| 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 | 41.9 | Very low | 48.4 | Very low | 193 Ų | 193 | 96.5 Ų | 96.5 | 95% | 0.951 | 55% | 0.547 | S | S | * | . | 0 | -51.4 | 0 | -68.6 | -59.1 | -105.2 | 0 | 0 | 112.9 | V3 V4 V5 | M1-V3 PolarHBondContact O-N 2.91Å; M1-V4 PolarHBondContact O-N 3.13Å; M1-V5 WeakPolarHBondContact O-CG2 3.27Å; M1-V5 PolarHBondContact O-N 3.08Å | |||
| 2 | G | 46.2 | Very low | 47.7 | Very low | 53 Ų | 53 | 105.9 Ų | 105.9 | 55% | 0.546 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -57.1 | -41.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | V5 V6 | G2-V5 PolarHBondContact O-N 2.97Å; G2-V6 VanDerWaalsContact O-CG2 3.27Å; G2-V6 WeakPolarHBondContact O-CG2 3.24Å; G2-V6 PolarHBondContact O-N 2.87Å |
| 3 | V | 43.7 | Very low | 46.8 | Very low | 108 Ų | 108 | 105.1 Ų | 105.1 | 66% | 0.655 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69.6 | -34.3 | 178.3 | -177.7 | 0 | 0 | 0 | 0 | 112.3 | M1 V6 I7 | M1-V3 PolarHBondContact O-N 2.91Å; V3-V6 PolarHBondContact O-N 3.02Å; V3-I7 HydrophobicContact CG1-CD1 3.82Å; V3-I7 HydrophobicContact CG1-CG1 4.4Å; V3-I7 WeakPolarHBondContact O-CB 3.28Å; V3-I7 WeakPolarHBondContact O-CG1 3.4Å; V3-I7 PolarHBondContact O-N 2.89Å |
| 4 | V | 49 | Very low | 46.1 | Very low | 83 Ų | 83 | 105.9 Ų | 105.9 | 50% | 0.503 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -73.7 | -33.8 | 176.9 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | M1 L8 | M1-V4 PolarHBondContact O-N 3.13Å; V4-L8 HydrophobicContact CG1-CD1 3.83Å; V4-L8 HydrophobicContact CG1-CG 4.41Å; V4-L8 WeakPolarHBondContact O-CB 3.43Å; V4-L8 WeakPolarHBondContact O-CD1 3.16Å; V4-L8 VanDerWaalsContact O-CG 3.27Å; V4-L8 WeakPolarHBondContact O-CG 3.13Å; V4-L8 PolarHBondContact O-N 3.4Å |
| 5 | V | 54.9 | Low | 45 | Very low | 77 Ų | 77 | 105.4 Ų | 105.4 | 47% | 0.467 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -69.1 | -39.3 | 171.9 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | M1 G2 L8 L9 | M1-V5 WeakPolarHBondContact O-CG2 3.27Å; M1-V5 PolarHBondContact O-N 3.08Å; G2-V5 PolarHBondContact O-N 2.97Å; V5-L8 PolarHBondContact O-N 3.25Å; V5-L9 HydrophobicContact CG1-CD1 3.76Å; V5-L9 HydrophobicContact CG1-CG 4.32Å; V5-L9 WeakPolarHBondContact O-CB 3.15Å; V5-L9 WeakPolarHBondContact O-CD1 3.41Å; V5-L9 WeakPolarHBondContact O-CG 3.38Å; V5-L9 PolarHBondContact O-N 3.2Å |
| 6 | V | 53.8 | Low | 44.2 | Very low | 79 Ų | 79 | 106 Ų | 106 | 48% | 0.479 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.1 | -42 | 174 | 171.5 | 0 | 0 | 0 | 0 | 111 | G2 V3 L9 I10 | G2-V6 VanDerWaalsContact O-CG2 3.27Å; G2-V6 WeakPolarHBondContact O-CG2 3.24Å; G2-V6 PolarHBondContact O-N 2.87Å; V3-V6 PolarHBondContact O-N 3.02Å; V6-L9 PolarHBondContact O-N 2.85Å; V6-I10 HydrophobicContact CG1-CD1 3.6Å; V6-I10 HydrophobicContact CG1-CG1 4.34Å; V6-I10 WeakPolarHBondContact O-CB 3.39Å; V6-I10 WeakPolarHBondContact O-CD1 3.13Å; V6-I10 WeakPolarHBondContact O-CG1 3.18Å; V6-I10 PolarHBondContact O-N 2.79Å |
| 7 | I | 53.3 | Low | 43.8 | Very low | 86 Ų | 86 | 113.2 Ų | 113.2 | 44% | 0.441 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.9 | -38.4 | 174.8 | -69.3 | 168.7 | 0 | 0 | 0 | 111 | V3 I10 I11 | V3-I7 HydrophobicContact CG1-CD1 3.82Å; V3-I7 HydrophobicContact CG1-CG1 4.4Å; V3-I7 WeakPolarHBondContact O-CB 3.28Å; V3-I7 WeakPolarHBondContact O-CG1 3.4Å; V3-I7 PolarHBondContact O-N 2.89Å; I7-I10 PolarHBondContact O-N 3.2Å; I7-I11 HydrophobicContact CG2-CD1 3.45Å; I7-I11 VanDerWaalsContact CG2-CD1 3.45Å; I7-I11 HydrophobicContact CG2-CG1 4.15Å; I7-I11 VanDerWaalsContact O-CB 3.23Å; I7-I11 WeakPolarHBondContact O-CB 3.44Å; I7-I11 WeakPolarHBondContact O-CD1 3.4Å; I7-I11 WeakPolarHBondContact O-CG1 3.47Å; I7-I11 PolarHBondContact O-N 3.38Å |
| 8 | L | 48.4 | Very low | 43.9 | Very low | 96 Ų | 96 | 115.1 Ų | 115.1 | 50% | 0.503 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -70.5 | -29.2 | 173.9 | -80.4 | 163.7 | 0 | 0 | 0 | 112.6 | V4 V5 R12 | V4-L8 HydrophobicContact CG1-CD1 3.83Å; V4-L8 HydrophobicContact CG1-CG 4.41Å; V4-L8 WeakPolarHBondContact O-CB 3.43Å; V4-L8 WeakPolarHBondContact O-CD1 3.16Å; V4-L8 VanDerWaalsContact O-CG 3.27Å; V4-L8 WeakPolarHBondContact O-CG 3.13Å; V4-L8 PolarHBondContact O-N 3.4Å; V5-L8 PolarHBondContact O-N 3.25Å; L8-R12 WeakPolarHBondContact O-CB 3.08Å; L8-R12 WeakPolarHBondContact O-CG 3.5Å; L8-R12 PolarHBondContact O-N 3.27Å |
| 9 | L | 50.4 | Low | 44.3 | Very low | 105 Ų | 105 | 114.7 Ų | 114.7 | 55% | 0.55 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -75.5 | -35.7 | 172.3 | -76.3 | 166.6 | 0 | 0 | 0 | 111.4 | V5 V6 S13 | V5-L9 HydrophobicContact CG1-CD1 3.76Å; V5-L9 HydrophobicContact CG1-CG 4.32Å; V5-L9 WeakPolarHBondContact O-CB 3.15Å; V5-L9 WeakPolarHBondContact O-CD1 3.41Å; V5-L9 WeakPolarHBondContact O-CG 3.38Å; V5-L9 PolarHBondContact O-N 3.2Å; V6-L9 PolarHBondContact O-N 2.85Å; L9-S13 WeakPolarHBondContact O-CB 3.42Å; L9-S13 PolarHBondContact O-N 3.34Å; L9-S13 PolarHBondContact O-OG 3.34Å |
| 10 | I | 47.5 | Very low | 45.5 | Very low | 94 Ų | 94 | 109.5 Ų | 109.5 | 48% | 0.482 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -71.2 | -38.7 | 172.5 | -67.5 | 164.9 | 0 | 0 | 0 | 110.5 | V6 I7 S13 V14 | V6-I10 HydrophobicContact CG1-CD1 3.6Å; V6-I10 HydrophobicContact CG1-CG1 4.34Å; V6-I10 WeakPolarHBondContact O-CB 3.39Å; V6-I10 WeakPolarHBondContact O-CD1 3.13Å; V6-I10 WeakPolarHBondContact O-CG1 3.18Å; V6-I10 PolarHBondContact O-N 2.79Å; I7-I10 PolarHBondContact O-N 3.2Å; I10-S13 WeakPolarHBondContact CA-OG 3.41Å; I10-S13 PolarHBondContact O-N 2.75Å; I10-S13 PolarHBondContact O-OG 3.14Å; I10-V14 VanDerWaalsContact O-CB 3.31Å; I10-V14 WeakPolarHBondContact O-CB 3.36Å; I10-V14 WeakPolarHBondContact O-CG2 3.45Å; I10-V14 PolarHBondContact O-N 3.49Å; I10-V14 VanDerWaalsContact O-N 3.12Å |
| 11 | I | 43.4 | Very low | 47.1 | Very low | 87 Ų | 87 | 105.8 Ų | 105.8 | 45% | 0.446 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -73.3 | -37 | 175 | -66.8 | 168.5 | 0 | 0 | 0 | 110.1 | I7 S13 V14 V15 | I7-I11 HydrophobicContact CG2-CD1 3.45Å; I7-I11 VanDerWaalsContact CG2-CD1 3.45Å; I7-I11 HydrophobicContact CG2-CG1 4.15Å; I7-I11 VanDerWaalsContact O-CB 3.23Å; I7-I11 WeakPolarHBondContact O-CB 3.44Å; I7-I11 WeakPolarHBondContact O-CD1 3.4Å; I7-I11 WeakPolarHBondContact O-CG1 3.47Å; I7-I11 PolarHBondContact O-N 3.38Å; I11-S13 VanDerWaalsContact C-N 3.32Å; I11-S13 PolarHBondContact O-N 3.29Å; I11-V14 PolarHBondContact O-N 3.19Å; I11-V15 HydrophobicContact CG2-CG2 3.93Å; I11-V15 WeakPolarHBondContact O-CB 3.37Å; I11-V15 WeakPolarHBondContact O-CG2 3.45Å; I11-V15 PolarHBondContact O-N 3.07Å |
| 12 | R | 40.1 | Very low | 49.2 | Very low | 210 Ų | 210 | 100.5 Ų | 100.5 | 79% | 0.792 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.9 | -26.8 | 172 | -87.3 | -176.4 | 163.5 | 173.6 | -3.1 | 113.6 | L8 | L8-R12 WeakPolarHBondContact O-CB 3.08Å; L8-R12 WeakPolarHBondContact O-CG 3.5Å; L8-R12 PolarHBondContact O-N 3.27Å |
| 13 | S | 36.3 | Very low | 51.3 | Low | 95 Ų | 95 | 99 Ų | 99 | 66% | 0.664 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -83.8 | -11.8 | 172.2 | 55.2 | 0 | 0 | 0 | 0 | 113.5 | L9 I10 I11 | L9-S13 WeakPolarHBondContact O-CB 3.42Å; L9-S13 PolarHBondContact O-N 3.34Å; L9-S13 PolarHBondContact O-OG 3.34Å; I10-S13 WeakPolarHBondContact CA-OG 3.41Å; I10-S13 PolarHBondContact O-N 2.75Å; I10-S13 PolarHBondContact O-OG 3.14Å; I11-S13 VanDerWaalsContact C-N 3.32Å; I11-S13 PolarHBondContact O-N 3.29Å |
| 14 | V | 35.9 | Very low | 53.5 | Low | 116 Ų | 116 | 99.7 Ų | 99.7 | 70% | 0.703 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -104 | -11 | 179.4 | 172.4 | 0 | 0 | 0 | 0 | 113.3 | I10 I11 C16 | I10-V14 VanDerWaalsContact O-CB 3.31Å; I10-V14 WeakPolarHBondContact O-CB 3.36Å; I10-V14 WeakPolarHBondContact O-CG2 3.45Å; I10-V14 PolarHBondContact O-N 3.49Å; I10-V14 VanDerWaalsContact O-N 3.12Å; I11-V14 PolarHBondContact O-N 3.19Å; V14-C16 PolarHBondContact O-N 3.19Å |
| 15 | V | 30.2 | Very low | 55.5 | Low | 99 Ų | 99 | 96.6 Ų | 96.6 | 60% | 0.6 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -92.1 | 104.7 | -177.7 | 172.5 | 0 | 0 | 0 | 0 | 112.3 | I11 | I11-V15 HydrophobicContact CG2-CG2 3.93Å; I11-V15 WeakPolarHBondContact O-CB 3.37Å; I11-V15 WeakPolarHBondContact O-CG2 3.45Å; I11-V15 PolarHBondContact O-N 3.07Å |
| 16 | C | 31.9 | Very low | 57.1 | Low | 115 Ų | 115 | 96.7 Ų | 96.7 | 78% | 0.777 | 51% | 0.508 | S | S | * | . | trans | 67.3 | 67 | 156.6 | -68 | 0 | 0 | 0 | 0 | 119.4 | V14 Q18 | V14-C16 PolarHBondContact O-N 3.19Å; C16-Q18 PolarHBondContact O-N 3.04Å | ||
| 17 | R | 38.1 | Very low | 58.5 | Low | 228 Ų | 228 | 93.6 Ų | 93.6 | 86% | 0.86 | 49% | 0.489 | S | S | * | . | trans | -78 | 106.7 | 141.1 | -85.5 | -179.4 | 172.7 | -176.8 | -4.5 | 107 | ||||
| 18 | Q | 45.1 | Very low | 59.7 | Low | 147 Ų | 147 | 98.9 Ų | 98.9 | 69% | 0.687 | 51% | 0.509 | S | S | * | . | trans | -49.8 | 132.2 | 171.9 | -87 | -178.5 | -37.7 | 0 | 0 | 108.9 | C16 S20 | C16-Q18 PolarHBondContact O-N 3.04Å; Q18-S20 PolarHBondContact O-N 2.05Å | ||
| 19 | P | 52.4 | Low | 60.8 | Low | 108 Ų | 108 | 101.9 Ų | 101.9 | 70% | 0.701 | 52% | 0.52 | S | S | * | . | trans | -62.2 | 117.2 | 175.7 | 25 | -30.2 | 0 | 0 | 0 | 107.5 | V21 | P19-V21 PolarHBondContact O-N 3.01Š| ||
| 20 | S | 68 | Low | 61.7 | Low | 10 Ų | 10 | 99.5 Ų | 99.5 | 7% | 0.07 | 51% | 0.506 | C | S | . | . | S | Bend | trans | -64 | -16.7 | 172.7 | 53.5 | 0 | 0 | 0 | 0 | 111.9 | Q18 V22 Q443 V477 K478 | Q18-S20 PolarHBondContact O-N 2.05Å; S20-V22 PolarHBondContact O-N 2.87Å; S20-Q443 VanDerWaalsContact CB-NE2 3.26Å; S20-Q443 VanDerWaalsContact CB-OE1 3.27Å; S20-Q443 PolarHBondContact OG-NE2 3.3Å; S20-Q443 PolarHBondContact OG-OE1 3.48Å; S20-V477 CarbonylContact O-C 3.51Å; S20-V477 WeakPolarHBondContact O-CA 3.29Å; S20-K478 PolarHBondContact O-N 2.86Å |
| 21 | V | 78.8 | Confident | 62.4 | Low | 32 Ų | 32 | 99.9 Ų | 99.9 | 19% | 0.194 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 110.8 | 173.2 | -174.2 | 0 | 0 | 0 | 0 | 109.9 | P19 Q24 I445 L475 K476 V477 | P19-V21 PolarHBondContact O-N 3.01Å; V21-Q24 HydrophobicContact CG1-CB 4.43Å; V21-I445 HydrophobicContact CG2-CG2 4.1Å; V21-L475 HydrophobicContact CG1-CB 4.43Å; V21-L475 HydrophobicContact CG1-CD2 4.09Å; V21-K476 CarbonylContact C-O 3.45Å; V21-K476 WeakPolarHBondContact CA-O 3.24Å; V21-V477 HydrophobicContact CG2-CG2 4.27Å |
| 22 | V | 85.5 | Confident | 63.9 | Low | 82 Ų | 82 | 105.5 Ų | 105.5 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -39.5 | 179.1 | 179.3 | 0 | 0 | 0 | 0 | 111.5 | S20 K476 K478 | S20-V22 PolarHBondContact O-N 2.87Å; V22-K476 PolarHBondContact N-O 3.08Å; V22-K478 HydrophobicContact CG2-CB 4.18Å |
| 23 | S | 89.8 | Confident | 65.9 | Low | 23 Ų | 23 | 95.7 Ų | 95.7 | 16% | 0.161 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 155 | 177.1 | 61.6 | 0 | 0 | 0 | 0 | 110.7 | N61 K476 | S23-N61 WeakPolarHBondContact CB-O 3.28Å; S23-N61 PolarHBondContact OG-O 2.86Å; S23-K476 PolarHBondContact O-N 3.11Å; S23-K476 WeakPolarHBondContact OG-CB 3.2Å |
| 24 | Q | 89.7 | Confident | 68.4 | Low | 122 Ų | 122 | 92.4 Ų | 92.4 | 57% | 0.57 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 146.8 | 178.3 | 64.4 | -179.6 | 50.2 | 0 | 0 | 111.2 | V21 V474 L475 | V21-Q24 HydrophobicContact CG1-CB 4.43Å; Q24-V474 CarbonylContact C-O 3.59Å; Q24-V474 WeakPolarHBondContact CA-O 2.94Å; Q24-L475 HydrophobicContact CB-CD2 3.48Å; Q24-L475 VanDerWaalsContact CB-CD2 3.48Å |
| 25 | F | 91.9 | Very high | 71.1 | Confident | 17 Ų | 17 | 87 Ų | 87 | 8% | 0.075 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 122.6 | 171.2 | 173.7 | -103.5 | 0 | 0 | 0 | 110.1 | D27 Y56 L58 L62 L64 E473 V474 | F25-D27 HydrophobicContact CZ-CB 4.39Å; F25-Y56 HydrophobicContact CE1-CD1 4.13Å; F25-Y56 AromaticContact CE1-CD2 3.99Å; F25-Y56 HydrophobicContact CE1-CD2 3.99Å; F25-Y56 HydrophobicContact CE1-CE1 4.26Å; F25-Y56 HydrophobicContact CE1-CE2 4.13Å; F25-Y56 AromaticContact CE1-CG 3.98Å; F25-Y56 HydrophobicContact CE1-CG 3.98Å; F25-Y56 AromaticContact CZ-CD1 3.76Å; F25-Y56 HydrophobicContact CZ-CD1 3.76Å; F25-Y56 HydrophobicContact CZ-CD2 4.45Å; F25-Y56 AromaticContact CZ-CE1 3.88Å; F25-Y56 HydrophobicContact CZ-CE1 3.88Å; F25-Y56 HydrophobicContact CZ-CG 4.05Å; F25-L58 HydrophobicContact CB-CD1 4.11Å; F25-L58 HydrophobicContact CD1-CD1 3.79Å; F25-L58 HydrophobicContact CD1-CD2 4.12Å; F25-L58 HydrophobicContact CD2-CD2 3.84Å; F25-L58 HydrophobicContact CE1-CD1 4.37Å; F25-L58 HydrophobicContact CE1-CD2 4.1Å; F25-L58 HydrophobicContact CE2-CD2 3.84Å; F25-L58 HydrophobicContact CG-CD1 3.87Å; F25-L58 HydrophobicContact CG-CD2 4Å; F25-L58 HydrophobicContact CZ-CD2 3.96Å; F25-L62 HydrophobicContact CB-CB 4.01Å; F25-L64 HydrophobicContact CE2-CB 3.94Å; F25-L64 HydrophobicContact CE2-CD1 4.16Å; F25-L64 HydrophobicContact CE2-CD2 4.43Å; F25-L64 HydrophobicContact CE2-CG 4.41Å; F25-L64 HydrophobicContact CZ-CD1 4.16Å; F25-E473 CarbonylContact O-C 3.59Å; F25-E473 VanDerWaalsContact O-CA 3.23Å; F25-E473 WeakPolarHBondContact O-CA 3.04Å; F25-E473 VanDerWaalsContact O-CB 3.31Å; F25-E473 WeakPolarHBondContact O-CB 3.23Å; F25-V474 HydrophobicContact CB-CB 4.44Å; F25-V474 PolarHBondContact N-O 2.74Å; F25-V474 PolarHBondContact O-N 3.26Å |
| 26 | L | 87.7 | Confident | 74.1 | Confident | 80 Ų | 80 | 85.7 Ų | 85.7 | 42% | 0.419 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 123.6 | 174.9 | 178.5 | 73.8 | 0 | 0 | 0 | 107.1 | K28 D472 E473 | L26-K28 PolarHBondContact O-N 3.03Å; L26-D472 HydrophobicContact CD1-CB 4.37Å; L26-D472 WeakPolarHBondContact CD1-O 3.38Å; L26-E473 HydrophobicContact CB-CB 4.48Å; L26-E473 HydrophobicContact CD1-CB 4.11Å |
| 27 | D | 84 | Confident | 77 | Confident | 13 Ų | 13 | 82.5 Ų | 82.5 | 7% | 0.07 | 40% | 0.398 | C | S | . | . | trans | -72.3 | 118.3 | 175.9 | -169.8 | -0.9 | 0 | 0 | 0 | 109.7 | F25 H29 Y56 R67 | F25-D27 HydrophobicContact CZ-CB 4.39Å; D27-H29 VanDerWaalsContact C-N 3.3Å; D27-H29 WeakPolarHBondContact OD1-CB 3.5Å; D27-H29 IonicContact OD1-CD2 3.88Å; D27-H29 IonicContact OD1-CG 3.69Å; D27-H29 PolarHBondContact OD1-N 3.37Å; D27-Y56 HydrophobicContact CB-CE1 4.28Å; D27-Y56 VanDerWaalsContact CB-OH 3.32Å; D27-Y56 WeakPolarHBondContact CB-OH 3.25Å; D27-Y56 PolarHBondContact OD2-OH 3.46Å; D27-R67 IonicContact OD2-CZ 3.84Å; D27-R67 IonicContact OD2-NE 2.93Å; D27-R67 PolarHBondContact OD2-NE 3.12Å; D27-R67 IonicContact OD2-NH2 3.82Å; D27-R67 PolarHBondContact OD2-NH2 3.11Å | ||
| 28 | K | 78.3 | Confident | 79.8 | Confident | 198 Ų | 198 | 71.7 Ų | 71.7 | 86% | 0.861 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -77.4 | -16.8 | 177.5 | -64.8 | -177.5 | -179.9 | 179.2 | 0 | 112.9 | L26 | L26-K28 PolarHBondContact O-N 3.03Š|
| 29 | H | 71.9 | Confident | 82.1 | Confident | 158 Ų | 158 | 66 Ų | 66 | 73% | 0.731 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -91.9 | -29.2 | -174.7 | -64.5 | -72.9 | 0 | 0 | 0 | 113.5 | D27 | D27-H29 VanDerWaalsContact C-N 3.3Å; D27-H29 WeakPolarHBondContact OD1-CB 3.5Å; D27-H29 IonicContact OD1-CD2 3.88Å; D27-H29 IonicContact OD1-CG 3.69Å; D27-H29 PolarHBondContact OD1-N 3.37Å |
| 30 | E | 68.9 | Low | 84.1 | Confident | 55 Ų | 55 | 64.4 Ų | 64.4 | 26% | 0.257 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -108.8 | 108.1 | -176.8 | -160.9 | 68.1 | -136.8 | 0 | 0 | 110.1 | R32 P33 R67 | E30-R32 VanDerWaalsContact C-N 3.34Å; E30-R32 PolarHBondContact O-N 3.43Å; E30-P33 HydrophobicContact CB-CB 4.47Å; E30-P33 HydrophobicContact CG-CB 4.33Å; E30-R67 IonicContact OE2-NH2 3.31Å; E30-R67 PolarHBondContact OE2-NH2 2.83Å |
| 31 | S | 61.7 | Low | 85.3 | Confident | 103 Ų | 103 | 64.2 Ų | 64.2 | 72% | 0.72 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -71.1 | 91.4 | 175 | 59.6 | 0 | 0 | 0 | 0 | 109.3 | ||
| 32 | R | 76.1 | Confident | 85.7 | Confident | 205 Ų | 205 | 67.1 Ų | 67.1 | 77% | 0.774 | 33% | 0.332 | S | S | * | . | trans | 82.5 | 81.1 | -178.2 | -51.3 | 175.3 | -178.2 | -173.8 | -0.6 | 113.9 | E30 S34 R52 | E30-R32 VanDerWaalsContact C-N 3.34Å; E30-R32 PolarHBondContact O-N 3.43Å; R32-S34 PolarHBondContact O-N 3.28Å; R32-R52 PolarHBondContact O-NH2 3.43Å | ||
| 33 | P | 82.7 | Confident | 85.8 | Confident | 4 Ų | 4 | 66.7 Ų | 66.7 | 3% | 0.026 | 34% | 0.337 | C | S | . | . | trans | -70.8 | -12.7 | 177.1 | 30 | -35.4 | 0 | 0 | 0 | 113.7 | E30 L35 R52 V54 | E30-P33 HydrophobicContact CB-CB 4.47Å; E30-P33 HydrophobicContact CG-CB 4.33Å; P33-L35 HydrophobicContact CB-CD2 3.89Å; P33-L35 HydrophobicContact CG-CD2 3.86Å; P33-L35 HydrophobicContact CG-CG 4.1Å; P33-L35 PolarHBondContact O-N 3.42Å; P33-R52 WeakPolarHBondContact O-CA 3.45Å; P33-R52 WeakPolarHBondContact O-CB 3.47Å; P33-R52 PolarHBondContact O-N 3.38Å; P33-V54 HydrophobicContact CB-CG1 4.16Å | ||
| 34 | S | 88.8 | Confident | 85.8 | Confident | 26 Ų | 26 | 68.6 Ų | 68.6 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | trans | 46.6 | 64.1 | -176.7 | -169.3 | 0 | 0 | 0 | 0 | 111.2 | R32 R36 G51 R52 D471 | R32-S34 PolarHBondContact O-N 3.28Å; S34-R36 PolarHBondContact O-N 3.48Å; S34-G51 WeakPolarHBondContact O-CA 3.22Å; S34-R52 PolarHBondContact O-N 3.14Å; S34-D471 CarbonylContact C-O 3.54Å; S34-D471 WeakPolarHBondContact CA-O 3.43Å; S34-D471 PolarHBondContact N-O 3.44Å | ||
| 35 | L | 92.6 | Very high | 85.8 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | trans | -59.5 | 136.3 | -179.7 | -52.7 | 178.1 | 0 | 0 | 0 | 110 | P33 V49 Y56 M469 D471 V474 | P33-L35 HydrophobicContact CB-CD2 3.89Å; P33-L35 HydrophobicContact CG-CD2 3.86Å; P33-L35 HydrophobicContact CG-CG 4.1Å; P33-L35 PolarHBondContact O-N 3.42Å; L35-V49 HydrophobicContact CD1-CG1 4.23Å; L35-V49 HydrophobicContact CD2-CG1 4.09Å; L35-Y56 HydrophobicContact CD2-CD2 4.46Å; L35-Y56 HydrophobicContact CD2-CE2 3.88Å; L35-M469 HydrophobicContact CB-CG 4Å; L35-M469 HydrophobicContact CB-SD 3.75Å; L35-M469 HydrophobicContact CD1-CG 4.21Å; L35-D471 PolarHBondContact N-O 3.44Å; L35-V474 HydrophobicContact CD1-CG2 3.89Å | ||
| 36 | R | 91.4 | Very high | 86 | Confident | 72 Ų | 72 | 64 Ų | 64 | 27% | 0.272 | 33% | 0.327 | S | S | . | . | trans | -117.8 | -48.3 | -173.7 | -66.5 | -60 | -173.3 | 130.5 | 6.6 | 112.3 | S34 A50 N99 P149 M469 | S34-R36 PolarHBondContact O-N 3.48Å; R36-A50 PolarHBondContact N-O 3.06Å; R36-N99 WeakPolarHBondContact CB-O 3.49Å; R36-P149 PolarHBondContact NH1-O 2.9Å; R36-P149 PolarHBondContact NH2-O 3.39Å; R36-P149 VanDerWaalsContact NH2-O 3.11Å; R36-M469 VanDerWaalsContact C-CE 3.48Å; R36-M469 WeakPolarHBondContact O-CE 2.99Å | ||
| 37 | H | 94.4 | Very high | 86.3 | Confident | 48 Ų | 48 | 60.2 Ų | 60.2 | 22% | 0.222 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 147.5 | -173.6 | -66.8 | -68.6 | 0 | 0 | 0 | 113.8 | V49 A50 N99 Q100 L102 D456 | H37-V49 WeakPolarHBondContact O-CA 3.4Å; H37-A50 PolarHBondContact N-O 3.08Å; H37-A50 VanDerWaalsContact N-O 3.17Å; H37-A50 PolarHBondContact O-N 2.77Å; H37-N99 PolarHBondContact CD2-OD1 3.4Å; H37-N99 VanDerWaalsContact CD2-OD1 3.29Å; H37-Q100 PolarHBondContact NE2-O 2.83Å; H37-L102 HydrophobicContact CB-CB 3.66Å; H37-L102 HydrophobicContact CB-CD2 4.05Å; H37-D456 WeakPolarHBondContact CA-OD2 3.37Å; H37-D456 IonicContact CG-OD2 2.64Å; H37-D456 IonicContact ND1-OD2 3.97Å; H37-D456 PolarHBondContact ND1-OD2 3.19Å |
| 38 | M | 95.4 | Very high | 86.9 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 132.7 | 176.5 | 177.1 | 172.5 | 63.1 | 0 | 0 | 110.8 | L47 Y48 V49 D456 L458 M469 V474 | M38-L47 HydrophobicContact CG-CD2 4.01Å; M38-L47 HydrophobicContact SD-CD2 4.02Å; M38-Y48 WeakPolarHBondContact CA-O 3.49Å; M38-V49 HydrophobicContact CB-CG2 4.41Å; M38-V49 HydrophobicContact CG-CG2 4.01Å; M38-V49 HydrophobicContact SD-CG2 4.3Å; M38-D456 HydrophobicContact CB-CB 4.28Å; M38-D456 VanDerWaalsContact CE-O 3.26Å; M38-D456 WeakPolarHBondContact CE-O 3.3Å; M38-D456 PolarHBondContact N-OD2 2.79Å; M38-L458 HydrophobicContact CE-CD1 4.24Å; M38-L458 HydrophobicContact CE-CG 4.26Å; M38-L458 HydrophobicContact CG-CD1 3.94Å; M38-M469 HydrophobicContact CB-CE 4.44Å; M38-M469 HydrophobicContact CB-SD 4.03Å; M38-M469 HydrophobicContact CE-CB 4.33Å; M38-V474 HydrophobicContact SD-CG1 3.69Å |
| 39 | V | 95 | Very high | 87.7 | Confident | 26 Ų | 26 | 50.2 Ų | 50.2 | 16% | 0.158 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 147.1 | 176 | -64.1 | 0 | 0 | 0 | 0 | 111.4 | L47 Y48 L102 I104 L111 | V39-L47 WeakPolarHBondContact O-CA 3.46Å; V39-Y48 PolarHBondContact N-O 2.85Å; V39-Y48 PolarHBondContact O-N 2.77Å; V39-L102 HydrophobicContact CG1-CG 4.43Å; V39-L102 VanDerWaalsContact CG1-O 3.25Å; V39-L102 WeakPolarHBondContact CG1-O 3.05Å; V39-L102 HydrophobicContact CG2-CD2 3.93Å; V39-L102 HydrophobicContact CG2-CG 3.88Å; V39-I104 HydrophobicContact CB-CD1 4.4Å; V39-I104 HydrophobicContact CB-CG1 4.46Å; V39-I104 HydrophobicContact CG2-CD1 3.99Å; V39-I104 HydrophobicContact CG2-CG1 3.86Å; V39-L111 HydrophobicContact CG2-CD1 4.04Å |
| 40 | R | 94.6 | Very high | 88.8 | Confident | 75 Ų | 75 | 42.8 Ų | 42.8 | 28% | 0.283 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 130.5 | -180 | -172.3 | -167.6 | 72.5 | 172.8 | 9.8 | 110.9 | S42 H46 L47 L458 F459 D460 | R40-S42 PolarHBondContact O-N 3.45Å; R40-H46 WeakPolarHBondContact CA-O 3.41Å; R40-L47 HydrophobicContact CB-CD2 3.82Å; R40-L47 HydrophobicContact CG-CD2 4.14Å; R40-L458 HydrophobicContact CB-CD1 3.97Å; R40-F459 PolarHBondContact NH1-O 3Å; R40-D460 PolarHBondContact NH1-O 2.84Å |
| 41 | D | 92.5 | Very high | 90 | Very high | 7 Ų | 7 | 40.2 Ų | 40.2 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | trans | -74 | 114.8 | 166.8 | 176.4 | 12.6 | 0 | 0 | 0 | 109.3 | A43 T44 G45 H46 Y48 I104 R109 | D41-A43 PolarHBondContact O-N 2.79Å; D41-A43 WeakPolarHBondContact OD1-CB 3.44Å; D41-A43 PolarHBondContact OD1-N 2.95Å; D41-T44 WeakPolarHBondContact CB-OG1 3.38Å; D41-T44 VanDerWaalsContact CG-OG1 3.31Å; D41-T44 PolarHBondContact O-N 2.9Å; D41-T44 WeakPolarHBondContact OD2-CG2 3.48Å; D41-T44 PolarHBondContact OD2-OG1 3.27Å; D41-G45 WeakPolarHBondContact O-CA 3.4Å; D41-G45 PolarHBondContact O-N 2.81Å; D41-H46 PolarHBondContact N-O 3.15Å; D41-Y48 HydrophobicContact CB-CE2 4.12Å; D41-I104 HydrophobicContact CB-CD1 4.06Å; D41-R109 IonicContact OD1-NH1 2.6Å; D41-R109 IonicContact OD2-CZ 3.52Å; D41-R109 IonicContact OD2-NH1 3.71Å; D41-R109 IonicContact OD2-NH2 2.67Å; D41-R109 PolarHBondContact OD2-NH2 2.84Å | ||
| 42 | S | 87.6 | Confident | 91.5 | Very high | 93 Ų | 93 | 37.5 Ų | 37.5 | 65% | 0.65 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -23.5 | 179.9 | 55.7 | 0 | 0 | 0 | 0 | 113.6 | R40 | R40-S42 PolarHBondContact O-N 3.45Š|
| 43 | A | 86.9 | Confident | 92.3 | Very high | 72 Ų | 72 | 28.2 Ų | 28.2 | 60% | 0.595 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -37.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | D41 | D41-A43 PolarHBondContact O-N 2.79Å; D41-A43 WeakPolarHBondContact OD1-CB 3.44Å; D41-A43 PolarHBondContact OD1-N 2.95Å |
| 44 | T | 89.9 | Confident | 92.8 | Very high | 63 Ų | 63 | 28 Ų | 28 | 39% | 0.387 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -18.2 | -173.4 | 59.3 | 0 | 0 | 0 | 0 | 113.8 | D41 H46 | D41-T44 WeakPolarHBondContact CB-OG1 3.38Å; D41-T44 VanDerWaalsContact CG-OG1 3.31Å; D41-T44 PolarHBondContact O-N 2.9Å; D41-T44 WeakPolarHBondContact OD2-CG2 3.48Å; D41-T44 PolarHBondContact OD2-OG1 3.27Å; T44-H46 PolarHBondContact O-N 2.94Å; T44-H46 WeakPolarHBondContact OG1-CB 3.12Å; T44-H46 PolarHBondContact OG1-N 2.72Å; T44-H46 PolarHBondContact OG1-ND1 2.72Å |
| 45 | G | 90.7 | Very high | 93.1 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | trans | 72.4 | 2.8 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D41 | D41-G45 WeakPolarHBondContact O-CA 3.4Å; D41-G45 PolarHBondContact O-N 2.81Å | ||
| 46 | H | 94.2 | Very high | 93.2 | Very high | 42 Ų | 42 | 26.9 Ų | 26.9 | 19% | 0.194 | 15% | 0.147 | C | C | . | . | trans | -66.9 | 146.6 | 174.6 | -65.3 | 152.8 | 0 | 0 | 0 | 111.3 | R40 D41 T44 Y48 L58 | R40-H46 WeakPolarHBondContact CA-O 3.41Å; D41-H46 PolarHBondContact N-O 3.15Å; T44-H46 PolarHBondContact O-N 2.94Å; T44-H46 WeakPolarHBondContact OG1-CB 3.12Å; T44-H46 PolarHBondContact OG1-N 2.72Å; T44-H46 PolarHBondContact OG1-ND1 2.72Å; H46-Y48 HydrophobicContact CB-CE2 4.37Å; H46-L58 WeakPolarHBondContact CA-O 3.41Å; H46-L58 WeakPolarHBondContact CB-O 3.06Å | ||
| 47 | L | 95.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 138.2 | 178.4 | -71.4 | 158.5 | 0 | 0 | 0 | 110.2 | M38 V39 R40 R57 L58 L62 L458 Y467 | M38-L47 HydrophobicContact CG-CD2 4.01Å; M38-L47 HydrophobicContact SD-CD2 4.02Å; V39-L47 WeakPolarHBondContact O-CA 3.46Å; R40-L47 HydrophobicContact CB-CD2 3.82Å; R40-L47 HydrophobicContact CG-CD2 4.14Å; L47-R57 CarbonylContact O-C 3.58Å; L47-R57 WeakPolarHBondContact O-CA 3.46Å; L47-L58 HydrophobicContact CB-CB 4.24Å; L47-L58 PolarHBondContact N-O 2.9Å; L47-L58 PolarHBondContact O-N 3.24Å; L47-L62 HydrophobicContact CD1-CD2 3.44Å; L47-L62 VanDerWaalsContact CD1-CD2 3.44Å; L47-L458 HydrophobicContact CD2-CD1 4.12Å; L47-Y467 HydrophobicContact CD1-CD1 3.57Å; L47-Y467 HydrophobicContact CD1-CD2 3.99Å; L47-Y467 HydrophobicContact CD1-CE1 3.5Å; L47-Y467 HydrophobicContact CD1-CE2 3.94Å; L47-Y467 HydrophobicContact CD1-CG 3.8Å; L47-Y467 HydrophobicContact CD2-CD2 4.1Å; L47-Y467 HydrophobicContact CD2-CE2 4.38Å; L47-Y467 HydrophobicContact CD2-CG 4.39Å; L47-Y467 HydrophobicContact CG-CE2 4.49Å |
| 48 | Y | 96.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 0% | 0.004 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 125.2 | 171.9 | -58.6 | -93.8 | 0 | 0 | 0 | 107.6 | M38 V39 D41 H46 Y56 R57 L102 I104 L111 L127 L130 | M38-Y48 WeakPolarHBondContact CA-O 3.49Å; V39-Y48 PolarHBondContact N-O 2.85Å; V39-Y48 PolarHBondContact O-N 2.77Å; D41-Y48 HydrophobicContact CB-CE2 4.12Å; H46-Y48 HydrophobicContact CB-CE2 4.37Å; Y48-Y56 VanDerWaalsContact CA-O 3.31Å; Y48-Y56 WeakPolarHBondContact CA-O 3.43Å; Y48-R57 HydrophobicContact CD1-CB 4.2Å; Y48-R57 HydrophobicContact CD1-CG 4.17Å; Y48-R57 HydrophobicContact CE1-CB 4.13Å; Y48-R57 HydrophobicContact CE1-CG 3.71Å; Y48-L102 WeakPolarHBondContact O-CD2 3.36Å; Y48-I104 HydrophobicContact CD2-CD1 3.97Å; Y48-I104 HydrophobicContact CE2-CD1 4.18Å; Y48-L111 HydrophobicContact CD1-CD1 4.48Å; Y48-L111 HydrophobicContact CD1-CD2 3.83Å; Y48-L111 HydrophobicContact CG-CD1 4.14Å; Y48-L111 HydrophobicContact CG-CD2 4.21Å; Y48-L127 HydrophobicContact CD2-CD2 4.31Å; Y48-L127 HydrophobicContact CE1-CD2 4Å; Y48-L127 HydrophobicContact CE2-CD2 3.65Å; Y48-L127 VanDerWaalsContact CZ-CD2 3.46Å; Y48-L127 WeakPolarHBondContact OH-CB 3.29Å; Y48-L127 PolarHBondContact OH-O 3.16Å; Y48-L130 HydrophobicContact CD1-CD1 4.11Å; Y48-L130 HydrophobicContact CD1-CD2 3.99Å; Y48-L130 HydrophobicContact CD1-CG 4.48Å; Y48-L130 HydrophobicContact CE1-CD1 4.32Å; Y48-L130 HydrophobicContact CE1-CD2 3.79Å; Y48-L130 HydrophobicContact CE1-CG 4.27Å |
| 49 | V | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 127.9 | -172.4 | -173.8 | 0 | 0 | 0 | 0 | 108.6 | L35 H37 M38 L55 Y56 L58 M469 V474 | L35-V49 HydrophobicContact CD1-CG1 4.23Å; L35-V49 HydrophobicContact CD2-CG1 4.09Å; H37-V49 WeakPolarHBondContact O-CA 3.4Å; M38-V49 HydrophobicContact CB-CG2 4.41Å; M38-V49 HydrophobicContact CG-CG2 4.01Å; M38-V49 HydrophobicContact SD-CG2 4.3Å; V49-L55 CarbonylContact O-C 3.55Å; V49-Y56 HydrophobicContact CB-CD2 4.27Å; V49-Y56 HydrophobicContact CG1-CD2 4.48Å; V49-Y56 PolarHBondContact N-O 2.9Å; V49-Y56 WeakPolarHBondContact O-CD2 3.39Å; V49-Y56 PolarHBondContact O-N 3.3Å; V49-L58 HydrophobicContact CG2-CD1 3.86Å; V49-L58 HydrophobicContact CG2-CG 4.45Å; V49-M469 HydrophobicContact CG1-SD 4.19Å; V49-V474 HydrophobicContact CG1-CG2 4Å; V49-V474 HydrophobicContact CG2-CG2 4.18Å |
| 50 | A | 94.7 | Very high | 93.3 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 2% | 0.017 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 145.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R36 H37 L55 N99 L102 | R36-A50 PolarHBondContact N-O 3.06Å; H37-A50 PolarHBondContact N-O 3.08Å; H37-A50 VanDerWaalsContact N-O 3.17Å; H37-A50 PolarHBondContact O-N 2.77Å; A50-L55 HydrophobicContact CB-CD1 3.81Å; A50-N99 HydrophobicContact CB-CB 3.64Å; A50-N99 WeakPolarHBondContact CB-OD1 3.44Å; A50-L102 HydrophobicContact CB-CD1 4.05Å; A50-L102 HydrophobicContact CB-CD2 3.91Å; A50-L102 HydrophobicContact CB-CG 4.48Å |
| 51 | G | 93.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -146.6 | -150 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S34 N53 V54 N99 | S34-G51 WeakPolarHBondContact O-CA 3.22Å; G51-N53 PolarHBondContact O-N 2.03Å; G51-V54 PolarHBondContact N-O 3.43Å; G51-N99 PolarHBondContact O-N 3.38Å | ||
| 52 | R | 93.7 | Very high | 93.2 | Very high | 47 Ų | 47 | 24.5 Ų | 24.5 | 18% | 0.177 | 15% | 0.149 | C | C | . | . | B | Isolated β-bridge | trans | -68.7 | 121 | 170.6 | -174.7 | 179.3 | 67.3 | 148.3 | -4.3 | 110 | R32 P33 S34 V54 D96 N97 Y98 | R32-R52 PolarHBondContact O-NH2 3.43Å; P33-R52 WeakPolarHBondContact O-CA 3.45Å; P33-R52 WeakPolarHBondContact O-CB 3.47Å; P33-R52 PolarHBondContact O-N 3.38Å; S34-R52 PolarHBondContact O-N 3.14Å; R52-V54 WeakPolarHBondContact O-CG1 3.45Å; R52-V54 PolarHBondContact O-N 2.79Å; R52-D96 WeakPolarHBondContact CD-OD2 3.31Å; R52-D96 HydrophobicContact CG-CB 4.04Å; R52-D96 IonicContact CZ-OD2 3.89Å; R52-D96 IonicContact NH1-OD2 3.15Å; R52-D96 PolarHBondContact NH1-OD2 3.48Å; R52-D96 VanDerWaalsContact NH1-OD2 3.1Å; R52-N97 CarbonylContact C-O 3.48Å; R52-N97 WeakPolarHBondContact CA-O 3.4Å; R52-Y98 HydrophobicContact CB-CD1 4.01Å; R52-Y98 HydrophobicContact CB-CE1 3.94Å; R52-Y98 WeakPolarHBondContact CD-OH 3.32Å; R52-Y98 HydrophobicContact CG-CD1 4.2Å; R52-Y98 HydrophobicContact CG-CE1 3.87Å; R52-Y98 HydrophobicContact CG-CE2 4.29Å |
| 53 | N | 93 | Very high | 93.6 | Very high | 9 Ų | 9 | 28.3 Ų | 28.3 | 5% | 0.048 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 63.2 | 6.2 | 172.6 | -62.9 | -29.3 | 0 | 0 | 0 | 116.4 | G51 R69 T70 G71 P72 D96 N97 | G51-N53 PolarHBondContact O-N 2.03Å; N53-R69 WeakPolarHBondContact O-CA 3.47Å; N53-T70 WeakPolarHBondContact CA-OG1 3Å; N53-T70 PolarHBondContact O-N 3.31Å; N53-T70 PolarHBondContact O-OG1 3.17Å; N53-G71 VanDerWaalsContact CB-C 3.5Å; N53-G71 WeakPolarHBondContact CB-O 3.11Å; N53-G71 PolarHBondContact O-N 3.2Å; N53-G71 VanDerWaalsContact OD1-CA 3.29Å; N53-G71 WeakPolarHBondContact OD1-CA 3.32Å; N53-P72 VanDerWaalsContact CG-N 3.31Å; N53-P72 WeakPolarHBondContact ND2-CD 3.27Å; N53-D96 PolarHBondContact ND2-OD1 2.99Å; N53-D96 WeakPolarHBondContact OD1-CA 2.83Å; N53-N97 PolarHBondContact N-O 2.02Å; N53-N97 PolarHBondContact OD1-N 3.24Å |
| 54 | V | 93.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 146.7 | -170.1 | 72.4 | 0 | 0 | 0 | 0 | 113.2 | P33 G51 R52 Y56 R67 I68 T70 | P33-V54 HydrophobicContact CB-CG1 4.16Å; G51-V54 PolarHBondContact N-O 3.43Å; R52-V54 WeakPolarHBondContact O-CG1 3.45Å; R52-V54 PolarHBondContact O-N 2.79Å; V54-Y56 HydrophobicContact CB-CE2 4.28Å; V54-Y56 HydrophobicContact CG1-CD2 4.38Å; V54-Y56 HydrophobicContact CG1-CE2 3.45Å; V54-Y56 VanDerWaalsContact CG1-CE2 3.45Å; V54-Y56 VanDerWaalsContact CG1-OH 3.29Å; V54-Y56 WeakPolarHBondContact CG1-OH 3.3Å; V54-Y56 HydrophobicContact CG2-CD1 4.1Å; V54-Y56 HydrophobicContact CG2-CD2 4.46Å; V54-Y56 HydrophobicContact CG2-CE1 3.45Å; V54-Y56 VanDerWaalsContact CG2-CE1 3.45Å; V54-Y56 HydrophobicContact CG2-CE2 3.88Å; V54-Y56 WeakPolarHBondContact CG2-OH 2.99Å; V54-R67 HydrophobicContact CG2-CG 3.9Å; V54-I68 CarbonylContact C-O 3.56Å; V54-I68 WeakPolarHBondContact CA-O 3Å; V54-T70 PolarHBondContact N-OG1 2.61Å |
| 55 | L | 94.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 128.7 | 171.7 | 170.5 | 69.6 | 0 | 0 | 0 | 109.1 | V49 A50 I68 T70 L102 L111 L130 | V49-L55 CarbonylContact O-C 3.55Å; A50-L55 HydrophobicContact CB-CD1 3.81Å; L55-I68 HydrophobicContact CB-CB 4.24Å; L55-I68 PolarHBondContact N-O 2.92Å; L55-I68 PolarHBondContact O-N 2.81Å; L55-T70 HydrophobicContact CB-CG2 3.99Å; L55-L102 HydrophobicContact CD1-CD1 3.91Å; L55-L111 HydrophobicContact CD1-CD2 3.95Å; L55-L111 HydrophobicContact CD2-CD2 3.88Å; L55-L111 HydrophobicContact CG-CD2 4.46Å; L55-L130 HydrophobicContact CD2-CD1 3.98Å; L55-L130 HydrophobicContact CD2-CD2 4.5Å; L55-L130 HydrophobicContact CG-CD1 4.03Å |
| 56 | Y | 95.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 148.2 | -179.4 | -52 | -76.8 | 0 | 0 | 0 | 111.3 | F25 D27 L35 Y48 V49 V54 L64 Q66 R67 | F25-Y56 HydrophobicContact CE1-CD1 4.13Å; F25-Y56 AromaticContact CE1-CD2 3.99Å; F25-Y56 HydrophobicContact CE1-CD2 3.99Å; F25-Y56 HydrophobicContact CE1-CE1 4.26Å; F25-Y56 HydrophobicContact CE1-CE2 4.13Å; F25-Y56 AromaticContact CE1-CG 3.98Å; F25-Y56 HydrophobicContact CE1-CG 3.98Å; F25-Y56 AromaticContact CZ-CD1 3.76Å; F25-Y56 HydrophobicContact CZ-CD1 3.76Å; F25-Y56 HydrophobicContact CZ-CD2 4.45Å; F25-Y56 AromaticContact CZ-CE1 3.88Å; F25-Y56 HydrophobicContact CZ-CE1 3.88Å; F25-Y56 HydrophobicContact CZ-CG 4.05Å; D27-Y56 HydrophobicContact CB-CE1 4.28Å; D27-Y56 VanDerWaalsContact CB-OH 3.32Å; D27-Y56 WeakPolarHBondContact CB-OH 3.25Å; D27-Y56 PolarHBondContact OD2-OH 3.46Å; L35-Y56 HydrophobicContact CD2-CD2 4.46Å; L35-Y56 HydrophobicContact CD2-CE2 3.88Å; Y48-Y56 VanDerWaalsContact CA-O 3.31Å; Y48-Y56 WeakPolarHBondContact CA-O 3.43Å; V49-Y56 HydrophobicContact CB-CD2 4.27Å; V49-Y56 HydrophobicContact CG1-CD2 4.48Å; V49-Y56 PolarHBondContact N-O 2.9Å; V49-Y56 WeakPolarHBondContact O-CD2 3.39Å; V49-Y56 PolarHBondContact O-N 3.3Å; V54-Y56 HydrophobicContact CB-CE2 4.28Å; V54-Y56 HydrophobicContact CG1-CD2 4.38Å; V54-Y56 HydrophobicContact CG1-CE2 3.45Å; V54-Y56 VanDerWaalsContact CG1-CE2 3.45Å; V54-Y56 VanDerWaalsContact CG1-OH 3.29Å; V54-Y56 WeakPolarHBondContact CG1-OH 3.3Å; V54-Y56 HydrophobicContact CG2-CD1 4.1Å; V54-Y56 HydrophobicContact CG2-CD2 4.46Å; V54-Y56 HydrophobicContact CG2-CE1 3.45Å; V54-Y56 VanDerWaalsContact CG2-CE1 3.45Å; V54-Y56 HydrophobicContact CG2-CE2 3.88Å; V54-Y56 WeakPolarHBondContact CG2-OH 2.99Å; Y56-L64 HydrophobicContact CD1-CD1 3.79Å; Y56-L64 HydrophobicContact CG-CD1 4.45Å; Y56-Q66 CarbonylContact C-O 3.58Å; Y56-Q66 WeakPolarHBondContact CA-O 3.43Å; Y56-R67 HydrophobicContact CD1-CB 4.21Å; Y56-R67 HydrophobicContact CD1-CG 3.99Å; Y56-R67 HydrophobicContact CE1-CB 4.45Å; Y56-R67 HydrophobicContact CE1-CG 3.79Å |
| 57 | R | 95.4 | Very high | 94.1 | Very high | 28 Ų | 28 | 33.3 Ų | 33.3 | 11% | 0.106 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 122.1 | 161.6 | -178.2 | -176.4 | 172.4 | -171.8 | 1.6 | 108.1 | L47 Y48 I65 Q66 D128 L130 | L47-R57 CarbonylContact O-C 3.58Å; L47-R57 WeakPolarHBondContact O-CA 3.46Å; Y48-R57 HydrophobicContact CD1-CB 4.2Å; Y48-R57 HydrophobicContact CD1-CG 4.17Å; Y48-R57 HydrophobicContact CE1-CB 4.13Å; Y48-R57 HydrophobicContact CE1-CG 3.71Å; R57-I65 HydrophobicContact CB-CB 4.47Å; R57-I65 HydrophobicContact CG-CB 4.19Å; R57-I65 HydrophobicContact CG-CD1 4.28Å; R57-I65 WeakPolarHBondContact O-CA 3.46Å; R57-I65 WeakPolarHBondContact O-CB 3.33Å; R57-I65 PolarHBondContact O-N 3.12Å; R57-Q66 HydrophobicContact CB-CB 4.1Å; R57-Q66 PolarHBondContact N-O 3.42Å; R57-Q66 PolarHBondContact O-N 3.35Å; R57-D128 VanDerWaalsContact NH1-C 3.28Å; R57-D128 PolarHBondContact NH1-O 3.08Å; R57-L130 HydrophobicContact CB-CD1 3.79Å; R57-L130 HydrophobicContact CB-CG 4.49Å |
| 58 | L | 95.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 152.1 | -179.2 | -47.8 | 177.8 | 0 | 0 | 0 | 110.1 | F25 H46 L47 V49 L62 R63 L64 | F25-L58 HydrophobicContact CB-CD1 4.11Å; F25-L58 HydrophobicContact CD1-CD1 3.79Å; F25-L58 HydrophobicContact CD1-CD2 4.12Å; F25-L58 HydrophobicContact CD2-CD2 3.84Å; F25-L58 HydrophobicContact CE1-CD1 4.37Å; F25-L58 HydrophobicContact CE1-CD2 4.1Å; F25-L58 HydrophobicContact CE2-CD2 3.84Å; F25-L58 HydrophobicContact CG-CD1 3.87Å; F25-L58 HydrophobicContact CG-CD2 4Å; F25-L58 HydrophobicContact CZ-CD2 3.96Å; H46-L58 WeakPolarHBondContact CA-O 3.41Å; H46-L58 WeakPolarHBondContact CB-O 3.06Å; L47-L58 HydrophobicContact CB-CB 4.24Å; L47-L58 PolarHBondContact N-O 2.9Å; L47-L58 PolarHBondContact O-N 3.24Å; V49-L58 HydrophobicContact CG2-CD1 3.86Å; V49-L58 HydrophobicContact CG2-CG 4.45Å; L58-L62 HydrophobicContact CD1-CD2 4.05Å; L58-R63 CarbonylContact C-O 3.59Å; L58-R63 VanDerWaalsContact CA-O 3.25Å; L58-R63 WeakPolarHBondContact CA-O 3.35Å; L58-L64 HydrophobicContact CD2-CB 4.22Å; L58-L64 HydrophobicContact CD2-CD1 3.77Å |
| 59 | D | 94.3 | Very high | 93.7 | Very high | 32 Ų | 32 | 41.5 Ų | 41.5 | 17% | 0.171 | 19% | 0.186 | C | C | . | . | trans | -76.9 | 176.7 | 167.9 | 78.5 | 4.2 | 0 | 0 | 0 | 112 | N61 L62 R63 I65 | D59-N61 PolarHBondContact O-N 2.93Å; D59-N61 VanDerWaalsContact O-N 3.1Å; D59-N61 VanDerWaalsContact OD1-CA 3.29Å; D59-N61 WeakPolarHBondContact OD1-CA 3.35Å; D59-N61 PolarHBondContact OD1-N 3.03Å; D59-L62 PolarHBondContact O-N 2.05Å; D59-L62 PolarHBondContact OD1-N 3.08Å; D59-R63 PolarHBondContact N-O 3.15Å; D59-R63 WeakPolarHBondContact OD1-CB 3.26Å; D59-R63 PolarHBondContact OD1-N 2.82Å; D59-R63 WeakPolarHBondContact OD2-CB 3.25Å; D59-R63 WeakPolarHBondContact OD2-CD 3.43Å; D59-I65 HydrophobicContact CB-CD1 3.93Å; D59-I65 HydrophobicContact CB-CG1 4.24Å | ||
| 60 | A | 92.6 | Very high | 93.5 | Very high | 32 Ų | 32 | 43.3 Ų | 43.3 | 26% | 0.264 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -11.9 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y467 K476 | A60-Y467 PolarHBondContact O-OH 3.38Å; A60-K476 PolarHBondContact O-NZ 3.46Å |
| 61 | N | 92.5 | Very high | 93.2 | Very high | 83 Ų | 83 | 43.4 Ų | 43.4 | 44% | 0.444 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 19 | 176.5 | -63.8 | -42 | 0 | 0 | 0 | 111.9 | S23 D59 R63 K476 | S23-N61 WeakPolarHBondContact CB-O 3.28Å; S23-N61 PolarHBondContact OG-O 2.86Å; D59-N61 PolarHBondContact O-N 2.93Å; D59-N61 VanDerWaalsContact O-N 3.1Å; D59-N61 VanDerWaalsContact OD1-CA 3.29Å; D59-N61 WeakPolarHBondContact OD1-CA 3.35Å; D59-N61 PolarHBondContact OD1-N 3.03Å; N61-R63 PolarHBondContact O-N 2.85Å; N61-K476 PolarHBondContact OD1-NZ 3.4Å |
| 62 | L | 93.7 | Very high | 93 | Very high | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | trans | 62.2 | 25 | 178.2 | -56.3 | -179.5 | 0 | 0 | 0 | 114.4 | F25 L47 L58 D59 Y467 V474 K476 | F25-L62 HydrophobicContact CB-CB 4.01Å; L47-L62 HydrophobicContact CD1-CD2 3.44Å; L47-L62 VanDerWaalsContact CD1-CD2 3.44Å; L58-L62 HydrophobicContact CD1-CD2 4.05Å; D59-L62 PolarHBondContact O-N 2.05Å; D59-L62 PolarHBondContact OD1-N 3.08Å; L62-Y467 HydrophobicContact CD1-CD1 4.42Å; L62-Y467 HydrophobicContact CD2-CD1 3.83Å; L62-Y467 HydrophobicContact CD2-CE1 3.91Å; L62-Y467 HydrophobicContact CG-CD1 4.29Å; L62-Y467 HydrophobicContact CG-CE1 4.18Å; L62-V474 HydrophobicContact CD1-CG1 4.11Å; L62-V474 WeakPolarHBondContact CD1-O 3.22Å; L62-V474 HydrophobicContact CD2-CB 4.46Å; L62-V474 HydrophobicContact CD2-CG1 3.74Å; L62-K476 HydrophobicContact CD1-CB 3.83Å; L62-K476 HydrophobicContact CG-CB 4.39Å | ||
| 63 | R | 94.3 | Very high | 92.9 | Very high | 173 Ų | 173 | 46.4 Ų | 46.4 | 65% | 0.653 | 22% | 0.22 | S | C | * | . | trans | -82.7 | 134.3 | 171 | -53.7 | 179.7 | 174 | 172.2 | -2.4 | 109.6 | L58 D59 N61 I65 | L58-R63 CarbonylContact C-O 3.59Å; L58-R63 VanDerWaalsContact CA-O 3.25Å; L58-R63 WeakPolarHBondContact CA-O 3.35Å; D59-R63 PolarHBondContact N-O 3.15Å; D59-R63 WeakPolarHBondContact OD1-CB 3.26Å; D59-R63 PolarHBondContact OD1-N 2.82Å; D59-R63 WeakPolarHBondContact OD2-CB 3.25Å; D59-R63 WeakPolarHBondContact OD2-CD 3.43Å; N61-R63 PolarHBondContact O-N 2.85Å; R63-I65 PolarHBondContact O-N 3.36Å | ||
| 64 | L | 93.7 | Very high | 92.8 | Very high | 80 Ų | 80 | 50.4 Ų | 50.4 | 42% | 0.419 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 121.6 | 179.2 | -177.4 | 64.3 | 0 | 0 | 0 | 111.4 | F25 Y56 L58 Q66 R67 | F25-L64 HydrophobicContact CE2-CB 3.94Å; F25-L64 HydrophobicContact CE2-CD1 4.16Å; F25-L64 HydrophobicContact CE2-CD2 4.43Å; F25-L64 HydrophobicContact CE2-CG 4.41Å; F25-L64 HydrophobicContact CZ-CD1 4.16Å; Y56-L64 HydrophobicContact CD1-CD1 3.79Å; Y56-L64 HydrophobicContact CG-CD1 4.45Å; L58-L64 HydrophobicContact CD2-CB 4.22Å; L58-L64 HydrophobicContact CD2-CD1 3.77Å; L64-Q66 VanDerWaalsContact CD1-O 3.31Å; L64-Q66 WeakPolarHBondContact CD1-O 3.38Å; L64-R67 HydrophobicContact CD1-CB 4.37Å; L64-R67 HydrophobicContact CD2-CB 4.35Å |
| 65 | I | 94.1 | Very high | 92.5 | Very high | 73 Ų | 73 | 50.6 Ų | 50.6 | 37% | 0.374 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -48.2 | 173.3 | -54.1 | 177.2 | 0 | 0 | 0 | 110.1 | R57 D59 R63 | R57-I65 HydrophobicContact CB-CB 4.47Å; R57-I65 HydrophobicContact CG-CB 4.19Å; R57-I65 HydrophobicContact CG-CD1 4.28Å; R57-I65 WeakPolarHBondContact O-CA 3.46Å; R57-I65 WeakPolarHBondContact O-CB 3.33Å; R57-I65 PolarHBondContact O-N 3.12Å; D59-I65 HydrophobicContact CB-CD1 3.93Å; D59-I65 HydrophobicContact CB-CG1 4.24Å; R63-I65 PolarHBondContact O-N 3.36Å |
| 66 | Q | 93.4 | Very high | 92 | Very high | 40 Ų | 40 | 51 Ų | 51 | 19% | 0.187 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 143.1 | 179.7 | -67.2 | -176.3 | -30.3 | 0 | 0 | 111.3 | Y56 R57 L64 D129 | Y56-Q66 CarbonylContact C-O 3.58Å; Y56-Q66 WeakPolarHBondContact CA-O 3.43Å; R57-Q66 HydrophobicContact CB-CB 4.1Å; R57-Q66 PolarHBondContact N-O 3.42Å; R57-Q66 PolarHBondContact O-N 3.35Å; L64-Q66 VanDerWaalsContact CD1-O 3.31Å; L64-Q66 WeakPolarHBondContact CD1-O 3.38Å; Q66-D129 PolarHBondContact NE2-OD1 3.45Å |
| 67 | R | 92.4 | Very high | 91.3 | Very high | 92 Ų | 92 | 54.7 Ų | 54.7 | 35% | 0.347 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 128.2 | 172.3 | 179.3 | -179.7 | -171.8 | -84.9 | 0.8 | 109 | D27 E30 V54 Y56 L64 | D27-R67 IonicContact OD2-CZ 3.84Å; D27-R67 IonicContact OD2-NE 2.93Å; D27-R67 PolarHBondContact OD2-NE 3.12Å; D27-R67 IonicContact OD2-NH2 3.82Å; D27-R67 PolarHBondContact OD2-NH2 3.11Å; E30-R67 IonicContact OE2-NH2 3.31Å; E30-R67 PolarHBondContact OE2-NH2 2.83Å; V54-R67 HydrophobicContact CG2-CG 3.9Å; Y56-R67 HydrophobicContact CD1-CB 4.21Å; Y56-R67 HydrophobicContact CD1-CG 3.99Å; Y56-R67 HydrophobicContact CE1-CB 4.45Å; Y56-R67 HydrophobicContact CE1-CG 3.79Å; L64-R67 HydrophobicContact CD1-CB 4.37Å; L64-R67 HydrophobicContact CD2-CB 4.35Å |
| 68 | I | 91.3 | Very high | 90.6 | Very high | 10 Ų | 10 | 58 Ų | 58 | 5% | 0.051 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 129.9 | -178.3 | -55.2 | -64 | 0 | 0 | 0 | 108.9 | V54 L55 L130 N131 | V54-I68 CarbonylContact C-O 3.56Å; V54-I68 WeakPolarHBondContact CA-O 3Å; L55-I68 HydrophobicContact CB-CB 4.24Å; L55-I68 PolarHBondContact N-O 2.92Å; L55-I68 PolarHBondContact O-N 2.81Å; I68-L130 HydrophobicContact CD1-CB 3.96Å; I68-L130 HydrophobicContact CG1-CB 3.62Å; I68-L130 HydrophobicContact CG1-CD1 4.16Å; I68-N131 WeakPolarHBondContact CD1-OD1 3.45Å |
| 69 | R | 91.7 | Very high | 90 | Very high | 162 Ų | 162 | 58 Ų | 58 | 61% | 0.611 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 127.3 | 171.8 | -176 | 179.8 | 170.7 | -160.7 | -9.9 | 109.4 | N53 G71 P72 | N53-R69 WeakPolarHBondContact O-CA 3.47Å; R69-G71 WeakPolarHBondContact CG-O 3.28Å; R69-G71 PolarHBondContact NE-O 3.33Å; R69-P72 PolarHBondContact NH2-O 3.47Å |
| 70 | T | 90.5 | Very high | 89.4 | Confident | 38 Ų | 38 | 57.9 Ų | 57.9 | 23% | 0.233 | 29% | 0.285 | C | S | . | . | trans | -113.2 | -6 | 177.4 | 63.5 | 0 | 0 | 0 | 0 | 113.3 | N53 V54 L55 N97 | N53-T70 WeakPolarHBondContact CA-OG1 3Å; N53-T70 PolarHBondContact O-N 3.31Å; N53-T70 PolarHBondContact O-OG1 3.17Å; V54-T70 PolarHBondContact N-OG1 2.61Å; L55-T70 HydrophobicContact CB-CG2 3.99Å; T70-N97 WeakPolarHBondContact O-CB 3.39Å; T70-N97 PolarHBondContact O-ND2 3.2Å | ||
| 71 | G | 88.2 | Confident | 88.9 | Confident | 5 Ų | 5 | 60.7 Ų | 60.7 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | trans | -177.1 | -170.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | N53 R69 | N53-G71 VanDerWaalsContact CB-C 3.5Å; N53-G71 WeakPolarHBondContact CB-O 3.11Å; N53-G71 PolarHBondContact O-N 3.2Å; N53-G71 VanDerWaalsContact OD1-CA 3.29Å; N53-G71 WeakPolarHBondContact OD1-CA 3.32Å; R69-G71 WeakPolarHBondContact CG-O 3.28Å; R69-G71 PolarHBondContact NE-O 3.33Å | ||
| 72 | P | 90.8 | Very high | 88.1 | Confident | 34 Ų | 34 | 60.2 Ų | 60.2 | 22% | 0.221 | 29% | 0.287 | C | S | . | . | cis | -67.1 | 158.6 | -12.9 | 27.1 | -29.2 | 0 | 0 | 0 | 110.6 | N53 R69 M94 T95 | N53-P72 VanDerWaalsContact CG-N 3.31Å; N53-P72 WeakPolarHBondContact ND2-CD 3.27Å; R69-P72 PolarHBondContact NH2-O 3.47Å; P72-M94 HydrophobicContact CB-CE 4.14Å; P72-M94 HydrophobicContact CG-CE 3.77Å; P72-M94 WeakPolarHBondContact O-CE 3.26Å; P72-T95 WeakPolarHBondContact CA-O 3.49Å; P72-T95 WeakPolarHBondContact CB-O 3.45Å | ||
| 73 | D | 90.6 | Very high | 87.2 | Confident | 75 Ų | 75 | 60.2 Ų | 60.2 | 40% | 0.401 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 164.7 | 177.3 | -151.5 | -16.3 | 0 | 0 | 0 | 110.7 | D75 M94 T95 L117 F118 | D73-D75 PolarHBondContact O-N 3.03Å; D73-M94 WeakPolarHBondContact O-CA 3.14Å; D73-T95 PolarHBondContact N-O 2.93Å; D73-T95 VanDerWaalsContact N-O 3.14Å; D73-T95 PolarHBondContact O-N 2.8Å; D73-L117 HydrophobicContact CB-CD1 3.65Å; D73-F118 HydrophobicContact CB-CZ 4.33Å |
| 74 | L | 89.9 | Confident | 86.4 | Confident | 94 Ų | 94 | 56 Ų | 56 | 49% | 0.492 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 103.2 | 179.1 | -74.6 | 171.7 | 0 | 0 | 0 | 111 | R92 M94 | L74-R92 HydrophobicContact CB-CB 4.5Å; L74-M94 HydrophobicContact CD2-CG 4.18Å; L74-M94 HydrophobicContact CD2-SD 4.32Å; L74-M94 HydrophobicContact CG-SD 4.21Å |
| 75 | D | 87.7 | Confident | 85.7 | Confident | 5 Ų | 5 | 53.7 Ų | 53.7 | 3% | 0.027 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 168.2 | -177.5 | -167 | 19 | 0 | 0 | 0 | 111.1 | D73 S93 T95 L117 F118 | D73-D75 PolarHBondContact O-N 3.03Å; D75-S93 PolarHBondContact N-O 2.8Å; D75-S93 PolarHBondContact O-N 3.22Å; D75-S93 VanDerWaalsContact O-O 3.07Å; D75-T95 PolarHBondContact O-OG1 2.77Å; D75-L117 HydrophobicContact CB-CD2 3.65Å; D75-L117 WeakPolarHBondContact OD2-CA 3.29Å; D75-F118 PolarHBondContact OD2-N 3.44Å |
| 76 | S | 84.8 | Confident | 84.5 | Confident | 10 Ų | 10 | 56.6 Ų | 56.6 | 7% | 0.07 | 28% | 0.283 | C | S | . | . | trans | -147.6 | 141.6 | 165.1 | 165 | 0 | 0 | 0 | 0 | 109.1 | Q78 C79 | S76-Q78 PolarHBondContact O-N 2.01Å; S76-Q78 PolarHBondContact OG-N 2.85Å; S76-C79 WeakPolarHBondContact O-CB 3.19Å; S76-C79 PolarHBondContact O-N 2.91Å | ||
| 77 | P | 79.8 | Confident | 83.2 | Confident | 77 Ų | 77 | 58.6 Ų | 58.6 | 50% | 0.5 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -17.9 | 174.1 | -23.1 | 32.8 | 0 | 0 | 0 | 114.2 | Q119 | P77-Q119 PolarHBondContact O-NE2 3.23Š|
| 78 | Q | 79.8 | Confident | 81.9 | Confident | 98 Ų | 98 | 60.5 Ų | 60.5 | 46% | 0.458 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 5.2 | 176.9 | -63.2 | 177.4 | -26.4 | 0 | 0 | 113.6 | S76 V90 Y181 | S76-Q78 PolarHBondContact O-N 2.01Å; S76-Q78 PolarHBondContact OG-N 2.85Å; Q78-V90 HydrophobicContact CB-CG1 3.94Å; Q78-V90 HydrophobicContact CB-CG2 4.11Å; Q78-Y181 WeakPolarHBondContact O-CE2 3.36Å |
| 79 | C | 83.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -103.5 | 155 | 175.3 | -57.1 | 0 | 0 | 0 | 0 | 110.7 | S76 C85 Q119 | S76-C79 WeakPolarHBondContact O-CB 3.19Å; S76-C79 PolarHBondContact O-N 2.91Å; C79-C85 HydrophobicContact CB-CB 4.03Å; C79-C85 WeakPolarHBondContact CB-SG 3.38Å; C79-C85 WeakPolarHBondContact SG-CB 3.42Å; C79-C85 CovalentContact SG-SG 2.02Å; C79-C85 PolarHBondContact SG-SG 2.92Å; C79-Q119 WeakPolarHBondContact O-CG 3.29Å; C79-Q119 PolarHBondContact O-NE2 2.71Å |
| 80 | N | 82 | Confident | 80.2 | Confident | 29 Ų | 29 | 57.2 Ų | 57.2 | 16% | 0.155 | 34% | 0.336 | C | S | . | . | trans | -70 | 165.9 | -179.9 | -170.6 | 22 | 0 | 0 | 0 | 111.7 | N82 G83 D84 Y181 | N80-N82 WeakPolarHBondContact CB-OD1 3.43Å; N80-N82 PolarHBondContact ND2-OD1 3.45Å; N80-N82 PolarHBondContact O-N 3.1Å; N80-N82 VanDerWaalsContact O-N 3.1Å; N80-G83 WeakPolarHBondContact O-CA 3.19Å; N80-G83 PolarHBondContact O-N 2.79Å; N80-D84 VanDerWaalsContact CB-O 3.31Å; N80-D84 WeakPolarHBondContact CB-O 3.4Å; N80-D84 PolarHBondContact N-O 2.89Å; N80-Y181 HydrophobicContact CB-CD1 4.05Å; N80-Y181 HydrophobicContact CB-CE1 3.87Å | ||
| 81 | Y | 81.4 | Confident | 79.7 | Confident | 92 Ų | 92 | 61.2 Ų | 61.2 | 36% | 0.361 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -14.6 | -178.1 | 63.2 | -99.2 | 0 | 0 | 0 | 114.7 | G83 F118 A141 | Y81-G83 VanDerWaalsContact C-N 3.32Å; Y81-F118 WeakPolarHBondContact CA-O 3.41Å; Y81-F118 WeakPolarHBondContact O-CB 3.06Å; Y81-A141 HydrophobicContact CD2-CB 3.61Å; Y81-A141 VanDerWaalsContact CD2-O 3.24Å; Y81-A141 WeakPolarHBondContact CD2-O 3.45Å; Y81-A141 HydrophobicContact CE2-CB 4.12Å; Y81-A141 WeakPolarHBondContact CE2-O 3.48Å |
| 82 | N | 75.7 | Confident | 79.6 | Confident | 73 Ų | 73 | 66.3 Ų | 66.3 | 39% | 0.39 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 4.3 | 173.1 | 67.8 | -15.3 | 0 | 0 | 0 | 112.2 | N80 D84 | N80-N82 WeakPolarHBondContact CB-OD1 3.43Å; N80-N82 PolarHBondContact ND2-OD1 3.45Å; N80-N82 PolarHBondContact O-N 3.1Å; N80-N82 VanDerWaalsContact O-N 3.1Å; N82-D84 VanDerWaalsContact C-N 3.3Å; N82-D84 PolarHBondContact ND2-OD2 3.12Å; N82-D84 PolarHBondContact O-N 2.92Å; N82-D84 WeakPolarHBondContact OD1-CB 3.22Å; N82-D84 PolarHBondContact OD1-N 2.94Å |
| 83 | G | 74.4 | Confident | 79.5 | Confident | 4 Ų | 4 | 67.8 Ų | 67.8 | 4% | 0.041 | 39% | 0.389 | C | S | . | . | S | Bend | trans | 85.5 | -12.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | N80 Y81 R92 | N80-G83 WeakPolarHBondContact O-CA 3.19Å; N80-G83 PolarHBondContact O-N 2.79Å; Y81-G83 VanDerWaalsContact C-N 3.32Å; G83-R92 PolarHBondContact O-NE 2.79Å; G83-R92 PolarHBondContact O-NH1 3.24Å; G83-R92 PolarHBondContact O-NH2 2.88Å |
| 84 | D | 77.8 | Confident | 79.6 | Confident | 84 Ų | 84 | 69.4 Ų | 69.4 | 45% | 0.449 | 40% | 0.396 | S | S | . | . | trans | -70.6 | 132.8 | -177.4 | -67.4 | -29 | 0 | 0 | 0 | 112 | N80 N82 | N80-D84 VanDerWaalsContact CB-O 3.31Å; N80-D84 WeakPolarHBondContact CB-O 3.4Å; N80-D84 PolarHBondContact N-O 2.89Å; N82-D84 VanDerWaalsContact C-N 3.3Å; N82-D84 PolarHBondContact ND2-OD2 3.12Å; N82-D84 PolarHBondContact O-N 2.92Å; N82-D84 WeakPolarHBondContact OD1-CB 3.22Å; N82-D84 PolarHBondContact OD1-N 2.94Å | ||
| 85 | C | 78.9 | Confident | 79.6 | Confident | 33 Ų | 33 | 66.8 Ų | 66.8 | 22% | 0.223 | 38% | 0.384 | C | S | . | . | trans | -112.8 | 101.4 | 178.9 | -39.4 | 0 | 0 | 0 | 0 | 107.6 | C79 L87 V90 R92 | C79-C85 HydrophobicContact CB-CB 4.03Å; C79-C85 WeakPolarHBondContact CB-SG 3.38Å; C79-C85 WeakPolarHBondContact SG-CB 3.42Å; C79-C85 CovalentContact SG-SG 2.02Å; C79-C85 PolarHBondContact SG-SG 2.92Å; C85-L87 VanDerWaalsContact C-N 3.32Å; C85-V90 HydrophobicContact CB-CB 4.15Å; C85-V90 HydrophobicContact CB-CG1 4.23Å; C85-R92 PolarHBondContact SG-NE 3.41Å | ||
| 86 | I | 69.7 | Low | 79.8 | Confident | 133 Ų | 133 | 68.6 Ų | 68.6 | 68% | 0.682 | 39% | 0.393 | S | S | * | . | trans | -78.5 | -22.4 | -176.6 | -58.6 | 170.3 | 0 | 0 | 0 | 111 | ||||
| 87 | L | 66.8 | Low | 80.2 | Confident | 82 Ų | 82 | 69.1 Ų | 69.1 | 43% | 0.429 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -76.6 | 121.5 | -179.9 | -70.2 | 161.7 | 0 | 0 | 0 | 111.2 | C85 G89 V90 Y181 | C85-L87 VanDerWaalsContact C-N 3.32Å; L87-G89 PolarHBondContact O-N 3.08Å; L87-V90 HydrophobicContact CB-CG2 3.62Å; L87-V90 WeakPolarHBondContact O-CG2 3.32Å; L87-V90 PolarHBondContact O-N 2.98Å; L87-Y181 HydrophobicContact CD1-CE2 4.42Å |
| 88 | S | 65 | Low | 80.9 | Confident | 132 Ų | 132 | 67.6 Ų | 67.6 | 92% | 0.923 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 124.9 | 175.4 | -63.1 | 0 | 0 | 0 | 0 | 111.3 | ||
| 89 | G | 72.9 | Confident | 81.6 | Confident | 76 Ų | 76 | 63.6 Ų | 63.6 | 78% | 0.784 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.3 | -0.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | L87 V91 | L87-G89 PolarHBondContact O-N 3.08Å; G89-V91 PolarHBondContact O-N 3.22Å |
