.17Å; I1396-L1398 PolarHBondContact O-N 3.1Å; L1398-I1404 HydrophobicContact CD2-CD1 4.29Å |
| 1399 | G | 43.6 | Very low | 60.2 | Low | 10 Ų | 10 | 13.6 Ų | 13.6 | 10% | 0.103 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 103.3 | 101.9 | 148.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | L1395 P1473 | L1395-G1399 CarbonylContact O-C 3.47Å; L1395-G1399 VanDerWaalsContact O-C 3.29Å; L1395-G1399 WeakPolarHBondContact O-CA 3.24Å; L1395-G1399 PolarHBondContact O-N 3.17Å; G1399-P1473 WeakPolarHBondContact O-CD 3.45Å; G1399-P1473 WeakPolarHBondContact O-CG 3.41Å |
| 1400 | S | 46.1 | Very low | 60.6 | Low | 12 Ų | 12 | 16.6 Ų | 16.6 | 8% | 0.084 | 9% | 0.092 | C | C | . | . | S | Bend | -144.3 | -32.4 | 127 | 62.3 | 0 | 0 | 0 | 0 | 108.3 | L1395 G1402 K1471 | L1395-S1400 VanDerWaalsContact CB-OG 3.27Å; L1395-S1400 WeakPolarHBondContact CB-OG 3.4Å; L1395-S1400 WeakPolarHBondContact CD2-OG 3.44Å; L1395-S1400 PolarHBondContact O-N 3.04Å; S1400-G1402 PolarHBondContact O-N 3.25Å; S1400-K1471 WeakPolarHBondContact CA-O 3.33Å; S1400-K1471 WeakPolarHBondContact CB-O 3.45Å | |
| 1401 | L | 42.5 | Very low | 60.9 | Low | 11 Ų | 11 | 19.2 Ų | 19.2 | 6% | 0.058 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -95.3 | 70.6 | 165.9 | -62.8 | 175.2 | 0 | 0 | 0 | 109.3 | H1392 L1395 I1396 L1444 P1446 | H1392-L1401 WeakPolarHBondContact CE1-CD1 3.44Å; H1392-L1401 WeakPolarHBondContact NE2-CD1 3.1Å; L1395-L1401 PolarHBondContact O-N 3.07Å; I1396-L1401 HydrophobicContact CG1-CB 4.33Å; L1401-L1444 CarbonylContact C-O 3.08Å; L1401-L1444 WeakPolarHBondContact CA-O 3.39Å; L1401-L1444 PolarHBondContact O-N 2.74Å; L1401-L1444 VanDerWaalsContact O-N 3.12Å; L1401-P1446 HydrophobicContact CD2-CB 4.43Å; L1401-P1446 HydrophobicContact CD2-CG 3.76Å |
| 1402 | G | 52.8 | Low | 61.6 | Low | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175 | 174.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S1400 M1442 L1444 I1474 | S1400-G1402 PolarHBondContact O-N 3.25Å; G1402-M1442 CarbonylContact C-O 3.32Å; G1402-M1442 WeakPolarHBondContact CA-O 3.38Å; G1402-L1444 PolarHBondContact N-O 3.45Å; G1402-I1474 PolarHBondContact O-N 3.14Å |
| 1403 | L | 60.5 | Low | 62.5 | Low | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 115 | 178.4 | 166.7 | 65.7 | 0 | 0 | 0 | 108.3 | F1440 S1441 M1442 L1444 F1451 I1465 I1474 H1476 F1478 | L1403-F1440 HydrophobicContact CD2-CE2 3.8Å; L1403-F1440 HydrophobicContact CD2-CZ 3.97Å; L1403-F1440 HydrophobicContact CG-CE2 4.13Å; L1403-F1440 HydrophobicContact CG-CZ 4.38Å; L1403-S1441 CarbonylContact O-C 3.52Å; L1403-S1441 WeakPolarHBondContact O-CA 3.43Å; L1403-M1442 PolarHBondContact N-O 2.89Å; L1403-M1442 PolarHBondContact O-N 3.24Å; L1403-L1444 HydrophobicContact CB-CD1 3.51Å; L1403-L1444 HydrophobicContact CD2-CD1 4.38Å; L1403-F1451 HydrophobicContact CD2-CD1 4.23Å; L1403-F1451 HydrophobicContact CD2-CD2 4.01Å; L1403-F1451 HydrophobicContact CD2-CE1 3.77Å; L1403-F1451 HydrophobicContact CD2-CE2 3.52Å; L1403-F1451 HydrophobicContact CD2-CG 4.35Å; L1403-F1451 HydrophobicContact CD2-CZ 3.41Å; L1403-F1451 VanDerWaalsContact CD2-CZ 3.41Å; L1403-I1465 HydrophobicContact CD1-CD1 3.7Å; L1403-I1465 HydrophobicContact CD2-CD1 4.15Å; L1403-I1474 WeakPolarHBondContact CD1-O 3.22Å; L1403-H1476 HydrophobicContact CD1-CB 3.58Å; L1403-F1478 HydrophobicContact CD1-CE2 4.12Å; L1403-F1478 HydrophobicContact CD1-CZ 4.38Å; L1403-F1478 HydrophobicContact CD2-CE2 3.98Å; L1403-F1478 HydrophobicContact CD2-CZ 3.87Å; L1403-F1478 HydrophobicContact CG-CE2 4.45Å |
| 1404 | I | 63.3 | Low | 63.4 | Low | 9 Ų | 9 | 23 Ų | 23 | 5% | 0.046 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 98.2 | 164.1 | -62.7 | -177.9 | 0 | 0 | 0 | 106.4 | L1398 F1440 P1473 I1474 Y1475 H1476 | L1398-I1404 HydrophobicContact CD2-CD1 4.29Å; I1404-F1440 CarbonylContact C-O 3.31Å; I1404-P1473 HydrophobicContact CB-CB 4.38Å; I1404-P1473 HydrophobicContact CD1-CB 3.52Å; I1404-P1473 HydrophobicContact CD1-CG 3.76Å; I1404-P1473 HydrophobicContact CG1-CB 3.8Å; I1404-I1474 PolarHBondContact N-O 2.83Å; I1404-Y1475 HydrophobicContact CB-CD1 3.79Å; I1404-Y1475 HydrophobicContact CB-CE1 3.95Å; I1404-Y1475 HydrophobicContact CD1-CD1 4.45Å; I1404-Y1475 HydrophobicContact CD1-CE1 3.77Å; I1404-Y1475 HydrophobicContact CG1-CE1 4.44Å; I1404-Y1475 HydrophobicContact CG2-CD1 3.69Å; I1404-Y1475 HydrophobicContact CG2-CE1 3.74Å; I1404-Y1475 VanDerWaalsContact O-CA 3.28Å; I1404-Y1475 WeakPolarHBondContact O-CA 3.2Å; I1404-H1476 PolarHBondContact O-N 3.45Å |
| 1405 | G | 69.2 | Low | 64.1 | Low | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 136.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | H1439 F1440 H1476 | G1405-H1439 CarbonylContact O-C 3.57Å; G1405-F1440 VanDerWaalsContact CA-CE1 3.47Å; G1405-F1440 PolarHBondContact N-O 2.81Å; G1405-F1440 WeakPolarHBondContact O-CD1 3.47Å; G1405-F1440 PolarHBondContact O-N 3.32Å; G1405-F1440 VanDerWaalsContact O-O 3.1Å; G1405-H1476 WeakPolarHBondContact CA-O 3.15Å |
| 1406 | H | 76.8 | Confident | 65 | Low | 33 Ų | 33 | 22.1 Ų | 22.1 | 15% | 0.153 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 122.9 | 156.9 | -56.4 | -112.1 | 0 | 0 | 0 | 107.9 | R1408 G1438 H1439 H1476 V1477 F1478 | H1406-R1408 HydrophobicContact CB-CG 4.32Å; H1406-G1438 CarbonylContact C-O 2.84Å; H1406-G1438 WeakPolarHBondContact CA-O 3.33Å; H1406-H1439 AromaticContact CE1-CD2 3.1Å; H1406-H1439 PolarHBondContact CE1-CD2 2.69Å; H1406-H1439 AromaticContact CE1-NE2 3.15Å; H1406-H1439 PolarHBondContact CE1-NE2 2.93Å; H1406-H1439 AromaticContact ND1-CD2 3.12Å; H1406-H1439 PolarHBondContact ND1-CD2 3Å; H1406-H1439 AromaticContact ND1-CE1 3.96Å; H1406-H1439 AromaticContact ND1-CG 3.95Å; H1406-H1439 AromaticContact ND1-NE2 3.13Å; H1406-H1439 PolarHBondContact ND1-NE2 3.3Å; H1406-H1439 VanDerWaalsContact ND1-NE2 3.13Å; H1406-H1476 PolarHBondContact N-O 3.38Å; H1406-V1477 HydrophobicContact CB-CG1 4.42Å; H1406-V1477 HydrophobicContact CB-CG2 4.43Å; H1406-V1477 CarbonylContact O-C 3.13Å; H1406-V1477 WeakPolarHBondContact O-CA 3.24Å; H1406-F1478 PolarHBondContact O-N 3.24Å |
| 1407 | V | 81.7 | Confident | 66 | Low | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 127 | 173.1 | -157.8 | 0 | 0 | 0 | 0 | 110.4 | I1415 V1418 I1420 G1438 F1440 L1453 F1478 M1480 | V1407-I1415 HydrophobicContact CG1-CD1 4.1Å; V1407-I1415 PolarHBondContact O-N 2.91Å; V1407-V1418 HydrophobicContact CB-CB 4.12Å; V1407-V1418 HydrophobicContact CB-CG1 4.44Å; V1407-V1418 HydrophobicContact CB-CG2 3.88Å; V1407-V1418 HydrophobicContact CG1-CB 4.15Å; V1407-V1418 HydrophobicContact CG1-CG1 4.01Å; V1407-V1418 HydrophobicContact CG1-CG2 3.81Å; V1407-V1418 HydrophobicContact CG2-CB 3.97Å; V1407-V1418 HydrophobicContact CG2-CG1 4.2Å; V1407-V1418 HydrophobicContact CG2-CG2 4.3Å; V1407-I1420 HydrophobicContact CG2-CD1 4.12Å; V1407-I1420 HydrophobicContact CG2-CG1 4.14Å; V1407-G1438 PolarHBondContact N-O 3.46Å; V1407-F1440 HydrophobicContact CG2-CD1 3.86Å; V1407-F1440 HydrophobicContact CG2-CE1 3.6Å; V1407-L1453 HydrophobicContact CB-CD2 4.19Å; V1407-L1453 HydrophobicContact CG1-CD2 3.53Å; V1407-L1453 HydrophobicContact CG2-CD2 3.53Å; V1407-F1478 HydrophobicContact CG1-CB 4.09Å; V1407-M1480 HydrophobicContact CG1-CG 3.87Å; V1407-M1480 HydrophobicContact CG1-SD 3.81Å |
| 1408 | R | 83.3 | Confident | 67.2 | Low | 50 Ų | 50 | 26.8 Ų | 26.8 | 19% | 0.189 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | -179.4 | -179.2 | -37 | -174.4 | 163.7 | -149.3 | 1.4 | 110.4 | H1406 N1412 Q1413 P1414 I1415 V1477 F1478 Y1479 M1480 N1569 | H1406-R1408 HydrophobicContact CB-CG 4.32Å; R1408-N1412 PolarHBondContact NH1-O 3.07Å; R1408-Q1413 WeakPolarHBondContact CB-O 3.31Å; R1408-Q1413 WeakPolarHBondContact CD-O 3.15Å; R1408-Q1413 VanDerWaalsContact CG-O 3.24Å; R1408-Q1413 WeakPolarHBondContact CG-O 3.44Å; R1408-P1414 HydrophobicContact CG-CB 4.38Å; R1408-I1415 VanDerWaalsContact CA-CD1 3.48Å; R1408-I1415 WeakPolarHBondContact O-CD1 3.36Å; R1408-V1477 HydrophobicContact CB-CG1 4.27Å; R1408-V1477 VanDerWaalsContact CD-CG1 3.48Å; R1408-V1477 HydrophobicContact CG-CG1 3.7Å; R1408-F1478 CarbonylContact C-O 3.59Å; R1408-F1478 WeakPolarHBondContact CA-O 3.3Å; R1408-F1478 PolarHBondContact N-O 3.21Å; R1408-F1478 CarbonylContact O-C 3.56Å; R1408-Y1479 HydrophobicContact CB-CD1 4.19Å; R1408-Y1479 HydrophobicContact CB-CE1 4.19Å; R1408-Y1479 CarbonylContact O-C 3.17Å; R1408-Y1479 VanDerWaalsContact O-CA 3.23Å; R1408-Y1479 WeakPolarHBondContact O-CA 3.46Å; R1408-M1480 PolarHBondContact O-N 3.33Å; R1408-N1569 HydrophobicContact CB-CB 4.32Å; R1408-N1569 WeakPolarHBondContact CB-ND2 3.18Å |
| 1409 | D | 82.7 | Confident | 68.5 | Low | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | trans | -117 | -100.3 | -179 | 63.5 | 98.7 | 0 | 0 | 0 | 117.8 | I1415 Y1458 Y1479 M1480 N1569 S1570 D1571 | D1409-I1415 HydrophobicContact CB-CD1 4.12Å; D1409-Y1458 HydrophobicContact CB-CE1 4Å; D1409-Y1458 HydrophobicContact CB-CE2 3.85Å; D1409-Y1458 VanDerWaalsContact CB-CZ 3.43Å; D1409-Y1458 VanDerWaalsContact CB-OH 3.32Å; D1409-Y1458 WeakPolarHBondContact CB-OH 3.15Å; D1409-Y1458 PolarHBondContact OD2-OH 2.98Å; D1409-Y1479 CarbonylContact O-C 3.57Å; D1409-Y1479 WeakPolarHBondContact O-CA 3.47Å; D1409-Y1479 WeakPolarHBondContact O-CB 3.27Å; D1409-Y1479 WeakPolarHBondContact O-CD1 3.35Å; D1409-M1480 CarbonylContact C-O 3.34Å; D1409-M1480 WeakPolarHBondContact CA-O 3.45Å; D1409-M1480 HydrophobicContact CB-CB 4.46Å; D1409-M1480 WeakPolarHBondContact CB-O 3.49Å; D1409-N1569 WeakPolarHBondContact CA-OD1 3.32Å; D1409-N1569 VanDerWaalsContact CG-C 3.48Å; D1409-N1569 PolarHBondContact N-OD1 3.49Å; D1409-N1569 VanDerWaalsContact N-OD1 3.12Å; D1409-N1569 WeakPolarHBondContact OD2-CA 2.94Å; D1409-N1569 WeakPolarHBondContact OD2-CB 2.26Å; D1409-S1570 VanDerWaalsContact CG-C 3.47Å; D1409-S1570 VanDerWaalsContact OD1-C 3.28Å; D1409-S1570 PolarHBondContact OD1-N 3.08Å; D1409-S1570 VanDerWaalsContact OD1-N 3.14Å; D1409-S1570 VanDerWaalsContact OD2-C 3.27Å; D1409-S1570 PolarHBondContact OD2-N 2.91Å; D1409-D1571 PolarHBondContact OD2-N 2.61Å | ||
| 1410 | S | 80.8 | Confident | 69.7 | Low | 68 Ų | 68 | 27.9 Ų | 27.9 | 48% | 0.476 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -121.5 | -0.3 | -164.4 | 52.9 | 0 | 0 | 0 | 0 | 117 | N1569 | S1410-N1569 PolarHBondContact N-OD1 2.89Š|
| 1411 | N | 80 | Confident | 70.7 | Confident | 55 Ų | 55 | 30 Ų | 30 | 29% | 0.294 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -154.7 | 23.5 | -165.7 | -78.1 | -38.9 | 0 | 0 | 0 | 117.7 | H1563 N1568 N1569 | N1411-H1563 HydrophobicContact CB-CB 4.2Å; N1411-H1563 WeakPolarHBondContact CB-ND1 2.25Å; N1411-H1563 VanDerWaalsContact CG-CD2 3.42Å; N1411-H1563 VanDerWaalsContact CG-NE2 3.32Å; N1411-H1563 CarbonylContact O-C 3.45Å; N1411-H1563 VanDerWaalsContact O-C 3.26Å; N1411-H1563 WeakPolarHBondContact O-CB 3.3Å; N1411-H1563 PolarHBondContact OD1-CD2 2.9Å; N1411-H1563 PolarHBondContact OD1-NE2 3.46Å; N1411-N1568 VanDerWaalsContact CB-O 3.24Å; N1411-N1568 WeakPolarHBondContact CB-O 3.45Å; N1411-N1568 CarbonylContact O-C 3.53Å; N1411-N1569 WeakPolarHBondContact CA-OD1 3.45Å; N1411-N1569 PolarHBondContact N-OD1 3.49Å; N1411-N1569 PolarHBondContact O-N 3.28Å |
| 1412 | N | 77.9 | Confident | 71.9 | Confident | 60 Ų | 60 | 29.7 Ų | 29.7 | 32% | 0.321 | 15% | 0.147 | S | C | . | . | S | Bend | trans | 68 | 17.9 | 170 | -135.6 | 43.2 | 0 | 0 | 0 | 128.9 | R1408 Y1479 H1563 V1564 N1569 | R1408-N1412 PolarHBondContact NH1-O 3.07Å; N1412-Y1479 PolarHBondContact OD1-OH 2.88Å; N1412-H1563 VanDerWaalsContact CB-O 3.27Å; N1412-H1563 WeakPolarHBondContact CB-O 3.39Å; N1412-V1564 HydrophobicContact CB-CG2 3.81Å; N1412-V1564 WeakPolarHBondContact ND2-CG2 3.48Å; N1412-N1569 VanDerWaalsContact C-ND2 3.29Å; N1412-N1569 VanDerWaalsContact CA-CG 3.41Å; N1412-N1569 WeakPolarHBondContact CA-ND2 3.47Å; N1412-N1569 PolarHBondContact N-ND2 3.35Å; N1412-N1569 PolarHBondContact N-OD1 2.69Å |
| 1413 | Q | 80.6 | Confident | 72.2 | Confident | 48 Ų | 48 | 32.6 Ų | 32.6 | 22% | 0.224 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -104.9 | -164.8 | 159.6 | -142.8 | 143.3 | -79.9 | 0 | 0 | 112.4 | R1408 D1567 N1568 N1569 | R1408-Q1413 WeakPolarHBondContact CB-O 3.31Å; R1408-Q1413 WeakPolarHBondContact CD-O 3.15Å; R1408-Q1413 VanDerWaalsContact CG-O 3.24Å; R1408-Q1413 WeakPolarHBondContact CG-O 3.44Å; Q1413-D1567 VanDerWaalsContact CD-C 3.49Å; Q1413-D1567 PolarHBondContact NE2-OD1 3.47Å; Q1413-N1568 VanDerWaalsContact CD-N 3.33Å; Q1413-N1569 HydrophobicContact CB-CB 4.45Å; Q1413-N1569 PolarHBondContact N-ND2 2.79Å; Q1413-N1569 WeakPolarHBondContact O-CB 3.25Å; Q1413-N1569 PolarHBondContact O-ND2 3.29Å |
| 1414 | P | 77.9 | Confident | 72.1 | Confident | 34 Ų | 34 | 38 Ų | 38 | 22% | 0.221 | 18% | 0.184 | C | C | . | . | trans | -121.3 | 151.2 | -173.4 | 41.2 | -30.4 | 0 | 0 | 0 | 119.3 | R1408 N1437 | R1408-P1414 HydrophobicContact CG-CB 4.38Å; P1414-N1437 WeakPolarHBondContact CB-O 3.49Å; P1414-N1437 HydrophobicContact CG-CB 4.48Å; P1414-N1437 WeakPolarHBondContact CG-O 3.03Å | ||
| 1415 | I | 72.6 | Confident | 71.7 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -95.2 | 125.4 | -179.9 | -55.7 | 157.2 | 0 | 0 | 0 | 112.3 | V1407 R1408 D1409 V1418 S1434 G1438 Y1458 M1480 D1571 L1574 | V1407-I1415 HydrophobicContact CG1-CD1 4.1Å; V1407-I1415 PolarHBondContact O-N 2.91Å; R1408-I1415 VanDerWaalsContact CA-CD1 3.48Å; R1408-I1415 WeakPolarHBondContact O-CD1 3.36Å; D1409-I1415 HydrophobicContact CB-CD1 4.12Å; I1415-V1418 HydrophobicContact CB-CG2 3.97Å; I1415-V1418 HydrophobicContact CG2-CG2 3.54Å; I1415-S1434 PolarHBondContact O-OG 2.96Å; I1415-S1434 VanDerWaalsContact O-OG 3.08Å; I1415-G1438 WeakPolarHBondContact O-CA 3.4Å; I1415-Y1458 HydrophobicContact CD1-CD2 3.73Å; I1415-Y1458 HydrophobicContact CD1-CE2 3.33Å; I1415-Y1458 HydrophobicContact CG1-CE2 3.87Å; I1415-M1480 HydrophobicContact CD1-CB 4.13Å; I1415-M1480 HydrophobicContact CD1-CG 4.14Å; I1415-M1480 HydrophobicContact CD1-SD 4.26Å; I1415-D1571 VanDerWaalsContact CA-OD1 3.29Å; I1415-D1571 WeakPolarHBondContact CA-OD1 3.19Å; I1415-D1571 WeakPolarHBondContact CG1-OD1 3.39Å; I1415-D1571 PolarHBondContact N-OD1 3.32Å; I1415-L1574 HydrophobicContact CG2-CB 3.72Å; I1415-L1574 HydrophobicContact CG2-CD1 3.84Å; I1415-L1574 HydrophobicContact CG2-CD2 3.31Å; I1415-L1574 HydrophobicContact CG2-CG 3.73Å | ||
| 1416 | P | 68.2 | Low | 70.5 | Confident | 34 Ų | 34 | 48.1 Ų | 48.1 | 22% | 0.221 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -81.4 | 149.3 | 179.6 | 33.7 | -36.3 | 0 | 0 | 0 | 114 | V1418 D1571 L1574 | P1416-V1418 PolarHBondContact O-N 2.76Å; P1416-D1571 VanDerWaalsContact CD-OD2 3.29Å; P1416-D1571 WeakPolarHBondContact CD-OD2 3.42Å; P1416-L1574 VanDerWaalsContact O-CD2 3.24Å; P1416-L1574 WeakPolarHBondContact O-CD2 3.23Å |
| 1417 | W | 63.5 | Low | 69.1 | Low | 113 Ų | 113 | 47.3 Ų | 47.3 | 43% | 0.428 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 61.7 | 32.5 | 167.1 | -48.7 | 119.4 | 0 | 0 | 0 | 116.6 | S1434 Q1436 L1578 | W1417-S1434 WeakPolarHBondContact CA-O 2.9Å; W1417-S1434 PolarHBondContact N-O 2.83Å; W1417-S1434 PolarHBondContact N-OG 2.86Å; W1417-Q1436 HydrophobicContact CZ2-CB 4.18Å; W1417-L1578 HydrophobicContact CB-CD1 3.93Å; W1417-L1578 WeakPolarHBondContact O-CD1 3.38Å; W1417-L1578 WeakPolarHBondContact O-CD2 2.87Å |
| 1418 | V | 68 | Low | 67.1 | Low | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -74 | 133.6 | -179.3 | -178.3 | 0 | 0 | 0 | 0 | 112.6 | V1407 I1415 P1416 I1420 S1433 S1434 L1453 A1455 M1480 L1574 | V1407-V1418 HydrophobicContact CB-CB 4.12Å; V1407-V1418 HydrophobicContact CB-CG1 4.44Å; V1407-V1418 HydrophobicContact CB-CG2 3.88Å; V1407-V1418 HydrophobicContact CG1-CB 4.15Å; V1407-V1418 HydrophobicContact CG1-CG1 4.01Å; V1407-V1418 HydrophobicContact CG1-CG2 3.81Å; V1407-V1418 HydrophobicContact CG2-CB 3.97Å; V1407-V1418 HydrophobicContact CG2-CG1 4.2Å; V1407-V1418 HydrophobicContact CG2-CG2 4.3Å; I1415-V1418 HydrophobicContact CB-CG2 3.97Å; I1415-V1418 HydrophobicContact CG2-CG2 3.54Å; P1416-V1418 PolarHBondContact O-N 2.76Å; V1418-I1420 HydrophobicContact CG1-CG1 4.43Å; V1418-I1420 VanDerWaalsContact O-CD1 3.24Å; V1418-I1420 WeakPolarHBondContact O-CD1 3.33Å; V1418-S1433 CarbonylContact O-C 3.6Å; V1418-S1433 VanDerWaalsContact O-CA 3.28Å; V1418-S1433 WeakPolarHBondContact O-CA 3.33Å; V1418-S1434 WeakPolarHBondContact CB-OG 3.26Å; V1418-S1434 PolarHBondContact N-OG 2.79Å; V1418-S1434 PolarHBondContact O-N 3.05Å; V1418-L1453 HydrophobicContact CG1-CB 4.21Å; V1418-L1453 HydrophobicContact CG1-CD2 4.24Å; V1418-A1455 HydrophobicContact CB-CB 4.11Å; V1418-A1455 HydrophobicContact CG1-CB 4Å; V1418-A1455 HydrophobicContact CG2-CB 4.21Å; V1418-M1480 HydrophobicContact CG1-SD 4.05Å; V1418-M1480 HydrophobicContact CG2-SD 4.49Å; V1418-L1574 HydrophobicContact CG2-CD1 3.96Å; V1418-L1574 HydrophobicContact CG2-CD2 3.95Å | ||
| 1419 | R | 66.7 | Low | 65.1 | Low | 52 Ų | 52 | 48 Ų | 48 | 20% | 0.196 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 119.1 | 170.4 | -47.9 | -175.2 | -179.5 | 171 | 4.2 | 109.4 | T1431 L1453 R1454 L1578 H1580 R1581 | R1419-T1431 WeakPolarHBondContact CB-OG1 3.06Å; R1419-L1453 WeakPolarHBondContact O-CA 3.38Å; R1419-R1454 CarbonylContact C-O 3.47Å; R1419-R1454 VanDerWaalsContact CA-O 3.3Å; R1419-R1454 WeakPolarHBondContact CA-O 2.85Å; R1419-R1454 WeakPolarHBondContact CB-O 2.91Å; R1419-R1454 PolarHBondContact N-O 2.99Å; R1419-R1454 CarbonylContact O-C 3.47Å; R1419-R1454 PolarHBondContact O-N 3.25Å; R1419-L1578 HydrophobicContact CG-CD2 4.17Å; R1419-H1580 PolarHBondContact NH2-O 2.93Å; R1419-R1581 PolarHBondContact NH2-O 2.84Å |
| 1420 | I | 68.7 | Low | 63.2 | Low | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 94.5 | 177.3 | -57.1 | 105.2 | 0 | 0 | 0 | 109.3 | V1407 V1418 T1431 F1440 F1451 L1453 | V1407-I1420 HydrophobicContact CG2-CD1 4.12Å; V1407-I1420 HydrophobicContact CG2-CG1 4.14Å; V1418-I1420 HydrophobicContact CG1-CG1 4.43Å; V1418-I1420 VanDerWaalsContact O-CD1 3.24Å; V1418-I1420 WeakPolarHBondContact O-CD1 3.33Å; I1420-T1431 WeakPolarHBondContact O-CB 3.28Å; I1420-T1431 WeakPolarHBondContact O-CG2 3.36Å; I1420-F1440 HydrophobicContact CB-CE2 4.31Å; I1420-F1440 HydrophobicContact CB-CZ 4.14Å; I1420-F1440 HydrophobicContact CD1-CB 4.21Å; I1420-F1440 HydrophobicContact CD1-CD1 3.41Å; I1420-F1440 VanDerWaalsContact CD1-CD1 3.41Å; I1420-F1440 HydrophobicContact CD1-CD2 4.08Å; I1420-F1440 HydrophobicContact CD1-CE1 3.57Å; I1420-F1440 HydrophobicContact CD1-CE2 4.23Å; I1420-F1440 HydrophobicContact CD1-CG 3.65Å; I1420-F1440 HydrophobicContact CD1-CZ 3.96Å; I1420-F1440 HydrophobicContact CG1-CD1 4Å; I1420-F1440 HydrophobicContact CG1-CE1 3.59Å; I1420-F1440 HydrophobicContact CG1-CE2 4.2Å; I1420-F1440 HydrophobicContact CG1-CG 4.44Å; I1420-F1440 HydrophobicContact CG1-CZ 3.68Å; I1420-F1440 HydrophobicContact CG2-CE1 4.46Å; I1420-F1440 HydrophobicContact CG2-CE2 3.9Å; I1420-F1440 HydrophobicContact CG2-CZ 3.68Å; I1420-F1451 HydrophobicContact CG2-CB 4.47Å; I1420-F1451 HydrophobicContact CG2-CD1 3.63Å; I1420-F1451 HydrophobicContact CG2-CE1 4.36Å; I1420-F1451 HydrophobicContact CG2-CG 4.4Å; I1420-L1453 HydrophobicContact CB-CG 4.23Å; I1420-L1453 HydrophobicContact CG1-CD2 3.72Å; I1420-L1453 HydrophobicContact CG1-CG 3.79Å; I1420-L1453 HydrophobicContact CG2-CD1 4.22Å; I1420-L1453 HydrophobicContact CG2-CG 4.04Å |
| 1421 | H | 66.5 | Low | 61.5 | Low | 55 Ų | 55 | 45.9 Ų | 45.9 | 26% | 0.255 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 134.7 | 179.5 | -174.3 | 59.1 | 0 | 0 | 0 | 111.2 | D1423 V1425 T1431 F1451 T1452 | H1421-D1423 IonicContact CD2-OD1 2.89Å; H1421-V1425 PolarHBondContact CE1-O 2.74Å; H1421-T1431 HydrophobicContact CB-CG2 4.16Å; H1421-F1451 CarbonylContact O-C 3.56Å; H1421-F1451 WeakPolarHBondContact O-CA 3.34Å; H1421-T1452 WeakPolarHBondContact CB-O 3.27Å; H1421-T1452 PolarHBondContact N-O 3.02Å; H1421-T1452 PolarHBondContact O-N 3.42Å |
| 1422 | L | 67.3 | Low | 60 | Low | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 115.7 | 164.4 | -167.9 | 76.6 | 0 | 0 | 0 | 108 | L1248 Y1424 V1425 S1430 Y1449 H1450 F1451 | L1248-L1422 HydrophobicContact CD2-CD2 3.37Å; L1422-Y1424 PolarHBondContact O-N 2.82Å; L1422-V1425 HydrophobicContact CB-CG2 4.07Å; L1422-V1425 HydrophobicContact CD2-CG2 3.85Å; L1422-V1425 HydrophobicContact CG-CG2 4.31Å; L1422-V1425 PolarHBondContact O-N 3.18Å; L1422-V1425 VanDerWaalsContact O-N 3.13Å; L1422-S1430 PolarHBondContact N-OG 3.07Å; L1422-Y1449 HydrophobicContact CD1-CD1 4.17Å; L1422-Y1449 HydrophobicContact CD1-CG 4.43Å; L1422-Y1449 HydrophobicContact CD2-CD1 4.37Å; L1422-H1450 WeakPolarHBondContact CD1-O 3.25Å; L1422-F1451 HydrophobicContact CD1-CD1 3.97Å; L1422-F1451 HydrophobicContact CD1-CE1 3.53Å; L1422-F1451 HydrophobicContact CD1-CE2 4.4Å; L1422-F1451 HydrophobicContact CD1-CZ 3.74Å |