| 90 | V | 74.5 | Confident | 82.1 | Confident | 28 Ų | 28 | 64.1 Ų | 64.1 | 17% | 0.17 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 116.7 | 175.5 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | Q78 C85 L87 | Q78-V90 HydrophobicContact CB-CG1 3.94Å; Q78-V90 HydrophobicContact CB-CG2 4.11Å; C85-V90 HydrophobicContact CB-CB 4.15Å; C85-V90 HydrophobicContact CB-CG1 4.23Å; L87-V90 HydrophobicContact CB-CG2 3.62Å; L87-V90 WeakPolarHBondContact O-CG2 3.32Å; L87-V90 PolarHBondContact O-N 2.98Å |
| 91 | V | 79.7 | Confident | 82.7 | Confident | 122 Ų | 122 | 62.9 Ų | 62.9 | 74% | 0.739 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -93.2 | 118.9 | 176.8 | -178 | 0 | 0 | 0 | 0 | 109.4 | G89 | G89-V91 PolarHBondContact O-N 3.22Š|
| 92 | R | 86.1 | Confident | 83.4 | Confident | 111 Ų | 111 | 58.9 Ų | 58.9 | 42% | 0.419 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 140.6 | 169.8 | -59.4 | -176.3 | -163.2 | 174.7 | 4.6 | 109.5 | L74 G83 C85 | L74-R92 HydrophobicContact CB-CB 4.5Å; G83-R92 PolarHBondContact O-NE 2.79Å; G83-R92 PolarHBondContact O-NH1 3.24Å; G83-R92 PolarHBondContact O-NH2 2.88Å; C85-R92 PolarHBondContact SG-NE 3.41Å |
| 93 | S | 88.6 | Confident | 84.3 | Confident | 66 Ų | 66 | 56.8 Ų | 56.8 | 46% | 0.462 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 159.7 | 177.5 | 65.4 | 0 | 0 | 0 | 0 | 110.1 | D75 T95 | D75-S93 PolarHBondContact N-O 2.8Å; D75-S93 PolarHBondContact O-N 3.22Å; D75-S93 VanDerWaalsContact O-O 3.07Å; S93-T95 PolarHBondContact O-N 2.95Å; S93-T95 PolarHBondContact O-OG1 3.11Å; S93-T95 VanDerWaalsContact O-OG1 3.06Å |
| 94 | M | 92.3 | Very high | 85.2 | Confident | 109 Ų | 109 | 58.1 Ų | 58.1 | 54% | 0.537 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 103.6 | 174 | -80.3 | -66.6 | -93.3 | 0 | 0 | 109.5 | P72 D73 L74 | P72-M94 HydrophobicContact CB-CE 4.14Å; P72-M94 HydrophobicContact CG-CE 3.77Å; P72-M94 WeakPolarHBondContact O-CE 3.26Å; D73-M94 WeakPolarHBondContact O-CA 3.14Å; L74-M94 HydrophobicContact CD2-CG 4.18Å; L74-M94 HydrophobicContact CD2-SD 4.32Å; L74-M94 HydrophobicContact CG-SD 4.21Å |
| 95 | T | 89.8 | Confident | 85.7 | Confident | 39 Ų | 39 | 54.3 Ų | 54.3 | 24% | 0.239 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 134 | -174.3 | -58.8 | 0 | 0 | 0 | 0 | 109.3 | P72 D73 D75 S93 L117 | P72-T95 WeakPolarHBondContact CA-O 3.49Å; P72-T95 WeakPolarHBondContact CB-O 3.45Å; D73-T95 PolarHBondContact N-O 2.93Å; D73-T95 VanDerWaalsContact N-O 3.14Å; D73-T95 PolarHBondContact O-N 2.8Å; D75-T95 PolarHBondContact O-OG1 2.77Å; S93-T95 PolarHBondContact O-N 2.95Å; S93-T95 PolarHBondContact O-OG1 3.11Å; S93-T95 VanDerWaalsContact O-OG1 3.06Å; T95-L117 HydrophobicContact CG2-CD2 3.87Å |
| 96 | D | 92.5 | Very high | 85.8 | Confident | 43 Ų | 43 | 57.1 Ų | 57.1 | 23% | 0.23 | 33% | 0.334 | C | S | . | . | trans | -72.5 | 137.1 | 178.6 | -79.8 | -23.2 | 0 | 0 | 0 | 111 | R52 N53 Y98 T116 | R52-D96 WeakPolarHBondContact CD-OD2 3.31Å; R52-D96 HydrophobicContact CG-CB 4.04Å; R52-D96 IonicContact CZ-OD2 3.89Å; R52-D96 IonicContact NH1-OD2 3.15Å; R52-D96 PolarHBondContact NH1-OD2 3.48Å; R52-D96 VanDerWaalsContact NH1-OD2 3.1Å; N53-D96 PolarHBondContact ND2-OD1 2.99Å; N53-D96 WeakPolarHBondContact OD1-CA 2.83Å; D96-Y98 HydrophobicContact CB-CD2 4.21Å; D96-Y98 HydrophobicContact CB-CE2 3.58Å; D96-T116 PolarHBondContact O-OG1 3.22Å | ||
| 97 | N | 93.4 | Very high | 86.4 | Confident | 21 Ų | 21 | 54.4 Ų | 54.4 | 11% | 0.112 | 33% | 0.331 | C | S | . | . | trans | -94.9 | 109.7 | 175.9 | -164.4 | 2.6 | 0 | 0 | 0 | 111.3 | R52 N53 T70 G115 T116 L117 | R52-N97 CarbonylContact C-O 3.48Å; R52-N97 WeakPolarHBondContact CA-O 3.4Å; N53-N97 PolarHBondContact N-O 2.02Å; N53-N97 PolarHBondContact OD1-N 3.24Å; T70-N97 WeakPolarHBondContact O-CB 3.39Å; T70-N97 PolarHBondContact O-ND2 3.2Å; N97-G115 WeakPolarHBondContact OD1-CA 3.16Å; N97-T116 PolarHBondContact OD1-N 3.37Å; N97-L117 HydrophobicContact CB-CB 4.47Å; N97-L117 HydrophobicContact CB-CD1 3.53Å; N97-L117 HydrophobicContact CB-CG 3.64Å; N97-L117 PolarHBondContact OD1-N 3.03Å | ||
| 98 | Y | 94 | Very high | 87.4 | Confident | 45 Ų | 45 | 54.3 Ų | 54.3 | 18% | 0.176 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -96.4 | 124.8 | 175.7 | -66.8 | -99.1 | 0 | 0 | 0 | 110.1 | R52 D96 Q100 G115 T116 P149 | R52-Y98 HydrophobicContact CB-CD1 4.01Å; R52-Y98 HydrophobicContact CB-CE1 3.94Å; R52-Y98 WeakPolarHBondContact CD-OH 3.32Å; R52-Y98 HydrophobicContact CG-CD1 4.2Å; R52-Y98 HydrophobicContact CG-CE1 3.87Å; R52-Y98 HydrophobicContact CG-CE2 4.29Å; D96-Y98 HydrophobicContact CB-CD2 4.21Å; D96-Y98 HydrophobicContact CB-CE2 3.58Å; Y98-Q100 PolarHBondContact O-N 3.09Å; Y98-G115 CarbonylContact O-C 3.57Å; Y98-G115 WeakPolarHBondContact O-CA 3.3Å; Y98-T116 PolarHBondContact N-OG1 3.11Å; Y98-T116 PolarHBondContact O-N 3.29Å; Y98-T116 VanDerWaalsContact O-N 3.12Å; Y98-P149 HydrophobicContact CD1-CB 4.09Å; Y98-P149 HydrophobicContact CD2-CB 3.61Å; Y98-P149 HydrophobicContact CD2-CG 4.36Å; Y98-P149 HydrophobicContact CE1-CB 4.26Å; Y98-P149 HydrophobicContact CE2-CB 3.79Å; Y98-P149 HydrophobicContact CE2-CG 4.25Å; Y98-P149 HydrophobicContact CG-CB 3.74Å |
| 99 | N | 94.6 | Very high | 88.6 | Confident | 13 Ų | 13 | 52.2 Ų | 52.2 | 7% | 0.07 | 30% | 0.297 | C | S | . | . | trans | -65 | 129.5 | 175.6 | -176.8 | -106 | 0 | 0 | 0 | 111.5 | R36 H37 A50 G51 I101 C114 | R36-N99 WeakPolarHBondContact CB-O 3.49Å; H37-N99 PolarHBondContact CD2-OD1 3.4Å; H37-N99 VanDerWaalsContact CD2-OD1 3.29Å; A50-N99 HydrophobicContact CB-CB 3.64Å; A50-N99 WeakPolarHBondContact CB-OD1 3.44Å; G51-N99 PolarHBondContact O-N 3.38Å; N99-I101 PolarHBondContact ND2-O 3.16Å; N99-I101 PolarHBondContact OD1-O 3.09Å; N99-C114 PolarHBondContact ND2-O 3.06Å; N99-C114 VanDerWaalsContact ND2-O 3.09Å | ||
| 100 | Q | 93.8 | Very high | 89.5 | Confident | 11 Ų | 11 | 48.9 Ų | 48.9 | 5% | 0.051 | 26% | 0.261 | C | S | . | . | trans | -115.7 | -24.8 | -177.3 | -72.8 | -76.3 | -13.2 | 0 | 0 | 112.7 | H37 Y98 C114 T116 A145 E148 S151 T153 | H37-Q100 PolarHBondContact NE2-O 2.83Å; Y98-Q100 PolarHBondContact O-N 3.09Å; Q100-C114 PolarHBondContact N-O 3.16Å; Q100-T116 HydrophobicContact CG-CG2 4.01Å; Q100-A145 HydrophobicContact CB-CB 3.64Å; Q100-A145 HydrophobicContact CG-CB 4.18Å; Q100-E148 PolarHBondContact NE2-O 3.08Å; Q100-S151 PolarHBondContact NE2-O 3.11Å; Q100-S151 VanDerWaalsContact NE2-O 3.16Å; Q100-S151 PolarHBondContact OE1-O 3.31Å; Q100-T153 PolarHBondContact OE1-OG1 2.95Å; Q100-T153 VanDerWaalsContact OE1-OG1 3.09Å | ||
| 101 | I | 94.6 | Very high | 90.4 | Very high | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 134 | 177.2 | -60.8 | 172.8 | 0 | 0 | 0 | 107.9 | N99 L103 A113 C114 V144 A145 T153 A155 V172 | N99-I101 PolarHBondContact ND2-O 3.16Å; N99-I101 PolarHBondContact OD1-O 3.09Å; I101-L103 HydrophobicContact CG2-CD1 3.84Å; I101-L103 HydrophobicContact CG2-CG 3.92Å; I101-A113 WeakPolarHBondContact O-CA 3.37Å; I101-C114 HydrophobicContact CB-CB 3.84Å; I101-C114 HydrophobicContact CD1-CB 4.12Å; I101-C114 HydrophobicContact CG1-CB 4.22Å; I101-C114 PolarHBondContact N-O 2.95Å; I101-C114 PolarHBondContact O-N 2.78Å; I101-V144 HydrophobicContact CD1-CG1 3.93Å; I101-A145 HydrophobicContact CD1-CB 4.32Å; I101-T153 HydrophobicContact CD1-CG2 3.68Å; I101-T153 HydrophobicContact CG1-CG2 3.64Å; I101-A155 HydrophobicContact CD1-CB 3.62Å; I101-A155 HydrophobicContact CG1-CB 3.83Å; I101-A155 HydrophobicContact CG2-CB 3.94Å; I101-V172 HydrophobicContact CD1-CG1 4.47Å |
| 102 | L | 95.5 | Very high | 91.1 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 4% | 0.037 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 111.6 | 170.2 | -168.9 | 68.2 | 0 | 0 | 0 | 108.9 | H37 V39 Y48 A50 L55 L111 I112 A113 | H37-L102 HydrophobicContact CB-CB 3.66Å; H37-L102 HydrophobicContact CB-CD2 4.05Å; V39-L102 HydrophobicContact CG1-CG 4.43Å; V39-L102 VanDerWaalsContact CG1-O 3.25Å; V39-L102 WeakPolarHBondContact CG1-O 3.05Å; V39-L102 HydrophobicContact CG2-CD2 3.93Å; V39-L102 HydrophobicContact CG2-CG 3.88Å; Y48-L102 WeakPolarHBondContact O-CD2 3.36Å; A50-L102 HydrophobicContact CB-CD1 4.05Å; A50-L102 HydrophobicContact CB-CD2 3.91Å; A50-L102 HydrophobicContact CB-CG 4.48Å; L55-L102 HydrophobicContact CD1-CD1 3.91Å; L102-L111 HydrophobicContact CD1-CD1 3.85Å; L102-L111 HydrophobicContact CD1-CD2 3.99Å; L102-L111 HydrophobicContact CD1-CG 4.03Å; L102-L111 HydrophobicContact CG-CD1 4.25Å; L102-I112 WeakPolarHBondContact CA-O 3.22Å; L102-A113 HydrophobicContact CD1-CB 4.08Å |
| 103 | L | 94.6 | Very high | 91.4 | Very high | 30 Ų | 30 | 37 Ų | 37 | 16% | 0.157 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 144.3 | -175.6 | -66.2 | 171.8 | 0 | 0 | 0 | 111.2 | I101 I112 A155 L170 | I101-L103 HydrophobicContact CG2-CD1 3.84Å; I101-L103 HydrophobicContact CG2-CG 3.92Å; L103-I112 PolarHBondContact N-O 2.97Å; L103-I112 PolarHBondContact O-N 2.94Å; L103-A155 HydrophobicContact CD1-CB 4.03Å; L103-L170 HydrophobicContact CD1-CD1 3.57Å |
| 104 | I | 93.3 | Very high | 91.7 | Very high | 31 Ų | 31 | 34 Ų | 34 | 16% | 0.159 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 126.5 | 172.1 | -62.8 | 177.1 | 0 | 0 | 0 | 108.8 | V39 D41 Y48 P106 L111 L127 L157 | V39-I104 HydrophobicContact CB-CD1 4.4Å; V39-I104 HydrophobicContact CB-CG1 4.46Å; V39-I104 HydrophobicContact CG2-CD1 3.99Å; V39-I104 HydrophobicContact CG2-CG1 3.86Å; D41-I104 HydrophobicContact CB-CD1 4.06Å; Y48-I104 HydrophobicContact CD2-CD1 3.97Å; Y48-I104 HydrophobicContact CE2-CD1 4.18Å; I104-P106 VanDerWaalsContact O-CD 3.26Å; I104-P106 WeakPolarHBondContact O-CD 3.5Å; I104-L111 HydrophobicContact CG1-CD1 3.93Å; I104-L127 HydrophobicContact CD1-CD2 4.32Å; I104-L127 HydrophobicContact CG1-CD2 4.13Å; I104-L127 HydrophobicContact CG2-CD1 3.82Å; I104-L127 HydrophobicContact CG2-CD2 4.28Å; I104-L157 WeakPolarHBondContact O-CD1 3.37Å |
| 105 | H | 90 | Very high | 91.6 | Very high | 5 Ų | 5 | 29.1 Ų | 29.1 | 2% | 0.023 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 108.8 | 166.3 | -172.7 | -31 | 0 | 0 | 0 | 108.9 | A107 R108 R109 V110 P168 | H105-A107 PolarHBondContact ND1-N 3.2Å; H105-A107 PolarHBondContact O-N 3.31Å; H105-R108 PolarHBondContact ND1-N 2.59Å; H105-R109 PolarHBondContact O-N 3.32Å; H105-V110 HydrophobicContact CB-CG2 3.79Å; H105-V110 PolarHBondContact N-O 3.3Å; H105-V110 PolarHBondContact O-N 3.34Å; H105-P168 VanDerWaalsContact CE1-CG 3.48Å; H105-P168 WeakPolarHBondContact CE1-CG 3.1Å |
| 106 | P | 81.1 | Confident | 91.7 | Very high | 92 Ų | 92 | 27.6 Ų | 27.6 | 60% | 0.597 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -46.3 | -169.6 | 23.3 | -33 | 0 | 0 | 0 | 112.7 | I104 R109 | I104-P106 VanDerWaalsContact O-CD 3.26Å; I104-P106 WeakPolarHBondContact O-CD 3.5Å; P106-R109 PolarHBondContact O-N 3.25Å |
| 107 | A | 82.5 | Confident | 91.6 | Very high | 75 Ų | 75 | 25.9 Ų | 25.9 | 62% | 0.62 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -38.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | H105 | H105-A107 PolarHBondContact ND1-N 3.2Å; H105-A107 PolarHBondContact O-N 3.31Å |
| 108 | R | 86.6 | Confident | 91.4 | Very high | 81 Ų | 81 | 27.7 Ų | 27.7 | 31% | 0.306 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -7.1 | -179.6 | -67.1 | -169.9 | -170.2 | 160.7 | 15 | 114.1 | H105 V110 L193 | H105-R108 PolarHBondContact ND1-N 2.59Å; R108-V110 VanDerWaalsContact C-N 3.34Å; R108-V110 HydrophobicContact CB-CG2 3.99Å; R108-V110 PolarHBondContact O-N 3.14Å; R108-L193 VanDerWaalsContact CZ-O 3.24Å; R108-L193 PolarHBondContact NH1-O 2.94Å; R108-L193 PolarHBondContact NH2-O 3.33Å |
| 109 | R | 90.1 | Very high | 91.1 | Very high | 88 Ų | 88 | 25.7 Ų | 25.7 | 33% | 0.332 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 50.4 | -174.9 | -64.5 | -167.9 | 65.6 | 75.2 | 8.3 | 112.8 | D41 H105 P106 L127 | D41-R109 IonicContact OD1-NH1 2.6Å; D41-R109 IonicContact OD2-CZ 3.52Å; D41-R109 IonicContact OD2-NH1 3.71Å; D41-R109 IonicContact OD2-NH2 2.67Å; D41-R109 PolarHBondContact OD2-NH2 2.84Å; H105-R109 PolarHBondContact O-N 3.32Å; P106-R109 PolarHBondContact O-N 3.25Å; R109-L127 VanDerWaalsContact C-CG 3.47Å; R109-L127 HydrophobicContact CB-CD1 3.92Å; R109-L127 WeakPolarHBondContact O-CB 3.36Å; R109-L127 VanDerWaalsContact O-CG 3.23Å; R109-L127 WeakPolarHBondContact O-CG 3.46Å; R109-L127 PolarHBondContact O-N 3.46Å; R109-L127 VanDerWaalsContact O-N 3.15Å |
| 110 | V | 91.9 | Very high | 90.9 | Very high | 5 Ų | 5 | 25.1 Ų | 25.1 | 3% | 0.03 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 153.6 | 176.4 | -64.9 | 0 | 0 | 0 | 0 | 112.7 | H105 R108 V124 R125 E134 | H105-V110 HydrophobicContact CB-CG2 3.79Å; H105-V110 PolarHBondContact N-O 3.3Å; H105-V110 PolarHBondContact O-N 3.34Å; R108-V110 VanDerWaalsContact C-N 3.34Å; R108-V110 HydrophobicContact CB-CG2 3.99Å; R108-V110 PolarHBondContact O-N 3.14Å; V110-V124 HydrophobicContact CB-CG1 3.8Å; V110-V124 HydrophobicContact CG1-CG1 4.35Å; V110-V124 HydrophobicContact CG2-CG1 3.63Å; V110-R125 CarbonylContact C-O 3.26Å; V110-R125 VanDerWaalsContact CA-O 3.3Å; V110-R125 WeakPolarHBondContact CA-O 3.35Å; V110-R125 WeakPolarHBondContact CB-O 3.47Å; V110-E134 WeakPolarHBondContact CG1-OE2 3.27Å |
| 111 | L | 93.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 122.6 | 177.1 | -173 | 73.3 | 0 | 0 | 0 | 109.5 | V39 Y48 L55 L102 I104 V124 R125 L127 L130 | V39-L111 HydrophobicContact CG2-CD1 4.04Å; Y48-L111 HydrophobicContact CD1-CD1 4.48Å; Y48-L111 HydrophobicContact CD1-CD2 3.83Å; Y48-L111 HydrophobicContact CG-CD1 4.14Å; Y48-L111 HydrophobicContact CG-CD2 4.21Å; L55-L111 HydrophobicContact CD1-CD2 3.95Å; L55-L111 HydrophobicContact CD2-CD2 3.88Å; L55-L111 HydrophobicContact CG-CD2 4.46Å; L102-L111 HydrophobicContact CD1-CD1 3.85Å; L102-L111 HydrophobicContact CD1-CD2 3.99Å; L102-L111 HydrophobicContact CD1-CG 4.03Å; L102-L111 HydrophobicContact CG-CD1 4.25Å; I104-L111 HydrophobicContact CG1-CD1 3.93Å; L111-V124 WeakPolarHBondContact O-CA 3.2Å; L111-R125 PolarHBondContact N-O 2.97Å; L111-R125 PolarHBondContact O-N 3.05Å; L111-L127 HydrophobicContact CB-CD2 3.95Å; L111-L127 HydrophobicContact CD1-CD2 4.49Å; L111-L130 HydrophobicContact CB-CD2 4.45Å; L111-L130 HydrophobicContact CD2-CD2 3.74Å |
| 112 | I | 93.4 | Very high | 90.5 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.015 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 120.3 | 172.5 | -58 | 172.5 | 0 | 0 | 0 | 107.2 | L102 L103 T123 V124 L193 F199 | L102-I112 WeakPolarHBondContact CA-O 3.22Å; L103-I112 PolarHBondContact N-O 2.97Å; L103-I112 PolarHBondContact O-N 2.94Å; I112-T123 WeakPolarHBondContact CA-O 3.42Å; I112-V124 HydrophobicContact CG1-CG2 4.35Å; I112-L193 HydrophobicContact CD1-CD1 4.08Å; I112-L193 HydrophobicContact CD1-CD2 3.9Å; I112-F199 HydrophobicContact CG2-CE1 3.88Å; I112-F199 HydrophobicContact CG2-CZ 3.98Å |
| 113 | A | 93.7 | Very high | 90.2 | Very high | 10 Ų | 10 | 27.3 Ų | 27.3 | 8% | 0.083 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 120.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | I101 L102 T123 | I101-A113 WeakPolarHBondContact O-CA 3.37Å; L102-A113 HydrophobicContact CD1-CB 4.08Å; A113-T123 PolarHBondContact N-O 3.34Å; A113-T123 PolarHBondContact O-N 3.41Å; A113-T123 PolarHBondContact O-OG1 3.46Å; A113-T123 VanDerWaalsContact O-OG1 3.11Å |
| 114 | C | 93.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.007 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 138.5 | -180 | -38.8 | 0 | 0 | 0 | 0 | 110.6 | N99 Q100 I101 C122 A145 | N99-C114 PolarHBondContact ND2-O 3.06Å; N99-C114 VanDerWaalsContact ND2-O 3.09Å; Q100-C114 PolarHBondContact N-O 3.16Å; I101-C114 HydrophobicContact CB-CB 3.84Å; I101-C114 HydrophobicContact CD1-CB 4.12Å; I101-C114 HydrophobicContact CG1-CB 4.22Å; I101-C114 PolarHBondContact N-O 2.95Å; I101-C114 PolarHBondContact O-N 2.78Å; C114-C122 HydrophobicContact CB-CB 3.95Å; C114-C122 WeakPolarHBondContact CB-SG 3.38Å; C114-C122 WeakPolarHBondContact SG-CB 3.37Å; C114-C122 CovalentContact SG-SG 2.02Å; C114-C122 PolarHBondContact SG-SG 3.41Å; C114-A145 HydrophobicContact CB-CB 4.09Å |
| 115 | G | 91.6 | Very high | 90 | Very high | 8 Ų | 8 | 26.3 Ų | 26.3 | 8% | 0.082 | 15% | 0.145 | C | C | . | . | trans | -110.2 | -168.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | N97 Y98 G120 V121 | N97-G115 WeakPolarHBondContact OD1-CA 3.16Å; Y98-G115 CarbonylContact O-C 3.57Å; Y98-G115 WeakPolarHBondContact O-CA 3.3Å; G115-G120 VanDerWaalsContact O-CA 3.25Å; G115-G120 WeakPolarHBondContact O-CA 3.37Å; G115-V121 PolarHBondContact N-O 2.89Å | ||
| 116 | T | 92.2 | Very high | 90 | Very high | 7 Ų | 7 | 30.9 Ų | 30.9 | 4% | 0.043 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -93 | -26.8 | 168 | 48 | 0 | 0 | 0 | 0 | 112.7 | D96 N97 Y98 Q100 G120 N147 | D96-T116 PolarHBondContact O-OG1 3.22Å; N97-T116 PolarHBondContact OD1-N 3.37Å; Y98-T116 PolarHBondContact N-OG1 3.11Å; Y98-T116 PolarHBondContact O-N 3.29Å; Y98-T116 VanDerWaalsContact O-N 3.12Å; Q100-T116 HydrophobicContact CG-CG2 4.01Å; T116-G120 PolarHBondContact O-N 2.85Å; T116-N147 WeakPolarHBondContact O-CA 3.48Å |
| 117 | L | 90.3 | Very high | 90.5 | Very high | 6 Ų | 6 | 26.6 Ų | 26.6 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -61.1 | 152.5 | 179.3 | -73.5 | -178.3 | 0 | 0 | 0 | 112.4 | D73 D75 T95 N97 Q119 G120 V121 | D73-L117 HydrophobicContact CB-CD1 3.65Å; D75-L117 HydrophobicContact CB-CD2 3.65Å; D75-L117 WeakPolarHBondContact OD2-CA 3.29Å; T95-L117 HydrophobicContact CG2-CD2 3.87Å; N97-L117 HydrophobicContact CB-CB 4.47Å; N97-L117 HydrophobicContact CB-CD1 3.53Å; N97-L117 HydrophobicContact CB-CG 3.64Å; N97-L117 PolarHBondContact OD1-N 3.03Å; L117-Q119 VanDerWaalsContact C-N 3.34Å; L117-Q119 PolarHBondContact O-N 3.17Å; L117-G120 PolarHBondContact O-N 3.37Å; L117-V121 PolarHBondContact O-N 3.36Å |
| 118 | F | 88.5 | Confident | 90.8 | Very high | 59 Ų | 59 | 28.1 Ų | 28.1 | 26% | 0.259 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 48.8 | 174.5 | -53.5 | -65 | 0 | 0 | 0 | 111.9 | D73 D75 Y81 G120 V121 | D73-F118 HydrophobicContact CB-CZ 4.33Å; D75-F118 PolarHBondContact OD2-N 3.44Å; Y81-F118 WeakPolarHBondContact CA-O 3.41Å; Y81-F118 WeakPolarHBondContact O-CB 3.06Å; F118-G120 PolarHBondContact O-N 3.32Å; F118-V121 HydrophobicContact CB-CG2 4.44Å; F118-V121 WeakPolarHBondContact O-CG2 3.33Å |
| 119 | Q | 87.3 | Confident | 90.9 | Very high | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.019 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 19.9 | -177.5 | -57.5 | -61.7 | -30.5 | 0 | 0 | 115.1 | P77 C79 L117 P143 N147 R182 | P77-Q119 PolarHBondContact O-NE2 3.23Å; C79-Q119 WeakPolarHBondContact O-CG 3.29Å; C79-Q119 PolarHBondContact O-NE2 2.71Å; L117-Q119 VanDerWaalsContact C-N 3.34Å; L117-Q119 PolarHBondContact O-N 3.17Å; Q119-P143 HydrophobicContact CB-CB 4.08Å; Q119-P143 WeakPolarHBondContact O-CB 3.36Å; Q119-N147 PolarHBondContact OE1-ND2 2.82Å; Q119-R182 PolarHBondContact O-NH1 2.88Å |
| 120 | G | 89.9 | Confident | 90.9 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | 42.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | G115 T116 L117 F118 V144 A145 | G115-G120 VanDerWaalsContact O-CA 3.25Å; G115-G120 WeakPolarHBondContact O-CA 3.37Å; T116-G120 PolarHBondContact O-N 2.85Å; L117-G120 PolarHBondContact O-N 3.37Å; F118-G120 PolarHBondContact O-N 3.32Å; G120-V144 PolarHBondContact O-N 2.87Å; G120-A145 PolarHBondContact O-N 3.34Å |
| 121 | V | 90 | Very high | 90.6 | Very high | 21 Ų | 21 | 26.8 Ų | 26.8 | 13% | 0.127 | 14% | 0.14 | C | C | . | . | B | Isolated β-bridge | trans | -74.7 | 150.1 | 178.2 | 169.1 | 0 | 0 | 0 | 0 | 111.6 | G115 L117 F118 A141 | G115-V121 PolarHBondContact N-O 2.89Å; L117-V121 PolarHBondContact O-N 3.36Å; F118-V121 HydrophobicContact CB-CG2 4.44Å; F118-V121 WeakPolarHBondContact O-CG2 3.33Å; V121-A141 HydrophobicContact CG1-CB 3.96Å; V121-A141 HydrophobicContact CG2-CB 3.92Å |
| 122 | C | 91 | Very high | 90.3 | Very high | 8 Ų | 8 | 32.5 Ų | 32.5 | 5% | 0.054 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 149.5 | 178.9 | -62.3 | 0 | 0 | 0 | 0 | 112.9 | C114 V144 F199 | C114-C122 HydrophobicContact CB-CB 3.95Å; C114-C122 WeakPolarHBondContact CB-SG 3.38Å; C114-C122 WeakPolarHBondContact SG-CB 3.37Å; C114-C122 CovalentContact SG-SG 2.02Å; C114-C122 PolarHBondContact SG-SG 3.41Å; C122-V144 WeakPolarHBondContact SG-CB 3.33Å; C122-V144 VanDerWaalsContact SG-CG2 3.54Å; C122-F199 HydrophobicContact CB-CD1 4.49Å; C122-F199 HydrophobicContact CB-CD2 4.13Å; C122-F199 HydrophobicContact CB-CE1 4Å; C122-F199 HydrophobicContact CB-CE2 3.58Å; C122-F199 HydrophobicContact CB-CZ 3.51Å |
| 123 | T | 89.9 | Confident | 89.8 | Confident | 40 Ų | 40 | 36.3 Ų | 36.3 | 25% | 0.245 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 146.1 | 169.6 | 61.3 | 0 | 0 | 0 | 0 | 110.5 | I112 A113 L133 | I112-T123 WeakPolarHBondContact CA-O 3.42Å; A113-T123 PolarHBondContact N-O 3.34Å; A113-T123 PolarHBondContact O-N 3.41Å; A113-T123 PolarHBondContact O-OG1 3.46Å; A113-T123 VanDerWaalsContact O-OG1 3.11Å; T123-L133 HydrophobicContact CG2-CD2 4.43Å |
| 124 | V | 90.9 | Very high | 89.1 | Confident | 10 Ų | 10 | 38.4 Ų | 38.4 | 6% | 0.061 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 116.9 | 175.2 | -176.3 | 0 | 0 | 0 | 0 | 109.2 | V110 L111 I112 L133 E134 L198 F199 | V110-V124 HydrophobicContact CB-CG1 3.8Å; V110-V124 HydrophobicContact CG1-CG1 4.35Å; V110-V124 HydrophobicContact CG2-CG1 3.63Å; L111-V124 WeakPolarHBondContact O-CA 3.2Å; I112-V124 HydrophobicContact CG1-CG2 4.35Å; V124-L133 WeakPolarHBondContact O-CA 3.11Å; V124-E134 HydrophobicContact CG1-CB 4.24Å; V124-E134 PolarHBondContact O-N 2.91Å; V124-L198 HydrophobicContact CG2-CD2 3.97Å; V124-F199 HydrophobicContact CG2-CE2 3.99Å; V124-F199 HydrophobicContact CG2-CZ 3.57Å |
| 125 | R | 91.3 | Very high | 87.9 | Confident | 30 Ų | 30 | 40.9 Ų | 40.9 | 11% | 0.113 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 144.8 | -173.3 | -66.6 | 172 | -179.4 | -88.1 | -0 | 110.6 | V110 L111 L130 K132 L133 | V110-R125 CarbonylContact C-O 3.26Å; V110-R125 VanDerWaalsContact CA-O 3.3Å; V110-R125 WeakPolarHBondContact CA-O 3.35Å; V110-R125 WeakPolarHBondContact CB-O 3.47Å; L111-R125 PolarHBondContact N-O 2.97Å; L111-R125 PolarHBondContact O-N 3.05Å; R125-L130 HydrophobicContact CB-CD2 4.27Å; R125-L130 WeakPolarHBondContact CD-O 3.03Å; R125-L130 PolarHBondContact NH1-O 3.3Å; R125-K132 WeakPolarHBondContact CA-O 3.33Å; R125-L133 HydrophobicContact CG-CD2 3.77Å |
| 126 | K | 91.4 | Very high | 86.3 | Confident | 101 Ų | 101 | 45.8 Ų | 45.8 | 44% | 0.439 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 136.1 | 174.5 | -67.1 | -172.4 | 176.3 | -175.4 | 0 | 110.7 | D128 D129 K132 | K126-D128 PolarHBondContact O-N 2.9Å; K126-D129 CarbonylContact O-C 3.36Å; K126-D129 VanDerWaalsContact O-C 3.26Å; K126-D129 PolarHBondContact O-N 3.09Å; K126-K132 HydrophobicContact CB-CB 4.49Å; K126-K132 HydrophobicContact CD-CB 4.23Å; K126-K132 HydrophobicContact CG-CB 4.41Å; K126-K132 PolarHBondContact N-O 3.44Å |
| 127 | L | 91 | Very high | 84.5 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -32.7 | 179.9 | -74 | 173.3 | 0 | 0 | 0 | 113 | Y48 I104 R109 L111 | Y48-L127 HydrophobicContact CD2-CD2 4.31Å; Y48-L127 HydrophobicContact CE1-CD2 4Å; Y48-L127 HydrophobicContact CE2-CD2 3.65Å; Y48-L127 VanDerWaalsContact CZ-CD2 3.46Å; Y48-L127 WeakPolarHBondContact OH-CB 3.29Å; Y48-L127 PolarHBondContact OH-O 3.16Å; I104-L127 HydrophobicContact CD1-CD2 4.32Å; I104-L127 HydrophobicContact CG1-CD2 4.13Å; I104-L127 HydrophobicContact CG2-CD1 3.82Å; I104-L127 HydrophobicContact CG2-CD2 4.28Å; R109-L127 VanDerWaalsContact C-CG 3.47Å; R109-L127 HydrophobicContact CB-CD1 3.92Å; R109-L127 WeakPolarHBondContact O-CB 3.36Å; R109-L127 VanDerWaalsContact O-CG 3.23Å; R109-L127 WeakPolarHBondContact O-CG 3.46Å; R109-L127 PolarHBondContact O-N 3.46Å; R109-L127 VanDerWaalsContact O-N 3.15Å; L111-L127 HydrophobicContact CB-CD2 3.95Å; L111-L127 HydrophobicContact CD1-CD2 4.49Å |
| 128 | D | 87.7 | Confident | 82.9 | Confident | 107 Ų | 107 | 53.5 Ų | 53.5 | 57% | 0.572 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -24.4 | -176.8 | -58.7 | -33 | 0 | 0 | 0 | 113.3 | R57 K126 | R57-D128 VanDerWaalsContact NH1-C 3.28Å; R57-D128 PolarHBondContact NH1-O 3.08Å; K126-D128 PolarHBondContact O-N 2.9Å |
| 129 | D | 89.1 | Confident | 81.3 | Confident | 37 Ų | 37 | 59.3 Ų | 59.3 | 20% | 0.198 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 102.3 | 177.2 | -178 | 12.6 | 0 | 0 | 0 | 110 | Q66 K126 N131 K132 | Q66-D129 PolarHBondContact NE2-OD1 3.45Å; K126-D129 CarbonylContact O-C 3.36Å; K126-D129 VanDerWaalsContact O-C 3.26Å; K126-D129 PolarHBondContact O-N 3.09Å; D129-N131 PolarHBondContact O-N 2.81Å; D129-N131 VanDerWaalsContact O-N 3.11Å; D129-N131 PolarHBondContact OD1-N 2.94Å; D129-K132 HydrophobicContact CB-CD 4.24Å; D129-K132 HydrophobicContact CB-CG 4.43Å; D129-K132 PolarHBondContact O-N 3.48Å; D129-K132 WeakPolarHBondContact OD2-CE 3.15Å; D129-K132 IonicContact OD2-NZ 3.73Å |
| 130 | L | 89.7 | Confident | 80 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | -14.6 | -174.8 | -65.1 | -177.1 | 0 | 0 | 0 | 113.4 | Y48 L55 R57 I68 L111 R125 K132 | Y48-L130 HydrophobicContact CD1-CD1 4.11Å; Y48-L130 HydrophobicContact CD1-CD2 3.99Å; Y48-L130 HydrophobicContact CD1-CG 4.48Å; Y48-L130 HydrophobicContact CE1-CD1 4.32Å; Y48-L130 HydrophobicContact CE1-CD2 3.79Å; Y48-L130 HydrophobicContact CE1-CG 4.27Å; L55-L130 HydrophobicContact CD2-CD1 3.98Å; L55-L130 HydrophobicContact CD2-CD2 4.5Å; L55-L130 HydrophobicContact CG-CD1 4.03Å; R57-L130 HydrophobicContact CB-CD1 3.79Å; R57-L130 HydrophobicContact CB-CG 4.49Å; I68-L130 HydrophobicContact CD1-CB 3.96Å; I68-L130 HydrophobicContact CG1-CB 3.62Å; I68-L130 HydrophobicContact CG1-CD1 4.16Å; L111-L130 HydrophobicContact CB-CD2 4.45Å; L111-L130 HydrophobicContact CD2-CD2 3.74Å; R125-L130 HydrophobicContact CB-CD2 4.27Å; R125-L130 WeakPolarHBondContact CD-O 3.03Å; R125-L130 PolarHBondContact NH1-O 3.3Å; L130-K132 VanDerWaalsContact C-N 3.28Å |
| 131 | N | 87.5 | Confident | 79.1 | Confident | 109 Ų | 109 | 64.7 Ų | 64.7 | 58% | 0.583 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | -24.3 | 173.3 | -73.2 | -47.4 | 0 | 0 | 0 | 112.7 | I68 D129 L133 | I68-N131 WeakPolarHBondContact CD1-OD1 3.45Å; D129-N131 PolarHBondContact O-N 2.81Å; D129-N131 VanDerWaalsContact O-N 3.11Å; D129-N131 PolarHBondContact OD1-N 2.94Å; N131-L133 PolarHBondContact O-N 3.49Å |
| 132 | K | 87 | Confident | 78.9 | Confident | 120 Ų | 120 | 65.4 Ų | 65.4 | 52% | 0.522 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 105.3 | -177.5 | -68.4 | 177.2 | -176.1 | 170 | 0 | 110.6 | R125 K126 D129 L130 | R125-K132 WeakPolarHBondContact CA-O 3.33Å; K126-K132 HydrophobicContact CB-CB 4.49Å; K126-K132 HydrophobicContact CD-CB 4.23Å; K126-K132 HydrophobicContact CG-CB 4.41Å; K126-K132 PolarHBondContact N-O 3.44Å; D129-K132 HydrophobicContact CB-CD 4.24Å; D129-K132 HydrophobicContact CB-CG 4.43Å; D129-K132 PolarHBondContact O-N 3.48Å; D129-K132 WeakPolarHBondContact OD2-CE 3.15Å; D129-K132 IonicContact OD2-NZ 3.73Å; L130-K132 VanDerWaalsContact C-N 3.28Å |
| 133 | L | 83.3 | Confident | 78.8 | Confident | 83 Ų | 83 | 66.3 Ų | 66.3 | 44% | 0.435 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 132.5 | 166.5 | -68 | 168.3 | 0 | 0 | 0 | 109.5 | T123 V124 R125 N131 | T123-L133 HydrophobicContact CG2-CD2 4.43Å; V124-L133 WeakPolarHBondContact O-CA 3.11Å; R125-L133 HydrophobicContact CG-CD2 3.77Å; N131-L133 PolarHBondContact O-N 3.49Å |
| 134 | E | 77.8 | Confident | 78.9 | Confident | 54 Ų | 54 | 64.4 Ų | 64.4 | 25% | 0.252 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -84.2 | -24.9 | 171.2 | -164.5 | -175.6 | 172.9 | 0 | 0 | 111.4 | V110 V124 R195 | V110-E134 WeakPolarHBondContact CG1-OE2 3.27Å; V124-E134 HydrophobicContact CG1-CB 4.24Å; V124-E134 PolarHBondContact O-N 2.91Å; E134-R195 IonicContact OE1-CZ 2.83Å; E134-R195 IonicContact OE1-NE 2.93Å; E134-R195 PolarHBondContact OE1-NE 2.75Å; E134-R195 IonicContact OE1-NH2 3.86Å; E134-R195 PolarHBondContact OE1-NH2 2.79Å |
| 135 | Y | 69.2 | Low | 78.9 | Confident | 52 Ų | 52 | 64 Ų | 64 | 20% | 0.204 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -135.5 | 131.3 | -176.7 | -163.5 | -100.6 | 0 | 0 | 0 | 110.4 | H140 L198 | Y135-H140 HydrophobicContact CE1-CB 3.92Å; Y135-H140 AromaticContact CZ-CD2 3.95Å; Y135-H140 WeakPolarHBondContact OH-CB 3.27Å; Y135-H140 PolarHBondContact OH-CD2 3.23Å; Y135-H140 VanDerWaalsContact OH-CG 3.22Å; Y135-L198 HydrophobicContact CD1-CD2 3.56Å; Y135-L198 HydrophobicContact CD2-CD2 3.96Å; Y135-L198 HydrophobicContact CE1-CB 4.38Å; Y135-L198 HydrophobicContact CE1-CD2 3.95Å; Y135-L198 HydrophobicContact CE2-CB 4.4Å; Y135-L198 HydrophobicContact CE2-CD2 4.32Å; Y135-L198 HydrophobicContact CG-CD2 3.53Å |
| 136 | D | 56.3 | Low | 78.9 | Confident | 112 Ų | 112 | 62.5 Ų | 62.5 | 60% | 0.599 | 32% | 0.315 | S | S | * | . | trans | -88 | 126.2 | -177.8 | -163.7 | -4 | 0 | 0 | 0 | 110.2 | D138 | D136-D138 VanDerWaalsContact C-N 3.33Å; D136-D138 PolarHBondContact O-N 2.8Å | ||
| 137 | A | 55.1 | Low | 78.9 | Confident | 31 Ų | 31 | 58.5 Ų | 58.5 | 26% | 0.256 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -68.3 | -31.2 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | K139 H140 A141 | A137-K139 PolarHBondContact O-N 2.84Å; A137-H140 PolarHBondContact O-N 2.84Å; A137-A141 WeakPolarHBondContact O-CA 3.47Å; A137-A141 WeakPolarHBondContact O-CB 3.4Å; A137-A141 PolarHBondContact O-N 2.76Å |
| 138 | D | 56.6 | Low | 78.8 | Confident | 143 Ų | 143 | 61.5 Ų | 61.5 | 77% | 0.765 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -70.2 | -23.7 | -162.3 | -71.6 | -10.9 | 0 | 0 | 0 | 115.2 | D136 | D136-D138 VanDerWaalsContact C-N 3.33Å; D136-D138 PolarHBondContact O-N 2.8Å |
| 139 | K | 54.6 | Low | 78.7 | Confident | 182 Ų | 182 | 58.5 Ų | 58.5 | 79% | 0.791 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -92.8 | -21.3 | -177.9 | -75.7 | -176.6 | 178.4 | 176.4 | 0 | 114.6 | A137 | A137-K139 PolarHBondContact O-N 2.84Š|
| 140 | H | 60.4 | Low | 78.6 | Confident | 102 Ų | 102 | 63.7 Ų | 63.7 | 47% | 0.472 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -150.7 | 29.5 | -168.1 | -60.5 | -58.2 | 0 | 0 | 0 | 112.6 | Y135 A137 V142 | Y135-H140 HydrophobicContact CE1-CB 3.92Å; Y135-H140 AromaticContact CZ-CD2 3.95Å; Y135-H140 WeakPolarHBondContact OH-CB 3.27Å; Y135-H140 PolarHBondContact OH-CD2 3.23Å; Y135-H140 VanDerWaalsContact OH-CG 3.22Å; A137-H140 PolarHBondContact O-N 2.84Å; H140-V142 PolarHBondContact O-N 2.78Å |
| 141 | A | 71.6 | Confident | 78.5 | Confident | 14 Ų | 14 | 64.5 Ų | 64.5 | 12% | 0.116 | 33% | 0.332 | C | S | . | . | trans | -59.1 | 127.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y81 V121 A137 | Y81-A141 HydrophobicContact CD2-CB 3.61Å; Y81-A141 VanDerWaalsContact CD2-O 3.24Å; Y81-A141 WeakPolarHBondContact CD2-O 3.45Å; Y81-A141 HydrophobicContact CE2-CB 4.12Å; Y81-A141 WeakPolarHBondContact CE2-O 3.48Å; V121-A141 HydrophobicContact CG1-CB 3.96Å; V121-A141 HydrophobicContact CG2-CB 3.92Å; A137-A141 WeakPolarHBondContact O-CA 3.47Å; A137-A141 WeakPolarHBondContact O-CB 3.4Å; A137-A141 PolarHBondContact O-N 2.76Å | ||
| 142 | V | 85 | Confident | 78.6 | Confident | 36 Ų | 36 | 60.4 Ų | 60.4 | 22% | 0.218 | 31% | 0.312 | C | S | . | . | trans | -123.8 | 131.4 | 175.1 | -173.1 | 0 | 0 | 0 | 0 | 107.4 | H140 V144 F199 Q200 | H140-V142 PolarHBondContact O-N 2.78Å; V142-V144 WeakPolarHBondContact O-CG2 3.48Å; V142-V144 PolarHBondContact O-N 2.86Å; V142-F199 HydrophobicContact CB-CB 4.4Å; V142-Q200 HydrophobicContact CG2-CG 4.45Å | ||
| 143 | P | 88.8 | Confident | 79 | Confident | 28 Ų | 28 | 55.3 Ų | 55.3 | 18% | 0.182 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -66.8 | 125.8 | 173.2 | 26.8 | -33.3 | 0 | 0 | 0 | 109.8 | Q119 F185 R191 | Q119-P143 HydrophobicContact CB-CB 4.08Å; Q119-P143 WeakPolarHBondContact O-CB 3.36Å; P143-F185 HydrophobicContact CB-CD2 4.38Å; P143-F185 HydrophobicContact CB-CE2 4.28Å; P143-R191 PolarHBondContact O-NH1 2.94Å; P143-R191 VanDerWaalsContact O-NH1 3.15Å; P143-R191 PolarHBondContact O-NH2 2.84Å |
| 144 | V | 91.5 | Very high | 79.4 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -121 | -42.5 | -177.1 | -178.7 | 0 | 0 | 0 | 0 | 111.9 | I101 G120 C122 V142 L170 V172 F185 F199 | I101-V144 HydrophobicContact CD1-CG1 3.93Å; G120-V144 PolarHBondContact O-N 2.87Å; C122-V144 WeakPolarHBondContact SG-CB 3.33Å; C122-V144 VanDerWaalsContact SG-CG2 3.54Å; V142-V144 WeakPolarHBondContact O-CG2 3.48Å; V142-V144 PolarHBondContact O-N 2.86Å; V144-L170 HydrophobicContact CG1-CD2 4.4Å; V144-V172 HydrophobicContact CG1-CG1 4.12Å; V144-V172 HydrophobicContact CG1-CG2 3.94Å; V144-F185 WeakPolarHBondContact O-CZ 3.3Å; V144-F199 HydrophobicContact CG2-CB 3.8Å; V144-F199 HydrophobicContact CG2-CD1 4.31Å; V144-F199 HydrophobicContact CG2-CG 4.07Å | ||
| 145 | A | 92.7 | Very high | 80.2 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -98.9 | 168.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q100 I101 C114 G120 T153 R182 | Q100-A145 HydrophobicContact CB-CB 3.64Å; Q100-A145 HydrophobicContact CG-CB 4.18Å; I101-A145 HydrophobicContact CD1-CB 4.32Å; C114-A145 HydrophobicContact CB-CB 4.09Å; G120-A145 PolarHBondContact O-N 3.34Å; A145-T153 HydrophobicContact CB-CG2 4.16Å; A145-R182 PolarHBondContact O-NH2 2.95Å |
| 146 | A | 91.3 | Very high | 81.5 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -64.5 | 138.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | E148 T153 | A146-E148 VanDerWaalsContact C-N 3.33Å; A146-T153 PolarHBondContact N-OG1 3.49Å | ||
| 147 | N | 90.1 | Very high | 83.2 | Confident | 16 Ų | 16 | 44.9 Ų | 44.9 | 9% | 0.086 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -88.1 | 4.1 | -178 | 70.1 | -14 | 0 | 0 | 0 | 113.6 | T116 Q119 T177 | T116-N147 WeakPolarHBondContact O-CA 3.48Å; Q119-N147 PolarHBondContact OE1-ND2 2.82Å; N147-T177 WeakPolarHBondContact OD1-CB 3.43Å; N147-T177 PolarHBondContact OD1-OG1 2.79Å |
| 148 | E | 88.5 | Confident | 84.9 | Confident | 66 Ų | 66 | 43.4 Ų | 43.4 | 31% | 0.308 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -119 | 144.6 | 179.4 | -73 | -179.7 | -163.8 | 0 | 0 | 111.8 | Q100 A146 N150 S151 T177 | Q100-E148 PolarHBondContact NE2-O 3.08Å; A146-E148 VanDerWaalsContact C-N 3.33Å; E148-N150 VanDerWaalsContact C-N 3.31Å; E148-N150 PolarHBondContact O-N 2.98Å; E148-S151 PolarHBondContact O-N 3.41Å; E148-T177 HydrophobicContact CB-CG2 3.98Å; E148-T177 HydrophobicContact CG-CG2 3.89Å |
| 149 | P | 87.6 | Confident | 86.4 | Confident | 43 Ų | 43 | 36.9 Ų | 36.9 | 28% | 0.279 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -19.2 | -175 | 27.7 | -36 | 0 | 0 | 0 | 115.4 | R36 Y98 | R36-P149 PolarHBondContact NH1-O 2.9Å; R36-P149 PolarHBondContact NH2-O 3.39Å; R36-P149 VanDerWaalsContact NH2-O 3.11Å; Y98-P149 HydrophobicContact CD1-CB 4.09Å; Y98-P149 HydrophobicContact CD2-CB 3.61Å; Y98-P149 HydrophobicContact CD2-CG 4.36Å; Y98-P149 HydrophobicContact CE1-CB 4.26Å; Y98-P149 HydrophobicContact CE2-CB 3.79Å; Y98-P149 HydrophobicContact CE2-CG 4.25Å; Y98-P149 HydrophobicContact CG-CB 3.74Å |
| 150 | N | 85 | Confident | 87.5 | Confident | 146 Ų | 146 | 28.6 Ų | 28.6 | 78% | 0.781 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -9.3 | 179 | -65.8 | -21.8 | 0 | 0 | 0 | 112.5 | E148 | E148-N150 VanDerWaalsContact C-N 3.31Å; E148-N150 PolarHBondContact O-N 2.98Å |
| 151 | S | 87.8 | Confident | 88.3 | Confident | 17 Ų | 17 | 25.6 Ų | 25.6 | 12% | 0.119 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -86.4 | 146.3 | 176.1 | -69.6 | 0 | 0 | 0 | 0 | 110 | Q100 E148 T177 | Q100-S151 PolarHBondContact NE2-O 3.11Å; Q100-S151 VanDerWaalsContact NE2-O 3.16Å; Q100-S151 PolarHBondContact OE1-O 3.31Å; E148-S151 PolarHBondContact O-N 3.41Å; S151-T177 VanDerWaalsContact OG-CG2 3.24Å; S151-T177 WeakPolarHBondContact OG-CG2 3.21Å |
| 152 | S | 90.9 | Very high | 88.6 | Confident | 23 Ų | 23 | 31.9 Ų | 31.9 | 16% | 0.161 | 18% | 0.182 | C | C | . | . | trans | -101 | 142.8 | -173.1 | 58.4 | 0 | 0 | 0 | 0 | 112 | S175 H226 Y227 | S152-S175 PolarHBondContact N-OG 2.98Å; S152-S175 PolarHBondContact O-N 3.27Å; S152-S175 PolarHBondContact O-OG 3.38Å; S152-S175 VanDerWaalsContact O-OG 3.14Å; S152-S175 PolarHBondContact OG-OG 2.84Å; S152-H226 VanDerWaalsContact OG-CA 3.27Å; S152-H226 WeakPolarHBondContact OG-CA 3.37Å; S152-Y227 WeakPolarHBondContact CB-O 3.46Å; S152-Y227 PolarHBondContact OG-N 2.81Å | ||
| 153 | T | 94 | Very high | 88 | Confident | 13 Ų | 13 | 32.4 Ų | 32.4 | 8% | 0.08 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 131.3 | 171.3 | -52.6 | 0 | 0 | 0 | 0 | 108.5 | Q100 I101 A145 A146 V172 G173 A174 | Q100-T153 PolarHBondContact OE1-OG1 2.95Å; Q100-T153 VanDerWaalsContact OE1-OG1 3.09Å; I101-T153 HydrophobicContact CD1-CG2 3.68Å; I101-T153 HydrophobicContact CG1-CG2 3.64Å; A145-T153 HydrophobicContact CB-CG2 4.16Å; A146-T153 PolarHBondContact N-OG1 3.49Å; T153-V172 HydrophobicContact CG2-CG1 4.22Å; T153-G173 CarbonylContact C-O 3.56Å; T153-G173 WeakPolarHBondContact CA-O 3.02Å; T153-A174 HydrophobicContact CG2-CB 4.13Å |
| 154 | A | 93.6 | Very high | 87.3 | Confident | 5 Ų | 5 | 35.9 Ų | 35.9 | 4% | 0.041 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 128.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109 | V172 G173 | A154-V172 CarbonylContact O-C 3.5Å; A154-V172 WeakPolarHBondContact O-CA 3.24Å; A154-G173 PolarHBondContact N-O 3.18Å; A154-G173 PolarHBondContact O-N 3.25Å |
| 155 | A | 94.7 | Very high | 86.7 | Confident | 21 Ų | 21 | 42 Ų | 42 | 17% | 0.174 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 141.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I101 L103 L170 Y171 V172 | I101-A155 HydrophobicContact CD1-CB 3.62Å; I101-A155 HydrophobicContact CG1-CB 3.83Å; I101-A155 HydrophobicContact CG2-CB 3.94Å; L103-A155 HydrophobicContact CD1-CB 4.03Å; A155-L170 HydrophobicContact CB-CD1 4.17Å; A155-Y171 WeakPolarHBondContact CA-O 2.96Å; A155-V172 HydrophobicContact CB-CG2 4.22Å |
| 156 | F | 94.7 | Very high | 86 | Confident | 18 Ų | 18 | 45.6 Ų | 45.6 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 156.4 | 178.8 | 57.7 | -82.4 | 0 | 0 | 0 | 110.8 | Y171 G230 F231 V232 A237 Y238 W239 | F156-Y171 HydrophobicContact CD2-CD2 4.34Å; F156-Y171 AromaticContact CE2-CD2 3.98Å; F156-Y171 HydrophobicContact CE2-CD2 3.98Å; F156-Y171 AromaticContact CE2-CG 3.91Å; F156-Y171 HydrophobicContact CE2-CG 3.91Å; F156-Y171 HydrophobicContact CZ-CG 4.05Å; F156-Y171 PolarHBondContact N-O 3.2Å; F156-Y171 VanDerWaalsContact N-O 3.09Å; F156-Y171 PolarHBondContact O-N 3.33Å; F156-G230 VanDerWaalsContact CD1-C 3.43Å; F156-G230 VanDerWaalsContact CD1-CA 3.47Å; F156-G230 VanDerWaalsContact CE1-CA 3.44Å; F156-F231 WeakPolarHBondContact CE2-O 3.34Å; F156-V232 HydrophobicContact CD2-CG2 3.97Å; F156-V232 HydrophobicContact CE2-CG2 3.72Å; F156-A237 HydrophobicContact CE2-CB 3.96Å; F156-A237 HydrophobicContact CZ-CB 4.05Å; F156-Y238 WeakPolarHBondContact CE1-O 3.37Å; F156-Y238 WeakPolarHBondContact CZ-O 3.44Å; F156-W239 AromaticContact CE1-CD1 3.84Å; F156-W239 HydrophobicContact CE1-CD2 4.25Å; F156-W239 AromaticContact CE1-CE2 3.96Å; F156-W239 HydrophobicContact CE1-CG 4.2Å; F156-W239 AromaticContact CE1-NE1 3.65Å; F156-W239 HydrophobicContact CZ-CD2 4.34Å; F156-W239 HydrophobicContact CZ-CZ2 4.45Å |
| 157 | L | 93.3 | Very high | 85.5 | Confident | 38 Ų | 38 | 47.7 Ų | 47.7 | 20% | 0.199 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 132.7 | 177.6 | -61.8 | -177.5 | 0 | 0 | 0 | 110.1 | I104 L170 L193 | I104-L157 WeakPolarHBondContact O-CD1 3.37Å; L157-L170 HydrophobicContact CD2-CB 4.37Å; L157-L170 HydrophobicContact CD2-CD1 3.82Å; L157-L193 HydrophobicContact CD2-CD1 3.44Å; L157-L193 VanDerWaalsContact CD2-CD1 3.44Å |
| 158 | G | 90.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 175.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P168 V169 | G158-P168 VanDerWaalsContact O-CA 3.26Å; G158-P168 WeakPolarHBondContact O-CA 3.48Å; G158-P168 WeakPolarHBondContact O-CB 3.05Å; G158-V169 PolarHBondContact N-O 3.17Å; G158-V169 PolarHBondContact O-N 2.7Å |
| 159 | P | 88 | Confident | 85.6 | Confident | 6 Ų | 6 | 44.5 Ų | 44.5 | 4% | 0.039 | 27% | 0.265 | C | S | . | . | trans | -62 | 153.1 | 175.7 | 27.8 | -32.6 | 0 | 0 | 0 | 110.3 | G163 F165 V232 T262 | P159-G163 WeakPolarHBondContact CB-O 3.42Å; P159-F165 HydrophobicContact CB-CD2 4.13Å; P159-F165 HydrophobicContact CB-CE1 4.47Å; P159-F165 HydrophobicContact CB-CE2 4.02Å; P159-F165 HydrophobicContact CB-CG 4.41Å; P159-F165 HydrophobicContact CB-CZ 4.21Å; P159-F165 HydrophobicContact CG-CE2 4.34Å; P159-F165 HydrophobicContact CG-CZ 4.24Å; P159-V232 HydrophobicContact CG-CG1 4.32Å; P159-T262 HydrophobicContact CG-CG2 3.81Å | ||
| 160 | G | 78.5 | Confident | 85.9 | Confident | 8 Ų | 8 | 42.4 Ų | 42.4 | 8% | 0.082 | 25% | 0.252 | C | S | . | . | trans | -64.8 | 176.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D162 G163 N164 D167 | G160-D162 PolarHBondContact O-N 2.81Å; G160-G163 PolarHBondContact O-N 3.4Å; G160-N164 PolarHBondContact N-O 3.48Å; G160-D167 WeakPolarHBondContact CA-O 3.33Å | ||
| 161 | L | 77.7 | Confident | 86.4 | Confident | 40 Ų | 40 | 35.6 Ų | 35.6 | 21% | 0.209 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -23.1 | 179.9 | -65.9 | 170.6 | 0 | 0 | 0 | 113.9 | G163 V202 K265 | L161-G163 VanDerWaalsContact C-N 3.25Å; L161-G163 PolarHBondContact O-N 2.77Å; L161-V202 HydrophobicContact CD1-CG1 3.29Å; L161-V202 HydrophobicContact CD2-CG1 4.19Å; L161-V202 HydrophobicContact CG-CG1 3.91Å; L161-K265 HydrophobicContact CD1-CD 3.62Å; L161-K265 HydrophobicContact CD1-CG 3.66Å; L161-K265 HydrophobicContact CD2-CB 4.48Å; L161-K265 HydrophobicContact CD2-CG 3.74Å; L161-K265 HydrophobicContact CG-CG 4.21Å |
| 162 | D | 76.9 | Confident | 86.7 | Confident | 145 Ų | 145 | 34.9 Ų | 34.9 | 78% | 0.775 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | 6.7 | 178.1 | -52.2 | -29.1 | 0 | 0 | 0 | 112.3 | G160 N164 | G160-D162 PolarHBondContact O-N 2.81Å; D162-N164 PolarHBondContact O-N 2.84Å |
| 163 | G | 71.7 | Confident | 86.9 | Confident | 47 Ų | 47 | 33.8 Ų | 33.8 | 49% | 0.485 | 20% | 0.202 | S | C | . | . | S | Bend | trans | 77.9 | -2.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | P159 G160 L161 | P159-G163 WeakPolarHBondContact CB-O 3.42Å; G160-G163 PolarHBondContact O-N 3.4Å; L161-G163 VanDerWaalsContact C-N 3.25Å; L161-G163 PolarHBondContact O-N 2.77Å |
| 164 | N | 75.5 | Confident | 86.9 | Confident | 102 Ų | 102 | 33.2 Ų | 33.2 | 55% | 0.545 | 20% | 0.199 | S | C | . | . | trans | -98.1 | 141.6 | -175.2 | -163.1 | -4.8 | 0 | 0 | 0 | 112.6 | G160 D162 A166 | G160-N164 PolarHBondContact N-O 3.48Å; D162-N164 PolarHBondContact O-N 2.84Å; N164-A166 VanDerWaalsContact C-N 3.29Å; N164-A166 PolarHBondContact O-N 3.13Å; N164-A166 PolarHBondContact OD1-N 3.07Å | ||
| 165 | F | 79 | Confident | 86.9 | Confident | 127 Ų | 127 | 33 Ų | 33 | 56% | 0.557 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -1.7 | 176.7 | -78.5 | -87.5 | 0 | 0 | 0 | 114.2 | P159 D167 | P159-F165 HydrophobicContact CB-CD2 4.13Å; P159-F165 HydrophobicContact CB-CE1 4.47Å; P159-F165 HydrophobicContact CB-CE2 4.02Å; P159-F165 HydrophobicContact CB-CG 4.41Å; P159-F165 HydrophobicContact CB-CZ 4.21Å; P159-F165 HydrophobicContact CG-CE2 4.34Å; P159-F165 HydrophobicContact CG-CZ 4.24Å; F165-D167 PolarHBondContact O-N 3.2Å |
| 166 | A | 77.1 | Confident | 86.5 | Confident | 77 Ų | 77 | 33.1 Ų | 33.1 | 64% | 0.636 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -33.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N164 | N164-A166 VanDerWaalsContact C-N 3.29Å; N164-A166 PolarHBondContact O-N 3.13Å; N164-A166 PolarHBondContact OD1-N 3.07Å |
| 167 | D | 80.2 | Confident | 86 | Confident | 44 Ų | 44 | 32.6 Ų | 32.6 | 24% | 0.235 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -132.4 | 81.3 | 177.1 | -171.1 | 30.6 | 0 | 0 | 0 | 109.4 | G160 F165 R194 | G160-D167 WeakPolarHBondContact CA-O 3.33Å; F165-D167 PolarHBondContact O-N 3.2Å; D167-R194 IonicContact OD2-CZ 2.99Å; D167-R194 IonicContact OD2-NE 2.72Å; D167-R194 PolarHBondContact OD2-NE 3.47Å; D167-R194 IonicContact OD2-NH2 2.66Å; D167-R194 PolarHBondContact OD2-NH2 3.29Å |
| 168 | P | 89.2 | Confident | 84.8 | Confident | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.032 | 22% | 0.217 | C | C | . | . | trans | -70.6 | 150.3 | -169.6 | 28.9 | -34.2 | 0 | 0 | 0 | 112.1 | H105 G158 L193 | H105-P168 VanDerWaalsContact CE1-CG 3.48Å; H105-P168 WeakPolarHBondContact CE1-CG 3.1Å; G158-P168 VanDerWaalsContact O-CA 3.26Å; G158-P168 WeakPolarHBondContact O-CA 3.48Å; G158-P168 WeakPolarHBondContact O-CB 3.05Å; P168-L193 HydrophobicContact CG-CD1 4.49Å | ||
| 169 | V | 91.5 | Very high | 83.6 | Confident | 9 Ų | 9 | 42.6 Ų | 42.6 | 6% | 0.055 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 140.4 | 176 | 168.1 | 0 | 0 | 0 | 0 | 109.3 | G158 Y171 V202 | G158-V169 PolarHBondContact N-O 3.17Å; G158-V169 PolarHBondContact O-N 2.7Å; V169-Y171 HydrophobicContact CB-CE2 4.01Å; V169-Y171 HydrophobicContact CG1-CD2 4.27Å; V169-Y171 HydrophobicContact CG1-CE1 4.43Å; V169-Y171 HydrophobicContact CG1-CE2 3.86Å; V169-V202 HydrophobicContact CG1-CG2 3.9Å; V169-V202 HydrophobicContact CG2-CG2 4.06Å |
| 170 | L | 94.2 | Very high | 82.6 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 111.7 | 174.6 | -178.8 | 70.1 | 0 | 0 | 0 | 109.2 | L103 V144 A155 L157 V172 R191 L193 F199 | L103-L170 HydrophobicContact CD1-CD1 3.57Å; V144-L170 HydrophobicContact CG1-CD2 4.4Å; A155-L170 HydrophobicContact CB-CD1 4.17Å; L157-L170 HydrophobicContact CD2-CB 4.37Å; L157-L170 HydrophobicContact CD2-CD1 3.82Å; L170-V172 HydrophobicContact CD1-CG2 4.46Å; L170-V172 HydrophobicContact CD2-CG2 3.76Å; L170-V172 HydrophobicContact CG-CG2 3.62Å; L170-R191 HydrophobicContact CB-CB 4.32Å; L170-R191 PolarHBondContact N-O 2.7Å; L170-R191 PolarHBondContact O-N 3.06Å; L170-L193 HydrophobicContact CB-CD1 4.22Å; L170-L193 HydrophobicContact CB-CD2 4Å; L170-L193 HydrophobicContact CB-CG 4.07Å; L170-L193 HydrophobicContact CD2-CD2 4.34Å; L170-F199 HydrophobicContact CD2-CD1 4.03Å; L170-F199 HydrophobicContact CD2-CE1 4.25Å |
| 171 | Y | 95 | Very high | 82.3 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 126 | 173.6 | -67.7 | -88 | 0 | 0 | 0 | 108.5 | A155 F156 V169 C189 S190 A237 W239 V260 T262 | A155-Y171 WeakPolarHBondContact CA-O 2.96Å; F156-Y171 HydrophobicContact CD2-CD2 4.34Å; F156-Y171 AromaticContact CE2-CD2 3.98Å; F156-Y171 HydrophobicContact CE2-CD2 3.98Å; F156-Y171 AromaticContact CE2-CG 3.91Å; F156-Y171 HydrophobicContact CE2-CG 3.91Å; F156-Y171 HydrophobicContact CZ-CG 4.05Å; F156-Y171 PolarHBondContact N-O 3.2Å; F156-Y171 VanDerWaalsContact N-O 3.09Å; F156-Y171 PolarHBondContact O-N 3.33Å; V169-Y171 HydrophobicContact CB-CE2 4.01Å; V169-Y171 HydrophobicContact CG1-CD2 4.27Å; V169-Y171 HydrophobicContact CG1-CE1 4.43Å; V169-Y171 HydrophobicContact CG1-CE2 3.86Å; Y171-C189 WeakPolarHBondContact CA-O 2.99Å; Y171-S190 WeakPolarHBondContact CD1-OG 3.22Å; Y171-S190 WeakPolarHBondContact CE1-OG 3.49Å; Y171-A237 HydrophobicContact CD1-CB 3.54Å; Y171-A237 HydrophobicContact CD2-CB 4.24Å; Y171-A237 HydrophobicContact CE1-CB 3.45Å; Y171-A237 VanDerWaalsContact CE1-CB 3.45Å; Y171-A237 HydrophobicContact CE2-CB 4.19Å; Y171-A237 HydrophobicContact CG-CB 3.93Å; Y171-W239 AromaticContact CD1-CH2 3.66Å; Y171-W239 HydrophobicContact CD1-CH2 3.66Å; Y171-W239 AromaticContact CD1-CZ2 3.73Å; Y171-W239 HydrophobicContact CD1-CZ2 3.73Å; Y171-W239 HydrophobicContact CE1-CH2 4.47Å; Y171-W239 HydrophobicContact CG-CH2 4.47Å; Y171-W239 HydrophobicContact CG-CZ2 4.17Å; Y171-V260 HydrophobicContact CE1-CG1 4.16Å; Y171-T262 WeakPolarHBondContact OH-CA 3.42Å |
| 172 | V | 96 | Very high | 82.4 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 128.7 | -174.1 | -173.3 | 0 | 0 | 0 | 0 | 109.9 | I101 V144 T153 A154 A155 L170 V188 C189 | I101-V172 HydrophobicContact CD1-CG1 4.47Å; V144-V172 HydrophobicContact CG1-CG1 4.12Å; V144-V172 HydrophobicContact CG1-CG2 3.94Å; T153-V172 HydrophobicContact CG2-CG1 4.22Å; A154-V172 CarbonylContact O-C 3.5Å; A154-V172 WeakPolarHBondContact O-CA 3.24Å; A155-V172 HydrophobicContact CB-CG2 4.22Å; L170-V172 HydrophobicContact CD1-CG2 4.46Å; L170-V172 HydrophobicContact CD2-CG2 3.76Å; L170-V172 HydrophobicContact CG-CG2 3.62Å; V172-V188 CarbonylContact O-C 3.44Å; V172-V188 VanDerWaalsContact O-CA 3.27Å; V172-V188 WeakPolarHBondContact O-CA 3.44Å; V172-C189 PolarHBondContact N-O 3.24Å; V172-C189 PolarHBondContact O-N 2.89Å |
| 173 | G | 94.9 | Very high | 82.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 128 | 165 | 0 | 0 | 0 | 0 | 0 | 109.5 | T153 A154 A187 | T153-G173 CarbonylContact C-O 3.56Å; T153-G173 WeakPolarHBondContact CA-O 3.02Å; A154-G173 PolarHBondContact N-O 3.18Å; A154-G173 PolarHBondContact O-N 3.25Å; G173-A187 CarbonylContact C-O 3.59Å; G173-A187 WeakPolarHBondContact CA-O 3.37Å |
| 174 | A | 94 | Very high | 82.5 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 2% | 0.017 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 137.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | T153 F185 A187 Y227 | T153-A174 HydrophobicContact CG2-CB 4.13Å; A174-F185 HydrophobicContact CB-CE1 3.48Å; A174-F185 VanDerWaalsContact CB-CE1 3.48Å; A174-F185 HydrophobicContact CB-CZ 3.73Å; A174-A187 PolarHBondContact N-O 3.34Å; A174-Y227 WeakPolarHBondContact O-CE2 3.47Å |
| 175 | S | 91.9 | Very high | 83 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | trans | -64.1 | 139.2 | 177.1 | -50.8 | 0 | 0 | 0 | 0 | 110.3 | S152 V225 | S152-S175 PolarHBondContact N-OG 2.98Å; S152-S175 PolarHBondContact O-N 3.27Å; S152-S175 PolarHBondContact O-OG 3.38Å; S152-S175 VanDerWaalsContact O-OG 3.14Å; S152-S175 PolarHBondContact OG-OG 2.84Å; S175-V225 WeakPolarHBondContact CB-O 3.45Å; S175-V225 PolarHBondContact OG-O 3.14Å | ||
| 176 | F | 87.7 | Confident | 83.5 | Confident | 23 Ų | 23 | 41.4 Ų | 41.4 | 10% | 0.101 | 21% | 0.211 | C | C | . | . | trans | -70.6 | 144.3 | 173 | -171.2 | -85.8 | 0 | 0 | 0 | 110.6 | E179 R182 L215 R220 | F176-E179 HydrophobicContact CE1-CG 4.39Å; F176-R182 HydrophobicContact CE2-CB 4.24Å; F176-R182 WeakPolarHBondContact CE2-O 3.34Å; F176-R182 HydrophobicContact CZ-CB 4.28Å; F176-L215 HydrophobicContact CB-CD1 4.18Å; F176-R220 HydrophobicContact CD1-CB 3.74Å; F176-R220 HydrophobicContact CD1-CG 4.37Å; F176-R220 WeakPolarHBondContact CD1-O 3.31Å; F176-R220 HydrophobicContact CD2-CB 4.45Å; F176-R220 HydrophobicContact CD2-CG 4.2Å; F176-R220 HydrophobicContact CE1-CB 3.61Å; F176-R220 HydrophobicContact CE1-CG 4.23Å; F176-R220 HydrophobicContact CE2-CB 4.29Å; F176-R220 HydrophobicContact CE2-CG 4Å; F176-R220 HydrophobicContact CG-CB 4.19Å; F176-R220 HydrophobicContact CG-CG 4.38Å; F176-R220 HydrophobicContact CZ-CB 3.91Å; F176-R220 HydrophobicContact CZ-CG 4.05Å | ||
| 177 | T | 83.2 | Confident | 84.2 | Confident | 7 Ų | 7 | 38 Ų | 38 | 4% | 0.043 | 18% | 0.182 | C | C | . | . | trans | -141.4 | 161.6 | -179.2 | 49.4 | 0 | 0 | 0 | 0 | 108.7 | N147 E148 S151 R182 | N147-T177 WeakPolarHBondContact OD1-CB 3.43Å; N147-T177 PolarHBondContact OD1-OG1 2.79Å; E148-T177 HydrophobicContact CB-CG2 3.98Å; E148-T177 HydrophobicContact CG-CG2 3.89Å; S151-T177 VanDerWaalsContact OG-CG2 3.24Å; S151-T177 WeakPolarHBondContact OG-CG2 3.21Å; T177-R182 WeakPolarHBondContact O-CD 3.03Å; T177-R182 WeakPolarHBondContact OG1-CD 3.06Å; T177-R182 PolarHBondContact OG1-NE 3.33Å | ||
| 178 | H | 69.3 | Low | 84.8 | Confident | 154 Ų | 154 | 35.9 Ų | 35.9 | 71% | 0.713 | 17% | 0.171 | S | C | * | . | trans | -29.9 | 150.9 | -164.3 | -98.8 | -80.9 | 0 | 0 | 0 | 120.1 | ||||
| 179 | E | 63.8 | Low | 85.1 | Confident | 93 Ų | 93 | 35.7 Ų | 35.7 | 44% | 0.435 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -79.1 | -27.8 | -144.8 | -58.8 | -162.4 | 141.5 | 0 | 0 | 119.3 | F176 Y181 E183 | F176-E179 HydrophobicContact CE1-CG 4.39Å; E179-Y181 PolarHBondContact O-N 3.19Å; E179-E183 VanDerWaalsContact O-CG 3.26Å; E179-E183 WeakPolarHBondContact O-CG 3.43Å |
| 180 | D | 66.9 | Low | 85.2 | Confident | 102 Ų | 102 | 35.5 Ų | 35.5 | 55% | 0.545 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -34.2 | -161.9 | -62.3 | -27.7 | 0 | 0 | 0 | 116.1 | ||
| 181 | Y | 72.8 | Confident | 85.1 | Confident | 71 Ų | 71 | 36 Ų | 36 | 28% | 0.278 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | 1.5 | -179.8 | -66.1 | -84.9 | 0 | 0 | 0 | 113.6 | Q78 N80 L87 E179 | Q78-Y181 WeakPolarHBondContact O-CE2 3.36Å; N80-Y181 HydrophobicContact CB-CD1 4.05Å; N80-Y181 HydrophobicContact CB-CE1 3.87Å; L87-Y181 HydrophobicContact CD1-CE2 4.42Å; E179-Y181 PolarHBondContact O-N 3.19Å |
| 182 | R | 79.9 | Confident | 84.9 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 1% | 0.011 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 6.4 | -174 | -61.2 | -168.2 | 75.3 | 93.1 | -8.9 | 113.6 | Q119 A145 F176 T177 H184 F185 | Q119-R182 PolarHBondContact O-NH1 2.88Å; A145-R182 PolarHBondContact O-NH2 2.95Å; F176-R182 HydrophobicContact CE2-CB 4.24Å; F176-R182 WeakPolarHBondContact CE2-O 3.34Å; F176-R182 HydrophobicContact CZ-CB 4.28Å; T177-R182 WeakPolarHBondContact O-CD 3.03Å; T177-R182 WeakPolarHBondContact OG1-CD 3.06Å; T177-R182 PolarHBondContact OG1-NE 3.33Å; R182-H184 PolarHBondContact O-N 3.1Å; R182-F185 HydrophobicContact CB-CB 4.09Å; R182-F185 VanDerWaalsContact NH2-CD2 3.32Å; R182-F185 WeakPolarHBondContact O-CB 3.25Å; R182-F185 PolarHBondContact O-N 3.24Å |
| 183 | E | 74.6 | Confident | 84.6 | Confident | 96 Ų | 96 | 36.6 Ų | 36.6 | 45% | 0.449 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -35.8 | -177.6 | -62.1 | -173.4 | 166.2 | 0 | 0 | 114.5 | E179 R220 | E179-E183 VanDerWaalsContact O-CG 3.26Å; E179-E183 WeakPolarHBondContact O-CG 3.43Å; E183-R220 PolarHBondContact O-NH1 2.81Å; E183-R220 PolarHBondContact O-NH2 3.38Å |
| 184 | H | 74.8 | Confident | 84.1 | Confident | 156 Ų | 156 | 43.1 Ų | 43.1 | 72% | 0.722 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | 14.4 | -179.3 | -63.2 | 81.2 | 0 | 0 | 0 | 113.1 | R182 P186 | R182-H184 PolarHBondContact O-N 3.1Å; H184-P186 WeakPolarHBondContact O-CD 3.49Å |
| 185 | F | 87.2 | Confident | 83.4 | Confident | 13 Ų | 13 | 50.6 Ų | 50.6 | 6% | 0.057 | 23% | 0.227 | C | C | . | . | trans | -72 | 121.5 | -178.7 | -170.9 | -93.9 | 0 | 0 | 0 | 110.4 | P143 V144 A174 R182 | P143-F185 HydrophobicContact CB-CD2 4.38Å; P143-F185 HydrophobicContact CB-CE2 4.28Å; V144-F185 WeakPolarHBondContact O-CZ 3.3Å; A174-F185 HydrophobicContact CB-CE1 3.48Å; A174-F185 VanDerWaalsContact CB-CE1 3.48Å; A174-F185 HydrophobicContact CB-CZ 3.73Å; R182-F185 HydrophobicContact CB-CB 4.09Å; R182-F185 VanDerWaalsContact NH2-CD2 3.32Å; R182-F185 WeakPolarHBondContact O-CB 3.25Å; R182-F185 PolarHBondContact O-N 3.24Å | ||
| 186 | P | 89.7 | Confident | 83 | Confident | 10 Ų | 10 | 58.9 Ų | 58.9 | 7% | 0.065 | 27% | 0.265 | C | S | . | . | trans | -74.9 | 140.6 | -172.4 | 31 | -36.1 | 0 | 0 | 0 | 112.1 | H184 C189 A212 V214 | H184-P186 WeakPolarHBondContact O-CD 3.49Å; P186-C189 HydrophobicContact CB-CB 3.87Å; P186-C189 HydrophobicContact CG-CB 3.82Å; P186-A212 HydrophobicContact CB-CB 3.64Å; P186-A212 HydrophobicContact CG-CB 4.5Å; P186-V214 HydrophobicContact CB-CG2 4.41Å | ||
| 187 | A | 90.9 | Very high | 82.8 | Confident | 4 Ų | 4 | 62 Ų | 62 | 3% | 0.033 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -69.9 | -46.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | G173 A174 M213 L215 Y227 F357 | G173-A187 CarbonylContact C-O 3.59Å; G173-A187 WeakPolarHBondContact CA-O 3.37Å; A174-A187 PolarHBondContact N-O 3.34Å; A187-M213 PolarHBondContact N-O 3.26Å; A187-L215 HydrophobicContact CB-CG 4.09Å; A187-Y227 VanDerWaalsContact O-CZ 3.27Å; A187-Y227 PolarHBondContact O-OH 3.26Å; A187-F357 HydrophobicContact CB-CE1 4.01Å; A187-F357 HydrophobicContact CB-CZ 4.27Å |
| 188 | V | 94 | Very high | 83 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 144.7 | 167.1 | -68 | 0 | 0 | 0 | 0 | 110.5 | V172 A212 M213 Y227 W239 L258 F267 Y270 | V172-V188 CarbonylContact O-C 3.44Å; V172-V188 VanDerWaalsContact O-CA 3.27Å; V172-V188 WeakPolarHBondContact O-CA 3.44Å; V188-A212 CarbonylContact O-C 3.56Å; V188-A212 VanDerWaalsContact O-CA 3.29Å; V188-A212 WeakPolarHBondContact O-CA 3.47Å; V188-M213 HydrophobicContact CG2-CB 3.82Å; V188-M213 HydrophobicContact CG2-CG 4.04Å; V188-M213 PolarHBondContact N-O 3.45Å; V188-M213 PolarHBondContact O-N 2.93Å; V188-Y227 HydrophobicContact CG1-CE1 3.6Å; V188-W239 HydrophobicContact CB-CZ2 4.35Å; V188-W239 HydrophobicContact CG1-CD2 4.13Å; V188-W239 HydrophobicContact CG1-CG 4.16Å; V188-L258 HydrophobicContact CG1-CD2 3.77Å; V188-F267 HydrophobicContact CG2-CE1 4.11Å; V188-Y270 HydrophobicContact CG2-CD2 4.2Å; V188-Y270 HydrophobicContact CG2-CE2 3.61Å |
| 189 | C | 94.7 | Very high | 83.9 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 165.2 | -179.4 | 63.4 | 0 | 0 | 0 | 0 | 113.8 | Y171 V172 P186 R191 L201 S211 A212 | Y171-C189 WeakPolarHBondContact CA-O 2.99Å; V172-C189 PolarHBondContact N-O 3.24Å; V172-C189 PolarHBondContact O-N 2.89Å; P186-C189 HydrophobicContact CB-CB 3.87Å; P186-C189 HydrophobicContact CG-CB 3.82Å; C189-R191 PolarHBondContact SG-NE 2.89Å; C189-R191 VanDerWaalsContact SG-NE 3.37Å; C189-L201 HydrophobicContact CB-CD2 3.58Å; C189-S211 VanDerWaalsContact CA-O 3.32Å; C189-S211 WeakPolarHBondContact CA-O 3.44Å; C189-S211 WeakPolarHBondContact CB-O 3.26Å; C189-A212 HydrophobicContact CB-CB 3.6Å |
| 190 | S | 93.7 | Very high | 85.2 | Confident | 5 Ų | 5 | 54.1 Ų | 54.1 | 4% | 0.035 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 125.2 | 168.7 | -65.9 | 0 | 0 | 0 | 0 | 110.2 | Y171 V202 S211 F267 | Y171-S190 WeakPolarHBondContact CD1-OG 3.22Å; Y171-S190 WeakPolarHBondContact CE1-OG 3.49Å; S190-V202 PolarHBondContact O-N 3.48Å; S190-S211 PolarHBondContact N-O 2.96Å; S190-F267 VanDerWaalsContact OG-CE2 3.23Å; S190-F267 WeakPolarHBondContact OG-CE2 3.05Å; S190-F267 VanDerWaalsContact OG-CZ 3.31Å; S190-F267 WeakPolarHBondContact OG-CZ 3.15Å |
| 191 | R | 92.5 | Very high | 86.3 | Confident | 10 Ų | 10 | 50.7 Ų | 50.7 | 4% | 0.038 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 141.3 | -176.1 | -67.8 | 176 | 178.2 | -118.9 | 13 | 111.9 | P143 L170 C189 F199 Q200 L201 | P143-R191 PolarHBondContact O-NH1 2.94Å; P143-R191 VanDerWaalsContact O-NH1 3.15Å; P143-R191 PolarHBondContact O-NH2 2.84Å; L170-R191 HydrophobicContact CB-CB 4.32Å; L170-R191 PolarHBondContact N-O 2.7Å; L170-R191 PolarHBondContact O-N 3.06Å; C189-R191 PolarHBondContact SG-NE 2.89Å; C189-R191 VanDerWaalsContact SG-NE 3.37Å; R191-F199 VanDerWaalsContact CD-O 3.22Å; R191-F199 WeakPolarHBondContact CD-O 3.24Å; R191-F199 WeakPolarHBondContact CG-O 3.3Å; R191-F199 PolarHBondContact NH1-O 3.05Å; R191-Q200 CarbonylContact C-O 3.48Å; R191-Q200 WeakPolarHBondContact CA-O 3.18Å; R191-Q200 WeakPolarHBondContact CB-O 3.46Å; R191-L201 HydrophobicContact CG-CD2 4.34Å |
| 192 | T | 90.6 | Very high | 87.1 | Confident | 14 Ų | 14 | 48.5 Ų | 48.5 | 9% | 0.086 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 142.9 | 178.3 | -176.8 | 0 | 0 | 0 | 0 | 111.7 | R194 R197 F199 Q200 | T192-R194 WeakPolarHBondContact OG1-CG 3.46Å; T192-R194 PolarHBondContact OG1-N 3.28Å; T192-R197 HydrophobicContact CG2-CB 3.76Å; T192-R197 WeakPolarHBondContact CG2-O 3.18Å; T192-F199 PolarHBondContact O-N 3.07Å; T192-Q200 PolarHBondContact N-O 2.87Å |
| 193 | L | 88.7 | Confident | 87.5 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | trans | -103 | 13 | 173.7 | -64.3 | 178 | 0 | 0 | 0 | 112.7 | R108 I112 L157 P168 L170 L198 F199 | R108-L193 VanDerWaalsContact CZ-O 3.24Å; R108-L193 PolarHBondContact NH1-O 2.94Å; R108-L193 PolarHBondContact NH2-O 3.33Å; I112-L193 HydrophobicContact CD1-CD1 4.08Å; I112-L193 HydrophobicContact CD1-CD2 3.9Å; L157-L193 HydrophobicContact CD2-CD1 3.44Å; L157-L193 VanDerWaalsContact CD2-CD1 3.44Å; P168-L193 HydrophobicContact CG-CD1 4.49Å; L170-L193 HydrophobicContact CB-CD1 4.22Å; L170-L193 HydrophobicContact CB-CD2 4Å; L170-L193 HydrophobicContact CB-CG 4.07Å; L170-L193 HydrophobicContact CD2-CD2 4.34Å; L193-L198 HydrophobicContact CD2-CD1 4.43Å; L193-F199 HydrophobicContact CD2-CD1 4.07Å; L193-F199 HydrophobicContact CD2-CE1 3.87Å | ||
| 194 | R | 85.4 | Confident | 87.8 | Confident | 138 Ų | 138 | 49.4 Ų | 49.4 | 52% | 0.521 | 23% | 0.228 | S | C | . | . | trans | -67.1 | 138.6 | 172.3 | -68.6 | -179 | -174.6 | 176.1 | 2.5 | 110.5 | D167 T192 E196 R197 L198 | D167-R194 IonicContact OD2-CZ 2.99Å; D167-R194 IonicContact OD2-NE 2.72Å; D167-R194 PolarHBondContact OD2-NE 3.47Å; D167-R194 IonicContact OD2-NH2 2.66Å; D167-R194 PolarHBondContact OD2-NH2 3.29Å; T192-R194 WeakPolarHBondContact OG1-CG 3.46Å; T192-R194 PolarHBondContact OG1-N 3.28Å; R194-E196 PolarHBondContact O-N 3.06Å; R194-R197 CarbonylContact O-C 3.52Å; R194-R197 PolarHBondContact O-N 3.24Å; R194-L198 VanDerWaalsContact O-CA 3.26Å; R194-L198 WeakPolarHBondContact O-CA 3.37Å; R194-L198 PolarHBondContact O-N 3.05Å | ||
| 195 | R | 79.7 | Confident | 87.7 | Confident | 158 Ų | 158 | 43.4 Ų | 43.4 | 60% | 0.596 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -56.1 | -37 | -176.5 | -73.6 | -173.1 | 179.1 | 151.3 | -0.7 | 113.4 | E134 R197 | E134-R195 IonicContact OE1-CZ 2.83Å; E134-R195 IonicContact OE1-NE 2.93Å; E134-R195 PolarHBondContact OE1-NE 2.75Å; E134-R195 IonicContact OE1-NH2 3.86Å; E134-R195 PolarHBondContact OE1-NH2 2.79Å; R195-R197 VanDerWaalsContact C-N 3.34Å; R195-R197 PolarHBondContact O-N 2.79Å |
| 196 | E | 82.2 | Confident | 86.8 | Confident | 175 Ų | 175 | 47.3 Ų | 47.3 | 82% | 0.818 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -70.9 | -26 | -176.7 | -63.5 | 170.1 | -168.9 | 0 | 0 | 114 | R194 | R194-E196 PolarHBondContact O-N 3.06Š|
| 197 | R | 84.3 | Confident | 85.4 | Confident | 89 Ų | 89 | 54.9 Ų | 54.9 | 34% | 0.336 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -134.6 | 32.5 | -173.8 | -66.8 | -174.5 | 63.7 | -147.7 | -12.3 | 111.4 | T192 R194 R195 F199 Q200 L201 | T192-R197 HydrophobicContact CG2-CB 3.76Å; T192-R197 WeakPolarHBondContact CG2-O 3.18Å; R194-R197 CarbonylContact O-C 3.52Å; R194-R197 PolarHBondContact O-N 3.24Å; R195-R197 VanDerWaalsContact C-N 3.34Å; R195-R197 PolarHBondContact O-N 2.79Å; R197-F199 PolarHBondContact O-N 3.05Å; R197-Q200 HydrophobicContact CB-CB 4.37Å; R197-Q200 HydrophobicContact CB-CG 4.4Å; R197-Q200 VanDerWaalsContact O-CB 3.29Å; R197-Q200 WeakPolarHBondContact O-CB 3.48Å; R197-Q200 WeakPolarHBondContact O-CG 3.45Å; R197-Q200 PolarHBondContact O-N 3.05Å; R197-L201 PolarHBondContact NH2-O 3.44Å |
| 198 | L | 86.8 | Confident | 83.7 | Confident | 11 Ų | 11 | 57.5 Ų | 57.5 | 6% | 0.058 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 128.3 | -168.6 | -168.4 | 72.8 | 0 | 0 | 0 | 111.4 | V124 Y135 L193 R194 Q200 | V124-L198 HydrophobicContact CG2-CD2 3.97Å; Y135-L198 HydrophobicContact CD1-CD2 3.56Å; Y135-L198 HydrophobicContact CD2-CD2 3.96Å; Y135-L198 HydrophobicContact CE1-CB 4.38Å; Y135-L198 HydrophobicContact CE1-CD2 3.95Å; Y135-L198 HydrophobicContact CE2-CB 4.4Å; Y135-L198 HydrophobicContact CE2-CD2 4.32Å; Y135-L198 HydrophobicContact CG-CD2 3.53Å; L193-L198 HydrophobicContact CD2-CD1 4.43Å; R194-L198 VanDerWaalsContact O-CA 3.26Å; R194-L198 WeakPolarHBondContact O-CA 3.37Å; R194-L198 PolarHBondContact O-N 3.05Å; L198-Q200 PolarHBondContact O-N 3.21Å; L198-Q200 VanDerWaalsContact O-N 3.14Å |
| 199 | F | 89.8 | Confident | 82.4 | Confident | 8 Ų | 8 | 58.2 Ų | 58.2 | 4% | 0.035 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 2.5 | -178 | -50.3 | -59.8 | 0 | 0 | 0 | 116.6 | I112 C122 V124 V142 V144 L170 R191 T192 L193 R197 | I112-F199 HydrophobicContact CG2-CE1 3.88Å; I112-F199 HydrophobicContact CG2-CZ 3.98Å; C122-F199 HydrophobicContact CB-CD1 4.49Å; C122-F199 HydrophobicContact CB-CD2 4.13Å; C122-F199 HydrophobicContact CB-CE1 4Å; C122-F199 HydrophobicContact CB-CE2 3.58Å; C122-F199 HydrophobicContact CB-CZ 3.51Å; V124-F199 HydrophobicContact CG2-CE2 3.99Å; V124-F199 HydrophobicContact CG2-CZ 3.57Å; V142-F199 HydrophobicContact CB-CB 4.4Å; V144-F199 HydrophobicContact CG2-CB 3.8Å; V144-F199 HydrophobicContact CG2-CD1 4.31Å; V144-F199 HydrophobicContact CG2-CG 4.07Å; L170-F199 HydrophobicContact CD2-CD1 4.03Å; L170-F199 HydrophobicContact CD2-CE1 4.25Å; R191-F199 VanDerWaalsContact CD-O 3.22Å; R191-F199 WeakPolarHBondContact CD-O 3.24Å; R191-F199 WeakPolarHBondContact CG-O 3.3Å; R191-F199 PolarHBondContact NH1-O 3.05Å; T192-F199 PolarHBondContact O-N 3.07Å; L193-F199 HydrophobicContact CD2-CD1 4.07Å; L193-F199 HydrophobicContact CD2-CE1 3.87Å; R197-F199 PolarHBondContact O-N 3.05Å |
| 200 | Q | 90.1 | Very high | 82.1 | Confident | 69 Ų | 69 | 61.2 Ų | 61.2 | 32% | 0.322 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -71.5 | 159.1 | 171 | -62.3 | -179.4 | 6.2 | 0 | 0 | 110.9 | V142 R191 T192 R197 L198 V202 | V142-Q200 HydrophobicContact CG2-CG 4.45Å; R191-Q200 CarbonylContact C-O 3.48Å; R191-Q200 WeakPolarHBondContact CA-O 3.18Å; R191-Q200 WeakPolarHBondContact CB-O 3.46Å; T192-Q200 PolarHBondContact N-O 2.87Å; R197-Q200 HydrophobicContact CB-CB 4.37Å; R197-Q200 HydrophobicContact CB-CG 4.4Å; R197-Q200 VanDerWaalsContact O-CB 3.29Å; R197-Q200 WeakPolarHBondContact O-CB 3.48Å; R197-Q200 WeakPolarHBondContact O-CG 3.45Å; R197-Q200 PolarHBondContact O-N 3.05Å; L198-Q200 PolarHBondContact O-N 3.21Å; L198-Q200 VanDerWaalsContact O-N 3.14Å; Q200-V202 PolarHBondContact O-N 3.13Å |
| 201 | L | 90.7 | Very high | 82 | Confident | 31 Ų | 31 | 61 Ų | 61 | 16% | 0.162 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -56.8 | 138.6 | 169.8 | -63.5 | 179.2 | 0 | 0 | 0 | 110.1 | C189 R191 R197 D203 A212 | C189-L201 HydrophobicContact CB-CD2 3.58Å; R191-L201 HydrophobicContact CG-CD2 4.34Å; R197-L201 PolarHBondContact NH2-O 3.44Å; L201-D203 VanDerWaalsContact C-N 3.28Å; L201-D203 PolarHBondContact O-N 2.9Å; L201-A212 HydrophobicContact CD1-CB 4.18Å; L201-A212 HydrophobicContact CD2-CB 4.01Å |
| 202 | V | 89.4 | Confident | 82 | Confident | 24 Ų | 24 | 60.8 Ų | 60.8 | 15% | 0.145 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -53.8 | -49.6 | 178.3 | 169.8 | 0 | 0 | 0 | 0 | 110.1 | L161 V169 S190 Q200 | L161-V202 HydrophobicContact CD1-CG1 3.29Å; L161-V202 HydrophobicContact CD2-CG1 4.19Å; L161-V202 HydrophobicContact CG-CG1 3.91Å; V169-V202 HydrophobicContact CG1-CG2 3.9Å; V169-V202 HydrophobicContact CG2-CG2 4.06Å; S190-V202 PolarHBondContact O-N 3.48Å; Q200-V202 PolarHBondContact O-N 3.13Å |
| 203 | D | 87.7 | Confident | 82 | Confident | 41 Ų | 41 | 60.4 Ų | 60.4 | 22% | 0.219 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -119.4 | 111.6 | 165.2 | -167.5 | -10.4 | 0 | 0 | 0 | 108.4 | L201 G205 S211 R266 | L201-D203 VanDerWaalsContact C-N 3.28Å; L201-D203 PolarHBondContact O-N 2.9Å; D203-G205 PolarHBondContact O-N 3.1Å; D203-G205 PolarHBondContact OD1-N 3.09Å; D203-S211 WeakPolarHBondContact CA-OG 3.41Å; D203-S211 VanDerWaalsContact CB-OG 3.28Å; D203-S211 WeakPolarHBondContact CB-OG 3.25Å; D203-S211 PolarHBondContact N-OG 3.25Å; D203-S211 PolarHBondContact O-N 3.32Å; D203-S211 PolarHBondContact O-OG 3Å; D203-R266 IonicContact OD2-NE 3.85Å |
| 204 | P | 80.9 | Confident | 82.1 | Confident | 78 Ų | 78 | 61.9 Ų | 61.9 | 51% | 0.506 | 32% | 0.316 | S | S | . | . | trans | -68.3 | -9.8 | 176.4 | 31.4 | -34 | 0 | 0 | 0 | 112.2 | ||||
| 205 | G | 72 | Confident | 82.2 | Confident | 30 Ų | 30 | 55.7 Ų | 55.7 | 31% | 0.309 | 29% | 0.293 | S | S | . | . | trans | 84.7 | 170.1 | 168 | 0 | 0 | 0 | 0 | 0 | 116.3 | D203 G209 | D203-G205 PolarHBondContact O-N 3.1Å; D203-G205 PolarHBondContact OD1-N 3.09Å; G205-G209 CarbonylContact C-O 3.55Å; G205-G209 WeakPolarHBondContact CA-O 3.42Å | ||
| 206 | D | 69.9 | Low | 82.5 | Confident | 95 Ų | 95 | 52.4 Ų | 52.4 | 51% | 0.508 | 28% | 0.283 | S | S | . | . | B | Isolated β-bridge | trans | -133.9 | -164.6 | 172.6 | 59.8 | 24.4 | 0 | 0 | 0 | 108.5 | A208 G209 R266 | D206-A208 PolarHBondContact O-N 2.75Å; D206-A208 VanDerWaalsContact O-N 3.12Å; D206-A208 WeakPolarHBondContact OD1-CA 3.32Å; D206-A208 WeakPolarHBondContact OD1-CB 3.21Å; D206-A208 PolarHBondContact OD1-N 2.92Å; D206-G209 PolarHBondContact N-O 3.37Å; D206-G209 VanDerWaalsContact N-O 3.1Å; D206-G209 PolarHBondContact O-N 3.02Å; D206-G209 VanDerWaalsContact O-N 3.07Å; D206-R266 IonicContact OD1-NH2 3.37Å; D206-R266 IonicContact OD2-CZ 3.55Å; D206-R266 IonicContact OD2-NH2 2.71Å; D206-R266 PolarHBondContact OD2-NH2 2.69Å |
| 207 | I | 58.6 | Low | 82.5 | Confident | 169 Ų | 169 | 47 Ų | 47 | 87% | 0.867 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -23.2 | 178.2 | -57.6 | 168.2 | 0 | 0 | 0 | 111.9 | ||
| 208 | A | 55.8 | Low | 82.4 | Confident | 59 Ų | 59 | 47.3 Ų | 47.3 | 49% | 0.488 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -8.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D206 | D206-A208 PolarHBondContact O-N 2.75Å; D206-A208 VanDerWaalsContact O-N 3.12Å; D206-A208 WeakPolarHBondContact OD1-CA 3.32Å; D206-A208 WeakPolarHBondContact OD1-CB 3.21Å; D206-A208 PolarHBondContact OD1-N 2.92Å |
| 209 | G | 67.7 | Low | 82.1 | Confident | 15 Ų | 15 | 48.7 Ų | 48.7 | 16% | 0.155 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | 133.7 | 173.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G205 D206 | G205-G209 CarbonylContact C-O 3.55Å; G205-G209 WeakPolarHBondContact CA-O 3.42Å; D206-G209 PolarHBondContact N-O 3.37Å; D206-G209 VanDerWaalsContact N-O 3.1Å; D206-G209 PolarHBondContact O-N 3.02Å; D206-G209 VanDerWaalsContact O-N 3.07Å |
| 210 | Q | 87.5 | Confident | 81.6 | Confident | 64 Ų | 64 | 50.3 Ų | 50.3 | 30% | 0.299 | 29% | 0.285 | S | S | . | . | trans | -136.3 | 167.9 | -177.6 | 58.3 | -177.1 | -8.6 | 0 | 0 | 109.4 | A212 V214 R266 | Q210-A212 HydrophobicContact CG-CB 4.12Å; Q210-A212 PolarHBondContact O-N 3.33Å; Q210-V214 VanDerWaalsContact NE2-CG2 3.32Å; Q210-R266 CarbonylContact O-C 3.56Å; Q210-R266 VanDerWaalsContact O-C 3.32Å | ||
| 211 | S | 91.2 | Very high | 80.7 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.007 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -73.3 | 41.7 | 174.4 | -54.2 | 0 | 0 | 0 | 0 | 113.5 | C189 S190 D203 K265 F267 | C189-S211 VanDerWaalsContact CA-O 3.32Å; C189-S211 WeakPolarHBondContact CA-O 3.44Å; C189-S211 WeakPolarHBondContact CB-O 3.26Å; S190-S211 PolarHBondContact N-O 2.96Å; D203-S211 WeakPolarHBondContact CA-OG 3.41Å; D203-S211 VanDerWaalsContact CB-OG 3.28Å; D203-S211 WeakPolarHBondContact CB-OG 3.25Å; D203-S211 PolarHBondContact N-OG 3.25Å; D203-S211 PolarHBondContact O-N 3.32Å; D203-S211 PolarHBondContact O-OG 3Å; S211-K265 WeakPolarHBondContact CB-O 3.29Å; S211-K265 PolarHBondContact OG-O 3.47Å; S211-F267 VanDerWaalsContact C-CD2 3.43Å; S211-F267 VanDerWaalsContact C-CE2 3.49Å; S211-F267 VanDerWaalsContact O-CE2 3.31Å; S211-F267 WeakPolarHBondContact O-CE2 3.43Å |
| 212 | A | 92.4 | Very high | 80 | Confident | 5 Ų | 5 | 52.7 Ų | 52.7 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 152.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | P186 V188 C189 L201 Q210 | P186-A212 HydrophobicContact CB-CB 3.64Å; P186-A212 HydrophobicContact CG-CB 4.5Å; V188-A212 CarbonylContact O-C 3.56Å; V188-A212 VanDerWaalsContact O-CA 3.29Å; V188-A212 WeakPolarHBondContact O-CA 3.47Å; C189-A212 HydrophobicContact CB-CB 3.6Å; L201-A212 HydrophobicContact CD1-CB 4.18Å; L201-A212 HydrophobicContact CD2-CB 4.01Å; Q210-A212 HydrophobicContact CG-CB 4.12Å; Q210-A212 PolarHBondContact O-N 3.33Å |
| 213 | M | 91.9 | Very high | 79.8 | Confident | 6 Ų | 6 | 51.8 Ų | 51.8 | 3% | 0.03 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 129.6 | 166.8 | -61.8 | -67 | -70.4 | 0 | 0 | 109.5 | A187 V188 F267 Y270 F357 L359 | A187-M213 PolarHBondContact N-O 3.26Å; V188-M213 HydrophobicContact CG2-CB 3.82Å; V188-M213 HydrophobicContact CG2-CG 4.04Å; V188-M213 PolarHBondContact N-O 3.45Å; V188-M213 PolarHBondContact O-N 2.93Å; M213-F267 HydrophobicContact CG-CD1 3.97Å; M213-F267 HydrophobicContact SD-CB 4.44Å; M213-Y270 HydrophobicContact CE-CD1 3.76Å; M213-Y270 HydrophobicContact CE-CE1 4.1Å; M213-Y270 HydrophobicContact CE-CG 4.23Å; M213-Y270 HydrophobicContact CG-CD1 4.15Å; M213-Y270 HydrophobicContact CG-CD2 3.78Å; M213-Y270 HydrophobicContact CG-CE1 4.42Å; M213-Y270 HydrophobicContact CG-CE2 4.08Å; M213-Y270 HydrophobicContact CG-CG 3.8Å; M213-Y270 HydrophobicContact SD-CD1 4.27Å; M213-Y270 HydrophobicContact SD-CG 4.13Å; M213-F357 HydrophobicContact CB-CD1 4.23Å; M213-F357 HydrophobicContact CB-CE1 3.74Å; M213-F357 HydrophobicContact CB-CE2 4.3Å; M213-F357 HydrophobicContact CB-CZ 3.78Å; M213-F357 HydrophobicContact CE-CB 4.1Å; M213-F357 HydrophobicContact CE-CD1 4.28Å; M213-F357 HydrophobicContact CE-CD2 3.58Å; M213-F357 HydrophobicContact CE-CE2 4.01Å; M213-F357 HydrophobicContact CE-CG 3.74Å; M213-L359 HydrophobicContact CE-CD1 3.82Å |
| 214 | V | 89.7 | Confident | 79.6 | Confident | 34 Ų | 34 | 52.5 Ų | 52.5 | 21% | 0.206 | 31% | 0.305 | C | S | . | . | trans | -119.7 | 128 | -175.8 | -178 | 0 | 0 | 0 | 0 | 109.1 | P186 Q210 K216 F357 | P186-V214 HydrophobicContact CB-CG2 4.41Å; Q210-V214 VanDerWaalsContact NE2-CG2 3.32Å; V214-K216 PolarHBondContact O-N 2.94Å; V214-F357 WeakPolarHBondContact O-CD1 3.39Å | ||
| 215 | L | 88.3 | Confident | 80.1 | Confident | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.037 | 28% | 0.282 | C | S | . | . | trans | -60 | 136.2 | 176.8 | -71.8 | 170 | 0 | 0 | 0 | 110.7 | F176 A187 R220 F223 H356 F357 | F176-L215 HydrophobicContact CB-CD1 4.18Å; A187-L215 HydrophobicContact CB-CG 4.09Å; L215-R220 HydrophobicContact CB-CG 4.07Å; L215-R220 PolarHBondContact O-NE 3.38Å; L215-F223 HydrophobicContact CD2-CD1 3.86Å; L215-F223 HydrophobicContact CD2-CE1 4.34Å; L215-H356 HydrophobicContact CD2-CB 3.95Å; L215-F357 HydrophobicContact CD2-CD1 4.23Å; L215-F357 HydrophobicContact CD2-CE1 3.88Å; L215-F357 HydrophobicContact CD2-CZ 4.49Å; L215-F357 HydrophobicContact CG-CE1 4.27Å | ||
| 216 | K | 86.5 | Confident | 81.1 | Confident | 89 Ų | 89 | 50.9 Ų | 50.9 | 39% | 0.387 | 28% | 0.283 | S | S | . | . | trans | -60 | 140.4 | 177.1 | -165.3 | -171.2 | -174.7 | -151.8 | 0 | 109.6 | V214 D218 H219 R220 H356 | V214-K216 PolarHBondContact O-N 2.94Å; K216-D218 VanDerWaalsContact CE-OD2 3.27Å; K216-D218 WeakPolarHBondContact CE-OD2 3.41Å; K216-D218 IonicContact NZ-OD2 2.91Å; K216-D218 PolarHBondContact NZ-OD2 3.01Å; K216-D218 PolarHBondContact O-N 3.45Å; K216-H219 PolarHBondContact O-N 2.99Å; K216-R220 WeakPolarHBondContact O-CG 3.26Å; K216-R220 PolarHBondContact O-N 2.05Å; K216-H356 PolarHBondContact N-O 2.77Å | ||
| 217 | S | 81.9 | Confident | 82.2 | Confident | 63 Ų | 63 | 46.8 Ų | 46.8 | 44% | 0.441 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -40.9 | -47.5 | 179.7 | 47 | 0 | 0 | 0 | 0 | 113 | H219 R220 | S217-H219 PolarHBondContact O-N 3.26Å; S217-R220 PolarHBondContact O-N 3.11Å |
| 218 | D | 80.9 | Confident | 83.9 | Confident | 94 Ų | 94 | 42.6 Ų | 42.6 | 50% | 0.503 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -66.8 | -11.8 | -172.8 | -45.1 | -15.6 | 0 | 0 | 0 | 114.1 | K216 | K216-D218 VanDerWaalsContact CE-OD2 3.27Å; K216-D218 WeakPolarHBondContact CE-OD2 3.41Å; K216-D218 IonicContact NZ-OD2 2.91Å; K216-D218 PolarHBondContact NZ-OD2 3.01Å; K216-D218 PolarHBondContact O-N 3.45Å |
| 219 | H | 81.3 | Confident | 85.7 | Confident | 41 Ų | 41 | 40.5 Ų | 40.5 | 19% | 0.19 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -123.8 | -0.6 | -173.7 | -57.5 | -40 | 0 | 0 | 0 | 113.6 | K216 S217 S221 D222 F223 L247 | K216-H219 PolarHBondContact O-N 2.99Å; S217-H219 PolarHBondContact O-N 3.26Å; H219-S221 PolarHBondContact O-N 2.66Å; H219-D222 PolarHBondContact O-N 3.45Å; H219-F223 HydrophobicContact CB-CB 4.18Å; H219-F223 VanDerWaalsContact O-CB 3.27Å; H219-F223 WeakPolarHBondContact O-CB 3.05Å; H219-F223 PolarHBondContact O-N 3.17Å; H219-L247 HydrophobicContact CB-CD2 4.21Å; H219-L247 VanDerWaalsContact NE2-CD1 3.33Å; H219-L247 WeakPolarHBondContact NE2-CD1 3.07Å |
| 220 | R | 78.7 | Confident | 86.9 | Confident | 42 Ų | 42 | 40.7 Ų | 40.7 | 16% | 0.158 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -39.6 | -174.4 | -75.9 | 172.9 | -171.3 | 171.6 | -1.9 | 113.7 | F176 E183 L215 K216 S217 | F176-R220 HydrophobicContact CD1-CB 3.74Å; F176-R220 HydrophobicContact CD1-CG 4.37Å; F176-R220 WeakPolarHBondContact CD1-O 3.31Å; F176-R220 HydrophobicContact CD2-CB 4.45Å; F176-R220 HydrophobicContact CD2-CG 4.2Å; F176-R220 HydrophobicContact CE1-CB 3.61Å; F176-R220 HydrophobicContact CE1-CG 4.23Å; F176-R220 HydrophobicContact CE2-CB 4.29Å; F176-R220 HydrophobicContact CE2-CG 4Å; F176-R220 HydrophobicContact CG-CB 4.19Å; F176-R220 HydrophobicContact CG-CG 4.38Å; F176-R220 HydrophobicContact CZ-CB 3.91Å; F176-R220 HydrophobicContact CZ-CG 4.05Å; E183-R220 PolarHBondContact O-NH1 2.81Å; E183-R220 PolarHBondContact O-NH2 3.38Å; L215-R220 HydrophobicContact CB-CG 4.07Å; L215-R220 PolarHBondContact O-NE 3.38Å; K216-R220 WeakPolarHBondContact O-CG 3.26Å; K216-R220 PolarHBondContact O-N 2.05Å; S217-R220 PolarHBondContact O-N 3.11Å |
| 221 | S | 71 | Confident | 87.3 | Confident | 72 Ų | 72 | 38.6 Ų | 38.6 | 50% | 0.503 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -33.5 | 178.3 | 61.2 | 0 | 0 | 0 | 0 | 112.9 | H219 | H219-S221 PolarHBondContact O-N 2.66Š|
| 222 | D | 76.2 | Confident | 87.4 | Confident | 77 Ų | 77 | 40.8 Ų | 40.8 | 41% | 0.412 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | -29.3 | -162.4 | -67.3 | 1.5 | 0 | 0 | 0 | 112.7 | H219 R244 L249 | H219-D222 PolarHBondContact O-N 3.45Å; D222-R244 PolarHBondContact O-NH1 3.39Å; D222-L249 HydrophobicContact CB-CD2 3.86Å |
| 223 | F | 84.9 | Confident | 87.3 | Confident | 6 Ų | 6 | 41.2 Ų | 41.2 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | trans | -101 | 83.8 | -178 | -169.7 | -97.1 | 0 | 0 | 0 | 111.5 | L215 H219 V225 Q243 R244 L247 H356 | L215-F223 HydrophobicContact CD2-CD1 3.86Å; L215-F223 HydrophobicContact CD2-CE1 4.34Å; H219-F223 HydrophobicContact CB-CB 4.18Å; H219-F223 VanDerWaalsContact O-CB 3.27Å; H219-F223 WeakPolarHBondContact O-CB 3.05Å; H219-F223 PolarHBondContact O-N 3.17Å; F223-V225 HydrophobicContact CD1-CG2 3.85Å; F223-V225 HydrophobicContact CE1-CG2 3.51Å; F223-V225 HydrophobicContact CZ-CG2 4.47Å; F223-Q243 HydrophobicContact CE1-CB 4.37Å; F223-Q243 HydrophobicContact CZ-CB 3.93Å; F223-Q243 HydrophobicContact CZ-CG 4.08Å; F223-R244 HydrophobicContact CE2-CB 4.18Å; F223-L247 HydrophobicContact CD2-CD2 3.98Å; F223-L247 HydrophobicContact CG-CD2 4.34Å; F223-H356 HydrophobicContact CD1-CB 3.79Å; F223-H356 HydrophobicContact CE1-CB 3.73Å; F223-H356 AromaticContact CE1-CD2 3.72Å; F223-H356 AromaticContact CE1-CG 3.71Å; F223-H356 HydrophobicContact CG-CB 4.21Å; F223-H356 HydrophobicContact CZ-CB 4.11Å; F223-H356 AromaticContact CZ-CG 3.98Å | ||
| 224 | V | 84.7 | Confident | 87 | Confident | 56 Ų | 56 | 45.7 Ų | 45.7 | 34% | 0.339 | 25% | 0.251 | S | S | . | . | trans | -84.3 | 125.6 | 177.8 | -175.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 225 | V | 90.7 | Very high | 86.9 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.024 | 26% | 0.258 | C | S | . | . | trans | -102.8 | 124.7 | 175.2 | -177 | 0 | 0 | 0 | 0 | 109.5 | S175 F223 Y227 A241 Q243 | S175-V225 WeakPolarHBondContact CB-O 3.45Å; S175-V225 PolarHBondContact OG-O 3.14Å; F223-V225 HydrophobicContact CD1-CG2 3.85Å; F223-V225 HydrophobicContact CE1-CG2 3.51Å; F223-V225 HydrophobicContact CZ-CG2 4.47Å; V225-Y227 HydrophobicContact CB-CE2 3.88Å; V225-Y227 HydrophobicContact CG1-CD1 4.33Å; V225-Y227 HydrophobicContact CG1-CD2 4.23Å; V225-Y227 HydrophobicContact CG1-CE1 3.82Å; V225-Y227 HydrophobicContact CG1-CE2 3.69Å; V225-Y227 VanDerWaalsContact CG1-CZ 3.47Å; V225-A241 HydrophobicContact CG1-CB 3.71Å; V225-Q243 HydrophobicContact CG1-CB 4.31Å; V225-Q243 HydrophobicContact CG2-CB 4.17Å | ||
| 226 | H | 92.7 | Very high | 87 | Confident | 70 Ų | 70 | 45.8 Ų | 45.8 | 32% | 0.324 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 103.5 | 177 | -62.8 | -69.1 | 0 | 0 | 0 | 111.1 | S152 A241 V242 | S152-H226 VanDerWaalsContact OG-CA 3.27Å; S152-H226 WeakPolarHBondContact OG-CA 3.37Å; H226-A241 CarbonylContact O-C 3.59Å; H226-A241 WeakPolarHBondContact O-CA 3.17Å; H226-V242 HydrophobicContact CB-CB 4.31Å; H226-V242 WeakPolarHBondContact CB-O 3.45Å; H226-V242 PolarHBondContact N-O 3.47Å; H226-V242 PolarHBondContact O-N 3.44Å |
| 227 | Y | 94.7 | Very high | 87.4 | Confident | 9 Ų | 9 | 41.5 Ų | 41.5 | 4% | 0.035 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 123.7 | 178.4 | -61.5 | -82.3 | 0 | 0 | 0 | 111 | S152 A174 A187 V188 V225 W239 A241 L258 | S152-Y227 WeakPolarHBondContact CB-O 3.46Å; S152-Y227 PolarHBondContact OG-N 2.81Å; A174-Y227 WeakPolarHBondContact O-CE2 3.47Å; A187-Y227 VanDerWaalsContact O-CZ 3.27Å; A187-Y227 PolarHBondContact O-OH 3.26Å; V188-Y227 HydrophobicContact CG1-CE1 3.6Å; V225-Y227 HydrophobicContact CB-CE2 3.88Å; V225-Y227 HydrophobicContact CG1-CD1 4.33Å; V225-Y227 HydrophobicContact CG1-CD2 4.23Å; V225-Y227 HydrophobicContact CG1-CE1 3.82Å; V225-Y227 HydrophobicContact CG1-CE2 3.69Å; V225-Y227 VanDerWaalsContact CG1-CZ 3.47Å; Y227-W239 HydrophobicContact CD1-CB 4.46Å; Y227-A241 HydrophobicContact CD1-CB 4.14Å; Y227-A241 HydrophobicContact CE1-CB 4.31Å; Y227-L258 HydrophobicContact CE1-CD2 4.15Å |
| 228 | K | 93.1 | Very high | 88 | Confident | 81 Ų | 81 | 38.5 Ų | 38.5 | 35% | 0.352 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -21.9 | -178 | -64.2 | -70.1 | -178.4 | 165.8 | 0 | 113.3 | V240 V242 V288 F291 | K228-V240 HydrophobicContact CB-CB 4.44Å; K228-V240 HydrophobicContact CB-CG1 4.29Å; K228-V240 PolarHBondContact N-O 2.95Å; K228-V242 HydrophobicContact CG-CG2 4.38Å; K228-V288 WeakPolarHBondContact CE-O 3.44Å; K228-V288 HydrophobicContact CG-CG1 4.2Å; K228-F291 HydrophobicContact CB-CE1 4.42Å |
| 229 | G | 93.5 | Very high | 88.8 | Confident | 15 Ų | 15 | 34 Ų | 34 | 16% | 0.155 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.3 | -170.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V240 | G229-V240 PolarHBondContact O-N 3.38Å |
| 230 | G | 94.1 | Very high | 89.6 | Confident | 18 Ų | 18 | 32.1 Ų | 32.1 | 19% | 0.186 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.7 | 169.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F156 Y238 | F156-G230 VanDerWaalsContact CD1-C 3.43Å; F156-G230 VanDerWaalsContact CD1-CA 3.47Å; F156-G230 VanDerWaalsContact CE1-CA 3.44Å; G230-Y238 CarbonylContact C-O 3.37Å; G230-Y238 WeakPolarHBondContact CA-O 3.49Å |
| 231 | F | 95.2 | Very high | 90.4 | Very high | 21 Ų | 21 | 30.1 Ų | 30.1 | 9% | 0.092 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 165.6 | -172.3 | 60.3 | -85.7 | 0 | 0 | 0 | 110.8 | F156 D233 Y238 V240 L257 F291 V293 F306 M331 | F156-F231 WeakPolarHBondContact CE2-O 3.34Å; F231-D233 HydrophobicContact CD2-CB 4.22Å; F231-D233 HydrophobicContact CE2-CB 4.19Å; F231-Y238 AromaticContact CD2-CD2 3.91Å; F231-Y238 HydrophobicContact CD2-CD2 3.91Å; F231-Y238 HydrophobicContact CD2-CG 4.33Å; F231-Y238 HydrophobicContact CE1-CG 4.32Å; F231-Y238 HydrophobicContact CE2-CD1 4.47Å; F231-Y238 AromaticContact CE2-CD2 3.43Å; F231-Y238 HydrophobicContact CE2-CD2 3.43Å; F231-Y238 VanDerWaalsContact CE2-CD2 3.43Å; F231-Y238 HydrophobicContact CE2-CE2 4.08Å; F231-Y238 AromaticContact CE2-CG 3.66Å; F231-Y238 HydrophobicContact CE2-CG 3.66Å; F231-Y238 HydrophobicContact CZ-CD1 4.23Å; F231-Y238 AromaticContact CZ-CD2 3.95Å; F231-Y238 HydrophobicContact CZ-CD2 3.95Å; F231-Y238 AromaticContact CZ-CG 3.66Å; F231-Y238 HydrophobicContact CZ-CG 3.66Å; F231-Y238 PolarHBondContact N-O 2.93Å; F231-Y238 PolarHBondContact O-N 3.01Å; F231-V240 HydrophobicContact CD1-CG2 4.49Å; F231-V240 HydrophobicContact CE1-CG2 4.11Å; F231-L257 HydrophobicContact CE1-CD2 4.23Å; F231-L257 HydrophobicContact CZ-CD2 4.48Å; F231-F291 AromaticContact CD1-CE2 3.83Å; F231-F291 HydrophobicContact CD1-CE2 3.83Å; F231-F291 HydrophobicContact CE1-CE2 4.38Å; F231-V293 HydrophobicContact CD1-CB 4.4Å; F231-V293 HydrophobicContact CD1-CG2 3.59Å; F231-V293 HydrophobicContact CD2-CB 4.08Å; F231-V293 HydrophobicContact CD2-CG1 3.77Å; F231-V293 HydrophobicContact CD2-CG2 3.98Å; F231-V293 HydrophobicContact CE1-CG2 3.61Å; F231-V293 HydrophobicContact CE2-CB 4.36Å; F231-V293 HydrophobicContact CE2-CG1 3.81Å; F231-V293 HydrophobicContact CE2-CG2 3.99Å; F231-V293 HydrophobicContact CG-CB 4.1Å; F231-V293 HydrophobicContact CG-CG1 4.31Å; F231-V293 HydrophobicContact CG-CG2 3.78Å; F231-V293 HydrophobicContact CZ-CG1 4.39Å; F231-V293 HydrophobicContact CZ-CG2 3.81Å; F231-F306 AromaticContact CE1-CD2 3.95Å; F231-F306 HydrophobicContact CE1-CD2 3.95Å; F231-F306 HydrophobicContact CE1-CE2 4.04Å; F231-F306 HydrophobicContact CZ-CD2 4.13Å; F231-M331 HydrophobicContact CE2-CE 3.79Å; F231-M331 HydrophobicContact CE2-SD 4.07Å; F231-M331 HydrophobicContact CZ-CE 4.23Å; F231-M331 HydrophobicContact CZ-SD 4.23Å |
| 232 | V | 92.9 | Very high | 91.4 | Very high | 47 Ų | 47 | 26.7 Ų | 26.7 | 29% | 0.285 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 130.3 | 172.4 | 178.6 | 0 | 0 | 0 | 0 | 108.8 | F156 P159 Y236 A237 T262 | F156-V232 HydrophobicContact CD2-CG2 3.97Å; F156-V232 HydrophobicContact CE2-CG2 3.72Å; P159-V232 HydrophobicContact CG-CG1 4.32Å; V232-Y236 VanDerWaalsContact CA-O 3.26Å; V232-Y236 WeakPolarHBondContact CA-O 3.47Å; V232-Y236 WeakPolarHBondContact CG1-O 3.42Å; V232-A237 HydrophobicContact CG2-CB 4.41Å; V232-T262 HydrophobicContact CG1-CG2 4.13Å |
| 233 | D | 90.9 | Very high | 92.1 | Very high | 13 Ų | 13 | 23.1 Ų | 23.1 | 7% | 0.07 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 134.1 | 173.4 | -173.2 | 64.3 | 0 | 0 | 0 | 110.1 | F231 G235 Y236 Y238 H304 M331 R335 | F231-D233 HydrophobicContact CD2-CB 4.22Å; F231-D233 HydrophobicContact CE2-CB 4.19Å; D233-G235 VanDerWaalsContact C-N 3.3Å; D233-G235 PolarHBondContact O-N 3.23Å; D233-G235 VanDerWaalsContact O-N 3.09Å; D233-Y236 PolarHBondContact N-O 3.48Å; D233-Y236 PolarHBondContact O-N 3.48Å; D233-Y238 HydrophobicContact CB-CD2 4.5Å; D233-Y238 HydrophobicContact CB-CE2 4.03Å; D233-H304 IonicContact OD1-CE1 3.95Å; D233-H304 IonicContact OD1-CG 3.88Å; D233-H304 IonicContact OD1-ND1 3.84Å; D233-H304 PolarHBondContact OD1-ND1 3.37Å; D233-M331 HydrophobicContact CB-CE 4.03Å; D233-R335 IonicContact OD2-CZ 2.87Å; D233-R335 IonicContact OD2-NH1 2.77Å; D233-R335 PolarHBondContact OD2-NH1 3.4Å |
| 234 | N | 86.1 | Confident | 92.3 | Very high | 101 Ų | 101 | 25.6 Ų | 25.6 | 54% | 0.54 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.9 | 41 | 171.9 | -156.6 | 39.8 | 0 | 0 | 0 | 116.2 | Y236 R335 | N234-Y236 VanDerWaalsContact O-CD2 3.28Å; N234-Y236 WeakPolarHBondContact O-CD2 3.09Å; N234-R335 PolarHBondContact ND2-NH1 3Å |
| 235 | G | 87.1 | Confident | 92.2 | Very high | 34 Ų | 34 | 28 Ų | 28 | 35% | 0.351 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | 8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | D233 T262 | D233-G235 VanDerWaalsContact C-N 3.3Å; D233-G235 PolarHBondContact O-N 3.23Å; D233-G235 VanDerWaalsContact O-N 3.09Å; G235-T262 PolarHBondContact O-N 2.03Å; G235-T262 PolarHBondContact O-OG1 2.89Å |
| 236 | Y | 90.8 | Very high | 91.8 | Very high | 8 Ų | 8 | 30.2 Ų | 30.2 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 143.5 | 178.1 | -61.5 | -87.8 | 0 | 0 | 0 | 111.6 | V232 D233 N234 Y238 R259 V260 C261 E376 | V232-Y236 VanDerWaalsContact CA-O 3.26Å; V232-Y236 WeakPolarHBondContact CA-O 3.47Å; V232-Y236 WeakPolarHBondContact CG1-O 3.42Å; D233-Y236 PolarHBondContact N-O 3.48Å; D233-Y236 PolarHBondContact O-N 3.48Å; N234-Y236 VanDerWaalsContact O-CD2 3.28Å; N234-Y236 WeakPolarHBondContact O-CD2 3.09Å; Y236-Y238 VanDerWaalsContact CB-CE2 3.41Å; Y236-Y238 HydrophobicContact CG-CE2 4.43Å; Y236-R259 HydrophobicContact CD1-CG 3.74Å; Y236-R259 HydrophobicContact CG-CG 4.07Å; Y236-V260 CarbonylContact C-O 3.52Å; Y236-V260 WeakPolarHBondContact CA-O 3Å; Y236-C261 HydrophobicContact CD1-CB 4.46Å; Y236-C261 HydrophobicContact CE1-CB 4.5Å; Y236-C261 WeakPolarHBondContact CE1-SG 3.46Å; Y236-E376 HydrophobicContact CE2-CB 3.99Å; Y236-E376 HydrophobicContact CE2-CG 4.25Å; Y236-E376 WeakPolarHBondContact CE2-OE2 3.09Å; Y236-E376 WeakPolarHBondContact OH-CB 3.43Å; Y236-E376 VanDerWaalsContact OH-CG 3.29Å; Y236-E376 WeakPolarHBondContact OH-CG 3.44Å; Y236-E376 PolarHBondContact OH-O 2.9Å; Y236-E376 VanDerWaalsContact OH-O 3.13Å |
| 237 | A | 93.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 128.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | F156 Y171 V232 W239 R259 V260 T262 | F156-A237 HydrophobicContact CE2-CB 3.96Å; F156-A237 HydrophobicContact CZ-CB 4.05Å; Y171-A237 HydrophobicContact CD1-CB 3.54Å; Y171-A237 HydrophobicContact CD2-CB 4.24Å; Y171-A237 HydrophobicContact CE1-CB 3.45Å; Y171-A237 VanDerWaalsContact CE1-CB 3.45Å; Y171-A237 HydrophobicContact CE2-CB 4.19Å; Y171-A237 HydrophobicContact CG-CB 3.93Å; V232-A237 HydrophobicContact CG2-CB 4.41Å; A237-W239 HydrophobicContact CB-CH2 4.36Å; A237-W239 HydrophobicContact CB-CZ3 4.39Å; A237-R259 CarbonylContact O-C 3.56Å; A237-R259 WeakPolarHBondContact O-CA 3.42Å; A237-V260 HydrophobicContact CB-CG1 4.06Å; A237-V260 PolarHBondContact N-O 2.84Å; A237-V260 PolarHBondContact O-N 2.83Å; A237-T262 HydrophobicContact CB-CG2 4.34Å |
| 238 | Y | 96 | Very high | 90.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 139 | -176.3 | -64 | -95.8 | 0 | 0 | 0 | 111.5 | F156 G230 F231 D233 Y236 L258 R259 M331 I334 F338 | F156-Y238 WeakPolarHBondContact CE1-O 3.37Å; F156-Y238 WeakPolarHBondContact CZ-O 3.44Å; G230-Y238 CarbonylContact C-O 3.37Å; G230-Y238 WeakPolarHBondContact CA-O 3.49Å; F231-Y238 AromaticContact CD2-CD2 3.91Å; F231-Y238 HydrophobicContact CD2-CD2 3.91Å; F231-Y238 HydrophobicContact CD2-CG 4.33Å; F231-Y238 HydrophobicContact CE1-CG 4.32Å; F231-Y238 HydrophobicContact CE2-CD1 4.47Å; F231-Y238 AromaticContact CE2-CD2 3.43Å; F231-Y238 HydrophobicContact CE2-CD2 3.43Å; F231-Y238 VanDerWaalsContact CE2-CD2 3.43Å; F231-Y238 HydrophobicContact CE2-CE2 4.08Å; F231-Y238 AromaticContact CE2-CG 3.66Å; F231-Y238 HydrophobicContact CE2-CG 3.66Å; F231-Y238 HydrophobicContact CZ-CD1 4.23Å; F231-Y238 AromaticContact CZ-CD2 3.95Å; F231-Y238 HydrophobicContact CZ-CD2 3.95Å; F231-Y238 AromaticContact CZ-CG 3.66Å; F231-Y238 HydrophobicContact CZ-CG 3.66Å; F231-Y238 PolarHBondContact N-O 2.93Å; F231-Y238 PolarHBondContact O-N 3.01Å; D233-Y238 HydrophobicContact CB-CD2 4.5Å; D233-Y238 HydrophobicContact CB-CE2 4.03Å; Y236-Y238 VanDerWaalsContact CB-CE2 3.41Å; Y236-Y238 HydrophobicContact CG-CE2 4.43Å; Y238-L258 CarbonylContact C-O 3.36Å; Y238-L258 WeakPolarHBondContact CA-O 3.46Å; Y238-R259 HydrophobicContact CD1-CB 3.86Å; Y238-R259 HydrophobicContact CD1-CG 3.86Å; Y238-R259 HydrophobicContact CE1-CB 3.87Å; Y238-R259 HydrophobicContact CE1-CG 3.52Å; Y238-R259 HydrophobicContact CE2-CG 4.49Å; Y238-R259 HydrophobicContact CG-CG 4.48Å; Y238-R259 WeakPolarHBondContact OH-CD 3.47Å; Y238-M331 HydrophobicContact CE1-CE 4.3Å; Y238-M331 HydrophobicContact CE2-CE 3.98Å; Y238-I334 HydrophobicContact CE1-CG2 4.37Å; Y238-F338 HydrophobicContact CD1-CE2 4.24Å; Y238-F338 HydrophobicContact CE1-CD2 4.35Å; Y238-F338 AromaticContact CE1-CE2 3.73Å; Y238-F338 HydrophobicContact CE1-CE2 3.73Å; Y238-F338 HydrophobicContact CE1-CZ 4.35Å |
| 239 | W | 97.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 138.8 | 166.6 | -60.5 | -105.2 | 0 | 0 | 0 | 110 | F156 Y171 V188 Y227 A237 L257 L258 V260 F267 | F156-W239 AromaticContact CE1-CD1 3.84Å; F156-W239 HydrophobicContact CE1-CD2 4.25Å; F156-W239 AromaticContact CE1-CE2 3.96Å; F156-W239 HydrophobicContact CE1-CG 4.2Å; F156-W239 AromaticContact CE1-NE1 3.65Å; F156-W239 HydrophobicContact CZ-CD2 4.34Å; F156-W239 HydrophobicContact CZ-CZ2 4.45Å; Y171-W239 AromaticContact CD1-CH2 3.66Å; Y171-W239 HydrophobicContact CD1-CH2 3.66Å; Y171-W239 AromaticContact CD1-CZ2 3.73Å; Y171-W239 HydrophobicContact CD1-CZ2 3.73Å; Y171-W239 HydrophobicContact CE1-CH2 4.47Å; Y171-W239 HydrophobicContact CG-CH2 4.47Å; Y171-W239 HydrophobicContact CG-CZ2 4.17Å; V188-W239 HydrophobicContact CB-CZ2 4.35Å; V188-W239 HydrophobicContact CG1-CD2 4.13Å; V188-W239 HydrophobicContact CG1-CG 4.16Å; Y227-W239 HydrophobicContact CD1-CB 4.46Å; A237-W239 HydrophobicContact CB-CH2 4.36Å; A237-W239 HydrophobicContact CB-CZ3 4.39Å; W239-L257 WeakPolarHBondContact O-CA 3.25Å; W239-L258 HydrophobicContact CB-CB 4.16Å; W239-L258 HydrophobicContact CB-CD2 4.43Å; W239-L258 HydrophobicContact CE3-CB 4.28Å; W239-L258 PolarHBondContact N-O 2.86Å; W239-L258 PolarHBondContact O-N 3.27Å; W239-V260 HydrophobicContact CH2-CG1 3.65Å; W239-V260 HydrophobicContact CZ3-CB 4.23Å; W239-V260 HydrophobicContact CZ3-CG1 3.66Å; W239-F267 HydrophobicContact CH2-CE1 4.1Å; W239-F267 HydrophobicContact CH2-CZ 4.1Å |
| 240 | V | 96.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 116.9 | 173.9 | -173.3 | 0 | 0 | 0 | 0 | 107.7 | K228 G229 F231 L257 V288 F291 F306 | K228-V240 HydrophobicContact CB-CB 4.44Å; K228-V240 HydrophobicContact CB-CG1 4.29Å; K228-V240 PolarHBondContact N-O 2.95Å; G229-V240 PolarHBondContact O-N 3.38Å; F231-V240 HydrophobicContact CD1-CG2 4.49Å; F231-V240 HydrophobicContact CE1-CG2 4.11Å; V240-L257 HydrophobicContact CB-CD2 4.42Å; V240-L257 HydrophobicContact CG2-CD2 3.72Å; V240-V288 HydrophobicContact CG1-CB 4.46Å; V240-V288 HydrophobicContact CG1-CG1 3.43Å; V240-V288 VanDerWaalsContact CG1-CG1 3.43Å; V240-V288 HydrophobicContact CG1-CG2 4.29Å; V240-F291 HydrophobicContact CB-CD1 4.11Å; V240-F291 HydrophobicContact CB-CE1 3.75Å; V240-F291 HydrophobicContact CB-CZ 4.21Å; V240-F291 HydrophobicContact CG1-CD1 4.09Å; V240-F291 HydrophobicContact CG1-CE1 4.22Å; V240-F291 HydrophobicContact CG2-CD1 3.82Å; V240-F291 HydrophobicContact CG2-CD2 4.18Å; V240-F291 HydrophobicContact CG2-CE1 3.49Å; V240-F291 VanDerWaalsContact CG2-CE1 3.49Å; V240-F291 HydrophobicContact CG2-CE2 3.87Å; V240-F291 HydrophobicContact CG2-CG 4.16Å; V240-F291 HydrophobicContact CG2-CZ 3.53Å; V240-F306 HydrophobicContact CG1-CZ 4.23Å; V240-F306 HydrophobicContact CG2-CE2 3.7Å; V240-F306 HydrophobicContact CG2-CZ 4.13Å |
| 241 | A | 95.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 149.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V225 H226 Y227 S255 K256 L258 | V225-A241 HydrophobicContact CG1-CB 3.71Å; H226-A241 CarbonylContact O-C 3.59Å; H226-A241 WeakPolarHBondContact O-CA 3.17Å; Y227-A241 HydrophobicContact CD1-CB 4.14Å; Y227-A241 HydrophobicContact CE1-CB 4.31Å; A241-S255 CarbonylContact O-C 3.6Å; A241-S255 WeakPolarHBondContact O-CA 3.48Å; A241-K256 PolarHBondContact N-O 2.75Å; A241-K256 PolarHBondContact O-N 3.05Å; A241-L258 HydrophobicContact CB-CD1 3.5Å; A241-L258 VanDerWaalsContact CB-CD1 3.5Å |
| 242 | V | 93.7 | Very high | 87 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 118.6 | 166.4 | -178.8 | 0 | 0 | 0 | 0 | 107.3 | H226 K228 L253 V288 | H226-V242 HydrophobicContact CB-CB 4.31Å; H226-V242 WeakPolarHBondContact CB-O 3.45Å; H226-V242 PolarHBondContact N-O 3.47Å; H226-V242 PolarHBondContact O-N 3.44Å; K228-V242 HydrophobicContact CG-CG2 4.38Å; V242-L253 HydrophobicContact CG1-CB 3.99Å; V242-L253 HydrophobicContact CG1-CD1 4.38Å; V242-L253 HydrophobicContact CG1-CD2 4.44Å; V242-V288 HydrophobicContact CG2-CG1 3.79Å |
| 243 | Q | 90.8 | Very high | 86.7 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 166.7 | -178.8 | 65.1 | -171.4 | 34.7 | 0 | 0 | 109.9 | F223 V225 R254 K256 E272 | F223-Q243 HydrophobicContact CE1-CB 4.37Å; F223-Q243 HydrophobicContact CZ-CB 3.93Å; F223-Q243 HydrophobicContact CZ-CG 4.08Å; V225-Q243 HydrophobicContact CG1-CB 4.31Å; V225-Q243 HydrophobicContact CG2-CB 4.17Å; Q243-R254 PolarHBondContact N-O 3.09Å; Q243-R254 VanDerWaalsContact N-O 3.1Å; Q243-R254 PolarHBondContact O-N 3.2Å; Q243-R254 VanDerWaalsContact O-O 3.12Å; Q243-K256 HydrophobicContact CG-CD 4.44Å; Q243-K256 HydrophobicContact CG-CG 4.42Å; Q243-K256 VanDerWaalsContact NE2-CE 3.3Å; Q243-E272 PolarHBondContact NE2-OE2 3.3Å |
| 244 | R | 87.8 | Confident | 86.6 | Confident | 58 Ų | 58 | 37.3 Ų | 37.3 | 22% | 0.219 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 145.5 | 173.8 | -66.3 | -164.7 | -174.4 | 118.8 | 3.4 | 110.7 | D222 F223 S246 D248 L249 L253 | D222-R244 PolarHBondContact O-NH1 3.39Å; F223-R244 HydrophobicContact CE2-CB 4.18Å; R244-S246 VanDerWaalsContact C-N 3.27Å; R244-S246 VanDerWaalsContact CB-O 3.3Å; R244-S246 WeakPolarHBondContact CB-O 3.21Å; R244-S246 PolarHBondContact O-N 3.28Å; R244-D248 WeakPolarHBondContact CD-O 3.43Å; R244-L249 PolarHBondContact NE-O 2.04Å; R244-L253 HydrophobicContact CG-CD2 4.05Å |
| 245 | Q | 83.7 | Confident | 87 | Confident | 105 Ų | 105 | 32.5 Ų | 32.5 | 49% | 0.491 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -63.5 | -34.2 | 178.2 | 174.2 | 179.7 | 1.3 | 0 | 0 | 112.2 | S251 P252 | Q245-S251 WeakPolarHBondContact CB-OG 3.03Å; Q245-P252 WeakPolarHBondContact CB-O 3.01Å; Q245-P252 PolarHBondContact N-O 3.33Å |
| 246 | S | 81.4 | Confident | 87.4 | Confident | 51 Ų | 51 | 31.6 Ų | 31.6 | 36% | 0.357 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -136.6 | 175.7 | 175.9 | 71.7 | 0 | 0 | 0 | 0 | 111 | R244 D248 S251 | R244-S246 VanDerWaalsContact C-N 3.27Å; R244-S246 VanDerWaalsContact CB-O 3.3Å; R244-S246 WeakPolarHBondContact CB-O 3.21Å; R244-S246 PolarHBondContact O-N 3.28Å; S246-D248 PolarHBondContact O-N 3.07Å; S246-D248 PolarHBondContact OG-N 2.92Å; S246-S251 PolarHBondContact N-OG 3.2Å; S246-S251 WeakPolarHBondContact OG-CB 3.32Å; S246-S251 PolarHBondContact OG-OG 2.66Å |
| 247 | L | 82.2 | Confident | 87.6 | Confident | 57 Ų | 57 | 31.2 Ų | 31.2 | 30% | 0.298 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -70.5 | -9.1 | 176.1 | -67.4 | 172.8 | 0 | 0 | 0 | 113.6 | H219 F223 L249 P355 H356 | H219-L247 HydrophobicContact CB-CD2 4.21Å; H219-L247 VanDerWaalsContact NE2-CD1 3.33Å; H219-L247 WeakPolarHBondContact NE2-CD1 3.07Å; F223-L247 HydrophobicContact CD2-CD2 3.98Å; F223-L247 HydrophobicContact CG-CD2 4.34Å; L247-L249 PolarHBondContact O-N 3.11Å; L247-P355 HydrophobicContact CD1-CB 3.7Å; L247-P355 HydrophobicContact CD1-CG 4.07Å; L247-P355 HydrophobicContact CG-CB 4.36Å; L247-P355 HydrophobicContact CG-CG 4.19Å; L247-H356 HydrophobicContact CD2-CB 3.94Å |
| 248 | D | 78.3 | Confident | 87.7 | Confident | 92 Ų | 92 | 31.2 Ų | 31.2 | 49% | 0.492 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -67.9 | 129.1 | 175.1 | -174.5 | -6.1 | 0 | 0 | 0 | 110.3 | R244 S246 L250 S251 | R244-D248 WeakPolarHBondContact CD-O 3.43Å; S246-D248 PolarHBondContact O-N 3.07Å; S246-D248 PolarHBondContact OG-N 2.92Å; D248-L250 PolarHBondContact O-N 3Å; D248-L250 VanDerWaalsContact O-N 3.13Å; D248-L250 PolarHBondContact OD1-N 3.25Å; D248-L250 VanDerWaalsContact OD1-N 3.13Å; D248-S251 WeakPolarHBondContact O-CB 3.36Å; D248-S251 PolarHBondContact O-N 3.04Å |
| 249 | L | 72.6 | Confident | 87.6 | Confident | 85 Ų | 85 | 31.7 Ų | 31.7 | 45% | 0.445 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -25 | -179.8 | -68.4 | 174.4 | 0 | 0 | 0 | 112.8 | D222 R244 L247 | D222-L249 HydrophobicContact CB-CD2 3.86Å; R244-L249 PolarHBondContact NE-O 2.04Å; L247-L249 PolarHBondContact O-N 3.11Å |
| 250 | L | 72.9 | Confident | 87.4 | Confident | 55 Ų | 55 | 31.7 Ų | 31.7 | 29% | 0.288 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -15.7 | 179.4 | -56.3 | -178 | 0 | 0 | 0 | 113.3 | D248 T315 E1148 | D248-L250 PolarHBondContact O-N 3Å; D248-L250 VanDerWaalsContact O-N 3.13Å; D248-L250 PolarHBondContact OD1-N 3.25Å; D248-L250 VanDerWaalsContact OD1-N 3.13Å; L250-T315 PolarHBondContact O-OG1 2.97Å; L250-E1148 HydrophobicContact CB-CG 4.13Å; L250-E1148 HydrophobicContact CD1-CB 3.87Å; L250-E1148 HydrophobicContact CD1-CG 4.06Å; L250-E1148 HydrophobicContact CD2-CB 3.74Å; L250-E1148 HydrophobicContact CD2-CG 3.82Å; L250-E1148 HydrophobicContact CG-CB 4.3Å; L250-E1148 HydrophobicContact CG-CG 4.2Å |
| 251 | S | 75.8 | Confident | 87.1 | Confident | 10 Ų | 10 | 31.8 Ų | 31.8 | 7% | 0.07 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -60.2 | 132.1 | -174 | -167.5 | 0 | 0 | 0 | 0 | 112.2 | Q245 S246 D248 T315 | Q245-S251 WeakPolarHBondContact CB-OG 3.03Å; S246-S251 PolarHBondContact N-OG 3.2Å; S246-S251 WeakPolarHBondContact OG-CB 3.32Å; S246-S251 PolarHBondContact OG-OG 2.66Å; D248-S251 WeakPolarHBondContact O-CB 3.36Å; D248-S251 PolarHBondContact O-N 3.04Å; S251-T315 WeakPolarHBondContact O-CG2 3.39Å |
| 252 | P | 80.4 | Confident | 86.8 | Confident | 56 Ų | 56 | 32.1 Ų | 32.1 | 36% | 0.364 | 17% | 0.167 | S | C | . | . | P | Polyproline II helix | trans | -57 | 148 | -176.5 | 24.2 | -34.2 | 0 | 0 | 0 | 112.6 | Q245 T315 | Q245-P252 WeakPolarHBondContact CB-O 3.01Å; Q245-P252 PolarHBondContact N-O 3.33Å; P252-T315 VanDerWaalsContact CA-CG2 3.43Å; P252-T315 WeakPolarHBondContact CA-OG1 3.4Å |
| 253 | L | 86.4 | Confident | 86.5 | Confident | 34 Ų | 34 | 35 Ų | 35 | 18% | 0.178 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 144.8 | 170.2 | -67.3 | 176.2 | 0 | 0 | 0 | 109.5 | V242 R244 N286 T315 | V242-L253 HydrophobicContact CG1-CB 3.99Å; V242-L253 HydrophobicContact CG1-CD1 4.38Å; V242-L253 HydrophobicContact CG1-CD2 4.44Å; R244-L253 HydrophobicContact CG-CD2 4.05Å; L253-N286 WeakPolarHBondContact O-CB 3.38Å; L253-N286 PolarHBondContact O-ND2 3.3Å; L253-T315 HydrophobicContact CG-CG2 3.92Å |
| 254 | R | 89.8 | Confident | 86.3 | Confident | 35 Ų | 35 | 36 Ų | 36 | 13% | 0.132 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 139.5 | 177.4 | -162.9 | 171.9 | -172.8 | -163.9 | -1 | 110 | Q243 P274 E276 N286 | Q243-R254 PolarHBondContact N-O 3.09Å; Q243-R254 VanDerWaalsContact N-O 3.1Å; Q243-R254 PolarHBondContact O-N 3.2Å; Q243-R254 VanDerWaalsContact O-O 3.12Å; R254-P274 HydrophobicContact CG-CB 4.4Å; R254-P274 VanDerWaalsContact CZ-CG 3.5Å; R254-P274 VanDerWaalsContact NE-CB 3.32Å; R254-E276 IonicContact CZ-OE1 3.55Å; R254-E276 IonicContact NE-OE1 3.39Å; R254-E276 IonicContact NH2-OE1 3.18Å; R254-E276 PolarHBondContact NH2-OE1 2.88Å; R254-N286 CarbonylContact C-O 3.59Å; R254-N286 WeakPolarHBondContact CA-O 3.26Å |
| 255 | S | 94.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 131.6 | 173.9 | -59.2 | 0 | 0 | 0 | 0 | 109.6 | A241 P274 L275 N286 S287 V288 | A241-S255 CarbonylContact O-C 3.6Å; A241-S255 WeakPolarHBondContact O-CA 3.48Å; S255-P274 WeakPolarHBondContact O-CA 3.28Å; S255-L275 PolarHBondContact O-N 3.45Å; S255-N286 PolarHBondContact N-O 3.16Å; S255-N286 PolarHBondContact OG-O 3.34Å; S255-S287 WeakPolarHBondContact OG-CA 3.24Å; S255-V288 PolarHBondContact OG-N 3.47Å |
| 256 | K | 94.9 | Very high | 86.3 | Confident | 14 Ų | 14 | 36.8 Ų | 36.8 | 6% | 0.061 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 147.8 | 175.2 | -63.9 | -154.3 | -169.8 | 177.3 | 0 | 111.3 | A241 Q243 L258 E272 I273 | A241-K256 PolarHBondContact N-O 2.75Å; A241-K256 PolarHBondContact O-N 3.05Å; Q243-K256 HydrophobicContact CG-CD 4.44Å; Q243-K256 HydrophobicContact CG-CG 4.42Å; Q243-K256 VanDerWaalsContact NE2-CE 3.3Å; K256-L258 HydrophobicContact CB-CD1 4.39Å; K256-E272 HydrophobicContact CD-CB 4.15Å; K256-E272 WeakPolarHBondContact CD-OE2 3.31Å; K256-E272 IonicContact NZ-OE2 3.43Å; K256-E272 PolarHBondContact NZ-OE2 3.05Å; K256-I273 CarbonylContact C-O 3.54Å; K256-I273 WeakPolarHBondContact CA-O 3.38Å; K256-I273 WeakPolarHBondContact CB-O 3.36Å |