| 1423 | D | 60.5 | Low | 58.7 | Low | 62 Ų | 62 | 43.6 Ų | 43.6 | 33% | 0.332 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -2.5 | -161.9 | -88.7 | 14.7 | 0 | 0 | 0 | 117.7 | H1421 H1450 T1452 | H1421-D1423 IonicContact CD2-OD1 2.89Å; D1423-H1450 PolarHBondContact N-O 2.9Å; D1423-H1450 IonicContact OD2-CE1 3.76Å; D1423-H1450 PolarHBondContact OD2-CE1 2.93Å; D1423-H1450 IonicContact OD2-CG 3.65Å; D1423-H1450 IonicContact OD2-ND1 2.74Å; D1423-H1450 PolarHBondContact OD2-ND1 3.37Å; D1423-T1452 WeakPolarHBondContact OD1-CB 3.1Å; D1423-T1452 PolarHBondContact OD1-OG1 3.11Å; D1423-T1452 PolarHBondContact OD2-OG1 2.03Å |
| 1424 | Y | 58.3 | Low | 57.4 | Low | 114 Ų | 114 | 41.3 Ų | 41.3 | 45% | 0.447 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | -4.8 | -174.3 | -49.5 | -79.7 | 0 | 0 | 0 | 114.6 | S1242 Y1244 L1422 H1450 | S1242-Y1424 WeakPolarHBondContact CB-O 3.32Å; S1242-Y1424 PolarHBondContact OG-O 3.21Å; Y1244-Y1424 HydrophobicContact CD1-CD1 4.4Å; Y1244-Y1424 HydrophobicContact CD1-CD2 4.46Å; Y1244-Y1424 AromaticContact CD1-CG 3.8Å; Y1244-Y1424 HydrophobicContact CD1-CG 3.8Å; Y1244-Y1424 HydrophobicContact CE1-CD1 4.35Å; Y1244-Y1424 AromaticContact CE1-CD2 3.93Å; Y1244-Y1424 HydrophobicContact CE1-CD2 3.93Å; Y1244-Y1424 AromaticContact CE1-CG 3.69Å; Y1244-Y1424 HydrophobicContact CE1-CG 3.69Å; Y1244-Y1424 HydrophobicContact CG-CG 4.4Å; L1422-Y1424 PolarHBondContact O-N 2.82Å; Y1424-H1450 HydrophobicContact CE2-CB 4.37Å |
| 1425 | V | 55 | Low | 56.3 | Low | 23 Ų | 23 | 40.9 Ų | 40.9 | 14% | 0.139 | 19% | 0.194 | C | C | . | . | trans | -96.1 | 131.7 | -176.8 | -171.6 | 0 | 0 | 0 | 0 | 109 | E1241 H1421 L1422 | E1241-V1425 WeakPolarHBondContact OE1-CA 3.11Å; E1241-V1425 WeakPolarHBondContact OE1-CG1 3.23Å; E1241-V1425 WeakPolarHBondContact OE2-CG1 3.37Å; H1421-V1425 PolarHBondContact CE1-O 2.74Å; L1422-V1425 HydrophobicContact CB-CG2 4.07Å; L1422-V1425 HydrophobicContact CD2-CG2 3.85Å; L1422-V1425 HydrophobicContact CG-CG2 4.31Å; L1422-V1425 PolarHBondContact O-N 3.18Å; L1422-V1425 VanDerWaalsContact O-N 3.13Å | ||
| 1426 | R | 44.4 | Very low | 55.6 | Low | 200 Ų | 200 | 47.3 Ų | 47.3 | 76% | 0.755 | 22% | 0.224 | S | C | * | . | trans | -85.9 | -36.5 | -174 | -101.2 | -169.6 | 177.4 | 178.6 | -1.9 | 113.3 | E1241 | E1241-R1426 PolarHBondContact OE1-N 2.76Š| ||
| 1427 | S | 45.8 | Very low | 55.3 | Low | 15 Ų | 15 | 48.7 Ų | 48.7 | 11% | 0.105 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -73.8 | 136.1 | 176.8 | 63.8 | 0 | 0 | 0 | 0 | 109.1 | E1241 L1429 S1430 | E1241-S1427 WeakPolarHBondContact OE2-CB 3.01Å; E1241-S1427 PolarHBondContact OE2-N 3.44Å; E1241-S1427 VanDerWaalsContact OE2-N 3.12Å; E1241-S1427 PolarHBondContact OE2-OG 3.06Å; S1427-L1429 PolarHBondContact O-N 2.74Å; S1427-L1429 VanDerWaalsContact O-N 3.16Å; S1427-L1429 WeakPolarHBondContact OG-CB 3.46Å; S1427-S1430 WeakPolarHBondContact O-CB 3.15Å; S1427-S1430 PolarHBondContact O-N 2.72Å; S1427-S1430 VanDerWaalsContact O-N 3.14Å |
| 1428 | E | 39.7 | Very low | 55.4 | Low | 53 Ų | 53 | 43.3 Ų | 43.3 | 25% | 0.248 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -69.9 | -3.1 | 169.9 | -63.5 | -163.7 | 157.9 | 0 | 0 | 111.9 | F1345 S1430 T1431 | F1345-E1428 WeakPolarHBondContact CD1-OE1 3.22Å; E1428-S1430 PolarHBondContact O-N 2.86Å; E1428-S1430 VanDerWaalsContact O-N 3.12Å; E1428-T1431 PolarHBondContact O-N 3.46Å |
| 1429 | L | 41.1 | Very low | 55.3 | Low | 11 Ų | 11 | 45 Ų | 45 | 6% | 0.058 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -51.2 | -27.7 | 162.1 | -60.7 | 168.2 | 0 | 0 | 0 | 112.2 | D1238 L1349 P1350 M1352 S1427 T1431 | D1238-L1429 VanDerWaalsContact OD2-CD1 3.24Å; D1238-L1429 WeakPolarHBondContact OD2-CD1 3.04Å; L1349-L1429 HydrophobicContact CB-CD2 3.41Å; L1349-L1429 VanDerWaalsContact CB-CD2 3.41Å; L1349-L1429 HydrophobicContact CB-CG 3.84Å; L1349-L1429 HydrophobicContact CD1-CG 4.39Å; P1350-L1429 WeakPolarHBondContact O-CD2 3.33Å; M1352-L1429 WeakPolarHBondContact CG-O 3.4Å; S1427-L1429 PolarHBondContact O-N 2.74Å; S1427-L1429 VanDerWaalsContact O-N 3.16Å; S1427-L1429 WeakPolarHBondContact OG-CB 3.46Å; L1429-T1431 PolarHBondContact O-N 3.29Å |
| 1430 | S | 42.9 | Very low | 55.3 | Low | 9 Ų | 9 | 43.6 Ų | 43.6 | 6% | 0.063 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -50.5 | -19.8 | 171.9 | -178 | 0 | 0 | 0 | 0 | 113.9 | L1422 S1427 E1428 M1442 | L1422-S1430 PolarHBondContact N-OG 3.07Å; S1427-S1430 WeakPolarHBondContact O-CB 3.15Å; S1427-S1430 PolarHBondContact O-N 2.72Å; S1427-S1430 VanDerWaalsContact O-N 3.14Å; E1428-S1430 PolarHBondContact O-N 2.86Å; E1428-S1430 VanDerWaalsContact O-N 3.12Å; S1430-M1442 WeakPolarHBondContact O-CE 3.4Å |
| 1431 | T | 46.4 | Very low | 55 | Low | 19 Ų | 19 | 46.2 Ų | 46.2 | 12% | 0.117 | 23% | 0.23 | C | C | . | . | trans | -125 | 92.4 | -173 | 112.1 | 0 | 0 | 0 | 0 | 109.8 | R1419 I1420 H1421 E1428 L1429 S1433 | R1419-T1431 WeakPolarHBondContact CB-OG1 3.06Å; I1420-T1431 WeakPolarHBondContact O-CB 3.28Å; I1420-T1431 WeakPolarHBondContact O-CG2 3.36Å; H1421-T1431 HydrophobicContact CB-CG2 4.16Å; E1428-T1431 PolarHBondContact O-N 3.46Å; L1429-T1431 PolarHBondContact O-N 3.29Å; T1431-S1433 PolarHBondContact O-N 3.32Å | ||
| 1432 | G | 48.9 | Very low | 54.7 | Low | 20 Ų | 20 | 44.4 Ų | 44.4 | 21% | 0.206 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -58.2 | 129.5 | 153 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||
| 1433 | S | 49.3 | Very low | 54.2 | Low | 48 Ų | 48 | 45.6 Ų | 45.6 | 34% | 0.336 | 23% | 0.228 | S | C | . | . | B | Isolated β-bridge | trans | -65.5 | 133.1 | 168.7 | 45.3 | 0 | 0 | 0 | 0 | 108.5 | V1418 T1431 | V1418-S1433 CarbonylContact O-C 3.6Å; V1418-S1433 VanDerWaalsContact O-CA 3.28Å; V1418-S1433 WeakPolarHBondContact O-CA 3.33Å; T1431-S1433 PolarHBondContact O-N 3.32Å |
| 1434 | S | 53.9 | Low | 54.2 | Low | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -56.8 | 144.5 | 177.7 | 66.1 | 0 | 0 | 0 | 0 | 110.7 | I1415 W1417 V1418 H1439 | I1415-S1434 PolarHBondContact O-OG 2.96Å; I1415-S1434 VanDerWaalsContact O-OG 3.08Å; W1417-S1434 WeakPolarHBondContact CA-O 2.9Å; W1417-S1434 PolarHBondContact N-O 2.83Å; W1417-S1434 PolarHBondContact N-OG 2.86Å; V1418-S1434 WeakPolarHBondContact CB-OG 3.26Å; V1418-S1434 PolarHBondContact N-OG 2.79Å; V1418-S1434 PolarHBondContact O-N 3.05Å; S1434-H1439 CarbonylContact C-O 3.59Å; S1434-H1439 WeakPolarHBondContact CA-O 3.48Å |
| 1435 | D | 55.6 | Low | 54 | Low | 25 Ų | 25 | 38.1 Ų | 38.1 | 13% | 0.134 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -61.5 | 173.1 | -177 | 96.2 | -32.7 | 0 | 0 | 0 | 111.7 | K1058 N1437 G1438 H1439 | K1058-D1435 IonicContact NZ-OD2 3.07Å; K1058-D1435 PolarHBondContact NZ-OD2 3.22Å; D1435-N1437 PolarHBondContact O-N 3.28Å; D1435-N1437 VanDerWaalsContact OD1-CA 3.26Å; D1435-N1437 WeakPolarHBondContact OD1-CA 3.35Å; D1435-N1437 WeakPolarHBondContact OD1-CB 3.45Å; D1435-N1437 PolarHBondContact OD1-N 3.08Å; D1435-N1437 PolarHBondContact OD2-ND2 3.19Å; D1435-G1438 PolarHBondContact O-N 2.9Å; D1435-G1438 PolarHBondContact OD1-N 3.38Å; D1435-G1438 VanDerWaalsContact OD1-N 3.16Å; D1435-H1439 PolarHBondContact N-O 2.63Å; D1435-H1439 WeakPolarHBondContact OD1-CB 3.42Å; D1435-H1439 IonicContact OD1-CG 2.75Å; D1435-H1439 PolarHBondContact OD1-N 3.25Å; D1435-H1439 IonicContact OD1-ND1 3.79Å; D1435-H1439 PolarHBondContact OD1-ND1 2.77Å; D1435-H1439 IonicContact OD2-ND1 3.51Å |
| 1436 | Q | 56.6 | Low | 54.1 | Low | 134 Ų | 134 | 39.4 Ų | 39.4 | 63% | 0.626 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -14.3 | 177.3 | 71.6 | -176.2 | 12.2 | 0 | 0 | 114.6 | W1417 | W1417-Q1436 HydrophobicContact CZ2-CB 4.18Š|
| 1437 | N | 62.5 | Low | 54.9 | Low | 64 Ų | 64 | 30.8 Ų | 30.8 | 34% | 0.342 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 20.2 | 176 | -47.2 | -65.3 | 0 | 0 | 0 | 112 | P1414 D1435 H1439 | P1414-N1437 WeakPolarHBondContact CB-O 3.49Å; P1414-N1437 HydrophobicContact CG-CB 4.48Å; P1414-N1437 WeakPolarHBondContact CG-O 3.03Å; D1435-N1437 PolarHBondContact O-N 3.28Å; D1435-N1437 VanDerWaalsContact OD1-CA 3.26Å; D1435-N1437 WeakPolarHBondContact OD1-CA 3.35Å; D1435-N1437 WeakPolarHBondContact OD1-CB 3.45Å; D1435-N1437 PolarHBondContact OD1-N 3.08Å; D1435-N1437 PolarHBondContact OD2-ND2 3.19Å; N1437-H1439 VanDerWaalsContact CB-CE1 3.47Å; N1437-H1439 WeakPolarHBondContact CB-CE1 3.49Å; N1437-H1439 WeakPolarHBondContact CB-ND1 3.24Å; N1437-H1439 PolarHBondContact O-CE1 2.61Å; N1437-H1439 PolarHBondContact O-N 2.69Å; N1437-H1439 PolarHBondContact O-ND1 3.26Å |
| 1438 | G | 66.3 | Low | 55.7 | Low | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 73.7 | 10.5 | 176 | 0 | 0 | 0 | 0 | 0 | 117.1 | H1406 V1407 I1415 D1435 | H1406-G1438 CarbonylContact C-O 2.84Å; H1406-G1438 WeakPolarHBondContact CA-O 3.33Å; V1407-G1438 PolarHBondContact N-O 3.46Å; I1415-G1438 WeakPolarHBondContact O-CA 3.4Å; D1435-G1438 PolarHBondContact O-N 2.9Å; D1435-G1438 PolarHBondContact OD1-N 3.38Å; D1435-G1438 VanDerWaalsContact OD1-N 3.16Å |
| 1439 | H | 65.6 | Low | 57.1 | Low | 36 Ų | 36 | 34 Ų | 34 | 17% | 0.167 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 143.5 | -179.1 | -55.1 | 74.2 | 0 | 0 | 0 | 112.1 | Y1059 G1405 H1406 S1434 D1435 N1437 | Y1059-H1439 HydrophobicContact CE1-CB 4.19Å; Y1059-H1439 AromaticContact CE1-CD2 3.9Å; Y1059-H1439 AromaticContact CZ-CD2 3.68Å; Y1059-H1439 PolarHBondContact OH-CD2 2.7Å; Y1059-H1439 PolarHBondContact OH-CE1 2.66Å; Y1059-H1439 PolarHBondContact OH-ND1 2.74Å; Y1059-H1439 PolarHBondContact OH-NE2 3.49Å; G1405-H1439 CarbonylContact O-C 3.57Å; H1406-H1439 AromaticContact CE1-CD2 3.1Å; H1406-H1439 PolarHBondContact CE1-CD2 2.69Å; H1406-H1439 AromaticContact CE1-NE2 3.15Å; H1406-H1439 PolarHBondContact CE1-NE2 2.93Å; H1406-H1439 AromaticContact ND1-CD2 3.12Å; H1406-H1439 PolarHBondContact ND1-CD2 3Å; H1406-H1439 AromaticContact ND1-CE1 3.96Å; H1406-H1439 AromaticContact ND1-CG 3.95Å; H1406-H1439 AromaticContact ND1-NE2 3.13Å; H1406-H1439 PolarHBondContact ND1-NE2 3.3Å; H1406-H1439 VanDerWaalsContact ND1-NE2 3.13Å; S1434-H1439 CarbonylContact C-O 3.59Å; S1434-H1439 WeakPolarHBondContact CA-O 3.48Å; D1435-H1439 PolarHBondContact N-O 2.63Å; D1435-H1439 WeakPolarHBondContact OD1-CB 3.42Å; D1435-H1439 IonicContact OD1-CG 2.75Å; D1435-H1439 PolarHBondContact OD1-N 3.25Å; D1435-H1439 IonicContact OD1-ND1 3.79Å; D1435-H1439 PolarHBondContact OD1-ND1 2.77Å; D1435-H1439 IonicContact OD2-ND1 3.51Å; N1437-H1439 VanDerWaalsContact CB-CE1 3.47Å; N1437-H1439 WeakPolarHBondContact CB-CE1 3.49Å; N1437-H1439 WeakPolarHBondContact CB-ND1 3.24Å; N1437-H1439 PolarHBondContact O-CE1 2.61Å; N1437-H1439 PolarHBondContact O-N 2.69Å; N1437-H1439 PolarHBondContact O-ND1 3.26Å |
| 1440 | F | 66.4 | Low | 58.6 | Low | 21 Ų | 21 | 35.6 Ų | 35.6 | 9% | 0.092 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 158.3 | 160.5 | 72 | -85.7 | 0 | 0 | 0 | 110.3 | L1403 I1404 G1405 V1407 I1420 M1442 F1478 | L1403-F1440 HydrophobicContact CD2-CE2 3.8Å; L1403-F1440 HydrophobicContact CD2-CZ 3.97Å; L1403-F1440 HydrophobicContact CG-CE2 4.13Å; L1403-F1440 HydrophobicContact CG-CZ 4.38Å; I1404-F1440 CarbonylContact C-O 3.31Å; G1405-F1440 VanDerWaalsContact CA-CE1 3.47Å; G1405-F1440 PolarHBondContact N-O 2.81Å; G1405-F1440 WeakPolarHBondContact O-CD1 3.47Å; G1405-F1440 PolarHBondContact O-N 3.32Å; G1405-F1440 VanDerWaalsContact O-O 3.1Å; V1407-F1440 HydrophobicContact CG2-CD1 3.86Å; V1407-F1440 HydrophobicContact CG2-CE1 3.6Å; I1420-F1440 HydrophobicContact CB-CE2 4.31Å; I1420-F1440 HydrophobicContact CB-CZ 4.14Å; I1420-F1440 HydrophobicContact CD1-CB 4.21Å; I1420-F1440 HydrophobicContact CD1-CD1 3.41Å; I1420-F1440 VanDerWaalsContact CD1-CD1 3.41Å; I1420-F1440 HydrophobicContact CD1-CD2 4.08Å; I1420-F1440 HydrophobicContact CD1-CE1 3.57Å; I1420-F1440 HydrophobicContact CD1-CE2 4.23Å; I1420-F1440 HydrophobicContact CD1-CG 3.65Å; I1420-F1440 HydrophobicContact CD1-CZ 3.96Å; I1420-F1440 HydrophobicContact CG1-CD1 4Å; I1420-F1440 HydrophobicContact CG1-CE1 3.59Å; I1420-F1440 HydrophobicContact CG1-CE2 4.2Å; I1420-F1440 HydrophobicContact CG1-CG 4.44Å; I1420-F1440 HydrophobicContact CG1-CZ 3.68Å; I1420-F1440 HydrophobicContact CG2-CE1 4.46Å; I1420-F1440 HydrophobicContact CG2-CE2 3.9Å; I1420-F1440 HydrophobicContact CG2-CZ 3.68Å; F1440-M1442 HydrophobicContact CD2-CB 4.46Å; F1440-M1442 HydrophobicContact CE2-CB 4.44Å; F1440-F1478 AromaticContact CE1-CD2 3.89Å; F1440-F1478 HydrophobicContact CE1-CD2 3.89Å; F1440-F1478 AromaticContact CE1-CE2 3.83Å; F1440-F1478 HydrophobicContact CE1-CE2 3.83Å; F1440-F1478 AromaticContact CZ-CD2 3.97Å; F1440-F1478 HydrophobicContact CZ-CD2 3.97Å; F1440-F1478 AromaticContact CZ-CE2 3.42Å; F1440-F1478 HydrophobicContact CZ-CE2 3.42Å; F1440-F1478 VanDerWaalsContact CZ-CE2 3.42Å; F1440-F1478 HydrophobicContact CZ-CZ 4.2Å |
| 1441 | S | 61.3 | Low | 60.4 | Low | 56 Ų | 56 | 35.2 Ų | 35.2 | 39% | 0.392 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 127.4 | 172 | 50.8 | 0 | 0 | 0 | 0 | 108.4 | L1403 | L1403-S1441 CarbonylContact O-C 3.52Å; L1403-S1441 WeakPolarHBondContact O-CA 3.43Å |
| 1442 | M | 60.9 | Low | 61.8 | Low | 17 Ų | 17 | 34.8 Ų | 34.8 | 8% | 0.084 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 129 | 176.7 | -173.6 | 175.6 | -69.7 | 0 | 0 | 110.4 | M1352 G1402 L1403 S1430 F1440 L1444 F1451 | M1352-M1442 HydrophobicContact SD-CG 4.09Å; G1402-M1442 CarbonylContact C-O 3.32Å; G1402-M1442 WeakPolarHBondContact CA-O 3.38Å; L1403-M1442 PolarHBondContact N-O 2.89Å; L1403-M1442 PolarHBondContact O-N 3.24Å; S1430-M1442 WeakPolarHBondContact O-CE 3.4Å; F1440-M1442 HydrophobicContact CD2-CB 4.46Å; F1440-M1442 HydrophobicContact CE2-CB 4.44Å; M1442-L1444 HydrophobicContact CG-CD2 4.08Å; M1442-L1444 HydrophobicContact CG-CG 4.17Å; M1442-L1444 HydrophobicContact SD-CD2 3.94Å; M1442-F1451 HydrophobicContact CE-CE1 4.34Å; M1442-F1451 HydrophobicContact SD-CE1 3.67Å; M1442-F1451 HydrophobicContact SD-CZ 4.25Å |
| 1443 | I | 57.1 | Low | 63.3 | Low | 30 Ų | 30 | 33.9 Ų | 33.9 | 15% | 0.154 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 127.6 | 173.3 | -57.8 | 170 | 0 | 0 | 0 | 108.5 | M1352 P1355 I1396 | M1352-I1443 HydrophobicContact CE-CB 4.26Å; M1352-I1443 HydrophobicContact CE-CD1 4.09Å; M1352-I1443 HydrophobicContact CE-CG1 4.3Å; P1355-I1443 HydrophobicContact CG-CD1 3.77Å; I1396-I1443 HydrophobicContact CB-CG2 4.19Å; I1396-I1443 HydrophobicContact CG1-CG2 4.09Å; I1396-I1443 HydrophobicContact CG2-CB 4.41Å; I1396-I1443 HydrophobicContact CG2-CD1 3.87Å; I1396-I1443 HydrophobicContact CG2-CG1 4Å; I1396-I1443 HydrophobicContact CG2-CG2 3.57Å; I1396-I1443 WeakPolarHBondContact O-CG1 3.2Å |
| 1444 | L | 59.8 | Low | 64.4 | Low | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | trans | -147.7 | 133.2 | -179.2 | -61.9 | 166.2 | 0 | 0 | 0 | 111 | L1401 G1402 L1403 M1442 Y1449 F1451 V1467 | L1401-L1444 CarbonylContact C-O 3.08Å; L1401-L1444 WeakPolarHBondContact CA-O 3.39Å; L1401-L1444 PolarHBondContact O-N 2.74Å; L1401-L1444 VanDerWaalsContact O-N 3.12Å; G1402-L1444 PolarHBondContact N-O 3.45Å; L1403-L1444 HydrophobicContact CB-CD1 3.51Å; L1403-L1444 HydrophobicContact CD2-CD1 4.38Å; M1442-L1444 HydrophobicContact CG-CD2 4.08Å; M1442-L1444 HydrophobicContact CG-CG 4.17Å; M1442-L1444 HydrophobicContact SD-CD2 3.94Å; L1444-Y1449 HydrophobicContact CB-CD2 4.25Å; L1444-Y1449 HydrophobicContact CB-CE2 3.96Å; L1444-Y1449 HydrophobicContact CD1-CD2 4.03Å; L1444-Y1449 HydrophobicContact CD1-CG 4.36Å; L1444-Y1449 HydrophobicContact CD2-CD1 4.04Å; L1444-Y1449 HydrophobicContact CD2-CD2 4.19Å; L1444-Y1449 HydrophobicContact CD2-CE1 4.3Å; L1444-Y1449 HydrophobicContact CD2-CE2 4.4Å; L1444-Y1449 HydrophobicContact CD2-CG 4.01Å; L1444-Y1449 HydrophobicContact CG-CD2 4.39Å; L1444-F1451 HydrophobicContact CD1-CE2 4.29Å; L1444-F1451 HydrophobicContact CD1-CZ 3.67Å; L1444-F1451 HydrophobicContact CD2-CZ 4.23Å; L1444-V1467 HydrophobicContact CB-CG2 4.01Å; L1444-V1467 HydrophobicContact CD1-CG2 3.81Å | ||
| 1445 | P | 55.3 | Low | 65.3 | Low | 16 Ų | 16 | 36.2 Ų | 36.2 | 10% | 0.104 | 19% | 0.187 | C | C | . | . | trans | -57.1 | 169.6 | 164.9 | -19.9 | 30.3 | 0 | 0 | 0 | 112.5 | L1248 E1251 G1447 Y1449 V1467 | L1248-P1445 HydrophobicContact CD1-CG 4.08Å; E1251-P1445 HydrophobicContact CB-CB 4.12Å; E1251-P1445 HydrophobicContact CB-CG 3.9Å; P1445-G1447 PolarHBondContact O-N 3.18Å; P1445-G1447 VanDerWaalsContact O-N 3.17Å; P1445-Y1449 WeakPolarHBondContact CB-OH 3.24Å; P1445-Y1449 WeakPolarHBondContact CD-OH 3.46Å; P1445-Y1449 WeakPolarHBondContact O-CE2 3.25Å; P1445-Y1449 PolarHBondContact O-OH 3.4Å; P1445-V1467 WeakPolarHBondContact O-CB 3.24Å; P1445-V1467 WeakPolarHBondContact O-CG1 3.24Å | ||
| 1446 | P | 57 | Low | 65.8 | Low | 49 Ų | 49 | 38 Ų | 38 | 32% | 0.318 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -71.1 | 108.7 | 171.4 | 1.6 | 13.2 | 0 | 0 | 0 | 109.8 | L1401 I1469 | L1401-P1446 HydrophobicContact CD2-CB 4.43Å; L1401-P1446 HydrophobicContact CD2-CG 3.76Å; P1446-I1469 HydrophobicContact CB-CD1 4.42Å; P1446-I1469 HydrophobicContact CB-CG1 3.61Å; P1446-I1469 HydrophobicContact CG-CD1 4.2Å; P1446-I1469 HydrophobicContact CG-CG1 3.5Å |
| 1447 | G | 60 | Low | 66.6 | Low | 19 Ų | 19 | 31.9 Ų | 31.9 | 20% | 0.196 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -172.8 | -175.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | P1445 Y1449 H1466 V1467 | P1445-G1447 PolarHBondContact O-N 3.18Å; P1445-G1447 VanDerWaalsContact O-N 3.17Å; G1447-Y1449 VanDerWaalsContact C-CE2 3.42Å; G1447-H1466 CarbonylContact O-C 3.51Å; G1447-H1466 WeakPolarHBondContact O-CA 3.47Å; G1447-V1467 PolarHBondContact N-O 2.73Å; G1447-V1467 PolarHBondContact O-N 2.65Å |
| 1448 | M | 63.7 | Low | 67.3 | Low | 122 Ų | 122 | 28.9 Ų | 28.9 | 60% | 0.601 | 15% | 0.15 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 108.9 | -178.8 | -76.8 | -74.7 | -82.7 | 0 | 0 | 110.5 | I1464 I1465 H1466 | M1448-I1464 HydrophobicContact CB-CG2 4.36Å; M1448-I1464 HydrophobicContact CE-CG2 3.52Å; M1448-I1464 HydrophobicContact SD-CG2 4.09Å; M1448-I1465 WeakPolarHBondContact CA-O 3.24Å; M1448-H1466 HydrophobicContact SD-CB 3.5Å; M1448-H1466 WeakPolarHBondContact SD-CB 3.4Å |
| 1449 | Y | 68.5 | Low | 67.8 | Low | 13 Ų | 13 | 33.1 Ų | 33.1 | 5% | 0.051 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 133 | -168.6 | -64.5 | -69.4 | 0 | 0 | 0 | 112.2 | L1248 L1422 L1444 P1445 G1447 F1451 I1464 I1465 V1467 | L1248-Y1449 HydrophobicContact CD1-CE1 3.53Å; L1248-Y1449 HydrophobicContact CD2-CD1 4.31Å; L1248-Y1449 HydrophobicContact CD2-CE1 3.92Å; L1248-Y1449 HydrophobicContact CG-CE1 4.39Å; L1422-Y1449 HydrophobicContact CD1-CD1 4.17Å; L1422-Y1449 HydrophobicContact CD1-CG 4.43Å; L1422-Y1449 HydrophobicContact CD2-CD1 4.37Å; L1444-Y1449 HydrophobicContact CB-CD2 4.25Å; L1444-Y1449 HydrophobicContact CB-CE2 3.96Å; L1444-Y1449 HydrophobicContact CD1-CD2 4.03Å; L1444-Y1449 HydrophobicContact CD1-CG 4.36Å; L1444-Y1449 HydrophobicContact CD2-CD1 4.04Å; L1444-Y1449 HydrophobicContact CD2-CD2 4.19Å; L1444-Y1449 HydrophobicContact CD2-CE1 4.3Å; L1444-Y1449 HydrophobicContact CD2-CE2 4.4Å; L1444-Y1449 HydrophobicContact CD2-CG 4.01Å; L1444-Y1449 HydrophobicContact CG-CD2 4.39Å; P1445-Y1449 WeakPolarHBondContact CB-OH 3.24Å; P1445-Y1449 WeakPolarHBondContact CD-OH 3.46Å; P1445-Y1449 WeakPolarHBondContact O-CE2 3.25Å; P1445-Y1449 PolarHBondContact O-OH 3.4Å; G1447-Y1449 VanDerWaalsContact C-CE2 3.42Å; Y1449-F1451 VanDerWaalsContact CB-CE2 3.41Å; Y1449-F1451 HydrophobicContact CG-CZ 4.48Å; Y1449-I1464 CarbonylContact O-C 3.55Å; Y1449-I1464 VanDerWaalsContact O-CA 3.28Å; Y1449-I1464 WeakPolarHBondContact O-CA 3.38Å; Y1449-I1465 PolarHBondContact N-O 3.5Å; Y1449-I1465 PolarHBondContact O-N 2.81Å; Y1449-V1467 HydrophobicContact CD2-CB 4.49Å; Y1449-V1467 HydrophobicContact CD2-CG2 3.83Å; Y1449-V1467 HydrophobicContact CE2-CB 4.23Å; Y1449-V1467 HydrophobicContact CE2-CG2 3.99Å |
| 1450 | H | 73.1 | Confident | 68.5 | Low | 46 Ų | 46 | 34.9 Ų | 34.9 | 21% | 0.213 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 110.8 | 179.4 | -161.8 | -134.5 | 0 | 0 | 0 | 111 | L1422 D1423 Y1424 S1462 I1464 | L1422-H1450 WeakPolarHBondContact CD1-O 3.25Å; D1423-H1450 PolarHBondContact N-O 2.9Å; D1423-H1450 IonicContact OD2-CE1 3.76Å; D1423-H1450 PolarHBondContact OD2-CE1 2.93Å; D1423-H1450 IonicContact OD2-CG 3.65Å; D1423-H1450 IonicContact OD2-ND1 2.74Å; D1423-H1450 PolarHBondContact OD2-ND1 3.37Å; Y1424-H1450 HydrophobicContact CE2-CB 4.37Å; H1450-S1462 PolarHBondContact CE1-OG 2.86Å; H1450-S1462 PolarHBondContact NE2-OG 2.63Å; H1450-I1464 VanDerWaalsContact CD2-CG1 3.44Å; H1450-I1464 WeakPolarHBondContact CD2-CG1 3.44Å |