| 257 | L | 96 | Very high | 86.7 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 125.6 | 161.7 | -73.9 | 175.5 | 0 | 0 | 0 | 108.9 | F231 W239 V240 E272 I273 L275 F306 I334 F338 | F231-L257 HydrophobicContact CE1-CD2 4.23Å; F231-L257 HydrophobicContact CZ-CD2 4.48Å; W239-L257 WeakPolarHBondContact O-CA 3.25Å; V240-L257 HydrophobicContact CB-CD2 4.42Å; V240-L257 HydrophobicContact CG2-CD2 3.72Å; L257-E272 CarbonylContact O-C 3.47Å; L257-E272 VanDerWaalsContact O-CA 3.3Å; L257-E272 WeakPolarHBondContact O-CA 3.23Å; L257-I273 HydrophobicContact CB-CG1 4.16Å; L257-I273 PolarHBondContact N-O 2.8Å; L257-I273 PolarHBondContact O-N 3.41Å; L257-L275 HydrophobicContact CD1-CD1 4.06Å; L257-L275 HydrophobicContact CD1-CD2 3.74Å; L257-L275 HydrophobicContact CD1-CG 4.17Å; L257-L275 HydrophobicContact CD2-CD1 4.32Å; L257-L275 HydrophobicContact CG-CD1 3.79Å; L257-L275 HydrophobicContact CG-CD2 4.07Å; L257-L275 HydrophobicContact CG-CG 3.95Å; L257-F306 HydrophobicContact CD2-CE2 4.12Å; L257-I334 HydrophobicContact CD1-CD1 3.75Å; L257-I334 HydrophobicContact CD1-CG1 4.13Å; L257-I334 HydrophobicContact CD1-CG2 3.77Å; L257-F338 HydrophobicContact CB-CE2 4.3Å; L257-F338 HydrophobicContact CB-CZ 4.1Å; L257-F338 WeakPolarHBondContact O-CZ 3.42Å |
| 258 | L | 95.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 141.3 | 170.7 | -59.2 | 64.8 | 0 | 0 | 0 | 107 | V188 Y227 Y238 W239 A241 K256 Y270 S271 E272 | V188-L258 HydrophobicContact CG1-CD2 3.77Å; Y227-L258 HydrophobicContact CE1-CD2 4.15Å; Y238-L258 CarbonylContact C-O 3.36Å; Y238-L258 WeakPolarHBondContact CA-O 3.46Å; W239-L258 HydrophobicContact CB-CB 4.16Å; W239-L258 HydrophobicContact CB-CD2 4.43Å; W239-L258 HydrophobicContact CE3-CB 4.28Å; W239-L258 PolarHBondContact N-O 2.86Å; W239-L258 PolarHBondContact O-N 3.27Å; A241-L258 HydrophobicContact CB-CD1 3.5Å; A241-L258 VanDerWaalsContact CB-CD1 3.5Å; K256-L258 HydrophobicContact CB-CD1 4.39Å; L258-Y270 HydrophobicContact CB-CE2 4.13Å; L258-Y270 HydrophobicContact CD2-CE2 4.17Å; L258-Y270 WeakPolarHBondContact CD2-OH 3.21Å; L258-Y270 HydrophobicContact CG-CE2 4.44Å; L258-Y270 WeakPolarHBondContact CG-OH 3.05Å; L258-S271 CarbonylContact C-O 3.55Å; L258-S271 WeakPolarHBondContact CA-O 3.4Å; L258-E272 HydrophobicContact CG-CG 4.16Å |
| 259 | R | 93.3 | Very high | 87.4 | Confident | 10 Ų | 10 | 30 Ų | 30 | 4% | 0.038 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 140.7 | -176.8 | -175.1 | -175.5 | 71.4 | 167.3 | -1.8 | 111.3 | Y236 A237 Y238 Y270 S271 F338 E376 | Y236-R259 HydrophobicContact CD1-CG 3.74Å; Y236-R259 HydrophobicContact CG-CG 4.07Å; A237-R259 CarbonylContact O-C 3.56Å; A237-R259 WeakPolarHBondContact O-CA 3.42Å; Y238-R259 HydrophobicContact CD1-CB 3.86Å; Y238-R259 HydrophobicContact CD1-CG 3.86Å; Y238-R259 HydrophobicContact CE1-CB 3.87Å; Y238-R259 HydrophobicContact CE1-CG 3.52Å; Y238-R259 HydrophobicContact CE2-CG 4.49Å; Y238-R259 HydrophobicContact CG-CG 4.48Å; Y238-R259 WeakPolarHBondContact OH-CD 3.47Å; R259-Y270 CarbonylContact O-C 3.55Å; R259-Y270 WeakPolarHBondContact O-CA 3.44Å; R259-S271 PolarHBondContact N-O 2.92Å; R259-S271 PolarHBondContact NE-OG 2.91Å; R259-S271 PolarHBondContact O-N 3.37Å; R259-F338 HydrophobicContact CB-CD1 4.38Å; R259-F338 HydrophobicContact CB-CE1 3.64Å; R259-F338 HydrophobicContact CB-CE2 4.11Å; R259-F338 HydrophobicContact CB-CZ 3.48Å; R259-F338 VanDerWaalsContact CB-CZ 3.48Å; R259-F338 HydrophobicContact CG-CZ 4.46Å; R259-E376 IonicContact CZ-OE1 2.68Å; R259-E376 VanDerWaalsContact NH1-CD 3.34Å; R259-E376 IonicContact NH1-OE1 3.36Å; R259-E376 PolarHBondContact NH1-OE1 2.67Å; R259-E376 IonicContact NH1-OE2 3.22Å |
| 260 | V | 92.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 149.6 | 165.1 | 75.4 | 0 | 0 | 0 | 0 | 109.5 | Y171 Y236 A237 W239 D264 F267 S269 | Y171-V260 HydrophobicContact CE1-CG1 4.16Å; Y236-V260 CarbonylContact C-O 3.52Å; Y236-V260 WeakPolarHBondContact CA-O 3Å; A237-V260 HydrophobicContact CB-CG1 4.06Å; A237-V260 PolarHBondContact N-O 2.84Å; A237-V260 PolarHBondContact O-N 2.83Å; W239-V260 HydrophobicContact CH2-CG1 3.65Å; W239-V260 HydrophobicContact CZ3-CB 4.23Å; W239-V260 HydrophobicContact CZ3-CG1 3.66Å; V260-D264 HydrophobicContact CG2-CB 4.24Å; V260-F267 HydrophobicContact CG1-CE1 4.45Å; V260-F267 HydrophobicContact CG1-CZ 4.22Å; V260-F267 HydrophobicContact CG2-CB 4.46Å; V260-F267 HydrophobicContact CG2-CD1 4.24Å; V260-F267 HydrophobicContact CG2-CD2 4.09Å; V260-F267 HydrophobicContact CG2-CE2 4.37Å; V260-F267 HydrophobicContact CG2-CG 4.01Å; V260-S269 VanDerWaalsContact CG2-OG 3.29Å; V260-S269 WeakPolarHBondContact CG2-OG 3.47Å |
| 261 | C | 90.9 | Very high | 89.3 | Confident | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.014 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 140.7 | 168.9 | -84.7 | 0 | 0 | 0 | 0 | 111.7 | Y236 S263 D264 S269 C378 | Y236-C261 HydrophobicContact CD1-CB 4.46Å; Y236-C261 HydrophobicContact CE1-CB 4.5Å; Y236-C261 WeakPolarHBondContact CE1-SG 3.46Å; C261-S263 PolarHBondContact O-N 2.84Å; C261-D264 HydrophobicContact CB-CB 3.83Å; C261-D264 WeakPolarHBondContact O-CB 3.05Å; C261-D264 PolarHBondContact O-N 2.7Å; C261-D264 VanDerWaalsContact O-N 3.16Å; C261-S269 WeakPolarHBondContact CB-OG 3.27Å; C261-S269 PolarHBondContact N-OG 3.46Å; C261-C378 HydrophobicContact CB-CB 3.75Å; C261-C378 WeakPolarHBondContact CB-SG 3.14Å; C261-C378 WeakPolarHBondContact SG-CA 3.34Å; C261-C378 WeakPolarHBondContact SG-CB 3.26Å; C261-C378 CovalentContact SG-SG 2.02Å; C261-C378 PolarHBondContact SG-SG 3.03Å |
| 262 | T | 89.8 | Confident | 90.2 | Very high | 8 Ų | 8 | 23.2 Ų | 23.2 | 5% | 0.049 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -24.7 | 176.6 | 58.2 | 0 | 0 | 0 | 0 | 112.6 | P159 Y171 V232 G235 A237 D264 | P159-T262 HydrophobicContact CG-CG2 3.81Å; Y171-T262 WeakPolarHBondContact OH-CA 3.42Å; V232-T262 HydrophobicContact CG1-CG2 4.13Å; G235-T262 PolarHBondContact O-N 2.03Å; G235-T262 PolarHBondContact O-OG1 2.89Å; A237-T262 HydrophobicContact CB-CG2 4.34Å; T262-D264 VanDerWaalsContact C-N 3.34Å |
| 263 | S | 86.4 | Confident | 90.9 | Very high | 61 Ų | 61 | 20.6 Ų | 20.6 | 43% | 0.427 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -8.1 | 174.5 | 63 | 0 | 0 | 0 | 0 | 114.3 | C261 K265 C378 | C261-S263 PolarHBondContact O-N 2.84Å; S263-K265 PolarHBondContact O-N 3.17Å; S263-C378 PolarHBondContact OG-SG 2.79Å |
| 264 | D | 86.9 | Confident | 91.2 | Very high | 23 Ų | 23 | 19 Ų | 19 | 12% | 0.123 | 9% | 0.092 | C | C | . | . | trans | -85.9 | 113.7 | -175.9 | 177.2 | 9.2 | 0 | 0 | 0 | 111.4 | V260 C261 T262 R266 F267 E268 S269 | V260-D264 HydrophobicContact CG2-CB 4.24Å; C261-D264 HydrophobicContact CB-CB 3.83Å; C261-D264 WeakPolarHBondContact O-CB 3.05Å; C261-D264 PolarHBondContact O-N 2.7Å; C261-D264 VanDerWaalsContact O-N 3.16Å; T262-D264 VanDerWaalsContact C-N 3.34Å; D264-R266 PolarHBondContact OD1-N 3.09Å; D264-F267 PolarHBondContact OD1-N 3.39Å; D264-F267 VanDerWaalsContact OD1-N 3.07Å; D264-F267 VanDerWaalsContact OD2-C 3.25Å; D264-F267 WeakPolarHBondContact OD2-CA 3.48Å; D264-F267 PolarHBondContact OD2-N 3.21Å; D264-E268 PolarHBondContact OD2-N 3.44Å; D264-S269 WeakPolarHBondContact CB-OG 3.29Å; D264-S269 WeakPolarHBondContact OD2-CB 3.47Å; D264-S269 PolarHBondContact OD2-N 2.7Å; D264-S269 PolarHBondContact OD2-OG 3.4Å | ||
| 265 | K | 85.2 | Confident | 91.5 | Very high | 107 Ų | 107 | 17.4 Ų | 17.4 | 47% | 0.465 | 9% | 0.086 | S | C | . | . | S | Bend | trans | -80.2 | -17.8 | -179 | -51.5 | -166.4 | -174.8 | -167.7 | 0 | 113.1 | L161 S211 S263 | L161-K265 HydrophobicContact CD1-CD 3.62Å; L161-K265 HydrophobicContact CD1-CG 3.66Å; L161-K265 HydrophobicContact CD2-CB 4.48Å; L161-K265 HydrophobicContact CD2-CG 3.74Å; L161-K265 HydrophobicContact CG-CG 4.21Å; S211-K265 WeakPolarHBondContact CB-O 3.29Å; S211-K265 PolarHBondContact OG-O 3.47Å; S263-K265 PolarHBondContact O-N 3.17Å |
| 266 | R | 85.8 | Confident | 91.5 | Very high | 73 Ų | 73 | 19.3 Ų | 19.3 | 28% | 0.275 | 10% | 0.095 | S | C | . | . | S | Bend | trans | -124.3 | 7.2 | -166.3 | -67.2 | -177 | 171.4 | -160.2 | -14.6 | 114.4 | D203 D206 Q210 D264 E268 R382 | D203-R266 IonicContact OD2-NE 3.85Å; D206-R266 IonicContact OD1-NH2 3.37Å; D206-R266 IonicContact OD2-CZ 3.55Å; D206-R266 IonicContact OD2-NH2 2.71Å; D206-R266 PolarHBondContact OD2-NH2 2.69Å; Q210-R266 CarbonylContact O-C 3.56Å; Q210-R266 VanDerWaalsContact O-C 3.32Å; D264-R266 PolarHBondContact OD1-N 3.09Å; R266-E268 HydrophobicContact CB-CG 4.06Å; R266-E268 PolarHBondContact O-N 3.48Å; R266-R382 PolarHBondContact O-NH2 3.4Å |
| 267 | F | 89.9 | Confident | 91.5 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | S | Bend | trans | 55.6 | 33.4 | -178.9 | -81.1 | -129.9 | 0 | 0 | 0 | 112 | V188 S190 S211 M213 W239 V260 D264 S269 Y270 R382 | V188-F267 HydrophobicContact CG2-CE1 4.11Å; S190-F267 VanDerWaalsContact OG-CE2 3.23Å; S190-F267 WeakPolarHBondContact OG-CE2 3.05Å; S190-F267 VanDerWaalsContact OG-CZ 3.31Å; S190-F267 WeakPolarHBondContact OG-CZ 3.15Å; S211-F267 VanDerWaalsContact C-CD2 3.43Å; S211-F267 VanDerWaalsContact C-CE2 3.49Å; S211-F267 VanDerWaalsContact O-CE2 3.31Å; S211-F267 WeakPolarHBondContact O-CE2 3.43Å; M213-F267 HydrophobicContact CG-CD1 3.97Å; M213-F267 HydrophobicContact SD-CB 4.44Å; W239-F267 HydrophobicContact CH2-CE1 4.1Å; W239-F267 HydrophobicContact CH2-CZ 4.1Å; V260-F267 HydrophobicContact CG1-CE1 4.45Å; V260-F267 HydrophobicContact CG1-CZ 4.22Å; V260-F267 HydrophobicContact CG2-CB 4.46Å; V260-F267 HydrophobicContact CG2-CD1 4.24Å; V260-F267 HydrophobicContact CG2-CD2 4.09Å; V260-F267 HydrophobicContact CG2-CE2 4.37Å; V260-F267 HydrophobicContact CG2-CG 4.01Å; D264-F267 PolarHBondContact OD1-N 3.39Å; D264-F267 VanDerWaalsContact OD1-N 3.07Å; D264-F267 VanDerWaalsContact OD2-C 3.25Å; D264-F267 WeakPolarHBondContact OD2-CA 3.48Å; D264-F267 PolarHBondContact OD2-N 3.21Å; F267-S269 VanDerWaalsContact C-N 3.3Å; F267-Y270 HydrophobicContact CD1-CD2 4.32Å; F267-Y270 WeakPolarHBondContact O-CB 3.48Å; F267-R382 PolarHBondContact O-NE 2.88Å |
| 268 | E | 86.7 | Confident | 91.4 | Very high | 47 Ų | 47 | 20.3 Ų | 20.3 | 22% | 0.22 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -25.8 | 173.4 | -69.5 | 177.8 | -172.1 | 0 | 0 | 111.8 | D264 R266 Y270 R380 A381 R382 | D264-E268 PolarHBondContact OD2-N 3.44Å; R266-E268 HydrophobicContact CB-CG 4.06Å; R266-E268 PolarHBondContact O-N 3.48Å; E268-Y270 VanDerWaalsContact C-N 3.29Å; E268-R380 HydrophobicContact CB-CB 4.12Å; E268-R380 HydrophobicContact CB-CG 4.26Å; E268-R380 CarbonylContact O-C 3.51Å; E268-R380 WeakPolarHBondContact OE2-CD 3.44Å; E268-R380 WeakPolarHBondContact OE2-CG 3.1Å; E268-R380 IonicContact OE2-NE 3.47Å; E268-R380 PolarHBondContact OE2-NE 3.36Å; E268-A381 CarbonylContact O-C 3.5Å; E268-A381 PolarHBondContact O-N 3.01Å; E268-A381 VanDerWaalsContact O-N 3.07Å; E268-R382 PolarHBondContact O-N 3.18Å |
| 269 | S | 89.5 | Confident | 91.1 | Very high | 9 Ų | 9 | 20.3 Ų | 20.3 | 6% | 0.063 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 6.2 | 176.4 | 63 | 0 | 0 | 0 | 0 | 113.9 | V260 C261 D264 F267 S271 | V260-S269 VanDerWaalsContact CG2-OG 3.29Å; V260-S269 WeakPolarHBondContact CG2-OG 3.47Å; C261-S269 WeakPolarHBondContact CB-OG 3.27Å; C261-S269 PolarHBondContact N-OG 3.46Å; D264-S269 WeakPolarHBondContact CB-OG 3.29Å; D264-S269 WeakPolarHBondContact OD2-CB 3.47Å; D264-S269 PolarHBondContact OD2-N 2.7Å; D264-S269 PolarHBondContact OD2-OG 3.4Å; F267-S269 VanDerWaalsContact C-N 3.3Å; S269-S271 PolarHBondContact O-N 3.14Å; S269-S271 PolarHBondContact O-OG 3.42Å |
| 270 | Y | 92.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -60.5 | 119.3 | -178 | 179.7 | -93.1 | 0 | 0 | 0 | 111.2 | V188 M213 L258 R259 F267 E268 E272 L354 F357 R382 V383 | V188-Y270 HydrophobicContact CG2-CD2 4.2Å; V188-Y270 HydrophobicContact CG2-CE2 3.61Å; M213-Y270 HydrophobicContact CE-CD1 3.76Å; M213-Y270 HydrophobicContact CE-CE1 4.1Å; M213-Y270 HydrophobicContact CE-CG 4.23Å; M213-Y270 HydrophobicContact CG-CD1 4.15Å; M213-Y270 HydrophobicContact CG-CD2 3.78Å; M213-Y270 HydrophobicContact CG-CE1 4.42Å; M213-Y270 HydrophobicContact CG-CE2 4.08Å; M213-Y270 HydrophobicContact CG-CG 3.8Å; M213-Y270 HydrophobicContact SD-CD1 4.27Å; M213-Y270 HydrophobicContact SD-CG 4.13Å; L258-Y270 HydrophobicContact CB-CE2 4.13Å; L258-Y270 HydrophobicContact CD2-CE2 4.17Å; L258-Y270 WeakPolarHBondContact CD2-OH 3.21Å; L258-Y270 HydrophobicContact CG-CE2 4.44Å; L258-Y270 WeakPolarHBondContact CG-OH 3.05Å; R259-Y270 CarbonylContact O-C 3.55Å; R259-Y270 WeakPolarHBondContact O-CA 3.44Å; F267-Y270 HydrophobicContact CD1-CD2 4.32Å; F267-Y270 WeakPolarHBondContact O-CB 3.48Å; E268-Y270 VanDerWaalsContact C-N 3.29Å; Y270-E272 HydrophobicContact CE1-CG 3.68Å; Y270-E272 WeakPolarHBondContact CE1-OE1 3.25Å; Y270-E272 WeakPolarHBondContact OH-CG 3.39Å; Y270-E272 PolarHBondContact OH-OE1 2.92Å; Y270-L354 HydrophobicContact CD1-CD1 4.05Å; Y270-L354 HydrophobicContact CE1-CD1 4.13Å; Y270-L354 HydrophobicContact CE1-CD2 4.19Å; Y270-F357 HydrophobicContact CE1-CD2 4.25Å; Y270-F357 AromaticContact CE1-CE2 3.72Å; Y270-F357 HydrophobicContact CE1-CE2 3.72Å; Y270-F357 AromaticContact CZ-CE2 3.85Å; Y270-R382 WeakPolarHBondContact O-CA 3.25Å; Y270-V383 PolarHBondContact O-N 2.9Å | ||
| 271 | S | 92.4 | Very high | 90.1 | Very high | 9 Ų | 9 | 30 Ų | 30 | 6% | 0.063 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 150.1 | 179.1 | 40.5 | 0 | 0 | 0 | 0 | 111.4 | L258 R259 S269 F338 V383 | L258-S271 CarbonylContact C-O 3.55Å; L258-S271 WeakPolarHBondContact CA-O 3.4Å; R259-S271 PolarHBondContact N-O 2.92Å; R259-S271 PolarHBondContact NE-OG 2.91Å; R259-S271 PolarHBondContact O-N 3.37Å; S269-S271 PolarHBondContact O-N 3.14Å; S269-S271 PolarHBondContact O-OG 3.42Å; S271-F338 WeakPolarHBondContact OG-CD1 3.25Å; S271-V383 CarbonylContact C-O 3.56Å; S271-V383 WeakPolarHBondContact CA-O 3.36Å; S271-V383 WeakPolarHBondContact CB-O 3.3Å |
| 272 | E | 94.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 139.1 | 174.9 | -55.3 | -176.5 | -173.9 | 0 | 0 | 109.8 | Q243 K256 L257 L258 Y270 L354 H356 V383 G385 | Q243-E272 PolarHBondContact NE2-OE2 3.3Å; K256-E272 HydrophobicContact CD-CB 4.15Å; K256-E272 WeakPolarHBondContact CD-OE2 3.31Å; K256-E272 IonicContact NZ-OE2 3.43Å; K256-E272 PolarHBondContact NZ-OE2 3.05Å; L257-E272 CarbonylContact O-C 3.47Å; L257-E272 VanDerWaalsContact O-CA 3.3Å; L257-E272 WeakPolarHBondContact O-CA 3.23Å; L258-E272 HydrophobicContact CG-CG 4.16Å; Y270-E272 HydrophobicContact CE1-CG 3.68Å; Y270-E272 WeakPolarHBondContact CE1-OE1 3.25Å; Y270-E272 WeakPolarHBondContact OH-CG 3.39Å; Y270-E272 PolarHBondContact OH-OE1 2.92Å; E272-L354 HydrophobicContact CB-CD2 4.41Å; E272-L354 HydrophobicContact CG-CD2 3.78Å; E272-L354 WeakPolarHBondContact OE1-CD2 3.47Å; E272-H356 IonicContact OE1-CE1 3.95Å; E272-H356 IonicContact OE1-NE2 2.69Å; E272-H356 PolarHBondContact OE1-NE2 2.98Å; E272-H356 IonicContact OE2-CE1 3.55Å; E272-H356 IonicContact OE2-NE2 2.88Å; E272-V383 PolarHBondContact N-O 3.12Å; E272-G385 WeakPolarHBondContact O-CA 3.47Å; E272-G385 PolarHBondContact O-N 3.45Å |
| 273 | I | 94.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 148.2 | 165.7 | 64.8 | 172.4 | 0 | 0 | 0 | 110.7 | K256 L257 I334 A337 F338 N341 A389 | K256-I273 CarbonylContact C-O 3.54Å; K256-I273 WeakPolarHBondContact CA-O 3.38Å; K256-I273 WeakPolarHBondContact CB-O 3.36Å; L257-I273 HydrophobicContact CB-CG1 4.16Å; L257-I273 PolarHBondContact N-O 2.8Å; L257-I273 PolarHBondContact O-N 3.41Å; I273-I334 HydrophobicContact CD1-CG2 4.18Å; I273-A337 HydrophobicContact CD1-CB 3.76Å; I273-F338 HydrophobicContact CB-CE1 4.34Å; I273-F338 HydrophobicContact CB-CZ 4.38Å; I273-F338 HydrophobicContact CD1-CD2 3.61Å; I273-F338 HydrophobicContact CD1-CE2 3.51Å; I273-F338 HydrophobicContact CD1-CG 4.18Å; I273-F338 HydrophobicContact CD1-CZ 4.05Å; I273-F338 HydrophobicContact CG1-CD1 4.48Å; I273-F338 HydrophobicContact CG1-CD2 4.11Å; I273-F338 HydrophobicContact CG1-CE1 4.07Å; I273-F338 HydrophobicContact CG1-CE2 3.64Å; I273-F338 HydrophobicContact CG1-CG 4.49Å; I273-F338 HydrophobicContact CG1-CZ 3.63Å; I273-F338 HydrophobicContact CG2-CD1 3.58Å; I273-F338 HydrophobicContact CG2-CD2 4.36Å; I273-F338 HydrophobicContact CG2-CE1 3.74Å; I273-F338 HydrophobicContact CG2-CE2 4.49Å; I273-F338 HydrophobicContact CG2-CG 3.9Å; I273-F338 HydrophobicContact CG2-CZ 4.2Å; I273-N341 WeakPolarHBondContact CG2-ND2 3.45Å; I273-A389 HydrophobicContact CD1-CB 4.12Å |
| 274 | P | 94.7 | Very high | 89.4 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 147.6 | 170.8 | -4.8 | 19.2 | 0 | 0 | 0 | 112.3 | R254 S255 G385 P388 A389 | R254-P274 HydrophobicContact CG-CB 4.4Å; R254-P274 VanDerWaalsContact CZ-CG 3.5Å; R254-P274 VanDerWaalsContact NE-CB 3.32Å; S255-P274 WeakPolarHBondContact O-CA 3.28Å; P274-G385 WeakPolarHBondContact CD-O 3.42Å; P274-P388 HydrophobicContact CB-CB 4.06Å; P274-P388 HydrophobicContact CG-CB 4.33Å; P274-P388 CarbonylContact O-C 3.32Å; P274-P388 VanDerWaalsContact O-CA 3.24Å; P274-P388 WeakPolarHBondContact O-CA 3.29Å; P274-A389 PolarHBondContact O-N 3.27Å |
| 275 | L | 95.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 130.1 | 166 | -66.3 | -175.7 | 0 | 0 | 0 | 109.3 | S255 L257 F306 F310 F329 A389 | S255-L275 PolarHBondContact O-N 3.45Å; L257-L275 HydrophobicContact CD1-CD1 4.06Å; L257-L275 HydrophobicContact CD1-CD2 3.74Å; L257-L275 HydrophobicContact CD1-CG 4.17Å; L257-L275 HydrophobicContact CD2-CD1 4.32Å; L257-L275 HydrophobicContact CG-CD1 3.79Å; L257-L275 HydrophobicContact CG-CD2 4.07Å; L257-L275 HydrophobicContact CG-CG 3.95Å; L275-F306 HydrophobicContact CD1-CD1 4.28Å; L275-F306 HydrophobicContact CD1-CE1 3.71Å; L275-F306 HydrophobicContact CD1-CZ 3.97Å; L275-F310 HydrophobicContact CB-CE1 4.08Å; L275-F310 HydrophobicContact CB-CZ 4.19Å; L275-F310 HydrophobicContact CD1-CE1 4.45Å; L275-F310 HydrophobicContact CD1-CZ 4.06Å; L275-F329 HydrophobicContact CB-CZ 4.46Å; L275-F329 HydrophobicContact CD2-CD1 4.39Å; L275-F329 HydrophobicContact CD2-CE1 4.34Å; L275-A389 HydrophobicContact CD2-CB 3.92Å |
| 276 | E | 93.8 | Very high | 89.9 | Confident | 40 Ų | 40 | 30.8 Ų | 30.8 | 19% | 0.187 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 117 | 174.7 | -65.7 | -172.9 | 160.2 | 0 | 0 | 110.7 | R254 L278 F329 P388 A389 T390 S391 | R254-E276 IonicContact CZ-OE1 3.55Å; R254-E276 IonicContact NE-OE1 3.39Å; R254-E276 IonicContact NH2-OE1 3.18Å; R254-E276 PolarHBondContact NH2-OE1 2.88Å; E276-L278 HydrophobicContact CB-CD2 4.27Å; E276-L278 HydrophobicContact CB-CG 4.43Å; E276-F329 WeakPolarHBondContact O-CE1 3.11Å; E276-F329 WeakPolarHBondContact O-CZ 3.31Å; E276-P388 HydrophobicContact CB-CB 4.41Å; E276-P388 HydrophobicContact CG-CB 3.69Å; E276-P388 HydrophobicContact CG-CG 4.12Å; E276-P388 WeakPolarHBondContact OE2-CG 3.41Å; E276-A389 PolarHBondContact N-O 3.49Å; E276-T390 HydrophobicContact CB-CG2 4.15Å; E276-T390 WeakPolarHBondContact O-CA 3.33Å; E276-S391 PolarHBondContact O-N 2.99Å |
| 277 | C | 95.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 105.7 | 173.8 | -179.6 | 0 | 0 | 0 | 0 | 108 | N284 Y285 F310 C327 | C277-N284 PolarHBondContact N-OD1 3.42Å; C277-N284 PolarHBondContact O-OD1 3.06Å; C277-Y285 PolarHBondContact O-N 3.2Å; C277-F310 HydrophobicContact CB-CB 3.94Å; C277-F310 HydrophobicContact CB-CD1 3.9Å; C277-F310 HydrophobicContact CB-CD2 3.57Å; C277-F310 HydrophobicContact CB-CE1 4.28Å; C277-F310 HydrophobicContact CB-CE2 4.01Å; C277-F310 HydrophobicContact CB-CG 3.52Å; C277-F310 HydrophobicContact CB-CZ 4.34Å; C277-C327 WeakPolarHBondContact CA-SG 3.37Å; C277-C327 HydrophobicContact CB-CB 3.72Å; C277-C327 WeakPolarHBondContact CB-SG 3.18Å; C277-C327 WeakPolarHBondContact SG-CB 3.33Å; C277-C327 CovalentContact SG-SG 2.02Å; C277-C327 PolarHBondContact SG-SG 3.48Å |
| 278 | L | 93.9 | Very high | 90.4 | Very high | 35 Ų | 35 | 27.3 Ų | 27.3 | 18% | 0.183 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 131.1 | -171.1 | -58.5 | 179.1 | 0 | 0 | 0 | 111 | E276 S283 N284 S391 I392 A393 | E276-L278 HydrophobicContact CB-CD2 4.27Å; E276-L278 HydrophobicContact CB-CG 4.43Å; L278-S283 CarbonylContact C-O 3.47Å; L278-S283 WeakPolarHBondContact CA-O 3.44Å; L278-N284 HydrophobicContact CD2-CB 3.92Å; L278-S391 PolarHBondContact N-O 3.34Å; L278-I392 CarbonylContact O-C 3.53Å; L278-I392 WeakPolarHBondContact O-CA 3.32Å; L278-A393 PolarHBondContact O-N 3.12Å |
| 279 | G | 88.6 | Confident | 90.6 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | trans | -68.4 | 166.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D281 N282 S283 M396 | G279-D281 PolarHBondContact O-N 2.78Å; G279-D281 VanDerWaalsContact O-N 3.11Å; G279-N282 WeakPolarHBondContact O-CA 3.29Å; G279-N282 PolarHBondContact O-N 3.39Å; G279-S283 PolarHBondContact N-O 3.16Å; G279-M396 VanDerWaalsContact CA-SD 3.59Å | ||
| 280 | P | 83.3 | Confident | 90.9 | Very high | 100 Ų | 100 | 26 Ų | 26 | 65% | 0.649 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -22.3 | 172.8 | -21.2 | 31.6 | 0 | 0 | 0 | 114.1 | N282 M396 | P280-N282 VanDerWaalsContact C-N 3.34Å; P280-M396 WeakPolarHBondContact CD-SD 3.34Å; P280-M396 HydrophobicContact CG-CE 3.72Å; P280-M396 HydrophobicContact CG-SD 4.38Å |
| 281 | D | 82.7 | Confident | 91 | Very high | 112 Ų | 112 | 28 Ų | 28 | 60% | 0.599 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 8.9 | 175.8 | 67.7 | -25.2 | 0 | 0 | 0 | 113.3 | G279 S283 | G279-D281 PolarHBondContact O-N 2.78Å; G279-D281 VanDerWaalsContact O-N 3.11Å; D281-S283 PolarHBondContact O-N 3.02Å; D281-S283 VanDerWaalsContact OD1-CB 3.24Å; D281-S283 WeakPolarHBondContact OD1-CB 3.45Å; D281-S283 PolarHBondContact OD1-N 3.44Å; D281-S283 PolarHBondContact OD1-OG 3.05Å; D281-S283 WeakPolarHBondContact OD2-CB 3.29Å; D281-S283 PolarHBondContact OD2-OG 3.19Å |
| 282 | N | 82 | Confident | 91.2 | Very high | 129 Ų | 129 | 30.2 Ų | 30.2 | 69% | 0.69 | 16% | 0.162 | S | C | * | . | trans | 61.3 | 18.6 | -170.5 | -65.1 | -25.5 | 0 | 0 | 0 | 114.8 | G279 P280 N284 | G279-N282 WeakPolarHBondContact O-CA 3.29Å; G279-N282 PolarHBondContact O-N 3.39Å; P280-N282 VanDerWaalsContact C-N 3.34Å; N282-N284 PolarHBondContact O-N 3.04Å | ||
| 283 | S | 82.5 | Confident | 91.2 | Very high | 19 Ų | 19 | 31.7 Ų | 31.7 | 13% | 0.133 | 17% | 0.171 | C | C | . | . | trans | -70.9 | 129.2 | 171.7 | 64.9 | 0 | 0 | 0 | 0 | 110.7 | L278 G279 D281 | L278-S283 CarbonylContact C-O 3.47Å; L278-S283 WeakPolarHBondContact CA-O 3.44Å; G279-S283 PolarHBondContact N-O 3.16Å; D281-S283 PolarHBondContact O-N 3.02Å; D281-S283 VanDerWaalsContact OD1-CB 3.24Å; D281-S283 WeakPolarHBondContact OD1-CB 3.45Å; D281-S283 PolarHBondContact OD1-N 3.44Å; D281-S283 PolarHBondContact OD1-OG 3.05Å; D281-S283 WeakPolarHBondContact OD2-CB 3.29Å; D281-S283 PolarHBondContact OD2-OG 3.19Å | ||
| 284 | N | 88.1 | Confident | 91.1 | Very high | 49 Ų | 49 | 31.9 Ų | 31.9 | 26% | 0.262 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 121.7 | -177.3 | -171.3 | 3.1 | 0 | 0 | 0 | 111.5 | C277 L278 N282 N286 | C277-N284 PolarHBondContact N-OD1 3.42Å; C277-N284 PolarHBondContact O-OD1 3.06Å; L278-N284 HydrophobicContact CD2-CB 3.92Å; N282-N284 PolarHBondContact O-N 3.04Å; N284-N286 PolarHBondContact O-N 2.91Å |
| 285 | Y | 92.2 | Very high | 90.9 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 96.1 | 169.3 | -65 | -101.5 | 0 | 0 | 0 | 108.2 | C277 F310 K312 Q323 S324 A325 M396 | C277-Y285 PolarHBondContact O-N 3.2Å; Y285-F310 WeakPolarHBondContact O-CB 3.33Å; Y285-F310 VanDerWaalsContact O-CD1 3.26Å; Y285-F310 WeakPolarHBondContact O-CD1 3.27Å; Y285-K312 HydrophobicContact CD1-CB 4.23Å; Y285-Q323 HydrophobicContact CE1-CB 3.88Å; Y285-S324 VanDerWaalsContact CE1-C 3.48Å; Y285-A325 HydrophobicContact CD1-CB 3.65Å; Y285-A325 HydrophobicContact CD2-CB 3.55Å; Y285-A325 HydrophobicContact CE1-CB 3.86Å; Y285-A325 HydrophobicContact CE2-CB 3.79Å; Y285-A325 HydrophobicContact CG-CB 3.49Å; Y285-A325 VanDerWaalsContact CG-CB 3.49Å; Y285-M396 HydrophobicContact CE2-CG 4.29Å; Y285-M396 HydrophobicContact CE2-SD 3.97Å; Y285-M396 PolarHBondContact OH-SD 3.47Å |
| 286 | N | 88.9 | Confident | 90.6 | Very high | 17 Ų | 17 | 34.3 Ų | 34.3 | 9% | 0.091 | 19% | 0.188 | C | C | . | . | trans | -86.2 | -13.6 | -159.8 | 62.3 | -26.1 | 0 | 0 | 0 | 115.8 | L253 R254 S255 N284 A311 E313 | L253-N286 WeakPolarHBondContact O-CB 3.38Å; L253-N286 PolarHBondContact O-ND2 3.3Å; R254-N286 CarbonylContact C-O 3.59Å; R254-N286 WeakPolarHBondContact CA-O 3.26Å; S255-N286 PolarHBondContact N-O 3.16Å; S255-N286 PolarHBondContact OG-O 3.34Å; N284-N286 PolarHBondContact O-N 2.91Å; N286-A311 PolarHBondContact N-O 2.89Å; N286-A311 PolarHBondContact OD1-O 3.13Å; N286-E313 PolarHBondContact ND2-O 2.87Å; N286-E313 PolarHBondContact OD1-N 2.95Å; N286-E313 PolarHBondContact OD1-O 3.3Å | ||
| 287 | S | 91.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 105.2 | -171.1 | -175.7 | 0 | 0 | 0 | 0 | 113 | S255 Q289 F310 A311 E313 | S255-S287 WeakPolarHBondContact OG-CA 3.24Å; S287-Q289 PolarHBondContact O-NE2 3.09Å; S287-Q289 PolarHBondContact OG-NE2 3.24Å; S287-Q289 VanDerWaalsContact OG-NE2 3.12Å; S287-F310 CarbonylContact O-C 3.52Å; S287-F310 WeakPolarHBondContact O-CA 3.14Å; S287-A311 PolarHBondContact N-O 2.71Å; S287-A311 PolarHBondContact O-N 2.95Å; S287-E313 VanDerWaalsContact CB-OE2 3.25Å; S287-E313 WeakPolarHBondContact CB-OE2 3.36Å; S287-E313 VanDerWaalsContact OG-CD 3.23Å; S287-E313 PolarHBondContact OG-OE2 3.27Å |
| 288 | V | 94.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 133.6 | 177.2 | 65.3 | 0 | 0 | 0 | 0 | 111.2 | K228 V240 V242 S255 L309 F310 | K228-V288 WeakPolarHBondContact CE-O 3.44Å; K228-V288 HydrophobicContact CG-CG1 4.2Å; V240-V288 HydrophobicContact CG1-CB 4.46Å; V240-V288 HydrophobicContact CG1-CG1 3.43Å; V240-V288 VanDerWaalsContact CG1-CG1 3.43Å; V240-V288 HydrophobicContact CG1-CG2 4.29Å; V242-V288 HydrophobicContact CG2-CG1 3.79Å; S255-V288 PolarHBondContact OG-N 3.47Å; V288-L309 CarbonylContact C-O 3.58Å; V288-L309 WeakPolarHBondContact CA-O 3.34Å; V288-F310 HydrophobicContact CB-CD1 4.02Å; V288-F310 HydrophobicContact CB-CE1 3.89Å; V288-F310 HydrophobicContact CB-CZ 4.36Å; V288-F310 HydrophobicContact CG2-CE1 4.39Å; V288-F310 HydrophobicContact CG2-CZ 4.39Å |
| 289 | Q | 92.8 | Very high | 88.6 | Confident | 22 Ų | 22 | 40.5 Ų | 40.5 | 10% | 0.103 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | -45.8 | -175.1 | -58.1 | -55.9 | -49 | 0 | 0 | 112.2 | S287 L309 A311 E313 L402 | S287-Q289 PolarHBondContact O-NE2 3.09Å; S287-Q289 PolarHBondContact OG-NE2 3.24Å; S287-Q289 VanDerWaalsContact OG-NE2 3.12Å; Q289-L309 PolarHBondContact N-O 3.4Å; Q289-A311 HydrophobicContact CG-CB 3.79Å; Q289-E313 PolarHBondContact NE2-OE1 3.47Å; Q289-L402 WeakPolarHBondContact CB-O 3.08Å |
| 290 | A | 94.3 | Very high | 88.4 | Confident | 7 Ų | 7 | 41.5 Ų | 41.5 | 6% | 0.058 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 162.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | L309 T403 I405 P455 | A290-L309 HydrophobicContact CB-CD1 4.3Å; A290-L309 PolarHBondContact O-N 3.1Å; A290-T403 WeakPolarHBondContact CB-O 3.34Å; A290-I405 HydrophobicContact CB-CG2 4.26Å; A290-P455 HydrophobicContact CB-CB 4.27Å |
| 291 | F | 96 | Very high | 88.1 | Confident | 41 Ų | 41 | 38.6 Ų | 38.6 | 18% | 0.18 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 161.2 | -176.7 | 65.7 | -86.5 | 0 | 0 | 0 | 111.7 | K228 F231 V240 V293 F306 V307 | K228-F291 HydrophobicContact CB-CE1 4.42Å; F231-F291 AromaticContact CD1-CE2 3.83Å; F231-F291 HydrophobicContact CD1-CE2 3.83Å; F231-F291 HydrophobicContact CE1-CE2 4.38Å; V240-F291 HydrophobicContact CB-CD1 4.11Å; V240-F291 HydrophobicContact CB-CE1 3.75Å; V240-F291 HydrophobicContact CB-CZ 4.21Å; V240-F291 HydrophobicContact CG1-CD1 4.09Å; V240-F291 HydrophobicContact CG1-CE1 4.22Å; V240-F291 HydrophobicContact CG2-CD1 3.82Å; V240-F291 HydrophobicContact CG2-CD2 4.18Å; V240-F291 HydrophobicContact CG2-CE1 3.49Å; V240-F291 VanDerWaalsContact CG2-CE1 3.49Å; V240-F291 HydrophobicContact CG2-CE2 3.87Å; V240-F291 HydrophobicContact CG2-CG 4.16Å; V240-F291 HydrophobicContact CG2-CZ 3.53Å; F291-V293 HydrophobicContact CD2-CG2 3.94Å; F291-V293 HydrophobicContact CE2-CG2 4.22Å; F291-F306 HydrophobicContact CB-CE1 4.11Å; F291-F306 HydrophobicContact CB-CE2 3.78Å; F291-F306 HydrophobicContact CB-CZ 3.48Å; F291-F306 VanDerWaalsContact CB-CZ 3.48Å; F291-F306 HydrophobicContact CD1-CZ 4.46Å; F291-F306 HydrophobicContact CD2-CD2 4.29Å; F291-F306 AromaticContact CD2-CE2 3.6Å; F291-F306 HydrophobicContact CD2-CE2 3.6Å; F291-F306 HydrophobicContact CD2-CZ 4.18Å; F291-F306 HydrophobicContact CE2-CE2 4.36Å; F291-F306 AromaticContact CG-CE2 3.7Å; F291-F306 HydrophobicContact CG-CE2 3.7Å; F291-F306 AromaticContact CG-CZ 3.79Å; F291-F306 HydrophobicContact CG-CZ 3.79Å; F291-V307 CarbonylContact C-O 3.29Å; F291-V307 WeakPolarHBondContact CA-O 3.49Å |
| 292 | Y | 95.2 | Very high | 87.9 | Confident | 57 Ų | 57 | 39.3 Ų | 39.3 | 22% | 0.224 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 140.8 | 170.1 | 169.9 | -94 | 0 | 0 | 0 | 109.2 | V307 V407 | Y292-V307 HydrophobicContact CD1-CG2 4.37Å; Y292-V307 PolarHBondContact N-O 3.07Å; Y292-V307 PolarHBondContact O-N 3.22Å; Y292-V407 HydrophobicContact CD1-CB 3.72Å; Y292-V407 HydrophobicContact CD1-CG1 4.21Å; Y292-V407 HydrophobicContact CD1-CG2 3.44Å; Y292-V407 VanDerWaalsContact CD1-CG2 3.44Å; Y292-V407 HydrophobicContact CD2-CB 4.11Å; Y292-V407 HydrophobicContact CD2-CG2 4.12Å; Y292-V407 HydrophobicContact CE1-CB 3.78Å; Y292-V407 HydrophobicContact CE1-CG1 3.99Å; Y292-V407 HydrophobicContact CE1-CG2 4.05Å; Y292-V407 HydrophobicContact CE2-CB 4.17Å; Y292-V407 HydrophobicContact CG-CB 3.88Å; Y292-V407 HydrophobicContact CG-CG2 3.48Å; Y292-V407 VanDerWaalsContact CG-CG2 3.48Å |
| 293 | V | 94.6 | Very high | 88 | Confident | 31 Ų | 31 | 36 Ų | 36 | 19% | 0.188 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 127.3 | 171.3 | -173.2 | 0 | 0 | 0 | 0 | 109.6 | F231 F291 Y305 F306 M331 | F231-V293 HydrophobicContact CD1-CB 4.4Å; F231-V293 HydrophobicContact CD1-CG2 3.59Å; F231-V293 HydrophobicContact CD2-CB 4.08Å; F231-V293 HydrophobicContact CD2-CG1 3.77Å; F231-V293 HydrophobicContact CD2-CG2 3.98Å; F231-V293 HydrophobicContact CE1-CG2 3.61Å; F231-V293 HydrophobicContact CE2-CB 4.36Å; F231-V293 HydrophobicContact CE2-CG1 3.81Å; F231-V293 HydrophobicContact CE2-CG2 3.99Å; F231-V293 HydrophobicContact CG-CB 4.1Å; F231-V293 HydrophobicContact CG-CG1 4.31Å; F231-V293 HydrophobicContact CG-CG2 3.78Å; F231-V293 HydrophobicContact CZ-CG1 4.39Å; F231-V293 HydrophobicContact CZ-CG2 3.81Å; F291-V293 HydrophobicContact CD2-CG2 3.94Å; F291-V293 HydrophobicContact CE2-CG2 4.22Å; V293-Y305 WeakPolarHBondContact CA-O 3.3Å; V293-F306 HydrophobicContact CG2-CB 4.45Å; V293-F306 HydrophobicContact CG2-CD2 3.55Å; V293-F306 HydrophobicContact CG2-CE2 4.22Å; V293-F306 HydrophobicContact CG2-CG 4.37Å; V293-M331 HydrophobicContact CG1-CG 4.44Å; V293-M331 HydrophobicContact CG1-SD 4.29Å |
| 294 | G | 92.2 | Very high | 88.5 | Confident | 5 Ų | 5 | 38.5 Ų | 38.5 | 5% | 0.052 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167 | -176.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | H304 Y305 | G294-H304 WeakPolarHBondContact O-CA 3.35Å; G294-Y305 PolarHBondContact N-O 3.4Å; G294-Y305 PolarHBondContact O-N 2.87Å |
| 295 | P | 90.6 | Very high | 88.8 | Confident | 46 Ų | 46 | 37 Ų | 37 | 30% | 0.299 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 153.3 | 171.9 | 19.1 | -19 | 0 | 0 | 0 | 110.5 | Q409 | P295-Q409 VanDerWaalsContact C-NE2 3.27Å; P295-Q409 PolarHBondContact O-NE2 2.8Å |
| 296 | L | 88.5 | Confident | 89 | Confident | 5 Ų | 5 | 36.8 Ų | 36.8 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | trans | -104.2 | 172.7 | 165.7 | -55.2 | -179.8 | 0 | 0 | 0 | 108.1 | F300 Y305 V307 L328 V407 T415 L431 | L296-F300 HydrophobicContact CB-CB 3.77Å; L296-F300 HydrophobicContact CB-CD2 3.91Å; L296-F300 HydrophobicContact CB-CG 3.95Å; L296-F300 HydrophobicContact CD1-CB 4.16Å; L296-F300 HydrophobicContact CD1-CD1 4.12Å; L296-F300 HydrophobicContact CD1-CD2 4.33Å; L296-F300 HydrophobicContact CD1-CG 3.92Å; L296-Y305 HydrophobicContact CB-CD2 4.38Å; L296-Y305 HydrophobicContact CD1-CD1 4.03Å; L296-Y305 HydrophobicContact CD1-CD2 3.49Å; L296-Y305 VanDerWaalsContact CD1-CD2 3.49Å; L296-Y305 HydrophobicContact CD1-CE1 4.5Å; L296-Y305 HydrophobicContact CD1-CE2 4.01Å; L296-Y305 HydrophobicContact CD1-CG 3.49Å; L296-Y305 VanDerWaalsContact CD1-CG 3.49Å; L296-Y305 HydrophobicContact CG-CD2 3.67Å; L296-Y305 HydrophobicContact CG-CE2 4.4Å; L296-Y305 HydrophobicContact CG-CG 3.95Å; L296-V307 HydrophobicContact CD2-CG2 4.01Å; L296-L328 HydrophobicContact CD1-CD2 3.94Å; L296-V407 HydrophobicContact CD2-CG1 4.14Å; L296-T415 HydrophobicContact CB-CG2 4.47Å; L296-T415 HydrophobicContact CD2-CG2 4.12Å; L296-L431 HydrophobicContact CD1-CD2 4Å | ||
| 297 | G | 80.6 | Confident | 89.4 | Confident | 3 Ų | 3 | 36 Ų | 36 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | trans | -55.5 | 162.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D299 F300 G413 T415 | G297-D299 PolarHBondContact O-N 3.49Å; G297-F300 PolarHBondContact O-N 3.24Å; G297-G413 CarbonylContact C-O 3.57Å; G297-G413 VanDerWaalsContact C-O 3.24Å; G297-G413 VanDerWaalsContact CA-O 3.27Å; G297-G413 WeakPolarHBondContact CA-O 3.3Å; G297-T415 PolarHBondContact N-OG1 3.09Å | ||
| 298 | S | 80.7 | Confident | 89.5 | Confident | 91 Ų | 91 | 36 Ų | 36 | 64% | 0.636 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -54.3 | -23.1 | -171 | 55.7 | 0 | 0 | 0 | 0 | 114.8 | F300 G301 G413 | S298-F300 PolarHBondContact O-N 2.9Å; S298-G301 PolarHBondContact O-N 3.39Å; S298-G301 VanDerWaalsContact O-N 3.1Å; S298-G413 PolarHBondContact N-O 3.17Å; S298-G413 WeakPolarHBondContact OG-CA 3.24Å |
| 299 | D | 81.1 | Confident | 89.6 | Confident | 112 Ų | 112 | 36 Ų | 36 | 60% | 0.599 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -60.8 | -21.7 | 176.4 | -64.4 | -9.3 | 0 | 0 | 0 | 113.3 | G297 G413 | G297-D299 PolarHBondContact O-N 3.49Å; D299-G413 VanDerWaalsContact CG-O 3.29Å; D299-G413 PolarHBondContact N-O 3.08Å |
| 300 | F | 83 | Confident | 89.7 | Confident | 22 Ų | 22 | 34.9 Ų | 34.9 | 10% | 0.096 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -104.6 | 6.9 | 179.4 | -63.6 | -86.7 | 0 | 0 | 0 | 113.2 | L296 G297 S298 Y305 L431 T434 | L296-F300 HydrophobicContact CB-CB 3.77Å; L296-F300 HydrophobicContact CB-CD2 3.91Å; L296-F300 HydrophobicContact CB-CG 3.95Å; L296-F300 HydrophobicContact CD1-CB 4.16Å; L296-F300 HydrophobicContact CD1-CD1 4.12Å; L296-F300 HydrophobicContact CD1-CD2 4.33Å; L296-F300 HydrophobicContact CD1-CG 3.92Å; G297-F300 PolarHBondContact O-N 3.24Å; S298-F300 PolarHBondContact O-N 2.9Å; F300-Y305 HydrophobicContact CB-CE2 3.88Å; F300-Y305 PolarHBondContact O-OH 3.41Å; F300-L431 HydrophobicContact CD1-CD2 4.43Å; F300-L431 HydrophobicContact CD2-CD2 4.31Å; F300-L431 HydrophobicContact CE1-CD2 3.75Å; F300-L431 HydrophobicContact CE1-CG 4.12Å; F300-L431 HydrophobicContact CE2-CB 4.42Å; F300-L431 HydrophobicContact CE2-CD2 3.62Å; F300-L431 HydrophobicContact CE2-CG 4.06Å; F300-L431 HydrophobicContact CZ-CB 4.22Å; F300-L431 HydrophobicContact CZ-CD2 3.32Å; F300-L431 HydrophobicContact CZ-CG 3.48Å; F300-L431 VanDerWaalsContact CZ-CG 3.48Å; F300-T434 HydrophobicContact CD1-CG2 4.29Å; F300-T434 HydrophobicContact CE1-CG2 4.3Å |
| 301 | G | 78.1 | Confident | 89.6 | Confident | 38 Ų | 38 | 34.7 Ų | 34.7 | 39% | 0.392 | 21% | 0.205 | S | C | . | . | trans | 74.6 | -177.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S298 Q303 | S298-G301 PolarHBondContact O-N 3.39Å; S298-G301 VanDerWaalsContact O-N 3.1Å; G301-Q303 VanDerWaalsContact C-N 3.27Å; G301-Q303 PolarHBondContact O-N 3.22Å | ||
| 302 | S | 77.4 | Confident | 89.2 | Confident | 127 Ų | 127 | 36.5 Ų | 36.5 | 89% | 0.888 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -84.9 | 11.1 | -174.8 | 63 | 0 | 0 | 0 | 0 | 114.6 | ||
| 303 | Q | 84.7 | Confident | 88.4 | Confident | 61 Ų | 61 | 36.2 Ų | 36.2 | 29% | 0.285 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -88.8 | 155.4 | -177.6 | 68.8 | -173.8 | -22.1 | 0 | 0 | 111.8 | G301 Y305 S330 N332 | G301-Q303 VanDerWaalsContact C-N 3.27Å; G301-Q303 PolarHBondContact O-N 3.22Å; Q303-Y305 HydrophobicContact CG-CD2 4.11Å; Q303-Y305 HydrophobicContact CG-CE2 3.43Å; Q303-Y305 VanDerWaalsContact CG-CE2 3.43Å; Q303-Y305 PolarHBondContact NE2-OH 3.29Å; Q303-S330 PolarHBondContact OE1-OG 3.31Å; Q303-N332 PolarHBondContact OE1-ND2 3.46Å |
| 304 | H | 92.4 | Very high | 86.9 | Confident | 70 Ų | 70 | 37.9 Ų | 37.9 | 32% | 0.324 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 145.9 | 174.4 | -69.6 | -177.3 | 0 | 0 | 0 | 111.5 | D233 G294 M331 | D233-H304 IonicContact OD1-CE1 3.95Å; D233-H304 IonicContact OD1-CG 3.88Å; D233-H304 IonicContact OD1-ND1 3.84Å; D233-H304 PolarHBondContact OD1-ND1 3.37Å; G294-H304 WeakPolarHBondContact O-CA 3.35Å; H304-M331 HydrophobicContact CB-CB 4.24Å; H304-M331 HydrophobicContact CB-CG 3.81Å; H304-M331 WeakPolarHBondContact O-CB 3.43Å; H304-M331 WeakPolarHBondContact O-CG 3.47Å; H304-M331 PolarHBondContact O-N 3.46Å |
| 305 | Y | 95 | Very high | 85 | Confident | 17 Ų | 17 | 40 Ų | 40 | 7% | 0.067 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 145.6 | 176.3 | -75.3 | -98.8 | 0 | 0 | 0 | 110.9 | V293 G294 L296 F300 Q303 F329 T434 | V293-Y305 WeakPolarHBondContact CA-O 3.3Å; G294-Y305 PolarHBondContact N-O 3.4Å; G294-Y305 PolarHBondContact O-N 2.87Å; L296-Y305 HydrophobicContact CB-CD2 4.38Å; L296-Y305 HydrophobicContact CD1-CD1 4.03Å; L296-Y305 HydrophobicContact CD1-CD2 3.49Å; L296-Y305 VanDerWaalsContact CD1-CD2 3.49Å; L296-Y305 HydrophobicContact CD1-CE1 4.5Å; L296-Y305 HydrophobicContact CD1-CE2 4.01Å; L296-Y305 HydrophobicContact CD1-CG 3.49Å; L296-Y305 VanDerWaalsContact CD1-CG 3.49Å; L296-Y305 HydrophobicContact CG-CD2 3.67Å; L296-Y305 HydrophobicContact CG-CE2 4.4Å; L296-Y305 HydrophobicContact CG-CG 3.95Å; F300-Y305 HydrophobicContact CB-CE2 3.88Å; F300-Y305 PolarHBondContact O-OH 3.41Å; Q303-Y305 HydrophobicContact CG-CD2 4.11Å; Q303-Y305 HydrophobicContact CG-CE2 3.43Å; Q303-Y305 VanDerWaalsContact CG-CE2 3.43Å; Q303-Y305 PolarHBondContact NE2-OH 3.29Å; Y305-F329 CarbonylContact C-O 3.24Å; Y305-F329 WeakPolarHBondContact CA-O 3.43Å; Y305-T434 HydrophobicContact CE1-CG2 3.92Å |
| 306 | F | 96.7 | Very high | 82.6 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 110.7 | 163.8 | -178.9 | -82.6 | 0 | 0 | 0 | 108.7 | F231 V240 L257 L275 F291 V293 F310 L328 F329 M331 I334 | F231-F306 AromaticContact CE1-CD2 3.95Å; F231-F306 HydrophobicContact CE1-CD2 3.95Å; F231-F306 HydrophobicContact CE1-CE2 4.04Å; F231-F306 HydrophobicContact CZ-CD2 4.13Å; V240-F306 HydrophobicContact CG1-CZ 4.23Å; V240-F306 HydrophobicContact CG2-CE2 3.7Å; V240-F306 HydrophobicContact CG2-CZ 4.13Å; L257-F306 HydrophobicContact CD2-CE2 4.12Å; L275-F306 HydrophobicContact CD1-CD1 4.28Å; L275-F306 HydrophobicContact CD1-CE1 3.71Å; L275-F306 HydrophobicContact CD1-CZ 3.97Å; F291-F306 HydrophobicContact CB-CE1 4.11Å; F291-F306 HydrophobicContact CB-CE2 3.78Å; F291-F306 HydrophobicContact CB-CZ 3.48Å; F291-F306 VanDerWaalsContact CB-CZ 3.48Å; F291-F306 HydrophobicContact CD1-CZ 4.46Å; F291-F306 HydrophobicContact CD2-CD2 4.29Å; F291-F306 AromaticContact CD2-CE2 3.6Å; F291-F306 HydrophobicContact CD2-CE2 3.6Å; F291-F306 HydrophobicContact CD2-CZ 4.18Å; F291-F306 HydrophobicContact CE2-CE2 4.36Å; F291-F306 AromaticContact CG-CE2 3.7Å; F291-F306 HydrophobicContact CG-CE2 3.7Å; F291-F306 AromaticContact CG-CZ 3.79Å; F291-F306 HydrophobicContact CG-CZ 3.79Å; V293-F306 HydrophobicContact CG2-CB 4.45Å; V293-F306 HydrophobicContact CG2-CD2 3.55Å; V293-F306 HydrophobicContact CG2-CE2 4.22Å; V293-F306 HydrophobicContact CG2-CG 4.37Å; F306-F310 HydrophobicContact CE1-CZ 4.28Å; F306-L328 WeakPolarHBondContact O-CA 3.43Å; F306-F329 HydrophobicContact CB-CB 4.34Å; F306-F329 AromaticContact CD1-CD2 3.86Å; F306-F329 HydrophobicContact CD1-CD2 3.86Å; F306-F329 HydrophobicContact CD1-CE2 4.43Å; F306-F329 PolarHBondContact N-O 3.32Å; F306-F329 PolarHBondContact O-N 3.15Å; F306-M331 HydrophobicContact CB-SD 4.27Å; F306-I334 HydrophobicContact CB-CD1 3.6Å; F306-I334 HydrophobicContact CG-CD1 4.23Å |
| 307 | V | 96.6 | Very high | 80.2 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 110.4 | 174.7 | -174.2 | 0 | 0 | 0 | 0 | 107.9 | F291 Y292 L296 I326 L328 I405 L417 | F291-V307 CarbonylContact C-O 3.29Å; F291-V307 WeakPolarHBondContact CA-O 3.49Å; Y292-V307 HydrophobicContact CD1-CG2 4.37Å; Y292-V307 PolarHBondContact N-O 3.07Å; Y292-V307 PolarHBondContact O-N 3.22Å; L296-V307 HydrophobicContact CD2-CG2 4.01Å; V307-I326 HydrophobicContact CG1-CG2 4.25Å; V307-L328 HydrophobicContact CG1-CG 4.18Å; V307-L328 HydrophobicContact CG2-CD2 4.01Å; V307-L328 HydrophobicContact CG2-CG 4.1Å; V307-I405 HydrophobicContact CB-CD1 4.28Å; V307-I405 HydrophobicContact CG1-CD1 3.45Å; V307-I405 VanDerWaalsContact CG1-CD1 3.45Å; V307-L417 HydrophobicContact CG1-CD1 4.39Å; V307-L417 HydrophobicContact CG1-CD2 4.29Å |
| 308 | G | 95.3 | Very high | 78.1 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 140.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | F310 C327 | G308-F310 WeakPolarHBondContact O-CD2 3.41Å; G308-C327 PolarHBondContact N-O 2.75Å; G308-C327 PolarHBondContact O-N 3.46Å |
| 309 | L | 96.8 | Very high | 76.3 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 117.2 | 165.4 | -57.1 | -176.4 | 0 | 0 | 0 | 108.7 | V288 Q289 A290 I326 L402 S404 I405 V419 | V288-L309 CarbonylContact C-O 3.58Å; V288-L309 WeakPolarHBondContact CA-O 3.34Å; Q289-L309 PolarHBondContact N-O 3.4Å; A290-L309 HydrophobicContact CB-CD1 4.3Å; A290-L309 PolarHBondContact O-N 3.1Å; L309-I326 HydrophobicContact CD2-CB 4.39Å; L309-I326 HydrophobicContact CD2-CD1 4.13Å; L309-I326 HydrophobicContact CD2-CG1 3.7Å; L309-I326 HydrophobicContact CD2-CG2 4.26Å; L309-L402 HydrophobicContact CB-CB 4.36Å; L309-L402 HydrophobicContact CD1-CB 3.88Å; L309-L402 HydrophobicContact CD2-CB 4.43Å; L309-L402 HydrophobicContact CD2-CD1 3.99Å; L309-L402 HydrophobicContact CG-CB 4.48Å; L309-S404 VanDerWaalsContact CD1-O 3.27Å; L309-S404 WeakPolarHBondContact CD1-O 3.31Å; L309-I405 HydrophobicContact CD1-CB 3.85Å; L309-I405 HydrophobicContact CD1-CG2 4.36Å; L309-I405 HydrophobicContact CD2-CB 4.42Å; L309-I405 HydrophobicContact CD2-CD1 4.04Å; L309-I405 HydrophobicContact CG-CB 4.03Å; L309-I405 HydrophobicContact CG-CD1 4.34Å; L309-I405 HydrophobicContact CG-CG2 4.31Å; L309-V419 HydrophobicContact CD1-CG1 3.97Å; L309-V419 HydrophobicContact CD2-CG1 4.18Å; L309-V419 HydrophobicContact CD2-CG2 4.33Å |
| 310 | F | 95.1 | Very high | 74.7 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 140.3 | -178.7 | -65.8 | -100.5 | 0 | 0 | 0 | 110.3 | L275 C277 Y285 S287 V288 F306 G308 S324 A325 C327 F329 | L275-F310 HydrophobicContact CB-CE1 4.08Å; L275-F310 HydrophobicContact CB-CZ 4.19Å; L275-F310 HydrophobicContact CD1-CE1 4.45Å; L275-F310 HydrophobicContact CD1-CZ 4.06Å; C277-F310 HydrophobicContact CB-CB 3.94Å; C277-F310 HydrophobicContact CB-CD1 3.9Å; C277-F310 HydrophobicContact CB-CD2 3.57Å; C277-F310 HydrophobicContact CB-CE1 4.28Å; C277-F310 HydrophobicContact CB-CE2 4.01Å; C277-F310 HydrophobicContact CB-CG 3.52Å; C277-F310 HydrophobicContact CB-CZ 4.34Å; Y285-F310 WeakPolarHBondContact O-CB 3.33Å; Y285-F310 VanDerWaalsContact O-CD1 3.26Å; Y285-F310 WeakPolarHBondContact O-CD1 3.27Å; S287-F310 CarbonylContact O-C 3.52Å; S287-F310 WeakPolarHBondContact O-CA 3.14Å; V288-F310 HydrophobicContact CB-CD1 4.02Å; V288-F310 HydrophobicContact CB-CE1 3.89Å; V288-F310 HydrophobicContact CB-CZ 4.36Å; V288-F310 HydrophobicContact CG2-CE1 4.39Å; V288-F310 HydrophobicContact CG2-CZ 4.39Å; F306-F310 HydrophobicContact CE1-CZ 4.28Å; G308-F310 WeakPolarHBondContact O-CD2 3.41Å; F310-S324 CarbonylContact O-C 3.55Å; F310-S324 WeakPolarHBondContact O-CA 3.45Å; F310-S324 WeakPolarHBondContact O-CB 3.36Å; F310-A325 PolarHBondContact N-O 2.91Å; F310-A325 PolarHBondContact O-N 2.8Å; F310-C327 HydrophobicContact CD2-CB 4.07Å; F310-C327 HydrophobicContact CE2-CB 3.92Å; F310-F329 AromaticContact CE2-CE2 3.74Å; F310-F329 HydrophobicContact CE2-CE2 3.74Å; F310-F329 HydrophobicContact CE2-CZ 4.33Å; F310-F329 AromaticContact CZ-CE2 3.74Å; F310-F329 HydrophobicContact CZ-CE2 3.74Å; F310-F329 HydrophobicContact CZ-CZ 4.09Å |
| 311 | A | 92.2 | Very high | 73.6 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 3% | 0.025 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 154.2 | 171 | 0 | 0 | 0 | 0 | 0 | 109.8 | N286 S287 Q289 Q323 K401 | N286-A311 PolarHBondContact N-O 2.89Å; N286-A311 PolarHBondContact OD1-O 3.13Å; S287-A311 PolarHBondContact N-O 2.71Å; S287-A311 PolarHBondContact O-N 2.95Å; Q289-A311 HydrophobicContact CG-CB 3.79Å; A311-Q323 VanDerWaalsContact CA-O 3.29Å; A311-Q323 WeakPolarHBondContact CA-O 3.28Å; A311-K401 HydrophobicContact CB-CG 4.36Å |
| 312 | K | 87 | Confident | 73.3 | Confident | 78 Ų | 78 | 48.6 Ų | 48.6 | 34% | 0.339 | 28% | 0.277 | S | S | . | . | trans | -88.8 | 106.4 | 172.2 | -161 | -179.5 | -172.7 | 171.6 | 0 | 109 | Y285 Q323 | Y285-K312 HydrophobicContact CD1-CB 4.23Å; K312-Q323 HydrophobicContact CB-CB 4.08Å; K312-Q323 HydrophobicContact CD-CB 4.49Å; K312-Q323 PolarHBondContact N-O 3.29Å | ||
| 313 | E | 78.4 | Confident | 73.8 | Confident | 52 Ų | 52 | 44.5 Ų | 44.5 | 24% | 0.243 | 24% | 0.244 | C | C | . | . | trans | -113.8 | 111.1 | 178.4 | -74.1 | -179.6 | 174.5 | 0 | 0 | 109.5 | N286 S287 Q289 K401 | N286-E313 PolarHBondContact ND2-O 2.87Å; N286-E313 PolarHBondContact OD1-N 2.95Å; N286-E313 PolarHBondContact OD1-O 3.3Å; S287-E313 VanDerWaalsContact CB-OE2 3.25Å; S287-E313 WeakPolarHBondContact CB-OE2 3.36Å; S287-E313 VanDerWaalsContact OG-CD 3.23Å; S287-E313 PolarHBondContact OG-OE2 3.27Å; Q289-E313 PolarHBondContact NE2-OE1 3.47Å; E313-K401 IonicContact OE1-NZ 3.38Å; E313-K401 PolarHBondContact OE1-NZ 2.97Å | ||
| 314 | S | 63.4 | Low | 74.2 | Confident | 66 Ų | 66 | 41.6 Ų | 41.6 | 46% | 0.462 | 23% | 0.23 | S | C | . | . | trans | -78.4 | 133 | 172.4 | 42.7 | 0 | 0 | 0 | 0 | 110.3 | G316 | S314-G316 WeakPolarHBondContact CB-O 3.28Å; S314-G316 CarbonylContact O-C 3.55Å; S314-G316 PolarHBondContact O-N 3.45Å; S314-G316 VanDerWaalsContact O-O 3.14Å; S314-G316 PolarHBondContact OG-O 3.29Å | ||
| 315 | T | 52.4 | Low | 74.3 | Confident | 50 Ų | 50 | 38.2 Ų | 38.2 | 31% | 0.307 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -68.6 | -10.7 | 167.7 | 42.9 | 0 | 0 | 0 | 0 | 112.9 | L250 S251 P252 L253 | L250-T315 PolarHBondContact O-OG1 2.97Å; S251-T315 WeakPolarHBondContact O-CG2 3.39Å; P252-T315 VanDerWaalsContact CA-CG2 3.43Å; P252-T315 WeakPolarHBondContact CA-OG1 3.4Å; L253-T315 HydrophobicContact CG-CG2 3.92Å |
| 316 | G | 39.9 | Very low | 74.4 | Confident | 12 Ų | 12 | 37.4 Ų | 37.4 | 12% | 0.124 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -72 | 117.6 | 153.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S314 G318 P1147 | S314-G316 WeakPolarHBondContact CB-O 3.28Å; S314-G316 CarbonylContact O-C 3.55Å; S314-G316 PolarHBondContact O-N 3.45Å; S314-G316 VanDerWaalsContact O-O 3.14Å; S314-G316 PolarHBondContact OG-O 3.29Å; G316-G318 PolarHBondContact O-N 2.92Å; G316-P1147 VanDerWaalsContact CA-CB 3.42Å |
| 317 | A | 37 | Very low | 74.4 | Confident | 55 Ų | 55 | 37.4 Ų | 37.4 | 46% | 0.455 | 21% | 0.212 | S | C | . | . | trans | -52 | 25.3 | 150.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | D1131 P1147 | A317-D1131 VanDerWaalsContact CB-CG 3.44Å; A317-D1131 WeakPolarHBondContact CB-OD1 3.27Å; A317-D1131 VanDerWaalsContact CB-OD2 3.23Å; A317-D1131 WeakPolarHBondContact CB-OD2 3.49Å; A317-P1147 VanDerWaalsContact CA-CG 3.46Å; A317-P1147 HydrophobicContact CB-CB 3.64Å; A317-P1147 HydrophobicContact CB-CG 4.06Å | ||
| 318 | G | 37 | Very low | 74.4 | Confident | 30 Ų | 30 | 37.7 Ų | 37.7 | 31% | 0.309 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -76.4 | 128.3 | 159.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | G316 S320 | G316-G318 PolarHBondContact O-N 2.92Å; G318-S320 PolarHBondContact O-N 3.23Å |
| 319 | R | 42.7 | Very low | 74.4 | Confident | 139 Ų | 139 | 37.9 Ų | 37.9 | 53% | 0.525 | 21% | 0.214 | S | C | . | . | trans | -62.2 | 87.3 | 172 | -83.2 | -169.4 | 160.5 | -157.4 | -12.2 | 110.3 | R1053 N1054 | R319-R1053 PolarHBondContact NE-O 3.33Å; R319-R1053 PolarHBondContact NH2-O 3.29Å; R319-N1054 VanDerWaalsContact CD-C 3.4Å; R319-N1054 WeakPolarHBondContact CD-O 3.49Å; R319-N1054 PolarHBondContact NE-O 3.1Å; R319-N1054 VanDerWaalsContact NH1-CB 3.27Å; R319-N1054 PolarHBondContact NH1-O 3.44Å; R319-N1054 VanDerWaalsContact NH2-N 3.19Å; R319-N1054 PolarHBondContact NH2-OD1 3.37Å | ||
| 320 | S | 47.9 | Very low | 74.2 | Confident | 63 Ų | 63 | 38.2 Ų | 38.2 | 44% | 0.441 | 22% | 0.216 | S | C | . | . | trans | -69.7 | 134.9 | 161.7 | -154.1 | 0 | 0 | 0 | 0 | 107.5 | G318 | G318-S320 PolarHBondContact O-N 3.23Š| ||
| 321 | E | 59.5 | Low | 74.1 | Confident | 139 Ų | 139 | 38.2 Ų | 38.2 | 65% | 0.65 | 22% | 0.216 | S | C | * | . | trans | -54.3 | 141.4 | 169.3 | -68.3 | -172 | 162 | 0 | 0 | 108.7 | Q323 | E321-Q323 PolarHBondContact O-N 3.5Š| ||
| 322 | P | 72.2 | Confident | 73.9 | Confident | 59 Ų | 59 | 41.1 Ų | 41.1 | 38% | 0.383 | 23% | 0.231 | S | C | . | . | trans | -63.4 | 106.3 | -178.5 | 23 | -29.7 | 0 | 0 | 0 | 109.1 | G399 E400 K401 | P322-G399 CarbonylContact O-C 3.51Å; P322-G399 VanDerWaalsContact O-C 3.24Å; P322-G399 VanDerWaalsContact O-CA 3.23Å; P322-G399 WeakPolarHBondContact O-CA 3.01Å; P322-G399 PolarHBondContact O-N 3.35Å; P322-E400 CarbonylContact O-C 3.51Å; P322-E400 PolarHBondContact O-N 3.13Å; P322-K401 HydrophobicContact CB-CB 3.98Å | ||
| 323 | Q | 87.4 | Confident | 74 | Confident | 40 Ų | 40 | 42 Ų | 42 | 19% | 0.187 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 137.3 | 173.9 | -60.2 | -172.8 | -62.9 | 0 | 0 | 109 | Y285 A311 K312 E321 Y397 D398 | Y285-Q323 HydrophobicContact CE1-CB 3.88Å; A311-Q323 VanDerWaalsContact CA-O 3.29Å; A311-Q323 WeakPolarHBondContact CA-O 3.28Å; K312-Q323 HydrophobicContact CB-CB 4.08Å; K312-Q323 HydrophobicContact CD-CB 4.49Å; K312-Q323 PolarHBondContact N-O 3.29Å; E321-Q323 PolarHBondContact O-N 3.5Å; Q323-Y397 WeakPolarHBondContact CA-O 3.01Å; Q323-D398 PolarHBondContact NE2-OD1 3.44Å |
| 324 | S | 93.7 | Very high | 74.7 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 156.4 | 176.4 | -64.5 | 0 | 0 | 0 | 0 | 113.1 | Y285 F310 M396 Y397 E400 K401 L402 | Y285-S324 VanDerWaalsContact CE1-C 3.48Å; F310-S324 CarbonylContact O-C 3.55Å; F310-S324 WeakPolarHBondContact O-CA 3.45Å; F310-S324 WeakPolarHBondContact O-CB 3.36Å; S324-M396 CarbonylContact O-C 3.58Å; S324-M396 WeakPolarHBondContact O-CA 3.37Å; S324-Y397 PolarHBondContact N-O 2.97Å; S324-Y397 PolarHBondContact O-N 2.82Å; S324-E400 WeakPolarHBondContact CB-O 3.48Å; S324-E400 PolarHBondContact OG-O 3.04Å; S324-K401 WeakPolarHBondContact OG-CA 3.46Å; S324-L402 PolarHBondContact OG-N 3.27Å |
| 325 | A | 94.9 | Very high | 76 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 152.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y285 F310 A393 K395 M396 | Y285-A325 HydrophobicContact CD1-CB 3.65Å; Y285-A325 HydrophobicContact CD2-CB 3.55Å; Y285-A325 HydrophobicContact CE1-CB 3.86Å; Y285-A325 HydrophobicContact CE2-CB 3.79Å; Y285-A325 HydrophobicContact CG-CB 3.49Å; Y285-A325 VanDerWaalsContact CG-CB 3.49Å; F310-A325 PolarHBondContact N-O 2.91Å; F310-A325 PolarHBondContact O-N 2.8Å; A325-A393 HydrophobicContact CB-CB 3.86Å; A325-K395 CarbonylContact C-O 3.58Å; A325-K395 VanDerWaalsContact CA-O 3.31Å; A325-K395 WeakPolarHBondContact CA-O 3.43Å; A325-M396 HydrophobicContact CB-CG 4.23Å |
| 326 | I | 96.7 | Very high | 77.7 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 121.5 | 173.9 | -51.5 | -176.6 | 0 | 0 | 0 | 107.6 | V307 L309 L328 A393 A394 K395 Y397 L402 L417 V419 L429 | V307-I326 HydrophobicContact CG1-CG2 4.25Å; L309-I326 HydrophobicContact CD2-CB 4.39Å; L309-I326 HydrophobicContact CD2-CD1 4.13Å; L309-I326 HydrophobicContact CD2-CG1 3.7Å; L309-I326 HydrophobicContact CD2-CG2 4.26Å; I326-L328 HydrophobicContact CG2-CD1 4.42Å; I326-A393 CarbonylContact O-C 3.5Å; I326-A393 WeakPolarHBondContact O-CA 3.44Å; I326-A394 PolarHBondContact O-N 3.19Å; I326-K395 HydrophobicContact CD1-CB 4.41Å; I326-K395 PolarHBondContact N-O 2.93Å; I326-Y397 HydrophobicContact CD1-CE2 4.39Å; I326-L402 HydrophobicContact CD1-CD1 4.2Å; I326-L402 HydrophobicContact CG1-CD1 3.78Å; I326-L417 HydrophobicContact CG2-CD1 3.99Å; I326-V419 HydrophobicContact CD1-CG2 4.08Å; I326-L429 HydrophobicContact CD1-CD1 4.33Å; I326-L429 HydrophobicContact CD1-CD2 3.94Å |
| 327 | C | 96.5 | Very high | 80.1 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 147.4 | 178.6 | -80.7 | 0 | 0 | 0 | 0 | 111.7 | C277 G308 F310 F329 A393 | C277-C327 WeakPolarHBondContact CA-SG 3.37Å; C277-C327 HydrophobicContact CB-CB 3.72Å; C277-C327 WeakPolarHBondContact CB-SG 3.18Å; C277-C327 WeakPolarHBondContact SG-CB 3.33Å; C277-C327 CovalentContact SG-SG 2.02Å; C277-C327 PolarHBondContact SG-SG 3.48Å; G308-C327 PolarHBondContact N-O 2.75Å; G308-C327 PolarHBondContact O-N 3.46Å; F310-C327 HydrophobicContact CD2-CB 4.07Å; F310-C327 HydrophobicContact CE2-CB 3.92Å; C327-F329 HydrophobicContact CB-CD2 4.44Å; C327-F329 HydrophobicContact CB-CE2 3.58Å; C327-F329 HydrophobicContact CB-CZ 3.99Å; C327-A393 WeakPolarHBondContact SG-CA 3.5Å |
| 328 | L | 95.9 | Very high | 82.6 | Confident | 6 Ų | 6 | 35.2 Ų | 35.2 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 117.7 | -176.8 | -68.1 | 90.3 | 0 | 0 | 0 | 110 | L296 F306 V307 I326 S391 A394 L431 | L296-L328 HydrophobicContact CD1-CD2 3.94Å; F306-L328 WeakPolarHBondContact O-CA 3.43Å; V307-L328 HydrophobicContact CG1-CG 4.18Å; V307-L328 HydrophobicContact CG2-CD2 4.01Å; V307-L328 HydrophobicContact CG2-CG 4.1Å; I326-L328 HydrophobicContact CG2-CD1 4.42Å; L328-S391 PolarHBondContact N-OG 2.9Å; L328-S391 PolarHBondContact O-OG 3.45Å; L328-A394 HydrophobicContact CD1-CB 3.56Å; L328-L431 HydrophobicContact CD1-CD1 3.87Å; L328-L431 HydrophobicContact CD2-CD1 3.71Å; L328-L431 HydrophobicContact CD2-CD2 3.36Å; L328-L431 HydrophobicContact CD2-CG 4.16Å; L328-L431 HydrophobicContact CG-CD1 4.49Å |
| 329 | F | 95.2 | Very high | 85 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.018 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 127.3 | 179.6 | -54.6 | -101.7 | 0 | 0 | 0 | 108.5 | L275 E276 Y305 F306 F310 C327 M331 I334 A389 S391 | L275-F329 HydrophobicContact CB-CZ 4.46Å; L275-F329 HydrophobicContact CD2-CD1 4.39Å; L275-F329 HydrophobicContact CD2-CE1 4.34Å; E276-F329 WeakPolarHBondContact O-CE1 3.11Å; E276-F329 WeakPolarHBondContact O-CZ 3.31Å; Y305-F329 CarbonylContact C-O 3.24Å; Y305-F329 WeakPolarHBondContact CA-O 3.43Å; F306-F329 HydrophobicContact CB-CB 4.34Å; F306-F329 AromaticContact CD1-CD2 3.86Å; F306-F329 HydrophobicContact CD1-CD2 3.86Å; F306-F329 HydrophobicContact CD1-CE2 4.43Å; F306-F329 PolarHBondContact N-O 3.32Å; F306-F329 PolarHBondContact O-N 3.15Å; F310-F329 AromaticContact CE2-CE2 3.74Å; F310-F329 HydrophobicContact CE2-CE2 3.74Å; F310-F329 HydrophobicContact CE2-CZ 4.33Å; F310-F329 AromaticContact CZ-CE2 3.74Å; F310-F329 HydrophobicContact CZ-CE2 3.74Å; F310-F329 HydrophobicContact CZ-CZ 4.09Å; C327-F329 HydrophobicContact CB-CD2 4.44Å; C327-F329 HydrophobicContact CB-CE2 3.58Å; C327-F329 HydrophobicContact CB-CZ 3.99Å; F329-M331 PolarHBondContact O-N 3.42Å; F329-I334 HydrophobicContact CB-CD1 3.74Å; F329-I334 HydrophobicContact CB-CG1 3.99Å; F329-A389 HydrophobicContact CD1-CB 4.14Å; F329-A389 VanDerWaalsContact CE1-O 3.26Å; F329-A389 WeakPolarHBondContact CE1-O 3.33Å; F329-S391 VanDerWaalsContact CE1-CB 3.41Å |
| 330 | S | 92.9 | Very high | 87.1 | Confident | 6 Ų | 6 | 35.1 Ų | 35.1 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 137.9 | 169.2 | 176.8 | 0 | 0 | 0 | 0 | 109 | Q303 N332 D333 I334 | Q303-S330 PolarHBondContact OE1-OG 3.31Å; S330-N332 PolarHBondContact O-N 3.31Å; S330-N332 PolarHBondContact OG-N 2.8Å; S330-D333 WeakPolarHBondContact CB-OD2 3.14Å; S330-D333 PolarHBondContact O-N 2.99Å; S330-I334 PolarHBondContact O-N 2.97Å |
| 331 | M | 92.4 | Very high | 89 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.4 | -24.7 | 172.9 | -74.6 | -58.2 | -58 | 0 | 0 | 111.7 | F231 D233 Y238 V293 H304 F306 F329 I334 R335 | F231-M331 HydrophobicContact CE2-CE 3.79Å; F231-M331 HydrophobicContact CE2-SD 4.07Å; F231-M331 HydrophobicContact CZ-CE 4.23Å; F231-M331 HydrophobicContact CZ-SD 4.23Å; D233-M331 HydrophobicContact CB-CE 4.03Å; Y238-M331 HydrophobicContact CE1-CE 4.3Å; Y238-M331 HydrophobicContact CE2-CE 3.98Å; V293-M331 HydrophobicContact CG1-CG 4.44Å; V293-M331 HydrophobicContact CG1-SD 4.29Å; H304-M331 HydrophobicContact CB-CB 4.24Å; H304-M331 HydrophobicContact CB-CG 3.81Å; H304-M331 WeakPolarHBondContact O-CB 3.43Å; H304-M331 WeakPolarHBondContact O-CG 3.47Å; H304-M331 PolarHBondContact O-N 3.46Å; F306-M331 HydrophobicContact CB-SD 4.27Å; F329-M331 PolarHBondContact O-N 3.42Å; M331-I334 HydrophobicContact CE-CG2 4.25Å; M331-I334 HydrophobicContact SD-CD1 3.7Å; M331-R335 WeakPolarHBondContact O-CB 3.31Å; M331-R335 VanDerWaalsContact O-CG 3.28Å; M331-R335 WeakPolarHBondContact O-CG 3.37Å; M331-R335 PolarHBondContact O-N 2.89Å |
| 332 | N | 89.2 | Confident | 90.3 | Very high | 64 Ų | 64 | 26.7 Ų | 26.7 | 34% | 0.342 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -66.9 | -38.3 | 171.3 | -72.9 | -28 | 0 | 0 | 0 | 112.5 | Q303 S330 R335 S336 | Q303-N332 PolarHBondContact OE1-ND2 3.46Å; S330-N332 PolarHBondContact O-N 3.31Å; S330-N332 PolarHBondContact OG-N 2.8Å; N332-R335 PolarHBondContact OD1-NH2 3.23Å; N332-S336 WeakPolarHBondContact O-CB 3.49Å; N332-S336 PolarHBondContact O-N 3.14Å; N332-S336 PolarHBondContact O-OG 3.1Å |
| 333 | D | 89.8 | Confident | 90.8 | Very high | 97 Ų | 97 | 27.9 Ų | 27.9 | 52% | 0.519 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -71.5 | -40.3 | 176.7 | -61.8 | -25.7 | 0 | 0 | 0 | 110.8 | S330 S336 A337 | S330-D333 WeakPolarHBondContact CB-OD2 3.14Å; S330-D333 PolarHBondContact O-N 2.99Å; D333-S336 WeakPolarHBondContact O-CB 3.48Å; D333-S336 PolarHBondContact O-N 3.37Å; D333-A337 PolarHBondContact O-N 3.19Å |
| 334 | I | 92.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.5 | -51 | 172.5 | -74.1 | 168.1 | 0 | 0 | 0 | 110.3 | Y238 L257 I273 F306 F329 S330 M331 S336 A337 F338 A389 | Y238-I334 HydrophobicContact CE1-CG2 4.37Å; L257-I334 HydrophobicContact CD1-CD1 3.75Å; L257-I334 HydrophobicContact CD1-CG1 4.13Å; L257-I334 HydrophobicContact CD1-CG2 3.77Å; I273-I334 HydrophobicContact CD1-CG2 4.18Å; F306-I334 HydrophobicContact CB-CD1 3.6Å; F306-I334 HydrophobicContact CG-CD1 4.23Å; F329-I334 HydrophobicContact CB-CD1 3.74Å; F329-I334 HydrophobicContact CB-CG1 3.99Å; S330-I334 PolarHBondContact O-N 2.97Å; M331-I334 HydrophobicContact CE-CG2 4.25Å; M331-I334 HydrophobicContact SD-CD1 3.7Å; I334-S336 VanDerWaalsContact C-N 3.3Å; I334-S336 PolarHBondContact O-N 3.42Å; I334-A337 PolarHBondContact O-N 2.95Å; I334-F338 HydrophobicContact CG2-CD2 3.91Å; I334-F338 HydrophobicContact CG2-CE2 3.79Å; I334-F338 VanDerWaalsContact O-CD2 3.28Å; I334-F338 WeakPolarHBondContact O-CD2 3.2Å; I334-F338 PolarHBondContact O-N 2.9Å; I334-A389 HydrophobicContact CG1-CB 4.16Å |
| 335 | R | 89.6 | Confident | 90.2 | Very high | 42 Ų | 42 | 31.1 Ų | 31.1 | 16% | 0.158 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.8 | -41.6 | 175.4 | -78.9 | -168.9 | -75.6 | -112.7 | 10.4 | 112 | D233 N234 M331 N332 A337 F338 W339 E376 | D233-R335 IonicContact OD2-CZ 2.87Å; D233-R335 IonicContact OD2-NH1 2.77Å; D233-R335 PolarHBondContact OD2-NH1 3.4Å; N234-R335 PolarHBondContact ND2-NH1 3Å; M331-R335 WeakPolarHBondContact O-CB 3.31Å; M331-R335 VanDerWaalsContact O-CG 3.28Å; M331-R335 WeakPolarHBondContact O-CG 3.37Å; M331-R335 PolarHBondContact O-N 2.89Å; N332-R335 PolarHBondContact OD1-NH2 3.23Å; R335-A337 PolarHBondContact O-N 3.41Å; R335-F338 WeakPolarHBondContact O-CB 3.42Å; R335-F338 PolarHBondContact O-N 3.17Å; R335-W339 WeakPolarHBondContact O-CB 3.46Å; R335-W339 PolarHBondContact O-N 2.92Å; R335-E376 WeakPolarHBondContact CB-OE1 3.43Å; R335-E376 VanDerWaalsContact CD-CD 3.49Å; R335-E376 WeakPolarHBondContact CD-OE2 3.21Å; R335-E376 WeakPolarHBondContact CG-OE1 3.39Å; R335-E376 VanDerWaalsContact CG-OE2 3.29Å; R335-E376 WeakPolarHBondContact CG-OE2 3.32Å |
| 336 | S | 88 | Confident | 89.5 | Confident | 41 Ų | 41 | 32.4 Ų | 32.4 | 29% | 0.287 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -62.4 | -42.1 | 175.7 | -60.8 | 0 | 0 | 0 | 0 | 111.8 | N332 D333 I334 W339 Y340 | N332-S336 WeakPolarHBondContact O-CB 3.49Å; N332-S336 PolarHBondContact O-N 3.14Å; N332-S336 PolarHBondContact O-OG 3.1Å; D333-S336 WeakPolarHBondContact O-CB 3.48Å; D333-S336 PolarHBondContact O-N 3.37Å; I334-S336 VanDerWaalsContact C-N 3.3Å; I334-S336 PolarHBondContact O-N 3.42Å; S336-W339 CarbonylContact O-C 3.5Å; S336-W339 PolarHBondContact O-N 2.89Å; S336-Y340 WeakPolarHBondContact O-CB 3.44Å; S336-Y340 WeakPolarHBondContact O-CD2 3.16Å; S336-Y340 PolarHBondContact O-N 3.37Å |
| 337 | A | 90.9 | Very high | 88.7 | Confident | 6 Ų | 6 | 34.8 Ų | 34.8 | 5% | 0.05 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.6 | -42.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I273 D333 I334 R335 N341 A389 | I273-A337 HydrophobicContact CD1-CB 3.76Å; D333-A337 PolarHBondContact O-N 3.19Å; I334-A337 PolarHBondContact O-N 2.95Å; R335-A337 PolarHBondContact O-N 3.41Å; A337-N341 PolarHBondContact O-N 3.42Å; A337-N341 VanDerWaalsContact O-N 3.08Å; A337-N341 PolarHBondContact O-ND2 2.86Å; A337-A389 HydrophobicContact CB-CB 4.05Å |
| 338 | F | 90.8 | Very high | 87.8 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 1% | 0.013 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.7 | -47.6 | 170.5 | -84.6 | -72.3 | 0 | 0 | 0 | 111.6 | Y238 L257 R259 S271 I273 I334 R335 N341 L342 | Y238-F338 HydrophobicContact CD1-CE2 4.24Å; Y238-F338 HydrophobicContact CE1-CD2 4.35Å; Y238-F338 AromaticContact CE1-CE2 3.73Å; Y238-F338 HydrophobicContact CE1-CE2 3.73Å; Y238-F338 HydrophobicContact CE1-CZ 4.35Å; L257-F338 HydrophobicContact CB-CE2 4.3Å; L257-F338 HydrophobicContact CB-CZ 4.1Å; L257-F338 WeakPolarHBondContact O-CZ 3.42Å; R259-F338 HydrophobicContact CB-CD1 4.38Å; R259-F338 HydrophobicContact CB-CE1 3.64Å; R259-F338 HydrophobicContact CB-CE2 4.11Å; R259-F338 HydrophobicContact CB-CZ 3.48Å; R259-F338 VanDerWaalsContact CB-CZ 3.48Å; R259-F338 HydrophobicContact CG-CZ 4.46Å; S271-F338 WeakPolarHBondContact OG-CD1 3.25Å; I273-F338 HydrophobicContact CB-CE1 4.34Å; I273-F338 HydrophobicContact CB-CZ 4.38Å; I273-F338 HydrophobicContact CD1-CD2 3.61Å; I273-F338 HydrophobicContact CD1-CE2 3.51Å; I273-F338 HydrophobicContact CD1-CG 4.18Å; I273-F338 HydrophobicContact CD1-CZ 4.05Å; I273-F338 HydrophobicContact CG1-CD1 4.48Å; I273-F338 HydrophobicContact CG1-CD2 4.11Å; I273-F338 HydrophobicContact CG1-CE1 4.07Å; I273-F338 HydrophobicContact CG1-CE2 3.64Å; I273-F338 HydrophobicContact CG1-CG 4.49Å; I273-F338 HydrophobicContact CG1-CZ 3.63Å; I273-F338 HydrophobicContact CG2-CD1 3.58Å; I273-F338 HydrophobicContact CG2-CD2 4.36Å; I273-F338 HydrophobicContact CG2-CE1 3.74Å; I273-F338 HydrophobicContact CG2-CE2 4.49Å; I273-F338 HydrophobicContact CG2-CG 3.9Å; I273-F338 HydrophobicContact CG2-CZ 4.2Å; I334-F338 HydrophobicContact CG2-CD2 3.91Å; I334-F338 HydrophobicContact CG2-CE2 3.79Å; I334-F338 VanDerWaalsContact O-CD2 3.28Å; I334-F338 WeakPolarHBondContact O-CD2 3.2Å; I334-F338 PolarHBondContact O-N 2.9Å; R335-F338 WeakPolarHBondContact O-CB 3.42Å; R335-F338 PolarHBondContact O-N 3.17Å; F338-N341 PolarHBondContact O-N 2.03Å; F338-L342 VanDerWaalsContact O-CB 3.23Å; F338-L342 WeakPolarHBondContact O-CB 3.27Å; F338-L342 PolarHBondContact O-N 3.4Å |
| 339 | W | 85.9 | Confident | 87 | Confident | 40 Ų | 40 | 39.4 Ų | 39.4 | 15% | 0.152 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.1 | -43 | -179.9 | -176.7 | 91.9 | 0 | 0 | 0 | 112.3 | R335 S336 L342 Q343 P373 | R335-W339 WeakPolarHBondContact O-CB 3.46Å; R335-W339 PolarHBondContact O-N 2.92Å; S336-W339 CarbonylContact O-C 3.5Å; S336-W339 PolarHBondContact O-N 2.89Å; W339-L342 PolarHBondContact O-N 2.93Å; W339-Q343 HydrophobicContact CH2-CG 4.38Å; W339-Q343 VanDerWaalsContact O-CB 3.25Å; W339-Q343 WeakPolarHBondContact O-CB 3.45Å; W339-Q343 PolarHBondContact O-N 2.93Å; W339-P373 HydrophobicContact CD2-CB 4.25Å; W339-P373 HydrophobicContact CE3-CB 4.33Å; W339-P373 HydrophobicContact CH2-CB 4.4Å; W339-P373 HydrophobicContact CH2-CG 4.39Å; W339-P373 HydrophobicContact CZ2-CB 4.34Å; W339-P373 HydrophobicContact CZ3-CB 4.39Å |
| 340 | Y | 86.9 | Confident | 86.1 | Confident | 127 Ų | 127 | 42.3 Ų | 42.3 | 50% | 0.498 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.6 | -42.7 | 176.6 | -78.9 | -59.6 | 0 | 0 | 0 | 112.1 | S336 Q343 R344 | S336-Y340 WeakPolarHBondContact O-CB 3.44Å; S336-Y340 WeakPolarHBondContact O-CD2 3.16Å; S336-Y340 PolarHBondContact O-N 3.37Å; Y340-Q343 PolarHBondContact O-N 2.9Å; Y340-R344 WeakPolarHBondContact O-CB 3.47Å; Y340-R344 PolarHBondContact O-N 2.97Å |
| 341 | N | 89 | Confident | 85.7 | Confident | 7 Ų | 7 | 43.8 Ų | 43.8 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.6 | -42.2 | 175.6 | -77.5 | -65.4 | 0 | 0 | 0 | 111.6 | I273 A337 F338 R344 C345 G385 T386 I387 | I273-N341 WeakPolarHBondContact CG2-ND2 3.45Å; A337-N341 PolarHBondContact O-N 3.42Å; A337-N341 VanDerWaalsContact O-N 3.08Å; A337-N341 PolarHBondContact O-ND2 2.86Å; F338-N341 PolarHBondContact O-N 2.03Å; N341-R344 PolarHBondContact O-N 3.24Å; N341-C345 WeakPolarHBondContact O-CB 3.45Å; N341-C345 PolarHBondContact O-N 2.78Å; N341-G385 WeakPolarHBondContact OD1-CA 3.35Å; N341-T386 PolarHBondContact OD1-N 3.08Å; N341-I387 PolarHBondContact ND2-O 3.33Å; N341-I387 WeakPolarHBondContact OD1-CB 2.84Å; N341-I387 PolarHBondContact OD1-N 3.34Å |
| 342 | L | 86.4 | Confident | 85.4 | Confident | 17 Ų | 17 | 46 Ų | 46 | 9% | 0.089 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.5 | -48 | 176.2 | -177 | 61.4 | 0 | 0 | 0 | 111 | F338 W339 R344 C345 H346 Q379 A381 V383 | F338-L342 VanDerWaalsContact O-CB 3.23Å; F338-L342 WeakPolarHBondContact O-CB 3.27Å; F338-L342 PolarHBondContact O-N 3.4Å; W339-L342 PolarHBondContact O-N 2.93Å; L342-R344 PolarHBondContact O-N 3.08Å; L342-C345 CarbonylContact O-C 3.5Å; L342-C345 WeakPolarHBondContact O-CB 3.22Å; L342-C345 PolarHBondContact O-N 3.24Å; L342-H346 WeakPolarHBondContact CD1-NE2 3.42Å; L342-H346 WeakPolarHBondContact O-CB 3.42Å; L342-H346 PolarHBondContact O-CD2 3.07Å; L342-H346 PolarHBondContact O-N 3.36Å; L342-Q379 HydrophobicContact CD2-CB 4.14Å; L342-A381 HydrophobicContact CD1-CB 3.68Å; L342-V383 HydrophobicContact CD1-CG2 4.07Å |
| 343 | Q | 81.4 | Confident | 85.3 | Confident | 85 Ų | 85 | 45.3 Ų | 45.3 | 40% | 0.397 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.8 | -41.4 | 176.9 | -171.6 | -167.4 | 13 | 0 | 0 | 111.8 | W339 Y340 C345 H346 S347 | W339-Q343 HydrophobicContact CH2-CG 4.38Å; W339-Q343 VanDerWaalsContact O-CB 3.25Å; W339-Q343 WeakPolarHBondContact O-CB 3.45Å; W339-Q343 PolarHBondContact O-N 2.93Å; Y340-Q343 PolarHBondContact O-N 2.9Å; Q343-C345 VanDerWaalsContact C-N 3.33Å; Q343-H346 CarbonylContact O-C 3.53Å; Q343-H346 PolarHBondContact O-N 2.86Å; Q343-S347 WeakPolarHBondContact O-CB 3.29Å; Q343-S347 PolarHBondContact O-N 2.72Å; Q343-S347 PolarHBondContact O-OG 2.87Å |
| 344 | R | 85.1 | Confident | 85.3 | Confident | 101 Ų | 101 | 40.7 Ų | 40.7 | 38% | 0.381 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.7 | -44.6 | 175.4 | -175.2 | 176.6 | 169.4 | 88.9 | 0.5 | 110.3 | Y340 N341 L342 S347 I349 | Y340-R344 WeakPolarHBondContact O-CB 3.47Å; Y340-R344 PolarHBondContact O-N 2.97Å; N341-R344 PolarHBondContact O-N 3.24Å; L342-R344 PolarHBondContact O-N 3.08Å; R344-S347 WeakPolarHBondContact O-CB 3.4Å; R344-S347 PolarHBondContact O-N 2.87Å; R344-S347 VanDerWaalsContact O-N 3.11Å; R344-I349 CarbonylContact C-O 3.52Å; R344-I349 HydrophobicContact CG-CB 3.66Å; R344-I349 HydrophobicContact CG-CD1 4.36Å; R344-I349 HydrophobicContact CG-CG2 3.79Å; R344-I349 VanDerWaalsContact NH2-CG2 3.35Å; R344-I349 WeakPolarHBondContact O-CB 3.42Å; R344-I349 PolarHBondContact O-N 3.44Å |
| 345 | C | 84.9 | Confident | 85.1 | Confident | 7 Ų | 7 | 42.3 Ų | 42.3 | 5% | 0.047 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.7 | -46.3 | 173.7 | -166.4 | 0 | 0 | 0 | 0 | 111.7 | N341 L342 Q343 S347 G348 C363 H364 V383 | N341-C345 WeakPolarHBondContact O-CB 3.45Å; N341-C345 PolarHBondContact O-N 2.78Å; L342-C345 CarbonylContact O-C 3.5Å; L342-C345 WeakPolarHBondContact O-CB 3.22Å; L342-C345 PolarHBondContact O-N 3.24Å; Q343-C345 VanDerWaalsContact C-N 3.33Å; C345-S347 PolarHBondContact O-N 2.91Å; C345-G348 PolarHBondContact O-N 3.4Å; C345-C363 VanDerWaalsContact CA-CB 3.5Å; C345-C363 WeakPolarHBondContact CA-SG 3.49Å; C345-C363 HydrophobicContact CB-CB 3.79Å; C345-C363 WeakPolarHBondContact CB-SG 3.39Å; C345-C363 WeakPolarHBondContact O-CB 3.21Å; C345-C363 WeakPolarHBondContact SG-CB 3.3Å; C345-C363 CovalentContact SG-SG 2.03Å; C345-C363 PolarHBondContact SG-SG 2.86Å; C345-H364 CarbonylContact O-C 3.5Å; C345-H364 PolarHBondContact O-N 3.23Å; C345-V383 HydrophobicContact CB-CG1 3.99Å; C345-V383 HydrophobicContact CB-CG2 3.9Å |
| 346 | H | 80.5 | Confident | 85 | Confident | 26 Ų | 26 | 40.6 Ų | 40.6 | 12% | 0.12 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.6 | -13.2 | 174.2 | -80.1 | -68.4 | 0 | 0 | 0 | 114.2 | L342 Q343 G348 H364 N365 V366 | L342-H346 WeakPolarHBondContact CD1-NE2 3.42Å; L342-H346 WeakPolarHBondContact O-CB 3.42Å; L342-H346 PolarHBondContact O-CD2 3.07Å; L342-H346 PolarHBondContact O-N 3.36Å; Q343-H346 CarbonylContact O-C 3.53Å; Q343-H346 PolarHBondContact O-N 2.86Å; H346-G348 VanDerWaalsContact C-N 3.3Å; H346-H364 CarbonylContact C-O 3.5Å; H346-H364 WeakPolarHBondContact CA-O 3.35Å; H346-N365 CarbonylContact O-C 3.56Å; H346-N365 VanDerWaalsContact O-CA 3.24Å; H346-N365 WeakPolarHBondContact O-CA 3.5Å; H346-N365 PolarHBondContact O-OD1 2.98Å; H346-V366 WeakPolarHBondContact ND1-CB 3.32Å; H346-V366 WeakPolarHBondContact ND1-CG2 3.47Å; H346-V366 PolarHBondContact O-N 3.24Å |
| 347 | S | 79 | Confident | 85 | Confident | 50 Ų | 50 | 39.7 Ų | 39.7 | 35% | 0.35 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 1.9 | 172.6 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | Q343 R344 C345 N365 | Q343-S347 WeakPolarHBondContact O-CB 3.29Å; Q343-S347 PolarHBondContact O-N 2.72Å; Q343-S347 PolarHBondContact O-OG 2.87Å; R344-S347 WeakPolarHBondContact O-CB 3.4Å; R344-S347 PolarHBondContact O-N 2.87Å; R344-S347 VanDerWaalsContact O-N 3.11Å; C345-S347 PolarHBondContact O-N 2.91Å; S347-N365 PolarHBondContact O-ND2 3.32Å |
| 348 | G | 77.9 | Confident | 84.6 | Confident | 29 Ų | 29 | 41.4 Ų | 41.4 | 30% | 0.299 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 15.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | C345 H346 | C345-G348 PolarHBondContact O-N 3.4Å; H346-G348 VanDerWaalsContact C-N 3.3Å |
| 349 | I | 79.2 | Confident | 84.3 | Confident | 74 Ų | 74 | 42.6 Ų | 42.6 | 38% | 0.379 | 22% | 0.223 | S | C | . | . | trans | -102.7 | 133.5 | -175.3 | -52.2 | 171 | 0 | 0 | 0 | 108.7 | R344 C363 | R344-I349 CarbonylContact C-O 3.52Å; R344-I349 HydrophobicContact CG-CB 3.66Å; R344-I349 HydrophobicContact CG-CD1 4.36Å; R344-I349 HydrophobicContact CG-CG2 3.79Å; R344-I349 VanDerWaalsContact NH2-CG2 3.35Å; R344-I349 WeakPolarHBondContact O-CB 3.42Å; R344-I349 PolarHBondContact O-N 3.44Å; I349-C363 VanDerWaalsContact O-CB 3.23Å; I349-C363 WeakPolarHBondContact O-CB 3.11Å | ||
| 350 | D | 76.7 | Confident | 84.2 | Confident | 66 Ų | 66 | 44.4 Ų | 44.4 | 35% | 0.353 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 80.7 | -170.1 | -180 | -138.1 | -30.4 | 0 | 0 | 0 | 114.5 | C363 T386 | D350-C363 VanDerWaalsContact O-CB 3.25Å; D350-C363 WeakPolarHBondContact O-CB 3.47Å; D350-C363 PolarHBondContact O-N 3.18Å; D350-T386 WeakPolarHBondContact OD2-CG2 3.13Å; D350-T386 PolarHBondContact OD2-OG1 2.92Å |
| 351 | T | 84.1 | Confident | 84 | Confident | 36 Ų | 36 | 40.2 Ų | 40.2 | 22% | 0.221 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -107.6 | 169.5 | 164.9 | 64.1 | 0 | 0 | 0 | 0 | 110.2 | N353 N360 Q361 R362 C363 | T351-N353 PolarHBondContact O-N 2.83Å; T351-N353 VanDerWaalsContact O-N 3.1Å; T351-N353 PolarHBondContact OG1-N 3.08Å; T351-N360 WeakPolarHBondContact CB-OD1 3.44Å; T351-N360 PolarHBondContact OG1-OD1 3.22Å; T351-Q361 CarbonylContact C-O 3.55Å; T351-Q361 WeakPolarHBondContact CA-O 3.25Å; T351-Q361 WeakPolarHBondContact CB-O 3.41Å; T351-R362 HydrophobicContact CG2-CG 4.34Å; T351-C363 PolarHBondContact O-SG 3.46Å |
| 352 | W | 85.1 | Confident | 83.7 | Confident | 49 Ų | 49 | 46.4 Ų | 46.4 | 19% | 0.186 | 24% | 0.244 | C | C | . | . | trans | -57.1 | -22.4 | 168.3 | -69.5 | 22.3 | 0 | 0 | 0 | 111.1 | L354 L359 Q361 H364 R382 G384 | W352-L354 PolarHBondContact O-N 3.42Å; W352-L354 VanDerWaalsContact O-N 3.15Å; W352-L359 WeakPolarHBondContact CB-O 3.4Å; W352-L359 HydrophobicContact CE3-CB 4.03Å; W352-L359 HydrophobicContact CE3-CD1 4.37Å; W352-L359 HydrophobicContact CE3-CD2 4.24Å; W352-L359 HydrophobicContact CE3-CG 4.44Å; W352-L359 HydrophobicContact CZ3-CD1 4.36Å; W352-L359 HydrophobicContact CZ3-CD2 3.94Å; W352-Q361 HydrophobicContact CD2-CB 4.2Å; W352-Q361 HydrophobicContact CG-CB 4.25Å; W352-Q361 PolarHBondContact N-O 2.84Å; W352-H364 AromaticContact CE2-CD2 3.88Å; W352-H364 AromaticContact CZ2-CD2 3.94Å; W352-H364 AromaticContact NE1-CD2 3.23Å; W352-H364 PolarHBondContact NE1-CD2 2.97Å; W352-H364 AromaticContact NE1-CG 3.99Å; W352-R382 HydrophobicContact CE3-CB 3.96Å; W352-R382 HydrophobicContact CZ3-CB 4.05Å; W352-G384 WeakPolarHBondContact O-CA 3.47Å; W352-G384 PolarHBondContact O-N 3.18Å | ||
| 353 | N | 87.4 | Confident | 83.5 | Confident | 48 Ų | 48 | 45.7 Ų | 45.7 | 26% | 0.257 | 24% | 0.24 | S | C | . | . | trans | 53.7 | 40.6 | 168.4 | -175.9 | 46.2 | 0 | 0 | 0 | 113.4 | T351 N360 G384 T386 | T351-N353 PolarHBondContact O-N 2.83Å; T351-N353 VanDerWaalsContact O-N 3.1Å; T351-N353 PolarHBondContact OG1-N 3.08Å; N353-N360 WeakPolarHBondContact CA-OD1 3.4Å; N353-N360 PolarHBondContact N-OD1 2.97Å; N353-G384 VanDerWaalsContact CB-O 3.28Å; N353-G384 WeakPolarHBondContact CB-O 3.46Å; N353-G384 PolarHBondContact ND2-O 2.94Å; N353-T386 WeakPolarHBondContact ND2-CG2 3.25Å | ||
| 354 | L | 90 | Very high | 83.2 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -123.7 | 56 | 172.4 | -66.4 | 172.4 | 0 | 0 | 0 | 110.8 | Y270 E272 W352 H356 F357 L359 R382 | Y270-L354 HydrophobicContact CD1-CD1 4.05Å; Y270-L354 HydrophobicContact CE1-CD1 4.13Å; Y270-L354 HydrophobicContact CE1-CD2 4.19Å; E272-L354 HydrophobicContact CB-CD2 4.41Å; E272-L354 HydrophobicContact CG-CD2 3.78Å; E272-L354 WeakPolarHBondContact OE1-CD2 3.47Å; W352-L354 PolarHBondContact O-N 3.42Å; W352-L354 VanDerWaalsContact O-N 3.15Å; L354-H356 VanDerWaalsContact C-N 3.26Å; L354-H356 PolarHBondContact O-N 2.87Å; L354-F357 HydrophobicContact CB-CD2 4.29Å; L354-F357 HydrophobicContact CD2-CD2 4.41Å; L354-F357 PolarHBondContact O-N 2.68Å; L354-F357 VanDerWaalsContact O-N 3.09Å; L354-L359 CarbonylContact C-O 3.59Å; L354-L359 VanDerWaalsContact C-O 3.29Å; L354-L359 WeakPolarHBondContact CA-O 3.37Å; L354-L359 HydrophobicContact CB-CB 3.91Å; L354-L359 WeakPolarHBondContact CB-O 3.43Å; L354-L359 PolarHBondContact N-O 3.12Å; L354-L359 CarbonylContact O-C 3.5Å; L354-L359 PolarHBondContact O-N 2.77Å; L354-R382 HydrophobicContact CD1-CB 4.27Å |
| 355 | P | 88.6 | Confident | 82.7 | Confident | 34 Ų | 34 | 40.8 Ų | 40.8 | 22% | 0.221 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -64.5 | -27.6 | -173.1 | 30.3 | -38.2 | 0 | 0 | 0 | 113.4 | L247 F357 G358 N360 | L247-P355 HydrophobicContact CD1-CB 3.7Å; L247-P355 HydrophobicContact CD1-CG 4.07Å; L247-P355 HydrophobicContact CG-CB 4.36Å; L247-P355 HydrophobicContact CG-CG 4.19Å; P355-F357 PolarHBondContact O-N 2.96Å; P355-G358 PolarHBondContact O-N 2.93Å; P355-N360 HydrophobicContact CB-CB 4.09Å |
| 356 | H | 87.5 | Confident | 81.8 | Confident | 6 Ų | 6 | 43.2 Ų | 43.2 | 3% | 0.028 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -63.7 | -21.7 | 175 | 52.8 | -72.2 | 0 | 0 | 0 | 113.9 | L215 K216 F223 L247 E272 L354 | L215-H356 HydrophobicContact CD2-CB 3.95Å; K216-H356 PolarHBondContact N-O 2.77Å; F223-H356 HydrophobicContact CD1-CB 3.79Å; F223-H356 HydrophobicContact CE1-CB 3.73Å; F223-H356 AromaticContact CE1-CD2 3.72Å; F223-H356 AromaticContact CE1-CG 3.71Å; F223-H356 HydrophobicContact CG-CB 4.21Å; F223-H356 HydrophobicContact CZ-CB 4.11Å; F223-H356 AromaticContact CZ-CG 3.98Å; L247-H356 HydrophobicContact CD2-CB 3.94Å; E272-H356 IonicContact OE1-CE1 3.95Å; E272-H356 IonicContact OE1-NE2 2.69Å; E272-H356 PolarHBondContact OE1-NE2 2.98Å; E272-H356 IonicContact OE2-CE1 3.55Å; E272-H356 IonicContact OE2-NE2 2.88Å; L354-H356 VanDerWaalsContact C-N 3.26Å; L354-H356 PolarHBondContact O-N 2.87Å |
| 357 | F | 88.5 | Confident | 80.7 | Confident | 23 Ų | 23 | 47.3 Ų | 47.3 | 10% | 0.101 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -98.6 | 6.4 | 171.6 | -64.2 | -55.4 | 0 | 0 | 0 | 113 | A187 M213 V214 L215 Y270 L354 P355 L359 | A187-F357 HydrophobicContact CB-CE1 4.01Å; A187-F357 HydrophobicContact CB-CZ 4.27Å; M213-F357 HydrophobicContact CB-CD1 4.23Å; M213-F357 HydrophobicContact CB-CE1 3.74Å; M213-F357 HydrophobicContact CB-CE2 4.3Å; M213-F357 HydrophobicContact CB-CZ 3.78Å; M213-F357 HydrophobicContact CE-CB 4.1Å; M213-F357 HydrophobicContact CE-CD1 4.28Å; M213-F357 HydrophobicContact CE-CD2 3.58Å; M213-F357 HydrophobicContact CE-CE2 4.01Å; M213-F357 HydrophobicContact CE-CG 3.74Å; V214-F357 WeakPolarHBondContact O-CD1 3.39Å; L215-F357 HydrophobicContact CD2-CD1 4.23Å; L215-F357 HydrophobicContact CD2-CE1 3.88Å; L215-F357 HydrophobicContact CD2-CZ 4.49Å; L215-F357 HydrophobicContact CG-CE1 4.27Å; Y270-F357 HydrophobicContact CE1-CD2 4.25Å; Y270-F357 AromaticContact CE1-CE2 3.72Å; Y270-F357 HydrophobicContact CE1-CE2 3.72Å; Y270-F357 AromaticContact CZ-CE2 3.85Å; L354-F357 HydrophobicContact CB-CD2 4.29Å; L354-F357 HydrophobicContact CD2-CD2 4.41Å; L354-F357 PolarHBondContact O-N 2.68Å; L354-F357 VanDerWaalsContact O-N 3.09Å; P355-F357 PolarHBondContact O-N 2.96Å; F357-L359 HydrophobicContact CB-CB 4.43Å; F357-L359 HydrophobicContact CB-CD1 4.19Å; F357-L359 HydrophobicContact CB-CG 4.15Å; F357-L359 PolarHBondContact O-N 3.15Å |
| 358 | G | 82.7 | Confident | 79.4 | Confident | 42 Ų | 42 | 48.3 Ų | 48.3 | 43% | 0.433 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 13.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | P355 | P355-G358 PolarHBondContact O-N 2.93Š|
| 359 | L | 83.8 | Confident | 78.1 | Confident | 27 Ų | 27 | 50.3 Ų | 50.3 | 14% | 0.141 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -108.3 | 71.2 | -174.6 | -65.4 | -178.7 | 0 | 0 | 0 | 110.3 | M213 W352 L354 F357 R382 | M213-L359 HydrophobicContact CE-CD1 3.82Å; W352-L359 WeakPolarHBondContact CB-O 3.4Å; W352-L359 HydrophobicContact CE3-CB 4.03Å; W352-L359 HydrophobicContact CE3-CD1 4.37Å; W352-L359 HydrophobicContact CE3-CD2 4.24Å; W352-L359 HydrophobicContact CE3-CG 4.44Å; W352-L359 HydrophobicContact CZ3-CD1 4.36Å; W352-L359 HydrophobicContact CZ3-CD2 3.94Å; L354-L359 CarbonylContact C-O 3.59Å; L354-L359 VanDerWaalsContact C-O 3.29Å; L354-L359 WeakPolarHBondContact CA-O 3.37Å; L354-L359 HydrophobicContact CB-CB 3.91Å; L354-L359 WeakPolarHBondContact CB-O 3.43Å; L354-L359 PolarHBondContact N-O 3.12Å; L354-L359 CarbonylContact O-C 3.5Å; L354-L359 PolarHBondContact O-N 2.77Å; F357-L359 HydrophobicContact CB-CB 4.43Å; F357-L359 HydrophobicContact CB-CD1 4.19Å; F357-L359 HydrophobicContact CB-CG 4.15Å; F357-L359 PolarHBondContact O-N 3.15Å; L359-R382 HydrophobicContact CD1-CB 4.4Å |
| 360 | N | 83.2 | Confident | 76.8 | Confident | 79 Ų | 79 | 58.2 Ų | 58.2 | 42% | 0.422 | 32% | 0.317 | S | S | . | . | trans | -116.7 | 32.5 | 177.3 | -156.7 | 22.6 | 0 | 0 | 0 | 112.9 | T351 N353 P355 | T351-N360 WeakPolarHBondContact CB-OD1 3.44Å; T351-N360 PolarHBondContact OG1-OD1 3.22Å; N353-N360 WeakPolarHBondContact CA-OD1 3.4Å; N353-N360 PolarHBondContact N-OD1 2.97Å; P355-N360 HydrophobicContact CB-CB 4.09Å | ||
| 361 | Q | 82.4 | Confident | 75.7 | Confident | 39 Ų | 39 | 56.4 Ų | 56.4 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 150 | 178.5 | -65.7 | -160 | -9.7 | 0 | 0 | 110.6 | T351 W352 S1324 S1328 | T351-Q361 CarbonylContact C-O 3.55Å; T351-Q361 WeakPolarHBondContact CA-O 3.25Å; T351-Q361 WeakPolarHBondContact CB-O 3.41Å; W352-Q361 HydrophobicContact CD2-CB 4.2Å; W352-Q361 HydrophobicContact CG-CB 4.25Å; W352-Q361 PolarHBondContact N-O 2.84Å; Q361-S1324 PolarHBondContact NE2-O 2.81Å; Q361-S1328 VanDerWaalsContact CB-CB 3.43Å |
| 362 | R | 82.5 | Confident | 74.2 | Confident | 137 Ų | 137 | 58.1 Ų | 58.1 | 52% | 0.517 | 32% | 0.32 | S | S | . | . | B | Isolated β-bridge | trans | -61.4 | 146.6 | 176.4 | -76.6 | -178.2 | 178.9 | -179.4 | 0.6 | 109.7 | T351 H364 A1332 | T351-R362 HydrophobicContact CG2-CG 4.34Å; R362-H364 PolarHBondContact O-CD2 3.36Å; R362-H364 PolarHBondContact O-CE1 3.16Å; R362-H364 PolarHBondContact O-ND1 3.37Å; R362-H364 PolarHBondContact O-NE2 3.38Å; R362-A1332 HydrophobicContact CB-CB 3.69Å |
| 363 | C | 82.5 | Confident | 72.4 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.007 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 162 | 173.1 | -87.9 | 0 | 0 | 0 | 0 | 110.9 | C345 I349 D350 T351 A1332 | C345-C363 VanDerWaalsContact CA-CB 3.5Å; C345-C363 WeakPolarHBondContact CA-SG 3.49Å; C345-C363 HydrophobicContact CB-CB 3.79Å; C345-C363 WeakPolarHBondContact CB-SG 3.39Å; C345-C363 WeakPolarHBondContact O-CB 3.21Å; C345-C363 WeakPolarHBondContact SG-CB 3.3Å; C345-C363 CovalentContact SG-SG 2.03Å; C345-C363 PolarHBondContact SG-SG 2.86Å; I349-C363 VanDerWaalsContact O-CB 3.23Å; I349-C363 WeakPolarHBondContact O-CB 3.11Å; D350-C363 VanDerWaalsContact O-CB 3.25Å; D350-C363 WeakPolarHBondContact O-CB 3.47Å; D350-C363 PolarHBondContact O-N 3.18Å; T351-C363 PolarHBondContact O-SG 3.46Å; C363-A1332 WeakPolarHBondContact O-CA 3.41Å; C363-A1332 WeakPolarHBondContact O-CB 3.39Å |
| 364 | H | 75.7 | Confident | 70.6 | Confident | 9 Ų | 9 | 61 Ų | 61 | 4% | 0.042 | 36% | 0.36 | C | S | . | . | trans | -128.6 | 103 | -142 | -75.1 | -28.8 | 0 | 0 | 0 | 111.6 | C345 H346 W352 R362 V366 T1327 S1328 V1331 A1332 | C345-H364 CarbonylContact O-C 3.5Å; C345-H364 PolarHBondContact O-N 3.23Å; H346-H364 CarbonylContact C-O 3.5Å; H346-H364 WeakPolarHBondContact CA-O 3.35Å; W352-H364 AromaticContact CE2-CD2 3.88Å; W352-H364 AromaticContact CZ2-CD2 3.94Å; W352-H364 AromaticContact NE1-CD2 3.23Å; W352-H364 PolarHBondContact NE1-CD2 2.97Å; W352-H364 AromaticContact NE1-CG 3.99Å; R362-H364 PolarHBondContact O-CD2 3.36Å; R362-H364 PolarHBondContact O-CE1 3.16Å; R362-H364 PolarHBondContact O-ND1 3.37Å; R362-H364 PolarHBondContact O-NE2 3.38Å; H364-V366 WeakPolarHBondContact O-CG2 3.38Å; H364-V366 PolarHBondContact O-N 3.05Å; H364-T1327 PolarHBondContact NE2-O 3.15Å; H364-S1328 PolarHBondContact CE1-O 2.9Å; H364-S1328 PolarHBondContact NE2-O 2.92Å; H364-V1331 CarbonylContact C-O 3.27Å; H364-V1331 VanDerWaalsContact CA-C 3.42Å; H364-V1331 WeakPolarHBondContact CA-O 3.1Å; H364-V1331 HydrophobicContact CB-CB 3.59Å; H364-V1331 HydrophobicContact CB-CG1 3.44Å; H364-V1331 VanDerWaalsContact CB-CG1 3.44Å; H364-V1331 WeakPolarHBondContact CB-O 3.43Å; H364-V1331 WeakPolarHBondContact CD2-CB 3.02Å; H364-V1331 VanDerWaalsContact CE1-CA 3.47Å; H364-V1331 WeakPolarHBondContact CE1-CA 3.38Å; H364-V1331 PolarHBondContact CE1-N 3.17Å; H364-V1331 VanDerWaalsContact CE1-N 3.32Å; H364-V1331 WeakPolarHBondContact ND1-CA 3.41Å; H364-V1331 PolarHBondContact ND1-O 3.29Å; H364-V1331 WeakPolarHBondContact NE2-CB 3.46Å; H364-A1332 VanDerWaalsContact CE1-CB 3.45Å; H364-A1332 WeakPolarHBondContact CE1-CB 3.4Å; H364-A1332 PolarHBondContact CE1-N 2.99Å; H364-A1332 WeakPolarHBondContact ND1-CA 3.43Å; H364-A1332 WeakPolarHBondContact ND1-CB 3.28Å; H364-A1332 PolarHBondContact ND1-N 2.94Å | ||
| 365 | N | 74.9 | Confident | 69 | Low | 75 Ų | 75 | 67.3 Ų | 67.3 | 40% | 0.401 | 39% | 0.39 | S | S | . | . | trans | -69.8 | 95.8 | -175.5 | -165.5 | -14.1 | 0 | 0 | 0 | 111.1 | H346 S347 V1331 | H346-N365 CarbonylContact O-C 3.56Å; H346-N365 VanDerWaalsContact O-CA 3.24Å; H346-N365 WeakPolarHBondContact O-CA 3.5Å; H346-N365 PolarHBondContact O-OD1 2.98Å; S347-N365 PolarHBondContact O-ND2 3.32Å; N365-V1331 PolarHBondContact N-O 2.89Å | ||
| 366 | V | 66.4 | Low | 67.5 | Low | 58 Ų | 58 | 67.8 Ų | 67.8 | 35% | 0.352 | 39% | 0.389 | S | S | . | . | trans | -97.3 | 93.7 | 175.7 | -173.7 | 0 | 0 | 0 | 0 | 108.2 | H346 H364 G368 L369 V1331 | H346-V366 WeakPolarHBondContact ND1-CB 3.32Å; H346-V366 WeakPolarHBondContact ND1-CG2 3.47Å; H346-V366 PolarHBondContact O-N 3.24Å; H364-V366 WeakPolarHBondContact O-CG2 3.38Å; H364-V366 PolarHBondContact O-N 3.05Å; V366-G368 PolarHBondContact O-N 2.89Å; V366-L369 HydrophobicContact CG1-CD1 4.26Å; V366-V1331 HydrophobicContact CG2-CG1 4.28Å | ||
| 367 | S | 56 | Low | 66.1 | Low | 111 Ų | 111 | 72.5 Ų | 72.5 | 78% | 0.776 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 120.4 | 170.9 | -46.4 | 0 | 0 | 0 | 0 | 109.9 | ||
| 368 | G | 52.9 | Low | 65.2 | Low | 71 Ų | 71 | 73.9 Ų | 73.9 | 73% | 0.732 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 135.9 | -5.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | V366 R370 | V366-G368 PolarHBondContact O-N 2.89Å; G368-R370 PolarHBondContact O-N 3.32Å; G368-R370 VanDerWaalsContact O-N 3.08Å |
| 369 | L | 50.5 | Low | 64.3 | Low | 72 Ų | 72 | 73.2 Ų | 73.2 | 38% | 0.377 | 41% | 0.411 | S | S | . | . | trans | -82.6 | 83.1 | 176.9 | -85.9 | 152.1 | 0 | 0 | 0 | 111.4 | V366 V371 Q379 | V366-L369 HydrophobicContact CG1-CD1 4.26Å; L369-V371 VanDerWaalsContact C-N 3.25Å; L369-V371 HydrophobicContact CD2-CG2 4.2Å; L369-V371 PolarHBondContact O-N 3.36Å; L369-Q379 VanDerWaalsContact CD2-CD 3.44Å; L369-Q379 HydrophobicContact CD2-CG 4.05Å | ||
| 370 | R | 50.9 | Low | 63.7 | Low | 240 Ų | 240 | 81.7 Ų | 81.7 | 91% | 0.906 | 44% | 0.441 | S | S | * | . | trans | -88.1 | 48.9 | 170.5 | -70.6 | -173.5 | -175.6 | 165.6 | 2.5 | 112 | G368 | G368-R370 PolarHBondContact O-N 3.32Å; G368-R370 VanDerWaalsContact O-N 3.08Å | ||
| 371 | V | 54.8 | Low | 63.1 | Low | 27 Ų | 27 | 78.8 Ų | 78.8 | 16% | 0.164 | 43% | 0.428 | C | S | . | . | trans | -92.9 | 119.9 | 174.4 | -173.3 | 0 | 0 | 0 | 0 | 108.6 | L369 E375 | L369-V371 VanDerWaalsContact C-N 3.25Å; L369-V371 HydrophobicContact CD2-CG2 4.2Å; L369-V371 PolarHBondContact O-N 3.36Å; V371-E375 HydrophobicContact CG1-CB 3.95Å; V371-E375 WeakPolarHBondContact CG1-O 3.49Å | ||
| 372 | P | 51.1 | Low | 63.3 | Low | 72 Ų | 72 | 79.2 Ų | 79.2 | 47% | 0.468 | 43% | 0.428 | S | S | . | . | trans | -58.4 | 146.7 | 176.3 | -19.8 | 30.7 | 0 | 0 | 0 | 111.4 | G374 E375 | P372-G374 PolarHBondContact O-N 2.93Å; P372-E375 PolarHBondContact O-N 2.87Å | ||
| 373 | P | 47.9 | Very low | 63.6 | Low | 87 Ų | 87 | 73 Ų | 73 | 57% | 0.565 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 115.5 | 167.8 | 22.6 | -29.8 | 0 | 0 | 0 | 109 | W339 | W339-P373 HydrophobicContact CD2-CB 4.25Å; W339-P373 HydrophobicContact CE3-CB 4.33Å; W339-P373 HydrophobicContact CH2-CB 4.4Å; W339-P373 HydrophobicContact CH2-CG 4.39Å; W339-P373 HydrophobicContact CZ2-CB 4.34Å; W339-P373 HydrophobicContact CZ3-CB 4.39Å |
| 374 | G | 50.1 | Low | 63.7 | Low | 70 Ų | 70 | 73 Ų | 73 | 72% | 0.722 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 126.1 | -26.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | P372 E376 | P372-G374 PolarHBondContact O-N 2.93Å; G374-E376 PolarHBondContact O-N 3.19Å |
| 375 | E | 56.3 | Low | 63.7 | Low | 134 Ų | 134 | 72.7 Ų | 72.7 | 63% | 0.626 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -95.6 | 64.8 | 174.5 | -75.8 | -170.8 | 162.3 | 0 | 0 | 110.6 | V371 P372 L377 | V371-E375 HydrophobicContact CG1-CB 3.95Å; V371-E375 WeakPolarHBondContact CG1-O 3.49Å; P372-E375 PolarHBondContact O-N 2.87Å; E375-L377 PolarHBondContact O-N 3.48Å |
| 376 | E | 57.2 | Low | 64.2 | Low | 43 Ų | 43 | 71.8 Ų | 71.8 | 20% | 0.201 | 40% | 0.402 | C | S | . | . | trans | -64 | 94 | -166.5 | -122.6 | -175.8 | -174.3 | 0 | 0 | 112.5 | Y236 R259 R335 G374 | Y236-E376 HydrophobicContact CE2-CB 3.99Å; Y236-E376 HydrophobicContact CE2-CG 4.25Å; Y236-E376 WeakPolarHBondContact CE2-OE2 3.09Å; Y236-E376 WeakPolarHBondContact OH-CB 3.43Å; Y236-E376 VanDerWaalsContact OH-CG 3.29Å; Y236-E376 WeakPolarHBondContact OH-CG 3.44Å; Y236-E376 PolarHBondContact OH-O 2.9Å; Y236-E376 VanDerWaalsContact OH-O 3.13Å; R259-E376 IonicContact CZ-OE1 2.68Å; R259-E376 VanDerWaalsContact NH1-CD 3.34Å; R259-E376 IonicContact NH1-OE1 3.36Å; R259-E376 PolarHBondContact NH1-OE1 2.67Å; R259-E376 IonicContact NH1-OE2 3.22Å; R335-E376 WeakPolarHBondContact CB-OE1 3.43Å; R335-E376 VanDerWaalsContact CD-CD 3.49Å; R335-E376 WeakPolarHBondContact CD-OE2 3.21Å; R335-E376 WeakPolarHBondContact CG-OE1 3.39Å; R335-E376 VanDerWaalsContact CG-OE2 3.29Å; R335-E376 WeakPolarHBondContact CG-OE2 3.32Å; G374-E376 PolarHBondContact O-N 3.19Å | ||
| 377 | L | 57 | Low | 65.3 | Low | 106 Ų | 106 | 72 Ų | 72 | 56% | 0.555 | 40% | 0.4 | S | S | * | . | trans | -77.6 | 138.2 | 172.2 | -116.2 | 81.8 | 0 | 0 | 0 | 109.7 | E375 Q379 | E375-L377 PolarHBondContact O-N 3.48Å; L377-Q379 HydrophobicContact CB-CG 4.14Å; L377-Q379 PolarHBondContact O-N 3.13Å | ||
| 378 | C | 69.8 | Low | 67 | Low | 51 Ų | 51 | 68.1 Ų | 68.1 | 35% | 0.345 | 37% | 0.373 | S | S | . | . | trans | -67.6 | 69 | 170.6 | -66.8 | 0 | 0 | 0 | 0 | 112.3 | C261 S263 | C261-C378 HydrophobicContact CB-CB 3.75Å; C261-C378 WeakPolarHBondContact CB-SG 3.14Å; C261-C378 WeakPolarHBondContact SG-CA 3.34Å; C261-C378 WeakPolarHBondContact SG-CB 3.26Å; C261-C378 CovalentContact SG-SG 2.02Å; C261-C378 PolarHBondContact SG-SG 3.03Å; S263-C378 PolarHBondContact OG-SG 2.79Å | ||
| 379 | Q | 64.9 | Low | 69 | Low | 29 Ų | 29 | 65 Ų | 65 | 14% | 0.136 | 34% | 0.34 | C | S | . | . | trans | -68 | 140 | 179.5 | -64.8 | 173.8 | 27 | 0 | 0 | 109.9 | L342 L369 L377 A381 | L342-Q379 HydrophobicContact CD2-CB 4.14Å; L369-Q379 VanDerWaalsContact CD2-CD 3.44Å; L369-Q379 HydrophobicContact CD2-CG 4.05Å; L377-Q379 HydrophobicContact CB-CG 4.14Å; L377-Q379 PolarHBondContact O-N 3.13Å; Q379-A381 PolarHBondContact O-N 2.64Å; Q379-A381 VanDerWaalsContact O-N 3.13Å | ||
| 380 | R | 70.2 | Confident | 71 | Confident | 204 Ų | 204 | 65.5 Ų | 65.5 | 77% | 0.77 | 35% | 0.346 | S | S | * | . | trans | -88.3 | 71.4 | -172.8 | -63.5 | 173.3 | 173.1 | -177.9 | 2.2 | 110.4 | E268 | E268-R380 HydrophobicContact CB-CB 4.12Å; E268-R380 HydrophobicContact CB-CG 4.26Å; E268-R380 CarbonylContact O-C 3.51Å; E268-R380 WeakPolarHBondContact OE2-CD 3.44Å; E268-R380 WeakPolarHBondContact OE2-CG 3.1Å; E268-R380 IonicContact OE2-NE 3.47Å; E268-R380 PolarHBondContact OE2-NE 3.36Å | ||
| 381 | A | 71.8 | Confident | 73 | Confident | 18 Ų | 18 | 54.7 Ų | 54.7 | 15% | 0.149 | 31% | 0.307 | C | S | . | . | trans | -141.4 | 128.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E268 L342 Q379 V383 | E268-A381 CarbonylContact O-C 3.5Å; E268-A381 PolarHBondContact O-N 3.01Å; E268-A381 VanDerWaalsContact O-N 3.07Å; L342-A381 HydrophobicContact CD1-CB 3.68Å; Q379-A381 PolarHBondContact O-N 2.64Å; Q379-A381 VanDerWaalsContact O-N 3.13Å; A381-V383 HydrophobicContact CB-CG2 4.03Å | ||
| 382 | R | 86.5 | Confident | 74.9 | Confident | 49 Ų | 49 | 58 Ų | 58 | 19% | 0.185 | 32% | 0.323 | C | S | . | . | trans | -87.3 | 110.7 | 175 | -65 | -177.9 | 179.6 | 158.5 | 4.8 | 109.8 | R266 F267 E268 Y270 W352 L354 L359 | R266-R382 PolarHBondContact O-NH2 3.4Å; F267-R382 PolarHBondContact O-NE 2.88Å; E268-R382 PolarHBondContact O-N 3.18Å; Y270-R382 WeakPolarHBondContact O-CA 3.25Å; W352-R382 HydrophobicContact CE3-CB 3.96Å; W352-R382 HydrophobicContact CZ3-CB 4.05Å; L354-R382 HydrophobicContact CD1-CB 4.27Å; L359-R382 HydrophobicContact CD1-CB 4.4Å | ||
| 383 | V | 87.7 | Confident | 77 | Confident | 6 Ų | 6 | 55 Ų | 55 | 4% | 0.036 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 120.7 | -171 | -175.3 | 0 | 0 | 0 | 0 | 112 | Y270 S271 E272 L342 C345 A381 | Y270-V383 PolarHBondContact O-N 2.9Å; S271-V383 CarbonylContact C-O 3.56Å; S271-V383 WeakPolarHBondContact CA-O 3.36Å; S271-V383 WeakPolarHBondContact CB-O 3.3Å; E272-V383 PolarHBondContact N-O 3.12Å; L342-V383 HydrophobicContact CD1-CG2 4.07Å; C345-V383 HydrophobicContact CB-CG1 3.99Å; C345-V383 HydrophobicContact CB-CG2 3.9Å; A381-V383 HydrophobicContact CB-CG2 4.03Å |
| 384 | G | 85.1 | Confident | 79.2 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 96.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | W352 N353 | W352-G384 WeakPolarHBondContact O-CA 3.47Å; W352-G384 PolarHBondContact O-N 3.18Å; N353-G384 VanDerWaalsContact CB-O 3.28Å; N353-G384 WeakPolarHBondContact CB-O 3.46Å; N353-G384 PolarHBondContact ND2-O 2.94Å |
| 385 | G | 76.5 | Confident | 81.3 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | trans | -62.9 | 139.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | E272 P274 N341 | E272-G385 WeakPolarHBondContact O-CA 3.47Å; E272-G385 PolarHBondContact O-N 3.45Å; P274-G385 WeakPolarHBondContact CD-O 3.42Å; N341-G385 WeakPolarHBondContact OD1-CA 3.35Å | ||
| 386 | T | 84.2 | Confident | 83 | Confident | 56 Ų | 56 | 48.3 Ų | 48.3 | 34% | 0.344 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -93.1 | -25.8 | 170.4 | 49.4 | 0 | 0 | 0 | 0 | 112 | N341 D350 N353 P388 | N341-T386 PolarHBondContact OD1-N 3.08Å; D350-T386 WeakPolarHBondContact OD2-CG2 3.13Å; D350-T386 PolarHBondContact OD2-OG1 2.92Å; N353-T386 WeakPolarHBondContact ND2-CG2 3.25Å; T386-P388 VanDerWaalsContact O-CD 3.3Å; T386-P388 WeakPolarHBondContact O-CD 3.28Å |
| 387 | I | 90.2 | Very high | 84.7 | Confident | 61 Ų | 61 | 47.2 Ų | 47.2 | 31% | 0.313 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -76.3 | 114.1 | 177 | -56.1 | 170.7 | 0 | 0 | 0 | 108.7 | N341 | N341-I387 PolarHBondContact ND2-O 3.33Å; N341-I387 WeakPolarHBondContact OD1-CB 2.84Å; N341-I387 PolarHBondContact OD1-N 3.34Å |
| 388 | P | 92 | Very high | 86 | Confident | 31 Ų | 31 | 47.4 Ų | 47.4 | 20% | 0.201 | 24% | 0.243 | C | C | . | . | trans | -77.2 | 155.2 | 178.7 | 31 | -31.9 | 0 | 0 | 0 | 112.1 | P274 E276 T386 T390 | P274-P388 HydrophobicContact CB-CB 4.06Å; P274-P388 HydrophobicContact CG-CB 4.33Å; P274-P388 CarbonylContact O-C 3.32Å; P274-P388 VanDerWaalsContact O-CA 3.24Å; P274-P388 WeakPolarHBondContact O-CA 3.29Å; E276-P388 HydrophobicContact CB-CB 4.41Å; E276-P388 HydrophobicContact CG-CB 3.69Å; E276-P388 HydrophobicContact CG-CG 4.12Å; E276-P388 WeakPolarHBondContact OE2-CG 3.41Å; T386-P388 VanDerWaalsContact O-CD 3.3Å; T386-P388 WeakPolarHBondContact O-CD 3.28Å; P388-T390 HydrophobicContact CB-CG2 4.15Å; P388-T390 HydrophobicContact CG-CG2 3.73Å | ||
| 389 | A | 93.6 | Very high | 86.6 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 124.8 | 154.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | I273 P274 L275 E276 F329 I334 A337 | I273-A389 HydrophobicContact CD1-CB 4.12Å; P274-A389 PolarHBondContact O-N 3.27Å; L275-A389 HydrophobicContact CD2-CB 3.92Å; E276-A389 PolarHBondContact N-O 3.49Å; F329-A389 HydrophobicContact CD1-CB 4.14Å; F329-A389 VanDerWaalsContact CE1-O 3.26Å; F329-A389 WeakPolarHBondContact CE1-O 3.33Å; I334-A389 HydrophobicContact CG1-CB 4.16Å; A337-A389 HydrophobicContact CB-CB 4.05Å |
| 390 | T | 92.7 | Very high | 87.6 | Confident | 82 Ų | 82 | 45.6 Ų | 45.6 | 50% | 0.503 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 140 | -173.1 | 59.2 | 0 | 0 | 0 | 0 | 110.6 | E276 P388 | E276-T390 HydrophobicContact CB-CG2 4.15Å; E276-T390 WeakPolarHBondContact O-CA 3.33Å; P388-T390 HydrophobicContact CB-CG2 4.15Å; P388-T390 HydrophobicContact CG-CG2 3.73Å |
| 391 | S | 94.1 | Very high | 88.5 | Confident | 13 Ų | 13 | 38.2 Ų | 38.2 | 9% | 0.091 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 143.1 | 172.5 | 175.8 | 0 | 0 | 0 | 0 | 109.3 | E276 L278 L328 F329 | E276-S391 PolarHBondContact O-N 2.99Å; L278-S391 PolarHBondContact N-O 3.34Å; L328-S391 PolarHBondContact N-OG 2.9Å; L328-S391 PolarHBondContact O-OG 3.45Å; F329-S391 VanDerWaalsContact CE1-CB 3.41Å |
| 392 | I | 93.8 | Very high | 89.6 | Confident | 98 Ų | 98 | 37.4 Ų | 37.4 | 50% | 0.503 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 138.8 | 168.3 | -58.9 | 174.6 | 0 | 0 | 0 | 108.1 | L278 A394 | L278-I392 CarbonylContact O-C 3.53Å; L278-I392 WeakPolarHBondContact O-CA 3.32Å; I392-A394 PolarHBondContact O-N 2.88Å |
| 393 | A | 94.7 | Very high | 89.8 | Confident | 7 Ų | 7 | 36 Ų | 36 | 6% | 0.058 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 125.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L278 A325 I326 C327 K395 M396 | L278-A393 PolarHBondContact O-N 3.12Å; A325-A393 HydrophobicContact CB-CB 3.86Å; I326-A393 CarbonylContact O-C 3.5Å; I326-A393 WeakPolarHBondContact O-CA 3.44Å; C327-A393 WeakPolarHBondContact SG-CA 3.5Å; A393-K395 VanDerWaalsContact C-N 3.32Å; A393-M396 HydrophobicContact CB-CG 3.79Å; A393-M396 HydrophobicContact CB-SD 4.47Å |
| 394 | A | 94.2 | Very high | 90.1 | Very high | 7 Ų | 7 | 35.8 Ų | 35.8 | 6% | 0.058 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | -30.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I326 L328 I392 L431 S435 R436 A437 | I326-A394 PolarHBondContact O-N 3.19Å; L328-A394 HydrophobicContact CD1-CB 3.56Å; I392-A394 PolarHBondContact O-N 2.88Å; A394-L431 HydrophobicContact CB-CD1 4.43Å; A394-S435 VanDerWaalsContact CA-C 3.45Å; A394-R436 CarbonylContact O-C 3.55Å; A394-R436 WeakPolarHBondContact O-CA 3.12Å; A394-A437 HydrophobicContact CB-CB 4.11Å; A394-A437 PolarHBondContact O-N 3.02Å |
| 395 | K | 94.6 | Very high | 90.6 | Very high | 75 Ų | 75 | 36.2 Ų | 36.2 | 33% | 0.326 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 142.7 | 174.3 | -170.7 | 66.2 | 173.8 | -179.4 | 0 | 109.9 | A325 I326 A393 Y397 L429 A437 | A325-K395 CarbonylContact C-O 3.58Å; A325-K395 VanDerWaalsContact CA-O 3.31Å; A325-K395 WeakPolarHBondContact CA-O 3.43Å; I326-K395 HydrophobicContact CD1-CB 4.41Å; I326-K395 PolarHBondContact N-O 2.93Å; A393-K395 VanDerWaalsContact C-N 3.32Å; K395-Y397 HydrophobicContact CB-CE2 4.32Å; K395-Y397 HydrophobicContact CG-CD2 4.34Å; K395-Y397 HydrophobicContact CG-CE2 3.56Å; K395-L429 HydrophobicContact CB-CD2 4.14Å; K395-L429 HydrophobicContact CG-CD2 4.01Å; K395-A437 HydrophobicContact CB-CB 4.38Å |
| 396 | M | 93 | Very high | 91.4 | Very high | 69 Ų | 69 | 36.3 Ų | 36.3 | 34% | 0.34 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 151.7 | 176 | -58 | -179.9 | -58.9 | 0 | 0 | 110.4 | G279 P280 Y285 S324 A325 A393 | G279-M396 VanDerWaalsContact CA-SD 3.59Å; P280-M396 WeakPolarHBondContact CD-SD 3.34Å; P280-M396 HydrophobicContact CG-CE 3.72Å; P280-M396 HydrophobicContact CG-SD 4.38Å; Y285-M396 HydrophobicContact CE2-CG 4.29Å; Y285-M396 HydrophobicContact CE2-SD 3.97Å; Y285-M396 PolarHBondContact OH-SD 3.47Å; S324-M396 CarbonylContact O-C 3.58Å; S324-M396 WeakPolarHBondContact O-CA 3.37Å; A325-M396 HydrophobicContact CB-CG 4.23Å; A393-M396 HydrophobicContact CB-CG 3.79Å; A393-M396 HydrophobicContact CB-SD 4.47Å |
| 397 | Y | 91.8 | Very high | 91.8 | Very high | 20 Ų | 20 | 33.9 Ų | 33.9 | 8% | 0.078 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 121 | 178.6 | -67.1 | -89.8 | 0 | 0 | 0 | 109.8 | Q323 S324 I326 K395 L402 K427 E439 | Q323-Y397 WeakPolarHBondContact CA-O 3.01Å; S324-Y397 PolarHBondContact N-O 2.97Å; S324-Y397 PolarHBondContact O-N 2.82Å; I326-Y397 HydrophobicContact CD1-CE2 4.39Å; K395-Y397 HydrophobicContact CB-CE2 4.32Å; K395-Y397 HydrophobicContact CG-CD2 4.34Å; K395-Y397 HydrophobicContact CG-CE2 3.56Å; Y397-L402 HydrophobicContact CD2-CD1 3.79Å; Y397-L402 HydrophobicContact CD2-CD2 4.08Å; Y397-L402 HydrophobicContact CD2-CG 4.29Å; Y397-L402 HydrophobicContact CE2-CD1 4.02Å; Y397-L402 HydrophobicContact CE2-CD2 4.3Å; Y397-L402 HydrophobicContact CG-CD2 4.39Å; Y397-K427 HydrophobicContact CE1-CD 3.76Å; Y397-E439 WeakPolarHBondContact CE1-OE2 3.27Å; Y397-E439 VanDerWaalsContact CZ-OE2 3.26Å; Y397-E439 PolarHBondContact OH-OE2 3.38Å |
| 398 | D | 85.4 | Confident | 91.9 | Very high | 110 Ų | 110 | 31.5 Ų | 31.5 | 59% | 0.588 | 18% | 0.177 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 130.8 | 170.5 | -64.8 | -42.3 | 0 | 0 | 0 | 109.4 | Q323 | Q323-D398 PolarHBondContact NE2-OD1 3.44Å |
| 399 | G | 81.7 | Confident | 91.7 | Very high | 34 Ų | 34 | 33.4 Ų | 33.4 | 35% | 0.351 | 18% | 0.183 | S | C | . | . | S | Bend | trans | 79.6 | 9.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | P322 | P322-G399 CarbonylContact O-C 3.51Å; P322-G399 VanDerWaalsContact O-C 3.24Å; P322-G399 VanDerWaalsContact O-CA 3.23Å; P322-G399 WeakPolarHBondContact O-CA 3.01Å; P322-G399 PolarHBondContact O-N 3.35Å |
| 400 | E | 85.3 | Confident | 91.2 | Very high | 8 Ų | 8 | 34.6 Ų | 34.6 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | trans | -137.1 | 131.8 | 175.6 | -173.8 | 153.9 | -126.6 | 0 | 0 | 113.1 | P322 S324 T421 R423 T425 K427 | P322-E400 CarbonylContact O-C 3.51Å; P322-E400 PolarHBondContact O-N 3.13Å; S324-E400 WeakPolarHBondContact CB-O 3.48Å; S324-E400 PolarHBondContact OG-O 3.04Å; E400-T421 HydrophobicContact CG-CG2 4Å; E400-T421 WeakPolarHBondContact OE1-CB 3.32Å; E400-T421 WeakPolarHBondContact OE1-CG2 3.48Å; E400-T421 PolarHBondContact OE1-OG1 3.23Å; E400-R423 IonicContact OE1-CZ 2.69Å; E400-R423 VanDerWaalsContact OE1-CZ 3.24Å; E400-R423 IonicContact OE1-NE 3.78Å; E400-R423 PolarHBondContact OE1-NE 3.47Å; E400-R423 IonicContact OE1-NH2 2.68Å; E400-R423 PolarHBondContact OE1-NH2 2.88Å; E400-R423 IonicContact OE2-NH2 3.51Å; E400-R423 PolarHBondContact OE2-NH2 3.21Å; E400-T425 PolarHBondContact OE1-OG1 2.84Å; E400-K427 WeakPolarHBondContact OE2-CE 3.43Å; E400-K427 IonicContact OE2-NZ 2.82Å | ||
| 401 | K | 90.1 | Very high | 90.2 | Very high | 50 Ų | 50 | 39.1 Ų | 39.1 | 22% | 0.217 | 21% | 0.209 | C | C | . | . | trans | -96.7 | 120.1 | 173.1 | -169.3 | 172.6 | -173.8 | 169.4 | 0 | 110.3 | A311 E313 P322 S324 T421 V422 | A311-K401 HydrophobicContact CB-CG 4.36Å; E313-K401 IonicContact OE1-NZ 3.38Å; E313-K401 PolarHBondContact OE1-NZ 2.97Å; P322-K401 HydrophobicContact CB-CB 3.98Å; S324-K401 WeakPolarHBondContact OG-CA 3.46Å; K401-T421 WeakPolarHBondContact O-CA 3.46Å; K401-V422 HydrophobicContact CB-CB 4.2Å; K401-V422 HydrophobicContact CB-CG1 3.96Å; K401-V422 PolarHBondContact O-N 3.45Å | ||
| 402 | L | 94.2 | Very high | 88.8 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 140 | 174.8 | -49.4 | 175.8 | 0 | 0 | 0 | 109.7 | Q289 L309 S324 I326 Y397 V419 T421 | Q289-L402 WeakPolarHBondContact CB-O 3.08Å; L309-L402 HydrophobicContact CB-CB 4.36Å; L309-L402 HydrophobicContact CD1-CB 3.88Å; L309-L402 HydrophobicContact CD2-CB 4.43Å; L309-L402 HydrophobicContact CD2-CD1 3.99Å; L309-L402 HydrophobicContact CG-CB 4.48Å; S324-L402 PolarHBondContact OG-N 3.27Å; I326-L402 HydrophobicContact CD1-CD1 4.2Å; I326-L402 HydrophobicContact CG1-CD1 3.78Å; Y397-L402 HydrophobicContact CD2-CD1 3.79Å; Y397-L402 HydrophobicContact CD2-CD2 4.08Å; Y397-L402 HydrophobicContact CD2-CG 4.29Å; Y397-L402 HydrophobicContact CE2-CD1 4.02Å; Y397-L402 HydrophobicContact CE2-CD2 4.3Å; Y397-L402 HydrophobicContact CG-CD2 4.39Å; L402-V419 HydrophobicContact CB-CG1 3.98Å; L402-V419 HydrophobicContact CD1-CG1 4.08Å; L402-V419 HydrophobicContact CD2-CG1 3.81Å; L402-V419 HydrophobicContact CG-CG1 4.15Å; L402-T421 HydrophobicContact CD2-CG2 4.09Å |
| 403 | T | 91.9 | Very high | 87.7 | Confident | 20 Ų | 20 | 38.3 Ų | 38.3 | 12% | 0.123 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | -26.3 | -168.3 | 56.1 | 0 | 0 | 0 | 0 | 115 | A290 G420 T421 V422 I453 | A290-T403 WeakPolarHBondContact CB-O 3.34Å; T403-G420 PolarHBondContact N-O 3.16Å; T403-G420 PolarHBondContact OG1-O 3.44Å; T403-T421 PolarHBondContact OG1-O 2.96Å; T403-V422 HydrophobicContact CG2-CB 3.98Å; T403-I453 WeakPolarHBondContact CB-O 3.18Å; T403-I453 PolarHBondContact OG1-O 3.04Å |