| 1451 | F | 80 | Confident | 69.3 | Low | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 114.2 | -178.2 | -68.7 | -72.7 | 0 | 0 | 0 | 110.7 | L1403 I1420 H1421 L1422 M1442 L1444 Y1449 L1453 L1461 S1462 E1463 I1465 F1478 | L1403-F1451 HydrophobicContact CD2-CD1 4.23Å; L1403-F1451 HydrophobicContact CD2-CD2 4.01Å; L1403-F1451 HydrophobicContact CD2-CE1 3.77Å; L1403-F1451 HydrophobicContact CD2-CE2 3.52Å; L1403-F1451 HydrophobicContact CD2-CG 4.35Å; L1403-F1451 HydrophobicContact CD2-CZ 3.41Å; L1403-F1451 VanDerWaalsContact CD2-CZ 3.41Å; I1420-F1451 HydrophobicContact CG2-CB 4.47Å; I1420-F1451 HydrophobicContact CG2-CD1 3.63Å; I1420-F1451 HydrophobicContact CG2-CE1 4.36Å; I1420-F1451 HydrophobicContact CG2-CG 4.4Å; H1421-F1451 CarbonylContact O-C 3.56Å; H1421-F1451 WeakPolarHBondContact O-CA 3.34Å; L1422-F1451 HydrophobicContact CD1-CD1 3.97Å; L1422-F1451 HydrophobicContact CD1-CE1 3.53Å; L1422-F1451 HydrophobicContact CD1-CE2 4.4Å; L1422-F1451 HydrophobicContact CD1-CZ 3.74Å; M1442-F1451 HydrophobicContact CE-CE1 4.34Å; M1442-F1451 HydrophobicContact SD-CE1 3.67Å; M1442-F1451 HydrophobicContact SD-CZ 4.25Å; L1444-F1451 HydrophobicContact CD1-CE2 4.29Å; L1444-F1451 HydrophobicContact CD1-CZ 3.67Å; L1444-F1451 HydrophobicContact CD2-CZ 4.23Å; Y1449-F1451 VanDerWaalsContact CB-CE2 3.41Å; Y1449-F1451 HydrophobicContact CG-CZ 4.48Å; F1451-L1453 HydrophobicContact CB-CD1 3.75Å; F1451-L1461 VanDerWaalsContact O-O 3.07Å; F1451-S1462 CarbonylContact O-C 3.49Å; F1451-S1462 VanDerWaalsContact O-CA 3.26Å; F1451-S1462 WeakPolarHBondContact O-CA 3.11Å; F1451-E1463 PolarHBondContact N-O 3.42Å; F1451-E1463 PolarHBondContact O-N 3.14Å; F1451-I1465 HydrophobicContact CD2-CB 4.28Å; F1451-I1465 HydrophobicContact CD2-CD1 3.92Å; F1451-I1465 HydrophobicContact CD2-CG1 4.12Å; F1451-I1465 HydrophobicContact CE2-CB 4.13Å; F1451-I1465 HydrophobicContact CE2-CD1 4.2Å; F1451-I1465 HydrophobicContact CE2-CG1 4.42Å; F1451-F1478 HydrophobicContact CB-CE1 3.89Å; F1451-F1478 HydrophobicContact CB-CZ 4.08Å; F1451-F1478 HydrophobicContact CD2-CE1 4.46Å; F1451-F1478 HydrophobicContact CD2-CZ 4.1Å; F1451-F1478 HydrophobicContact CG-CE1 4.32Å; F1451-F1478 HydrophobicContact CG-CZ 4.04Å |
| 1452 | T | 75.7 | Confident | 70.3 | Confident | 11 Ų | 11 | 35.8 Ų | 35.8 | 7% | 0.067 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 95.8 | 170 | -65.6 | 0 | 0 | 0 | 0 | 109.3 | H1421 D1423 R1454 L1461 S1462 | H1421-T1452 WeakPolarHBondContact CB-O 3.27Å; H1421-T1452 PolarHBondContact N-O 3.02Å; H1421-T1452 PolarHBondContact O-N 3.42Å; D1423-T1452 WeakPolarHBondContact OD1-CB 3.1Å; D1423-T1452 PolarHBondContact OD1-OG1 3.11Å; D1423-T1452 PolarHBondContact OD2-OG1 2.03Å; T1452-R1454 PolarHBondContact O-N 2.89Å; T1452-L1461 CarbonylContact C-O 3.36Å; T1452-L1461 WeakPolarHBondContact CA-O 3.42Å; T1452-S1462 PolarHBondContact OG1-OG 2.97Å |
| 1453 | L | 81.7 | Confident | 71.3 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 124 | 175.8 | -69 | 83.1 | 0 | 0 | 0 | 109.5 | V1407 V1418 R1419 I1420 F1451 L1461 F1478 M1480 | V1407-L1453 HydrophobicContact CB-CD2 4.19Å; V1407-L1453 HydrophobicContact CG1-CD2 3.53Å; V1407-L1453 HydrophobicContact CG2-CD2 3.53Å; V1418-L1453 HydrophobicContact CG1-CB 4.21Å; V1418-L1453 HydrophobicContact CG1-CD2 4.24Å; R1419-L1453 WeakPolarHBondContact O-CA 3.38Å; I1420-L1453 HydrophobicContact CB-CG 4.23Å; I1420-L1453 HydrophobicContact CG1-CD2 3.72Å; I1420-L1453 HydrophobicContact CG1-CG 3.79Å; I1420-L1453 HydrophobicContact CG2-CD1 4.22Å; I1420-L1453 HydrophobicContact CG2-CG 4.04Å; F1451-L1453 HydrophobicContact CB-CD1 3.75Å; L1453-L1461 HydrophobicContact CB-CB 4.3Å; L1453-L1461 PolarHBondContact N-O 3.04Å; L1453-L1461 PolarHBondContact O-N 2.81Å; L1453-F1478 HydrophobicContact CD1-CD1 3.35Å; L1453-F1478 HydrophobicContact CD1-CE1 3.43Å; L1453-F1478 VanDerWaalsContact CD1-CE1 3.43Å; L1453-F1478 HydrophobicContact CD1-CG 3.93Å; L1453-F1478 HydrophobicContact CD1-CZ 4.08Å; L1453-F1478 HydrophobicContact CD2-CB 3.64Å; L1453-F1478 HydrophobicContact CD2-CD1 3.9Å; L1453-F1478 HydrophobicContact CD2-CD2 3.99Å; L1453-F1478 HydrophobicContact CD2-CG 3.56Å; L1453-F1478 HydrophobicContact CG-CD1 4.3Å; L1453-F1478 HydrophobicContact CG-CG 4.44Å; L1453-M1480 HydrophobicContact CB-CE 3.82Å; L1453-M1480 HydrophobicContact CB-SD 4.24Å; L1453-M1480 WeakPolarHBondContact O-CE 2.88Å |
| 1454 | R | 71.6 | Confident | 72.3 | Confident | 95 Ų | 95 | 41.8 Ų | 41.8 | 36% | 0.358 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 123.5 | 169.1 | -74.4 | -169.6 | 172.5 | 116.1 | 17.5 | 108.5 | R1419 T1452 D1460 M1577 | R1419-R1454 CarbonylContact C-O 3.47Å; R1419-R1454 VanDerWaalsContact CA-O 3.3Å; R1419-R1454 WeakPolarHBondContact CA-O 2.85Å; R1419-R1454 WeakPolarHBondContact CB-O 2.91Å; R1419-R1454 PolarHBondContact N-O 2.99Å; R1419-R1454 CarbonylContact O-C 3.47Å; R1419-R1454 PolarHBondContact O-N 3.25Å; T1452-R1454 PolarHBondContact O-N 2.89Å; R1454-D1460 IonicContact CZ-OD2 3.5Å; R1454-D1460 IonicContact NE-OD1 3.47Å; R1454-D1460 IonicContact NE-OD2 3.39Å; R1454-D1460 PolarHBondContact NE-OD2 2.78Å; R1454-D1460 IonicContact NH2-OD2 3.58Å; R1454-D1460 PolarHBondContact NH2-OD2 2.87Å; R1454-M1577 HydrophobicContact CB-CE 3.97Å; R1454-M1577 HydrophobicContact CG-CE 3.98Å; R1454-M1577 HydrophobicContact CG-SD 4.42Å |
| 1455 | A | 73.6 | Confident | 73 | Confident | 2 Ų | 2 | 42 Ų | 42 | 2% | 0.017 | 22% | 0.219 | C | C | . | . | trans | -152.9 | 178.1 | 141.8 | 0 | 0 | 0 | 0 | 0 | 108 | V1418 G1457 Y1458 L1574 L1578 | V1418-A1455 HydrophobicContact CB-CB 4.11Å; V1418-A1455 HydrophobicContact CG1-CB 4Å; V1418-A1455 HydrophobicContact CG2-CB 4.21Å; A1455-G1457 PolarHBondContact O-N 2.8Å; A1455-Y1458 PolarHBondContact O-N 3.31Å; A1455-Y1458 VanDerWaalsContact O-N 3.09Å; A1455-L1574 HydrophobicContact CB-CD1 3.5Å; A1455-L1574 VanDerWaalsContact CB-CD1 3.5Å; A1455-L1574 HydrophobicContact CB-CD2 3.54Å; A1455-L1574 HydrophobicContact CB-CG 3.69Å; A1455-L1574 WeakPolarHBondContact O-CD1 3.33Å; A1455-L1578 HydrophobicContact CB-CD1 3.82Å; A1455-L1578 HydrophobicContact CB-CD2 3.79Å; A1455-L1578 HydrophobicContact CB-CG 3.56Å | ||
| 1456 | R | 64.2 | Low | 73.2 | Confident | 62 Ų | 62 | 46.5 Ų | 46.5 | 23% | 0.234 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -18.6 | 73.6 | -154.1 | -152.6 | -175.9 | 154.6 | -170.6 | -25.1 | 115 | Y1458 Y1573 L1574 E1575 S1576 M1577 L1578 | R1456-Y1458 PolarHBondContact O-N 2.81Å; R1456-Y1573 CarbonylContact C-O 3.13Å; R1456-Y1573 CarbonylContact O-C 3.46Å; R1456-L1574 VanDerWaalsContact CB-C 3.49Å; R1456-L1574 HydrophobicContact CB-CG 4.09Å; R1456-L1574 WeakPolarHBondContact CB-O 3.43Å; R1456-L1574 VanDerWaalsContact N-CG 3.34Å; R1456-L1574 CarbonylContact O-C 3.4Å; R1456-L1574 WeakPolarHBondContact O-CA 3.25Å; R1456-E1575 VanDerWaalsContact CG-C 3.43Å; R1456-E1575 VanDerWaalsContact CZ-O 3.27Å; R1456-E1575 IonicContact CZ-OE1 2.72Å; R1456-E1575 VanDerWaalsContact NE-C 3.26Å; R1456-E1575 PolarHBondContact NE-O 2.91Å; R1456-E1575 IonicContact NE-OE1 3.45Å; R1456-E1575 IonicContact NH1-OE1 3.99Å; R1456-E1575 PolarHBondContact NH1-OE1 2.74Å; R1456-E1575 PolarHBondContact NH2-O 3.43Å; R1456-E1575 IonicContact NH2-OE1 2.78Å; R1456-E1575 PolarHBondContact NH2-OE1 2.82Å; R1456-E1575 CarbonylContact O-C 2.9Å; R1456-E1575 VanDerWaalsContact O-C 3.26Å; R1456-E1575 VanDerWaalsContact O-CA 3.22Å; R1456-E1575 WeakPolarHBondContact O-CA 3.07Å; R1456-E1575 PolarHBondContact O-N 3.39Å; R1456-S1576 VanDerWaalsContact C-C 3.42Å; R1456-S1576 PolarHBondContact O-N 3.42Å; R1456-M1577 VanDerWaalsContact CA-CA 3.45Å; R1456-L1578 HydrophobicContact CB-CB 3.67Å; R1456-L1578 HydrophobicContact CB-CD1 4.32Å; R1456-L1578 HydrophobicContact CB-CG 3.94Å; R1456-L1578 VanDerWaalsContact CD-O 3.27Å; R1456-L1578 WeakPolarHBondContact CD-O 3.33Å; R1456-L1578 HydrophobicContact CG-CB 4.03Å; R1456-L1578 WeakPolarHBondContact CG-O 3.46Å |
| 1457 | G | 73.7 | Confident | 73.3 | Confident | 7 Ų | 7 | 44.2 Ų | 44.2 | 7% | 0.072 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | -19.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | A1455 L1459 V1483 Y1573 S1576 M1577 | A1455-G1457 PolarHBondContact O-N 2.8Å; G1457-L1459 PolarHBondContact O-N 3.27Å; G1457-V1483 WeakPolarHBondContact O-CG2 3.5Å; G1457-Y1573 CarbonylContact C-O 3.46Å; G1457-Y1573 WeakPolarHBondContact O-CD1 3.43Å; G1457-Y1573 WeakPolarHBondContact O-CE1 3.25Å; G1457-S1576 VanDerWaalsContact CA-C 3.42Å; G1457-S1576 VanDerWaalsContact CA-OG 3.23Å; G1457-S1576 WeakPolarHBondContact CA-OG 3.42Å; G1457-M1577 VanDerWaalsContact N-CG 3.32Å |
| 1458 | Y | 77.3 | Confident | 72.9 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -56.6 | 143.2 | -176.7 | -98.4 | -40.6 | 0 | 0 | 0 | 108.4 | D1409 I1415 A1455 R1456 D1460 M1480 K1481 H1482 S1570 D1571 N1572 Y1573 L1574 | D1409-Y1458 HydrophobicContact CB-CE1 4Å; D1409-Y1458 HydrophobicContact CB-CE2 3.85Å; D1409-Y1458 VanDerWaalsContact CB-CZ 3.43Å; D1409-Y1458 VanDerWaalsContact CB-OH 3.32Å; D1409-Y1458 WeakPolarHBondContact CB-OH 3.15Å; D1409-Y1458 PolarHBondContact OD2-OH 2.98Å; I1415-Y1458 HydrophobicContact CD1-CD2 3.73Å; I1415-Y1458 HydrophobicContact CD1-CE2 3.33Å; I1415-Y1458 HydrophobicContact CG1-CE2 3.87Å; A1455-Y1458 PolarHBondContact O-N 3.31Å; A1455-Y1458 VanDerWaalsContact O-N 3.09Å; R1456-Y1458 PolarHBondContact O-N 2.81Å; Y1458-D1460 PolarHBondContact O-N 3.14Å; Y1458-M1480 HydrophobicContact CD1-CB 4.2Å; Y1458-M1480 HydrophobicContact CD2-CB 3.41Å; Y1458-M1480 VanDerWaalsContact CD2-CB 3.41Å; Y1458-M1480 HydrophobicContact CD2-CG 4.16Å; Y1458-M1480 HydrophobicContact CD2-SD 3.84Å; Y1458-M1480 HydrophobicContact CE2-CB 4.08Å; Y1458-M1480 HydrophobicContact CG-CB 3.57Å; Y1458-M1480 HydrophobicContact CG-SD 4.33Å; Y1458-K1481 VanDerWaalsContact CD1-O 3.27Å; Y1458-K1481 WeakPolarHBondContact CD1-O 3.01Å; Y1458-H1482 HydrophobicContact CE1-CB 4.24Å; Y1458-S1570 PolarHBondContact OH-O 3.32Å; Y1458-D1571 PolarHBondContact OH-N 3.28Å; Y1458-N1572 WeakPolarHBondContact OH-CA 3.39Å; Y1458-Y1573 WeakPolarHBondContact CA-O 3.41Å; Y1458-Y1573 VanDerWaalsContact CD1-C 3.45Å; Y1458-Y1573 VanDerWaalsContact CZ-N 3.25Å; Y1458-Y1573 PolarHBondContact N-O 3.19Å; Y1458-Y1573 PolarHBondContact OH-N 2.88Å; Y1458-L1574 HydrophobicContact CD2-CB 3.81Å; Y1458-L1574 HydrophobicContact CD2-CD1 3.38Å; Y1458-L1574 HydrophobicContact CD2-CG 4.25Å; Y1458-L1574 VanDerWaalsContact CD2-N 3.3Å; Y1458-L1574 HydrophobicContact CE2-CB 3.83Å; Y1458-L1574 HydrophobicContact CE2-CD1 4.13Å; Y1458-L1574 HydrophobicContact CG-CD1 4.16Å |
| 1459 | L | 77.7 | Confident | 72.3 | Confident | 90 Ų | 90 | 42.6 Ų | 42.6 | 47% | 0.471 | 21% | 0.212 | S | C | . | . | B | Isolated β-bridge | trans | -47.7 | 113.3 | 174.9 | -77.6 | 170.6 | 0 | 0 | 0 | 108 | G1457 L1461 K1481 V1483 | G1457-L1459 PolarHBondContact O-N 3.27Å; L1459-L1461 PolarHBondContact O-N 3.49Å; L1459-K1481 HydrophobicContact CB-CB 4.35Å; L1459-K1481 WeakPolarHBondContact CB-O 3.22Å; L1459-K1481 HydrophobicContact CD1-CB 3.94Å; L1459-K1481 WeakPolarHBondContact CG-O 3.03Å; L1459-K1481 PolarHBondContact N-O 2.81Å; L1459-V1483 HydrophobicContact CB-CG2 4.45Å; L1459-V1483 HydrophobicContact CD2-CG1 4.3Å; L1459-V1483 HydrophobicContact CD2-CG2 3.76Å; L1459-V1483 HydrophobicContact CG-CG2 3.67Å |
| 1460 | D | 80.9 | Confident | 71.1 | Confident | 73 Ų | 73 | 45.8 Ų | 45.8 | 39% | 0.39 | 23% | 0.23 | S | C | . | . | trans | -42.2 | 108.9 | -176.7 | -67.6 | 24.6 | 0 | 0 | 0 | 109 | R1454 Y1458 S1462 M1577 | R1454-D1460 IonicContact CZ-OD2 3.5Å; R1454-D1460 IonicContact NE-OD1 3.47Å; R1454-D1460 IonicContact NE-OD2 3.39Å; R1454-D1460 PolarHBondContact NE-OD2 2.78Å; R1454-D1460 IonicContact NH2-OD2 3.58Å; R1454-D1460 PolarHBondContact NH2-OD2 2.87Å; Y1458-D1460 PolarHBondContact O-N 3.14Å; D1460-S1462 PolarHBondContact O-N 2.77Å; D1460-M1577 WeakPolarHBondContact OD1-CE 3.23Å | ||
| 1461 | L | 81.8 | Confident | 69.6 | Low | 36 Ų | 36 | 48.7 Ų | 48.7 | 19% | 0.188 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 109 | -174.3 | 173.8 | 68.4 | 0 | 0 | 0 | 107.4 | F1451 T1452 L1453 L1459 F1478 M1480 | F1451-L1461 VanDerWaalsContact O-O 3.07Å; T1452-L1461 CarbonylContact C-O 3.36Å; T1452-L1461 WeakPolarHBondContact CA-O 3.42Å; L1453-L1461 HydrophobicContact CB-CB 4.3Å; L1453-L1461 PolarHBondContact N-O 3.04Å; L1453-L1461 PolarHBondContact O-N 2.81Å; L1459-L1461 PolarHBondContact O-N 3.49Å; L1461-F1478 HydrophobicContact CD2-CB 3.86Å; L1461-F1478 HydrophobicContact CD2-CD1 4.06Å; L1461-F1478 HydrophobicContact CD2-CG 4.47Å; L1461-M1480 HydrophobicContact CB-CE 4.04Å; L1461-M1480 HydrophobicContact CB-CG 4.17Å; L1461-M1480 HydrophobicContact CD2-CG 4.01Å |
| 1462 | S | 82.2 | Confident | 68 | Low | 59 Ų | 59 | 52.9 Ų | 52.9 | 41% | 0.413 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 113.5 | 179.9 | -145.5 | 0 | 0 | 0 | 0 | 108.5 | H1450 F1451 T1452 D1460 | H1450-S1462 PolarHBondContact CE1-OG 2.86Å; H1450-S1462 PolarHBondContact NE2-OG 2.63Å; F1451-S1462 CarbonylContact O-C 3.49Å; F1451-S1462 VanDerWaalsContact O-CA 3.26Å; F1451-S1462 WeakPolarHBondContact O-CA 3.11Å; T1452-S1462 PolarHBondContact OG1-OG 2.97Å; D1460-S1462 PolarHBondContact O-N 2.77Å |
| 1463 | E | 82.9 | Confident | 66.7 | Low | 69 Ų | 69 | 53.1 Ų | 53.1 | 32% | 0.322 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 146 | -173.6 | -174.8 | 165 | -153.3 | 0 | 0 | 111.8 | F1451 H1476 F1478 | F1451-E1463 PolarHBondContact N-O 3.42Å; F1451-E1463 PolarHBondContact O-N 3.14Å; E1463-H1476 VanDerWaalsContact CD-NE2 3.28Å; E1463-H1476 IonicContact OE1-CE1 3.87Å; E1463-H1476 IonicContact OE1-NE2 2.78Å; E1463-H1476 IonicContact OE2-CD2 3.25Å; E1463-H1476 IonicContact OE2-CE1 3.46Å; E1463-H1476 IonicContact OE2-NE2 3.94Å; E1463-H1476 PolarHBondContact OE2-NE2 3.07Å; E1463-F1478 HydrophobicContact CB-CE1 4.45Å |
| 1464 | I | 77.6 | Confident | 65.4 | Low | 104 Ų | 104 | 54.5 Ų | 54.5 | 53% | 0.533 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 125.8 | 178.1 | -51.9 | 166.8 | 0 | 0 | 0 | 110 | M1448 Y1449 H1450 | M1448-I1464 HydrophobicContact CB-CG2 4.36Å; M1448-I1464 HydrophobicContact CE-CG2 3.52Å; M1448-I1464 HydrophobicContact SD-CG2 4.09Å; Y1449-I1464 CarbonylContact O-C 3.55Å; Y1449-I1464 VanDerWaalsContact O-CA 3.28Å; Y1449-I1464 WeakPolarHBondContact O-CA 3.38Å; H1450-I1464 VanDerWaalsContact CD2-CG1 3.44Å; H1450-I1464 WeakPolarHBondContact CD2-CG1 3.44Å |
| 1465 | I | 73.6 | Confident | 64.9 | Low | 10 Ų | 10 | 56.9 Ų | 56.9 | 5% | 0.051 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 139.6 | 179 | -62.3 | -179 | 0 | 0 | 0 | 110.8 | L1403 M1448 Y1449 F1451 I1474 H1476 F1478 | L1403-I1465 HydrophobicContact CD1-CD1 3.7Å; L1403-I1465 HydrophobicContact CD2-CD1 4.15Å; M1448-I1465 WeakPolarHBondContact CA-O 3.24Å; Y1449-I1465 PolarHBondContact N-O 3.5Å; Y1449-I1465 PolarHBondContact O-N 2.81Å; F1451-I1465 HydrophobicContact CD2-CB 4.28Å; F1451-I1465 HydrophobicContact CD2-CD1 3.92Å; F1451-I1465 HydrophobicContact CD2-CG1 4.12Å; F1451-I1465 HydrophobicContact CE2-CB 4.13Å; F1451-I1465 HydrophobicContact CE2-CD1 4.2Å; F1451-I1465 HydrophobicContact CE2-CG1 4.42Å; I1465-I1474 HydrophobicContact CG2-CG2 4.05Å; I1465-H1476 HydrophobicContact CD1-CB 3.85Å; I1465-H1476 VanDerWaalsContact CD1-CD2 3.47Å; I1465-H1476 WeakPolarHBondContact CD1-CD2 3.18Å; I1465-F1478 HydrophobicContact CD1-CE1 3.75Å; I1465-F1478 HydrophobicContact CD1-CE2 4.12Å; I1465-F1478 HydrophobicContact CD1-CZ 3.32Å |
| 1466 | H | 60.5 | Low | 64.9 | Low | 109 Ų | 109 | 58.9 Ų | 58.9 | 51% | 0.505 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 103.6 | 177.9 | -177.7 | -64 | 0 | 0 | 0 | 111.2 | G1447 M1448 I1474 | G1447-H1466 CarbonylContact O-C 3.51Å; G1447-H1466 WeakPolarHBondContact O-CA 3.47Å; M1448-H1466 HydrophobicContact SD-CB 3.5Å; M1448-H1466 WeakPolarHBondContact SD-CB 3.4Å; H1466-I1474 WeakPolarHBondContact O-CD1 3.43Å |
| 1467 | V | 58.9 | Low | 65.6 | Low | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | trans | -77.8 | 140 | 171.9 | -176.6 | 0 | 0 | 0 | 0 | 109.9 | L1444 P1445 G1447 Y1449 | L1444-V1467 HydrophobicContact CB-CG2 4.01Å; L1444-V1467 HydrophobicContact CD1-CG2 3.81Å; P1445-V1467 WeakPolarHBondContact O-CB 3.24Å; P1445-V1467 WeakPolarHBondContact O-CG1 3.24Å; G1447-V1467 PolarHBondContact N-O 2.73Å; G1447-V1467 PolarHBondContact O-N 2.65Å; Y1449-V1467 HydrophobicContact CD2-CB 4.49Å; Y1449-V1467 HydrophobicContact CD2-CG2 3.83Å; Y1449-V1467 HydrophobicContact CE2-CB 4.23Å; Y1449-V1467 HydrophobicContact CE2-CG2 3.99Å | ||
| 1468 | D | 52.5 | Low | 66.1 | Low | 53 Ų | 53 | 57.6 Ų | 57.6 | 28% | 0.283 | 30% | 0.296 | S | S | . | . | trans | -140 | 133 | -165.2 | -174.3 | 8.6 | 0 | 0 | 0 | 112 | L1470 K1471 | D1468-L1470 PolarHBondContact O-N 2.84Å; D1468-K1471 HydrophobicContact CB-CB 4.43Å; D1468-K1471 HydrophobicContact CB-CD 4.3Å; D1468-K1471 HydrophobicContact CB-CG 4.13Å; D1468-K1471 PolarHBondContact O-N 3.45Å; D1468-K1471 VanDerWaalsContact O-N 3.13Å; D1468-K1471 IonicContact OD2-NZ 3.98Å; D1468-K1471 PolarHBondContact OD2-NZ 3.43Å | ||
| 1469 | I | 50.2 | Low | 66.6 | Low | 55 Ų | 55 | 62.4 Ų | 62.4 | 28% | 0.282 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -40.9 | -159.5 | -70.8 | 175.5 | 0 | 0 | 0 | 114.5 | F888 P1446 | F888-I1469 HydrophobicContact CE2-CD1 4.02Å; F888-I1469 HydrophobicContact CZ-CD1 4.12Å; P1446-I1469 HydrophobicContact CB-CD1 4.42Å; P1446-I1469 HydrophobicContact CB-CG1 3.61Å; P1446-I1469 HydrophobicContact CG-CD1 4.2Å; P1446-I1469 HydrophobicContact CG-CG1 3.5Å |
| 1470 | L | 43.8 | Very low | 66.8 | Low | 79 Ų | 79 | 58.2 Ų | 58.2 | 41% | 0.414 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 14.4 | -177.5 | -65 | -172.1 | 0 | 0 | 0 | 113.6 | T925 D1468 | T925-L1470 HydrophobicContact CG2-CD1 3.42Å; T925-L1470 VanDerWaalsContact CG2-CD1 3.42Å; D1468-L1470 PolarHBondContact O-N 2.84Å |
| 1471 | K | 41.4 | Very low | 66.8 | Low | 107 Ų | 107 | 61.1 Ų | 61.1 | 47% | 0.465 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -84.9 | 131.2 | 166.9 | -70.2 | -161.4 | 175.8 | 77.2 | 0 | 109.1 | S1400 D1468 | S1400-K1471 WeakPolarHBondContact CA-O 3.33Å; S1400-K1471 WeakPolarHBondContact CB-O 3.45Å; D1468-K1471 HydrophobicContact CB-CB 4.43Å; D1468-K1471 HydrophobicContact CB-CD 4.3Å; D1468-K1471 HydrophobicContact CB-CG 4.13Å; D1468-K1471 PolarHBondContact O-N 3.45Å; D1468-K1471 VanDerWaalsContact O-N 3.13Å; D1468-K1471 IonicContact OD2-NZ 3.98Å; D1468-K1471 PolarHBondContact OD2-NZ 3.43Å |
| 1472 | S | 46.5 | Very low | 66.4 | Low | 88 Ų | 88 | 64 Ų | 64 | 62% | 0.615 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -47.1 | 166.3 | 152.7 | 60 | 0 | 0 | 0 | 0 | 110.6 | I1474 | S1472-I1474 PolarHBondContact O-N 2.84Š|
| 1473 | P | 49 | Very low | 65.5 | Low | 17 Ų | 17 | 64.1 Ų | 64.1 | 11% | 0.11 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -46.2 | 137.7 | -164.5 | -13 | 15.4 | 0 | 0 | 0 | 112.3 | G1399 I1404 Y1475 | G1399-P1473 WeakPolarHBondContact O-CD 3.45Å; G1399-P1473 WeakPolarHBondContact O-CG 3.41Å; I1404-P1473 HydrophobicContact CB-CB 4.38Å; I1404-P1473 HydrophobicContact CD1-CB 3.52Å; I1404-P1473 HydrophobicContact CD1-CG 3.76Å; I1404-P1473 HydrophobicContact CG1-CB 3.8Å; P1473-Y1475 HydrophobicContact CB-CD2 4.09Å; P1473-Y1475 HydrophobicContact CB-CE2 3.77Å; P1473-Y1475 HydrophobicContact CG-CD2 4.39Å; P1473-Y1475 HydrophobicContact CG-CE2 3.6Å; P1473-Y1475 WeakPolarHBondContact O-CD2 3.48Å; P1473-Y1475 PolarHBondContact O-N 3.06Å |
| 1474 | I | 53.7 | Low | 64.3 | Low | 28 Ų | 28 | 62.7 Ų | 62.7 | 14% | 0.144 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 88.4 | 171 | -58.5 | -155.8 | 0 | 0 | 0 | 107.8 | G1402 L1403 I1404 I1465 H1466 S1472 H1476 | G1402-I1474 PolarHBondContact O-N 3.14Å; L1403-I1474 WeakPolarHBondContact CD1-O 3.22Å; I1404-I1474 PolarHBondContact N-O 2.83Å; I1465-I1474 HydrophobicContact CG2-CG2 4.05Å; H1466-I1474 WeakPolarHBondContact O-CD1 3.43Å; S1472-I1474 PolarHBondContact O-N 2.84Å; I1474-H1476 HydrophobicContact CG2-CB 4.44Å; I1474-H1476 PolarHBondContact O-N 3.14Å; I1474-H1476 VanDerWaalsContact O-N 3.09Å |