| 404 | S | 93.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 152.4 | -178.1 | 67.3 | 0 | 0 | 0 | 0 | 111.7 | L309 V419 G420 I453 K454 | L309-S404 VanDerWaalsContact CD1-O 3.27Å; L309-S404 WeakPolarHBondContact CD1-O 3.31Å; S404-V419 CarbonylContact O-C 3.49Å; S404-V419 VanDerWaalsContact O-CA 3.3Å; S404-V419 WeakPolarHBondContact O-CA 3.03Å; S404-G420 PolarHBondContact O-N 3.34Å; S404-G420 WeakPolarHBondContact OG-CA 3.35Å; S404-G420 PolarHBondContact OG-N 3.32Å; S404-I453 WeakPolarHBondContact OG-CG2 3.27Å; S404-K454 WeakPolarHBondContact CB-O 3.21Å |
| 405 | I | 94.7 | Very high | 86.9 | Confident | 11 Ų | 11 | 38.2 Ų | 38.2 | 6% | 0.056 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 138.4 | 179.7 | -171.9 | 169.5 | 0 | 0 | 0 | 110.6 | A290 V307 L309 V407 L418 V419 | A290-I405 HydrophobicContact CB-CG2 4.26Å; V307-I405 HydrophobicContact CB-CD1 4.28Å; V307-I405 HydrophobicContact CG1-CD1 3.45Å; V307-I405 VanDerWaalsContact CG1-CD1 3.45Å; L309-I405 HydrophobicContact CD1-CB 3.85Å; L309-I405 HydrophobicContact CD1-CG2 4.36Å; L309-I405 HydrophobicContact CD2-CB 4.42Å; L309-I405 HydrophobicContact CD2-CD1 4.04Å; L309-I405 HydrophobicContact CG-CB 4.03Å; L309-I405 HydrophobicContact CG-CD1 4.34Å; L309-I405 HydrophobicContact CG-CG2 4.31Å; I405-V407 HydrophobicContact CD1-CG2 4.37Å; I405-V407 HydrophobicContact CG1-CG2 4.3Å; I405-L418 CarbonylContact C-O 3.58Å; I405-L418 WeakPolarHBondContact CA-O 3.35Å; I405-V419 HydrophobicContact CG1-CG2 4.34Å |
| 406 | A | 93.2 | Very high | 86.8 | Confident | 5 Ų | 5 | 34.7 Ų | 34.7 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 144.5 | 165 | 0 | 0 | 0 | 0 | 0 | 109.2 | L418 V457 F459 | A406-L418 HydrophobicContact CB-CB 4.4Å; A406-L418 PolarHBondContact N-O 3.44Å; A406-L418 PolarHBondContact O-N 3.01Å; A406-V457 HydrophobicContact CB-CB 4.34Å; A406-V457 HydrophobicContact CB-CG1 3.81Å; A406-F459 HydrophobicContact CB-CE2 3.95Å; A406-F459 HydrophobicContact CB-CZ 3.99Å |
| 407 | V | 93 | Very high | 86.9 | Confident | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.024 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 127.6 | -176 | -178.7 | 0 | 0 | 0 | 0 | 109.3 | Y292 L296 I405 T415 V416 L417 F459 | Y292-V407 HydrophobicContact CD1-CB 3.72Å; Y292-V407 HydrophobicContact CD1-CG1 4.21Å; Y292-V407 HydrophobicContact CD1-CG2 3.44Å; Y292-V407 VanDerWaalsContact CD1-CG2 3.44Å; Y292-V407 HydrophobicContact CD2-CB 4.11Å; Y292-V407 HydrophobicContact CD2-CG2 4.12Å; Y292-V407 HydrophobicContact CE1-CB 3.78Å; Y292-V407 HydrophobicContact CE1-CG1 3.99Å; Y292-V407 HydrophobicContact CE1-CG2 4.05Å; Y292-V407 HydrophobicContact CE2-CB 4.17Å; Y292-V407 HydrophobicContact CG-CB 3.88Å; Y292-V407 HydrophobicContact CG-CG2 3.48Å; Y292-V407 VanDerWaalsContact CG-CG2 3.48Å; L296-V407 HydrophobicContact CD2-CG1 4.14Å; I405-V407 HydrophobicContact CD1-CG2 4.37Å; I405-V407 HydrophobicContact CG1-CG2 4.3Å; V407-T415 HydrophobicContact CG1-CG2 3.59Å; V407-V416 WeakPolarHBondContact CA-O 3.4Å; V407-L417 HydrophobicContact CB-CD2 4.41Å; V407-L417 HydrophobicContact CG1-CD2 4.09Å; V407-L417 HydrophobicContact CG2-CD2 3.68Å; V407-F459 WeakPolarHBondContact O-CE2 3.41Å |
| 408 | D | 91.6 | Very high | 87 | Confident | 12 Ų | 12 | 30.4 Ų | 30.4 | 6% | 0.064 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 144.3 | 173.8 | -157.8 | 21.1 | 0 | 0 | 0 | 111.6 | V416 F459 R463 Y498 | D408-V416 PolarHBondContact N-O 3.3Å; D408-V416 PolarHBondContact O-N 3.33Å; D408-F459 HydrophobicContact CB-CE1 4.11Å; D408-F459 HydrophobicContact CB-CZ 3.79Å; D408-R463 IonicContact OD1-NH1 3.88Å; D408-R463 PolarHBondContact OD1-NH1 3.41Å; D408-R463 VanDerWaalsContact OD1-NH1 3.07Å; D408-Y498 WeakPolarHBondContact CB-OH 3.32Å; D408-Y498 PolarHBondContact OD2-OH 2.86Å |
| 409 | Q | 88.9 | Confident | 87.4 | Confident | 71 Ų | 71 | 25.2 Ų | 25.2 | 33% | 0.332 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 123.1 | -178.7 | -64.2 | 173.3 | 9.7 | 0 | 0 | 108.4 | P295 | P295-Q409 VanDerWaalsContact C-NE2 3.27Å; P295-Q409 PolarHBondContact O-NE2 2.8Å |
| 410 | L | 82.8 | Confident | 87.9 | Confident | 29 Ų | 29 | 23.6 Ų | 23.6 | 15% | 0.152 | 14% | 0.139 | C | C | . | . | trans | -89.1 | 145.7 | -178.9 | -57 | 174.3 | 0 | 0 | 0 | 110.6 | A412 G413 G414 V416 P497 Y498 | L410-A412 PolarHBondContact O-N 2.95Å; L410-G413 PolarHBondContact O-N 3.46Å; L410-G414 WeakPolarHBondContact CB-O 3.28Å; L410-G414 PolarHBondContact N-O 2.93Å; L410-V416 HydrophobicContact CD1-CG2 3.81Å; L410-V416 HydrophobicContact CD2-CG2 4.24Å; L410-V416 HydrophobicContact CG-CG2 4.12Å; L410-P497 HydrophobicContact CD1-CB 3.5Å; L410-P497 VanDerWaalsContact CD1-CB 3.5Å; L410-P497 HydrophobicContact CD1-CG 3.73Å; L410-Y498 HydrophobicContact CD2-CD1 3.77Å; L410-Y498 HydrophobicContact CD2-CE1 3.31Å | ||
| 411 | D | 72.1 | Confident | 88.2 | Confident | 177 Ų | 177 | 23.2 Ų | 23.2 | 95% | 0.947 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -26.3 | 175.7 | -65 | -28.3 | 0 | 0 | 0 | 113.4 | G413 | D411-G413 VanDerWaalsContact C-N 3.26Å; D411-G413 PolarHBondContact O-N 3.12Å |
| 412 | A | 65.2 | Low | 88.1 | Confident | 94 Ų | 94 | 23.6 Ų | 23.6 | 78% | 0.777 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83 | 5.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L410 | L410-A412 PolarHBondContact O-N 2.95Š|
| 413 | G | 68.8 | Low | 87.7 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 94.5 | -16.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | G297 S298 D299 L410 D411 | G297-G413 CarbonylContact C-O 3.57Å; G297-G413 VanDerWaalsContact C-O 3.24Å; G297-G413 VanDerWaalsContact CA-O 3.27Å; G297-G413 WeakPolarHBondContact CA-O 3.3Å; S298-G413 PolarHBondContact N-O 3.17Å; S298-G413 WeakPolarHBondContact OG-CA 3.24Å; D299-G413 VanDerWaalsContact CG-O 3.29Å; D299-G413 PolarHBondContact N-O 3.08Å; L410-G413 PolarHBondContact O-N 3.46Å; D411-G413 VanDerWaalsContact C-N 3.26Å; D411-G413 PolarHBondContact O-N 3.12Å |
| 414 | G | 82 | Confident | 87.4 | Confident | 12 Ų | 12 | 27.6 Ų | 27.6 | 12% | 0.124 | 16% | 0.156 | C | C | . | . | trans | -71.5 | 160.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L410 | L410-G414 WeakPolarHBondContact CB-O 3.28Å; L410-G414 PolarHBondContact N-O 2.93Å | ||
| 415 | T | 91.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 129.3 | 178.8 | -56.6 | 0 | 0 | 0 | 0 | 110.8 | L296 G297 V407 L417 L431 | L296-T415 HydrophobicContact CB-CG2 4.47Å; L296-T415 HydrophobicContact CD2-CG2 4.12Å; G297-T415 PolarHBondContact N-OG1 3.09Å; V407-T415 HydrophobicContact CG1-CG2 3.59Å; T415-L417 HydrophobicContact CG2-CD2 4.34Å; T415-L431 HydrophobicContact CG2-CD2 4.33Å; T415-L431 PolarHBondContact O-N 2.03Å |
| 416 | V | 92 | Very high | 86.8 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 128.7 | 177.8 | 179.2 | 0 | 0 | 0 | 0 | 110.3 | V407 D408 L410 L418 L429 L430 Y440 P497 Y498 | V407-V416 WeakPolarHBondContact CA-O 3.4Å; D408-V416 PolarHBondContact N-O 3.3Å; D408-V416 PolarHBondContact O-N 3.33Å; L410-V416 HydrophobicContact CD1-CG2 3.81Å; L410-V416 HydrophobicContact CD2-CG2 4.24Å; L410-V416 HydrophobicContact CG-CG2 4.12Å; V416-L418 HydrophobicContact CG1-CD2 3.72Å; V416-L418 HydrophobicContact CG1-CG 4.28Å; V416-L429 CarbonylContact C-O 3.57Å; V416-L429 WeakPolarHBondContact CA-O 3.35Å; V416-L430 HydrophobicContact CG2-CD1 4.44Å; V416-Y440 HydrophobicContact CG1-CE1 4.39Å; V416-P497 HydrophobicContact CG2-CG 3.58Å; V416-Y498 HydrophobicContact CB-CE2 4.34Å; V416-Y498 WeakPolarHBondContact CB-OH 3.42Å; V416-Y498 HydrophobicContact CG1-CE2 4.05Å; V416-Y498 HydrophobicContact CG2-CE2 4Å |
| 417 | L | 94.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 124.3 | 171.4 | -48.2 | -178.6 | 0 | 0 | 0 | 108.9 | V307 I326 V407 T415 V419 L429 L431 | V307-L417 HydrophobicContact CG1-CD1 4.39Å; V307-L417 HydrophobicContact CG1-CD2 4.29Å; I326-L417 HydrophobicContact CG2-CD1 3.99Å; V407-L417 HydrophobicContact CB-CD2 4.41Å; V407-L417 HydrophobicContact CG1-CD2 4.09Å; V407-L417 HydrophobicContact CG2-CD2 3.68Å; T415-L417 HydrophobicContact CG2-CD2 4.34Å; L417-V419 HydrophobicContact CB-CG2 4.36Å; L417-L429 HydrophobicContact CB-CB 4.32Å; L417-L429 PolarHBondContact N-O 3.16Å; L417-L429 PolarHBondContact O-N 3.22Å; L417-L431 HydrophobicContact CD1-CD1 4.34Å |
| 418 | L | 93.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 118.1 | 175 | -49.4 | 171.2 | 0 | 0 | 0 | 108.5 | I405 A406 V416 W426 K427 K428 F459 V466 | I405-L418 CarbonylContact C-O 3.58Å; I405-L418 WeakPolarHBondContact CA-O 3.35Å; A406-L418 HydrophobicContact CB-CB 4.4Å; A406-L418 PolarHBondContact N-O 3.44Å; A406-L418 PolarHBondContact O-N 3.01Å; V416-L418 HydrophobicContact CG1-CD2 3.72Å; V416-L418 HydrophobicContact CG1-CG 4.28Å; L418-W426 HydrophobicContact CB-CH2 3.52Å; L418-W426 HydrophobicContact CB-CZ2 3.2Å; L418-W426 HydrophobicContact CD1-CZ2 3.87Å; L418-W426 HydrophobicContact CG-CZ2 4.05Å; L418-K427 WeakPolarHBondContact CA-O 3.25Å; L418-K428 HydrophobicContact CD2-CB 4.14Å; L418-K428 HydrophobicContact CD2-CD 4.15Å; L418-K428 HydrophobicContact CD2-CG 3.75Å; L418-F459 HydrophobicContact CD1-CE1 3.89Å; L418-F459 HydrophobicContact CD1-CZ 4Å; L418-V466 HydrophobicContact CD1-CG2 3.96Å |
| 419 | V | 94.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 124.2 | -165.2 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | L309 I326 L402 S404 I405 L417 K427 L429 | L309-V419 HydrophobicContact CD1-CG1 3.97Å; L309-V419 HydrophobicContact CD2-CG1 4.18Å; L309-V419 HydrophobicContact CD2-CG2 4.33Å; I326-V419 HydrophobicContact CD1-CG2 4.08Å; L402-V419 HydrophobicContact CB-CG1 3.98Å; L402-V419 HydrophobicContact CD1-CG1 4.08Å; L402-V419 HydrophobicContact CD2-CG1 3.81Å; L402-V419 HydrophobicContact CG-CG1 4.15Å; S404-V419 CarbonylContact O-C 3.49Å; S404-V419 VanDerWaalsContact O-CA 3.3Å; S404-V419 WeakPolarHBondContact O-CA 3.03Å; I405-V419 HydrophobicContact CG1-CG2 4.34Å; L417-V419 HydrophobicContact CB-CG2 4.36Å; V419-K427 HydrophobicContact CB-CB 4.47Å; V419-K427 PolarHBondContact N-O 2.93Å; V419-K427 PolarHBondContact O-N 3.02Å; V419-L429 HydrophobicContact CB-CD1 4.2Å; V419-L429 HydrophobicContact CG2-CD1 3.77Å |
| 420 | G | 92.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 155.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | T403 S404 T425 | T403-G420 PolarHBondContact N-O 3.16Å; T403-G420 PolarHBondContact OG1-O 3.44Å; S404-G420 PolarHBondContact O-N 3.34Å; S404-G420 WeakPolarHBondContact OG-CA 3.35Å; S404-G420 PolarHBondContact OG-N 3.32Å; G420-T425 CarbonylContact C-O 3.59Å; G420-T425 WeakPolarHBondContact CA-O 3.22Å |
| 421 | T | 92 | Very high | 87.4 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 163.2 | -178.9 | 78.5 | 0 | 0 | 0 | 0 | 112.7 | E400 K401 L402 T403 R423 G424 T425 K427 I453 | E400-T421 HydrophobicContact CG-CG2 4Å; E400-T421 WeakPolarHBondContact OE1-CB 3.32Å; E400-T421 WeakPolarHBondContact OE1-CG2 3.48Å; E400-T421 PolarHBondContact OE1-OG1 3.23Å; K401-T421 WeakPolarHBondContact O-CA 3.46Å; L402-T421 HydrophobicContact CD2-CG2 4.09Å; T403-T421 PolarHBondContact OG1-O 2.96Å; T421-R423 PolarHBondContact O-N 3.36Å; T421-R423 VanDerWaalsContact O-N 3.14Å; T421-R423 PolarHBondContact OG1-N 3.25Å; T421-G424 PolarHBondContact O-N 3.11Å; T421-G424 VanDerWaalsContact O-N 3.14Å; T421-T425 WeakPolarHBondContact CB-OG1 3.29Å; T421-T425 WeakPolarHBondContact CG2-OG1 3.4Å; T421-T425 PolarHBondContact N-O 3.01Å; T421-T425 PolarHBondContact OG1-N 2.87Å; T421-T425 VanDerWaalsContact OG1-N 3.1Å; T421-T425 PolarHBondContact OG1-O 3.2Å; T421-T425 PolarHBondContact OG1-OG1 3.38Å; T421-K427 HydrophobicContact CG2-CD 4.31Å; T421-I453 PolarHBondContact O-N 2.81Å |
| 422 | V | 88.2 | Confident | 88.2 | Confident | 58 Ų | 58 | 20.1 Ų | 20.1 | 35% | 0.352 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -17.9 | 174.7 | 73.9 | 0 | 0 | 0 | 0 | 113 | K401 T403 P452 | K401-V422 HydrophobicContact CB-CB 4.2Å; K401-V422 HydrophobicContact CB-CG1 3.96Å; K401-V422 PolarHBondContact O-N 3.45Å; T403-V422 HydrophobicContact CG2-CB 3.98Å; V422-P452 HydrophobicContact CG2-CB 4.22Å; V422-P452 WeakPolarHBondContact O-CA 3.46Å |
| 423 | R | 85.9 | Confident | 89.4 | Confident | 106 Ų | 106 | 17.6 Ų | 17.6 | 40% | 0.4 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -4.2 | 179.7 | -61.1 | -172.2 | -68.4 | -177.1 | 2.7 | 113.4 | E400 T421 R450 | E400-R423 IonicContact OE1-CZ 2.69Å; E400-R423 VanDerWaalsContact OE1-CZ 3.24Å; E400-R423 IonicContact OE1-NE 3.78Å; E400-R423 PolarHBondContact OE1-NE 3.47Å; E400-R423 IonicContact OE1-NH2 2.68Å; E400-R423 PolarHBondContact OE1-NH2 2.88Å; E400-R423 IonicContact OE2-NH2 3.51Å; E400-R423 PolarHBondContact OE2-NH2 3.21Å; T421-R423 PolarHBondContact O-N 3.36Å; T421-R423 VanDerWaalsContact O-N 3.14Å; T421-R423 PolarHBondContact OG1-N 3.25Å; R423-R450 WeakPolarHBondContact O-CA 3.49Å |
| 424 | G | 85.2 | Confident | 90.2 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | S | Bend | trans | 85.1 | 19 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | T421 I445 V451 | T421-G424 PolarHBondContact O-N 3.11Å; T421-G424 VanDerWaalsContact O-N 3.14Å; G424-I445 PolarHBondContact O-N 2.93Å; G424-V451 WeakPolarHBondContact CA-O 3.48Å; G424-V451 PolarHBondContact N-O 3.05Å |
| 425 | T | 87.5 | Confident | 90.6 | Very high | 14 Ų | 14 | 22.7 Ų | 22.7 | 9% | 0.086 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 149.9 | 173.7 | 64.8 | 0 | 0 | 0 | 0 | 110.9 | E400 G420 T421 E442 Q443 I453 | E400-T425 PolarHBondContact OE1-OG1 2.84Å; G420-T425 CarbonylContact C-O 3.59Å; G420-T425 WeakPolarHBondContact CA-O 3.22Å; T421-T425 WeakPolarHBondContact CB-OG1 3.29Å; T421-T425 WeakPolarHBondContact CG2-OG1 3.4Å; T421-T425 PolarHBondContact N-O 3.01Å; T421-T425 PolarHBondContact OG1-N 2.87Å; T421-T425 VanDerWaalsContact OG1-N 3.1Å; T421-T425 PolarHBondContact OG1-O 3.2Å; T421-T425 PolarHBondContact OG1-OG1 3.38Å; T425-E442 WeakPolarHBondContact CB-OE1 3.03Å; T425-E442 PolarHBondContact OG1-OE1 2.96Å; T425-Q443 CarbonylContact C-O 3.45Å; T425-Q443 WeakPolarHBondContact CA-O 3.09Å; T425-I453 WeakPolarHBondContact O-CD1 3.39Å |
| 426 | W | 87.5 | Confident | 90.7 | Very high | 5 Ų | 5 | 30.3 Ų | 30.3 | 2% | 0.019 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 113.4 | -177.6 | -176.3 | -109.4 | 0 | 0 | 0 | 108.6 | L418 Q443 I445 I453 V457 V466 L468 | L418-W426 HydrophobicContact CB-CH2 3.52Å; L418-W426 HydrophobicContact CB-CZ2 3.2Å; L418-W426 HydrophobicContact CD1-CZ2 3.87Å; L418-W426 HydrophobicContact CG-CZ2 4.05Å; W426-Q443 PolarHBondContact N-O 3.36Å; W426-Q443 PolarHBondContact O-N 3.12Å; W426-I445 HydrophobicContact CB-CD1 3.98Å; W426-I445 HydrophobicContact CB-CG1 3.52Å; W426-I445 HydrophobicContact CG-CD1 4.44Å; W426-I445 HydrophobicContact CG-CG1 4.29Å; W426-I453 HydrophobicContact CB-CD1 4.45Å; W426-I453 HydrophobicContact CE3-CD1 4.01Å; W426-V457 HydrophobicContact CH2-CG1 3.76Å; W426-V457 HydrophobicContact CZ3-CG1 4.37Å; W426-V457 HydrophobicContact CZ3-CG2 4.36Å; W426-V466 HydrophobicContact CH2-CG1 4.17Å; W426-V466 HydrophobicContact CZ2-CG1 3.98Å; W426-L468 HydrophobicContact CD2-CD1 4.17Å; W426-L468 HydrophobicContact CD2-CD2 4.32Å; W426-L468 HydrophobicContact CE3-CD1 4.13Å; W426-L468 HydrophobicContact CE3-CD2 3.78Å; W426-L468 HydrophobicContact CH2-CD2 3.53Å; W426-L468 HydrophobicContact CZ2-CD2 3.96Å; W426-L468 HydrophobicContact CZ3-CD2 3.4Å; W426-L468 VanDerWaalsContact CZ3-CD2 3.4Å |
| 427 | K | 91.5 | Very high | 90.7 | Very high | 6 Ų | 6 | 30.6 Ų | 30.6 | 3% | 0.026 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 140 | -176.2 | -68.1 | 179.7 | 170 | -71.2 | 0 | 110.2 | Y397 E400 L418 V419 T421 L429 E439 E441 E442 | Y397-K427 HydrophobicContact CE1-CD 3.76Å; E400-K427 WeakPolarHBondContact OE2-CE 3.43Å; E400-K427 IonicContact OE2-NZ 2.82Å; L418-K427 WeakPolarHBondContact CA-O 3.25Å; V419-K427 HydrophobicContact CB-CB 4.47Å; V419-K427 PolarHBondContact N-O 2.93Å; V419-K427 PolarHBondContact O-N 3.02Å; T421-K427 HydrophobicContact CG2-CD 4.31Å; K427-L429 HydrophobicContact CB-CD1 4.21Å; K427-E439 IonicContact NZ-OE1 3.33Å; K427-E439 PolarHBondContact NZ-OE1 3.2Å; K427-E439 IonicContact NZ-OE2 2.8Å; K427-E439 PolarHBondContact NZ-OE2 2.89Å; K427-E441 WeakPolarHBondContact CA-O 3.32Å; K427-E442 HydrophobicContact CG-CB 4.23Å; K427-E442 HydrophobicContact CG-CG 4.05Å; K427-E442 IonicContact NZ-OE1 3.75Å; K427-E442 IonicContact NZ-OE2 3.07Å; K427-E442 PolarHBondContact NZ-OE2 3.19Å |
| 428 | K | 92.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 125.6 | 176.1 | -49.9 | -175.9 | -168 | 160.4 | 0 | 109.8 | L418 Y440 E441 I479 | L418-K428 HydrophobicContact CD2-CB 4.14Å; L418-K428 HydrophobicContact CD2-CD 4.15Å; L418-K428 HydrophobicContact CD2-CG 3.75Å; K428-Y440 HydrophobicContact CB-CD1 4.43Å; K428-Y440 HydrophobicContact CB-CD2 4.47Å; K428-Y440 HydrophobicContact CB-CE1 3.75Å; K428-Y440 HydrophobicContact CB-CE2 3.8Å; K428-Y440 VanDerWaalsContact CB-CZ 3.41Å; K428-Y440 HydrophobicContact CD-CE2 4.05Å; K428-Y440 WeakPolarHBondContact O-CD1 3.38Å; K428-Y440 PolarHBondContact O-N 3.02Å; K428-E441 HydrophobicContact CB-CB 4.31Å; K428-E441 HydrophobicContact CD-CB 4.31Å; K428-E441 WeakPolarHBondContact CD-OE2 3.31Å; K428-E441 VanDerWaalsContact CE-OE2 3.32Å; K428-E441 WeakPolarHBondContact CE-OE2 3.38Å; K428-E441 HydrophobicContact CG-CB 4.4Å; K428-E441 PolarHBondContact N-O 3.3Å; K428-E441 IonicContact NZ-OE1 3.09Å; K428-E441 IonicContact NZ-OE2 3.6Å; K428-E441 PolarHBondContact NZ-OE2 3.05Å; K428-I479 VanDerWaalsContact CE-O 3.27Å; K428-I479 WeakPolarHBondContact CE-O 3.31Å; K428-I479 PolarHBondContact NZ-O 3.3Å |
| 429 | L | 94.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 136.8 | -178 | -54.7 | 90.5 | 0 | 0 | 0 | 110.5 | I326 K395 V416 L417 V419 K427 A437 R438 E439 | I326-L429 HydrophobicContact CD1-CD1 4.33Å; I326-L429 HydrophobicContact CD1-CD2 3.94Å; K395-L429 HydrophobicContact CB-CD2 4.14Å; K395-L429 HydrophobicContact CG-CD2 4.01Å; V416-L429 CarbonylContact C-O 3.57Å; V416-L429 WeakPolarHBondContact CA-O 3.35Å; L417-L429 HydrophobicContact CB-CB 4.32Å; L417-L429 PolarHBondContact N-O 3.16Å; L417-L429 PolarHBondContact O-N 3.22Å; V419-L429 HydrophobicContact CB-CD1 4.2Å; V419-L429 HydrophobicContact CG2-CD1 3.77Å; K427-L429 HydrophobicContact CB-CD1 4.21Å; L429-A437 HydrophobicContact CB-CB 4.43Å; L429-A437 HydrophobicContact CD2-CB 4.12Å; L429-R438 CarbonylContact C-O 3.55Å; L429-R438 VanDerWaalsContact CA-O 3.29Å; L429-R438 WeakPolarHBondContact CA-O 3.38Å; L429-E439 HydrophobicContact CD2-CB 4.32Å; L429-E439 HydrophobicContact CG-CB 4.16Å |
| 430 | L | 91.8 | Very high | 90.2 | Very high | 34 Ų | 34 | 40 Ų | 40 | 18% | 0.178 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 124.7 | 167.6 | 179.9 | 65.1 | 0 | 0 | 0 | 108.5 | V416 A437 R438 Y440 P497 | V416-L430 HydrophobicContact CG2-CD1 4.44Å; L430-A437 WeakPolarHBondContact O-CA 3.45Å; L430-R438 PolarHBondContact N-O 3.01Å; L430-R438 PolarHBondContact O-N 3.18Å; L430-Y440 HydrophobicContact CB-CD1 4.24Å; L430-Y440 HydrophobicContact CB-CE1 4.38Å; L430-P497 HydrophobicContact CD1-CB 4.38Å; L430-P497 HydrophobicContact CD1-CG 4.2Å |
| 431 | L | 92.6 | Very high | 89.9 | Confident | 6 Ų | 6 | 42.4 Ų | 42.4 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 118.9 | 177.8 | -170.5 | 69.2 | 0 | 0 | 0 | 109.6 | L296 F300 L328 A394 T415 L417 S433 A437 | L296-L431 HydrophobicContact CD1-CD2 4Å; F300-L431 HydrophobicContact CD1-CD2 4.43Å; F300-L431 HydrophobicContact CD2-CD2 4.31Å; F300-L431 HydrophobicContact CE1-CD2 3.75Å; F300-L431 HydrophobicContact CE1-CG 4.12Å; F300-L431 HydrophobicContact CE2-CB 4.42Å; F300-L431 HydrophobicContact CE2-CD2 3.62Å; F300-L431 HydrophobicContact CE2-CG 4.06Å; F300-L431 HydrophobicContact CZ-CB 4.22Å; F300-L431 HydrophobicContact CZ-CD2 3.32Å; F300-L431 HydrophobicContact CZ-CG 3.48Å; F300-L431 VanDerWaalsContact CZ-CG 3.48Å; L328-L431 HydrophobicContact CD1-CD1 3.87Å; L328-L431 HydrophobicContact CD2-CD1 3.71Å; L328-L431 HydrophobicContact CD2-CD2 3.36Å; L328-L431 HydrophobicContact CD2-CG 4.16Å; L328-L431 HydrophobicContact CG-CD1 4.49Å; A394-L431 HydrophobicContact CB-CD1 4.43Å; T415-L431 HydrophobicContact CG2-CD2 4.33Å; T415-L431 PolarHBondContact O-N 2.03Å; L417-L431 HydrophobicContact CD1-CD1 4.34Å; L431-S433 WeakPolarHBondContact CD1-O 3.29Å; L431-A437 HydrophobicContact CD1-CB 4.18Å |
| 432 | E | 89.3 | Confident | 89.6 | Confident | 86 Ų | 86 | 46.2 Ų | 46.2 | 40% | 0.402 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -35.8 | -179.6 | -63.4 | 179.6 | 157.2 | 0 | 0 | 111.4 | R436 R438 | E432-R436 PolarHBondContact N-O 3.1Å; E432-R436 VanDerWaalsContact OE2-CD 3.29Å; E432-R436 WeakPolarHBondContact OE2-CD 3.39Å; E432-R436 WeakPolarHBondContact OE2-CG 3.42Å; E432-R436 IonicContact OE2-CZ 2.79Å; E432-R436 IonicContact OE2-NE 3.73Å; E432-R436 PolarHBondContact OE2-NE 3Å; E432-R436 IonicContact OE2-NH2 3.05Å; E432-R438 HydrophobicContact CG-CB 4.48Å |
| 433 | S | 89.6 | Confident | 89.2 | Confident | 40 Ų | 40 | 44.8 Ų | 44.8 | 28% | 0.28 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 177.3 | 173.3 | 75.9 | 0 | 0 | 0 | 0 | 109.9 | L431 S435 R436 | L431-S433 WeakPolarHBondContact CD1-O 3.29Å; S433-S435 PolarHBondContact O-N 2.86Å; S433-S435 PolarHBondContact OG-N 3.15Å; S433-S435 PolarHBondContact OG-OG 2.86Å; S433-R436 PolarHBondContact N-O 3.38Å; S433-R436 PolarHBondContact O-N 3.16Å; S433-R436 VanDerWaalsContact O-O 3.1Å; S433-R436 WeakPolarHBondContact OG-CB 3.42Å; S433-R436 PolarHBondContact OG-N 3.26Å; S433-R436 VanDerWaalsContact OG-N 3.12Å |
| 434 | T | 87.2 | Confident | 89.1 | Confident | 59 Ų | 59 | 42.6 Ų | 42.6 | 36% | 0.362 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -18.4 | 174.7 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | F300 Y305 | F300-T434 HydrophobicContact CD1-CG2 4.29Å; F300-T434 HydrophobicContact CE1-CG2 4.3Å; Y305-T434 HydrophobicContact CE1-CG2 3.92Å |
| 435 | S | 89.3 | Confident | 88.6 | Confident | 61 Ų | 61 | 43.4 Ų | 43.4 | 43% | 0.427 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | 7.3 | -179.1 | 61.3 | 0 | 0 | 0 | 0 | 113.8 | A394 S433 | A394-S435 VanDerWaalsContact CA-C 3.45Å; S433-S435 PolarHBondContact O-N 2.86Å; S433-S435 PolarHBondContact OG-N 3.15Å; S433-S435 PolarHBondContact OG-OG 2.86Å |
| 436 | R | 92.9 | Very high | 87.7 | Confident | 160 Ų | 160 | 43.6 Ų | 43.6 | 60% | 0.604 | 22% | 0.216 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 124.9 | -179.4 | -170.5 | 172.6 | 164.2 | 155.8 | 0.7 | 112.3 | A394 E432 S433 | A394-R436 CarbonylContact O-C 3.55Å; A394-R436 WeakPolarHBondContact O-CA 3.12Å; E432-R436 PolarHBondContact N-O 3.1Å; E432-R436 VanDerWaalsContact OE2-CD 3.29Å; E432-R436 WeakPolarHBondContact OE2-CD 3.39Å; E432-R436 WeakPolarHBondContact OE2-CG 3.42Å; E432-R436 IonicContact OE2-CZ 2.79Å; E432-R436 IonicContact OE2-NE 3.73Å; E432-R436 PolarHBondContact OE2-NE 3Å; E432-R436 IonicContact OE2-NH2 3.05Å; S433-R436 PolarHBondContact N-O 3.38Å; S433-R436 PolarHBondContact O-N 3.16Å; S433-R436 VanDerWaalsContact O-O 3.1Å; S433-R436 WeakPolarHBondContact OG-CB 3.42Å; S433-R436 PolarHBondContact OG-N 3.26Å; S433-R436 VanDerWaalsContact OG-N 3.12Å |
| 437 | A | 92.3 | Very high | 86.5 | Confident | 6 Ų | 6 | 45.4 Ų | 45.4 | 5% | 0.05 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 139.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | A394 K395 L429 L430 L431 | A394-A437 HydrophobicContact CB-CB 4.11Å; A394-A437 PolarHBondContact O-N 3.02Å; K395-A437 HydrophobicContact CB-CB 4.38Å; L429-A437 HydrophobicContact CB-CB 4.43Å; L429-A437 HydrophobicContact CD2-CB 4.12Å; L430-A437 WeakPolarHBondContact O-CA 3.45Å; L431-A437 HydrophobicContact CD1-CB 4.18Å |
| 438 | R | 91.9 | Very high | 85.1 | Confident | 105 Ų | 105 | 53 Ų | 53 | 40% | 0.396 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 112.2 | 179.6 | -172.6 | -179 | 73.2 | 144.4 | 1.7 | 110.1 | L429 L430 E432 Y440 G495 | L429-R438 CarbonylContact C-O 3.55Å; L429-R438 VanDerWaalsContact CA-O 3.29Å; L429-R438 WeakPolarHBondContact CA-O 3.38Å; L430-R438 PolarHBondContact N-O 3.01Å; L430-R438 PolarHBondContact O-N 3.18Å; E432-R438 HydrophobicContact CG-CB 4.48Å; R438-Y440 PolarHBondContact O-N 3.23Å; R438-G495 PolarHBondContact NH2-O 3.23Å; R438-G495 VanDerWaalsContact NH2-O 3.08Å |
| 439 | E | 91.7 | Very high | 83.7 | Confident | 56 Ų | 56 | 61 Ų | 61 | 26% | 0.262 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 124.7 | 167.5 | -178.1 | 177.3 | 150.2 | 0 | 0 | 109.3 | Y397 K427 L429 | Y397-E439 WeakPolarHBondContact CE1-OE2 3.27Å; Y397-E439 VanDerWaalsContact CZ-OE2 3.26Å; Y397-E439 PolarHBondContact OH-OE2 3.38Å; K427-E439 IonicContact NZ-OE1 3.33Å; K427-E439 PolarHBondContact NZ-OE1 3.2Å; K427-E439 IonicContact NZ-OE2 2.8Å; K427-E439 PolarHBondContact NZ-OE2 2.89Å; L429-E439 HydrophobicContact CD2-CB 4.32Å; L429-E439 HydrophobicContact CG-CB 4.16Å |
| 440 | Y | 88.5 | Confident | 82.7 | Confident | 37 Ų | 37 | 71.1 Ų | 71.1 | 15% | 0.145 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | -17.2 | 179.4 | 65.7 | -94.3 | 0 | 0 | 0 | 112.8 | V416 K428 L430 R438 D496 P497 | V416-Y440 HydrophobicContact CG1-CE1 4.39Å; K428-Y440 HydrophobicContact CB-CD1 4.43Å; K428-Y440 HydrophobicContact CB-CD2 4.47Å; K428-Y440 HydrophobicContact CB-CE1 3.75Å; K428-Y440 HydrophobicContact CB-CE2 3.8Å; K428-Y440 VanDerWaalsContact CB-CZ 3.41Å; K428-Y440 HydrophobicContact CD-CE2 4.05Å; K428-Y440 WeakPolarHBondContact O-CD1 3.38Å; K428-Y440 PolarHBondContact O-N 3.02Å; L430-Y440 HydrophobicContact CB-CD1 4.24Å; L430-Y440 HydrophobicContact CB-CE1 4.38Å; R438-Y440 PolarHBondContact O-N 3.23Å; Y440-D496 HydrophobicContact CD2-CB 3.99Å; Y440-D496 HydrophobicContact CE2-CB 3.77Å; Y440-P497 HydrophobicContact CE1-CG 4.47Å |
| 441 | E | 85.7 | Confident | 82.2 | Confident | 51 Ų | 51 | 70.9 Ų | 70.9 | 24% | 0.238 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 140.3 | 177 | -164.8 | -179.5 | 174.8 | 0 | 0 | 112.2 | K427 K428 | K427-E441 WeakPolarHBondContact CA-O 3.32Å; K428-E441 HydrophobicContact CB-CB 4.31Å; K428-E441 HydrophobicContact CD-CB 4.31Å; K428-E441 WeakPolarHBondContact CD-OE2 3.31Å; K428-E441 VanDerWaalsContact CE-OE2 3.32Å; K428-E441 WeakPolarHBondContact CE-OE2 3.38Å; K428-E441 HydrophobicContact CG-CB 4.4Å; K428-E441 PolarHBondContact N-O 3.3Å; K428-E441 IonicContact NZ-OE1 3.09Å; K428-E441 IonicContact NZ-OE2 3.6Å; K428-E441 PolarHBondContact NZ-OE2 3.05Å |
| 442 | E | 86.3 | Confident | 82 | Confident | 80 Ų | 80 | 72.3 Ų | 72.3 | 37% | 0.374 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 129.1 | 166.1 | 175.7 | 174.3 | -170.1 | 0 | 0 | 109.5 | T425 K427 | T425-E442 WeakPolarHBondContact CB-OE1 3.03Å; T425-E442 PolarHBondContact OG1-OE1 2.96Å; K427-E442 HydrophobicContact CG-CB 4.23Å; K427-E442 HydrophobicContact CG-CG 4.05Å; K427-E442 IonicContact NZ-OE1 3.75Å; K427-E442 IonicContact NZ-OE2 3.07Å; K427-E442 PolarHBondContact NZ-OE2 3.19Å |
| 443 | Q | 80.8 | Confident | 82.1 | Confident | 28 Ų | 28 | 68.4 Ų | 68.4 | 13% | 0.131 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 130 | -179.7 | -171.7 | 172 | 41.2 | 0 | 0 | 111.3 | S20 T425 W426 I445 | S20-Q443 VanDerWaalsContact CB-NE2 3.26Å; S20-Q443 VanDerWaalsContact CB-OE1 3.27Å; S20-Q443 PolarHBondContact OG-NE2 3.3Å; S20-Q443 PolarHBondContact OG-OE1 3.48Å; T425-Q443 CarbonylContact C-O 3.45Å; T425-Q443 WeakPolarHBondContact CA-O 3.09Å; W426-Q443 PolarHBondContact N-O 3.36Å; W426-Q443 PolarHBondContact O-N 3.12Å; Q443-I445 HydrophobicContact CB-CD1 4.39Å; Q443-I445 HydrophobicContact CG-CD1 3.99Å; Q443-I445 PolarHBondContact O-N 2.8Å |
| 444 | S | 82.4 | Confident | 82.1 | Confident | 59 Ų | 59 | 68.2 Ų | 68.2 | 41% | 0.413 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 118.4 | 166.1 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | G447 | S444-G447 PolarHBondContact OG-N 2.8Å; S444-G447 PolarHBondContact OG-O 2.8Å |
| 445 | I | 76.3 | Confident | 82.3 | Confident | 18 Ų | 18 | 68.6 Ų | 68.6 | 9% | 0.092 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -89.1 | -38.2 | -176.8 | -60.5 | -61 | 0 | 0 | 0 | 111 | V21 G424 W426 Q443 L468 L475 V477 | V21-I445 HydrophobicContact CG2-CG2 4.1Å; G424-I445 PolarHBondContact O-N 2.93Å; W426-I445 HydrophobicContact CB-CD1 3.98Å; W426-I445 HydrophobicContact CB-CG1 3.52Å; W426-I445 HydrophobicContact CG-CD1 4.44Å; W426-I445 HydrophobicContact CG-CG1 4.29Å; Q443-I445 HydrophobicContact CB-CD1 4.39Å; Q443-I445 HydrophobicContact CG-CD1 3.99Å; Q443-I445 PolarHBondContact O-N 2.8Å; I445-L468 HydrophobicContact CG1-CD1 4.13Å; I445-L468 HydrophobicContact CG2-CD1 4.2Å; I445-L475 HydrophobicContact CG2-CD1 3.43Å; I445-L475 VanDerWaalsContact CG2-CD1 3.43Å; I445-V477 HydrophobicContact CD1-CG1 3.92Å; I445-V477 HydrophobicContact CD1-CG2 4.34Å; I445-V477 HydrophobicContact CG2-CG2 4.17Å |
| 446 | V | 66.9 | Low | 82.3 | Confident | 17 Ų | 17 | 67.7 Ų | 67.7 | 10% | 0.103 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -99.7 | 15.8 | -173.7 | -154.3 | 0 | 0 | 0 | 0 | 112 | R449 V451 T470 L475 | V446-R449 HydrophobicContact CG1-CB 4.01Å; V446-R449 WeakPolarHBondContact O-CB 3.36Å; V446-R449 PolarHBondContact O-N 2.86Å; V446-V451 HydrophobicContact CG1-CB 4.42Å; V446-V451 HydrophobicContact CG1-CG2 4.44Å; V446-T470 HydrophobicContact CG2-CG2 4.18Å; V446-L475 HydrophobicContact CG2-CD1 4.5Å |
| 447 | G | 63.6 | Low | 82.3 | Confident | 43 Ų | 43 | 60.8 Ų | 60.8 | 44% | 0.443 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | -136.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S444 R449 | S444-G447 PolarHBondContact OG-N 2.8Å; S444-G447 PolarHBondContact OG-O 2.8Å; G447-R449 VanDerWaalsContact C-N 3.25Å; G447-R449 PolarHBondContact O-N 2.6Å |
| 448 | D | 61 | Low | 82.3 | Confident | 165 Ų | 165 | 62.7 Ų | 62.7 | 88% | 0.882 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -4.5 | 176.7 | -84.4 | -28.5 | 0 | 0 | 0 | 113.7 | R450 | D448-R450 PolarHBondContact O-N 2.77Š|
| 449 | R | 64.3 | Low | 82.3 | Confident | 170 Ų | 170 | 59.1 Ų | 59.1 | 64% | 0.642 | 30% | 0.297 | S | S | * | . | trans | -76.6 | 96.7 | 176.2 | -59 | -179.9 | 179.2 | 179.8 | 1.2 | 107.3 | V446 G447 V451 | V446-R449 HydrophobicContact CG1-CB 4.01Å; V446-R449 WeakPolarHBondContact O-CB 3.36Å; V446-R449 PolarHBondContact O-N 2.86Å; G447-R449 VanDerWaalsContact C-N 3.25Å; G447-R449 PolarHBondContact O-N 2.6Å; R449-V451 HydrophobicContact CB-CG2 3.96Å; R449-V451 PolarHBondContact O-N 3.37Å | ||
| 450 | R | 72.8 | Confident | 82.3 | Confident | 212 Ų | 212 | 56.6 Ų | 56.6 | 80% | 0.8 | 29% | 0.285 | S | S | * | . | trans | -66.4 | 70.3 | 179.2 | -61.8 | -180 | -176.8 | -172.1 | -0.2 | 111.8 | R423 D448 | R423-R450 WeakPolarHBondContact O-CA 3.49Å; D448-R450 PolarHBondContact O-N 2.77Å | ||
| 451 | V | 81.8 | Confident | 82.3 | Confident | 29 Ų | 29 | 59.1 Ų | 59.1 | 18% | 0.176 | 31% | 0.305 | C | S | . | . | trans | -109.5 | 129.9 | -174.6 | -175.8 | 0 | 0 | 0 | 0 | 109.4 | G424 V446 R449 T470 | G424-V451 WeakPolarHBondContact CA-O 3.48Å; G424-V451 PolarHBondContact N-O 3.05Å; V446-V451 HydrophobicContact CG1-CB 4.42Å; V446-V451 HydrophobicContact CG1-CG2 4.44Å; R449-V451 HydrophobicContact CB-CG2 3.96Å; R449-V451 PolarHBondContact O-N 3.37Å; V451-T470 HydrophobicContact CG1-CG2 4.08Å | ||
| 452 | P | 87.3 | Confident | 82.3 | Confident | 37 Ų | 37 | 61.4 Ų | 61.4 | 24% | 0.24 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 137.2 | -176.2 | 27.2 | -35 | 0 | 0 | 0 | 112.5 | V422 | V422-P452 HydrophobicContact CG2-CB 4.22Å; V422-P452 WeakPolarHBondContact O-CA 3.46Å |
| 453 | I | 90.8 | Very high | 82.4 | Confident | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.015 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -77 | 126.1 | 169.3 | -56.5 | -179.3 | 0 | 0 | 0 | 108.4 | T403 S404 T421 T425 W426 V457 L468 | T403-I453 WeakPolarHBondContact CB-O 3.18Å; T403-I453 PolarHBondContact OG1-O 3.04Å; S404-I453 WeakPolarHBondContact OG-CG2 3.27Å; T421-I453 PolarHBondContact O-N 2.81Å; T425-I453 WeakPolarHBondContact O-CD1 3.39Å; W426-I453 HydrophobicContact CB-CD1 4.45Å; W426-I453 HydrophobicContact CE3-CD1 4.01Å; I453-V457 HydrophobicContact CG2-CG2 4.36Å; I453-L468 HydrophobicContact CD1-CD1 4.44Å; I453-L468 HydrophobicContact CG2-CB 4.48Å; I453-L468 HydrophobicContact CG2-CD2 4.31Å |
| 454 | K | 91.1 | Very high | 82.7 | Confident | 37 Ų | 37 | 65.6 Ų | 65.6 | 16% | 0.161 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 156.6 | -179.3 | -63.4 | -66.4 | -172.6 | -175.7 | 0 | 111.9 | S404 D456 M469 D471 | S404-K454 WeakPolarHBondContact CB-O 3.21Å; K454-D456 VanDerWaalsContact C-N 3.29Å; K454-D456 PolarHBondContact O-N 2.95Å; K454-M469 HydrophobicContact CB-CB 4.34Å; K454-M469 HydrophobicContact CB-CE 3.7Å; K454-M469 HydrophobicContact CB-CG 4.43Å; K454-M469 WeakPolarHBondContact CB-O 3.24Å; K454-M469 HydrophobicContact CG-CE 4.03Å; K454-M469 HydrophobicContact CG-CG 4.32Å; K454-M469 WeakPolarHBondContact CG-O 3.48Å; K454-M469 PolarHBondContact N-O 3.5Å; K454-D471 VanDerWaalsContact CE-CG 3.41Å; K454-D471 WeakPolarHBondContact CE-OD1 3.36Å; K454-D471 IonicContact NZ-OD1 3.93Å; K454-D471 PolarHBondContact NZ-OD1 3.42Å; K454-D471 IonicContact NZ-OD2 3.71Å; K454-D471 PolarHBondContact NZ-OD2 3.35Å; K454-D471 VanDerWaalsContact NZ-OD2 3.14Å |
| 455 | P | 90 | Very high | 83 | Confident | 66 Ų | 66 | 64.4 Ų | 64.4 | 43% | 0.429 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -59.4 | -32.3 | -177.9 | -26.4 | 35.8 | 0 | 0 | 0 | 115.3 | A290 V457 | A290-P455 HydrophobicContact CB-CB 4.27Å; P455-V457 PolarHBondContact O-N 3.38Å |
| 456 | D | 90.4 | Very high | 83.8 | Confident | 43 Ų | 43 | 63.6 Ų | 63.6 | 23% | 0.23 | 32% | 0.317 | C | S | . | . | trans | -73.8 | 87.5 | -177 | -69.6 | 6.1 | 0 | 0 | 0 | 111 | H37 M38 K454 M469 | H37-D456 WeakPolarHBondContact CA-OD2 3.37Å; H37-D456 IonicContact CG-OD2 2.64Å; H37-D456 IonicContact ND1-OD2 3.97Å; H37-D456 PolarHBondContact ND1-OD2 3.19Å; M38-D456 HydrophobicContact CB-CB 4.28Å; M38-D456 VanDerWaalsContact CE-O 3.26Å; M38-D456 WeakPolarHBondContact CE-O 3.3Å; M38-D456 PolarHBondContact N-OD2 2.79Å; K454-D456 VanDerWaalsContact C-N 3.29Å; K454-D456 PolarHBondContact O-N 2.95Å; D456-M469 HydrophobicContact CB-CE 3.97Å | ||
| 457 | V | 92.1 | Very high | 85.1 | Confident | 15 Ų | 15 | 62.9 Ų | 62.9 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | trans | -112.7 | 123.9 | 176.7 | 178.9 | 0 | 0 | 0 | 0 | 109.7 | A406 W426 I453 P455 V466 L468 | A406-V457 HydrophobicContact CB-CB 4.34Å; A406-V457 HydrophobicContact CB-CG1 3.81Å; W426-V457 HydrophobicContact CH2-CG1 3.76Å; W426-V457 HydrophobicContact CZ3-CG1 4.37Å; W426-V457 HydrophobicContact CZ3-CG2 4.36Å; I453-V457 HydrophobicContact CG2-CG2 4.36Å; P455-V457 PolarHBondContact O-N 3.38Å; V457-V466 HydrophobicContact CG1-CG1 3.22Å; V457-L468 HydrophobicContact CB-CD2 4.42Å; V457-L468 HydrophobicContact CG1-CD2 3.66Å; V457-L468 HydrophobicContact CG2-CD2 3.88Å | ||
| 458 | L | 92.7 | Very high | 86.4 | Confident | 46 Ų | 46 | 61 Ų | 61 | 24% | 0.241 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 136.5 | -171.9 | -57.1 | 176.7 | 0 | 0 | 0 | 111.1 | M38 R40 L47 V466 Y467 | M38-L458 HydrophobicContact CE-CD1 4.24Å; M38-L458 HydrophobicContact CE-CG 4.26Å; M38-L458 HydrophobicContact CG-CD1 3.94Å; R40-L458 HydrophobicContact CB-CD1 3.97Å; L47-L458 HydrophobicContact CD2-CD1 4.12Å; L458-V466 CarbonylContact O-C 3.4Å; L458-V466 WeakPolarHBondContact O-CA 3.45Å; L458-Y467 HydrophobicContact CB-CD2 4.43Å; L458-Y467 PolarHBondContact N-O 2.7Å; L458-Y467 WeakPolarHBondContact O-CD2 3.31Å; L458-Y467 PolarHBondContact O-N 3.03Å |
| 459 | F | 92.8 | Very high | 87.9 | Confident | 29 Ų | 29 | 53.1 Ų | 53.1 | 13% | 0.127 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 157 | 167.6 | -67.3 | -80 | 0 | 0 | 0 | 111.3 | R40 A406 V407 D408 L418 R463 V466 I479 | R40-F459 PolarHBondContact NH1-O 3Å; A406-F459 HydrophobicContact CB-CE2 3.95Å; A406-F459 HydrophobicContact CB-CZ 3.99Å; V407-F459 WeakPolarHBondContact O-CE2 3.41Å; D408-F459 HydrophobicContact CB-CE1 4.11Å; D408-F459 HydrophobicContact CB-CZ 3.79Å; L418-F459 HydrophobicContact CD1-CE1 3.89Å; L418-F459 HydrophobicContact CD1-CZ 4Å; F459-R463 HydrophobicContact CB-CG 4.1Å; F459-R463 HydrophobicContact CD1-CB 4.45Å; F459-R463 HydrophobicContact CG-CG 4.43Å; F459-V466 HydrophobicContact CD1-CG2 3.45Å; F459-V466 VanDerWaalsContact CD1-CG2 3.45Å; F459-V466 HydrophobicContact CE1-CG2 3.48Å; F459-V466 VanDerWaalsContact CE1-CG2 3.48Å; F459-V466 HydrophobicContact CG-CG2 4.28Å; F459-V466 HydrophobicContact CZ-CG2 4.34Å; F459-I479 HydrophobicContact CD1-CD1 3.83Å; F459-I479 HydrophobicContact CE1-CD1 3.77Å |
| 460 | D | 91.2 | Very high | 89.2 | Confident | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | trans | -77.8 | 174.6 | 162.8 | 68.2 | -7.8 | 0 | 0 | 0 | 112.1 | R40 D462 R463 Q464 H465 Y467 | R40-D460 PolarHBondContact NH1-O 2.84Å; D460-D462 VanDerWaalsContact C-N 3.26Å; D460-D462 PolarHBondContact O-N 3.32Å; D460-R463 PolarHBondContact O-N 3.04Å; D460-R463 WeakPolarHBondContact OD1-CA 2.99Å; D460-R463 PolarHBondContact OD1-N 3.31Å; D460-Q464 PolarHBondContact OD1-N 2.67Å; D460-H465 HydrophobicContact CB-CB 4.46Å; D460-H465 PolarHBondContact N-O 3.41Å; D460-H465 PolarHBondContact OD1-N 3.09Å; D460-H465 VanDerWaalsContact OD2-CB 3.25Å; D460-H465 WeakPolarHBondContact OD2-CB 3.47Å; D460-H465 IonicContact OD2-CE1 2.7Å; D460-H465 IonicContact OD2-CG 3.74Å; D460-H465 PolarHBondContact OD2-N 2.82Å; D460-H465 IonicContact OD2-ND1 2.78Å; D460-H465 PolarHBondContact OD2-ND1 3.06Å; D460-Y467 HydrophobicContact CB-CE2 3.8Å | ||
| 461 | T | 88.6 | Confident | 89.9 | Confident | 91 Ų | 91 | 37.4 Ų | 37.4 | 56% | 0.558 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -36.7 | -168.4 | -53.4 | 0 | 0 | 0 | 0 | 111.8 | ||
| 462 | D | 85.4 | Confident | 90.1 | Very high | 98 Ų | 98 | 38.2 Ų | 38.2 | 52% | 0.524 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -1.4 | 178.9 | 52.2 | -38.5 | 0 | 0 | 0 | 113.9 | D460 Q464 | D460-D462 VanDerWaalsContact C-N 3.26Å; D460-D462 PolarHBondContact O-N 3.32Å; D462-Q464 HydrophobicContact CB-CG 4.34Å; D462-Q464 PolarHBondContact O-N 3.07Å |
| 463 | R | 88.2 | Confident | 90.2 | Very high | 123 Ų | 123 | 37.2 Ų | 37.2 | 46% | 0.464 | 19% | 0.19 | S | C | . | . | S | Bend | trans | 52.5 | 34.6 | -178.5 | -57.5 | -173.8 | 172.6 | -150.6 | 2.8 | 114 | D408 F459 D460 I479 | D408-R463 IonicContact OD1-NH1 3.88Å; D408-R463 PolarHBondContact OD1-NH1 3.41Å; D408-R463 VanDerWaalsContact OD1-NH1 3.07Å; F459-R463 HydrophobicContact CB-CG 4.1Å; F459-R463 HydrophobicContact CD1-CB 4.45Å; F459-R463 HydrophobicContact CG-CG 4.43Å; D460-R463 PolarHBondContact O-N 3.04Å; D460-R463 WeakPolarHBondContact OD1-CA 2.99Å; D460-R463 PolarHBondContact OD1-N 3.31Å; R463-I479 VanDerWaalsContact O-CD1 3.3Å; R463-I479 WeakPolarHBondContact O-CD1 3.39Å |
| 464 | Q | 86.1 | Confident | 90.3 | Very high | 74 Ų | 74 | 37 Ų | 37 | 35% | 0.346 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -95.5 | -21.8 | 173.2 | -63.3 | -57.7 | -58.5 | 0 | 0 | 111.9 | D460 D462 I479 | D460-Q464 PolarHBondContact OD1-N 2.67Å; D462-Q464 HydrophobicContact CB-CG 4.34Å; D462-Q464 PolarHBondContact O-N 3.07Å; Q464-I479 PolarHBondContact O-N 2.83Å |
| 465 | H | 90.4 | Very high | 90.3 | Very high | 33 Ų | 33 | 35.5 Ų | 35.5 | 15% | 0.153 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 159.9 | 179.5 | -47.8 | 82.1 | 0 | 0 | 0 | 111.4 | D460 K476 V477 | D460-H465 HydrophobicContact CB-CB 4.46Å; D460-H465 PolarHBondContact N-O 3.41Å; D460-H465 PolarHBondContact OD1-N 3.09Å; D460-H465 VanDerWaalsContact OD2-CB 3.25Å; D460-H465 WeakPolarHBondContact OD2-CB 3.47Å; D460-H465 IonicContact OD2-CE1 2.7Å; D460-H465 IonicContact OD2-CG 3.74Å; D460-H465 PolarHBondContact OD2-N 2.82Å; D460-H465 IonicContact OD2-ND1 2.78Å; D460-H465 PolarHBondContact OD2-ND1 3.06Å; H465-K476 HydrophobicContact CB-CD 4.4Å; H465-K476 HydrophobicContact CB-CG 3.84Å; H465-V477 CarbonylContact C-O 3.55Å; H465-V477 VanDerWaalsContact CA-O 3.24Å; H465-V477 WeakPolarHBondContact CA-O 3.29Å; H465-V477 WeakPolarHBondContact CB-O 3.47Å |
| 466 | V | 91.7 | Very high | 90.5 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.012 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 134.4 | 174.4 | 166 | 0 | 0 | 0 | 0 | 109.5 | L418 W426 V457 L458 F459 L468 V477 I479 | L418-V466 HydrophobicContact CD1-CG2 3.96Å; W426-V466 HydrophobicContact CH2-CG1 4.17Å; W426-V466 HydrophobicContact CZ2-CG1 3.98Å; V457-V466 HydrophobicContact CG1-CG1 3.22Å; L458-V466 CarbonylContact O-C 3.4Å; L458-V466 WeakPolarHBondContact O-CA 3.45Å; F459-V466 HydrophobicContact CD1-CG2 3.45Å; F459-V466 VanDerWaalsContact CD1-CG2 3.45Å; F459-V466 HydrophobicContact CE1-CG2 3.48Å; F459-V466 VanDerWaalsContact CE1-CG2 3.48Å; F459-V466 HydrophobicContact CG-CG2 4.28Å; F459-V466 HydrophobicContact CZ-CG2 4.34Å; V466-L468 HydrophobicContact CG1-CD2 3.57Å; V466-L468 HydrophobicContact CG1-CG 4.15Å; V466-V477 PolarHBondContact N-O 3.22Å; V466-V477 PolarHBondContact O-N 3.26Å; V466-I479 HydrophobicContact CG2-CD1 3.93Å; V466-I479 HydrophobicContact CG2-CG1 3.79Å |
| 467 | Y | 94.1 | Very high | 90.4 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 121.3 | 168.7 | -57.5 | -72.2 | 0 | 0 | 0 | 109.8 | L47 A60 L62 L458 D460 L475 K476 | L47-Y467 HydrophobicContact CD1-CD1 3.57Å; L47-Y467 HydrophobicContact CD1-CD2 3.99Å; L47-Y467 HydrophobicContact CD1-CE1 3.5Å; L47-Y467 HydrophobicContact CD1-CE2 3.94Å; L47-Y467 HydrophobicContact CD1-CG 3.8Å; L47-Y467 HydrophobicContact CD2-CD2 4.1Å; L47-Y467 HydrophobicContact CD2-CE2 4.38Å; L47-Y467 HydrophobicContact CD2-CG 4.39Å; L47-Y467 HydrophobicContact CG-CE2 4.49Å; A60-Y467 PolarHBondContact O-OH 3.38Å; L62-Y467 HydrophobicContact CD1-CD1 4.42Å; L62-Y467 HydrophobicContact CD2-CD1 3.83Å; L62-Y467 HydrophobicContact CD2-CE1 3.91Å; L62-Y467 HydrophobicContact CG-CD1 4.29Å; L62-Y467 HydrophobicContact CG-CE1 4.18Å; L458-Y467 HydrophobicContact CB-CD2 4.43Å; L458-Y467 PolarHBondContact N-O 2.7Å; L458-Y467 WeakPolarHBondContact O-CD2 3.31Å; L458-Y467 PolarHBondContact O-N 3.03Å; D460-Y467 HydrophobicContact CB-CE2 3.8Å; Y467-L475 CarbonylContact C-O 3.54Å; Y467-L475 VanDerWaalsContact CA-O 3.3Å; Y467-L475 WeakPolarHBondContact CA-O 3.25Å; Y467-K476 HydrophobicContact CD1-CB 3.99Å; Y467-K476 HydrophobicContact CD1-CG 4.04Å; Y467-K476 HydrophobicContact CE1-CB 3.98Å; Y467-K476 HydrophobicContact CE1-CD 3.76Å; Y467-K476 HydrophobicContact CE1-CG 3.72Å |
| 468 | L | 92.5 | Very high | 90.2 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 146.4 | 175.5 | -55.6 | 178.7 | 0 | 0 | 0 | 109.3 | W426 I445 I453 V457 V466 V474 L475 V477 | W426-L468 HydrophobicContact CD2-CD1 4.17Å; W426-L468 HydrophobicContact CD2-CD2 4.32Å; W426-L468 HydrophobicContact CE3-CD1 4.13Å; W426-L468 HydrophobicContact CE3-CD2 3.78Å; W426-L468 HydrophobicContact CH2-CD2 3.53Å; W426-L468 HydrophobicContact CZ2-CD2 3.96Å; W426-L468 HydrophobicContact CZ3-CD2 3.4Å; W426-L468 VanDerWaalsContact CZ3-CD2 3.4Å; I445-L468 HydrophobicContact CG1-CD1 4.13Å; I445-L468 HydrophobicContact CG2-CD1 4.2Å; I453-L468 HydrophobicContact CD1-CD1 4.44Å; I453-L468 HydrophobicContact CG2-CB 4.48Å; I453-L468 HydrophobicContact CG2-CD2 4.31Å; V457-L468 HydrophobicContact CB-CD2 4.42Å; V457-L468 HydrophobicContact CG1-CD2 3.66Å; V457-L468 HydrophobicContact CG2-CD2 3.88Å; V466-L468 HydrophobicContact CG1-CD2 3.57Å; V466-L468 HydrophobicContact CG1-CG 4.15Å; L468-V474 CarbonylContact O-C 3.5Å; L468-V474 WeakPolarHBondContact O-CA 3.4Å; L468-L475 HydrophobicContact CB-CB 4.45Å; L468-L475 PolarHBondContact N-O 3.02Å; L468-L475 PolarHBondContact O-N 2.82Å; L468-V477 HydrophobicContact CD1-CB 4.33Å; L468-V477 HydrophobicContact CD1-CG2 3.67Å; L468-V477 HydrophobicContact CG-CG2 4.21Å |
| 469 | M | 92.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 138.9 | 178.6 | 178.7 | 175.4 | 67.9 | 0 | 0 | 110.4 | L35 R36 M38 V49 K454 D456 V474 | L35-M469 HydrophobicContact CB-CG 4Å; L35-M469 HydrophobicContact CB-SD 3.75Å; L35-M469 HydrophobicContact CD1-CG 4.21Å; R36-M469 VanDerWaalsContact C-CE 3.48Å; R36-M469 WeakPolarHBondContact O-CE 2.99Å; M38-M469 HydrophobicContact CB-CE 4.44Å; M38-M469 HydrophobicContact CB-SD 4.03Å; M38-M469 HydrophobicContact CE-CB 4.33Å; V49-M469 HydrophobicContact CG1-SD 4.19Å; K454-M469 HydrophobicContact CB-CB 4.34Å; K454-M469 HydrophobicContact CB-CE 3.7Å; K454-M469 HydrophobicContact CB-CG 4.43Å; K454-M469 WeakPolarHBondContact CB-O 3.24Å; K454-M469 HydrophobicContact CG-CE 4.03Å; K454-M469 HydrophobicContact CG-CG 4.32Å; K454-M469 WeakPolarHBondContact CG-O 3.48Å; K454-M469 PolarHBondContact N-O 3.5Å; D456-M469 HydrophobicContact CB-CE 3.97Å; M469-V474 HydrophobicContact CG-CG2 4.34Å |
| 470 | T | 90.8 | Very high | 89.5 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | trans | -112.5 | -171.5 | 169 | 67.6 | 0 | 0 | 0 | 0 | 109.7 | V446 V451 D472 E473 | V446-T470 HydrophobicContact CG2-CG2 4.18Å; V451-T470 HydrophobicContact CG1-CG2 4.08Å; T470-D472 PolarHBondContact O-N 3.4Å; T470-D472 PolarHBondContact OG1-N 2.88Å; T470-D472 PolarHBondContact OG1-OD1 2.96Å; T470-E473 HydrophobicContact CG2-CG 4.34Å; T470-E473 PolarHBondContact N-O 2.95Å; T470-E473 VanDerWaalsContact OG1-CG 3.23Å; T470-E473 WeakPolarHBondContact OG1-CG 3.47Å; T470-E473 PolarHBondContact OG1-N 3.39Å; T470-E473 PolarHBondContact OG1-O 2.62Å | ||
| 471 | D | 87.2 | Confident | 89 | Confident | 51 Ų | 51 | 31.6 Ų | 31.6 | 27% | 0.273 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -66.3 | -18.3 | 173.1 | -86.1 | -55.6 | 0 | 0 | 0 | 113.8 | S34 L35 K454 | S34-D471 CarbonylContact C-O 3.54Å; S34-D471 WeakPolarHBondContact CA-O 3.43Å; S34-D471 PolarHBondContact N-O 3.44Å; L35-D471 PolarHBondContact N-O 3.44Å; K454-D471 VanDerWaalsContact CE-CG 3.41Å; K454-D471 WeakPolarHBondContact CE-OD1 3.36Å; K454-D471 IonicContact NZ-OD1 3.93Å; K454-D471 PolarHBondContact NZ-OD1 3.42Å; K454-D471 IonicContact NZ-OD2 3.71Å; K454-D471 PolarHBondContact NZ-OD2 3.35Å; K454-D471 VanDerWaalsContact NZ-OD2 3.14Å |
| 472 | D | 87.3 | Confident | 88.9 | Confident | 46 Ų | 46 | 27.2 Ų | 27.2 | 25% | 0.246 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -129.6 | -23.4 | -170.1 | 56 | -19.7 | 0 | 0 | 0 | 115 | L26 T470 | L26-D472 HydrophobicContact CD1-CB 4.37Å; L26-D472 WeakPolarHBondContact CD1-O 3.38Å; T470-D472 PolarHBondContact O-N 3.4Å; T470-D472 PolarHBondContact OG1-N 2.88Å; T470-D472 PolarHBondContact OG1-OD1 2.96Å |
| 473 | E | 89.3 | Confident | 88.8 | Confident | 15 Ų | 15 | 25.9 Ų | 25.9 | 7% | 0.07 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 162.2 | -176.3 | 59.6 | -178.3 | -175.8 | 0 | 0 | 114.2 | F25 L26 T470 L475 | F25-E473 CarbonylContact O-C 3.59Å; F25-E473 VanDerWaalsContact O-CA 3.23Å; F25-E473 WeakPolarHBondContact O-CA 3.04Å; F25-E473 VanDerWaalsContact O-CB 3.31Å; F25-E473 WeakPolarHBondContact O-CB 3.23Å; L26-E473 HydrophobicContact CB-CB 4.48Å; L26-E473 HydrophobicContact CD1-CB 4.11Å; T470-E473 HydrophobicContact CG2-CG 4.34Å; T470-E473 PolarHBondContact N-O 2.95Å; T470-E473 VanDerWaalsContact OG1-CG 3.23Å; T470-E473 WeakPolarHBondContact OG1-CG 3.47Å; T470-E473 PolarHBondContact OG1-N 3.39Å; T470-E473 PolarHBondContact OG1-O 2.62Å; E473-L475 HydrophobicContact CG-CD2 4.25Å; E473-L475 HydrophobicContact CG-CG 4.33Å |
| 474 | V | 92.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 132.7 | 170.3 | -176.5 | 0 | 0 | 0 | 0 | 108.3 | Q24 F25 L35 M38 V49 L62 L468 M469 | Q24-V474 CarbonylContact C-O 3.59Å; Q24-V474 WeakPolarHBondContact CA-O 2.94Å; F25-V474 HydrophobicContact CB-CB 4.44Å; F25-V474 PolarHBondContact N-O 2.74Å; F25-V474 PolarHBondContact O-N 3.26Å; L35-V474 HydrophobicContact CD1-CG2 3.89Å; M38-V474 HydrophobicContact SD-CG1 3.69Å; V49-V474 HydrophobicContact CG1-CG2 4Å; V49-V474 HydrophobicContact CG2-CG2 4.18Å; L62-V474 HydrophobicContact CD1-CG1 4.11Å; L62-V474 WeakPolarHBondContact CD1-O 3.22Å; L62-V474 HydrophobicContact CD2-CB 4.46Å; L62-V474 HydrophobicContact CD2-CG1 3.74Å; L468-V474 CarbonylContact O-C 3.5Å; L468-V474 WeakPolarHBondContact O-CA 3.4Å; M469-V474 HydrophobicContact CG-CG2 4.34Å |
| 475 | L | 91.9 | Very high | 88.5 | Confident | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 136.5 | -174.1 | -56.6 | 175.1 | 0 | 0 | 0 | 109.7 | V21 Q24 I445 V446 Y467 L468 E473 V477 | V21-L475 HydrophobicContact CG1-CB 4.43Å; V21-L475 HydrophobicContact CG1-CD2 4.09Å; Q24-L475 HydrophobicContact CB-CD2 3.48Å; Q24-L475 VanDerWaalsContact CB-CD2 3.48Å; I445-L475 HydrophobicContact CG2-CD1 3.43Å; I445-L475 VanDerWaalsContact CG2-CD1 3.43Å; V446-L475 HydrophobicContact CG2-CD1 4.5Å; Y467-L475 CarbonylContact C-O 3.54Å; Y467-L475 VanDerWaalsContact CA-O 3.3Å; Y467-L475 WeakPolarHBondContact CA-O 3.25Å; L468-L475 HydrophobicContact CB-CB 4.45Å; L468-L475 PolarHBondContact N-O 3.02Å; L468-L475 PolarHBondContact O-N 2.82Å; E473-L475 HydrophobicContact CG-CD2 4.25Å; E473-L475 HydrophobicContact CG-CG 4.33Å; L475-V477 HydrophobicContact CB-CG2 4.25Å |
| 476 | K | 92.9 | Very high | 88.3 | Confident | 15 Ų | 15 | 28 Ų | 28 | 7% | 0.065 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 115.5 | 170.2 | -173.5 | 179.7 | -173.6 | 171.3 | 0 | 108 | V21 V22 S23 A60 N61 L62 H465 Y467 | V21-K476 CarbonylContact C-O 3.45Å; V21-K476 WeakPolarHBondContact CA-O 3.24Å; V22-K476 PolarHBondContact N-O 3.08Å; S23-K476 PolarHBondContact O-N 3.11Å; S23-K476 WeakPolarHBondContact OG-CB 3.2Å; A60-K476 PolarHBondContact O-NZ 3.46Å; N61-K476 PolarHBondContact OD1-NZ 3.4Å; L62-K476 HydrophobicContact CD1-CB 3.83Å; L62-K476 HydrophobicContact CG-CB 4.39Å; H465-K476 HydrophobicContact CB-CD 4.4Å; H465-K476 HydrophobicContact CB-CG 3.84Å; Y467-K476 HydrophobicContact CD1-CB 3.99Å; Y467-K476 HydrophobicContact CD1-CG 4.04Å; Y467-K476 HydrophobicContact CE1-CB 3.98Å; Y467-K476 HydrophobicContact CE1-CD 3.76Å; Y467-K476 HydrophobicContact CE1-CG 3.72Å |
| 477 | V | 89.4 | Confident | 88 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 134.4 | -172.2 | -175.8 | 0 | 0 | 0 | 0 | 110.2 | S20 V21 I445 H465 V466 L468 L475 | S20-V477 CarbonylContact O-C 3.51Å; S20-V477 WeakPolarHBondContact O-CA 3.29Å; V21-V477 HydrophobicContact CG2-CG2 4.27Å; I445-V477 HydrophobicContact CD1-CG1 3.92Å; I445-V477 HydrophobicContact CD1-CG2 4.34Å; I445-V477 HydrophobicContact CG2-CG2 4.17Å; H465-V477 CarbonylContact C-O 3.55Å; H465-V477 VanDerWaalsContact CA-O 3.24Å; H465-V477 WeakPolarHBondContact CA-O 3.29Å; H465-V477 WeakPolarHBondContact CB-O 3.47Å; V466-V477 PolarHBondContact N-O 3.22Å; V466-V477 PolarHBondContact O-N 3.26Å; L468-V477 HydrophobicContact CD1-CB 4.33Å; L468-V477 HydrophobicContact CD1-CG2 3.67Å; L468-V477 HydrophobicContact CG-CG2 4.21Å; L475-V477 HydrophobicContact CB-CG2 4.25Å |
| 478 | K | 88 | Confident | 87.7 | Confident | 61 Ų | 61 | 31.9 Ų | 31.9 | 27% | 0.265 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 131 | 174.8 | -164 | 178.5 | -178.4 | -175.5 | 0 | 110.3 | S20 V22 Q480 E513 | S20-K478 PolarHBondContact O-N 2.86Å; V22-K478 HydrophobicContact CG2-CB 4.18Å; K478-Q480 WeakPolarHBondContact CD-O 3.45Å; K478-Q480 VanDerWaalsContact CE-NE2 3.29Å; K478-Q480 WeakPolarHBondContact CG-O 3.47Å; K478-Q480 VanDerWaalsContact NZ-NE2 3.16Å; K478-E513 IonicContact NZ-OE1 3.94Å |
| 479 | I | 86.2 | Confident | 87.5 | Confident | 6 Ų | 6 | 35.6 Ų | 35.6 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -70.1 | -36.3 | -175.9 | -64.2 | 166.5 | 0 | 0 | 0 | 111.7 | K428 F459 R463 Q464 V466 Y498 | K428-I479 VanDerWaalsContact CE-O 3.27Å; K428-I479 WeakPolarHBondContact CE-O 3.31Å; K428-I479 PolarHBondContact NZ-O 3.3Å; F459-I479 HydrophobicContact CD1-CD1 3.83Å; F459-I479 HydrophobicContact CE1-CD1 3.77Å; R463-I479 VanDerWaalsContact O-CD1 3.3Å; R463-I479 WeakPolarHBondContact O-CD1 3.39Å; Q464-I479 PolarHBondContact O-N 2.83Å; V466-I479 HydrophobicContact CG2-CD1 3.93Å; V466-I479 HydrophobicContact CG2-CG1 3.79Å; I479-Y498 HydrophobicContact CG2-CD2 4.01Å; I479-Y498 HydrophobicContact CG2-CE1 4.14Å; I479-Y498 HydrophobicContact CG2-CE2 3.49Å; I479-Y498 VanDerWaalsContact CG2-CE2 3.49Å |