| 1475 | Y | 61.5 | Low | 63.1 | Low | 146 Ų | 146 | 61.1 Ų | 61.1 | 57% | 0.573 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 97.5 | 165.9 | -66.6 | -78.9 | 0 | 0 | 0 | 108.3 | I1404 P1473 | I1404-Y1475 HydrophobicContact CB-CD1 3.79Å; I1404-Y1475 HydrophobicContact CB-CE1 3.95Å; I1404-Y1475 HydrophobicContact CD1-CD1 4.45Å; I1404-Y1475 HydrophobicContact CD1-CE1 3.77Å; I1404-Y1475 HydrophobicContact CG1-CE1 4.44Å; I1404-Y1475 HydrophobicContact CG2-CD1 3.69Å; I1404-Y1475 HydrophobicContact CG2-CE1 3.74Å; I1404-Y1475 VanDerWaalsContact O-CA 3.28Å; I1404-Y1475 WeakPolarHBondContact O-CA 3.2Å; P1473-Y1475 HydrophobicContact CB-CD2 4.09Å; P1473-Y1475 HydrophobicContact CB-CE2 3.77Å; P1473-Y1475 HydrophobicContact CG-CD2 4.39Å; P1473-Y1475 HydrophobicContact CG-CE2 3.6Å; P1473-Y1475 WeakPolarHBondContact O-CD2 3.48Å; P1473-Y1475 PolarHBondContact O-N 3.06Å |
| 1476 | H | 72.1 | Confident | 61.8 | Low | 44 Ų | 44 | 64.6 Ų | 64.6 | 20% | 0.204 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 136.1 | 176 | -168.3 | 78.4 | 0 | 0 | 0 | 110.1 | L1403 I1404 G1405 H1406 E1463 I1465 I1474 F1478 | L1403-H1476 HydrophobicContact CD1-CB 3.58Å; I1404-H1476 PolarHBondContact O-N 3.45Å; G1405-H1476 WeakPolarHBondContact CA-O 3.15Å; H1406-H1476 PolarHBondContact N-O 3.38Å; E1463-H1476 VanDerWaalsContact CD-NE2 3.28Å; E1463-H1476 IonicContact OE1-CE1 3.87Å; E1463-H1476 IonicContact OE1-NE2 2.78Å; E1463-H1476 IonicContact OE2-CD2 3.25Å; E1463-H1476 IonicContact OE2-CE1 3.46Å; E1463-H1476 IonicContact OE2-NE2 3.94Å; E1463-H1476 PolarHBondContact OE2-NE2 3.07Å; I1465-H1476 HydrophobicContact CD1-CB 3.85Å; I1465-H1476 VanDerWaalsContact CD1-CD2 3.47Å; I1465-H1476 WeakPolarHBondContact CD1-CD2 3.18Å; I1474-H1476 HydrophobicContact CG2-CB 4.44Å; I1474-H1476 PolarHBondContact O-N 3.14Å; I1474-H1476 VanDerWaalsContact O-N 3.09Å; H1476-F1478 HydrophobicContact CB-CE2 4.42Å; H1476-F1478 AromaticContact CD2-CD1 3.71Å; H1476-F1478 AromaticContact CD2-CD2 3.74Å; H1476-F1478 AromaticContact CD2-CE1 3.7Å; H1476-F1478 AromaticContact CD2-CE2 3.7Å; H1476-F1478 AromaticContact CD2-CG 3.77Å; H1476-F1478 AromaticContact CD2-CZ 3.72Å; H1476-F1478 AromaticContact NE2-CD1 3.97Å |
| 1477 | V | 79.6 | Confident | 61.7 | Low | 42 Ų | 42 | 61.9 Ų | 61.9 | 26% | 0.255 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 105.5 | 176.1 | -172 | 0 | 0 | 0 | 0 | 107.8 | H1406 R1408 Y1479 | H1406-V1477 HydrophobicContact CB-CG1 4.42Å; H1406-V1477 HydrophobicContact CB-CG2 4.43Å; H1406-V1477 CarbonylContact O-C 3.13Å; H1406-V1477 WeakPolarHBondContact O-CA 3.24Å; R1408-V1477 HydrophobicContact CB-CG1 4.27Å; R1408-V1477 VanDerWaalsContact CD-CG1 3.48Å; R1408-V1477 HydrophobicContact CG-CG1 3.7Å; V1477-Y1479 HydrophobicContact CB-CE1 4.5Å; V1477-Y1479 HydrophobicContact CB-CE2 3.9Å; V1477-Y1479 HydrophobicContact CG1-CD1 4.18Å; V1477-Y1479 HydrophobicContact CG1-CD2 4.42Å; V1477-Y1479 HydrophobicContact CG1-CE1 3.53Å; V1477-Y1479 HydrophobicContact CG1-CE2 3.81Å; V1477-Y1479 WeakPolarHBondContact CG1-OH 3.21Å; V1477-Y1479 WeakPolarHBondContact O-CD2 3.41Å; V1477-Y1479 WeakPolarHBondContact O-CE2 3.44Å |
| 1478 | F | 85.3 | Confident | 61.6 | Low | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 137.6 | 175.7 | -68.5 | -85.8 | 0 | 0 | 0 | 109.5 | L1403 H1406 V1407 R1408 F1440 F1451 L1453 L1461 E1463 I1465 H1476 | L1403-F1478 HydrophobicContact CD1-CE2 4.12Å; L1403-F1478 HydrophobicContact CD1-CZ 4.38Å; L1403-F1478 HydrophobicContact CD2-CE2 3.98Å; L1403-F1478 HydrophobicContact CD2-CZ 3.87Å; L1403-F1478 HydrophobicContact CG-CE2 4.45Å; H1406-F1478 PolarHBondContact O-N 3.24Å; V1407-F1478 HydrophobicContact CG1-CB 4.09Å; R1408-F1478 CarbonylContact C-O 3.59Å; R1408-F1478 WeakPolarHBondContact CA-O 3.3Å; R1408-F1478 PolarHBondContact N-O 3.21Å; R1408-F1478 CarbonylContact O-C 3.56Å; F1440-F1478 AromaticContact CE1-CD2 3.89Å; F1440-F1478 HydrophobicContact CE1-CD2 3.89Å; F1440-F1478 AromaticContact CE1-CE2 3.83Å; F1440-F1478 HydrophobicContact CE1-CE2 3.83Å; F1440-F1478 AromaticContact CZ-CD2 3.97Å; F1440-F1478 HydrophobicContact CZ-CD2 3.97Å; F1440-F1478 AromaticContact CZ-CE2 3.42Å; F1440-F1478 HydrophobicContact CZ-CE2 3.42Å; F1440-F1478 VanDerWaalsContact CZ-CE2 3.42Å; F1440-F1478 HydrophobicContact CZ-CZ 4.2Å; F1451-F1478 HydrophobicContact CB-CE1 3.89Å; F1451-F1478 HydrophobicContact CB-CZ 4.08Å; F1451-F1478 HydrophobicContact CD2-CE1 4.46Å; F1451-F1478 HydrophobicContact CD2-CZ 4.1Å; F1451-F1478 HydrophobicContact CG-CE1 4.32Å; F1451-F1478 HydrophobicContact CG-CZ 4.04Å; L1453-F1478 HydrophobicContact CD1-CD1 3.35Å; L1453-F1478 HydrophobicContact CD1-CE1 3.43Å; L1453-F1478 VanDerWaalsContact CD1-CE1 3.43Å; L1453-F1478 HydrophobicContact CD1-CG 3.93Å; L1453-F1478 HydrophobicContact CD1-CZ 4.08Å; L1453-F1478 HydrophobicContact CD2-CB 3.64Å; L1453-F1478 HydrophobicContact CD2-CD1 3.9Å; L1453-F1478 HydrophobicContact CD2-CD2 3.99Å; L1453-F1478 HydrophobicContact CD2-CG 3.56Å; L1453-F1478 HydrophobicContact CG-CD1 4.3Å; L1453-F1478 HydrophobicContact CG-CG 4.44Å; L1461-F1478 HydrophobicContact CD2-CB 3.86Å; L1461-F1478 HydrophobicContact CD2-CD1 4.06Å; L1461-F1478 HydrophobicContact CD2-CG 4.47Å; E1463-F1478 HydrophobicContact CB-CE1 4.45Å; I1465-F1478 HydrophobicContact CD1-CE1 3.75Å; I1465-F1478 HydrophobicContact CD1-CE2 4.12Å; I1465-F1478 HydrophobicContact CD1-CZ 3.32Å; H1476-F1478 HydrophobicContact CB-CE2 4.42Å; H1476-F1478 AromaticContact CD2-CD1 3.71Å; H1476-F1478 AromaticContact CD2-CD2 3.74Å; H1476-F1478 AromaticContact CD2-CE1 3.7Å; H1476-F1478 AromaticContact CD2-CE2 3.7Å; H1476-F1478 AromaticContact CD2-CG 3.77Å; H1476-F1478 AromaticContact CD2-CZ 3.72Å; H1476-F1478 AromaticContact NE2-CD1 3.97Å |
| 1479 | Y | 86.2 | Confident | 62 | Low | 101 Ų | 101 | 69.4 Ų | 69.4 | 40% | 0.396 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 86 | -172 | -74 | -57.7 | 0 | 0 | 0 | 111.3 | R1408 D1409 N1412 V1477 | R1408-Y1479 HydrophobicContact CB-CD1 4.19Å; R1408-Y1479 HydrophobicContact CB-CE1 4.19Å; R1408-Y1479 CarbonylContact O-C 3.17Å; R1408-Y1479 VanDerWaalsContact O-CA 3.23Å; R1408-Y1479 WeakPolarHBondContact O-CA 3.46Å; D1409-Y1479 CarbonylContact O-C 3.57Å; D1409-Y1479 WeakPolarHBondContact O-CA 3.47Å; D1409-Y1479 WeakPolarHBondContact O-CB 3.27Å; D1409-Y1479 WeakPolarHBondContact O-CD1 3.35Å; N1412-Y1479 PolarHBondContact OD1-OH 2.88Å; V1477-Y1479 HydrophobicContact CB-CE1 4.5Å; V1477-Y1479 HydrophobicContact CB-CE2 3.9Å; V1477-Y1479 HydrophobicContact CG1-CD1 4.18Å; V1477-Y1479 HydrophobicContact CG1-CD2 4.42Å; V1477-Y1479 HydrophobicContact CG1-CE1 3.53Å; V1477-Y1479 HydrophobicContact CG1-CE2 3.81Å; V1477-Y1479 WeakPolarHBondContact CG1-OH 3.21Å; V1477-Y1479 WeakPolarHBondContact O-CD2 3.41Å; V1477-Y1479 WeakPolarHBondContact O-CE2 3.44Å |
| 1480 | M | 83.4 | Confident | 62.7 | Low | 1 Ų | 1 | 73.9 Ų | 73.9 | 1% | 0.005 | 40% | 0.402 | C | S | . | . | trans | -70.7 | 166.5 | -179.3 | -55.7 | -160.7 | 83.4 | 0 | 0 | 113.1 | V1407 R1408 D1409 I1415 V1418 L1453 Y1458 L1461 L1574 | V1407-M1480 HydrophobicContact CG1-CG 3.87Å; V1407-M1480 HydrophobicContact CG1-SD 3.81Å; R1408-M1480 PolarHBondContact O-N 3.33Å; D1409-M1480 CarbonylContact C-O 3.34Å; D1409-M1480 WeakPolarHBondContact CA-O 3.45Å; D1409-M1480 HydrophobicContact CB-CB 4.46Å; D1409-M1480 WeakPolarHBondContact CB-O 3.49Å; I1415-M1480 HydrophobicContact CD1-CB 4.13Å; I1415-M1480 HydrophobicContact CD1-CG 4.14Å; I1415-M1480 HydrophobicContact CD1-SD 4.26Å; V1418-M1480 HydrophobicContact CG1-SD 4.05Å; V1418-M1480 HydrophobicContact CG2-SD 4.49Å; L1453-M1480 HydrophobicContact CB-CE 3.82Å; L1453-M1480 HydrophobicContact CB-SD 4.24Å; L1453-M1480 WeakPolarHBondContact O-CE 2.88Å; Y1458-M1480 HydrophobicContact CD1-CB 4.2Å; Y1458-M1480 HydrophobicContact CD2-CB 3.41Å; Y1458-M1480 VanDerWaalsContact CD2-CB 3.41Å; Y1458-M1480 HydrophobicContact CD2-CG 4.16Å; Y1458-M1480 HydrophobicContact CD2-SD 3.84Å; Y1458-M1480 HydrophobicContact CE2-CB 4.08Å; Y1458-M1480 HydrophobicContact CG-CB 3.57Å; Y1458-M1480 HydrophobicContact CG-SD 4.33Å; L1461-M1480 HydrophobicContact CB-CE 4.04Å; L1461-M1480 HydrophobicContact CB-CG 4.17Å; L1461-M1480 HydrophobicContact CD2-CG 4.01Å; M1480-L1574 HydrophobicContact SD-CD1 3.98Å | ||
| 1481 | K | 79.9 | Confident | 63.5 | Low | 134 Ų | 134 | 77.7 Ų | 77.7 | 58% | 0.583 | 41% | 0.411 | S | S | * | . | B | Isolated β-bridge | trans | -138.9 | 134 | -170.2 | -73.4 | 179.9 | -178.1 | 165.5 | 0 | 116.1 | Y1458 L1459 V1483 | Y1458-K1481 VanDerWaalsContact CD1-O 3.27Å; Y1458-K1481 WeakPolarHBondContact CD1-O 3.01Å; L1459-K1481 HydrophobicContact CB-CB 4.35Å; L1459-K1481 WeakPolarHBondContact CB-O 3.22Å; L1459-K1481 HydrophobicContact CD1-CB 3.94Å; L1459-K1481 WeakPolarHBondContact CG-O 3.03Å; L1459-K1481 PolarHBondContact N-O 2.81Å; K1481-V1483 PolarHBondContact O-N 3.21Å |
| 1482 | H | 73.3 | Confident | 64.9 | Low | 96 Ų | 96 | 78.8 Ų | 78.8 | 44% | 0.444 | 42% | 0.421 | S | S | . | . | trans | -63.4 | 121.5 | -171.9 | -161.4 | -54.3 | 0 | 0 | 0 | 113.1 | Y1458 G1484 Y1573 | Y1458-H1482 HydrophobicContact CE1-CB 4.24Å; H1482-G1484 WeakPolarHBondContact ND1-CA 3.27Å; H1482-G1484 PolarHBondContact ND1-N 2.5Å; H1482-G1484 PolarHBondContact O-N 2.96Å; H1482-Y1573 AromaticContact CE1-CD2 3.29Å; H1482-Y1573 WeakPolarHBondContact CE1-CD2 3.31Å; H1482-Y1573 AromaticContact CE1-CG 3.88Å; H1482-Y1573 VanDerWaalsContact CG-CB 3.48Å; H1482-Y1573 AromaticContact ND1-CD2 3.53Å; H1482-Y1573 AromaticContact ND1-CG 3.71Å; H1482-Y1573 AromaticContact NE2-CD2 3.91Å | ||
| 1483 | V | 64.4 | Low | 66.2 | Low | 63 Ų | 63 | 82.3 Ų | 82.3 | 38% | 0.382 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -77 | 46.5 | 170.7 | -156.6 | 0 | 0 | 0 | 0 | 110.9 | G1457 L1459 K1481 G1485 Y1573 | G1457-V1483 WeakPolarHBondContact O-CG2 3.5Å; L1459-V1483 HydrophobicContact CB-CG2 4.45Å; L1459-V1483 HydrophobicContact CD2-CG1 4.3Å; L1459-V1483 HydrophobicContact CD2-CG2 3.76Å; L1459-V1483 HydrophobicContact CG-CG2 3.67Å; K1481-V1483 PolarHBondContact O-N 3.21Å; V1483-G1485 PolarHBondContact O-N 3.24Å; V1483-Y1573 HydrophobicContact CB-CD1 3.59Å; V1483-Y1573 HydrophobicContact CB-CE1 3.28Å; V1483-Y1573 HydrophobicContact CB-CG 4.44Å; V1483-Y1573 HydrophobicContact CG2-CD1 3.47Å; V1483-Y1573 VanDerWaalsContact CG2-CD1 3.47Å; V1483-Y1573 HydrophobicContact CG2-CE1 3.35Å; V1483-Y1573 VanDerWaalsContact N-CD1 3.31Å |
| 1484 | G | 56 | Low | 67.4 | Low | 38 Ų | 38 | 84.8 Ų | 84.8 | 39% | 0.392 | 44% | 0.436 | S | S | . | . | trans | -91.4 | 26.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112 | H1482 L1486 | H1482-G1484 WeakPolarHBondContact ND1-CA 3.27Å; H1482-G1484 PolarHBondContact ND1-N 2.5Å; H1482-G1484 PolarHBondContact O-N 2.96Å; G1484-L1486 CarbonylContact O-C 2.85Å; G1484-L1486 PolarHBondContact O-N 2.66Å | ||
| 1485 | G | 52.7 | Low | 68.6 | Low | 71 Ų | 71 | 87.9 Ų | 87.9 | 73% | 0.732 | 46% | 0.457 | S | S | * | . | trans | -63.4 | 10.8 | -159 | 0 | 0 | 0 | 0 | 0 | 118.6 | V1483 | V1483-G1485 PolarHBondContact O-N 3.24Š| ||
| 1486 | L | 47.4 | Very low | 69.4 | Low | 84 Ų | 84 | 83.8 Ų | 83.8 | 44% | 0.44 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -138.7 | 108.1 | 163.9 | -72.6 | 174.4 | 0 | 0 | 0 | 108.1 | G1484 Y1490 R1491 | G1484-L1486 CarbonylContact O-C 2.85Å; G1484-L1486 PolarHBondContact O-N 2.66Å; L1486-Y1490 HydrophobicContact CD2-CD1 4.04Å; L1486-Y1490 HydrophobicContact CD2-CG 4.38Å; L1486-R1491 HydrophobicContact CB-CG 3.85Å; L1486-R1491 PolarHBondContact O-NE 3.29Å |
| 1487 | S | 57.5 | Low | 69.8 | Low | 52 Ų | 52 | 86.3 Ų | 86.3 | 36% | 0.364 | 46% | 0.462 | S | S | . | . | trans | -59.1 | 157.7 | 176 | 64.1 | 0 | 0 | 0 | 0 | 111.4 | T1489 Y1490 R1491 | S1487-T1489 PolarHBondContact O-N 2.98Å; S1487-T1489 VanDerWaalsContact O-N 3.16Å; S1487-T1489 PolarHBondContact OG-OG1 2.9Å; S1487-Y1490 CarbonylContact O-C 3.56Å; S1487-Y1490 WeakPolarHBondContact O-CA 3.01Å; S1487-Y1490 PolarHBondContact O-N 2.74Å; S1487-Y1490 PolarHBondContact OG-N 3.11Å; S1487-R1491 PolarHBondContact O-N 3.1Å | ||
| 1488 | P | 56.5 | Low | 69.9 | Low | 113 Ų | 113 | 87.6 Ų | 87.6 | 73% | 0.734 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -53.1 | -39 | 179.1 | -28.2 | 36.1 | 0 | 0 | 0 | 113 | R1491 L1492 | P1488-R1491 PolarHBondContact O-N 3.39Å; P1488-L1492 WeakPolarHBondContact O-CB 3.12Å; P1488-L1492 PolarHBondContact O-N 3.49Å |
| 1489 | T | 61.4 | Low | 69.8 | Low | 98 Ų | 98 | 90.2 Ų | 90.2 | 60% | 0.601 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.1 | -40 | 171.8 | 37.1 | 0 | 0 | 0 | 0 | 113.5 | S1487 L1492 Y1493 | S1487-T1489 PolarHBondContact O-N 2.98Å; S1487-T1489 VanDerWaalsContact O-N 3.16Å; S1487-T1489 PolarHBondContact OG-OG1 2.9Å; T1489-L1492 PolarHBondContact O-N 3.35Å; T1489-Y1493 WeakPolarHBondContact O-CB 3.32Å; T1489-Y1493 PolarHBondContact O-N 3.35Å |
| 1490 | Y | 65.8 | Low | 70 | Confident | 150 Ų | 150 | 88 Ų | 88 | 59% | 0.588 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -72.7 | -37.2 | 176.8 | -118.4 | -84.6 | 0 | 0 | 0 | 112.3 | L1486 S1487 L1492 Y1493 V1494 | L1486-Y1490 HydrophobicContact CD2-CD1 4.04Å; L1486-Y1490 HydrophobicContact CD2-CG 4.38Å; S1487-Y1490 CarbonylContact O-C 3.56Å; S1487-Y1490 WeakPolarHBondContact O-CA 3.01Å; S1487-Y1490 PolarHBondContact O-N 2.74Å; S1487-Y1490 PolarHBondContact OG-N 3.11Å; Y1490-L1492 VanDerWaalsContact C-N 3.34Å; Y1490-Y1493 PolarHBondContact O-N 2.97Å; Y1490-V1494 WeakPolarHBondContact O-CG2 3.09Å; Y1490-V1494 PolarHBondContact O-N 3.07Å |
| 1491 | R | 60.1 | Low | 70.1 | Confident | 158 Ų | 158 | 92.2 Ų | 92.2 | 60% | 0.596 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60 | -45.6 | 170.6 | -67.2 | -173.8 | -179.6 | -155.7 | -3.7 | 110.8 | L1486 S1487 P1488 Y1493 V1494 V1495 | L1486-R1491 HydrophobicContact CB-CG 3.85Å; L1486-R1491 PolarHBondContact O-NE 3.29Å; S1487-R1491 PolarHBondContact O-N 3.1Å; P1488-R1491 PolarHBondContact O-N 3.39Å; R1491-Y1493 VanDerWaalsContact C-N 3.35Å; R1491-Y1493 PolarHBondContact O-N 2.95Å; R1491-V1494 PolarHBondContact O-N 2.82Å; R1491-V1495 WeakPolarHBondContact O-CB 3.12Å; R1491-V1495 WeakPolarHBondContact O-CG2 3.04Å; R1491-V1495 PolarHBondContact O-N 3.31Å |
| 1492 | L | 70.6 | Confident | 70.4 | Confident | 130 Ų | 130 | 91.4 Ų | 91.4 | 68% | 0.681 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.1 | -40.8 | 176 | -160.8 | 75.1 | 0 | 0 | 0 | 111.9 | P1488 T1489 Y1490 S1496 | P1488-L1492 WeakPolarHBondContact O-CB 3.12Å; P1488-L1492 PolarHBondContact O-N 3.49Å; T1489-L1492 PolarHBondContact O-N 3.35Å; Y1490-L1492 VanDerWaalsContact C-N 3.34Å; L1492-S1496 WeakPolarHBondContact O-CB 2.98Å; L1492-S1496 PolarHBondContact O-N 3.15Å |
| 1493 | Y | 74.1 | Confident | 71 | Confident | 163 Ų | 163 | 89.1 Ų | 89.1 | 64% | 0.639 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64 | -42.4 | 175.3 | -114.5 | -82.7 | 0 | 0 | 0 | 113 | T1489 Y1490 R1491 S1496 M1497 | T1489-Y1493 WeakPolarHBondContact O-CB 3.32Å; T1489-Y1493 PolarHBondContact O-N 3.35Å; Y1490-Y1493 PolarHBondContact O-N 2.97Å; R1491-Y1493 VanDerWaalsContact C-N 3.35Å; R1491-Y1493 PolarHBondContact O-N 2.95Å; Y1493-S1496 PolarHBondContact O-N 2.78Å; Y1493-M1497 WeakPolarHBondContact O-CB 3.49Å; Y1493-M1497 VanDerWaalsContact O-CG 3.3Å; Y1493-M1497 WeakPolarHBondContact O-CG 3.25Å; Y1493-M1497 PolarHBondContact O-N 2.94Å |
| 1494 | V | 74.2 | Confident | 72.2 | Confident | 68 Ų | 68 | 92.3 Ų | 92.3 | 41% | 0.412 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.8 | -40.5 | 178.3 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | Y1490 R1491 T1498 | Y1490-V1494 WeakPolarHBondContact O-CG2 3.09Å; Y1490-V1494 PolarHBondContact O-N 3.07Å; R1491-V1494 PolarHBondContact O-N 2.82Å; V1494-T1498 HydrophobicContact CG1-CG2 4.44Å; V1494-T1498 WeakPolarHBondContact O-CB 2.98Å; V1494-T1498 WeakPolarHBondContact O-CG2 3.32Å; V1494-T1498 PolarHBondContact O-N 3.02Å; V1494-T1498 PolarHBondContact O-OG1 3.36Å |
| 1495 | V | 78.8 | Confident | 73.6 | Confident | 94 Ų | 94 | 97.9 Ų | 97.9 | 57% | 0.57 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.6 | -41 | 173.2 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | R1491 T1498 A1499 | R1491-V1495 WeakPolarHBondContact O-CB 3.12Å; R1491-V1495 WeakPolarHBondContact O-CG2 3.04Å; R1491-V1495 PolarHBondContact O-N 3.31Å; V1495-T1498 WeakPolarHBondContact CA-OG1 3.47Å; V1495-T1498 PolarHBondContact O-OG1 3Å; V1495-A1499 WeakPolarHBondContact O-CB 3.29Å; V1495-A1499 PolarHBondContact O-N 3.25Å |
| 1496 | S | 78.7 | Confident | 75.1 | Confident | 60 Ų | 60 | 97.5 Ų | 97.5 | 42% | 0.42 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.2 | -51.1 | 174.9 | 174.1 | 0 | 0 | 0 | 0 | 111.8 | L1492 Y1493 T1498 A1499 S1500 | L1492-S1496 WeakPolarHBondContact O-CB 2.98Å; L1492-S1496 PolarHBondContact O-N 3.15Å; Y1493-S1496 PolarHBondContact O-N 2.78Å; S1496-T1498 PolarHBondContact O-N 3.13Å; S1496-A1499 PolarHBondContact O-N 2.85Å; S1496-S1500 WeakPolarHBondContact O-CB 3.07Å; S1496-S1500 PolarHBondContact O-N 3.36Å; S1496-S1500 PolarHBondContact O-OG 3.1Å |
| 1497 | M | 80.7 | Confident | 77 | Confident | 97 Ų | 97 | 96.9 Ų | 96.9 | 48% | 0.478 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 178.1 | -76.5 | -74.3 | 100.8 | 0 | 0 | 112 | Y1493 S1500 I1501 | Y1493-M1497 WeakPolarHBondContact O-CB 3.49Å; Y1493-M1497 VanDerWaalsContact O-CG 3.3Å; Y1493-M1497 WeakPolarHBondContact O-CG 3.25Å; Y1493-M1497 PolarHBondContact O-N 2.94Å; M1497-S1500 PolarHBondContact O-N 2.78Å; M1497-I1501 WeakPolarHBondContact O-CB 3.25Å; M1497-I1501 WeakPolarHBondContact O-CD1 3.17Å; M1497-I1501 WeakPolarHBondContact O-CG1 3.04Å; M1497-I1501 PolarHBondContact O-N 3.05Å |
| 1498 | T | 81.6 | Confident | 78.5 | Confident | 68 Ų | 68 | 96.2 Ų | 96.2 | 42% | 0.417 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.6 | -41.2 | 178.1 | 50.1 | 0 | 0 | 0 | 0 | 111.9 | V1494 V1495 S1496 I1501 I1502 | V1494-T1498 HydrophobicContact CG1-CG2 4.44Å; V1494-T1498 WeakPolarHBondContact O-CB 2.98Å; V1494-T1498 WeakPolarHBondContact O-CG2 3.32Å; V1494-T1498 PolarHBondContact O-N 3.02Å; V1494-T1498 PolarHBondContact O-OG1 3.36Å; V1495-T1498 WeakPolarHBondContact CA-OG1 3.47Å; V1495-T1498 PolarHBondContact O-OG1 3Å; S1496-T1498 PolarHBondContact O-N 3.13Å; T1498-I1501 PolarHBondContact O-N 3.32Å; T1498-I1502 WeakPolarHBondContact O-CB 2.86Å; T1498-I1502 WeakPolarHBondContact O-CD1 2.82Å; T1498-I1502 WeakPolarHBondContact O-CG1 3.27Å; T1498-I1502 PolarHBondContact O-N 3.3Å |
| 1499 | A | 82.9 | Confident | 79.7 | Confident | 56 Ų | 56 | 95.2 Ų | 95.2 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62 | -43.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1495 S1496 I1502 A1503 | V1495-A1499 WeakPolarHBondContact O-CB 3.29Å; V1495-A1499 PolarHBondContact O-N 3.25Å; S1496-A1499 PolarHBondContact O-N 2.85Å; A1499-I1502 PolarHBondContact O-N 3.42Å; A1499-A1503 WeakPolarHBondContact O-CB 3.4Å; A1499-A1503 PolarHBondContact O-N 3.27Å |
| 1500 | S | 89.8 | Confident | 80.7 | Confident | 55 Ų | 55 | 94.4 Ų | 94.4 | 39% | 0.385 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.2 | -39 | 175.2 | -66.2 | 0 | 0 | 0 | 0 | 112.8 | S1496 M1497 A1503 L1504 | S1496-S1500 WeakPolarHBondContact O-CB 3.07Å; S1496-S1500 PolarHBondContact O-N 3.36Å; S1496-S1500 PolarHBondContact O-OG 3.1Å; M1497-S1500 PolarHBondContact O-N 2.78Å; S1500-A1503 PolarHBondContact O-N 2.85Å; S1500-L1504 WeakPolarHBondContact O-CB 3.4Å; S1500-L1504 VanDerWaalsContact O-CG 3.28Å; S1500-L1504 WeakPolarHBondContact O-CG 3.46Å; S1500-L1504 PolarHBondContact O-N 2.83Å |
| 1501 | I | 86.2 | Confident | 81.6 | Confident | 89 Ų | 89 | 92.9 Ų | 92.9 | 46% | 0.456 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.7 | -42.4 | 175.4 | -71.1 | 163.9 | 0 | 0 | 0 | 110.3 | M1497 T1498 L1504 F1505 | M1497-I1501 WeakPolarHBondContact O-CB 3.25Å; M1497-I1501 WeakPolarHBondContact O-CD1 3.17Å; M1497-I1501 WeakPolarHBondContact O-CG1 3.04Å; M1497-I1501 PolarHBondContact O-N 3.05Å; T1498-I1501 PolarHBondContact O-N 3.32Å; I1501-L1504 PolarHBondContact O-N 3.33Å; I1501-F1505 HydrophobicContact CG2-CD2 3.96Å; I1501-F1505 HydrophobicContact CG2-CE2 4.35Å; I1501-F1505 WeakPolarHBondContact O-CB 2.79Å; I1501-F1505 PolarHBondContact O-N 3.4Å |
| 1502 | I | 86.1 | Confident | 82.6 | Confident | 117 Ų | 117 | 90.8 Ų | 90.8 | 60% | 0.6 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.7 | -40.6 | 175.7 | -69.9 | 164.5 | 0 | 0 | 0 | 110.9 | T1498 A1499 F1505 S1506 | T1498-I1502 WeakPolarHBondContact O-CB 2.86Å; T1498-I1502 WeakPolarHBondContact O-CD1 2.82Å; T1498-I1502 WeakPolarHBondContact O-CG1 3.27Å; T1498-I1502 PolarHBondContact O-N 3.3Å; A1499-I1502 PolarHBondContact O-N 3.42Å; I1502-F1505 PolarHBondContact O-N 3.43Å; I1502-S1506 WeakPolarHBondContact O-CB 3.45Å; I1502-S1506 PolarHBondContact O-N 2.83Å; I1502-S1506 PolarHBondContact O-OG 2.71Å |