| 480 | Q | 83.3 | Confident | 87.2 | Confident | 6 Ų | 6 | 37.3 Ų | 37.3 | 3% | 0.028 | 22% | 0.215 | C | C | . | . | trans | -115.7 | 144 | -177.3 | 65.6 | 85.1 | -0.6 | 0 | 0 | 112.1 | K478 C482 Y498 E513 | K478-Q480 WeakPolarHBondContact CD-O 3.45Å; K478-Q480 VanDerWaalsContact CE-NE2 3.29Å; K478-Q480 WeakPolarHBondContact CG-O 3.47Å; K478-Q480 VanDerWaalsContact NZ-NE2 3.16Å; Q480-C482 PolarHBondContact OE1-SG 3.07Å; Q480-Y498 HydrophobicContact CB-CG 4.28Å; Q480-E513 PolarHBondContact NE2-OE1 3.43Å; Q480-E513 VanDerWaalsContact NE2-OE1 3.1Å; Q480-E513 PolarHBondContact NE2-OE2 3.15Å | ||
| 481 | S | 80.8 | Confident | 87.1 | Confident | 30 Ų | 30 | 37.3 Ų | 37.3 | 21% | 0.21 | 22% | 0.215 | C | C | . | . | trans | -125.8 | 39.4 | 176.8 | -62 | 0 | 0 | 0 | 0 | 111 | S483 S484 | S481-S483 PolarHBondContact O-N 3.1Å; S481-S483 VanDerWaalsContact O-N 3.12Å; S481-S484 VanDerWaalsContact O-CB 3.28Å; S481-S484 WeakPolarHBondContact O-CB 3.32Å; S481-S484 PolarHBondContact O-N 3.49Å; S481-S484 PolarHBondContact O-OG 3.43Å | ||
| 482 | C | 86.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -55.8 | -35.9 | -172 | -55.7 | 0 | 0 | 0 | 0 | 112.8 | Q480 S484 H485 C499 C508 | Q480-C482 PolarHBondContact OE1-SG 3.07Å; C482-S484 PolarHBondContact O-N 3.24Å; C482-H485 PolarHBondContact O-N 3.28Å; C482-C499 WeakPolarHBondContact CA-SG 3.37Å; C482-C499 HydrophobicContact CB-CB 3.76Å; C482-C499 WeakPolarHBondContact CB-SG 3.38Å; C482-C499 WeakPolarHBondContact SG-CA 3.41Å; C482-C499 WeakPolarHBondContact SG-CB 3.44Å; C482-C499 CovalentContact SG-SG 2.03Å; C482-C499 PolarHBondContact SG-SG 2.82Å; C482-C508 CarbonylContact C-O 3.49Å; C482-C508 HydrophobicContact CB-CB 4.48Å; C482-C508 WeakPolarHBondContact CB-O 3.36Å; C482-C508 WeakPolarHBondContact O-CB 3.13Å; C482-C508 PolarHBondContact O-SG 2.9Å |
| 483 | S | 84.3 | Confident | 86.9 | Confident | 69 Ų | 69 | 37.5 Ų | 37.5 | 48% | 0.483 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -60.9 | -14 | 178.2 | 54.2 | 0 | 0 | 0 | 0 | 114.6 | S481 H485 C508 | S481-S483 PolarHBondContact O-N 3.1Å; S481-S483 VanDerWaalsContact O-N 3.12Å; S483-H485 VanDerWaalsContact C-N 3.27Å; S483-C508 PolarHBondContact N-O 3.2Å |
| 484 | S | 81.8 | Confident | 86.4 | Confident | 75 Ų | 75 | 37.9 Ų | 37.9 | 52% | 0.524 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -71.2 | -20.9 | 173.5 | 68.4 | 0 | 0 | 0 | 0 | 113.2 | S481 C482 | S481-S484 VanDerWaalsContact O-CB 3.28Å; S481-S484 WeakPolarHBondContact O-CB 3.32Å; S481-S484 PolarHBondContact O-N 3.49Å; S481-S484 PolarHBondContact O-OG 3.43Å; C482-S484 PolarHBondContact O-N 3.24Å |
| 485 | H | 85.4 | Confident | 85.9 | Confident | 49 Ų | 49 | 38.7 Ų | 38.7 | 23% | 0.227 | 24% | 0.24 | C | C | . | . | trans | -92.8 | 108.4 | 177.7 | -56.4 | -65.7 | 0 | 0 | 0 | 111.3 | C482 S483 A490 C491 S494 C508 | C482-H485 PolarHBondContact O-N 3.28Å; S483-H485 VanDerWaalsContact C-N 3.27Å; H485-A490 HydrophobicContact CB-CB 4.47Å; H485-C491 HydrophobicContact CB-CB 4Å; H485-S494 WeakPolarHBondContact CE1-CB 3.33Å; H485-S494 WeakPolarHBondContact NE2-CB 3.31Å; H485-C508 HydrophobicContact CB-CB 4.04Å; H485-C508 WeakPolarHBondContact O-CB 3.5Å | ||
| 486 | L | 85.2 | Confident | 85.6 | Confident | 150 Ų | 150 | 38.9 Ų | 38.9 | 79% | 0.785 | 24% | 0.241 | S | C | * | . | trans | -81.1 | -13.6 | -169.9 | -60 | 177.1 | 0 | 0 | 0 | 115.2 | ||||
| 487 | N | 87.3 | Confident | 85.3 | Confident | 75 Ų | 75 | 40.5 Ų | 40.5 | 40% | 0.401 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -139.6 | 160.5 | -178.4 | 62.9 | 46.5 | 0 | 0 | 0 | 111.3 | T489 A490 C491 W501 | N487-T489 VanDerWaalsContact C-N 3.35Å; N487-T489 PolarHBondContact O-N 3.43Å; N487-T489 PolarHBondContact OD1-OG1 3.45Å; N487-T489 VanDerWaalsContact OD1-OG1 3.11Å; N487-A490 PolarHBondContact O-N 3.38Å; N487-A490 WeakPolarHBondContact OD1-CB 3.17Å; N487-A490 PolarHBondContact OD1-N 2.84Å; N487-C491 WeakPolarHBondContact O-CB 3.45Å; N487-C491 PolarHBondContact O-N 2.91Å; N487-W501 VanDerWaalsContact CA-CH2 3.45Å |
| 488 | C | 87.9 | Confident | 85.1 | Confident | 11 Ų | 11 | 42 Ų | 42 | 7% | 0.074 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.5 | -44.9 | -176.2 | -176.8 | 0 | 0 | 0 | 0 | 112.4 | A490 C491 I492 W501 C531 | C488-A490 PolarHBondContact O-N 2.82Å; C488-C491 PolarHBondContact O-N 2.83Å; C488-I492 WeakPolarHBondContact O-CG1 3.47Å; C488-I492 PolarHBondContact O-N 2.84Å; C488-W501 VanDerWaalsContact CA-CD2 3.46Å; C488-W501 HydrophobicContact CB-CB 4.35Å; C488-W501 HydrophobicContact CB-CD2 3.61Å; C488-W501 HydrophobicContact CB-CE3 4.24Å; C488-W501 HydrophobicContact CB-CG 3.64Å; C488-W501 HydrophobicContact CB-CZ2 4.28Å; C488-C531 HydrophobicContact CB-CB 3.76Å; C488-C531 WeakPolarHBondContact CB-SG 3.36Å; C488-C531 WeakPolarHBondContact SG-CA 3.44Å; C488-C531 WeakPolarHBondContact SG-CB 3.47Å; C488-C531 CovalentContact SG-SG 2.04Å; C488-C531 PolarHBondContact SG-SG 3.27Å |
| 489 | T | 87.2 | Confident | 85.2 | Confident | 81 Ų | 81 | 39.4 Ų | 39.4 | 50% | 0.497 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.3 | -43.4 | -179.1 | 36 | 0 | 0 | 0 | 0 | 112.1 | N487 A493 | N487-T489 VanDerWaalsContact C-N 3.35Å; N487-T489 PolarHBondContact O-N 3.43Å; N487-T489 PolarHBondContact OD1-OG1 3.45Å; N487-T489 VanDerWaalsContact OD1-OG1 3.11Å; T489-A493 WeakPolarHBondContact O-CB 3.23Å; T489-A493 PolarHBondContact O-N 3.32Å |
| 490 | A | 85.6 | Confident | 85.3 | Confident | 36 Ų | 36 | 39.1 Ų | 39.1 | 30% | 0.298 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -70 | -35.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | H485 N487 C488 S494 | H485-A490 HydrophobicContact CB-CB 4.47Å; N487-A490 PolarHBondContact O-N 3.38Å; N487-A490 WeakPolarHBondContact OD1-CB 3.17Å; N487-A490 PolarHBondContact OD1-N 2.84Å; C488-A490 PolarHBondContact O-N 2.82Å; A490-S494 PolarHBondContact O-N 3.05Å |
| 491 | C | 89.1 | Confident | 85.6 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.007 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.3 | -45.7 | 177.3 | -179.6 | 0 | 0 | 0 | 0 | 111.8 | H485 N487 C488 S494 W501 C508 | H485-C491 HydrophobicContact CB-CB 4Å; N487-C491 WeakPolarHBondContact O-CB 3.45Å; N487-C491 PolarHBondContact O-N 2.91Å; C488-C491 PolarHBondContact O-N 2.83Å; C491-S494 PolarHBondContact O-OG 3.12Å; C491-W501 HydrophobicContact CB-CE3 3.74Å; C491-W501 HydrophobicContact CB-CZ3 4.35Å; C491-C508 HydrophobicContact CB-CB 3.56Å; C491-C508 WeakPolarHBondContact CB-SG 3.49Å; C491-C508 WeakPolarHBondContact SG-CB 3.44Å; C491-C508 CovalentContact SG-SG 2.03Å; C491-C508 PolarHBondContact SG-SG 2.93Å |
| 492 | I | 86.7 | Confident | 86.1 | Confident | 21 Ų | 21 | 37.6 Ų | 37.6 | 11% | 0.108 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -75.2 | -36.9 | 177.3 | -55.2 | -60.3 | 0 | 0 | 0 | 110.9 | C488 S494 G495 L524 | C488-I492 WeakPolarHBondContact O-CG1 3.47Å; C488-I492 PolarHBondContact O-N 2.84Å; I492-S494 PolarHBondContact O-N 2.68Å; I492-G495 PolarHBondContact O-N 3.29Å; I492-L524 HydrophobicContact CD1-CB 4.36Å; I492-L524 WeakPolarHBondContact CD1-O 3.46Å |
| 493 | A | 82.9 | Confident | 86.1 | Confident | 80 Ų | 80 | 37.6 Ų | 37.6 | 66% | 0.661 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -70.4 | -18 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | T489 G495 | T489-A493 WeakPolarHBondContact O-CB 3.23Å; T489-A493 PolarHBondContact O-N 3.32Å; A493-G495 PolarHBondContact O-N 3.01Å |
| 494 | S | 80.4 | Confident | 86.1 | Confident | 23 Ų | 23 | 34.3 Ų | 34.3 | 16% | 0.161 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -30.4 | 172.7 | 78.7 | 0 | 0 | 0 | 0 | 111.4 | H485 A490 C491 I492 D496 | H485-S494 WeakPolarHBondContact CE1-CB 3.33Å; H485-S494 WeakPolarHBondContact NE2-CB 3.31Å; A490-S494 PolarHBondContact O-N 3.05Å; C491-S494 PolarHBondContact O-OG 3.12Å; I492-S494 PolarHBondContact O-N 2.68Å; S494-D496 PolarHBondContact O-N 3.48Å; S494-D496 VanDerWaalsContact O-N 3.16Å; S494-D496 PolarHBondContact OG-N 2.57Å; S494-D496 VanDerWaalsContact OG-N 3.15Å |
| 495 | G | 80.8 | Confident | 86.3 | Confident | 18 Ų | 18 | 31.4 Ų | 31.4 | 19% | 0.186 | 19% | 0.194 | C | C | . | . | trans | 64.7 | 11.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R438 I492 A493 P497 | R438-G495 PolarHBondContact NH2-O 3.23Å; R438-G495 VanDerWaalsContact NH2-O 3.08Å; I492-G495 PolarHBondContact O-N 3.29Å; A493-G495 PolarHBondContact O-N 3.01Å; G495-P497 WeakPolarHBondContact O-CD 3.24Å | ||
| 496 | D | 86.2 | Confident | 86.4 | Confident | 8 Ų | 8 | 31.2 Ų | 31.2 | 4% | 0.043 | 19% | 0.194 | C | C | . | . | trans | -70.9 | 112.3 | 174.5 | -175.8 | -12.6 | 0 | 0 | 0 | 108.7 | Y440 S494 Y498 C499 | Y440-D496 HydrophobicContact CD2-CB 3.99Å; Y440-D496 HydrophobicContact CE2-CB 3.77Å; S494-D496 PolarHBondContact O-N 3.48Å; S494-D496 VanDerWaalsContact O-N 3.16Å; S494-D496 PolarHBondContact OG-N 2.57Å; S494-D496 VanDerWaalsContact OG-N 3.15Å; D496-Y498 PolarHBondContact O-N 2.82Å; D496-Y498 WeakPolarHBondContact OD1-CB 3.25Å; D496-Y498 WeakPolarHBondContact OD1-CD2 3.23Å; D496-Y498 PolarHBondContact OD1-N 3.31Å; D496-C499 HydrophobicContact CB-CB 4.09Å; D496-C499 PolarHBondContact O-N 2.75Å; D496-C499 PolarHBondContact OD2-SG 2.86Å | ||
| 497 | P | 85.9 | Confident | 86.6 | Confident | 48 Ų | 48 | 30.1 Ų | 30.1 | 31% | 0.312 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -13.6 | -174.2 | 34 | -40.4 | 0 | 0 | 0 | 113.3 | L410 V416 L430 Y440 G495 C499 | L410-P497 HydrophobicContact CD1-CB 3.5Å; L410-P497 VanDerWaalsContact CD1-CB 3.5Å; L410-P497 HydrophobicContact CD1-CG 3.73Å; V416-P497 HydrophobicContact CG2-CG 3.58Å; L430-P497 HydrophobicContact CD1-CB 4.38Å; L430-P497 HydrophobicContact CD1-CG 4.2Å; Y440-P497 HydrophobicContact CE1-CG 4.47Å; G495-P497 WeakPolarHBondContact O-CD 3.24Å; P497-C499 VanDerWaalsContact C-N 3.27Å |
| 498 | Y | 85.7 | Confident | 86.7 | Confident | 35 Ų | 35 | 26.7 Ų | 26.7 | 14% | 0.137 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -18.3 | 170.6 | -59.6 | -74.7 | 0 | 0 | 0 | 112.1 | D408 L410 V416 I479 Q480 D496 S510 | D408-Y498 WeakPolarHBondContact CB-OH 3.32Å; D408-Y498 PolarHBondContact OD2-OH 2.86Å; L410-Y498 HydrophobicContact CD2-CD1 3.77Å; L410-Y498 HydrophobicContact CD2-CE1 3.31Å; V416-Y498 HydrophobicContact CB-CE2 4.34Å; V416-Y498 WeakPolarHBondContact CB-OH 3.42Å; V416-Y498 HydrophobicContact CG1-CE2 4.05Å; V416-Y498 HydrophobicContact CG2-CE2 4Å; I479-Y498 HydrophobicContact CG2-CD2 4.01Å; I479-Y498 HydrophobicContact CG2-CE1 4.14Å; I479-Y498 HydrophobicContact CG2-CE2 3.49Å; I479-Y498 VanDerWaalsContact CG2-CE2 3.49Å; Q480-Y498 HydrophobicContact CB-CG 4.28Å; D496-Y498 PolarHBondContact O-N 2.82Å; D496-Y498 WeakPolarHBondContact OD1-CB 3.25Å; D496-Y498 WeakPolarHBondContact OD1-CD2 3.23Å; D496-Y498 PolarHBondContact OD1-N 3.31Å; Y498-S510 VanDerWaalsContact O-CA 3.28Å; Y498-S510 WeakPolarHBondContact O-CA 3.41Å |
| 499 | C | 88.9 | Confident | 86.8 | Confident | 5 Ų | 5 | 26.5 Ų | 26.5 | 3% | 0.034 | 16% | 0.16 | C | C | . | . | trans | -105.1 | 139.5 | -170 | -59.8 | 0 | 0 | 0 | 0 | 113.1 | C482 D496 P497 | C482-C499 WeakPolarHBondContact CA-SG 3.37Å; C482-C499 HydrophobicContact CB-CB 3.76Å; C482-C499 WeakPolarHBondContact CB-SG 3.38Å; C482-C499 WeakPolarHBondContact SG-CA 3.41Å; C482-C499 WeakPolarHBondContact SG-CB 3.44Å; C482-C499 CovalentContact SG-SG 2.03Å; C482-C499 PolarHBondContact SG-SG 2.82Å; D496-C499 HydrophobicContact CB-CB 4.09Å; D496-C499 PolarHBondContact O-N 2.75Å; D496-C499 PolarHBondContact OD2-SG 2.86Å; P497-C499 VanDerWaalsContact C-N 3.27Å | ||
| 500 | G | 88.5 | Confident | 86.8 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 162.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | C502 C508 T509 L524 | G500-C502 PolarHBondContact O-N 3.31Å; G500-C508 WeakPolarHBondContact O-CA 3.18Å; G500-T509 PolarHBondContact N-O 2.72Å; G500-T509 PolarHBondContact O-N 3.48Å; G500-L524 CarbonylContact C-O 3.5Å; G500-L524 WeakPolarHBondContact CA-O 3.3Å |
| 501 | W | 90.8 | Very high | 86.7 | Confident | 5 Ų | 5 | 27.9 Ų | 27.9 | 2% | 0.019 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 115.4 | -179.9 | -167.4 | -108.3 | 0 | 0 | 0 | 110.4 | N487 C488 C491 T503 N506 R507 C508 F523 L524 | N487-W501 VanDerWaalsContact CA-CH2 3.45Å; C488-W501 VanDerWaalsContact CA-CD2 3.46Å; C488-W501 HydrophobicContact CB-CB 4.35Å; C488-W501 HydrophobicContact CB-CD2 3.61Å; C488-W501 HydrophobicContact CB-CE3 4.24Å; C488-W501 HydrophobicContact CB-CG 3.64Å; C488-W501 HydrophobicContact CB-CZ2 4.28Å; C491-W501 HydrophobicContact CB-CE3 3.74Å; C491-W501 HydrophobicContact CB-CZ3 4.35Å; W501-T503 PolarHBondContact O-N 2.89Å; W501-N506 WeakPolarHBondContact CZ2-OD1 3.45Å; W501-R507 VanDerWaalsContact CZ3-C 3.47Å; W501-C508 HydrophobicContact CE3-CB 3.87Å; W501-C508 HydrophobicContact CZ3-CB 3.97Å; W501-C508 VanDerWaalsContact CZ3-N 3.33Å; W501-F523 WeakPolarHBondContact O-CA 3.12Å; W501-L524 HydrophobicContact CB-CB 4.25Å; W501-L524 PolarHBondContact N-O 2.72Å; W501-L524 PolarHBondContact O-N 2.73Å |
| 502 | C | 90.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 92.7 | 173.3 | -167.1 | 0 | 0 | 0 | 0 | 108.7 | G500 L504 A505 N506 R507 C514 | G500-C502 PolarHBondContact O-N 3.31Å; C502-L504 PolarHBondContact O-N 2.95Å; C502-A505 HydrophobicContact CB-CB 4.03Å; C502-A505 CarbonylContact O-C 3.48Å; C502-A505 PolarHBondContact O-N 2.84Å; C502-N506 PolarHBondContact O-N 3.08Å; C502-R507 PolarHBondContact N-O 2.94Å; C502-C514 HydrophobicContact CB-CB 3.74Å; C502-C514 WeakPolarHBondContact CB-SG 3.29Å; C502-C514 VanDerWaalsContact SG-CA 3.54Å; C502-C514 WeakPolarHBondContact SG-CB 3.34Å; C502-C514 CovalentContact SG-SG 2.05Å; C502-C514 PolarHBondContact SG-SG 3.31Å |
| 503 | T | 87.1 | Confident | 86.4 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -52.5 | -49.9 | -162.2 | -55.5 | 0 | 0 | 0 | 0 | 113.9 | W501 N506 R521 G522 P532 P560 V622 | W501-T503 PolarHBondContact O-N 2.89Å; T503-N506 PolarHBondContact O-N 3.31Å; T503-R521 WeakPolarHBondContact CB-O 3.19Å; T503-R521 PolarHBondContact OG1-O 3.2Å; T503-G522 PolarHBondContact N-O 2.84Å; T503-P532 HydrophobicContact CG2-CG 3.62Å; T503-P560 HydrophobicContact CG2-CG 4Å; T503-V622 HydrophobicContact CG2-CG1 4.35Å |
| 504 | L | 83.4 | Confident | 86.6 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -75.6 | -27.6 | -179.5 | -65.8 | 179 | 0 | 0 | 0 | 113 | C502 N506 Y516 P560 S618 V622 | C502-L504 PolarHBondContact O-N 2.95Å; L504-N506 VanDerWaalsContact C-N 3.28Å; L504-Y516 HydrophobicContact CB-CD2 3.81Å; L504-Y516 HydrophobicContact CB-CE2 3.95Å; L504-Y516 HydrophobicContact CB-CG 4.2Å; L504-Y516 HydrophobicContact CD1-CD1 4.02Å; L504-Y516 HydrophobicContact CD1-CE1 4.37Å; L504-Y516 HydrophobicContact CD1-CG 4.12Å; L504-P560 HydrophobicContact CD2-CG 4.13Å; L504-P560 HydrophobicContact CG-CG 4.14Å; L504-S618 WeakPolarHBondContact O-CB 3.3Å; L504-S618 PolarHBondContact O-OG 2.8Å; L504-V622 HydrophobicContact CD2-CG2 4.44Å |
| 505 | A | 86 | Confident | 86.9 | Confident | 14 Ų | 14 | 34.9 Ų | 34.9 | 12% | 0.116 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -81.1 | -9.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | C502 R507 Y516 | C502-A505 HydrophobicContact CB-CB 4.03Å; C502-A505 CarbonylContact O-C 3.48Å; C502-A505 PolarHBondContact O-N 2.84Å; A505-R507 VanDerWaalsContact C-N 3.28Å; A505-R507 HydrophobicContact CB-CG 3.86Å; A505-R507 PolarHBondContact O-N 3.48Å; A505-Y516 HydrophobicContact CB-CD2 4.48Å; A505-Y516 HydrophobicContact CB-CE2 4.25Å |
| 506 | N | 87.6 | Confident | 87.1 | Confident | 45 Ų | 45 | 35.7 Ų | 35.7 | 24% | 0.241 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 43.5 | 179 | -168.9 | 49.6 | 0 | 0 | 0 | 113.5 | W501 C502 T503 L504 Q620 M621 | W501-N506 WeakPolarHBondContact CZ2-OD1 3.45Å; C502-N506 PolarHBondContact O-N 3.08Å; T503-N506 PolarHBondContact O-N 3.31Å; L504-N506 VanDerWaalsContact C-N 3.28Å; N506-Q620 HydrophobicContact CB-CB 4.35Å; N506-M621 WeakPolarHBondContact CB-O 3.31Å; N506-M621 PolarHBondContact ND2-O 2.76Å |
| 507 | R | 89.5 | Confident | 86.9 | Confident | 127 Ų | 127 | 36.6 Ų | 36.6 | 48% | 0.479 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 151.9 | -179.5 | 58.7 | 177.6 | -164.8 | -155.2 | 6.4 | 111 | W501 C502 A505 T509 | W501-R507 VanDerWaalsContact CZ3-C 3.47Å; C502-R507 PolarHBondContact N-O 2.94Å; A505-R507 VanDerWaalsContact C-N 3.28Å; A505-R507 HydrophobicContact CB-CG 3.86Å; A505-R507 PolarHBondContact O-N 3.48Å; R507-T509 HydrophobicContact CG-CG2 3.79Å |
| 508 | C | 91.1 | Very high | 86.7 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 122.1 | 173.4 | -169.6 | 0 | 0 | 0 | 0 | 109.4 | C482 S483 H485 C491 G500 W501 | C482-C508 CarbonylContact C-O 3.49Å; C482-C508 HydrophobicContact CB-CB 4.48Å; C482-C508 WeakPolarHBondContact CB-O 3.36Å; C482-C508 WeakPolarHBondContact O-CB 3.13Å; C482-C508 PolarHBondContact O-SG 2.9Å; S483-C508 PolarHBondContact N-O 3.2Å; H485-C508 HydrophobicContact CB-CB 4.04Å; H485-C508 WeakPolarHBondContact O-CB 3.5Å; C491-C508 HydrophobicContact CB-CB 3.56Å; C491-C508 WeakPolarHBondContact CB-SG 3.49Å; C491-C508 WeakPolarHBondContact SG-CB 3.44Å; C491-C508 CovalentContact SG-SG 2.03Å; C491-C508 PolarHBondContact SG-SG 2.93Å; G500-C508 WeakPolarHBondContact O-CA 3.18Å; W501-C508 HydrophobicContact CE3-CB 3.87Å; W501-C508 HydrophobicContact CZ3-CB 3.97Å; W501-C508 VanDerWaalsContact CZ3-N 3.33Å |
| 509 | T | 89.7 | Confident | 86.3 | Confident | 8 Ų | 8 | 41 Ų | 41 | 5% | 0.049 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 173.6 | -177.1 | 64.1 | 0 | 0 | 0 | 0 | 110.9 | G500 R507 F523 | G500-T509 PolarHBondContact N-O 2.72Å; G500-T509 PolarHBondContact O-N 3.48Å; R507-T509 HydrophobicContact CG-CG2 3.79Å; T509-F523 WeakPolarHBondContact O-CE2 3.21Å |
| 510 | S | 86.7 | Confident | 85.7 | Confident | 12 Ų | 12 | 45.8 Ų | 45.8 | 8% | 0.084 | 26% | 0.259 | C | S | . | . | trans | -70.8 | 162.5 | 163.8 | 76.6 | 0 | 0 | 0 | 0 | 111.4 | Y498 A512 E513 C514 | Y498-S510 VanDerWaalsContact O-CA 3.28Å; Y498-S510 WeakPolarHBondContact O-CA 3.41Å; S510-A512 VanDerWaalsContact C-N 3.28Å; S510-A512 PolarHBondContact O-N 2.69Å; S510-E513 PolarHBondContact O-N 2.82Å; S510-E513 WeakPolarHBondContact OG-CB 3.44Å; S510-E513 WeakPolarHBondContact OG-CG 2.9Å; S510-E513 PolarHBondContact OG-N 2.95Å; S510-C514 PolarHBondContact O-N 2.66Å | ||
| 511 | K | 84.3 | Confident | 85.2 | Confident | 133 Ų | 133 | 51.6 Ų | 51.6 | 58% | 0.578 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -38.9 | 176.7 | -171.6 | 178.1 | 178.8 | -177 | 0 | 111.8 | E513 C514 A517 F523 | K511-E513 VanDerWaalsContact C-N 3.35Å; K511-C514 PolarHBondContact O-N 2.67Å; K511-A517 HydrophobicContact CG-CB 4.13Å; K511-F523 HydrophobicContact CB-CD1 4.37Å; K511-F523 HydrophobicContact CB-CE1 3.83Å; K511-F523 HydrophobicContact CB-CE2 4.41Å; K511-F523 HydrophobicContact CB-CZ 3.84Å; K511-F523 HydrophobicContact CG-CD1 4.21Å; K511-F523 HydrophobicContact CG-CE1 4.15Å |
| 512 | A | 82 | Confident | 84.9 | Confident | 96 Ų | 96 | 51.4 Ų | 51.4 | 79% | 0.793 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -30.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | S510 | S510-A512 VanDerWaalsContact C-N 3.28Å; S510-A512 PolarHBondContact O-N 2.69Å |
| 513 | E | 86 | Confident | 84.7 | Confident | 78 Ų | 78 | 53.3 Ų | 53.3 | 36% | 0.364 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -7.7 | 178.2 | -73.1 | 174.9 | -178.9 | 0 | 0 | 113.5 | K478 Q480 S510 K511 P515 | K478-E513 IonicContact NZ-OE1 3.94Å; Q480-E513 PolarHBondContact NE2-OE1 3.43Å; Q480-E513 VanDerWaalsContact NE2-OE1 3.1Å; Q480-E513 PolarHBondContact NE2-OE2 3.15Å; S510-E513 PolarHBondContact O-N 2.82Å; S510-E513 WeakPolarHBondContact OG-CB 3.44Å; S510-E513 WeakPolarHBondContact OG-CG 2.9Å; S510-E513 PolarHBondContact OG-N 2.95Å; K511-E513 VanDerWaalsContact C-N 3.35Å; E513-P515 WeakPolarHBondContact O-CD 2.92Å |
| 514 | C | 88.4 | Confident | 84.7 | Confident | 7 Ų | 7 | 53.6 Ų | 53.6 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | trans | -94.1 | 111.5 | -179.5 | -179.5 | 0 | 0 | 0 | 0 | 111.6 | C502 S510 K511 Y516 A517 F523 | C502-C514 HydrophobicContact CB-CB 3.74Å; C502-C514 WeakPolarHBondContact CB-SG 3.29Å; C502-C514 VanDerWaalsContact SG-CA 3.54Å; C502-C514 WeakPolarHBondContact SG-CB 3.34Å; C502-C514 CovalentContact SG-SG 2.05Å; C502-C514 PolarHBondContact SG-SG 3.31Å; S510-C514 PolarHBondContact O-N 2.66Å; K511-C514 PolarHBondContact O-N 2.67Å; C514-Y516 PolarHBondContact O-N 2.88Å; C514-Y516 VanDerWaalsContact O-N 3.1Å; C514-A517 HydrophobicContact CB-CB 4.12Å; C514-A517 WeakPolarHBondContact O-CB 3.36Å; C514-A517 PolarHBondContact O-N 3.19Å; C514-F523 HydrophobicContact CB-CD2 3.71Å; C514-F523 HydrophobicContact CB-CE2 4.19Å | ||
| 515 | P | 85.4 | Confident | 84.4 | Confident | 91 Ų | 91 | 56.3 Ų | 56.3 | 59% | 0.591 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -22.3 | -178.5 | -21.1 | 33 | 0 | 0 | 0 | 114 | E513 | E513-P515 WeakPolarHBondContact O-CD 2.92Š|
| 516 | Y | 85.5 | Confident | 83.6 | Confident | 35 Ų | 35 | 61.4 Ų | 61.4 | 14% | 0.137 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 11.5 | -173.7 | -46.9 | -72 | 0 | 0 | 0 | 112.6 | L504 A505 C514 V518 E519 G522 | L504-Y516 HydrophobicContact CB-CD2 3.81Å; L504-Y516 HydrophobicContact CB-CE2 3.95Å; L504-Y516 HydrophobicContact CB-CG 4.2Å; L504-Y516 HydrophobicContact CD1-CD1 4.02Å; L504-Y516 HydrophobicContact CD1-CE1 4.37Å; L504-Y516 HydrophobicContact CD1-CG 4.12Å; A505-Y516 HydrophobicContact CB-CD2 4.48Å; A505-Y516 HydrophobicContact CB-CE2 4.25Å; C514-Y516 PolarHBondContact O-N 2.88Å; C514-Y516 VanDerWaalsContact O-N 3.1Å; Y516-V518 PolarHBondContact O-N 3.42Å; Y516-V518 VanDerWaalsContact O-N 3.13Å; Y516-E519 PolarHBondContact O-N 2.95Å; Y516-E519 VanDerWaalsContact O-N 3.08Å; Y516-G522 WeakPolarHBondContact O-CA 3.28Å |
| 517 | A | 82.4 | Confident | 82.7 | Confident | 27 Ų | 27 | 60.8 Ų | 60.8 | 22% | 0.223 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -20.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | K511 C514 F523 | K511-A517 HydrophobicContact CG-CB 4.13Å; C514-A517 HydrophobicContact CB-CB 4.12Å; C514-A517 WeakPolarHBondContact O-CB 3.36Å; C514-A517 PolarHBondContact O-N 3.19Å; A517-F523 HydrophobicContact CB-CB 4.06Å |
| 518 | V | 81.4 | Confident | 81.8 | Confident | 147 Ų | 147 | 57.9 Ų | 57.9 | 89% | 0.891 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -22.2 | 178.5 | -174 | 0 | 0 | 0 | 0 | 111.8 | Y516 | Y516-V518 PolarHBondContact O-N 3.42Å; Y516-V518 VanDerWaalsContact O-N 3.13Å |
| 519 | E | 77.6 | Confident | 81.1 | Confident | 28 Ų | 28 | 62.6 Ų | 62.6 | 13% | 0.131 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -79.6 | 144.7 | -175.5 | -60.9 | -178.5 | -179.2 | 0 | 0 | 111.9 | Y516 R521 G522 I563 R617 | Y516-E519 PolarHBondContact O-N 2.95Å; Y516-E519 VanDerWaalsContact O-N 3.08Å; E519-R521 PolarHBondContact O-N 3.22Å; E519-R521 VanDerWaalsContact O-N 3.16Å; E519-G522 PolarHBondContact O-N 3.19Å; E519-I563 HydrophobicContact CG-CD1 4.05Å; E519-I563 WeakPolarHBondContact OE1-CD1 3.21Å; E519-R617 IonicContact OE1-CZ 3Å; E519-R617 IonicContact OE1-NH1 2.75Å; E519-R617 PolarHBondContact OE1-NH1 2.85Å; E519-R617 IonicContact OE1-NH2 2.75Å; E519-R617 PolarHBondContact OE1-NH2 3.34Å; E519-R617 IonicContact OE2-NH1 2.63Å |
| 520 | P | 76 | Confident | 80.6 | Confident | 106 Ų | 106 | 66 Ų | 66 | 69% | 0.688 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 121.9 | 172.4 | -21.7 | 31.9 | 0 | 0 | 0 | 110.8 | G522 | P520-G522 PolarHBondContact O-N 3.48Š|
| 521 | R | 78.1 | Confident | 80.6 | Confident | 123 Ų | 123 | 65.7 Ų | 65.7 | 46% | 0.464 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 11.3 | -173.7 | -51.9 | 178.9 | 175.1 | 167.5 | -4.1 | 115.4 | T503 E519 L524 | T503-R521 WeakPolarHBondContact CB-O 3.19Å; T503-R521 PolarHBondContact OG1-O 3.2Å; E519-R521 PolarHBondContact O-N 3.22Å; E519-R521 VanDerWaalsContact O-N 3.16Å; R521-L524 HydrophobicContact CB-CD2 4.42Å |
| 522 | G | 83.4 | Confident | 80.6 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -29.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | T503 Y516 E519 P520 | T503-G522 PolarHBondContact N-O 2.84Å; Y516-G522 WeakPolarHBondContact O-CA 3.28Å; E519-G522 PolarHBondContact O-N 3.19Å; P520-G522 PolarHBondContact O-N 3.48Å |
| 523 | F | 87 | Confident | 80.8 | Confident | 41 Ų | 41 | 59 Ų | 59 | 18% | 0.18 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 125.1 | 173.5 | -172.9 | -98.9 | 0 | 0 | 0 | 110.7 | W501 T509 K511 C514 A517 A525 | W501-F523 WeakPolarHBondContact O-CA 3.12Å; T509-F523 WeakPolarHBondContact O-CE2 3.21Å; K511-F523 HydrophobicContact CB-CD1 4.37Å; K511-F523 HydrophobicContact CB-CE1 3.83Å; K511-F523 HydrophobicContact CB-CE2 4.41Å; K511-F523 HydrophobicContact CB-CZ 3.84Å; K511-F523 HydrophobicContact CG-CD1 4.21Å; K511-F523 HydrophobicContact CG-CE1 4.15Å; C514-F523 HydrophobicContact CB-CD2 3.71Å; C514-F523 HydrophobicContact CB-CE2 4.19Å; A517-F523 HydrophobicContact CB-CB 4.06Å; F523-A525 HydrophobicContact CE1-CB 4.1Å |
| 524 | L | 86.7 | Confident | 80.8 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 130.1 | -178.3 | -55.1 | 171.1 | 0 | 0 | 0 | 109.5 | I492 G500 W501 R521 Q530 | I492-L524 HydrophobicContact CD1-CB 4.36Å; I492-L524 WeakPolarHBondContact CD1-O 3.46Å; G500-L524 CarbonylContact C-O 3.5Å; G500-L524 WeakPolarHBondContact CA-O 3.3Å; W501-L524 HydrophobicContact CB-CB 4.25Å; W501-L524 PolarHBondContact N-O 2.72Å; W501-L524 PolarHBondContact O-N 2.73Å; R521-L524 HydrophobicContact CB-CD2 4.42Å; L524-Q530 VanDerWaalsContact CD1-O 3.29Å; L524-Q530 WeakPolarHBondContact CD1-O 3.44Å; L524-Q530 HydrophobicContact CD2-CB 4.15Å |
| 525 | A | 77.5 | Confident | 80.8 | Confident | 57 Ų | 57 | 61.9 Ų | 61.9 | 47% | 0.471 | 36% | 0.359 | S | S | . | . | trans | -129.7 | -17.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | F523 | F523-A525 HydrophobicContact CE1-CB 4.1Š| ||
| 526 | T | 68.8 | Low | 80.9 | Confident | 121 Ų | 121 | 59 Ų | 59 | 74% | 0.742 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -115.2 | -35.8 | -162.2 | 52.6 | 0 | 0 | 0 | 0 | 115.4 | ||
| 527 | S | 69.7 | Low | 81.1 | Confident | 32 Ų | 32 | 58.2 Ų | 58.2 | 22% | 0.224 | 34% | 0.342 | C | S | . | . | trans | -133.4 | 126.9 | -174 | -174 | 0 | 0 | 0 | 0 | 113.1 | T529 Q530 | S527-T529 PolarHBondContact O-N 3.22Å; S527-T529 PolarHBondContact OG-N 2.77Å; S527-T529 VanDerWaalsContact OG-N 3.17Å; S527-T529 PolarHBondContact OG-OG1 2.86Å; S527-Q530 PolarHBondContact O-N 3.42Å | ||
| 528 | S | 71.2 | Confident | 81.5 | Confident | 66 Ų | 66 | 60.8 Ų | 60.8 | 46% | 0.462 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -63.8 | -21.7 | 171.2 | 57.1 | 0 | 0 | 0 | 0 | 112.5 | Q530 C531 | S528-Q530 PolarHBondContact O-N 3.25Å; S528-C531 WeakPolarHBondContact O-CB 3.34Å; S528-C531 PolarHBondContact O-N 3.31Å |
| 529 | T | 75.5 | Confident | 82 | Confident | 102 Ų | 102 | 56 Ų | 56 | 63% | 0.626 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -68.1 | -15.4 | 175.9 | 67.1 | 0 | 0 | 0 | 0 | 113.3 | S527 H558 | S527-T529 PolarHBondContact O-N 3.22Å; S527-T529 PolarHBondContact OG-N 2.77Å; S527-T529 VanDerWaalsContact OG-N 3.17Å; S527-T529 PolarHBondContact OG-OG1 2.86Å; T529-H558 PolarHBondContact O-NE2 3.41Å |
| 530 | Q | 79 | Confident | 82.4 | Confident | 78 Ų | 78 | 56.9 Ų | 56.9 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -96.3 | 1.4 | 178.1 | -60.6 | 179.8 | 7.2 | 0 | 0 | 112.6 | L524 S527 S528 H558 | L524-Q530 VanDerWaalsContact CD1-O 3.29Å; L524-Q530 WeakPolarHBondContact CD1-O 3.44Å; L524-Q530 HydrophobicContact CD2-CB 4.15Å; S527-Q530 PolarHBondContact O-N 3.42Å; S528-Q530 PolarHBondContact O-N 3.25Å; Q530-H558 VanDerWaalsContact O-CB 3.26Å; Q530-H558 WeakPolarHBondContact O-CB 3.4Å |
| 531 | C | 86.5 | Confident | 83 | Confident | 6 Ų | 6 | 55.5 Ų | 55.5 | 4% | 0.041 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -64.3 | 141.2 | 176.3 | -74.8 | 0 | 0 | 0 | 0 | 110.8 | C488 S528 T533 | C488-C531 HydrophobicContact CB-CB 3.76Å; C488-C531 WeakPolarHBondContact CB-SG 3.36Å; C488-C531 WeakPolarHBondContact SG-CA 3.44Å; C488-C531 WeakPolarHBondContact SG-CB 3.47Å; C488-C531 CovalentContact SG-SG 2.04Å; C488-C531 PolarHBondContact SG-SG 3.27Å; S528-C531 WeakPolarHBondContact O-CB 3.34Å; S528-C531 PolarHBondContact O-N 3.31Å; C531-T533 PolarHBondContact O-N 2.83Å |
| 532 | P | 85.5 | Confident | 83.5 | Confident | 16 Ų | 16 | 50.2 Ų | 50.2 | 10% | 0.104 | 31% | 0.306 | C | S | . | . | trans | -60.5 | 127.5 | 175.6 | -20.4 | 30.2 | 0 | 0 | 0 | 111.6 | T503 L559 V623 | T503-P532 HydrophobicContact CG2-CG 3.62Å; P532-L559 HydrophobicContact CB-CD2 4.14Å; P532-V623 HydrophobicContact CB-CB 4.37Å; P532-V623 HydrophobicContact CB-CG2 4.48Å | ||
| 533 | T | 86 | Confident | 83.7 | Confident | 73 Ų | 73 | 50.4 Ų | 50.4 | 45% | 0.448 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 149.9 | 179.7 | 54.6 | 0 | 0 | 0 | 0 | 110.9 | C531 A556 K557 | C531-T533 PolarHBondContact O-N 2.83Å; T533-A556 CarbonylContact O-C 3.59Å; T533-A556 VanDerWaalsContact O-CA 3.25Å; T533-A556 WeakPolarHBondContact O-CA 3.32Å; T533-K557 PolarHBondContact O-N 2.9Å |
| 534 | V | 86.3 | Confident | 83.6 | Confident | 33 Ų | 33 | 49.3 Ų | 49.3 | 20% | 0.2 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 116.1 | 170 | 174.2 | 0 | 0 | 0 | 0 | 107.3 | V537 V554 I555 A556 V623 | V534-V537 HydrophobicContact CG1-CG2 3.73Å; V534-V554 HydrophobicContact CG1-CG1 4.02Å; V534-V554 HydrophobicContact CG2-CG1 4.31Å; V534-I555 CarbonylContact C-O 3.56Å; V534-I555 WeakPolarHBondContact CA-O 3.48Å; V534-A556 HydrophobicContact CG2-CB 4.5Å; V534-V623 HydrophobicContact CG2-CB 4.38Å; V534-V623 HydrophobicContact CG2-CG1 3.89Å; V534-V623 HydrophobicContact CG2-CG2 3.67Å |
| 535 | E | 86.5 | Confident | 83.5 | Confident | 112 Ų | 112 | 55 Ų | 55 | 52% | 0.523 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | -43.5 | -179.4 | 178.8 | 171.9 | -145.4 | 0 | 0 | 111.6 | I555 K557 | E535-I555 HydrophobicContact CB-CB 4.38Å; E535-I555 HydrophobicContact CB-CG2 4.14Å; E535-I555 PolarHBondContact N-O 3.09Å; E535-K557 IonicContact OE1-NZ 2.72Å; E535-K557 PolarHBondContact OE1-NZ 2.91Å; E535-K557 WeakPolarHBondContact OE2-CE 3.49Å; E535-K557 IonicContact OE2-NZ 2.9Å; E535-K557 PolarHBondContact OE2-NZ 2.96Å |
| 536 | A | 88.7 | Confident | 83.9 | Confident | 32 Ų | 32 | 55.2 Ų | 55.2 | 26% | 0.264 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 148.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V538 I555 | A536-V538 HydrophobicContact CB-CG2 4.25Å; A536-I555 HydrophobicContact CB-CD1 4.24Å; A536-I555 PolarHBondContact O-N 2.86Å |
| 537 | V | 89.8 | Confident | 84.7 | Confident | 17 Ų | 17 | 52.7 Ų | 52.7 | 10% | 0.103 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 119.8 | 167.6 | -175.9 | 0 | 0 | 0 | 0 | 106.8 | V534 P539 A540 V552 L553 L611 F627 | V534-V537 HydrophobicContact CG1-CG2 3.73Å; V537-P539 CarbonylContact O-C 2.98Å; V537-A540 WeakPolarHBondContact O-CB 3.48Å; V537-A540 PolarHBondContact O-N 3.01Å; V537-V552 HydrophobicContact CG1-CG1 3.63Å; V537-L553 WeakPolarHBondContact CA-O 3.24Å; V537-L611 HydrophobicContact CG1-CD2 3.76Å; V537-L611 HydrophobicContact CG2-CD2 4.18Å; V537-F627 HydrophobicContact CG1-CD2 4.03Å; V537-F627 HydrophobicContact CG1-CE2 4.47Å |
| 538 | V | 91 | Very high | 85.4 | Confident | 81 Ų | 81 | 52.1 Ų | 52.1 | 49% | 0.491 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 115.5 | -172.2 | -174.9 | 0 | 0 | 0 | 0 | 109.7 | A536 L553 | A536-V538 HydrophobicContact CB-CG2 4.25Å; V538-L553 HydrophobicContact CB-CB 4.43Å; V538-L553 PolarHBondContact N-O 3.35Å; V538-L553 PolarHBondContact O-N 3.05Å |
| 539 | P | 91 | Very high | 86 | Confident | 47 Ų | 47 | 57.1 Ų | 57.1 | 31% | 0.305 | 32% | 0.316 | S | S | . | . | S | Bend | cis | -71.3 | 154.6 | -13.3 | 31.3 | -34 | 0 | 0 | 0 | 112.2 | V537 I542 F627 | V537-P539 CarbonylContact O-C 2.98Å; P539-I542 HydrophobicContact CG-CD1 4.2Å; P539-F627 VanDerWaalsContact O-CE2 3.25Å; P539-F627 WeakPolarHBondContact O-CE2 3.36Å |
| 540 | A | 86.3 | Confident | 86.6 | Confident | 46 Ų | 46 | 53.9 Ų | 53.9 | 38% | 0.38 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -89.6 | -17.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | V537 I628 | V537-A540 WeakPolarHBondContact O-CB 3.48Å; V537-A540 PolarHBondContact O-N 3.01Å; A540-I628 PolarHBondContact O-N 3.27Å; A540-I628 VanDerWaalsContact O-N 3.12Å |
| 541 | N | 88.7 | Confident | 87.1 | Confident | 77 Ų | 77 | 56.4 Ų | 56.4 | 41% | 0.412 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 144.8 | -177.9 | 54.3 | 2.7 | 0 | 0 | 0 | 110.1 | I628 W646 | N541-I628 CarbonylContact C-O 3.38Å; N541-I628 WeakPolarHBondContact CA-O 3.13Å; N541-I628 HydrophobicContact CB-CB 4.01Å; N541-W646 HydrophobicContact CB-CZ3 4.44Å |
| 542 | I | 88.7 | Confident | 87.3 | Confident | 13 Ų | 13 | 56.1 Ų | 56.1 | 7% | 0.067 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 153.7 | -178.3 | -144.6 | 162.1 | 0 | 0 | 0 | 112.3 | P539 Q546 T550 L591 F627 I628 F629 Y630 | P539-I542 HydrophobicContact CG-CD1 4.2Å; I542-Q546 HydrophobicContact CD1-CB 4.04Å; I542-Q546 HydrophobicContact CD1-CG 3.57Å; I542-Q546 HydrophobicContact CG1-CB 3.93Å; I542-Q546 HydrophobicContact CG1-CG 3.88Å; I542-T550 HydrophobicContact CD1-CG2 3.92Å; I542-L591 HydrophobicContact CD1-CD1 3.68Å; I542-L591 HydrophobicContact CG2-CD1 4.25Å; I542-F627 HydrophobicContact CB-CZ 4.19Å; I542-F627 HydrophobicContact CG2-CE1 3.77Å; I542-F627 HydrophobicContact CG2-CZ 3.8Å; I542-I628 PolarHBondContact N-O 3.15Å; I542-F629 HydrophobicContact CG2-CD1 3.68Å; I542-F629 HydrophobicContact CG2-CE1 3.75Å; I542-F629 VanDerWaalsContact O-CA 3.28Å; I542-F629 WeakPolarHBondContact O-CA 3.21Å; I542-Y630 VanDerWaalsContact C-CD1 3.43Å; I542-Y630 WeakPolarHBondContact O-CD1 3.33Å; I542-Y630 PolarHBondContact O-N 2.99Å; I542-Y630 VanDerWaalsContact O-N 3.08Å |
| 543 | S | 86.3 | Confident | 87.6 | Confident | 4 Ų | 4 | 57 Ų | 57 | 3% | 0.028 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 141.3 | 176 | 178.4 | 0 | 0 | 0 | 0 | 110.3 | Y545 Q546 Y630 | S543-Y545 PolarHBondContact O-N 2.87Å; S543-Y545 PolarHBondContact OG-N 2.98Å; S543-Q546 WeakPolarHBondContact O-CB 3.49Å; S543-Q546 PolarHBondContact O-N 3Å; S543-Q546 VanDerWaalsContact O-N 3.15Å; S543-Y630 VanDerWaalsContact N-CE1 3.28Å |
| 544 | F | 86.2 | Confident | 87.8 | Confident | 18 Ų | 18 | 53.7 Ų | 53.7 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -30.6 | 174.5 | -174.6 | -98.6 | 0 | 0 | 0 | 112.9 | Q594 R597 P598 N599 F629 Y630 | F544-Q594 HydrophobicContact CE1-CG 4.35Å; F544-R597 HydrophobicContact CD2-CB 4.36Å; F544-R597 HydrophobicContact CE2-CB 3.77Å; F544-R597 HydrophobicContact CZ-CB 4.41Å; F544-R597 PolarHBondContact O-NH1 3.34Å; F544-P598 WeakPolarHBondContact CE2-O 3.47Å; F544-N599 WeakPolarHBondContact CZ-OD1 3.41Å; F544-F629 HydrophobicContact CD2-CB 4.43Å; F544-Y630 PolarHBondContact N-O 2.86Å |
| 545 | Y | 83.8 | Confident | 88 | Confident | 125 Ų | 125 | 53.7 Ų | 53.7 | 49% | 0.49 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 7.2 | -175.3 | -54.8 | -77.6 | 0 | 0 | 0 | 115.3 | S543 D631 | S543-Y545 PolarHBondContact O-N 2.87Å; S543-Y545 PolarHBondContact OG-N 2.98Å; Y545-D631 PolarHBondContact OH-OD2 3.06Å |
| 546 | Q | 86.6 | Confident | 88 | Confident | 60 Ų | 60 | 48.4 Ų | 48.4 | 28% | 0.28 | 26% | 0.264 | S | S | . | . | trans | -70 | 150 | -176.8 | -169.7 | 68.6 | 25 | 0 | 0 | 113.6 | I542 S543 T550 L591 R597 | I542-Q546 HydrophobicContact CD1-CB 4.04Å; I542-Q546 HydrophobicContact CD1-CG 3.57Å; I542-Q546 HydrophobicContact CG1-CB 3.93Å; I542-Q546 HydrophobicContact CG1-CG 3.88Å; S543-Q546 WeakPolarHBondContact O-CB 3.49Å; S543-Q546 PolarHBondContact O-N 3Å; S543-Q546 VanDerWaalsContact O-N 3.15Å; Q546-T550 WeakPolarHBondContact CG-OG1 3.46Å; Q546-L591 HydrophobicContact CG-CD1 4.42Å; Q546-R597 PolarHBondContact O-NH1 3.37Å; Q546-R597 PolarHBondContact O-NH2 2.95Å | ||
| 547 | S | 85.9 | Confident | 87.8 | Confident | 69 Ų | 69 | 49.7 Ų | 49.7 | 48% | 0.483 | 26% | 0.264 | S | S | . | . | trans | -59.7 | 140.9 | 177.5 | 178.2 | 0 | 0 | 0 | 0 | 114.3 | Q549 T550 | S547-Q549 PolarHBondContact O-N 3.28Å; S547-Q549 PolarHBondContact OG-N 2.75Å; S547-T550 WeakPolarHBondContact O-CB 3.48Å; S547-T550 PolarHBondContact O-N 2.81Å; S547-T550 PolarHBondContact O-OG1 2.9Å | ||
| 548 | A | 84.3 | Confident | 87.3 | Confident | 19 Ų | 19 | 51.1 Ų | 51.1 | 16% | 0.157 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -19.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | T550 L591 | A548-T550 PolarHBondContact O-N 3.11Å; A548-L591 PolarHBondContact O-N 3.44Å |
| 549 | Q | 83.8 | Confident | 86.8 | Confident | 171 Ų | 171 | 47.6 Ų | 47.6 | 80% | 0.799 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -0.2 | 174.8 | -66.4 | -164.8 | -17.9 | 0 | 0 | 114.1 | S547 E551 | S547-Q549 PolarHBondContact O-N 3.28Å; S547-Q549 PolarHBondContact OG-N 2.75Å; Q549-E551 PolarHBondContact O-N 2.91Å |
| 550 | T | 87.3 | Confident | 86.1 | Confident | 34 Ų | 34 | 45.4 Ų | 45.4 | 21% | 0.209 | 23% | 0.233 | C | C | . | . | trans | -73.1 | 123.5 | 178.9 | -47.3 | 0 | 0 | 0 | 0 | 110 | I542 Q546 S547 A548 L591 | I542-T550 HydrophobicContact CD1-CG2 3.92Å; Q546-T550 WeakPolarHBondContact CG-OG1 3.46Å; S547-T550 WeakPolarHBondContact O-CB 3.48Å; S547-T550 PolarHBondContact O-N 2.81Å; S547-T550 PolarHBondContact O-OG1 2.9Å; A548-T550 PolarHBondContact O-N 3.11Å; T550-L591 HydrophobicContact CG2-CD1 4.26Å; T550-L591 PolarHBondContact O-N 2.83Å | ||
| 551 | E | 89.9 | Confident | 85 | Confident | 131 Ų | 131 | 46.6 Ų | 46.6 | 61% | 0.612 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 134.2 | 177.5 | -63.6 | -175 | 155.6 | 0 | 0 | 111.4 | Q549 V588 | Q549-E551 PolarHBondContact O-N 2.91Å; E551-V588 HydrophobicContact CB-CG1 4.2Å; E551-V588 HydrophobicContact CG-CG1 4.23Å |
| 552 | V | 90.6 | Very high | 83.6 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 113.8 | 171.2 | -178.4 | 0 | 0 | 0 | 0 | 107.9 | V537 V554 F572 C589 L591 L611 F627 | V537-V552 HydrophobicContact CG1-CG1 3.63Å; V552-V554 HydrophobicContact CG1-CG2 4.42Å; V552-F572 HydrophobicContact CB-CZ 4.27Å; V552-F572 HydrophobicContact CG1-CZ 4.44Å; V552-F572 HydrophobicContact CG2-CE1 4.44Å; V552-F572 HydrophobicContact CG2-CZ 4.13Å; V552-C589 PolarHBondContact N-O 2.66Å; V552-C589 PolarHBondContact O-N 2.6Å; V552-L591 HydrophobicContact CG2-CD2 3.64Å; V552-L591 HydrophobicContact CG2-CG 3.97Å; V552-L611 HydrophobicContact CG1-CD2 4.43Å; V552-F627 HydrophobicContact CG1-CD2 4.4Å; V552-F627 HydrophobicContact CG1-CE2 3.98Å; V552-F627 HydrophobicContact CG2-CE2 3.97Å; V552-F627 HydrophobicContact CG2-CZ 4.22Å |
| 553 | L | 91.6 | Very high | 82 | Confident | 36 Ų | 36 | 49.1 Ų | 49.1 | 19% | 0.188 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 125.8 | 175.2 | 177.9 | 67.6 | 0 | 0 | 0 | 109.8 | V537 V538 I555 E586 V588 | V537-L553 WeakPolarHBondContact CA-O 3.24Å; V538-L553 HydrophobicContact CB-CB 4.43Å; V538-L553 PolarHBondContact N-O 3.35Å; V538-L553 PolarHBondContact O-N 3.05Å; L553-I555 HydrophobicContact CD2-CD1 4.36Å; L553-I555 HydrophobicContact CD2-CG1 4.33Å; L553-I555 HydrophobicContact CG-CG1 4.23Å; L553-E586 HydrophobicContact CD1-CB 4.15Å; L553-E586 HydrophobicContact CD1-CG 4.48Å; L553-V588 HydrophobicContact CD1-CG2 4.03Å |
| 554 | V | 89.9 | Confident | 80.3 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.012 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 115.8 | 175.7 | -172.7 | 0 | 0 | 0 | 0 | 109.2 | V534 V552 F587 L611 I613 | V534-V554 HydrophobicContact CG1-CG1 4.02Å; V534-V554 HydrophobicContact CG2-CG1 4.31Å; V552-V554 HydrophobicContact CG1-CG2 4.42Å; V554-F587 HydrophobicContact CB-CB 4.39Å; V554-F587 PolarHBondContact N-O 2.84Å; V554-F587 PolarHBondContact O-N 2.98Å; V554-L611 HydrophobicContact CG2-CD2 3.9Å; V554-I613 HydrophobicContact CG1-CD1 3.9Å; V554-I613 HydrophobicContact CG1-CG1 4.38Å |
| 555 | I | 90.2 | Very high | 78.9 | Confident | 34 Ų | 34 | 58 Ų | 58 | 17% | 0.174 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 114.3 | 177.1 | -52.6 | -177.7 | 0 | 0 | 0 | 108 | V534 E535 A536 L553 E585 E586 | V534-I555 CarbonylContact C-O 3.56Å; V534-I555 WeakPolarHBondContact CA-O 3.48Å; E535-I555 HydrophobicContact CB-CB 4.38Å; E535-I555 HydrophobicContact CB-CG2 4.14Å; E535-I555 PolarHBondContact N-O 3.09Å; A536-I555 HydrophobicContact CB-CD1 4.24Å; A536-I555 PolarHBondContact O-N 2.86Å; L553-I555 HydrophobicContact CD2-CD1 4.36Å; L553-I555 HydrophobicContact CD2-CG1 4.33Å; L553-I555 HydrophobicContact CG-CG1 4.23Å; I555-E585 CarbonylContact C-O 3.55Å; I555-E585 WeakPolarHBondContact CA-O 3.5Å; I555-E586 HydrophobicContact CG1-CG 4.48Å |
| 556 | A | 86.6 | Confident | 77.8 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.008 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 123.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T533 V534 L559 E585 F587 I613 V623 | T533-A556 CarbonylContact O-C 3.59Å; T533-A556 VanDerWaalsContact O-CA 3.25Å; T533-A556 WeakPolarHBondContact O-CA 3.32Å; V534-A556 HydrophobicContact CG2-CB 4.5Å; A556-L559 HydrophobicContact CB-CD1 3.84Å; A556-E585 PolarHBondContact N-O 3.41Å; A556-E585 WeakPolarHBondContact O-CA 3.24Å; A556-E585 WeakPolarHBondContact O-CB 3.47Å; A556-F587 HydrophobicContact CB-CD2 4.33Å; A556-F587 HydrophobicContact CB-CE2 4.19Å; A556-I613 HydrophobicContact CB-CD1 3.91Å; A556-V623 HydrophobicContact CB-CG1 4.25Å |
| 557 | K | 84.8 | Confident | 76.9 | Confident | 59 Ų | 59 | 53.3 Ų | 53.3 | 26% | 0.257 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 159.3 | -176.7 | -66.2 | -167 | 165.7 | 151.6 | 0 | 112.7 | T533 E535 L559 E585 | T533-K557 PolarHBondContact O-N 2.9Å; E535-K557 IonicContact OE1-NZ 2.72Å; E535-K557 PolarHBondContact OE1-NZ 2.91Å; E535-K557 WeakPolarHBondContact OE2-CE 3.49Å; E535-K557 IonicContact OE2-NZ 2.9Å; E535-K557 PolarHBondContact OE2-NZ 2.96Å; K557-L559 VanDerWaalsContact C-N 3.28Å; K557-L559 PolarHBondContact O-N 2.81Å; K557-E585 WeakPolarHBondContact CE-OE2 3Å |
| 558 | H | 80.6 | Confident | 76.8 | Confident | 47 Ų | 47 | 50.5 Ų | 50.5 | 22% | 0.218 | 31% | 0.308 | C | S | . | . | S | Bend | trans | 62.9 | 19.2 | 170.8 | -51.1 | -67.7 | 0 | 0 | 0 | 117.1 | T529 Q530 | T529-H558 PolarHBondContact O-NE2 3.41Å; Q530-H558 VanDerWaalsContact O-CB 3.26Å; Q530-H558 WeakPolarHBondContact O-CB 3.4Å |
| 559 | L | 79.9 | Confident | 77 | Confident | 6 Ų | 6 | 53.9 Ų | 53.9 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 148.9 | 171.5 | -68 | 167.1 | 0 | 0 | 0 | 111.6 | P532 A556 K557 F587 V622 | P532-L559 HydrophobicContact CB-CD2 4.14Å; A556-L559 HydrophobicContact CB-CD1 3.84Å; K557-L559 VanDerWaalsContact C-N 3.28Å; K557-L559 PolarHBondContact O-N 2.81Å; L559-F587 HydrophobicContact CD1-CE2 3.58Å; L559-F587 HydrophobicContact CD1-CZ 3.64Å; L559-V622 HydrophobicContact CD2-CB 4.22Å; L559-V622 HydrophobicContact CD2-CG1 3.33Å |
| 560 | P | 75.3 | Confident | 77.3 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 150.9 | 174.2 | -23.7 | 34.4 | 0 | 0 | 0 | 112.7 | T503 L504 R581 | T503-P560 HydrophobicContact CG2-CG 4Å; L504-P560 HydrophobicContact CD2-CG 4.13Å; L504-P560 HydrophobicContact CG-CG 4.14Å; P560-R581 PolarHBondContact O-NH1 3.3Å; P560-R581 PolarHBondContact O-NH2 3.2Å |
| 561 | A | 65.2 | Low | 77.4 | Confident | 72 Ų | 72 | 45.6 Ų | 45.6 | 60% | 0.595 | 28% | 0.279 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 129.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | I563 | A561-I563 PolarHBondContact O-N 3.32Š|
| 562 | S | 58.4 | Low | 77.4 | Confident | 49 Ų | 49 | 39.7 Ų | 39.7 | 34% | 0.343 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 122.2 | -177.8 | -169.9 | 0 | 0 | 0 | 0 | 110.4 | E566 | S562-E566 WeakPolarHBondContact CA-OE2 3.41Å; S562-E566 WeakPolarHBondContact CB-OE2 3.48Å; S562-E566 WeakPolarHBondContact OG-CB 3.41Å; S562-E566 PolarHBondContact OG-OE2 3.28Å |
| 563 | I | 54.6 | Low | 77 | Confident | 94 Ų | 94 | 40.9 Ų | 40.9 | 48% | 0.482 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -78 | 133.6 | 167 | -54.2 | 169.5 | 0 | 0 | 0 | 106 | E519 A561 G565 | E519-I563 HydrophobicContact CG-CD1 4.05Å; E519-I563 WeakPolarHBondContact OE1-CD1 3.21Å; A561-I563 PolarHBondContact O-N 3.32Å; I563-G565 PolarHBondContact O-N 2.04Å; I563-G565 VanDerWaalsContact O-N 3.14Å |
| 564 | S | 50.8 | Low | 76.6 | Confident | 124 Ų | 124 | 48.3 Ų | 48.3 | 87% | 0.867 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -38.1 | 113.6 | -167.8 | 61.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 565 | G | 58 | Low | 76.5 | Confident | 83 Ų | 83 | 49.5 Ų | 49.5 | 86% | 0.856 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 123.9 | -2.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | I563 | I563-G565 PolarHBondContact O-N 2.04Å; I563-G565 VanDerWaalsContact O-N 3.14Å |
| 566 | E | 58.9 | Low | 76.3 | Confident | 33 Ų | 33 | 51.2 Ų | 51.2 | 15% | 0.154 | 32% | 0.32 | C | S | . | . | trans | -83 | 131.4 | 178.6 | -57.1 | 171.8 | 144.1 | 0 | 0 | 112.9 | S562 R617 | S562-E566 WeakPolarHBondContact CA-OE2 3.41Å; S562-E566 WeakPolarHBondContact CB-OE2 3.48Å; S562-E566 WeakPolarHBondContact OG-CB 3.41Å; S562-E566 PolarHBondContact OG-OE2 3.28Å; E566-R617 HydrophobicContact CG-CB 4.23Å; E566-R617 WeakPolarHBondContact OE1-CD 3.42Å; E566-R617 IonicContact OE1-CZ 3.32Å; E566-R617 IonicContact OE1-NE 3.17Å; E566-R617 IonicContact OE1-NH1 3.59Å; E566-R617 PolarHBondContact OE1-NH1 2.89Å | ||
| 567 | A | 69.4 | Low | 76.4 | Confident | 55 Ų | 55 | 52.6 Ų | 52.6 | 46% | 0.455 | 33% | 0.328 | S | S | . | . | trans | -104.5 | 127.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | S616 | A567-S616 PolarHBondContact N-OG 3.47Å; A567-S616 VanDerWaalsContact O-CB 3.22Å; A567-S616 WeakPolarHBondContact O-CB 3.23Å; A567-S616 PolarHBondContact O-N 3.41Å; A567-S616 PolarHBondContact O-OG 3.12Å | ||
| 568 | Y | 82.4 | Confident | 76.5 | Confident | 9 Ų | 9 | 53.3 Ų | 53.3 | 4% | 0.035 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 153.8 | 169.4 | -67.3 | -86.2 | 0 | 0 | 0 | 110.4 | A579 F587 I613 W614 | Y568-A579 WeakPolarHBondContact O-CB 3.39Å; Y568-A579 PolarHBondContact O-N 2.87Å; Y568-F587 HydrophobicContact CD1-CE1 4.36Å; Y568-F587 AromaticContact CD2-CE1 3.66Å; Y568-F587 HydrophobicContact CD2-CE1 3.66Å; Y568-F587 HydrophobicContact CE2-CE1 4.09Å; Y568-F587 HydrophobicContact CG-CD1 4.45Å; Y568-F587 AromaticContact CG-CE1 3.79Å; Y568-F587 HydrophobicContact CG-CE1 3.79Å; Y568-I613 HydrophobicContact CD1-CG2 3.76Å; Y568-I613 HydrophobicContact CG-CG2 4.37Å; Y568-W614 CarbonylContact C-O 3.57Å; Y568-W614 WeakPolarHBondContact CA-O 3.28Å |
| 569 | K | 88.4 | Confident | 76.7 | Confident | 91 Ų | 91 | 51.7 Ų | 51.7 | 40% | 0.396 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 145.7 | 174.5 | -61.4 | -178.8 | 179.9 | -176.6 | 0 | 110.3 | V577 I613 W614 | K569-V577 CarbonylContact C-O 3.57Å; K569-V577 VanDerWaalsContact CA-O 3.31Å; K569-V577 WeakPolarHBondContact CA-O 3.38Å; K569-V577 WeakPolarHBondContact CB-O 3.47Å; K569-I613 CarbonylContact O-C 3.41Å; K569-I613 WeakPolarHBondContact O-CA 3.48Å; K569-W614 HydrophobicContact CB-CB 4.34Å; K569-W614 PolarHBondContact N-O 2.98Å; K569-W614 PolarHBondContact O-N 3.29Å |
| 570 | C | 89.5 | Confident | 76.9 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 129.3 | 167.4 | -82.4 | 0 | 0 | 0 | 0 | 109.8 | F572 S576 V577 C589 L611 K612 | C570-F572 HydrophobicContact CB-CE2 4.11Å; C570-S576 CarbonylContact O-C 3.55Å; C570-S576 WeakPolarHBondContact O-CA 3.24Å; C570-V577 PolarHBondContact N-O 3.24Å; C570-V577 PolarHBondContact O-N 2.92Å; C570-C589 HydrophobicContact CB-CB 3.54Å; C570-C589 WeakPolarHBondContact CB-SG 3.06Å; C570-C589 WeakPolarHBondContact SG-CB 3.48Å; C570-C589 CovalentContact SG-SG 2.01Å; C570-C589 PolarHBondContact SG-SG 3.35Å; C570-L611 HydrophobicContact CB-CD1 4.22Å; C570-K612 CarbonylContact C-O 3.43Å; C570-K612 WeakPolarHBondContact CA-O 3.45Å |
| 571 | L | 90 | Very high | 77.1 | Confident | 31 Ų | 31 | 60.6 Ų | 60.6 | 16% | 0.162 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 120 | 169.8 | -73.2 | 109.4 | 0 | 0 | 0 | 110.9 | V575 L611 K612 W614 | L571-V575 CarbonylContact C-O 3.59Å; L571-V575 VanDerWaalsContact CA-O 3.22Å; L571-V575 WeakPolarHBondContact CA-O 3.1Å; L571-L611 CarbonylContact O-C 3.58Å; L571-L611 VanDerWaalsContact O-CA 3.27Å; L571-L611 WeakPolarHBondContact O-CA 3.45Å; L571-K612 HydrophobicContact CB-CB 4.36Å; L571-K612 PolarHBondContact N-O 3.39Å; L571-K612 PolarHBondContact O-N 3.01Å; L571-W614 HydrophobicContact CD1-CB 3.31Å; L571-W614 HydrophobicContact CD1-CD2 3.96Å; L571-W614 HydrophobicContact CD1-CE3 3.85Å; L571-W614 HydrophobicContact CD1-CG 3.79Å |
| 572 | F | 90 | Very high | 77.9 | Confident | 6 Ų | 6 | 64.9 Ų | 64.9 | 3% | 0.026 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 98.2 | 170.3 | -67.5 | -98.1 | 0 | 0 | 0 | 108.5 | V552 C570 Q574 V575 V577 C589 N590 L591 P592 L611 F627 | V552-F572 HydrophobicContact CB-CZ 4.27Å; V552-F572 HydrophobicContact CG1-CZ 4.44Å; V552-F572 HydrophobicContact CG2-CE1 4.44Å; V552-F572 HydrophobicContact CG2-CZ 4.13Å; C570-F572 HydrophobicContact CB-CE2 4.11Å; F572-Q574 PolarHBondContact O-N 3.45Å; F572-V575 PolarHBondContact N-O 3.06Å; F572-V575 PolarHBondContact O-N 3.46Å; F572-V575 VanDerWaalsContact O-N 3.08Å; F572-V577 HydrophobicContact CD2-CG2 4.44Å; F572-C589 HydrophobicContact CE2-CB 4.46Å; F572-N590 WeakPolarHBondContact CE2-O 3.37Å; F572-L591 HydrophobicContact CE1-CD2 4.11Å; F572-L591 HydrophobicContact CZ-CD2 4.35Å; F572-P592 HydrophobicContact CB-CG 3.57Å; F572-P592 HydrophobicContact CD1-CG 4.43Å; F572-P592 HydrophobicContact CD2-CG 3.78Å; F572-P592 HydrophobicContact CG-CG 3.7Å; F572-L611 HydrophobicContact CD1-CD1 3.88Å; F572-L611 HydrophobicContact CD2-CD1 4.03Å; F572-L611 HydrophobicContact CE1-CD1 3.72Å; F572-L611 HydrophobicContact CE1-CD2 4.35Å; F572-L611 HydrophobicContact CE2-CD1 3.88Å; F572-L611 HydrophobicContact CG-CD1 4.03Å; F572-L611 HydrophobicContact CZ-CD1 3.72Å; F572-F627 HydrophobicContact CD1-CD1 4.12Å; F572-F627 HydrophobicContact CD1-CG 4.24Å; F572-F627 HydrophobicContact CE1-CD1 4.12Å; F572-F627 HydrophobicContact CE1-CD2 4.11Å; F572-F627 HydrophobicContact CE1-CE1 4.29Å; F572-F627 HydrophobicContact CE1-CE2 4.26Å; F572-F627 HydrophobicContact CE1-CG 4.04Å; F572-F627 HydrophobicContact CE1-CZ 4.37Å |
| 573 | G | 83.3 | Confident | 78.9 | Confident | 26 Ų | 26 | 65 Ų | 65 | 27% | 0.268 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | -100.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | P610 | G573-P610 PolarHBondContact N-O 3.04Š|
| 574 | Q | 82.9 | Confident | 79.9 | Confident | 191 Ų | 191 | 64.1 Ų | 64.1 | 89% | 0.893 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.4 | -5.4 | 175.8 | -61.3 | -150.6 | -7.2 | 0 | 0 | 113.8 | F572 | F572-Q574 PolarHBondContact O-N 3.45Š|
| 575 | V | 87 | Confident | 81.4 | Confident | 28 Ų | 28 | 61.4 Ų | 61.4 | 17% | 0.17 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 128.5 | -175.7 | -173.6 | 0 | 0 | 0 | 0 | 109.9 | L571 F572 P592 E596 | L571-V575 CarbonylContact C-O 3.59Å; L571-V575 VanDerWaalsContact CA-O 3.22Å; L571-V575 WeakPolarHBondContact CA-O 3.1Å; F572-V575 PolarHBondContact N-O 3.06Å; F572-V575 PolarHBondContact O-N 3.46Å; F572-V575 VanDerWaalsContact O-N 3.08Å; V575-P592 HydrophobicContact CB-CB 4.36Å; V575-P592 HydrophobicContact CB-CG 4.27Å; V575-P592 HydrophobicContact CG1-CB 3.99Å; V575-P592 HydrophobicContact CG1-CG 4.23Å; V575-E596 HydrophobicContact CG1-CB 4.26Å; V575-E596 VanDerWaalsContact CG1-OE2 3.3Å; V575-E596 WeakPolarHBondContact CG1-OE2 2.9Å; V575-E596 HydrophobicContact CG2-CB 3.77Å; V575-E596 WeakPolarHBondContact CG2-O 3.15Å |
| 576 | S | 86 | Confident | 82.9 | Confident | 70 Ų | 70 | 59.4 Ų | 59.4 | 49% | 0.49 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 131 | -178.3 | 73.8 | 0 | 0 | 0 | 0 | 112.8 | C570 | C570-S576 CarbonylContact O-C 3.55Å; C570-S576 WeakPolarHBondContact O-CA 3.24Å |