| 1503 | A | 86.2 | Confident | 82.9 | Confident | 48 Ų | 48 | 88 Ų | 88 | 40% | 0.397 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1499 S1500 F1505 S1506 C1507 | A1499-A1503 WeakPolarHBondContact O-CB 3.4Å; A1499-A1503 PolarHBondContact O-N 3.27Å; S1500-A1503 PolarHBondContact O-N 2.85Å; A1503-F1505 VanDerWaalsContact C-N 3.34Å; A1503-S1506 PolarHBondContact O-N 2.21Å; A1503-S1506 PolarHBondContact O-OG 3.21Å; A1503-C1507 WeakPolarHBondContact O-CB 3.03Å; A1503-C1507 PolarHBondContact O-N 2.9Å |
| 1504 | L | 89.8 | Confident | 83 | Confident | 129 Ų | 129 | 84.1 Ų | 84.1 | 68% | 0.675 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.4 | -35.2 | 174.3 | -74.5 | 169.5 | 0 | 0 | 0 | 112 | S1500 I1501 G1508 | S1500-L1504 WeakPolarHBondContact O-CB 3.4Å; S1500-L1504 VanDerWaalsContact O-CG 3.28Å; S1500-L1504 WeakPolarHBondContact O-CG 3.46Å; S1500-L1504 PolarHBondContact O-N 2.83Å; I1501-L1504 PolarHBondContact O-N 3.33Å; L1504-G1508 WeakPolarHBondContact O-CA 3.47Å; L1504-G1508 PolarHBondContact O-N 2.23Å |
| 1505 | F | 85 | Confident | 82.9 | Confident | 156 Ų | 156 | 86.9 Ų | 86.9 | 68% | 0.684 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -70.2 | -35.4 | 171.9 | -102.1 | -85.7 | 0 | 0 | 0 | 112.3 | I1501 I1502 A1503 L1509 | I1501-F1505 HydrophobicContact CG2-CD2 3.96Å; I1501-F1505 HydrophobicContact CG2-CE2 4.35Å; I1501-F1505 WeakPolarHBondContact O-CB 2.79Å; I1501-F1505 PolarHBondContact O-N 3.4Å; I1502-F1505 PolarHBondContact O-N 3.43Å; A1503-F1505 VanDerWaalsContact C-N 3.34Å; F1505-L1509 WeakPolarHBondContact O-CA 3.31Å; F1505-L1509 WeakPolarHBondContact O-CB 3.29Å; F1505-L1509 PolarHBondContact O-N 2.21Å |
| 1506 | S | 83.7 | Confident | 82.3 | Confident | 63 Ų | 63 | 89.6 Ų | 89.6 | 44% | 0.441 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -74.4 | -40.7 | 178 | 71.8 | 0 | 0 | 0 | 0 | 112 | I1502 A1503 T1510 | I1502-S1506 WeakPolarHBondContact O-CB 3.45Å; I1502-S1506 PolarHBondContact O-N 2.83Å; I1502-S1506 PolarHBondContact O-OG 2.71Å; A1503-S1506 PolarHBondContact O-N 2.21Å; A1503-S1506 PolarHBondContact O-OG 3.21Å; S1506-T1510 WeakPolarHBondContact O-CB 3.45Å; S1506-T1510 WeakPolarHBondContact O-CG2 3.2Å; S1506-T1510 PolarHBondContact O-N 2.69Å; S1506-T1510 PolarHBondContact O-OG1 3.37Å |
| 1507 | C | 87.8 | Confident | 81.6 | Confident | 71 Ų | 71 | 95.4 Ų | 95.4 | 48% | 0.48 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.3 | -46.6 | 168.1 | -77.9 | 0 | 0 | 0 | 0 | 111.5 | A1503 L1509 T1510 I1511 | A1503-C1507 WeakPolarHBondContact O-CB 3.03Å; A1503-C1507 PolarHBondContact O-N 2.9Å; C1507-L1509 VanDerWaalsContact C-N 3.35Å; C1507-L1509 PolarHBondContact O-N 2.22Å; C1507-T1510 WeakPolarHBondContact CA-OG1 3.36Å; C1507-T1510 PolarHBondContact O-N 2.89Å; C1507-T1510 PolarHBondContact O-OG1 3.3Å; C1507-I1511 WeakPolarHBondContact O-CB 3.36Å; C1507-I1511 WeakPolarHBondContact O-CD1 3.44Å; C1507-I1511 WeakPolarHBondContact O-CG1 3.43Å; C1507-I1511 PolarHBondContact O-N 2.94Å |
| 1508 | G | 87.8 | Confident | 80.7 | Confident | 37 Ų | 37 | 95.9 Ų | 95.9 | 38% | 0.381 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1504 Y1512 | L1504-G1508 WeakPolarHBondContact O-CA 3.47Å; L1504-G1508 PolarHBondContact O-N 2.23Å; G1508-Y1512 WeakPolarHBondContact O-CB 3.31Å; G1508-Y1512 PolarHBondContact O-N 3.31Å |
| 1509 | L | 82.8 | Confident | 79.4 | Confident | 92 Ų | 92 | 96.5 Ų | 96.5 | 48% | 0.482 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.6 | -38.8 | 177.1 | -177.3 | 63.9 | 0 | 0 | 0 | 112 | F1505 C1507 Y1512 L1513 | F1505-L1509 WeakPolarHBondContact O-CA 3.31Å; F1505-L1509 WeakPolarHBondContact O-CB 3.29Å; F1505-L1509 PolarHBondContact O-N 2.21Å; C1507-L1509 VanDerWaalsContact C-N 3.35Å; C1507-L1509 PolarHBondContact O-N 2.22Å; L1509-Y1512 HydrophobicContact CD1-CD1 4.4Å; L1509-Y1512 PolarHBondContact O-N 3.08Å; L1509-L1513 HydrophobicContact CD1-CD1 4.12Å; L1509-L1513 HydrophobicContact CD1-CG 4.12Å; L1509-L1513 HydrophobicContact CG-CD1 3.91Å; L1509-L1513 HydrophobicContact CG-CG 4.33Å; L1509-L1513 VanDerWaalsContact O-CB 3.24Å; L1509-L1513 WeakPolarHBondContact O-CB 3.4Å; L1509-L1513 WeakPolarHBondContact O-CG 3.38Å; L1509-L1513 PolarHBondContact O-N 3.2Å |
| 1510 | T | 82.2 | Confident | 77.4 | Confident | 81 Ų | 81 | 100.3 Ų | 100.3 | 50% | 0.497 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.1 | -44.5 | 174.4 | 44.2 | 0 | 0 | 0 | 0 | 111.5 | S1506 C1507 Y1512 L1513 C1514 | S1506-T1510 WeakPolarHBondContact O-CB 3.45Å; S1506-T1510 WeakPolarHBondContact O-CG2 3.2Å; S1506-T1510 PolarHBondContact O-N 2.69Å; S1506-T1510 PolarHBondContact O-OG1 3.37Å; C1507-T1510 WeakPolarHBondContact CA-OG1 3.36Å; C1507-T1510 PolarHBondContact O-N 2.89Å; C1507-T1510 PolarHBondContact O-OG1 3.3Å; T1510-Y1512 VanDerWaalsContact C-N 3.35Å; T1510-Y1512 PolarHBondContact O-N 2.72Å; T1510-L1513 PolarHBondContact O-N 3.33Å; T1510-C1514 WeakPolarHBondContact O-CB 3.25Å; T1510-C1514 PolarHBondContact O-N 2.92Å; T1510-C1514 PolarHBondContact O-SG 2.64Å |
| 1511 | I | 85.1 | Confident | 75 | Confident | 119 Ų | 119 | 102.6 Ų | 102.6 | 61% | 0.61 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.4 | -45.1 | 172.1 | -67.8 | 165.3 | 0 | 0 | 0 | 110.7 | C1507 C1514 Y1515 | C1507-I1511 WeakPolarHBondContact O-CB 3.36Å; C1507-I1511 WeakPolarHBondContact O-CD1 3.44Å; C1507-I1511 WeakPolarHBondContact O-CG1 3.43Å; C1507-I1511 PolarHBondContact O-N 2.94Å; I1511-C1514 PolarHBondContact O-N 3.12Å; I1511-Y1515 VanDerWaalsContact O-CB 3.25Å; I1511-Y1515 WeakPolarHBondContact O-CB 3.12Å; I1511-Y1515 PolarHBondContact O-N 2.91Å |
| 1512 | Y | 79.7 | Confident | 72.6 | Confident | 114 Ų | 114 | 108.2 Ų | 108.2 | 45% | 0.447 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.2 | -39.8 | 178 | 175.3 | -105.9 | 0 | 0 | 0 | 112.7 | G1508 L1509 T1510 Y1515 R1516 | G1508-Y1512 WeakPolarHBondContact O-CB 3.31Å; G1508-Y1512 PolarHBondContact O-N 3.31Å; L1509-Y1512 HydrophobicContact CD1-CD1 4.4Å; L1509-Y1512 PolarHBondContact O-N 3.08Å; T1510-Y1512 VanDerWaalsContact C-N 3.35Å; T1510-Y1512 PolarHBondContact O-N 2.72Å; Y1512-Y1515 PolarHBondContact O-N 2.78Å; Y1512-R1516 WeakPolarHBondContact O-CB 3.43Å; Y1512-R1516 PolarHBondContact O-N 3.21Å; Y1512-R1516 PolarHBondContact OH-NH1 3.23Å |
| 1513 | L | 77.7 | Confident | 70.3 | Confident | 72 Ų | 72 | 108.1 Ų | 108.1 | 38% | 0.377 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.9 | -44.7 | 176 | -75.1 | 170.3 | 0 | 0 | 0 | 111 | L1509 T1510 R1516 F1517 | L1509-L1513 HydrophobicContact CD1-CD1 4.12Å; L1509-L1513 HydrophobicContact CD1-CG 4.12Å; L1509-L1513 HydrophobicContact CG-CD1 3.91Å; L1509-L1513 HydrophobicContact CG-CG 4.33Å; L1509-L1513 VanDerWaalsContact O-CB 3.24Å; L1509-L1513 WeakPolarHBondContact O-CB 3.4Å; L1509-L1513 WeakPolarHBondContact O-CG 3.38Å; L1509-L1513 PolarHBondContact O-N 3.2Å; T1510-L1513 PolarHBondContact O-N 3.33Å; L1513-R1516 PolarHBondContact O-N 3.21Å; L1513-F1517 HydrophobicContact CD2-CE2 4.46Å; L1513-F1517 WeakPolarHBondContact O-CB 3.46Å; L1513-F1517 WeakPolarHBondContact O-CD2 3.38Å; L1513-F1517 PolarHBondContact O-N 3.06Å |
| 1514 | C | 76.2 | Confident | 68.2 | Low | 81 Ų | 81 | 111.1 Ų | 111.1 | 55% | 0.547 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -57.3 | -49.8 | 171.6 | -71.4 | 0 | 0 | 0 | 0 | 111.2 | T1510 I1511 R1516 F1517 C1518 | T1510-C1514 WeakPolarHBondContact O-CB 3.25Å; T1510-C1514 PolarHBondContact O-N 2.92Å; T1510-C1514 PolarHBondContact O-SG 2.64Å; I1511-C1514 PolarHBondContact O-N 3.12Å; C1514-R1516 PolarHBondContact O-N 3.18Å; C1514-F1517 PolarHBondContact O-N 3.16Å; C1514-C1518 WeakPolarHBondContact O-CB 3.37Å; C1514-C1518 PolarHBondContact O-N 2.98Å; C1514-C1518 PolarHBondContact O-SG 2.83Å |
| 1515 | Y | 72.3 | Confident | 65.3 | Low | 126 Ų | 126 | 114.7 Ų | 114.7 | 49% | 0.494 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.9 | -40.2 | 177.4 | -179 | -100.2 | 0 | 0 | 0 | 112.8 | I1511 Y1512 C1519 Y1520 | I1511-Y1515 VanDerWaalsContact O-CB 3.25Å; I1511-Y1515 WeakPolarHBondContact O-CB 3.12Å; I1511-Y1515 PolarHBondContact O-N 2.91Å; Y1512-Y1515 PolarHBondContact O-N 2.78Å; Y1515-C1519 HydrophobicContact CD2-CB 3.94Å; Y1515-C1519 HydrophobicContact CE2-CB 3.77Å; Y1515-C1519 HydrophobicContact CG-CB 4.5Å; Y1515-C1519 WeakPolarHBondContact O-CA 3.37Å; Y1515-C1519 VanDerWaalsContact O-CB 3.28Å; Y1515-C1519 WeakPolarHBondContact O-CB 3.32Å; Y1515-C1519 PolarHBondContact O-N 3.2Å; Y1515-Y1520 AromaticContact CE1-CD2 3.8Å; Y1515-Y1520 HydrophobicContact CE1-CD2 3.8Å; Y1515-Y1520 HydrophobicContact CE1-CG 4.5Å |
| 1516 | R | 65.7 | Low | 63 | Low | 150 Ų | 150 | 112 Ų | 112 | 57% | 0.566 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -72.4 | -38.2 | -178.5 | -168 | 176.7 | -170.7 | -179.9 | 1.4 | 112.3 | Y1512 L1513 C1514 | Y1512-R1516 WeakPolarHBondContact O-CB 3.43Å; Y1512-R1516 PolarHBondContact O-N 3.21Å; Y1512-R1516 PolarHBondContact OH-NH1 3.23Å; L1513-R1516 PolarHBondContact O-N 3.21Å; C1514-R1516 PolarHBondContact O-N 3.18Å |
| 1517 | F | 64.9 | Low | 60.5 | Low | 182 Ų | 182 | 115.3 Ų | 115.3 | 80% | 0.798 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -74.3 | -34.4 | 173.6 | -87.4 | -77.3 | 0 | 0 | 0 | 112.9 | L1513 C1514 | L1513-F1517 HydrophobicContact CD2-CE2 4.46Å; L1513-F1517 WeakPolarHBondContact O-CB 3.46Å; L1513-F1517 WeakPolarHBondContact O-CD2 3.38Å; L1513-F1517 PolarHBondContact O-N 3.06Å; C1514-F1517 PolarHBondContact O-N 3.16Å |
| 1518 | C | 61.7 | Low | 57.7 | Low | 107 Ų | 107 | 118.6 Ų | 118.6 | 72% | 0.723 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -89.5 | -27.6 | -177.5 | -65.3 | 0 | 0 | 0 | 0 | 114.9 | C1514 | C1514-C1518 WeakPolarHBondContact O-CB 3.37Å; C1514-C1518 PolarHBondContact O-N 2.98Å; C1514-C1518 PolarHBondContact O-SG 2.83Å |
| 1519 | C | 54.8 | Low | 54.7 | Low | 81 Ų | 81 | 126.9 Ų | 126.9 | 55% | 0.547 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -131 | -19.1 | -163.7 | -58.7 | 0 | 0 | 0 | 0 | 116.9 | Y1515 | Y1515-C1519 HydrophobicContact CD2-CB 3.94Å; Y1515-C1519 HydrophobicContact CE2-CB 3.77Å; Y1515-C1519 HydrophobicContact CG-CB 4.5Å; Y1515-C1519 WeakPolarHBondContact O-CA 3.37Å; Y1515-C1519 VanDerWaalsContact O-CB 3.28Å; Y1515-C1519 WeakPolarHBondContact O-CB 3.32Å; Y1515-C1519 PolarHBondContact O-N 3.2Å |
| 1520 | Y | 39.6 | Very low | 52.5 | Low | 137 Ų | 137 | 134.2 Ų | 134.2 | 54% | 0.537 | 66% | 0.661 | S | S | . | * | trans | -113.1 | 36.2 | -168.3 | -129.8 | -87.6 | 0 | 0 | 0 | 117 | Y1515 R1522 | Y1515-Y1520 AromaticContact CE1-CD2 3.8Å; Y1515-Y1520 HydrophobicContact CE1-CD2 3.8Å; Y1515-Y1520 HydrophobicContact CE1-CG 4.5Å; Y1520-R1522 WeakPolarHBondContact CE1-O 3.08Å; Y1520-R1522 PolarHBondContact O-N 3.35Å | ||
| 1521 | A | 39.7 | Very low | 50.1 | Low | 103 Ų | 103 | 135.5 Ų | 135.5 | 85% | 0.851 | 67% | 0.673 | S | S | * | * | trans | -76.5 | 53.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1522 | R | 36.5 | Very low | 47.4 | Very low | 206 Ų | 206 | 135 Ų | 135 | 78% | 0.777 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -160.9 | 128.2 | 172.9 | -111.8 | 156.9 | -167.1 | 179.4 | 3.5 | 115.5 | Y1520 | Y1520-R1522 WeakPolarHBondContact CE1-O 3.08Å; Y1520-R1522 PolarHBondContact O-N 3.35Å |
| 1523 | T | 37.9 | Very low | 45.1 | Very low | 115 Ų | 115 | 133 Ų | 133 | 71% | 0.706 | 70% | 0.702 | S | S | * | * | trans | 58.3 | 121.5 | 149.6 | 50 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1524 | P | 40.8 | Very low | 42.8 | Very low | 111 Ų | 111 | 139.6 Ų | 139.6 | 72% | 0.721 | 73% | 0.727 | S | S | * | * | trans | -96.6 | -172.8 | 159.4 | 37.2 | -29.4 | 0 | 0 | 0 | 113.1 | ||||
| 1525 | Y | 28.8 | Very low | 40.7 | Very low | 205 Ų | 205 | 141 Ų | 141 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | trans | 79.2 | 100.6 | 174 | -69 | -77 | 0 | 0 | 0 | 119.8 | I1527 | Y1525-I1527 HydrophobicContact CD1-CD1 4.06Å; Y1525-I1527 HydrophobicContact CD1-CG1 4.09Å | ||
| 1526 | A | 36.5 | Very low | 38.7 | Very low | 100 Ų | 100 | 141.4 Ų | 141.4 | 83% | 0.826 | 75% | 0.749 | S | S | * | * | trans | -162.7 | 75.7 | 146.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1527 | I | 32.4 | Very low | 37 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 67% | 0.672 | 76% | 0.757 | S | S | * | * | 53.6 | 103.3 | 84.9 | -57.4 | -176.1 | 0 | 0 | 0 | 112.8 | Y1525 | Y1525-I1527 HydrophobicContact CD1-CD1 4.06Å; Y1525-I1527 HydrophobicContact CD1-CG1 4.09Å | |||
| 1528 | E | 28.4 | Very low | 35.2 | Very low | 140 Ų | 140 | 140.7 Ų | 140.7 | 65% | 0.654 | 76% | 0.756 | S | S | * | * | 35.4 | 138.9 | 129.9 | -133.6 | -165 | 126.2 | 0 | 0 | 121 | |||||
| 1529 | R | 25.2 | Very low | 33.6 | Very low | 211 Ų | 211 | 141.7 Ų | 141.7 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | trans | 65.7 | 95.7 | 164.9 | -51 | -173.7 | -168.7 | 174.4 | 8.9 | 117.9 | ||||
| 1530 | R | 36.5 | Very low | 32.3 | Very low | 247 Ų | 247 | 142.3 Ų | 142.3 | 93% | 0.932 | 76% | 0.764 | S | S | * | * | -129.6 | 118.1 | 125.7 | -70 | -167.9 | 175.2 | 175.3 | -0.9 | 110.1 | |||||
| 1531 | S | 31.6 | Very low | 31.6 | Very low | 107 Ų | 107 | 142.9 Ų | 142.9 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | 4.6 | 128.2 | 158.5 | 52.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1532 | A | 29.6 | Very low | 31.1 | Very low | 108 Ų | 108 | 142.5 Ų | 142.5 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | cis | 52.4 | 92.5 | 17.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1533 | G | 30.1 | Very low | 30.6 | Very low | 74 Ų | 74 | 136.8 Ų | 136.8 | 76% | 0.763 | 76% | 0.758 | S | S | * | * | trans | 156.2 | 116.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1534 | K | 28.6 | Very low | 30.1 | Very low | 209 Ų | 209 | 139.3 Ų | 139.3 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | trans | 60.8 | 173.5 | 155.4 | -99.3 | -177.9 | 176.3 | -177.8 | 0 | 118.9 | ||||
| 1535 | S | 32.9 | Very low | 29.4 | Very low | 110 Ų | 110 | 140.4 Ų | 140.4 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | 71.4 | 128.1 | 160.2 | -169.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1536 | D | 31.1 | Very low | 29.3 | Very low | 136 Ų | 136 | 138.7 Ų | 138.7 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | cis | -157.8 | 176 | -27 | -138.1 | -56.5 | 0 | 0 | 0 | 109.8 | K1538 | D1536-K1538 PolarHBondContact O-N 2.91Š| ||
| 1537 | N | 28.7 | Very low | 29 | Very low | 138 Ų | 138 | 139.5 Ų | 139.5 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | trans | -57.8 | 133.5 | 167.4 | -69.4 | -82.1 | 0 | 0 | 0 | 111.4 | ||||
| 1538 | K | 28.5 | Very low | 28.9 | Very low | 178 Ų | 178 | 143.8 Ų | 143.8 | 77% | 0.774 | 76% | 0.761 | S | S | * | * | 164.1 | 154.3 | 119.9 | -89.7 | 156 | -173.4 | 169.5 | 0 | 112.6 | D1536 | D1536-K1538 PolarHBondContact O-N 2.91Š| |||
| 1539 | T | 27.6 | Very low | 28.8 | Very low | 128 Ų | 128 | 148.1 Ų | 148.1 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | 56.9 | 136.5 | 145.3 | 52 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1540 | S | 26.5 | Very low | 28.9 | Very low | 94 Ų | 94 | 141.2 Ų | 141.2 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | cis | -172.7 | -167.4 | -0.9 | 48.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1541 | L | 24.9 | Very low | 28.7 | Very low | 149 Ų | 149 | 134.4 Ų | 134.4 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | trans | -0.5 | 137.6 | 132.9 | -72.8 | 66.2 | 0 | 0 | 0 | 114.6 | ||||
| 1542 | S | 30.9 | Very low | 28.5 | Very low | 96 Ų | 96 | 138.8 Ų | 138.8 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | cis | -154.4 | 142.4 | 33.1 | -145 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1543 | S | 25.3 | Very low | 28.5 | Very low | 85 Ų | 85 | 138.2 Ų | 138.2 | 59% | 0.594 | 75% | 0.745 | S | S | * | * | 52.2 | 115.1 | 56.7 | 171 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1544 | K | 26.2 | Very low | 28.5 | Very low | 168 Ų | 168 | 140.8 Ų | 140.8 | 73% | 0.73 | 74% | 0.741 | S | S | * | * | cis | -153.1 | 174.5 | 2.5 | -113.9 | 167.8 | -175.2 | 172.6 | 0 | 107.8 | ||||
| 1545 | N | 27.3 | Very low | 28.4 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 72% | 0.717 | 72% | 0.72 | S | S | * | * | trans | 6.6 | 128.5 | 137.7 | -37.7 | -8.2 | 0 | 0 | 0 | 113.5 | ||||
| 1546 | Q | 27.4 | Very low | 29 | Very low | 170 Ų | 170 | 134.2 Ų | 134.2 | 79% | 0.794 | 72% | 0.719 | S | S | * | * | -167.7 | 158.8 | 60.1 | -75.5 | 177.5 | -17.5 | 0 | 0 | 110 | |||||
| 1547 | I | 29.2 | Very low | 28.9 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 60% | 0.6 | 72% | 0.715 | S | S | * | * | cis | -143.3 | 111.4 | -19.8 | -102.8 | 153.6 | 0 | 0 | 0 | 104.2 | R1549 | I1547-R1549 VanDerWaalsContact C-N 3.35Å; I1547-R1549 HydrophobicContact CG2-CG 3.94Å; I1547-R1549 PolarHBondContact O-N 3.34Å | ||
| 1548 | K | 30.1 | Very low | 28.8 | Very low | 220 Ų | 220 | 131.6 Ų | 131.6 | 96% | 0.957 | 71% | 0.705 | S | S | * | * | trans | -79.7 | 89.1 | 170.9 | -102.4 | -169.7 | 174.9 | -176 | 0 | 109 | G1550 | K1548-G1550 PolarHBondContact O-N 3.13Š| ||
| 1549 | R | 25.8 | Very low | 29.1 | Very low | 231 Ų | 231 | 127.5 Ų | 127.5 | 87% | 0.872 | 69% | 0.691 | S | S | * | * | trans | -59.1 | 122.9 | 156.9 | -73.1 | 170.7 | 176.1 | 158.9 | -3.4 | 107.8 | I1547 | I1547-R1549 VanDerWaalsContact C-N 3.35Å; I1547-R1549 HydrophobicContact CG2-CG 3.94Å; I1547-R1549 PolarHBondContact O-N 3.34Å | ||
| 1550 | G | 28.7 | Very low | 29.1 | Very low | 66 Ų | 66 | 128.3 Ų | 128.3 | 68% | 0.68 | 69% | 0.691 | S | S | * | * | trans | -152.2 | 57.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | K1548 Y1552 | K1548-G1550 PolarHBondContact O-N 3.13Å; G1550-Y1552 PolarHBondContact O-N 3.42Å | ||
| 1551 | P | 30.7 | Very low | 29.1 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 68% | 0.682 | 69% | 0.688 | S | S | * | * | trans | -84.6 | 59.1 | -162.8 | 38.2 | -37.4 | 0 | 0 | 0 | 111.8 | ||||
| 1552 | Y | 28.9 | Very low | 29.3 | Very low | 199 Ų | 199 | 128.1 Ų | 128.1 | 78% | 0.78 | 68% | 0.678 | S | S | * | * | trans | -107.7 | 66.3 | 166.4 | -70.8 | -70.1 | 0 | 0 | 0 | 110.3 | G1550 L1554 | G1550-Y1552 PolarHBondContact O-N 3.42Å; Y1552-L1554 PolarHBondContact O-N 3.34Å | ||
| 1553 | S | 28 | Very low | 29 | Very low | 95 Ų | 95 | 128 Ų | 128 | 66% | 0.664 | 67% | 0.666 | S | S | * | * | trans | -67.6 | 64.3 | 143.1 | -179.5 | 0 | 0 | 0 | 0 | 109 | L1555 | S1553-L1555 WeakPolarHBondContact O-CB 3.26Å; S1553-L1555 WeakPolarHBondContact O-CG 3.49Å | ||
| 1554 | L | 31.1 | Very low | 29.3 | Very low | 129 Ų | 129 | 127.6 Ų | 127.6 | 68% | 0.675 | 66% | 0.66 | S | S | * | * | trans | -68.5 | 112.5 | 131.2 | -70.4 | 165.5 | 0 | 0 | 0 | 103.3 | Y1552 A1556 | Y1552-L1554 PolarHBondContact O-N 3.34Å; L1554-A1556 VanDerWaalsContact C-N 3.25Å | ||
| 1555 | L | 26.7 | Very low | 29.7 | Very low | 89 Ų | 89 | 123.2 Ų | 123.2 | 47% | 0.466 | 65% | 0.651 | S | S | . | * | cis | 36.8 | 66 | 38.7 | -60.3 | 171.3 | 0 | 0 | 0 | 106 | S1553 L1557 | S1553-L1555 WeakPolarHBondContact O-CB 3.26Å; S1553-L1555 WeakPolarHBondContact O-CG 3.49Å; L1555-L1557 HydrophobicContact CB-CD1 3.65Å; L1555-L1557 HydrophobicContact CB-CG 4Å; L1555-L1557 PolarHBondContact O-N 3.21Å; L1555-L1557 VanDerWaalsContact O-N 3.08Å | ||
| 1556 | A | 44.9 | Very low | 30.7 | Very low | 92 Ų | 92 | 120.2 Ų | 120.2 | 76% | 0.76 | 64% | 0.64 | S | S | * | * | 47.1 | 8.9 | 54.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1554 D1558 | L1554-A1556 VanDerWaalsContact C-N 3.25Å; A1556-D1558 PolarHBondContact O-N 3.43Å | |||
| 1557 | L | 28.7 | Very low | 31.1 | Very low | 121 Ų | 121 | 115.3 Ų | 115.3 | 63% | 0.634 | 62% | 0.62 | S | S | * | * | trans | -59.7 | 123.3 | -177.2 | -104.2 | 137.7 | 0 | 0 | 0 | 106.5 | L1555 | L1555-L1557 HydrophobicContact CB-CD1 3.65Å; L1555-L1557 HydrophobicContact CB-CG 4Å; L1555-L1557 PolarHBondContact O-N 3.21Å; L1555-L1557 VanDerWaalsContact O-N 3.08Å | ||
| 1558 | D | 28.3 | Very low | 31.4 | Very low | 98 Ų | 98 | 112.3 Ų | 112.3 | 52% | 0.524 | 61% | 0.605 | S | S | . | * | 54.3 | 137.1 | 50 | -35.4 | -51.2 | 0 | 0 | 0 | 109.1 | A1556 | A1556-D1558 PolarHBondContact O-N 3.43Š| |||
| 1559 | D | 33.5 | Very low | 31.8 | Very low | 92 Ų | 92 | 101.9 Ų | 101.9 | 49% | 0.492 | 56% | 0.559 | S | S | . | * | cis | -160.5 | 78.4 | -11.6 | -114.7 | -14.5 | 0 | 0 | 0 | 105 | K1646 | D1559-K1646 WeakPolarHBondContact O-CE 3.23Å; D1559-K1646 PolarHBondContact O-NZ 3.2Å | ||
| 1560 | D | 27.6 | Very low | 32.3 | Very low | 145 Ų | 145 | 93 Ų | 93 | 78% | 0.775 | 53% | 0.533 | S | S | * | . | trans | -140.7 | 59.2 | 168.2 | -84.1 | -52.1 | 0 | 0 | 0 | 108.2 | K1646 | D1560-K1646 IonicContact OD1-NZ 3.45Å; D1560-K1646 PolarHBondContact OD1-NZ 3.47Å | ||
| 1561 | I | 27.7 | Very low | 32.7 | Very low | 115 Ų | 115 | 91.6 Ų | 91.6 | 59% | 0.59 | 51% | 0.51 | S | S | * | . | 59.6 | 79.9 | 91.5 | -54.3 | 177.6 | 0 | 0 | 0 | 110.9 | |||||
| 1562 | H | 27.9 | Very low | 33.3 | Very low | 124 Ų | 124 | 89 Ų | 89 | 57% | 0.574 | 49% | 0.49 | S | S | * | . | trans | -148.8 | 101.7 | 141.8 | -103.8 | -77.4 | 0 | 0 | 0 | 106.7 | S1565 S1566 | H1562-S1565 PolarHBondContact ND1-O 3.36Å; H1562-S1566 CarbonylContact C-O 3.55Å; H1562-S1566 WeakPolarHBondContact CB-O 2.26Å; H1562-S1566 PolarHBondContact ND1-OG 3.34Å; H1562-S1566 VanDerWaalsContact O-O 3.09Å | ||
| 1563 | H | 25.7 | Very low | 33.8 | Very low | 92 Ų | 92 | 82.4 Ų | 82.4 | 43% | 0.426 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -161.3 | 52.4 | 175.1 | -99.2 | -35.9 | 0 | 0 | 0 | 108.7 | N1411 N1412 S1566 D1567 N1568 | N1411-H1563 HydrophobicContact CB-CB 4.2Å; N1411-H1563 WeakPolarHBondContact CB-ND1 2.25Å; N1411-H1563 VanDerWaalsContact CG-CD2 3.42Å; N1411-H1563 VanDerWaalsContact CG-NE2 3.32Å; N1411-H1563 CarbonylContact O-C 3.45Å; N1411-H1563 VanDerWaalsContact O-C 3.26Å; N1411-H1563 WeakPolarHBondContact O-CB 3.3Å; N1411-H1563 PolarHBondContact OD1-CD2 2.9Å; N1411-H1563 PolarHBondContact OD1-NE2 3.46Å; N1412-H1563 VanDerWaalsContact CB-O 3.27Å; N1412-H1563 WeakPolarHBondContact CB-O 3.39Å; H1563-S1566 PolarHBondContact N-O 3.23Å; H1563-D1567 CarbonylContact C-O 3.58Å; H1563-N1568 PolarHBondContact CE1-O 2.99Å; H1563-N1568 VanDerWaalsContact CE1-O 3.25Å; H1563-N1568 PolarHBondContact ND1-O 3.45Å |
| 1564 | V | 30.6 | Very low | 34 | Very low | 77 Ų | 77 | 78.3 Ų | 78.3 | 47% | 0.467 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -170.8 | 123.2 | 163.6 | 168.7 | 0 | 0 | 0 | 0 | 100.8 | N1412 | N1412-V1564 HydrophobicContact CB-CG2 3.81Å; N1412-V1564 WeakPolarHBondContact ND2-CG2 3.48Å |
| 1565 | S | 35.4 | Very low | 34.5 | Very low | 77 Ų | 77 | 77.2 Ų | 77.2 | 54% | 0.538 | 43% | 0.426 | S | S | . | . | S | Bend | trans | 53.2 | 100.4 | -170.5 | 60.8 | 0 | 0 | 0 | 0 | 112.8 | H1562 | H1562-S1565 PolarHBondContact ND1-O 3.36Š|
| 1566 | S | 47.5 | Very low | 34.9 | Very low | 71 Ų | 71 | 75.4 Ų | 75.4 | 50% | 0.497 | 42% | 0.421 | S | S | . | . | S | Bend | trans | 53.7 | 69.1 | -147.5 | 88.7 | 0 | 0 | 0 | 0 | 111.6 | H1562 H1563 | H1562-S1566 CarbonylContact C-O 3.55Å; H1562-S1566 WeakPolarHBondContact CB-O 2.26Å; H1562-S1566 PolarHBondContact ND1-OG 3.34Å; H1562-S1566 VanDerWaalsContact O-O 3.09Å; H1563-S1566 PolarHBondContact N-O 3.23Å |
| 1567 | D | 35.9 | Very low | 33.9 | Very low | 67 Ų | 67 | 73.8 Ų | 73.8 | 36% | 0.358 | 40% | 0.398 | S | S | . | . | cis | -169.4 | -148.4 | -8.7 | -127.8 | 16.7 | 0 | 0 | 0 | 107.3 | Q1413 H1563 N1569 | Q1413-D1567 VanDerWaalsContact CD-C 3.49Å; Q1413-D1567 PolarHBondContact NE2-OD1 3.47Å; H1563-D1567 CarbonylContact C-O 3.58Å; D1567-N1569 PolarHBondContact O-N 3.19Å | ||
| 1568 | N | 36.4 | Very low | 34 | Very low | 54 Ų | 54 | 69.4 Ų | 69.4 | 29% | 0.289 | 38% | 0.375 | S | S | . | . | 19.5 | 96.5 | 129.4 | -70.5 | -69.8 | 0 | 0 | 0 | 113.6 | N1411 Q1413 H1563 S1570 D1571 | N1411-N1568 VanDerWaalsContact CB-O 3.24Å; N1411-N1568 WeakPolarHBondContact CB-O 3.45Å; N1411-N1568 CarbonylContact O-C 3.53Å; Q1413-N1568 VanDerWaalsContact CD-N 3.33Å; H1563-N1568 PolarHBondContact CE1-O 2.99Å; H1563-N1568 VanDerWaalsContact CE1-O 3.25Å; H1563-N1568 PolarHBondContact ND1-O 3.45Å; N1568-S1570 PolarHBondContact O-N 2.93Å; N1568-D1571 WeakPolarHBondContact OD1-CB 2.23Å | |||
| 1569 | N | 37.8 | Very low | 34.4 | Very low | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 36% | 0.362 | C | S | . | . | S | Bend | -17.9 | 84.9 | 83 | -95.4 | -32.2 | 0 | 0 | 0 | 107.4 | R1408 D1409 S1410 N1411 N1412 Q1413 D1567 D1571 | R1408-N1569 HydrophobicContact CB-CB 4.32Å; R1408-N1569 WeakPolarHBondContact CB-ND2 3.18Å; D1409-N1569 WeakPolarHBondContact CA-OD1 3.32Å; D1409-N1569 VanDerWaalsContact CG-C 3.48Å; D1409-N1569 PolarHBondContact N-OD1 3.49Å; D1409-N1569 VanDerWaalsContact N-OD1 3.12Å; D1409-N1569 WeakPolarHBondContact OD2-CA 2.94Å; D1409-N1569 WeakPolarHBondContact OD2-CB 2.26Å; S1410-N1569 PolarHBondContact N-OD1 2.89Å; N1411-N1569 WeakPolarHBondContact CA-OD1 3.45Å; N1411-N1569 PolarHBondContact N-OD1 3.49Å; N1411-N1569 PolarHBondContact O-N 3.28Å; N1412-N1569 VanDerWaalsContact C-ND2 3.29Å; N1412-N1569 VanDerWaalsContact CA-CG 3.41Å; N1412-N1569 WeakPolarHBondContact CA-ND2 3.47Å; N1412-N1569 PolarHBondContact N-ND2 3.35Å; N1412-N1569 PolarHBondContact N-OD1 2.69Å; Q1413-N1569 HydrophobicContact CB-CB 4.45Å; Q1413-N1569 PolarHBondContact N-ND2 2.79Å; Q1413-N1569 WeakPolarHBondContact O-CB 3.25Å; Q1413-N1569 PolarHBondContact O-ND2 3.29Å; D1567-N1569 PolarHBondContact O-N 3.19Å; N1569-D1571 WeakPolarHBondContact O-CB 2.62Å; N1569-D1571 PolarHBondContact O-N 3.08Å | |
| 1570 | S | 36.6 | Very low | 34.4 | Very low | 45 Ų | 45 | 64.6 Ų | 64.6 | 32% | 0.315 | 35% | 0.346 | S | S | . | . | trans | -77.6 | 82.1 | -178.4 | 54.7 | 0 | 0 | 0 | 0 | 107.5 | D1409 Y1458 N1568 N1572 | D1409-S1570 VanDerWaalsContact CG-C 3.47Å; D1409-S1570 VanDerWaalsContact OD1-C 3.28Å; D1409-S1570 PolarHBondContact OD1-N 3.08Å; D1409-S1570 VanDerWaalsContact OD1-N 3.14Å; D1409-S1570 VanDerWaalsContact OD2-C 3.27Å; D1409-S1570 PolarHBondContact OD2-N 2.91Å; Y1458-S1570 PolarHBondContact OH-O 3.32Å; N1568-S1570 PolarHBondContact O-N 2.93Å; S1570-N1572 PolarHBondContact O-N 3.2Å | ||
| 1571 | D | 37.3 | Very low | 34.5 | Very low | 37 Ų | 37 | 60.3 Ų | 60.3 | 20% | 0.198 | 32% | 0.319 | C | S | . | . | 15.2 | 86.8 | 82.2 | -85.6 | 70.8 | 0 | 0 | 0 | 111.8 | D1409 I1415 P1416 Y1458 N1568 N1569 | D1409-D1571 PolarHBondContact OD2-N 2.61Å; I1415-D1571 VanDerWaalsContact CA-OD1 3.29Å; I1415-D1571 WeakPolarHBondContact CA-OD1 3.19Å; I1415-D1571 WeakPolarHBondContact CG1-OD1 3.39Å; I1415-D1571 PolarHBondContact N-OD1 3.32Å; P1416-D1571 VanDerWaalsContact CD-OD2 3.29Å; P1416-D1571 WeakPolarHBondContact CD-OD2 3.42Å; Y1458-D1571 PolarHBondContact OH-N 3.28Å; N1568-D1571 WeakPolarHBondContact OD1-CB 2.23Å; N1569-D1571 WeakPolarHBondContact O-CB 2.62Å; N1569-D1571 PolarHBondContact O-N 3.08Å | |||
| 1572 | N | 43.3 | Very low | 34.6 | Very low | 49 Ų | 49 | 54.9 Ų | 54.9 | 26% | 0.262 | 29% | 0.291 | S | S | . | . | cis | -150.9 | 131.6 | 7.9 | -93.8 | -48.9 | 0 | 0 | 0 | 111.7 | Y1458 S1570 L1574 E1575 | Y1458-N1572 WeakPolarHBondContact OH-CA 3.39Å; S1570-N1572 PolarHBondContact O-N 3.2Å; N1572-L1574 VanDerWaalsContact C-N 3.34Å; N1572-L1574 HydrophobicContact CB-CB 4.03Å; N1572-L1574 VanDerWaalsContact CG-CB 3.42Å; N1572-L1574 WeakPolarHBondContact OD1-CA 3.4Å; N1572-L1574 WeakPolarHBondContact OD1-CB 3.34Å; N1572-L1574 PolarHBondContact OD1-N 3.32Å; N1572-E1575 HydrophobicContact CB-CG 4.18Å | ||
| 1573 | Y | 39.2 | Very low | 34.9 | Very low | 62 Ų | 62 | 50.7 Ų | 50.7 | 24% | 0.243 | 27% | 0.273 | C | S | . | . | S | Bend | -100.4 | 17.8 | 128.8 | -148.8 | -104.6 | 0 | 0 | 0 | 112.5 | R1456 G1457 Y1458 H1482 V1483 E1575 S1576 | R1456-Y1573 CarbonylContact C-O 3.13Å; R1456-Y1573 CarbonylContact O-C 3.46Å; G1457-Y1573 CarbonylContact C-O 3.46Å; G1457-Y1573 WeakPolarHBondContact O-CD1 3.43Å; G1457-Y1573 WeakPolarHBondContact O-CE1 3.25Å; Y1458-Y1573 WeakPolarHBondContact CA-O 3.41Å; Y1458-Y1573 VanDerWaalsContact CD1-C 3.45Å; Y1458-Y1573 VanDerWaalsContact CZ-N 3.25Å; Y1458-Y1573 PolarHBondContact N-O 3.19Å; Y1458-Y1573 PolarHBondContact OH-N 2.88Å; H1482-Y1573 AromaticContact CE1-CD2 3.29Å; H1482-Y1573 WeakPolarHBondContact CE1-CD2 3.31Å; H1482-Y1573 AromaticContact CE1-CG 3.88Å; H1482-Y1573 VanDerWaalsContact CG-CB 3.48Å; H1482-Y1573 AromaticContact ND1-CD2 3.53Å; H1482-Y1573 AromaticContact ND1-CG 3.71Å; H1482-Y1573 AromaticContact NE2-CD2 3.91Å; V1483-Y1573 HydrophobicContact CB-CD1 3.59Å; V1483-Y1573 HydrophobicContact CB-CE1 3.28Å; V1483-Y1573 HydrophobicContact CB-CG 4.44Å; V1483-Y1573 HydrophobicContact CG2-CD1 3.47Å; V1483-Y1573 VanDerWaalsContact CG2-CD1 3.47Å; V1483-Y1573 HydrophobicContact CG2-CE1 3.35Å; V1483-Y1573 VanDerWaalsContact N-CD1 3.31Å; Y1573-E1575 PolarHBondContact O-N 3.21Å; Y1573-S1576 WeakPolarHBondContact CE1-OG 3.25Å; Y1573-S1576 PolarHBondContact OH-OG 3.4Å | |
| 1574 | L | 32 | Very low | 35.3 | Very low | 8 Ų | 8 | 48.1 Ų | 48.1 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 49.8 | 138.1 | -133 | 87.8 | 0 | 0 | 0 | 110.3 | I1415 P1416 V1418 A1455 R1456 Y1458 M1480 N1572 L1578 | I1415-L1574 HydrophobicContact CG2-CB 3.72Å; I1415-L1574 HydrophobicContact CG2-CD1 3.84Å; I1415-L1574 HydrophobicContact CG2-CD2 3.31Å; I1415-L1574 HydrophobicContact CG2-CG 3.73Å; P1416-L1574 VanDerWaalsContact O-CD2 3.24Å; P1416-L1574 WeakPolarHBondContact O-CD2 3.23Å; V1418-L1574 HydrophobicContact CG2-CD1 3.96Å; V1418-L1574 HydrophobicContact CG2-CD2 3.95Å; A1455-L1574 HydrophobicContact CB-CD1 3.5Å; A1455-L1574 VanDerWaalsContact CB-CD1 3.5Å; A1455-L1574 HydrophobicContact CB-CD2 3.54Å; A1455-L1574 HydrophobicContact CB-CG 3.69Å; A1455-L1574 WeakPolarHBondContact O-CD1 3.33Å; R1456-L1574 VanDerWaalsContact CB-C 3.49Å; R1456-L1574 HydrophobicContact CB-CG 4.09Å; R1456-L1574 WeakPolarHBondContact CB-O 3.43Å; R1456-L1574 VanDerWaalsContact N-CG 3.34Å; R1456-L1574 CarbonylContact O-C 3.4Å; R1456-L1574 WeakPolarHBondContact O-CA 3.25Å; Y1458-L1574 HydrophobicContact CD2-CB 3.81Å; Y1458-L1574 HydrophobicContact CD2-CD1 3.38Å; Y1458-L1574 HydrophobicContact CD2-CG 4.25Å; Y1458-L1574 VanDerWaalsContact CD2-N 3.3Å; Y1458-L1574 HydrophobicContact CE2-CB 3.83Å; Y1458-L1574 HydrophobicContact CE2-CD1 4.13Å; Y1458-L1574 HydrophobicContact CG-CD1 4.16Å; M1480-L1574 HydrophobicContact SD-CD1 3.98Å; N1572-L1574 VanDerWaalsContact C-N 3.34Å; N1572-L1574 HydrophobicContact CB-CB 4.03Å; N1572-L1574 VanDerWaalsContact CG-CB 3.42Å; N1572-L1574 WeakPolarHBondContact OD1-CA 3.4Å; N1572-L1574 WeakPolarHBondContact OD1-CB 3.34Å; N1572-L1574 PolarHBondContact OD1-N 3.32Å; L1574-L1578 HydrophobicContact CD2-CD1 3.76Å |
| 1575 | E | 42.3 | Very low | 35.2 | Very low | 107 Ų | 107 | 47.2 Ų | 47.2 | 50% | 0.5 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.7 | 21.1 | 160.5 | -83.1 | -138.4 | 95.2 | 0 | 0 | 122 | R1456 N1572 Y1573 | R1456-E1575 VanDerWaalsContact CG-C 3.43Å; R1456-E1575 VanDerWaalsContact CZ-O 3.27Å; R1456-E1575 IonicContact CZ-OE1 2.72Å; R1456-E1575 VanDerWaalsContact NE-C 3.26Å; R1456-E1575 PolarHBondContact NE-O 2.91Å; R1456-E1575 IonicContact NE-OE1 3.45Å; R1456-E1575 IonicContact NH1-OE1 3.99Å; R1456-E1575 PolarHBondContact NH1-OE1 2.74Å; R1456-E1575 PolarHBondContact NH2-O 3.43Å; R1456-E1575 IonicContact NH2-OE1 2.78Å; R1456-E1575 PolarHBondContact NH2-OE1 2.82Å; R1456-E1575 CarbonylContact O-C 2.9Å; R1456-E1575 VanDerWaalsContact O-C 3.26Å; R1456-E1575 VanDerWaalsContact O-CA 3.22Å; R1456-E1575 WeakPolarHBondContact O-CA 3.07Å; R1456-E1575 PolarHBondContact O-N 3.39Å; N1572-E1575 HydrophobicContact CB-CG 4.18Å; Y1573-E1575 PolarHBondContact O-N 3.21Å |
| 1576 | S | 34 | Very low | 35.2 | Very low | 50 Ų | 50 | 44.4 Ų | 44.4 | 35% | 0.35 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -132.3 | 50.8 | 156.8 | 78.6 | 0 | 0 | 0 | 0 | 123.5 | R1456 G1457 Y1573 | R1456-S1576 VanDerWaalsContact C-C 3.42Å; R1456-S1576 PolarHBondContact O-N 3.42Å; G1457-S1576 VanDerWaalsContact CA-C 3.42Å; G1457-S1576 VanDerWaalsContact CA-OG 3.23Å; G1457-S1576 WeakPolarHBondContact CA-OG 3.42Å; Y1573-S1576 WeakPolarHBondContact CE1-OG 3.25Å; Y1573-S1576 PolarHBondContact OH-OG 3.4Å |
| 1577 | M | 24.5 | Very low | 34.5 | Very low | 59 Ų | 59 | 43.5 Ų | 43.5 | 29% | 0.291 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -167.5 | -18.7 | 174.1 | -65.8 | -168.5 | -74.7 | 0 | 0 | 120.2 | R1454 R1456 G1457 D1460 K1579 | R1454-M1577 HydrophobicContact CB-CE 3.97Å; R1454-M1577 HydrophobicContact CG-CE 3.98Å; R1454-M1577 HydrophobicContact CG-SD 4.42Å; R1456-M1577 VanDerWaalsContact CA-CA 3.45Å; G1457-M1577 VanDerWaalsContact N-CG 3.32Å; D1460-M1577 WeakPolarHBondContact OD1-CE 3.23Å; M1577-K1579 CarbonylContact C-O 3.53Å |
| 1578 | L | 30.1 | Very low | 34.6 | Very low | 29 Ų | 29 | 42.6 Ų | 42.6 | 15% | 0.152 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -86.7 | 144 | 164.9 | -69.3 | 171.8 | 0 | 0 | 0 | 110.1 | W1417 R1419 A1455 R1456 L1574 | W1417-L1578 HydrophobicContact CB-CD1 3.93Å; W1417-L1578 WeakPolarHBondContact O-CD1 3.38Å; W1417-L1578 WeakPolarHBondContact O-CD2 2.87Å; R1419-L1578 HydrophobicContact CG-CD2 4.17Å; A1455-L1578 HydrophobicContact CB-CD1 3.82Å; A1455-L1578 HydrophobicContact CB-CD2 3.79Å; A1455-L1578 HydrophobicContact CB-CG 3.56Å; R1456-L1578 HydrophobicContact CB-CB 3.67Å; R1456-L1578 HydrophobicContact CB-CD1 4.32Å; R1456-L1578 HydrophobicContact CB-CG 3.94Å; R1456-L1578 VanDerWaalsContact CD-O 3.27Å; R1456-L1578 WeakPolarHBondContact CD-O 3.33Å; R1456-L1578 HydrophobicContact CG-CB 4.03Å; R1456-L1578 WeakPolarHBondContact CG-O 3.46Å; L1574-L1578 HydrophobicContact CD2-CD1 3.76Å |
| 1579 | K | 38.1 | Very low | 34.3 | Very low | 54 Ų | 54 | 48.3 Ų | 48.3 | 24% | 0.235 | 24% | 0.243 | C | C | . | . | trans | 57.9 | 142.5 | -133.1 | -41.2 | 178.2 | -173.4 | -103.5 | 0 | 107.5 | H1336 F1337 L1339 M1577 | H1336-K1579 PolarHBondContact O-NZ 2.97Å; F1337-K1579 VanDerWaalsContact C-CB 3.49Å; F1337-K1579 VanDerWaalsContact C-CG 3.46Å; F1337-K1579 HydrophobicContact CB-CD 4.22Å; F1337-K1579 HydrophobicContact CB-CG 3.78Å; F1337-K1579 HydrophobicContact CD1-CD 3.91Å; F1337-K1579 HydrophobicContact CD1-CG 3.75Å; F1337-K1579 HydrophobicContact CG-CD 4.32Å; F1337-K1579 HydrophobicContact CG-CG 4.18Å; F1337-K1579 VanDerWaalsContact O-CA 3.26Å; F1337-K1579 WeakPolarHBondContact O-CA 3.12Å; F1337-K1579 WeakPolarHBondContact O-CB 3.37Å; F1337-K1579 WeakPolarHBondContact O-CG 3.24Å; L1339-K1579 HydrophobicContact CB-CB 3.64Å; L1339-K1579 WeakPolarHBondContact CB-O 3.34Å; M1577-K1579 CarbonylContact C-O 3.53Å | ||
| 1580 | H | 31.8 | Very low | 34.4 | Very low | 34 Ų | 34 | 54.4 Ų | 54.4 | 16% | 0.157 | 27% | 0.272 | C | S | . | . | S | Bend | cis | -48.4 | 160.3 | -25.2 | -87.2 | -46.1 | 0 | 0 | 0 | 112 | Q1338 L1339 Q1340 S1341 R1419 | Q1338-H1580 WeakPolarHBondContact CA-ND1 3.44Å; Q1338-H1580 VanDerWaalsContact CB-ND1 3.32Å; Q1338-H1580 WeakPolarHBondContact CB-ND1 3.33Å; L1339-H1580 VanDerWaalsContact C-N 3.29Å; L1339-H1580 VanDerWaalsContact N-N 3.13Å; L1339-H1580 PolarHBondContact O-CD2 3.03Å; L1339-H1580 VanDerWaalsContact O-CG 3.22Å; L1339-H1580 PolarHBondContact O-N 3.44Å; Q1340-H1580 VanDerWaalsContact CA-CB 3.49Å; Q1340-H1580 WeakPolarHBondContact CA-CD2 3.33Å; Q1340-H1580 WeakPolarHBondContact CA-CE1 2.87Å; Q1340-H1580 WeakPolarHBondContact CA-ND1 2.83Å; Q1340-H1580 WeakPolarHBondContact CA-NE2 3.32Å; Q1340-H1580 HydrophobicContact CB-CB 4.17Å; Q1340-H1580 WeakPolarHBondContact CB-CE1 3.43Å; Q1340-H1580 WeakPolarHBondContact CB-ND1 2.82Å; Q1340-H1580 HydrophobicContact CG-CB 3.74Å; Q1340-H1580 WeakPolarHBondContact CG-ND1 3.21Å; Q1340-H1580 PolarHBondContact N-CD2 3.5Å; Q1340-H1580 PolarHBondContact N-CE1 3Å; Q1340-H1580 PolarHBondContact N-ND1 3.44Å; Q1340-H1580 PolarHBondContact N-NE2 3.42Å; Q1340-H1580 PolarHBondContact O-CE1 2.83Å; Q1340-H1580 PolarHBondContact O-NE2 3.18Å; S1341-H1580 WeakPolarHBondContact CB-NE2 3.43Å; S1341-H1580 PolarHBondContact N-CD2 2.98Å; S1341-H1580 PolarHBondContact N-NE2 2.86Å; S1341-H1580 PolarHBondContact OG-NE2 3.41Å; R1419-H1580 PolarHBondContact NH2-O 2.93Å |
| 1581 | R | 30.3 | Very low | 34.3 | Very low | 55 Ų | 55 | 58.7 Ų | 58.7 | 21% | 0.208 | 29% | 0.291 | C | S | . | . | trans | 65.3 | 80.1 | 166.2 | -81 | 160 | 168.5 | 173.9 | 2.3 | 113.8 | Q1340 F1345 S1346 P1347 P1348 R1419 | Q1340-R1581 HydrophobicContact CG-CG 3.71Å; F1345-R1581 PolarHBondContact O-NH1 2.72Å; S1346-R1581 VanDerWaalsContact C-CD 3.46Å; S1346-R1581 WeakPolarHBondContact O-CD 3.41Å; P1347-R1581 HydrophobicContact CB-CG 4.32Å; P1348-R1581 HydrophobicContact CG-CB 4.02Å; P1348-R1581 VanDerWaalsContact CG-O 3.25Å; P1348-R1581 WeakPolarHBondContact CG-O 3.4Å; R1419-R1581 PolarHBondContact NH2-O 2.84Å | ||
| 1582 | S | 29.9 | Very low | 34 | Very low | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.014 | 31% | 0.308 | C | S | . | . | cis | 77.7 | 119.1 | 8.9 | 105.7 | 0 | 0 | 0 | 0 | 115.9 | E1333 F1337 Q1340 | E1333-S1582 VanDerWaalsContact CB-CA 3.43Å; E1333-S1582 WeakPolarHBondContact O-CA 3.31Å; E1333-S1582 WeakPolarHBondContact O-CB 3.4Å; E1333-S1582 PolarHBondContact OE2-N 3.23Å; F1337-S1582 WeakPolarHBondContact O-CB 3.32Å; Q1340-S1582 PolarHBondContact NE2-OG 3Å | ||
| 1583 | D | 34.2 | Very low | 33.1 | Very low | 36 Ų | 36 | 62.1 Ų | 62.1 | 19% | 0.193 | 32% | 0.315 | C | S | . | . | trans | 49.9 | 111.3 | -140.2 | -82 | 2.8 | 0 | 0 | 0 | 109.4 | L1331 E1333 T1334 P1348 | L1331-D1583 VanDerWaalsContact O-CG 3.24Å; L1331-D1583 VanDerWaalsContact O-OD1 3.13Å; E1333-D1583 VanDerWaalsContact CB-N 3.31Å; E1333-D1583 VanDerWaalsContact N-CA 3.33Å; T1334-D1583 VanDerWaalsContact CA-N 3.32Å; T1334-D1583 WeakPolarHBondContact CA-OD1 3.43Å; T1334-D1583 WeakPolarHBondContact CB-OD1 3.45Å; T1334-D1583 HydrophobicContact CG2-CB 3.68Å; T1334-D1583 VanDerWaalsContact CG2-OD1 3.27Å; T1334-D1583 WeakPolarHBondContact CG2-OD1 3.41Å; T1334-D1583 PolarHBondContact N-OD1 2.93Å; T1334-D1583 VanDerWaalsContact OG1-CG 3.23Å; T1334-D1583 PolarHBondContact OG1-OD1 2.88Å; P1348-D1583 WeakPolarHBondContact CD-O 3.14Å | ||
| 1584 | K | 33.6 | Very low | 32.7 | Very low | 38 Ų | 38 | 59.1 Ų | 59.1 | 17% | 0.165 | 30% | 0.304 | C | S | . | . | -160.5 | 0 | 74.5 | -110.8 | 124.1 | -170.2 | 56.4 | 0 | 113.4 | L1329 A1330 L1331 E1333 | L1329-K1584 CarbonylContact C-O 2.62Å; L1329-K1584 CarbonylContact O-C 3.48Å; A1330-K1584 VanDerWaalsContact C-CA 3.42Å; A1330-K1584 HydrophobicContact CB-CB 4.1Å; A1330-K1584 VanDerWaalsContact N-C 3.35Å; L1331-K1584 HydrophobicContact CB-CB 4.42Å; L1331-K1584 HydrophobicContact CB-CD 4.34Å; L1331-K1584 HydrophobicContact CB-CG 3.43Å; L1331-K1584 VanDerWaalsContact CB-CG 3.43Å; L1331-K1584 PolarHBondContact O-NZ 3.04Å; E1333-K1584 WeakPolarHBondContact CG-O 3.17Å; E1333-K1584 PolarHBondContact OE2-N 3.11Å | |||
| 1585 | E | 28.5 | Very low | 32.5 | Very low | 57 Ų | 57 | 58.8 Ų | 58.8 | 27% | 0.266 | 30% | 0.302 | S | S | . | . | 0 | 0 | 0 | -90.7 | 174.9 | -37.2 | 0 | 0 | 128.4 | P1327 K1328 L1329 A1330 L1331 E1332 | P1327-E1585 CarbonylContact C-O 3.49Å; P1327-E1585 WeakPolarHBondContact CA-O 3.32Å; K1328-E1585 VanDerWaalsContact C-CB 3.44Å; K1328-E1585 VanDerWaalsContact C-CG 3.49Å; K1328-E1585 VanDerWaalsContact CA-CB 3.45Å; K1328-E1585 HydrophobicContact CB-CG 4.09Å; K1328-E1585 HydrophobicContact CD-CG 4.29Å; K1328-E1585 WeakPolarHBondContact CE-OE2 3.48Å; K1328-E1585 HydrophobicContact CG-CG 3.74Å; K1328-E1585 WeakPolarHBondContact CG-OE2 3.46Å; K1328-E1585 PolarHBondContact N-O 2.9Å; K1328-E1585 VanDerWaalsContact N-O 3.11Å; K1328-E1585 IonicContact NZ-OE2 2.87Å; K1328-E1585 WeakPolarHBondContact O-CG 3.34Å; L1329-E1585 VanDerWaalsContact CA-C 3.47Å; L1329-E1585 PolarHBondContact O-N 3.49Å; L1329-E1585 VanDerWaalsContact O-N 3.1Å; A1330-E1585 CarbonylContact C-O 3.45Å; A1330-E1585 WeakPolarHBondContact CA-O 3.39Å; A1330-E1585 CarbonylContact O-C 3.43Å; L1331-E1585 VanDerWaalsContact C-CB 3.47Å; L1331-E1585 WeakPolarHBondContact CA-O 3.44Å; L1331-E1585 HydrophobicContact CB-CB 4.44Å; L1331-E1585 HydrophobicContact CD1-CB 4.23Å; L1331-E1585 PolarHBondContact N-O 2.81Å; E1332-E1585 HydrophobicContact CB-CB 3.53Å; E1332-E1585 HydrophobicContact CB-CG 3.45Å; E1332-E1585 VanDerWaalsContact CB-CG 3.45Å; E1332-E1585 HydrophobicContact CG-CB 4.31Å; E1332-E1585 HydrophobicContact CG-CG 3.66Å | |||
| 1586 | Y | 36.6 | Very low | 32.6 | Very low | 19 Ų | 19 | 53.7 Ų | 53.7 | 8% | 0.075 | 28% | 0.278 | C | S | . | . | 0 | 62.7 | 0 | -145.1 | -46 | 0 | 0 | 0 | 130 | Q1218 S1324 M1325 N1326 K1328 L1329 A1330 | Q1218-Y1586 HydrophobicContact CG-CE1 4.48Å; S1324-Y1586 PolarHBondContact O-OH 2.72Å; M1325-Y1586 HydrophobicContact CB-CD2 4.5Å; M1325-Y1586 HydrophobicContact CB-CE2 4.05Å; M1325-Y1586 HydrophobicContact CG-CE2 4.41Å; N1326-Y1586 HydrophobicContact CB-CD1 3.36Å; N1326-Y1586 HydrophobicContact CB-CE1 3.76Å; N1326-Y1586 HydrophobicContact CB-CG 3.75Å; N1326-Y1586 WeakPolarHBondContact O-CA 3.44Å; N1326-Y1586 WeakPolarHBondContact O-CB 3.29Å; N1326-Y1586 PolarHBondContact O-N 2.87Å; K1328-Y1586 CarbonylContact C-O 3.36Å; K1328-Y1586 VanDerWaalsContact CA-CA 3.47Å; L1329-Y1586 VanDerWaalsContact C-CB 3.44Å; L1329-Y1586 WeakPolarHBondContact CB-O 3.13Å; L1329-Y1586 PolarHBondContact N-O 2.68Å; A1330-Y1586 VanDerWaalsContact CA-N 3.34Å; A1330-Y1586 HydrophobicContact CB-CD2 4.26Å; A1330-Y1586 VanDerWaalsContact N-CA 3.32Å | |||
| 1587 | S | 32.6 | Very low | 32.6 | Very low | 51 Ų | 51 | 51.3 Ų | 51.3 | 36% | 0.357 | 26% | 0.262 | S | S | . | . | trans | 156 | 67.7 | 171.9 | 49.1 | 0 | 0 | 0 | 0 | 118 | N1326 K1328 | N1326-S1587 WeakPolarHBondContact OD1-CA 3.41Å; N1326-S1587 PolarHBondContact OD1-N 2.99Å; K1328-S1587 VanDerWaalsContact C-N 3.3Å; K1328-S1587 VanDerWaalsContact C-OG 3.31Å; K1328-S1587 VanDerWaalsContact CB-N 3.26Å; K1328-S1587 WeakPolarHBondContact CB-O 2.92Å; K1328-S1587 PolarHBondContact O-OG 3.39Å | ||
| 1588 | A | 36.7 | Very low | 33.5 | Very low | 49 Ų | 49 | 48.5 Ų | 48.5 | 41% | 0.405 | 25% | 0.248 | S | C | . | . | trans | -127.5 | 111.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | N1326 K1328 | N1326-A1588 PolarHBondContact OD1-N 2.53Å; K1328-A1588 HydrophobicContact CB-CB 4.1Å; K1328-A1588 HydrophobicContact CG-CB 4.07Å | ||
| 1589 | Y | 31.8 | Very low | 34.2 | Very low | 174 Ų | 174 | 47.1 Ų | 47.1 | 68% | 0.682 | 24% | 0.24 | S | C | * | . | 64.3 | 123.3 | 98.5 | -67.3 | -67.1 | 0 | 0 | 0 | 112.9 | |||||
| 1590 | E | 38.3 | Very low | 34.5 | Very low | 128 Ų | 128 | 44.7 Ų | 44.7 | 60% | 0.598 | 23% | 0.23 | S | C | * | . | cis | -159.8 | 164.8 | 15.1 | -148.5 | 145.8 | -137.4 | 0 | 0 | 111.3 | ||||
| 1591 | D | 34.4 | Very low | 34.8 | Very low | 135 Ų | 135 | 43.9 Ų | 43.9 | 72% | 0.722 | 23% | 0.227 | S | C | * | . | trans | 64.6 | 141.5 | 164 | -72 | -23.4 | 0 | 0 | 0 | 123.6 | ||||
| 1592 | S | 31.9 | Very low | 35.6 | Very low | 78 Ų | 78 | 41.8 Ų | 41.8 | 55% | 0.545 | 22% | 0.219 | S | C | . | . | trans | 41.6 | 100.4 | 156.7 | 63.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 1593 | D | 25.1 | Very low | 36.1 | Very low | 79 Ų | 79 | 42.4 Ų | 42.4 | 42% | 0.422 | 22% | 0.222 | S | C | . | . | 91.5 | -149.5 | 125.1 | -75.8 | -40.8 | 0 | 0 | 0 | 119.8 | K994 F996 S997 I998 D1595 | K994-D1593 IonicContact NZ-OD1 3.46Å; K994-D1593 PolarHBondContact NZ-OD1 2.89Å; F996-D1593 HydrophobicContact CB-CB 4.09Å; F996-D1593 VanDerWaalsContact CD2-CA 3.47Å; F996-D1593 HydrophobicContact CD2-CB 3.52Å; F996-D1593 WeakPolarHBondContact CD2-OD1 3.47Å; F996-D1593 HydrophobicContact CE2-CB 4.44Å; F996-D1593 HydrophobicContact CG-CB 4.28Å; F996-D1593 CarbonylContact O-C 3.3Å; F996-D1593 WeakPolarHBondContact O-CB 3.44Å; S997-D1593 WeakPolarHBondContact O-CB 3.3Å; I998-D1593 WeakPolarHBondContact CG2-O 3.19Å; D1593-D1595 PolarHBondContact O-N 3.03Å | |||
| 1594 | D | 30 | Very low | 36.6 | Very low | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -56.3 | 100.3 | -147.5 | -80.5 | -68 | 0 | 0 | 0 | 111.9 | F996 S997 I998 I1007 Y1008 A1009 | F996-D1594 WeakPolarHBondContact CA-OD2 3.29Å; F996-D1594 PolarHBondContact N-OD1 3.39Å; F996-D1594 PolarHBondContact N-OD2 2.97Å; F996-D1594 WeakPolarHBondContact O-CA 3.2Å; F996-D1594 WeakPolarHBondContact O-CB 3.19Å; F996-D1594 PolarHBondContact O-N 3Å; S997-D1594 VanDerWaalsContact CA-CB 3.5Å; S997-D1594 WeakPolarHBondContact CA-OD2 2.96Å; S997-D1594 PolarHBondContact N-OD2 3.05Å; I998-D1594 WeakPolarHBondContact CA-O 3.15Å; I998-D1594 WeakPolarHBondContact CB-O 3.27Å; I998-D1594 WeakPolarHBondContact CD1-O 3.28Å; I998-D1594 WeakPolarHBondContact CG1-O 3.04Å; I998-D1594 WeakPolarHBondContact CG2-O 3.38Å; I998-D1594 PolarHBondContact N-O 2.83Å; I1007-D1594 VanDerWaalsContact O-CB 3.27Å; I1007-D1594 WeakPolarHBondContact O-CB 2.89Å; Y1008-D1594 VanDerWaalsContact CA-CG 3.48Å; Y1008-D1594 WeakPolarHBondContact CD1-OD2 3.36Å; A1009-D1594 PolarHBondContact N-OD1 2.69Å |
| 1595 | D | 28.8 | Very low | 36.7 | Very low | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.245 | C | C | . | . | 60.8 | 131.4 | 119.4 | -46.5 | -30.5 | 0 | 0 | 0 | 121 | F996 I998 A1009 T1107 I1109 W1213 D1593 | F996-D1595 VanDerWaalsContact CZ-OD1 3.25Å; F996-D1595 WeakPolarHBondContact CZ-OD1 3.3Å; I998-D1595 VanDerWaalsContact CD1-O 3.29Å; I998-D1595 WeakPolarHBondContact CD1-O 3.25Å; A1009-D1595 WeakPolarHBondContact CA-OD2 3.23Å; A1009-D1595 HydrophobicContact CB-CB 3.17Å; A1009-D1595 VanDerWaalsContact CB-OD2 3.25Å; A1009-D1595 WeakPolarHBondContact CB-OD2 3.14Å; A1009-D1595 PolarHBondContact N-OD2 3Å; T1107-D1595 HydrophobicContact CG2-CB 4.2Å; T1107-D1595 WeakPolarHBondContact CG2-OD1 3.44Å; I1109-D1595 HydrophobicContact CD1-CB 3.57Å; W1213-D1595 VanDerWaalsContact CD1-CA 3.41Å; W1213-D1595 VanDerWaalsContact CE2-CA 3.49Å; W1213-D1595 VanDerWaalsContact NE1-CA 3.27Å; W1213-D1595 PolarHBondContact NE1-OD1 2.89Å; D1593-D1595 PolarHBondContact O-N 3.03Å | |||
| 1596 | N | 42.7 | Very low | 36.8 | Very low | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | -175.2 | 21.4 | 129.8 | -82.1 | 12.2 | 0 | 0 | 0 | 120.2 | I1007 I1066 I1109 P1112 L1210 | I1007-N1596 HydrophobicContact CG2-CB 4.35Å; I1007-N1596 WeakPolarHBondContact CG2-ND2 3.31Å; I1066-N1596 WeakPolarHBondContact CD1-O 3.35Å; I1066-N1596 WeakPolarHBondContact CG1-O 3.32Å; I1109-N1596 HydrophobicContact CD1-CB 4.43Å; I1109-N1596 WeakPolarHBondContact CD1-OD1 3.11Å; I1109-N1596 HydrophobicContact CG2-CB 3.67Å; I1109-N1596 WeakPolarHBondContact CG2-OD1 3.07Å; P1112-N1596 WeakPolarHBondContact CA-ND2 3.32Å; P1112-N1596 HydrophobicContact CB-CB 4.19Å; P1112-N1596 VanDerWaalsContact CB-ND2 3.27Å; P1112-N1596 WeakPolarHBondContact CB-ND2 3.47Å; L1210-N1596 HydrophobicContact CD1-CB 3.96Å; L1210-N1596 WeakPolarHBondContact CD1-O 3.44Å | |||
| 1597 | V | 35.7 | Very low | 36.4 | Very low | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | 71.4 | 168.5 | 138.7 | 141.3 | 0 | 0 | 0 | 0 | 126.8 | A1064 I1066 I1109 W1213 | A1064-V1597 VanDerWaalsContact C-CG1 3.49Å; A1064-V1597 HydrophobicContact CB-CB 3.9Å; A1064-V1597 HydrophobicContact CB-CG1 3.76Å; A1064-V1597 HydrophobicContact CB-CG2 3.18Å; I1066-V1597 HydrophobicContact CB-CG1 3.95Å; I1066-V1597 WeakPolarHBondContact CD1-O 3.05Å; I1066-V1597 HydrophobicContact CG1-CG1 4.11Å; I1109-V1597 HydrophobicContact CB-CB 4.28Å; I1109-V1597 HydrophobicContact CB-CG1 4.17Å; I1109-V1597 HydrophobicContact CD1-CB 3.59Å; I1109-V1597 HydrophobicContact CD1-CG1 4.33Å; I1109-V1597 HydrophobicContact CD1-CG2 3.36Å; I1109-V1597 HydrophobicContact CG1-CB 3.63Å; I1109-V1597 HydrophobicContact CG1-CG1 3.82Å; I1109-V1597 HydrophobicContact CG1-CG2 3.6Å; I1109-V1597 HydrophobicContact CG2-CB 4.39Å; I1109-V1597 HydrophobicContact CG2-CG1 4.49Å; W1213-V1597 HydrophobicContact CE3-CG2 4.35Å; W1213-V1597 VanDerWaalsContact CE3-N 3.29Å; W1213-V1597 HydrophobicContact CH2-CB 4.41Å; W1213-V1597 HydrophobicContact CH2-CG2 3.26Å; W1213-V1597 HydrophobicContact CZ2-CG2 4.3Å; W1213-V1597 HydrophobicContact CZ3-CB 4.03Å; W1213-V1597 HydrophobicContact CZ3-CG2 3.32Å; W1213-V1597 VanDerWaalsContact CZ3-N 3.3Å | ||
| 1598 | N | 42.6 | Very low | 36.2 | Very low | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.32 | C | S | . | . | trans | 119.5 | 0 | 140.6 | -106.5 | 10.8 | 0 | 0 | 0 | 128.7 | A1064 V1065 I1066 I1222 I1223 S1224 L1320 | A1064-N1598 PolarHBondContact O-OD1 2.95Å; V1065-N1598 WeakPolarHBondContact CA-OD1 3.42Å; V1065-N1598 PolarHBondContact N-OD1 2.91Å; I1066-N1598 WeakPolarHBondContact CA-ND2 3.28Å; I1066-N1598 HydrophobicContact CB-CB 3.82Å; I1066-N1598 WeakPolarHBondContact CB-ND2 3.34Å; I1066-N1598 HydrophobicContact CD1-CB 4.26Å; I1066-N1598 HydrophobicContact CG1-CB 4.47Å; I1066-N1598 HydrophobicContact CG2-CB 4.33Å; I1066-N1598 VanDerWaalsContact CG2-ND2 3.32Å; I1066-N1598 WeakPolarHBondContact CG2-ND2 3.46Å; I1066-N1598 PolarHBondContact N-ND2 2.97Å; I1066-N1598 PolarHBondContact N-OD1 3.23Å; I1066-N1598 PolarHBondContact O-ND2 3.01Å; I1222-N1598 WeakPolarHBondContact CD1-O 3.36Å; I1223-N1598 VanDerWaalsContact CA-OD1 3.27Å; I1223-N1598 WeakPolarHBondContact CA-OD1 3.23Å; I1223-N1598 PolarHBondContact N-OD1 3.4Å; I1223-N1598 PolarHBondContact O-ND2 3.32Å; I1223-N1598 PolarHBondContact O-OD1 3.25Å; S1224-N1598 WeakPolarHBondContact CA-ND2 3.49Å; S1224-N1598 WeakPolarHBondContact CB-ND2 3.15Å; S1224-N1598 PolarHBondContact N-ND2 2.85Å; L1320-N1598 VanDerWaalsContact CB-O 3.24Å; L1320-N1598 WeakPolarHBondContact CB-O 3.21Å; L1320-N1598 HydrophobicContact CD1-CB 3.76Å | ||
| 1599 | V | 44.2 | Very low | 35.8 | Very low | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | 0 | 0 | 0 | -179.7 | 0 | 0 | 0 | 0 | 124.1 | I1222 S1224 A1317 L1320 P1355 I1357 | I1222-V1599 VanDerWaalsContact C-CA 3.49Å; I1222-V1599 CarbonylContact C-O 2.54Å; I1222-V1599 WeakPolarHBondContact CA-O 3.33Å; I1222-V1599 WeakPolarHBondContact CB-O 3.46Å; I1222-V1599 WeakPolarHBondContact CG1-O 3.14Å; I1222-V1599 PolarHBondContact N-O 2.77Å; I1222-V1599 CarbonylContact O-C 3.46Å; I1222-V1599 WeakPolarHBondContact O-CA 3.49Å; I1222-V1599 PolarHBondContact O-N 2.88Å; S1224-V1599 VanDerWaalsContact OG-CG2 3.23Å; S1224-V1599 WeakPolarHBondContact OG-CG2 3.38Å; A1317-V1599 HydrophobicContact CB-CG1 3.36Å; A1317-V1599 WeakPolarHBondContact O-CG1 3.45Å; L1320-V1599 HydrophobicContact CB-CB 4.42Å; L1320-V1599 HydrophobicContact CB-CG2 4.35Å; L1320-V1599 HydrophobicContact CD1-CG2 3.93Å; P1355-V1599 CarbonylContact C-O 3.54Å; P1355-V1599 VanDerWaalsContact C-O 3.31Å; P1355-V1599 CarbonylContact O-C 3.59Å; I1357-V1599 VanDerWaalsContact CA-CA 3.4Å; I1357-V1599 VanDerWaalsContact CA-CG1 3.41Å; I1357-V1599 WeakPolarHBondContact O-CG1 3.36Å; I1357-V1599 WeakPolarHBondContact O-CG2 3.15Å | |||
| 1600 | V | 44.7 | Very low | 35.7 | Very low | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.012 | 33% | 0.329 | C | S | . | . | 0 | 150.8 | 0 | -16.9 | 0 | 0 | 0 | 0 | 140.7 | Y1235 E1236 P1355 S1356 I1357 T1393 | Y1235-V1600 WeakPolarHBondContact CA-O 2.97Å; Y1235-V1600 HydrophobicContact CD1-CG2 4.21Å; Y1235-V1600 HydrophobicContact CD2-CB 4.5Å; Y1235-V1600 HydrophobicContact CD2-CG2 3.14Å; Y1235-V1600 HydrophobicContact CE1-CG2 4.02Å; Y1235-V1600 HydrophobicContact CE2-CB 4.18Å; Y1235-V1600 HydrophobicContact CE2-CG2 2.98Å; Y1235-V1600 HydrophobicContact CG-CG2 3.71Å; E1236-V1600 PolarHBondContact N-O 3.19Å; E1236-V1600 VanDerWaalsContact N-O 3.09Å; P1355-V1600 HydrophobicContact CB-CB 3.69Å; P1355-V1600 HydrophobicContact CB-CG1 3.77Å; P1355-V1600 PolarHBondContact O-N 3.28Å; S1356-V1600 CarbonylContact C-O 3.55Å; S1356-V1600 WeakPolarHBondContact CA-O 3.14Å; S1356-V1600 PolarHBondContact N-O 3.48Å; S1356-V1600 CarbonylContact O-C 3.57Å; I1357-V1600 HydrophobicContact CB-CB 4.41Å; I1357-V1600 HydrophobicContact CB-CG2 3.82Å; I1357-V1600 HydrophobicContact CD1-CB 3.85Å; I1357-V1600 HydrophobicContact CD1-CG1 3.42Å; I1357-V1600 VanDerWaalsContact CD1-CG1 3.42Å; I1357-V1600 HydrophobicContact CD1-CG2 3.46Å; I1357-V1600 VanDerWaalsContact CD1-CG2 3.46Å; I1357-V1600 HydrophobicContact CG1-CB 3.56Å; I1357-V1600 HydrophobicContact CG1-CG1 3.51Å; I1357-V1600 HydrophobicContact CG1-CG2 3.32Å; I1357-V1600 HydrophobicContact CG2-CG2 3.73Å; I1357-V1600 PolarHBondContact N-O 3.19Å; I1357-V1600 VanDerWaalsContact N-O 3.07Å; T1393-V1600 HydrophobicContact CG2-CG1 3.62Å | |||
| 1601 | D | 38.2 | Very low | 35.2 | Very low | 17 Ų | 17 | 58.9 Ų | 58.9 | 9% | 0.091 | 34% | 0.337 | C | S | . | . | trans | -121.3 | 94.5 | -152.3 | 62.5 | 137.5 | 0 | 0 | 0 | 126.5 | Y1235 S1252 E1603 | Y1235-D1601 WeakPolarHBondContact CD1-O 3.44Å; Y1235-D1601 HydrophobicContact CE1-CB 4.22Å; Y1235-D1601 VanDerWaalsContact CE1-N 3.3Å; Y1235-D1601 WeakPolarHBondContact CE1-O 3.49Å; Y1235-D1601 WeakPolarHBondContact CE1-OD2 3.39Å; Y1235-D1601 VanDerWaalsContact CZ-OD2 3.31Å; Y1235-D1601 PolarHBondContact OH-OD2 3.21Å; S1252-D1601 WeakPolarHBondContact CB-OD1 3.41Å; S1252-D1601 PolarHBondContact OG-OD1 3.19Å; S1252-D1601 VanDerWaalsContact OG-OD1 3.09Å; D1601-E1603 PolarHBondContact O-N 2.74Å | ||
| 1602 | K | 46.3 | Very low | 34.8 | Very low | 12 Ų | 12 | 57 Ų | 57 | 5% | 0.052 | 32% | 0.324 | C | S | . | . | trans | -77.6 | 99.8 | -164.4 | -148.3 | 99 | 168 | -170.2 | 0 | 123.4 | D1232 I1233 N1234 Y1235 E1236 T1237 Y1253 | D1232-K1602 IonicContact OD2-NZ 2.82Å; D1232-K1602 PolarHBondContact OD2-NZ 3.21Å; I1233-K1602 PolarHBondContact O-NZ 3.21Å; N1234-K1602 PolarHBondContact OD1-NZ 2.82Å; Y1235-K1602 VanDerWaalsContact C-CB 3.49Å; Y1235-K1602 HydrophobicContact CD1-CB 4.37Å; Y1235-K1602 VanDerWaalsContact CD1-N 3.34Å; Y1235-K1602 HydrophobicContact CG-CD 4.24Å; Y1235-K1602 WeakPolarHBondContact O-CB 3.34Å; E1236-K1602 VanDerWaalsContact CA-CB 3.43Å; E1236-K1602 VanDerWaalsContact CA-N 3.27Å; E1236-K1602 VanDerWaalsContact N-N 3.12Å; E1236-K1602 PolarHBondContact O-N 3.3Å; E1236-K1602 WeakPolarHBondContact OE1-CB 3.36Å; T1237-K1602 WeakPolarHBondContact CG2-O 3.48Å; T1237-K1602 PolarHBondContact OG1-O 3.44Å; T1237-K1602 VanDerWaalsContact OG1-O 3.12Å; Y1253-K1602 HydrophobicContact CD2-CB 4.26Å; Y1253-K1602 HydrophobicContact CD2-CD 3.41Å; Y1253-K1602 VanDerWaalsContact CD2-CD 3.41Å; Y1253-K1602 HydrophobicContact CD2-CG 3.48Å; Y1253-K1602 VanDerWaalsContact CD2-CG 3.48Å; Y1253-K1602 HydrophobicContact CE2-CD 3.34Å; Y1253-K1602 HydrophobicContact CE2-CG 3.39Å; Y1253-K1602 HydrophobicContact CG-CD 4.45Å | ||
| 1603 | E | 40.3 | Very low | 34.6 | Very low | 15 Ų | 15 | 58.8 Ų | 58.8 | 7% | 0.07 | 34% | 0.335 | C | S | . | . | trans | -39.7 | 177.7 | 156.3 | -51.3 | -169.7 | -42.4 | 0 | 0 | 124.4 | L1249 S1250 E1251 S1252 Y1253 N1254 D1601 | L1249-E1603 WeakPolarHBondContact O-CA 3.31Å; L1249-E1603 WeakPolarHBondContact O-CB 3.24Å; L1249-E1603 WeakPolarHBondContact O-CG 3.02Å; L1249-E1603 PolarHBondContact O-N 2.86Å; L1249-E1603 VanDerWaalsContact O-N 3.08Å; S1250-E1603 VanDerWaalsContact C-CG 3.49Å; S1250-E1603 VanDerWaalsContact CA-CB 3.41Å; S1250-E1603 VanDerWaalsContact CA-CG 3.41Å; E1251-E1603 WeakPolarHBondContact CA-OE2 3.31Å; E1251-E1603 PolarHBondContact N-OE2 3.27Å; E1251-E1603 VanDerWaalsContact N-OE2 3.08Å; S1252-E1603 PolarHBondContact N-OE2 3.15Å; Y1253-E1603 VanDerWaalsContact C-CD 3.43Å; Y1253-E1603 WeakPolarHBondContact CA-OE2 3.46Å; Y1253-E1603 VanDerWaalsContact CB-CD 3.46Å; Y1253-E1603 VanDerWaalsContact CB-CG 3.47Å; Y1253-E1603 WeakPolarHBondContact CB-OE1 3.49Å; Y1253-E1603 HydrophobicContact CD1-CG 4.45Å; Y1253-E1603 WeakPolarHBondContact CD1-OE1 3.49Å; Y1253-E1603 HydrophobicContact CD2-CB 3.36Å; Y1253-E1603 HydrophobicContact CD2-CG 3.52Å; Y1253-E1603 VanDerWaalsContact CD2-OE1 3.31Å; Y1253-E1603 WeakPolarHBondContact CD2-OE1 3.41Å; Y1253-E1603 WeakPolarHBondContact CE1-OE1 3.39Å; Y1253-E1603 HydrophobicContact CE2-CB 3.83Å; Y1253-E1603 HydrophobicContact CE2-CG 4.42Å; Y1253-E1603 HydrophobicContact CG-CB 3.89Å; Y1253-E1603 HydrophobicContact CG-CG 3.55Å; Y1253-E1603 PolarHBondContact N-OE2 2.71Å; N1254-E1603 WeakPolarHBondContact CA-OE1 3.39Å; N1254-E1603 VanDerWaalsContact CB-OE1 3.26Å; N1254-E1603 WeakPolarHBondContact CB-OE1 3.13Å; N1254-E1603 WeakPolarHBondContact CB-OE2 3.29Å; N1254-E1603 PolarHBondContact N-OE1 2.53Å; N1254-E1603 PolarHBondContact N-OE2 2.75Å; N1254-E1603 PolarHBondContact ND2-OE1 2.91Å; D1601-E1603 PolarHBondContact O-N 2.74Å | ||
| 1604 | E | 45.1 | Very low | 34.9 | Very low | 79 Ų | 79 | 63.5 Ų | 63.5 | 37% | 0.369 | 36% | 0.36 | S | S | . | . | -158.7 | 139.1 | 100.6 | -97.5 | 178.8 | 159.5 | 0 | 0 | 115.5 | S1250 Y1253 | S1250-E1604 VanDerWaalsContact CB-C 3.44Å; S1250-E1604 WeakPolarHBondContact CB-O 3.37Å; S1250-E1604 PolarHBondContact OG-O 3.39Å; Y1253-E1604 HydrophobicContact CE1-CG 4.49Å; Y1253-E1604 HydrophobicContact CE2-CG 3.77Å; Y1253-E1604 PolarHBondContact OH-OE1 2.82Å | |||
| 1605 | L | 35.3 | Very low | 35 | Very low | 91 Ų | 91 | 69.1 Ų | 69.1 | 48% | 0.476 | 39% | 0.394 | S | S | . | . | trans | -73.9 | 164.9 | -176 | -117.7 | 156.3 | 0 | 0 | 0 | 116.2 | S1250 E1251 N1254 | S1250-L1605 WeakPolarHBondContact O-CB 3.35Å; S1250-L1605 WeakPolarHBondContact O-CD1 3.3Å; S1250-L1605 VanDerWaalsContact O-CG 3.24Å; S1250-L1605 WeakPolarHBondContact O-CG 3.08Å; S1250-L1605 PolarHBondContact O-N 3.08Å; S1250-L1605 WeakPolarHBondContact OG-CA 3.48Å; S1250-L1605 PolarHBondContact OG-N 2.67Å; E1251-L1605 HydrophobicContact CB-CD1 4.31Å; E1251-L1605 HydrophobicContact CG-CD1 4.04Å; E1251-L1605 HydrophobicContact CG-CD2 4.45Å; E1251-L1605 HydrophobicContact CG-CG 4.09Å; N1254-L1605 HydrophobicContact CB-CD1 4.12Å; N1254-L1605 PolarHBondContact ND2-N 3.36Å | ||
| 1606 | G | 30.6 | Very low | 35.3 | Very low | 62 Ų | 62 | 74.8 Ų | 74.8 | 64% | 0.639 | 43% | 0.425 | S | S | * | . | trans | -130.4 | 156.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1607 | N | 30.1 | Very low | 35.1 | Very low | 168 Ų | 168 | 81.6 Ų | 81.6 | 90% | 0.898 | 46% | 0.459 | S | S | * | . | trans | -86.4 | 157.7 | -171 | -44.3 | -74 | 0 | 0 | 0 | 114.8 | ||||
| 1608 | C | 27.4 | Very low | 35.1 | Very low | 108 Ų | 108 | 88.9 Ų | 88.9 | 73% | 0.73 | 49% | 0.493 | S | S | * | . | trans | -153.7 | 147.3 | 157.7 | -110.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1609 | E | 28.9 | Very low | 35 | Very low | 160 Ų | 160 | 95.6 Ų | 95.6 | 75% | 0.748 | 52% | 0.524 | S | S | * | . | trans | -103.3 | 150.2 | 176.2 | -62.1 | 178.5 | 105.2 | 0 | 0 | 111.4 | S894 | S894-E1609 WeakPolarHBondContact CB-OE1 3.46Š| ||
| 1610 | I | 28.2 | Very low | 34.8 | Very low | 105 Ų | 105 | 97.9 Ų | 97.9 | 54% | 0.538 | 54% | 0.543 | S | S | . | . | B | Isolated β-bridge | trans | -130.9 | 142.7 | 172.5 | -58.8 | -176.3 | 0 | 0 | 0 | 111.1 | N892 S894 | N892-I1610 HydrophobicContact CB-CD1 4.21Å; N892-I1610 HydrophobicContact CB-CG1 4.34Å; N892-I1610 PolarHBondContact O-N 3.46Å; S894-I1610 PolarHBondContact OG-O 2.88Å |
| 1611 | V | 28.2 | Very low | 34.5 | Very low | 125 Ų | 125 | 101.1 Ų | 101.1 | 76% | 0.758 | 57% | 0.566 | S | S | * | * | trans | -98.1 | 146.1 | -173.5 | 176.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 1612 | E | 27.4 | Very low | 34.4 | Very low | 96 Ų | 96 | 107.7 Ų | 107.7 | 45% | 0.449 | 59% | 0.594 | S | S | . | * | trans | -90.9 | 151.9 | -175.5 | -159.2 | 130.7 | -150.3 | 0 | 0 | 113 | K893 | K893-E1612 IonicContact NZ-OE1 3.47Å; K893-E1612 PolarHBondContact NZ-OE1 3.39Å; K893-E1612 IonicContact NZ-OE2 2.73Å; K893-E1612 PolarHBondContact NZ-OE2 3.02Å | ||
| 1613 | C | 27.8 | Very low | 34.2 | Very low | 115 Ų | 115 | 111.8 Ų | 111.8 | 78% | 0.777 | 62% | 0.615 | S | S | * | * | trans | -148.1 | 123.6 | -178.1 | -83.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1614 | D | 30.5 | Very low | 34.2 | Very low | 178 Ų | 178 | 114.5 Ų | 114.5 | 95% | 0.952 | 63% | 0.633 | S | S | * | * | trans | -68.5 | 140.4 | 172.8 | -94.1 | -46.7 | 0 | 0 | 0 | 113.3 | ||||
| 1615 | V | 32.3 | Very low | 34.1 | Very low | 117 Ų | 117 | 113.8 Ų | 113.8 | 71% | 0.709 | 64% | 0.637 | S | S | * | * | trans | -139.5 | 123.2 | 175.1 | -177.2 | 0 | 0 | 0 | 0 | 111.8 | I1617 | V1615-I1617 PolarHBondContact O-N 2.95Š| ||
| 1616 | D | 34.6 | Very low | 34.3 | Very low | 120 Ų | 120 | 114.3 Ų | 114.3 | 64% | 0.642 | 64% | 0.639 | S | S | * | * | trans | -61.7 | 127.6 | 179.7 | -176.8 | -16.4 | 0 | 0 | 0 | 113 | H1618 Q1619 | D1616-H1618 PolarHBondContact O-N 3.09Å; D1616-H1618 PolarHBondContact OD1-N 3.17Å; D1616-Q1619 PolarHBondContact O-N 2.65Å | ||
| 1617 | I | 38.4 | Very low | 35 | Very low | 144 Ų | 144 | 115.8 Ų | 115.8 | 74% | 0.738 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -49.7 | -30.1 | -178.6 | -64 | 170.9 | 0 | 0 | 0 | 112.6 | V1615 Q1619 A1620 | V1615-I1617 PolarHBondContact O-N 2.95Å; I1617-Q1619 PolarHBondContact O-N 3.03Å; I1617-A1620 WeakPolarHBondContact O-CB 3.48Å; I1617-A1620 PolarHBondContact O-N 3.27Å; I1617-A1620 VanDerWaalsContact O-N 3.07Å |
| 1618 | H | 35.8 | Very low | 35.3 | Very low | 153 Ų | 153 | 114.6 Ų | 114.6 | 71% | 0.708 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.4 | -26.8 | -175.6 | -125.8 | -51.2 | 0 | 0 | 0 | 113.8 | D1616 S1621 | D1616-H1618 PolarHBondContact O-N 3.09Å; D1616-H1618 PolarHBondContact OD1-N 3.17Å; H1618-S1621 PolarHBondContact O-OG 2.72Å |
| 1619 | Q | 41.7 | Very low | 36 | Very low | 140 Ų | 140 | 113.1 Ų | 113.1 | 65% | 0.654 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -80.4 | -31.3 | 173.1 | -65.9 | -154.4 | 30 | 0 | 0 | 113.6 | D1616 I1617 S1621 K1622 I1623 | D1616-Q1619 PolarHBondContact O-N 2.65Å; I1617-Q1619 PolarHBondContact O-N 3.03Å; Q1619-S1621 VanDerWaalsContact C-N 3.27Å; Q1619-S1621 PolarHBondContact O-N 3.1Å; Q1619-K1622 WeakPolarHBondContact O-CB 3.36Å; Q1619-K1622 PolarHBondContact O-N 2.78Å; Q1619-K1622 VanDerWaalsContact O-N 3.1Å; Q1619-I1623 PolarHBondContact O-N 3.19Å |
| 1620 | A | 39.9 | Very low | 36.4 | Very low | 48 Ų | 48 | 113 Ų | 113 | 40% | 0.397 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -55.7 | -43.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | I1617 K1622 I1623 T1624 | I1617-A1620 WeakPolarHBondContact O-CB 3.48Å; I1617-A1620 PolarHBondContact O-N 3.27Å; I1617-A1620 VanDerWaalsContact O-N 3.07Å; A1620-K1622 VanDerWaalsContact C-N 3.27Å; A1620-K1622 PolarHBondContact O-N 2.93Å; A1620-I1623 WeakPolarHBondContact O-CA 3.24Å; A1620-I1623 PolarHBondContact O-N 2.85Å; A1620-T1624 PolarHBondContact O-N 2.94Å; A1620-T1624 PolarHBondContact O-OG1 2.72Å |
| 1621 | S | 37.6 | Very low | 37 | Very low | 71 Ų | 71 | 113.5 Ų | 113.5 | 50% | 0.497 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -52 | -40.1 | 177.2 | 69.2 | 0 | 0 | 0 | 0 | 114.1 | H1618 Q1619 S1625 | H1618-S1621 PolarHBondContact O-OG 2.72Å; Q1619-S1621 VanDerWaalsContact C-N 3.27Å; Q1619-S1621 PolarHBondContact O-N 3.1Å; S1621-S1625 PolarHBondContact O-N 3.31Å; S1621-S1625 VanDerWaalsContact O-N 3.09Å |
| 1622 | K | 36.6 | Very low | 37.4 | Very low | 154 Ų | 154 | 114.5 Ų | 114.5 | 67% | 0.67 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.3 | -44.6 | 175.9 | -101.3 | 177.5 | 176.8 | 172.8 | 0 | 111.3 | Q1619 A1620 S1625 L1626 | Q1619-K1622 WeakPolarHBondContact O-CB 3.36Å; Q1619-K1622 PolarHBondContact O-N 2.78Å; Q1619-K1622 VanDerWaalsContact O-N 3.1Å; A1620-K1622 VanDerWaalsContact C-N 3.27Å; A1620-K1622 PolarHBondContact O-N 2.93Å; K1622-S1625 PolarHBondContact O-N 2.84Å; K1622-S1625 PolarHBondContact O-OG 2.98Å; K1622-L1626 PolarHBondContact O-N 3.13Å; K1622-L1626 VanDerWaalsContact O-N 3.08Å |
| 1623 | I | 41.4 | Very low | 37.9 | Very low | 98 Ų | 98 | 115.7 Ų | 115.7 | 50% | 0.503 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.9 | -45.5 | 179 | -62.7 | 176.6 | 0 | 0 | 0 | 110.4 | Q1619 A1620 S1625 L1626 I1627 | Q1619-I1623 PolarHBondContact O-N 3.19Å; A1620-I1623 WeakPolarHBondContact O-CA 3.24Å; A1620-I1623 PolarHBondContact O-N 2.85Å; I1623-S1625 VanDerWaalsContact C-N 3.29Å; I1623-S1625 PolarHBondContact O-N 3.46Å; I1623-L1626 PolarHBondContact O-N 3.44Å; I1623-L1626 VanDerWaalsContact O-N 3.11Å; I1623-I1627 HydrophobicContact CG2-CD1 3.71Å; I1623-I1627 HydrophobicContact CG2-CG1 4.28Å; I1623-I1627 WeakPolarHBondContact O-CG1 3.46Å; I1623-I1627 PolarHBondContact O-N 3.04Å |
| 1624 | T | 41.1 | Very low | 38.4 | Very low | 73 Ų | 73 | 117.4 Ų | 117.4 | 45% | 0.448 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -59 | -39.5 | 175.7 | -44.2 | 0 | 0 | 0 | 0 | 111.7 | A1620 I1627 K1628 | A1620-T1624 PolarHBondContact O-N 2.94Å; A1620-T1624 PolarHBondContact O-OG1 2.72Å; T1624-I1627 PolarHBondContact O-N 3.41Å; T1624-K1628 WeakPolarHBondContact O-CB 3.46Å; T1624-K1628 WeakPolarHBondContact O-CG 2.92Å; T1624-K1628 PolarHBondContact O-N 3.03Å |
| 1625 | S | 42.2 | Very low | 38.7 | Very low | 63 Ų | 63 | 115 Ų | 115 | 44% | 0.441 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.7 | -39 | 175.8 | 80.6 | 0 | 0 | 0 | 0 | 112.9 | S1621 K1622 I1623 T1629 | S1621-S1625 PolarHBondContact O-N 3.31Å; S1621-S1625 VanDerWaalsContact O-N 3.09Å; K1622-S1625 PolarHBondContact O-N 2.84Å; K1622-S1625 PolarHBondContact O-OG 2.98Å; I1623-S1625 VanDerWaalsContact C-N 3.29Å; I1623-S1625 PolarHBondContact O-N 3.46Å; S1625-T1629 WeakPolarHBondContact O-CB 3.37Å; S1625-T1629 WeakPolarHBondContact O-CG2 3.22Å; S1625-T1629 PolarHBondContact O-N 2.91Å; S1625-T1629 PolarHBondContact O-OG1 3.26Å |
| 1626 | L | 39.7 | Very low | 38.8 | Very low | 102 Ų | 102 | 114.1 Ų | 114.1 | 53% | 0.534 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -72.4 | -34.8 | 177.7 | -79.4 | 163.7 | 0 | 0 | 0 | 112.6 | K1622 I1623 T1629 K1630 | K1622-L1626 PolarHBondContact O-N 3.13Å; K1622-L1626 VanDerWaalsContact O-N 3.08Å; I1623-L1626 PolarHBondContact O-N 3.44Å; I1623-L1626 VanDerWaalsContact O-N 3.11Å; L1626-T1629 WeakPolarHBondContact CA-OG1 3.26Å; L1626-T1629 PolarHBondContact O-OG1 3.17Å; L1626-K1630 WeakPolarHBondContact O-CB 3.29Å; L1626-K1630 WeakPolarHBondContact O-CG 3.04Å; L1626-K1630 PolarHBondContact O-N 2.89Å |
| 1627 | I | 45.1 | Very low | 38.8 | Very low | 93 Ų | 93 | 117.9 Ų | 117.9 | 48% | 0.477 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -71.1 | -50.1 | 175.1 | -68.3 | 174.1 | 0 | 0 | 0 | 110.3 | I1623 T1624 T1629 K1630 L1631 | I1623-I1627 HydrophobicContact CG2-CD1 3.71Å; I1623-I1627 HydrophobicContact CG2-CG1 4.28Å; I1623-I1627 WeakPolarHBondContact O-CG1 3.46Å; I1623-I1627 PolarHBondContact O-N 3.04Å; T1624-I1627 PolarHBondContact O-N 3.41Å; I1627-T1629 VanDerWaalsContact C-N 3.33Å; I1627-T1629 PolarHBondContact O-N 3.09Å; I1627-K1630 PolarHBondContact O-N 3.16Å; I1627-L1631 HydrophobicContact CG2-CD1 3.77Å; I1627-L1631 HydrophobicContact CG2-CG 4.37Å; I1627-L1631 PolarHBondContact O-N 2.81Å |
| 1628 | K | 36.3 | Very low | 38.8 | Very low | 144 Ų | 144 | 120 Ų | 120 | 63% | 0.626 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -58.6 | -42.8 | 177.7 | -74.7 | -166.4 | 174.5 | -168.1 | 0 | 111.7 | T1624 L1631 F1632 | T1624-K1628 WeakPolarHBondContact O-CB 3.46Å; T1624-K1628 WeakPolarHBondContact O-CG 2.92Å; T1624-K1628 PolarHBondContact O-N 3.03Å; K1628-L1631 PolarHBondContact O-N 3.34Å; K1628-F1632 PolarHBondContact O-N 2.93Å; K1628-F1632 VanDerWaalsContact O-N 3.11Å |
| 1629 | T | 41.4 | Very low | 38.8 | Very low | 76 Ų | 76 | 116.7 Ų | 116.7 | 47% | 0.466 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -70.5 | -30.3 | 177.1 | 51 | 0 | 0 | 0 | 0 | 114.2 | S1625 L1626 I1627 N1633 | S1625-T1629 WeakPolarHBondContact O-CB 3.37Å; S1625-T1629 WeakPolarHBondContact O-CG2 3.22Å; S1625-T1629 PolarHBondContact O-N 2.91Å; S1625-T1629 PolarHBondContact O-OG1 3.26Å; L1626-T1629 WeakPolarHBondContact CA-OG1 3.26Å; L1626-T1629 PolarHBondContact O-OG1 3.17Å; I1627-T1629 VanDerWaalsContact C-N 3.33Å; I1627-T1629 PolarHBondContact O-N 3.09Å; T1629-N1633 WeakPolarHBondContact O-CB 3.41Å; T1629-N1633 PolarHBondContact O-ND2 2.85Å |
| 1630 | K | 39.2 | Very low | 38.4 | Very low | 159 Ų | 159 | 114.2 Ų | 114.2 | 69% | 0.691 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -73.5 | -39 | 172.3 | -81.9 | -176.1 | 175.1 | -179.5 | 0 | 113.1 | L1626 I1627 K1634 | L1626-K1630 WeakPolarHBondContact O-CB 3.29Å; L1626-K1630 WeakPolarHBondContact O-CG 3.04Å; L1626-K1630 PolarHBondContact O-N 2.89Å; I1627-K1630 PolarHBondContact O-N 3.16Å; K1630-K1634 WeakPolarHBondContact O-CB 3.44Å; K1630-K1634 PolarHBondContact O-N 2.77Å |
| 1631 | L | 40.2 | Very low | 38.1 | Very low | 114 Ų | 114 | 118.1 Ų | 118.1 | 60% | 0.597 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -69.3 | -50.5 | -179.8 | -72.4 | 172.6 | 0 | 0 | 0 | 112 | I1627 K1628 N1633 K1634 H1635 | I1627-L1631 HydrophobicContact CG2-CD1 3.77Å; I1627-L1631 HydrophobicContact CG2-CG 4.37Å; I1627-L1631 PolarHBondContact O-N 2.81Å; K1628-L1631 PolarHBondContact O-N 3.34Å; L1631-N1633 VanDerWaalsContact C-N 3.34Å; L1631-N1633 PolarHBondContact O-N 2.81Å; L1631-K1634 PolarHBondContact O-N 3.37Å; L1631-H1635 PolarHBondContact O-N 3.05Å |
| 1632 | F | 35.7 | Very low | 38 | Very low | 147 Ų | 147 | 125.6 Ų | 125.6 | 65% | 0.645 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -57.4 | -44.3 | -179.7 | -112 | -91.4 | 0 | 0 | 0 | 112.7 | K1628 K1634 H1635 N1636 | K1628-F1632 PolarHBondContact O-N 2.93Å; K1628-F1632 VanDerWaalsContact O-N 3.11Å; F1632-K1634 VanDerWaalsContact C-N 3.3Å; F1632-K1634 PolarHBondContact O-N 2.91Å; F1632-H1635 PolarHBondContact O-N 3.14Å; F1632-N1636 PolarHBondContact O-N 2.89Å |
| 1633 | N | 39.5 | Very low | 37.8 | Very low | 120 Ų | 120 | 124.8 Ų | 124.8 | 64% | 0.642 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.9 | -22.8 | 179.4 | -77.7 | -57.6 | 0 | 0 | 0 | 113.7 | T1629 L1631 | T1629-N1633 WeakPolarHBondContact O-CB 3.41Å; T1629-N1633 PolarHBondContact O-ND2 2.85Å; L1631-N1633 VanDerWaalsContact C-N 3.34Å; L1631-N1633 PolarHBondContact O-N 2.81Å |
| 1634 | K | 37.2 | Very low | 37.2 | Very low | 152 Ų | 152 | 129 Ų | 129 | 66% | 0.661 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -86.2 | -30.3 | 176.7 | -158.8 | 175.8 | -175.5 | -175.5 | 0 | 112.2 | K1630 L1631 F1632 | K1630-K1634 WeakPolarHBondContact O-CB 3.44Å; K1630-K1634 PolarHBondContact O-N 2.77Å; L1631-K1634 PolarHBondContact O-N 3.37Å; F1632-K1634 VanDerWaalsContact C-N 3.3Å; F1632-K1634 PolarHBondContact O-N 2.91Å |
| 1635 | H | 36.3 | Very low | 36.5 | Very low | 128 Ų | 128 | 129.8 Ų | 129.8 | 59% | 0.593 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -76.2 | -51.5 | -179.2 | -157.7 | 81.9 | 0 | 0 | 0 | 112.5 | L1631 F1632 R1637 R1638 V1639 | L1631-H1635 PolarHBondContact O-N 3.05Å; F1632-H1635 PolarHBondContact O-N 3.14Å; H1635-R1637 PolarHBondContact O-N 3.07Å; H1635-R1637 VanDerWaalsContact O-N 3.14Å; H1635-R1638 PolarHBondContact O-N 3.18Å; H1635-V1639 PolarHBondContact O-N 2.92Å |
| 1636 | N | 35.7 | Very low | 35.8 | Very low | 97 Ų | 97 | 130.9 Ų | 130.9 | 52% | 0.519 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -57.7 | -34.2 | -179.2 | -80.5 | -4 | 0 | 0 | 0 | 113.2 | F1632 R1638 V1639 T1640 | F1632-N1636 PolarHBondContact O-N 2.89Å; N1636-R1638 VanDerWaalsContact C-N 3.28Å; N1636-R1638 PolarHBondContact O-N 2.86Å; N1636-V1639 PolarHBondContact O-N 3.47Å; N1636-T1640 PolarHBondContact O-N 3.19Å; N1636-T1640 VanDerWaalsContact O-N 3.16Å; N1636-T1640 PolarHBondContact O-OG1 3.07Å |
| 1637 | R | 34 | Very low | 35.4 | Very low | 200 Ų | 200 | 132 Ų | 132 | 76% | 0.755 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66.9 | -21.7 | 175.9 | -107.6 | -177 | 174.1 | -173.8 | -2.3 | 114.7 | H1635 | H1635-R1637 PolarHBondContact O-N 3.07Å; H1635-R1637 VanDerWaalsContact O-N 3.14Å |
| 1638 | R | 37.3 | Very low | 34.5 | Very low | 189 Ų | 189 | 138.2 Ų | 138.2 | 71% | 0.713 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -80.3 | -34.2 | 172.9 | -79.6 | -176.4 | 164.2 | -179.7 | -6.5 | 112 | H1635 N1636 | H1635-R1638 PolarHBondContact O-N 3.18Å; N1636-R1638 VanDerWaalsContact C-N 3.28Å; N1636-R1638 PolarHBondContact O-N 2.86Å |
| 1639 | V | 37.1 | Very low | 34.1 | Very low | 83 Ų | 83 | 140.9 Ų | 140.9 | 50% | 0.503 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -74.4 | -47.3 | -178.4 | -176.6 | 0 | 0 | 0 | 0 | 111.4 | H1635 N1636 N1641 R1642 | H1635-V1639 PolarHBondContact O-N 2.92Å; N1636-V1639 PolarHBondContact O-N 3.47Å; V1639-N1641 VanDerWaalsContact C-N 3.31Å; V1639-N1641 PolarHBondContact O-N 3.02Å; V1639-R1642 PolarHBondContact O-N 2.86Å |
| 1640 | T | 32.5 | Very low | 33.4 | Very low | 87 Ų | 87 | 146.1 Ų | 146.1 | 53% | 0.534 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -65 | -32.1 | -174.9 | 54.1 | 0 | 0 | 0 | 0 | 114 | N1636 R1642 | N1636-T1640 PolarHBondContact O-N 3.19Å; N1636-T1640 VanDerWaalsContact O-N 3.16Å; N1636-T1640 PolarHBondContact O-OG1 3.07Å; T1640-R1642 VanDerWaalsContact C-N 3.35Å; T1640-R1642 PolarHBondContact O-N 2.94Å |
| 1641 | N | 34 | Very low | 32.9 | Very low | 130 Ų | 130 | 146.2 Ų | 146.2 | 70% | 0.695 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -8.9 | -172.3 | -76.7 | 35.8 | 0 | 0 | 0 | 114.2 | V1639 | V1639-N1641 VanDerWaalsContact C-N 3.31Å; V1639-N1641 PolarHBondContact O-N 3.02Å |
| 1642 | R | 35.7 | Very low | 32.4 | Very low | 228 Ų | 228 | 145.5 Ų | 145.5 | 86% | 0.86 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -2.4 | 177.9 | -83.2 | -172.1 | 167.8 | -172.9 | -4.5 | 115 | V1639 T1640 | V1639-R1642 PolarHBondContact O-N 2.86Å; T1640-R1642 VanDerWaalsContact C-N 3.35Å; T1640-R1642 PolarHBondContact O-N 2.94Å |
| 1643 | L | 33.2 | Very low | 32.1 | Very low | 138 Ų | 138 | 145.6 Ų | 145.6 | 72% | 0.723 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -101.5 | 8.3 | -174.9 | -77.8 | 167.6 | 0 | 0 | 0 | 115.2 | ||
| 1644 | H | 27.2 | Very low | 31.6 | Very low | 185 Ų | 185 | 147.9 Ų | 147.9 | 86% | 0.856 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -132.7 | 48.3 | -178 | -80.4 | -17.3 | 0 | 0 | 0 | 114.2 | ||
| 1645 | S | 26.3 | Very low | 31.1 | Very low | 91 Ų | 91 | 147.3 Ų | 147.3 | 64% | 0.636 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -145.8 | 148.9 | 155.4 | 71.9 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1646 | K | 29.3 | Very low | 30.7 | Very low | 85 Ų | 85 | 148.8 Ų | 148.8 | 37% | 0.37 | 72% | 0.723 | S | S | . | * | trans | 53.2 | 89.4 | 164.5 | -51.8 | -155.3 | 178.6 | -165.6 | 0 | 118.5 | D1559 D1560 R1648 | D1559-K1646 WeakPolarHBondContact O-CE 3.23Å; D1559-K1646 PolarHBondContact O-NZ 3.2Å; D1560-K1646 IonicContact OD1-NZ 3.45Å; D1560-K1646 PolarHBondContact OD1-NZ 3.47Å; K1646-R1648 PolarHBondContact O-N 2.82Å | ||
| 1647 | S | 30.1 | Very low | 30.3 | Very low | 127 Ų | 127 | 145.3 Ų | 145.3 | 89% | 0.888 | 71% | 0.707 | S | S | * | * | trans | -57.1 | 114.3 | 150.9 | 44.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1648 | R | 26.1 | Very low | 30.2 | Very low | 223 Ų | 223 | 139.3 Ų | 139.3 | 84% | 0.842 | 69% | 0.694 | S | S | * | * | trans | -122.1 | 134.1 | 165.4 | -83.4 | -170 | 171.9 | -177.7 | -0.7 | 111.7 | K1646 | K1646-R1648 PolarHBondContact O-N 2.82Š| ||
| 1649 | K | 27.4 | Very low | 29.7 | Very low | 199 Ų | 199 | 133.3 Ų | 133.3 | 87% | 0.865 | 68% | 0.676 | S | S | * | * | trans | -49.7 | 153 | -172.5 | -60 | 165.5 | 177.9 | 179.2 | 0 | 113.8 | I1651 | K1649-I1651 PolarHBondContact O-N 3.3Š| ||
| 1650 | H | 27 | Very low | 29.4 | Very low | 186 Ų | 186 | 134 Ų | 134 | 86% | 0.861 | 68% | 0.677 | S | S | * | * | trans | -25.2 | 122.8 | 165.6 | -61.8 | -85 | 0 | 0 | 0 | 115.2 | ||||
| 1651 | I | 28.5 | Very low | 29 | Very low | 162 Ų | 162 | 133.4 Ų | 133.4 | 83% | 0.831 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 130.1 | 140.6 | -62.6 | 176.8 | 0 | 0 | 0 | 105.2 | K1649 | K1649-I1651 PolarHBondContact O-N 3.3Š|
| 1652 | P | 29.7 | Very low | 28.8 | Very low | 98 Ų | 98 | 132.6 Ų | 132.6 | 64% | 0.636 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 156.1 | -172.8 | 32.2 | -35.7 | 0 | 0 | 0 | 112.4 | L1654 | P1652-L1654 PolarHBondContact O-N 3.1Š|
| 1653 | N | 29.6 | Very low | 28.4 | Very low | 149 Ų | 149 | 124.5 Ų | 124.5 | 80% | 0.797 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 118.5 | 174 | -54.1 | -17.8 | 0 | 0 | 0 | 110.8 | ||
| 1654 | L | 29.2 | Very low | 28.2 | Very low | 169 Ų | 169 | 123.4 Ų | 123.4 | 89% | 0.885 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 143.5 | 147.5 | -95.4 | 80.2 | 0 | 0 | 0 | 108.7 | P1652 | P1652-L1654 PolarHBondContact O-N 3.1Š|
| 1655 | L | 27.8 | Very low | 28.3 | Very low | 140 Ų | 140 | 117.5 Ų | 117.5 | 73% | 0.733 | 61% | 0.61 | S | S | * | * | trans | -134.4 | 138.9 | -165.8 | -115.6 | 155.6 | 0 | 0 | 0 | 108.1 | ||||
| 1656 | K | 26.5 | Very low | 28.4 | Very low | 158 Ų | 158 | 117.9 Ų | 117.9 | 69% | 0.687 | 60% | 0.602 | S | S | * | * | trans | 81.7 | 107.6 | 170.6 | -47.9 | 157.9 | 179.7 | 178.3 | 0 | 116.5 | T1036 | T1036-K1656 HydrophobicContact CG2-CB 4.22Š| ||
| 1657 | S | 26.8 | Very low | 28.5 | Very low | 25 Ų | 25 | 114.7 Ų | 114.7 | 18% | 0.175 | 59% | 0.589 | C | S | . | * | trans | -161.9 | 55.8 | 145.8 | -141.4 | 0 | 0 | 0 | 0 | 116.7 | T1036 M1037 M1038 D1039 N1659 | T1036-S1657 VanDerWaalsContact C-CA 3.47Å; T1036-S1657 CarbonylContact O-C 3.57Å; M1037-S1657 CarbonylContact C-O 3.54Å; M1037-S1657 PolarHBondContact N-OG 3.44Å; M1038-S1657 CarbonylContact C-O 3.58Å; M1038-S1657 WeakPolarHBondContact CA-O 3.34Å; M1038-S1657 PolarHBondContact N-O 3.42Å; M1038-S1657 PolarHBondContact N-OG 3.43Å; M1038-S1657 VanDerWaalsContact O-CB 3.31Å; M1038-S1657 WeakPolarHBondContact O-CB 3.5Å; D1039-S1657 WeakPolarHBondContact CB-O 3.33Å; D1039-S1657 PolarHBondContact N-O 3.06Å; D1039-S1657 VanDerWaalsContact N-O 3.13Å; D1039-S1657 WeakPolarHBondContact OD2-CA 3.2Å; D1039-S1657 PolarHBondContact OD2-N 3.33Å; S1657-N1659 PolarHBondContact O-N 3.11Å | ||
| 1658 | P | 33.3 | Very low | 28.4 | Very low | 73 Ų | 73 | 115.3 Ų | 115.3 | 47% | 0.474 | 58% | 0.578 | S | S | . | * | trans | -71.1 | 98.1 | -179.2 | 30.5 | -37.7 | 0 | 0 | 0 | 115.2 | T1036 | T1036-P1658 CarbonylContact O-C 3.48Å; T1036-P1658 WeakPolarHBondContact O-CD 3.27Å | ||
| 1659 | N | 26.2 | Very low | 28.5 | Very low | 63 Ų | 63 | 108 Ų | 108 | 34% | 0.337 | 56% | 0.556 | S | S | . | * | trans | -84.5 | 142.2 | 169.7 | -149.6 | -29.2 | 0 | 0 | 0 | 112 | M1037 S1657 N1661 | M1037-N1659 VanDerWaalsContact C-CB 3.42Å; M1037-N1659 HydrophobicContact CB-CB 3.82Å; M1037-N1659 WeakPolarHBondContact O-CB 3.29Å; M1037-N1659 PolarHBondContact O-ND2 3.44Å; S1657-N1659 PolarHBondContact O-N 3.11Å; N1659-N1661 VanDerWaalsContact C-N 3.3Å; N1659-N1661 PolarHBondContact O-N 3.01Å | ||
| 1660 | N | 30.1 | Very low | 28.7 | Very low | 99 Ų | 99 | 104.3 Ų | 104.3 | 53% | 0.529 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -73.5 | 80 | 167.8 | -73 | -25.1 | 0 | 0 | 0 | 109.9 | M1037 | M1037-N1660 HydrophobicContact CE-CB 4.24Š|
| 1661 | N | 25.8 | Very low | 28.8 | Very low | 73 Ų | 73 | 100.2 Ų | 100.2 | 39% | 0.39 | 53% | 0.534 | S | S | . | . | trans | -152 | 51.8 | 163.1 | -156.5 | 41.4 | 0 | 0 | 0 | 114.7 | L1026 N1659 A1663 | L1026-N1661 WeakPolarHBondContact CD1-OD1 3.2Å; L1026-N1661 HydrophobicContact CD2-CB 3.71Å; L1026-N1661 VanDerWaalsContact CD2-CG 3.43Å; L1026-N1661 HydrophobicContact CG-CB 4.24Å; L1026-N1661 WeakPolarHBondContact CG-OD1 3.41Å; N1659-N1661 VanDerWaalsContact C-N 3.3Å; N1659-N1661 PolarHBondContact O-N 3.01Å; N1661-A1663 PolarHBondContact O-N 2.97Å | ||
| 1662 | D | 30.1 | Very low | 28.8 | Very low | 113 Ų | 113 | 96.9 Ų | 96.9 | 60% | 0.604 | 52% | 0.518 | S | S | * | . | trans | -70 | 75 | 160 | -81 | 9.2 | 0 | 0 | 0 | 108.6 | ||||
| 1663 | A | 27.3 | Very low | 28.8 | Very low | 59 Ų | 59 | 96.9 Ų | 96.9 | 49% | 0.488 | 51% | 0.512 | S | S | . | . | trans | -59.6 | 155.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | N1661 E1665 | N1661-A1663 PolarHBondContact O-N 2.97Å; A1663-E1665 PolarHBondContact O-N 3Å | ||
| 1664 | F | 27.2 | Very low | 28.7 | Very low | 115 Ų | 115 | 93.8 Ų | 93.8 | 50% | 0.504 | 50% | 0.495 | S | S | . | . | trans | -66.5 | 102.3 | 173.2 | -63.4 | -90.7 | 0 | 0 | 0 | 108.7 | R960 E1666 | R960-F1664 HydrophobicContact CB-CD1 4.45Å; F1664-E1666 PolarHBondContact O-N 2.84Å | ||
| 1665 | E | 29.9 | Very low | 28.7 | Very low | 61 Ų | 61 | 89.1 Ų | 89.1 | 29% | 0.285 | 47% | 0.47 | S | S | . | . | trans | -59.4 | 107.7 | 175.6 | -66.4 | -175.4 | 133.2 | 0 | 0 | 109.2 | F957 G959 L1043 A1663 V1667 | F957-E1665 WeakPolarHBondContact CB-OE2 3.36Å; G959-E1665 WeakPolarHBondContact CA-O 3.05Å; L1043-E1665 HydrophobicContact CD1-CG 4.24Å; A1663-E1665 PolarHBondContact O-N 3Å; E1665-V1667 PolarHBondContact O-N 2.88Å | ||
| 1666 | E | 28.8 | Very low | 28.7 | Very low | 99 Ų | 99 | 85.7 Ų | 85.7 | 46% | 0.463 | 45% | 0.453 | S | S | . | . | trans | -61.4 | 126.7 | 171.2 | -93.4 | 175.5 | 94.9 | 0 | 0 | 108.9 | L1095 F1664 Q1668 | L1095-E1666 VanDerWaalsContact CB-OE2 3.22Å; L1095-E1666 WeakPolarHBondContact CB-OE2 3.26Å; L1095-E1666 WeakPolarHBondContact CD1-OE2 3.34Å; F1664-E1666 PolarHBondContact O-N 2.84Å; E1666-Q1668 PolarHBondContact O-N 3.08Å | ||
| 1667 | V | 30.4 | Very low | 28.9 | Very low | 17 Ų | 17 | 80.6 Ų | 80.6 | 10% | 0.103 | 44% | 0.436 | C | S | . | . | trans | -55.1 | 132.3 | 162.4 | -177.8 | 0 | 0 | 0 | 0 | 106.7 | L950 E1665 L1669 | L950-V1667 HydrophobicContact CD2-CB 4.27Å; L950-V1667 HydrophobicContact CD2-CG1 3.75Å; E1665-V1667 PolarHBondContact O-N 2.88Å; V1667-L1669 WeakPolarHBondContact O-CD2 3.46Å; V1667-L1669 WeakPolarHBondContact O-CG 3.32Å; V1667-L1669 PolarHBondContact O-N 3.33Å | ||
| 1668 | Q | 27.8 | Very low | 29.1 | Very low | 140 Ų | 140 | 84.8 Ų | 84.8 | 65% | 0.654 | 46% | 0.456 | S | S | * | . | trans | -55.6 | 102.1 | -178.3 | -72.6 | -170.1 | -86.3 | 0 | 0 | 110.7 | E1666 | E1666-Q1668 PolarHBondContact O-N 3.08Š| ||
| 1669 | L | 29.8 | Very low | 28.7 | Very low | 71 Ų | 71 | 85.8 Ų | 85.8 | 37% | 0.372 | 46% | 0.455 | S | S | . | . | trans | -80.7 | 129.3 | 177.5 | -58.8 | -174.1 | 0 | 0 | 0 | 109.3 | M948 V1667 | M948-L1669 HydrophobicContact CB-CD2 4.26Å; M948-L1669 HydrophobicContact CE-CD1 4.3Å; M948-L1669 HydrophobicContact CG-CD2 4.19Å; M948-L1669 HydrophobicContact SD-CD1 4.28Å; M948-L1669 HydrophobicContact SD-CD2 3.6Å; V1667-L1669 WeakPolarHBondContact O-CD2 3.46Å; V1667-L1669 WeakPolarHBondContact O-CG 3.32Å; V1667-L1669 PolarHBondContact O-N 3.33Å | ||
| 1670 | V | 31.1 | Very low | 28.9 | Very low | 120 Ų | 120 | 87.9 Ų | 87.9 | 73% | 0.727 | 47% | 0.465 | S | S | * | . | trans | -134.7 | 0 | 167.2 | -168.4 | 0 | 0 | 0 | 0 | 107 | A949 | A949-V1670 PolarHBondContact N-O 2.63Š|
Retrieved 1,670 of 1,670 residues in 4090.1 ms
(Link to these results)