| 577 | V | 89.1 | Confident | 84.3 | Confident | 30 Ų | 30 | 57.9 Ų | 57.9 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 147.8 | 175.4 | -172.3 | 0 | 0 | 0 | 0 | 109.1 | K569 C570 F572 N590 | K569-V577 CarbonylContact C-O 3.57Å; K569-V577 VanDerWaalsContact CA-O 3.31Å; K569-V577 WeakPolarHBondContact CA-O 3.38Å; K569-V577 WeakPolarHBondContact CB-O 3.47Å; C570-V577 PolarHBondContact N-O 3.24Å; C570-V577 PolarHBondContact O-N 2.92Å; F572-V577 HydrophobicContact CD2-CG2 4.44Å; V577-N590 HydrophobicContact CG1-CB 4.07Å |
| 578 | A | 85.9 | Confident | 85.3 | Confident | 73 Ų | 73 | 56.2 Ų | 56.2 | 60% | 0.603 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 139.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 579 | A | 85.9 | Confident | 85.7 | Confident | 14 Ų | 14 | 55.8 Ų | 55.8 | 12% | 0.116 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 123.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y568 F587 V588 C589 | Y568-A579 WeakPolarHBondContact O-CB 3.39Å; Y568-A579 PolarHBondContact O-N 2.87Å; A579-F587 HydrophobicContact CB-CD1 4.47Å; A579-V588 WeakPolarHBondContact CA-O 3.37Å; A579-C589 WeakPolarHBondContact CB-SG 3.13Å |
| 580 | I | 84.6 | Confident | 85.9 | Confident | 120 Ų | 120 | 55.2 Ų | 55.2 | 62% | 0.615 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 118.5 | 177.3 | -58.1 | 172 | 0 | 0 | 0 | 108.2 | R582 F587 V588 | I580-R582 PolarHBondContact O-N 3.49Å; I580-F587 CarbonylContact O-C 3.53Å; I580-F587 WeakPolarHBondContact O-CA 3.3Å; I580-V588 HydrophobicContact CB-CB 4.5Å; I580-V588 PolarHBondContact N-O 3.49Å; I580-V588 PolarHBondContact O-N 3.24Å |
| 581 | R | 78.9 | Confident | 85.9 | Confident | 73 Ų | 73 | 55.5 Ų | 55.5 | 28% | 0.275 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 107 | 178.5 | -169.1 | 173.3 | -169.2 | 172.5 | 6 | 109.6 | P560 S583 A584 E586 F587 | P560-R581 PolarHBondContact O-NH1 3.3Å; P560-R581 PolarHBondContact O-NH2 3.2Å; R581-S583 WeakPolarHBondContact CG-O 3.4Å; R581-S583 PolarHBondContact NE-O 3.14Å; R581-A584 PolarHBondContact NE-O 3.18Å; R581-A584 PolarHBondContact NH2-O 2.95Å; R581-E586 CarbonylContact C-O 3.57Å; R581-E586 WeakPolarHBondContact CA-O 3.39Å; R581-F587 HydrophobicContact CB-CD1 4.2Å; R581-F587 HydrophobicContact CB-CE1 4.11Å; R581-F587 HydrophobicContact CG-CD1 4.29Å; R581-F587 HydrophobicContact CG-CE1 3.89Å; R581-F587 HydrophobicContact CG-CZ 4.21Å |
| 582 | R | 81.6 | Confident | 85.9 | Confident | 163 Ų | 163 | 54.2 Ų | 54.2 | 62% | 0.615 | 30% | 0.302 | S | S | * | . | trans | -82.2 | -34.2 | -177.4 | -165.1 | 178.1 | 81.4 | 168 | 4.2 | 112.4 | I580 E586 V588 | I580-R582 PolarHBondContact O-N 3.49Å; R582-E586 HydrophobicContact CB-CB 4.15Å; R582-E586 IonicContact CZ-OE1 3.84Å; R582-E586 IonicContact CZ-OE2 3.29Å; R582-E586 VanDerWaalsContact CZ-OE2 3.29Å; R582-E586 PolarHBondContact N-O 2.97Å; R582-E586 IonicContact NE-OE2 2.79Å; R582-E586 PolarHBondContact NE-OE2 3.46Å; R582-E586 IonicContact NH2-OE1 2.87Å; R582-E586 PolarHBondContact NH2-OE1 3.46Å; R582-E586 IonicContact NH2-OE2 2.97Å; R582-E586 PolarHBondContact NH2-OE2 2.97Å; R582-V588 HydrophobicContact CB-CG2 4.44Å | ||
| 583 | S | 79.9 | Confident | 85.8 | Confident | 51 Ų | 51 | 59.3 Ų | 59.3 | 36% | 0.357 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -147.6 | -176 | 177.3 | 71.8 | 0 | 0 | 0 | 0 | 110.4 | R581 E585 E586 | R581-S583 WeakPolarHBondContact CG-O 3.4Å; R581-S583 PolarHBondContact NE-O 3.14Å; S583-E585 PolarHBondContact O-N 3.5Å; S583-E585 VanDerWaalsContact O-N 3.08Å; S583-E586 VanDerWaalsContact OG-CB 3.28Å; S583-E586 WeakPolarHBondContact OG-CB 3.48Å; S583-E586 VanDerWaalsContact OG-CG 3.24Å; S583-E586 WeakPolarHBondContact OG-CG 3.26Å; S583-E586 PolarHBondContact OG-N 3.45Å; S583-E586 PolarHBondContact OG-OE2 3.38Å |
| 584 | A | 75.1 | Confident | 85.9 | Confident | 76 Ų | 76 | 62.4 Ų | 62.4 | 63% | 0.628 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -55.2 | -27.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R581 | R581-A584 PolarHBondContact NE-O 3.18Å; R581-A584 PolarHBondContact NH2-O 2.95Å |
| 585 | E | 83.4 | Confident | 86 | Confident | 66 Ų | 66 | 62.4 Ų | 62.4 | 31% | 0.308 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -124.4 | -6.6 | -174.2 | -58.2 | -170.6 | 152.6 | 0 | 0 | 114.3 | I555 A556 K557 S583 | I555-E585 CarbonylContact C-O 3.55Å; I555-E585 WeakPolarHBondContact CA-O 3.5Å; A556-E585 PolarHBondContact N-O 3.41Å; A556-E585 WeakPolarHBondContact O-CA 3.24Å; A556-E585 WeakPolarHBondContact O-CB 3.47Å; K557-E585 WeakPolarHBondContact CE-OE2 3Å; S583-E585 PolarHBondContact O-N 3.5Å; S583-E585 VanDerWaalsContact O-N 3.08Å |
| 586 | E | 88.1 | Confident | 86 | Confident | 42 Ų | 42 | 66.1 Ų | 66.1 | 20% | 0.196 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 130.7 | -175.8 | -65.9 | 174.4 | 149.8 | 0 | 0 | 113 | L553 I555 R581 R582 S583 | L553-E586 HydrophobicContact CD1-CB 4.15Å; L553-E586 HydrophobicContact CD1-CG 4.48Å; I555-E586 HydrophobicContact CG1-CG 4.48Å; R581-E586 CarbonylContact C-O 3.57Å; R581-E586 WeakPolarHBondContact CA-O 3.39Å; R582-E586 HydrophobicContact CB-CB 4.15Å; R582-E586 IonicContact CZ-OE1 3.84Å; R582-E586 IonicContact CZ-OE2 3.29Å; R582-E586 VanDerWaalsContact CZ-OE2 3.29Å; R582-E586 PolarHBondContact N-O 2.97Å; R582-E586 IonicContact NE-OE2 2.79Å; R582-E586 PolarHBondContact NE-OE2 3.46Å; R582-E586 IonicContact NH2-OE1 2.87Å; R582-E586 PolarHBondContact NH2-OE1 3.46Å; R582-E586 IonicContact NH2-OE2 2.97Å; R582-E586 PolarHBondContact NH2-OE2 2.97Å; S583-E586 VanDerWaalsContact OG-CB 3.28Å; S583-E586 WeakPolarHBondContact OG-CB 3.48Å; S583-E586 VanDerWaalsContact OG-CG 3.24Å; S583-E586 WeakPolarHBondContact OG-CG 3.26Å; S583-E586 PolarHBondContact OG-N 3.45Å; S583-E586 PolarHBondContact OG-OE2 3.38Å |
| 587 | F | 88.3 | Confident | 86.1 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 131.1 | 176.9 | -60.3 | -96 | 0 | 0 | 0 | 110.5 | V554 A556 L559 Y568 A579 I580 R581 I613 | V554-F587 HydrophobicContact CB-CB 4.39Å; V554-F587 PolarHBondContact N-O 2.84Å; V554-F587 PolarHBondContact O-N 2.98Å; A556-F587 HydrophobicContact CB-CD2 4.33Å; A556-F587 HydrophobicContact CB-CE2 4.19Å; L559-F587 HydrophobicContact CD1-CE2 3.58Å; L559-F587 HydrophobicContact CD1-CZ 3.64Å; Y568-F587 HydrophobicContact CD1-CE1 4.36Å; Y568-F587 AromaticContact CD2-CE1 3.66Å; Y568-F587 HydrophobicContact CD2-CE1 3.66Å; Y568-F587 HydrophobicContact CE2-CE1 4.09Å; Y568-F587 HydrophobicContact CG-CD1 4.45Å; Y568-F587 AromaticContact CG-CE1 3.79Å; Y568-F587 HydrophobicContact CG-CE1 3.79Å; A579-F587 HydrophobicContact CB-CD1 4.47Å; I580-F587 CarbonylContact O-C 3.53Å; I580-F587 WeakPolarHBondContact O-CA 3.3Å; R581-F587 HydrophobicContact CB-CD1 4.2Å; R581-F587 HydrophobicContact CB-CE1 4.11Å; R581-F587 HydrophobicContact CG-CD1 4.29Å; R581-F587 HydrophobicContact CG-CE1 3.89Å; R581-F587 HydrophobicContact CG-CZ 4.21Å; F587-I613 HydrophobicContact CB-CD1 4.49Å; F587-I613 HydrophobicContact CD2-CD1 3.83Å; F587-I613 HydrophobicContact CE2-CD1 4.23Å; F587-I613 HydrophobicContact CG-CD1 4.08Å |
| 588 | V | 91.6 | Very high | 85.8 | Confident | 20 Ų | 20 | 64.5 Ų | 64.5 | 12% | 0.121 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 130.5 | 178.6 | -178.4 | 0 | 0 | 0 | 0 | 109.7 | E551 L553 A579 I580 R582 | E551-V588 HydrophobicContact CB-CG1 4.2Å; E551-V588 HydrophobicContact CG-CG1 4.23Å; L553-V588 HydrophobicContact CD1-CG2 4.03Å; A579-V588 WeakPolarHBondContact CA-O 3.37Å; I580-V588 HydrophobicContact CB-CB 4.5Å; I580-V588 PolarHBondContact N-O 3.49Å; I580-V588 PolarHBondContact O-N 3.24Å; R582-V588 HydrophobicContact CB-CG2 4.44Å |
| 589 | C | 90.4 | Very high | 85.6 | Confident | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.007 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 140.3 | -177.8 | -63.3 | 0 | 0 | 0 | 0 | 110.9 | V552 C570 F572 A579 | V552-C589 PolarHBondContact N-O 2.66Å; V552-C589 PolarHBondContact O-N 2.6Å; C570-C589 HydrophobicContact CB-CB 3.54Å; C570-C589 WeakPolarHBondContact CB-SG 3.06Å; C570-C589 WeakPolarHBondContact SG-CB 3.48Å; C570-C589 CovalentContact SG-SG 2.01Å; C570-C589 PolarHBondContact SG-SG 3.35Å; F572-C589 HydrophobicContact CE2-CB 4.46Å; A579-C589 WeakPolarHBondContact CB-SG 3.13Å |
| 590 | N | 91.3 | Very high | 85.2 | Confident | 78 Ų | 78 | 67.6 Ų | 67.6 | 42% | 0.417 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 156.4 | 173.4 | -64 | -15.6 | 0 | 0 | 0 | 110.8 | F572 V577 | F572-N590 WeakPolarHBondContact CE2-O 3.37Å; V577-N590 HydrophobicContact CG1-CB 4.07Å |
| 591 | L | 90.2 | Very high | 84.9 | Confident | 6 Ų | 6 | 66.4 Ų | 66.4 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 147.4 | 173.3 | -75 | 173.4 | 0 | 0 | 0 | 112 | I542 Q546 A548 T550 V552 F572 F627 F629 | I542-L591 HydrophobicContact CD1-CD1 3.68Å; I542-L591 HydrophobicContact CG2-CD1 4.25Å; Q546-L591 HydrophobicContact CG-CD1 4.42Å; A548-L591 PolarHBondContact O-N 3.44Å; T550-L591 HydrophobicContact CG2-CD1 4.26Å; T550-L591 PolarHBondContact O-N 2.83Å; V552-L591 HydrophobicContact CG2-CD2 3.64Å; V552-L591 HydrophobicContact CG2-CG 3.97Å; F572-L591 HydrophobicContact CE1-CD2 4.11Å; F572-L591 HydrophobicContact CZ-CD2 4.35Å; L591-F627 HydrophobicContact CD2-CE1 3.89Å; L591-F627 HydrophobicContact CD2-CZ 3.63Å; L591-F629 HydrophobicContact CD2-CE1 4.41Å |
| 592 | P | 89.6 | Confident | 84.4 | Confident | 4 Ų | 4 | 67.7 Ų | 67.7 | 3% | 0.026 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 153.2 | 167 | -26 | 35.6 | 0 | 0 | 0 | 112.8 | F572 V575 E596 R597 | F572-P592 HydrophobicContact CB-CG 3.57Å; F572-P592 HydrophobicContact CD1-CG 4.43Å; F572-P592 HydrophobicContact CD2-CG 3.78Å; F572-P592 HydrophobicContact CG-CG 3.7Å; V575-P592 HydrophobicContact CB-CB 4.36Å; V575-P592 HydrophobicContact CB-CG 4.27Å; V575-P592 HydrophobicContact CG1-CB 3.99Å; V575-P592 HydrophobicContact CG1-CG 4.23Å; P592-E596 HydrophobicContact CB-CB 4.39Å; P592-R597 HydrophobicContact CB-CG 4.23Å; P592-R597 VanDerWaalsContact O-CZ 3.3Å; P592-R597 PolarHBondContact O-NE 3.12Å; P592-R597 PolarHBondContact O-NH2 3.44Å |
| 593 | E | 88.9 | Confident | 83.8 | Confident | 113 Ų | 113 | 63.4 Ų | 63.4 | 53% | 0.528 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 148.7 | 170.4 | -72.5 | -65.9 | 168.9 | 0 | 0 | 110.8 | Q595 E596 R597 | E593-Q595 PolarHBondContact O-N 3.22Å; E593-Q595 VanDerWaalsContact O-N 3.1Å; E593-E596 HydrophobicContact CB-CG 4.18Å; E593-E596 PolarHBondContact O-N 3.48Å; E593-R597 PolarHBondContact O-N 2.94Å |
| 594 | Q | 84.5 | Confident | 83.9 | Confident | 91 Ų | 91 | 66.2 Ų | 66.2 | 43% | 0.425 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -55.9 | -34.8 | -174 | -173.5 | -176.1 | -5.6 | 0 | 0 | 112.7 | F544 E596 R597 | F544-Q594 HydrophobicContact CE1-CG 4.35Å; Q594-E596 VanDerWaalsContact C-N 3.25Å; Q594-E596 PolarHBondContact O-N 2.91Å; Q594-R597 PolarHBondContact O-N 3.44Å |
| 595 | Q | 86.1 | Confident | 84.3 | Confident | 192 Ų | 192 | 64.1 Ų | 64.1 | 90% | 0.897 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -70.1 | -20.9 | 179.8 | -64.2 | 158.4 | 4.8 | 0 | 0 | 113.2 | E593 | E593-Q595 PolarHBondContact O-N 3.22Å; E593-Q595 VanDerWaalsContact O-N 3.1Å |
| 596 | E | 86.8 | Confident | 84.6 | Confident | 106 Ų | 106 | 64.7 Ų | 64.7 | 50% | 0.495 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -96.8 | -5.8 | -177.9 | -55.6 | -177.5 | 142.1 | 0 | 0 | 112.3 | V575 P592 E593 Q594 | V575-E596 HydrophobicContact CG1-CB 4.26Å; V575-E596 VanDerWaalsContact CG1-OE2 3.3Å; V575-E596 WeakPolarHBondContact CG1-OE2 2.9Å; V575-E596 HydrophobicContact CG2-CB 3.77Å; V575-E596 WeakPolarHBondContact CG2-O 3.15Å; P592-E596 HydrophobicContact CB-CB 4.39Å; E593-E596 HydrophobicContact CB-CG 4.18Å; E593-E596 PolarHBondContact O-N 3.48Å; Q594-E596 VanDerWaalsContact C-N 3.25Å; Q594-E596 PolarHBondContact O-N 2.91Å |
| 597 | R | 87.2 | Confident | 84.7 | Confident | 10 Ų | 10 | 63.8 Ų | 63.8 | 4% | 0.038 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -81.2 | 137.8 | 178.2 | -62.1 | 172.2 | -164.8 | 172.7 | 1.8 | 110.4 | F544 Q546 P592 E593 Q594 F629 | F544-R597 HydrophobicContact CD2-CB 4.36Å; F544-R597 HydrophobicContact CE2-CB 3.77Å; F544-R597 HydrophobicContact CZ-CB 4.41Å; F544-R597 PolarHBondContact O-NH1 3.34Å; Q546-R597 PolarHBondContact O-NH1 3.37Å; Q546-R597 PolarHBondContact O-NH2 2.95Å; P592-R597 HydrophobicContact CB-CG 4.23Å; P592-R597 VanDerWaalsContact O-CZ 3.3Å; P592-R597 PolarHBondContact O-NE 3.12Å; P592-R597 PolarHBondContact O-NH2 3.44Å; E593-R597 PolarHBondContact O-N 2.94Å; Q594-R597 PolarHBondContact O-N 3.44Å; R597-F629 HydrophobicContact CG-CE1 4.15Å; R597-F629 HydrophobicContact CG-CE2 4.44Å; R597-F629 HydrophobicContact CG-CZ 3.97Å |
| 598 | P | 83.1 | Confident | 84.7 | Confident | 56 Ų | 56 | 66.7 Ų | 66.7 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 138.1 | 176.1 | 23.5 | -27.4 | 0 | 0 | 0 | 111.5 | F544 V607 V609 | F544-P598 WeakPolarHBondContact CE2-O 3.47Å; P598-V607 HydrophobicContact CB-CG2 4.5Å; P598-V607 HydrophobicContact CG-CG2 4.49Å; P598-V607 WeakPolarHBondContact O-CG1 3.27Å; P598-V609 HydrophobicContact CG-CG1 3.21Å |
| 599 | N | 81 | Confident | 84.6 | Confident | 123 Ų | 123 | 66 Ų | 66 | 66% | 0.658 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 151.5 | 178.9 | -67.1 | -32 | 0 | 0 | 0 | 112.1 | F544 | F544-N599 WeakPolarHBondContact CZ-OD1 3.41Š|
| 600 | V | 78.7 | Confident | 84.5 | Confident | 28 Ų | 28 | 68.9 Ų | 68.9 | 17% | 0.17 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 131.3 | 171.3 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | H604 V607 D631 | V600-H604 WeakPolarHBondContact CG1-O 3.13Å; V600-V607 HydrophobicContact CG2-CB 4.45Å; V600-V607 HydrophobicContact CG2-CG1 4.14Å; V600-D631 HydrophobicContact CG2-CB 3.95Å |
| 601 | V | 78.6 | Confident | 84.5 | Confident | 96 Ų | 96 | 65.3 Ų | 65.3 | 58% | 0.582 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -74 | 144.6 | -175 | -175.3 | 0 | 0 | 0 | 0 | 110.9 | G603 H604 | V601-G603 PolarHBondContact O-N 2.99Å; V601-H604 PolarHBondContact O-N 3.37Å |
| 602 | A | 67.9 | Low | 84.5 | Confident | 100 Ų | 100 | 68.3 Ų | 68.3 | 83% | 0.826 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 125 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 603 | G | 69.7 | Low | 84.4 | Confident | 72 Ų | 72 | 68.2 Ų | 68.2 | 74% | 0.742 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.8 | 3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | V601 | V601-G603 PolarHBondContact O-N 2.99Š|
| 604 | H | 80.9 | Confident | 84.3 | Confident | 110 Ų | 110 | 66.7 Ų | 66.7 | 51% | 0.509 | 37% | 0.374 | S | S | . | . | trans | -122.7 | 152.8 | 170.7 | -66.1 | 17.2 | 0 | 0 | 0 | 109.1 | V600 V601 | V600-H604 WeakPolarHBondContact CG1-O 3.13Å; V601-H604 PolarHBondContact O-N 3.37Å | ||
| 605 | D | 84.1 | Confident | 84.2 | Confident | 32 Ų | 32 | 62.4 Ų | 62.4 | 17% | 0.171 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -103.3 | -0.2 | 179.4 | 59.6 | -19.9 | 0 | 0 | 0 | 113 | Y630 D631 V634 H635 W646 | D605-Y630 WeakPolarHBondContact O-CA 3.4Å; D605-D631 PolarHBondContact O-N 3.23Å; D605-V634 HydrophobicContact CB-CB 4.48Å; D605-H635 IonicContact OD2-CE1 2.71Å; D605-H635 IonicContact OD2-NE2 3.48Å; D605-H635 PolarHBondContact OD2-NE2 3.4Å; D605-W646 VanDerWaalsContact OD2-CD1 3.26Å; D605-W646 PolarHBondContact OD2-NE1 3.36Å |
| 606 | F | 89.8 | Confident | 83.9 | Confident | 78 Ų | 78 | 56 Ų | 56 | 34% | 0.342 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 161 | 175.9 | 73 | -82.4 | 0 | 0 | 0 | 112.8 | I628 F629 W646 | F606-I628 HydrophobicContact CB-CG2 3.95Å; F606-I628 HydrophobicContact CD2-CG2 4.09Å; F606-I628 HydrophobicContact CG-CG2 4.37Å; F606-F629 CarbonylContact C-O 3.58Å; F606-F629 VanDerWaalsContact CA-O 3.29Å; F606-F629 WeakPolarHBondContact CA-O 3.24Å; F606-W646 HydrophobicContact CB-CH2 4.11Å; F606-W646 HydrophobicContact CB-CZ2 3.52Å; F606-W646 AromaticContact CD1-CZ2 3.65Å; F606-W646 HydrophobicContact CD1-CZ2 3.65Å; F606-W646 HydrophobicContact CG-CH2 4.23Å; F606-W646 AromaticContact CG-CZ2 3.65Å; F606-W646 HydrophobicContact CG-CZ2 3.65Å |
| 607 | V | 89.2 | Confident | 83.4 | Confident | 24 Ų | 24 | 56 Ų | 56 | 15% | 0.145 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 132 | 167.5 | 63.7 | 0 | 0 | 0 | 0 | 109.7 | P598 V600 F629 | P598-V607 HydrophobicContact CB-CG2 4.5Å; P598-V607 HydrophobicContact CG-CG2 4.49Å; P598-V607 WeakPolarHBondContact O-CG1 3.27Å; V600-V607 HydrophobicContact CG2-CB 4.45Å; V600-V607 HydrophobicContact CG2-CG1 4.14Å; V607-F629 HydrophobicContact CG1-CB 3.78Å; V607-F629 HydrophobicContact CG1-CD2 4.4Å; V607-F629 PolarHBondContact N-O 3.34Å; V607-F629 PolarHBondContact O-N 3.46Å |
| 608 | S | 88.9 | Confident | 83 | Confident | 61 Ų | 61 | 56.6 Ų | 56.6 | 43% | 0.427 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 124 | 177.4 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | ||
| 609 | V | 89.6 | Confident | 82.9 | Confident | 6 Ų | 6 | 55.5 Ų | 55.5 | 4% | 0.036 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 142 | 177.7 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | P598 L611 F627 F629 | P598-V609 HydrophobicContact CG-CG1 3.21Å; V609-L611 PolarHBondContact O-N 2.92Å; V609-F627 HydrophobicContact CG2-CB 3.95Å; V609-F627 HydrophobicContact CG2-CD1 4.09Å; V609-F627 VanDerWaalsContact CG2-O 3.29Å; V609-F627 WeakPolarHBondContact CG2-O 3.19Å; V609-F627 PolarHBondContact N-O 2.68Å; V609-F627 PolarHBondContact O-N 3.35Å; V609-F629 HydrophobicContact CB-CE2 4.49Å; V609-F629 HydrophobicContact CG1-CD2 4Å; V609-F629 HydrophobicContact CG1-CE2 4.05Å; V609-F629 HydrophobicContact CG2-CD2 4.01Å; V609-F629 HydrophobicContact CG2-CE2 3.6Å |
| 610 | P | 89.4 | Confident | 82.9 | Confident | 61 Ų | 61 | 53.9 Ų | 53.9 | 40% | 0.396 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 121.5 | 173.7 | 28.9 | -31.5 | 0 | 0 | 0 | 110.1 | G573 | G573-P610 PolarHBondContact N-O 3.04Å |
| 611 | L | 90.9 | Very high | 83.2 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 122.5 | 171.3 | 175.4 | 59.3 | 0 | 0 | 0 | 109.4 | V537 V552 V554 C570 L571 F572 V609 G624 S625 F627 | V537-L611 HydrophobicContact CG1-CD2 3.76Å; V537-L611 HydrophobicContact CG2-CD2 4.18Å; V552-L611 HydrophobicContact CG1-CD2 4.43Å; V554-L611 HydrophobicContact CG2-CD2 3.9Å; C570-L611 HydrophobicContact CB-CD1 4.22Å; L571-L611 CarbonylContact O-C 3.58Å; L571-L611 VanDerWaalsContact O-CA 3.27Å; L571-L611 WeakPolarHBondContact O-CA 3.45Å; F572-L611 HydrophobicContact CD1-CD1 3.88Å; F572-L611 HydrophobicContact CD2-CD1 4.03Å; F572-L611 HydrophobicContact CE1-CD1 3.72Å; F572-L611 HydrophobicContact CE1-CD2 4.35Å; F572-L611 HydrophobicContact CE2-CD1 3.88Å; F572-L611 HydrophobicContact CG-CD1 4.03Å; F572-L611 HydrophobicContact CZ-CD1 3.72Å; V609-L611 PolarHBondContact O-N 2.92Å; L611-G624 CarbonylContact O-C 3.47Å; L611-G624 WeakPolarHBondContact O-CA 3.43Å; L611-S625 PolarHBondContact N-O 3.28Å; L611-S625 PolarHBondContact O-N 2.71Å; L611-F627 HydrophobicContact CB-CB 4.05Å; L611-F627 HydrophobicContact CD2-CD2 4.41Å |
| 612 | K | 88.8 | Confident | 83.3 | Confident | 68 Ų | 68 | 50.6 Ų | 50.6 | 30% | 0.296 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 143 | -176.1 | -60.3 | 173.4 | 175.4 | -174 | 0 | 111.9 | C570 L571 M621 V623 | C570-K612 CarbonylContact C-O 3.43Å; C570-K612 WeakPolarHBondContact CA-O 3.45Å; L571-K612 HydrophobicContact CB-CB 4.36Å; L571-K612 PolarHBondContact N-O 3.39Å; L571-K612 PolarHBondContact O-N 3.01Å; K612-M621 HydrophobicContact CD-CB 4.38Å; K612-M621 HydrophobicContact CD-CE 3.78Å; K612-M621 HydrophobicContact CD-SD 3.63Å; K612-M621 HydrophobicContact CG-CE 4.05Å; K612-M621 PolarHBondContact NZ-SD 3.18Å; K612-M621 VanDerWaalsContact NZ-SD 3.38Å; K612-V623 CarbonylContact C-O 3.54Å; K612-V623 WeakPolarHBondContact CA-O 3.41Å |
| 613 | I | 88.6 | Confident | 84.2 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 126.7 | 166.3 | -58.5 | -176.7 | 0 | 0 | 0 | 108.6 | V554 A556 Y568 K569 F587 V622 V623 | V554-I613 HydrophobicContact CG1-CD1 3.9Å; V554-I613 HydrophobicContact CG1-CG1 4.38Å; A556-I613 HydrophobicContact CB-CD1 3.91Å; Y568-I613 HydrophobicContact CD1-CG2 3.76Å; Y568-I613 HydrophobicContact CG-CG2 4.37Å; K569-I613 CarbonylContact O-C 3.41Å; K569-I613 WeakPolarHBondContact O-CA 3.48Å; F587-I613 HydrophobicContact CB-CD1 4.49Å; F587-I613 HydrophobicContact CD2-CD1 3.83Å; F587-I613 HydrophobicContact CE2-CD1 4.23Å; F587-I613 HydrophobicContact CG-CD1 4.08Å; I613-V622 PolarHBondContact O-N 3.27Å; I613-V623 HydrophobicContact CB-CG1 3.97Å; I613-V623 HydrophobicContact CD1-CG1 3.88Å; I613-V623 HydrophobicContact CG1-CG1 4.06Å; I613-V623 PolarHBondContact N-O 3.31Å |
| 614 | W | 86.4 | Confident | 85 | Confident | 82 Ų | 82 | 44.9 Ų | 44.9 | 31% | 0.311 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 135.4 | -176.9 | -177.6 | -79.9 | 0 | 0 | 0 | 111.5 | Y568 K569 L571 G619 M621 | Y568-W614 CarbonylContact C-O 3.57Å; Y568-W614 WeakPolarHBondContact CA-O 3.28Å; K569-W614 HydrophobicContact CB-CB 4.34Å; K569-W614 PolarHBondContact N-O 2.98Å; K569-W614 PolarHBondContact O-N 3.29Å; L571-W614 HydrophobicContact CD1-CB 3.31Å; L571-W614 HydrophobicContact CD1-CD2 3.96Å; L571-W614 HydrophobicContact CD1-CE3 3.85Å; L571-W614 HydrophobicContact CD1-CG 3.79Å; W614-G619 WeakPolarHBondContact CH2-O 3.37Å; W614-G619 WeakPolarHBondContact CZ2-O 3.42Å; W614-M621 HydrophobicContact CE3-CB 3.9Å; W614-M621 VanDerWaalsContact CE3-N 3.32Å; W614-M621 HydrophobicContact CZ3-CB 4.23Å |
| 615 | S | 82.7 | Confident | 85.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 123.7 | 175.2 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | R617 S618 G619 Q620 | S615-R617 PolarHBondContact O-N 3Å; S615-R617 PolarHBondContact OG-N 3.35Å; S615-S618 WeakPolarHBondContact CB-OG 3.27Å; S615-G619 PolarHBondContact O-N 3.29Å; S615-G619 VanDerWaalsContact O-N 3.09Å; S615-Q620 PolarHBondContact N-O 2.92Å; S615-Q620 VanDerWaalsContact N-O 3.09Å |
| 616 | S | 79.4 | Confident | 85.5 | Confident | 57 Ų | 57 | 44.4 Ų | 44.4 | 40% | 0.399 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -27.4 | 174.2 | 52.1 | 0 | 0 | 0 | 0 | 113.3 | A567 | A567-S616 PolarHBondContact N-OG 3.47Å; A567-S616 VanDerWaalsContact O-CB 3.22Å; A567-S616 WeakPolarHBondContact O-CB 3.23Å; A567-S616 PolarHBondContact O-N 3.41Å; A567-S616 PolarHBondContact O-OG 3.12Å |
| 617 | R | 76.9 | Confident | 85.6 | Confident | 108 Ų | 108 | 40.7 Ų | 40.7 | 41% | 0.408 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -44.1 | -177.5 | -174.9 | 179.1 | -179.5 | -166.5 | -6 | 113.1 | E519 E566 S615 | E519-R617 IonicContact OE1-CZ 3Å; E519-R617 IonicContact OE1-NH1 2.75Å; E519-R617 PolarHBondContact OE1-NH1 2.85Å; E519-R617 IonicContact OE1-NH2 2.75Å; E519-R617 PolarHBondContact OE1-NH2 3.34Å; E519-R617 IonicContact OE2-NH1 2.63Å; E566-R617 HydrophobicContact CG-CB 4.23Å; E566-R617 WeakPolarHBondContact OE1-CD 3.42Å; E566-R617 IonicContact OE1-CZ 3.32Å; E566-R617 IonicContact OE1-NE 3.17Å; E566-R617 IonicContact OE1-NH1 3.59Å; E566-R617 PolarHBondContact OE1-NH1 2.89Å; S615-R617 PolarHBondContact O-N 3Å; S615-R617 PolarHBondContact OG-N 3.35Å |
| 618 | S | 77.9 | Confident | 85.6 | Confident | 22 Ų | 22 | 41.5 Ų | 41.5 | 15% | 0.154 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -16.6 | -179.9 | 63.5 | 0 | 0 | 0 | 0 | 113.4 | L504 S615 Q620 | L504-S618 WeakPolarHBondContact O-CB 3.3Å; L504-S618 PolarHBondContact O-OG 2.8Å; S615-S618 WeakPolarHBondContact CB-OG 3.27Å; S618-Q620 PolarHBondContact O-N 3.02Å; S618-Q620 PolarHBondContact OG-N 2.93Å |
| 619 | G | 80.9 | Confident | 85.7 | Confident | 33 Ų | 33 | 38.6 Ų | 38.6 | 34% | 0.34 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 29.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | W614 S615 | W614-G619 WeakPolarHBondContact CH2-O 3.37Å; W614-G619 WeakPolarHBondContact CZ2-O 3.42Å; S615-G619 PolarHBondContact O-N 3.29Å; S615-G619 VanDerWaalsContact O-N 3.09Å |
| 620 | Q | 82.1 | Confident | 85.7 | Confident | 89 Ų | 89 | 40 Ų | 40 | 42% | 0.416 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 156 | -178.2 | -66.7 | -65.6 | -25.4 | 0 | 0 | 111.2 | N506 S615 S618 | N506-Q620 HydrophobicContact CB-CB 4.35Å; S615-Q620 PolarHBondContact N-O 2.92Å; S615-Q620 VanDerWaalsContact N-O 3.09Å; S618-Q620 PolarHBondContact O-N 3.02Å; S618-Q620 PolarHBondContact OG-N 2.93Å |
| 621 | M | 83.9 | Confident | 85.5 | Confident | 48 Ų | 48 | 38.3 Ų | 38.3 | 24% | 0.236 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 139.2 | 168.5 | 59.6 | 171.6 | -72.7 | 0 | 0 | 110.1 | N506 K612 W614 | N506-M621 WeakPolarHBondContact CB-O 3.31Å; N506-M621 PolarHBondContact ND2-O 2.76Å; K612-M621 HydrophobicContact CD-CB 4.38Å; K612-M621 HydrophobicContact CD-CE 3.78Å; K612-M621 HydrophobicContact CD-SD 3.63Å; K612-M621 HydrophobicContact CG-CE 4.05Å; K612-M621 PolarHBondContact NZ-SD 3.18Å; K612-M621 VanDerWaalsContact NZ-SD 3.38Å; W614-M621 HydrophobicContact CE3-CB 3.9Å; W614-M621 VanDerWaalsContact CE3-N 3.32Å; W614-M621 HydrophobicContact CZ3-CB 4.23Å |
| 622 | V | 81.8 | Confident | 85.3 | Confident | 7 Ų | 7 | 38.5 Ų | 38.5 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | -40.9 | -177.2 | -170.3 | 0 | 0 | 0 | 0 | 112.1 | T503 L504 L559 I613 | T503-V622 HydrophobicContact CG2-CG1 4.35Å; L504-V622 HydrophobicContact CD2-CG2 4.44Å; L559-V622 HydrophobicContact CD2-CB 4.22Å; L559-V622 HydrophobicContact CD2-CG1 3.33Å; I613-V622 PolarHBondContact O-N 3.27Å |
| 623 | V | 85.7 | Confident | 84.9 | Confident | 12 Ų | 12 | 37.1 Ų | 37.1 | 7% | 0.073 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 158 | 178.5 | 69.3 | 0 | 0 | 0 | 0 | 110.1 | P532 V534 A556 K612 I613 | P532-V623 HydrophobicContact CB-CB 4.37Å; P532-V623 HydrophobicContact CB-CG2 4.48Å; V534-V623 HydrophobicContact CG2-CB 4.38Å; V534-V623 HydrophobicContact CG2-CG1 3.89Å; V534-V623 HydrophobicContact CG2-CG2 3.67Å; A556-V623 HydrophobicContact CB-CG1 4.25Å; K612-V623 CarbonylContact C-O 3.54Å; K612-V623 WeakPolarHBondContact CA-O 3.41Å; I613-V623 HydrophobicContact CB-CG1 3.97Å; I613-V623 HydrophobicContact CD1-CG1 3.88Å; I613-V623 HydrophobicContact CG1-CG1 4.06Å; I613-V623 PolarHBondContact N-O 3.31Å |
| 624 | G | 86.6 | Confident | 84.6 | Confident | 40 Ų | 40 | 39.6 Ų | 39.6 | 41% | 0.412 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 164.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.6 | L611 | L611-G624 CarbonylContact O-C 3.47Å; L611-G624 WeakPolarHBondContact O-CA 3.43Å |
| 625 | S | 88.5 | Confident | 84.4 | Confident | 44 Ų | 44 | 36.8 Ų | 36.8 | 31% | 0.308 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | -178.9 | 178.6 | -170.4 | 0 | 0 | 0 | 0 | 109.8 | L611 | L611-S625 PolarHBondContact N-O 3.28Å; L611-S625 PolarHBondContact O-N 2.71Å |
| 626 | T | 88.2 | Confident | 84.2 | Confident | 88 Ų | 88 | 43.6 Ų | 43.6 | 54% | 0.54 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 137.1 | 174.1 | 52.5 | 0 | 0 | 0 | 0 | 110.6 | ||
| 627 | F | 91.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 138.6 | 176.2 | -173.6 | -87 | 0 | 0 | 0 | 109.1 | V537 P539 I542 V552 F572 L591 V609 L611 F629 | V537-F627 HydrophobicContact CG1-CD2 4.03Å; V537-F627 HydrophobicContact CG1-CE2 4.47Å; P539-F627 VanDerWaalsContact O-CE2 3.25Å; P539-F627 WeakPolarHBondContact O-CE2 3.36Å; I542-F627 HydrophobicContact CB-CZ 4.19Å; I542-F627 HydrophobicContact CG2-CE1 3.77Å; I542-F627 HydrophobicContact CG2-CZ 3.8Å; V552-F627 HydrophobicContact CG1-CD2 4.4Å; V552-F627 HydrophobicContact CG1-CE2 3.98Å; V552-F627 HydrophobicContact CG2-CE2 3.97Å; V552-F627 HydrophobicContact CG2-CZ 4.22Å; F572-F627 HydrophobicContact CD1-CD1 4.12Å; F572-F627 HydrophobicContact CD1-CG 4.24Å; F572-F627 HydrophobicContact CE1-CD1 4.12Å; F572-F627 HydrophobicContact CE1-CD2 4.11Å; F572-F627 HydrophobicContact CE1-CE1 4.29Å; F572-F627 HydrophobicContact CE1-CE2 4.26Å; F572-F627 HydrophobicContact CE1-CG 4.04Å; F572-F627 HydrophobicContact CE1-CZ 4.37Å; L591-F627 HydrophobicContact CD2-CE1 3.89Å; L591-F627 HydrophobicContact CD2-CZ 3.63Å; V609-F627 HydrophobicContact CG2-CB 3.95Å; V609-F627 HydrophobicContact CG2-CD1 4.09Å; V609-F627 VanDerWaalsContact CG2-O 3.29Å; V609-F627 WeakPolarHBondContact CG2-O 3.19Å; V609-F627 PolarHBondContact N-O 2.68Å; V609-F627 PolarHBondContact O-N 3.35Å; L611-F627 HydrophobicContact CB-CB 4.05Å; L611-F627 HydrophobicContact CD2-CD2 4.41Å; F627-F629 HydrophobicContact CD1-CE1 4.28Å; F627-F629 HydrophobicContact CD1-CE2 4.09Å; F627-F629 AromaticContact CD1-CZ 3.95Å; F627-F629 HydrophobicContact CD1-CZ 3.95Å; F627-F629 HydrophobicContact CE1-CD1 4.16Å; F627-F629 AromaticContact CE1-CE1 3.65Å; F627-F629 HydrophobicContact CE1-CE1 3.65Å; F627-F629 HydrophobicContact CE1-CE2 4.28Å; F627-F629 AromaticContact CE1-CZ 3.72Å; F627-F629 HydrophobicContact CE1-CZ 3.72Å |
| 628 | I | 90.1 | Very high | 84.4 | Confident | 40 Ų | 40 | 37.1 Ų | 37.1 | 21% | 0.205 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 131.4 | -170.1 | -59.9 | 174 | 0 | 0 | 0 | 111.3 | A540 N541 I542 F606 W646 | A540-I628 PolarHBondContact O-N 3.27Å; A540-I628 VanDerWaalsContact O-N 3.12Å; N541-I628 CarbonylContact C-O 3.38Å; N541-I628 WeakPolarHBondContact CA-O 3.13Å; N541-I628 HydrophobicContact CB-CB 4.01Å; I542-I628 PolarHBondContact N-O 3.15Å; F606-I628 HydrophobicContact CB-CG2 3.95Å; F606-I628 HydrophobicContact CD2-CG2 4.09Å; F606-I628 HydrophobicContact CG-CG2 4.37Å; I628-W646 HydrophobicContact CD1-CH2 4.45Å; I628-W646 HydrophobicContact CG2-CH2 3.83Å; I628-W646 HydrophobicContact CG2-CZ3 4.15Å |
| 629 | F | 90.1 | Very high | 84.4 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 128.9 | 164.3 | -62 | -74.5 | 0 | 0 | 0 | 109.8 | I542 F544 L591 R597 F606 V607 V609 F627 | I542-F629 HydrophobicContact CG2-CD1 3.68Å; I542-F629 HydrophobicContact CG2-CE1 3.75Å; I542-F629 VanDerWaalsContact O-CA 3.28Å; I542-F629 WeakPolarHBondContact O-CA 3.21Å; F544-F629 HydrophobicContact CD2-CB 4.43Å; L591-F629 HydrophobicContact CD2-CE1 4.41Å; R597-F629 HydrophobicContact CG-CE1 4.15Å; R597-F629 HydrophobicContact CG-CE2 4.44Å; R597-F629 HydrophobicContact CG-CZ 3.97Å; F606-F629 CarbonylContact C-O 3.58Å; F606-F629 VanDerWaalsContact CA-O 3.29Å; F606-F629 WeakPolarHBondContact CA-O 3.24Å; V607-F629 HydrophobicContact CG1-CB 3.78Å; V607-F629 HydrophobicContact CG1-CD2 4.4Å; V607-F629 PolarHBondContact N-O 3.34Å; V607-F629 PolarHBondContact O-N 3.46Å; V609-F629 HydrophobicContact CB-CE2 4.49Å; V609-F629 HydrophobicContact CG1-CD2 4Å; V609-F629 HydrophobicContact CG1-CE2 4.05Å; V609-F629 HydrophobicContact CG2-CD2 4.01Å; V609-F629 HydrophobicContact CG2-CE2 3.6Å; F627-F629 HydrophobicContact CD1-CE1 4.28Å; F627-F629 HydrophobicContact CD1-CE2 4.09Å; F627-F629 AromaticContact CD1-CZ 3.95Å; F627-F629 HydrophobicContact CD1-CZ 3.95Å; F627-F629 HydrophobicContact CE1-CD1 4.16Å; F627-F629 AromaticContact CE1-CE1 3.65Å; F627-F629 HydrophobicContact CE1-CE1 3.65Å; F627-F629 HydrophobicContact CE1-CE2 4.28Å; F627-F629 AromaticContact CE1-CZ 3.72Å; F627-F629 HydrophobicContact CE1-CZ 3.72Å |
| 630 | Y | 88.9 | Confident | 84.4 | Confident | 35 Ų | 35 | 40 Ų | 40 | 14% | 0.137 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 152.3 | 179.1 | 67.1 | -93.2 | 0 | 0 | 0 | 113.2 | I542 S543 F544 D605 W646 | I542-Y630 VanDerWaalsContact C-CD1 3.43Å; I542-Y630 WeakPolarHBondContact O-CD1 3.33Å; I542-Y630 PolarHBondContact O-N 2.99Å; I542-Y630 VanDerWaalsContact O-N 3.08Å; S543-Y630 VanDerWaalsContact N-CE1 3.28Å; F544-Y630 PolarHBondContact N-O 2.86Å; D605-Y630 WeakPolarHBondContact O-CA 3.4Å; Y630-W646 HydrophobicContact CD1-CD2 4.22Å; Y630-W646 AromaticContact CD1-CE3 3.73Å; Y630-W646 HydrophobicContact CD1-CE3 3.73Å; Y630-W646 HydrophobicContact CD1-CZ3 4.3Å; Y630-W646 HydrophobicContact CD2-CB 3.57Å; Y630-W646 HydrophobicContact CD2-CD2 4.19Å; Y630-W646 HydrophobicContact CD2-CE3 4.46Å; Y630-W646 AromaticContact CD2-CG 3.77Å; Y630-W646 HydrophobicContact CD2-CG 3.77Å; Y630-W646 HydrophobicContact CE1-CE3 4.42Å; Y630-W646 HydrophobicContact CE2-CB 3.86Å; Y630-W646 HydrophobicContact CG-CB 4.05Å; Y630-W646 AromaticContact CG-CD2 3.74Å; Y630-W646 HydrophobicContact CG-CD2 3.74Å; Y630-W646 AromaticContact CG-CE3 3.76Å; Y630-W646 HydrophobicContact CG-CE3 3.76Å; Y630-W646 AromaticContact CG-CG 3.83Å; Y630-W646 HydrophobicContact CG-CG 3.83Å |
| 631 | D | 86.9 | Confident | 84.5 | Confident | 26 Ų | 26 | 35.8 Ų | 35.8 | 14% | 0.139 | 20% | 0.204 | C | C | . | . | trans | -134.4 | 112.4 | 178.7 | -171 | -2.7 | 0 | 0 | 0 | 112.1 | Y545 V600 D605 A633 V634 | Y545-D631 PolarHBondContact OH-OD2 3.06Å; V600-D631 HydrophobicContact CG2-CB 3.95Å; D605-D631 PolarHBondContact O-N 3.23Å; D631-A633 VanDerWaalsContact C-N 3.29Å; D631-A633 PolarHBondContact O-N 2.87Å; D631-A633 WeakPolarHBondContact OD1-CB 3.19Å; D631-A633 PolarHBondContact OD1-N 2.89Å; D631-V634 HydrophobicContact CB-CG2 4.44Å | ||
| 632 | C | 85 | Confident | 84.2 | Confident | 6 Ų | 6 | 35.1 Ų | 35.1 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -67.8 | -24.5 | 178.4 | -70.4 | 0 | 0 | 0 | 0 | 113.6 | V634 H635 C648 C657 | C632-V634 PolarHBondContact O-N 3.43Å; C632-H635 PolarHBondContact O-N 3.49Å; C632-C648 VanDerWaalsContact CA-SG 3.52Å; C632-C648 HydrophobicContact CB-CB 3.64Å; C632-C648 WeakPolarHBondContact CB-SG 3.49Å; C632-C648 WeakPolarHBondContact SG-CB 3.01Å; C632-C648 CovalentContact SG-SG 2.03Å; C632-C648 PolarHBondContact SG-SG 3.37Å; C632-C657 VanDerWaalsContact O-CB 3.28Å; C632-C657 WeakPolarHBondContact O-CB 3.33Å; C632-C657 PolarHBondContact O-SG 2.88Å |
| 633 | A | 81.6 | Confident | 84.1 | Confident | 39 Ų | 39 | 42 Ų | 42 | 32% | 0.322 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -68 | -9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | D631 K636 C657 | D631-A633 VanDerWaalsContact C-N 3.29Å; D631-A633 PolarHBondContact O-N 2.87Å; D631-A633 WeakPolarHBondContact OD1-CB 3.19Å; D631-A633 PolarHBondContact OD1-N 2.89Å; A633-K636 PolarHBondContact O-NZ 3.22Å; A633-C657 WeakPolarHBondContact CA-O 3.27Å |
| 634 | V | 82.7 | Confident | 83.8 | Confident | 54 Ų | 54 | 42.1 Ų | 42.1 | 33% | 0.327 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -71.4 | -32.2 | 179.8 | -179.4 | 0 | 0 | 0 | 0 | 112.2 | D605 D631 C632 | D605-V634 HydrophobicContact CB-CB 4.48Å; D631-V634 HydrophobicContact CB-CG2 4.44Å; C632-V634 PolarHBondContact O-N 3.43Å |
| 635 | H | 82 | Confident | 83.7 | Confident | 24 Ų | 24 | 48.7 Ų | 48.7 | 11% | 0.111 | 25% | 0.252 | C | S | . | . | trans | -74.5 | 127.7 | -177.1 | -55.6 | -64.2 | 0 | 0 | 0 | 111.5 | D605 C632 Q640 C641 S644 C657 | D605-H635 IonicContact OD2-CE1 2.71Å; D605-H635 IonicContact OD2-NE2 3.48Å; D605-H635 PolarHBondContact OD2-NE2 3.4Å; C632-H635 PolarHBondContact O-N 3.49Å; H635-Q640 HydrophobicContact CB-CB 4.23Å; H635-C641 HydrophobicContact CB-CB 4.01Å; H635-S644 WeakPolarHBondContact NE2-CB 3.47Å; H635-S644 PolarHBondContact NE2-OG 3.39Å; H635-C657 HydrophobicContact CB-CB 4Å; H635-C657 WeakPolarHBondContact O-CB 3.37Å | ||
| 636 | K | 77.4 | Confident | 83.5 | Confident | 143 Ų | 143 | 47.8 Ų | 47.8 | 62% | 0.622 | 24% | 0.242 | S | C | * | . | trans | -110.8 | -11.8 | -175.9 | -59.5 | -57.3 | 179.5 | -159.5 | 0 | 115 | A633 W650 | A633-K636 PolarHBondContact O-NZ 3.22Å; K636-W650 VanDerWaalsContact O-CH2 3.26Å; K636-W650 WeakPolarHBondContact O-CH2 3.44Å | ||
| 637 | L | 79.6 | Confident | 83.1 | Confident | 19 Ų | 19 | 54.2 Ų | 54.2 | 10% | 0.099 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -110.3 | 141.6 | 174.1 | -69.5 | 163.9 | 0 | 0 | 0 | 108.5 | T639 Q640 C641 M774 | L637-T639 VanDerWaalsContact C-N 3.28Å; L637-T639 PolarHBondContact O-N 3.39Å; L637-Q640 HydrophobicContact CB-CB 4.28Å; L637-Q640 HydrophobicContact CB-CG 3.98Å; L637-Q640 HydrophobicContact CD1-CG 4.37Å; L637-Q640 WeakPolarHBondContact O-CB 3.49Å; L637-Q640 PolarHBondContact O-N 3.15Å; L637-Q640 VanDerWaalsContact O-N 3.09Å; L637-C641 PolarHBondContact O-N 2.73Å; L637-C641 VanDerWaalsContact O-N 3.09Å; L637-M774 HydrophobicContact CD2-CB 4.18Å |
| 638 | C | 80.8 | Confident | 82.7 | Confident | 10 Ų | 10 | 54.4 Ų | 54.4 | 7% | 0.068 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -53.1 | -47.6 | 178.4 | -178.4 | 0 | 0 | 0 | 0 | 111.4 | Q640 C641 V642 W650 C682 | C638-Q640 VanDerWaalsContact C-N 3.3Å; C638-Q640 PolarHBondContact O-N 3.28Å; C638-C641 PolarHBondContact O-N 3.17Å; C638-C641 VanDerWaalsContact O-N 3.16Å; C638-V642 WeakPolarHBondContact O-CG2 3Å; C638-V642 PolarHBondContact O-N 3.27Å; C638-V642 VanDerWaalsContact O-N 3.15Å; C638-W650 HydrophobicContact CB-CD2 4.07Å; C638-W650 HydrophobicContact CB-CG 4.08Å; C638-C682 HydrophobicContact CB-CB 3.73Å; C638-C682 WeakPolarHBondContact CB-SG 3.43Å; C638-C682 VanDerWaalsContact SG-CA 3.5Å; C638-C682 WeakPolarHBondContact SG-CB 3.48Å; C638-C682 CovalentContact SG-SG 2.05Å; C638-C682 PolarHBondContact SG-SG 3.08Å |
| 639 | T | 77.7 | Confident | 82.1 | Confident | 32 Ų | 32 | 54.5 Ų | 54.5 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.2 | -40.9 | 179.3 | 49.2 | 0 | 0 | 0 | 0 | 112.4 | L637 Q643 C682 H684 | L637-T639 VanDerWaalsContact C-N 3.28Å; L637-T639 PolarHBondContact O-N 3.39Å; T639-Q643 WeakPolarHBondContact O-CB 3.48Å; T639-Q643 WeakPolarHBondContact O-CG 3.44Å; T639-Q643 PolarHBondContact O-N 2.78Å; T639-C682 HydrophobicContact CG2-CB 3.91Å; T639-H684 HydrophobicContact CG2-CB 4.27Å |
| 640 | Q | 80.8 | Confident | 81.5 | Confident | 84 Ų | 84 | 55.5 Ų | 55.5 | 39% | 0.393 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -68.6 | -36.7 | 178.3 | -67.3 | 178.1 | -17.2 | 0 | 0 | 113 | H635 L637 C638 S644 | H635-Q640 HydrophobicContact CB-CB 4.23Å; L637-Q640 HydrophobicContact CB-CB 4.28Å; L637-Q640 HydrophobicContact CB-CG 3.98Å; L637-Q640 HydrophobicContact CD1-CG 4.37Å; L637-Q640 WeakPolarHBondContact O-CB 3.49Å; L637-Q640 PolarHBondContact O-N 3.15Å; L637-Q640 VanDerWaalsContact O-N 3.09Å; C638-Q640 VanDerWaalsContact C-N 3.3Å; C638-Q640 PolarHBondContact O-N 3.28Å; Q640-S644 PolarHBondContact O-N 3.44Å |
| 641 | C | 84.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.1 | -53.9 | -179.5 | -179.6 | 0 | 0 | 0 | 0 | 111.7 | H635 L637 C638 Q643 S644 D649 W650 C657 | H635-C641 HydrophobicContact CB-CB 4.01Å; L637-C641 PolarHBondContact O-N 2.73Å; L637-C641 VanDerWaalsContact O-N 3.09Å; C638-C641 PolarHBondContact O-N 3.17Å; C638-C641 VanDerWaalsContact O-N 3.16Å; C641-Q643 VanDerWaalsContact C-N 3.3Å; C641-Q643 PolarHBondContact O-N 2.77Å; C641-S644 WeakPolarHBondContact O-CB 3.07Å; C641-S644 PolarHBondContact O-N 2.87Å; C641-S644 VanDerWaalsContact O-N 3.11Å; C641-D649 PolarHBondContact SG-O 2.95Å; C641-W650 HydrophobicContact CB-CB 4.28Å; C641-W650 HydrophobicContact CB-CD2 4.37Å; C641-W650 HydrophobicContact CB-CE3 3.55Å; C641-W650 HydrophobicContact CB-CZ3 4.28Å; C641-C657 VanDerWaalsContact CA-SG 3.54Å; C641-C657 HydrophobicContact CB-CB 3.65Å; C641-C657 WeakPolarHBondContact CB-SG 3.48Å; C641-C657 VanDerWaalsContact SG-CA 3.52Å; C641-C657 WeakPolarHBondContact SG-CB 3.24Å; C641-C657 CovalentContact SG-SG 2.02Å; C641-C657 PolarHBondContact SG-SG 2.71Å |
| 642 | V | 78.9 | Confident | 79.9 | Confident | 33 Ų | 33 | 55.7 Ų | 55.7 | 20% | 0.2 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -74.9 | -23 | -172.8 | -164.8 | 0 | 0 | 0 | 0 | 111.7 | C638 S644 W650 | C638-V642 WeakPolarHBondContact O-CG2 3Å; C638-V642 PolarHBondContact O-N 3.27Å; C638-V642 VanDerWaalsContact O-N 3.15Å; V642-S644 VanDerWaalsContact C-N 3.32Å; V642-W650 HydrophobicContact CG2-CB 4.03Å |
| 643 | Q | 79 | Confident | 79 | Confident | 153 Ų | 153 | 61.9 Ų | 61.9 | 72% | 0.715 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | 0.6 | 172.9 | -64.4 | 175.4 | -5.3 | 0 | 0 | 113.3 | T639 C641 | T639-Q643 WeakPolarHBondContact O-CB 3.48Å; T639-Q643 WeakPolarHBondContact O-CG 3.44Å; T639-Q643 PolarHBondContact O-N 2.78Å; C641-Q643 VanDerWaalsContact C-N 3.3Å; C641-Q643 PolarHBondContact O-N 2.77Å |
| 644 | S | 79.7 | Confident | 78.5 | Confident | 14 Ų | 14 | 63.2 Ų | 63.2 | 10% | 0.098 | 30% | 0.296 | C | S | . | . | trans | -64.4 | 142.8 | -179.4 | -175.9 | 0 | 0 | 0 | 0 | 112.4 | H635 Q640 C641 V642 W646 R647 | H635-S644 WeakPolarHBondContact NE2-CB 3.47Å; H635-S644 PolarHBondContact NE2-OG 3.39Å; Q640-S644 PolarHBondContact O-N 3.44Å; C641-S644 WeakPolarHBondContact O-CB 3.07Å; C641-S644 PolarHBondContact O-N 2.87Å; C641-S644 VanDerWaalsContact O-N 3.11Å; V642-S644 VanDerWaalsContact C-N 3.32Å; S644-W646 PolarHBondContact O-N 3Å; S644-W646 VanDerWaalsContact O-N 3.11Å; S644-W646 VanDerWaalsContact OG-CD1 3.23Å; S644-R647 PolarHBondContact O-N 3.32Å | ||
| 645 | K | 84.5 | Confident | 78 | Confident | 178 Ų | 178 | 62.8 Ų | 62.8 | 77% | 0.774 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -19.6 | 178.7 | -171.8 | 178.1 | 177.2 | -177.3 | 0 | 112.7 | ||
| 646 | W | 84.8 | Confident | 77.8 | Confident | 24 Ų | 24 | 64.6 Ų | 64.6 | 9% | 0.091 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 2.9 | -173.5 | -44.5 | 110.9 | 0 | 0 | 0 | 114.7 | N541 D605 F606 I628 Y630 S644 | N541-W646 HydrophobicContact CB-CZ3 4.44Å; D605-W646 VanDerWaalsContact OD2-CD1 3.26Å; D605-W646 PolarHBondContact OD2-NE1 3.36Å; F606-W646 HydrophobicContact CB-CH2 4.11Å; F606-W646 HydrophobicContact CB-CZ2 3.52Å; F606-W646 AromaticContact CD1-CZ2 3.65Å; F606-W646 HydrophobicContact CD1-CZ2 3.65Å; F606-W646 HydrophobicContact CG-CH2 4.23Å; F606-W646 AromaticContact CG-CZ2 3.65Å; F606-W646 HydrophobicContact CG-CZ2 3.65Å; I628-W646 HydrophobicContact CD1-CH2 4.45Å; I628-W646 HydrophobicContact CG2-CH2 3.83Å; I628-W646 HydrophobicContact CG2-CZ3 4.15Å; Y630-W646 HydrophobicContact CD1-CD2 4.22Å; Y630-W646 AromaticContact CD1-CE3 3.73Å; Y630-W646 HydrophobicContact CD1-CE3 3.73Å; Y630-W646 HydrophobicContact CD1-CZ3 4.3Å; Y630-W646 HydrophobicContact CD2-CB 3.57Å; Y630-W646 HydrophobicContact CD2-CD2 4.19Å; Y630-W646 HydrophobicContact CD2-CE3 4.46Å; Y630-W646 AromaticContact CD2-CG 3.77Å; Y630-W646 HydrophobicContact CD2-CG 3.77Å; Y630-W646 HydrophobicContact CE1-CE3 4.42Å; Y630-W646 HydrophobicContact CE2-CB 3.86Å; Y630-W646 HydrophobicContact CG-CB 4.05Å; Y630-W646 AromaticContact CG-CD2 3.74Å; Y630-W646 HydrophobicContact CG-CD2 3.74Å; Y630-W646 AromaticContact CG-CE3 3.76Å; Y630-W646 HydrophobicContact CG-CE3 3.76Å; Y630-W646 AromaticContact CG-CG 3.83Å; Y630-W646 HydrophobicContact CG-CG 3.83Å; S644-W646 PolarHBondContact O-N 3Å; S644-W646 VanDerWaalsContact O-N 3.11Å; S644-W646 VanDerWaalsContact OG-CD1 3.23Å |
| 647 | R | 78 | Confident | 78.1 | Confident | 224 Ų | 224 | 57.8 Ų | 57.8 | 85% | 0.845 | 28% | 0.279 | S | S | * | . | trans | 57.9 | 55.4 | -177.2 | -54.4 | 179.8 | -179 | 174.6 | -0.7 | 111.9 | S644 | S644-R647 PolarHBondContact O-N 3.32Š| ||
| 648 | C | 82.9 | Confident | 78.1 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 3% | 0.027 | 28% | 0.281 | C | S | . | . | trans | -84.8 | 156.5 | 175.4 | -53.6 | 0 | 0 | 0 | 0 | 111.2 | C632 C657 I658 | C632-C648 VanDerWaalsContact CA-SG 3.52Å; C632-C648 HydrophobicContact CB-CB 3.64Å; C632-C648 WeakPolarHBondContact CB-SG 3.49Å; C632-C648 WeakPolarHBondContact SG-CB 3.01Å; C632-C648 CovalentContact SG-SG 2.03Å; C632-C648 PolarHBondContact SG-SG 3.37Å; C648-C657 VanDerWaalsContact CB-SG 3.5Å; C648-I658 CarbonylContact C-O 3.52Å; C648-I658 WeakPolarHBondContact CA-O 3.06Å | ||
| 649 | D | 77.7 | Confident | 77.7 | Confident | 42 Ų | 42 | 62 Ų | 62 | 23% | 0.225 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 144.5 | 179.8 | -65.3 | -54.3 | 0 | 0 | 0 | 111.2 | C641 C657 I658 V661 | C641-D649 PolarHBondContact SG-O 2.95Å; D649-C657 CarbonylContact O-C 3.4Å; D649-C657 WeakPolarHBondContact O-CA 3.05Å; D649-I658 PolarHBondContact N-O 3.1Å; D649-I658 PolarHBondContact O-N 3.19Å; D649-V661 HydrophobicContact CB-CG2 4.48Å; D649-V661 VanDerWaalsContact OD2-CG2 3.27Å; D649-V661 WeakPolarHBondContact OD2-CG2 3.47Å |
| 650 | W | 77.4 | Confident | 77.2 | Confident | 21 Ų | 21 | 63.7 Ų | 63.7 | 8% | 0.08 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 124.6 | -179.6 | -176.9 | -96.7 | 0 | 0 | 0 | 112.1 | K636 C638 C641 V642 S655 C657 | K636-W650 VanDerWaalsContact O-CH2 3.26Å; K636-W650 WeakPolarHBondContact O-CH2 3.44Å; C638-W650 HydrophobicContact CB-CD2 4.07Å; C638-W650 HydrophobicContact CB-CG 4.08Å; C641-W650 HydrophobicContact CB-CB 4.28Å; C641-W650 HydrophobicContact CB-CD2 4.37Å; C641-W650 HydrophobicContact CB-CE3 3.55Å; C641-W650 HydrophobicContact CB-CZ3 4.28Å; V642-W650 HydrophobicContact CG2-CB 4.03Å; W650-S655 WeakPolarHBondContact CH2-O 3.02Å; W650-C657 HydrophobicContact CE3-CB 3.83Å; W650-C657 HydrophobicContact CZ3-CB 4.01Å |
| 651 | C | 75 | Confident | 76.2 | Confident | 6 Ų | 6 | 61.9 Ų | 61.9 | 4% | 0.041 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 112.7 | 171.5 | -56.5 | 0 | 0 | 0 | 0 | 110.2 | D654 S655 V656 I658 C664 | C651-D654 HydrophobicContact CB-CB 3.91Å; C651-S655 WeakPolarHBondContact O-CA 3.31Å; C651-S655 PolarHBondContact O-N 3.09Å; C651-V656 PolarHBondContact N-O 3.01Å; C651-I658 WeakPolarHBondContact SG-CD1 3.35Å; C651-C664 HydrophobicContact CB-CB 4.01Å; C651-C664 WeakPolarHBondContact CB-SG 3.46Å; C651-C664 VanDerWaalsContact SG-CA 3.57Å; C651-C664 WeakPolarHBondContact SG-CB 3.49Å; C651-C664 CovalentContact SG-SG 2.05Å; C651-C664 PolarHBondContact SG-SG 2.96Å |
| 652 | L | 68.4 | Low | 75.2 | Confident | 59 Ų | 59 | 68.1 Ų | 68.1 | 31% | 0.309 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -49.1 | -178.6 | -107.8 | 149.4 | 0 | 0 | 0 | 114 | L677 | L652-L677 HydrophobicContact CD1-CD1 3.27Å; L652-L677 HydrophobicContact CD1-CD2 3.7Å; L652-L677 HydrophobicContact CD1-CG 3.61Å; L652-L677 HydrophobicContact CD2-CD1 4.4Å; L652-L677 HydrophobicContact CG-CD1 3.45Å; L652-L677 VanDerWaalsContact CG-CD1 3.45Å; L652-L677 HydrophobicContact CG-CG 4.33Å |
| 653 | E | 66.6 | Low | 74.5 | Confident | 137 Ų | 137 | 71.5 Ų | 71.5 | 64% | 0.64 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -40.6 | -176.4 | -72.7 | -77.5 | 140.4 | 0 | 0 | 111.5 | T714 | E653-T714 PolarHBondContact OE1-OG1 2.96Š|
| 654 | D | 69.6 | Low | 73.9 | Confident | 66 Ų | 66 | 65.8 Ų | 65.8 | 35% | 0.353 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -19.1 | -177.5 | -63.5 | -40.1 | 0 | 0 | 0 | 112.7 | C651 V656 S665 | C651-D654 HydrophobicContact CB-CB 3.91Å; D654-V656 VanDerWaalsContact C-N 3.3Å; D654-V656 HydrophobicContact CB-CG2 4.16Å; D654-V656 WeakPolarHBondContact O-CG2 3.28Å; D654-V656 PolarHBondContact O-N 3.24Å; D654-S665 PolarHBondContact OD1-OG 3.44Å; D654-S665 WeakPolarHBondContact OD2-CB 3.45Å; D654-S665 PolarHBondContact OD2-N 3.44Å; D654-S665 PolarHBondContact OD2-OG 3.39Å |
| 655 | S | 73.3 | Confident | 72.8 | Confident | 45 Ų | 45 | 68.6 Ų | 68.6 | 32% | 0.315 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 41.1 | -172.5 | -57.6 | 0 | 0 | 0 | 0 | 113.2 | W650 C651 | W650-S655 WeakPolarHBondContact CH2-O 3.02Å; C651-S655 WeakPolarHBondContact O-CA 3.31Å; C651-S655 PolarHBondContact O-N 3.09Å |
| 656 | V | 77.6 | Confident | 71.3 | Confident | 62 Ų | 62 | 68 Ų | 68 | 38% | 0.376 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 143.8 | -178.3 | -172.3 | 0 | 0 | 0 | 0 | 111.2 | C651 D654 I658 | C651-V656 PolarHBondContact N-O 3.01Å; D654-V656 VanDerWaalsContact C-N 3.3Å; D654-V656 HydrophobicContact CB-CG2 4.16Å; D654-V656 WeakPolarHBondContact O-CG2 3.28Å; D654-V656 PolarHBondContact O-N 3.24Å; V656-I658 HydrophobicContact CG1-CG2 4.17Å |
| 657 | C | 82.8 | Confident | 69.4 | Low | 1 Ų | 1 | 71.5 Ų | 71.5 | 1% | 0.007 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 128.4 | 172.6 | -170 | 0 | 0 | 0 | 0 | 111.3 | C632 A633 H635 C641 C648 D649 W650 | C632-C657 VanDerWaalsContact O-CB 3.28Å; C632-C657 WeakPolarHBondContact O-CB 3.33Å; C632-C657 PolarHBondContact O-SG 2.88Å; A633-C657 WeakPolarHBondContact CA-O 3.27Å; H635-C657 HydrophobicContact CB-CB 4Å; H635-C657 WeakPolarHBondContact O-CB 3.37Å; C641-C657 VanDerWaalsContact CA-SG 3.54Å; C641-C657 HydrophobicContact CB-CB 3.65Å; C641-C657 WeakPolarHBondContact CB-SG 3.48Å; C641-C657 VanDerWaalsContact SG-CA 3.52Å; C641-C657 WeakPolarHBondContact SG-CB 3.24Å; C641-C657 CovalentContact SG-SG 2.02Å; C641-C657 PolarHBondContact SG-SG 2.71Å; C648-C657 VanDerWaalsContact CB-SG 3.5Å; D649-C657 CarbonylContact O-C 3.4Å; D649-C657 WeakPolarHBondContact O-CA 3.05Å; W650-C657 HydrophobicContact CE3-CB 3.83Å; W650-C657 HydrophobicContact CZ3-CB 4.01Å |
| 658 | I | 81.2 | Confident | 67.7 | Low | 29 Ų | 29 | 67 Ų | 67 | 15% | 0.149 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 170.5 | -175.2 | 61.4 | 168.8 | 0 | 0 | 0 | 112 | C648 D649 C651 V656 D660 V663 C664 | C648-I658 CarbonylContact C-O 3.52Å; C648-I658 WeakPolarHBondContact CA-O 3.06Å; D649-I658 PolarHBondContact N-O 3.1Å; D649-I658 PolarHBondContact O-N 3.19Å; C651-I658 WeakPolarHBondContact SG-CD1 3.35Å; V656-I658 HydrophobicContact CG1-CG2 4.17Å; I658-D660 WeakPolarHBondContact CD1-O 3.48Å; I658-V663 HydrophobicContact CD1-CB 4.06Å; I658-C664 VanDerWaalsContact CD1-SG 3.52Å |
| 659 | R | 72.4 | Confident | 65.6 | Low | 89 Ų | 89 | 75.7 Ų | 75.7 | 34% | 0.336 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -94.6 | -33.6 | 177.2 | -171.4 | -160.2 | 71.9 | 165.7 | -0.7 | 113.1 | ||
| 660 | D | 66.6 | Low | 63.7 | Low | 66 Ų | 66 | 80.7 Ų | 80.7 | 35% | 0.353 | 43% | 0.433 | S | S | . | . | trans | -121.3 | 115.2 | -166 | -130.4 | -38.6 | 0 | 0 | 0 | 109.4 | I658 D662 V663 | I658-D660 WeakPolarHBondContact CD1-O 3.48Å; D660-D662 PolarHBondContact O-N 3.39Å; D660-V663 HydrophobicContact CB-CG2 4.22Å; D660-V663 PolarHBondContact O-N 2.92Å; D660-V663 VanDerWaalsContact O-N 3.14Å | ||
| 661 | V | 59.7 | Low | 61.6 | Low | 47 Ų | 47 | 85.1 Ų | 85.1 | 29% | 0.285 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -55.8 | -26.4 | -175 | -177 | 0 | 0 | 0 | 0 | 112 | D649 V663 C664 Q667 A676 | D649-V661 HydrophobicContact CB-CG2 4.48Å; D649-V661 VanDerWaalsContact OD2-CG2 3.27Å; D649-V661 WeakPolarHBondContact OD2-CG2 3.47Å; V661-V663 PolarHBondContact O-N 3.03Å; V661-V663 VanDerWaalsContact O-N 3.07Å; V661-C664 PolarHBondContact O-N 3.22Å; V661-Q667 PolarHBondContact O-NE2 2.98Å; V661-A676 HydrophobicContact CG1-CB 4.15Å; V661-A676 HydrophobicContact CG2-CB 4.03Å |
| 662 | D | 63.5 | Low | 59.8 | Low | 131 Ų | 131 | 89 Ų | 89 | 70% | 0.701 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -66.4 | -5.4 | -178.8 | -64.4 | -14.3 | 0 | 0 | 0 | 114.3 | D660 | D660-D662 PolarHBondContact O-N 3.39Š|
| 663 | V | 64.7 | Low | 58.3 | Low | 103 Ų | 103 | 89 Ų | 89 | 62% | 0.624 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -105.6 | -8.3 | -175.1 | -169.7 | 0 | 0 | 0 | 0 | 113.9 | I658 D660 V661 | I658-V663 HydrophobicContact CD1-CB 4.06Å; D660-V663 HydrophobicContact CB-CG2 4.22Å; D660-V663 PolarHBondContact O-N 2.92Å; D660-V663 VanDerWaalsContact O-N 3.14Å; V661-V663 PolarHBondContact O-N 3.03Å; V661-V663 VanDerWaalsContact O-N 3.07Å |
| 664 | C | 65.5 | Low | 57.2 | Low | 33 Ų | 33 | 91.4 Ų | 91.4 | 22% | 0.223 | 54% | 0.54 | C | S | . | . | S | Bend | trans | -68.9 | 139.3 | 175.4 | -65.4 | 0 | 0 | 0 | 0 | 111.5 | C651 I658 V661 | C651-C664 HydrophobicContact CB-CB 4.01Å; C651-C664 WeakPolarHBondContact CB-SG 3.46Å; C651-C664 VanDerWaalsContact SG-CA 3.57Å; C651-C664 WeakPolarHBondContact SG-CB 3.49Å; C651-C664 CovalentContact SG-SG 2.05Å; C651-C664 PolarHBondContact SG-SG 2.96Å; I658-C664 VanDerWaalsContact CD1-SG 3.52Å; V661-C664 PolarHBondContact O-N 3.22Å |
| 665 | S | 57.6 | Low | 56.2 | Low | 74 Ų | 74 | 93.7 Ų | 93.7 | 52% | 0.517 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -67.3 | 134.9 | -178.9 | -50.7 | 0 | 0 | 0 | 0 | 111.9 | D654 | D654-S665 PolarHBondContact OD1-OG 3.44Å; D654-S665 WeakPolarHBondContact OD2-CB 3.45Å; D654-S665 PolarHBondContact OD2-N 3.44Å; D654-S665 PolarHBondContact OD2-OG 3.39Å |
| 666 | N | 52.8 | Low | 55.1 | Low | 166 Ų | 166 | 92.6 Ų | 92.6 | 89% | 0.888 | 55% | 0.55 | S | S | * | . | trans | 72 | 66.1 | 177.9 | -71.7 | -21.1 | 0 | 0 | 0 | 118.4 | ||||
| 667 | Q | 44.9 | Very low | 53.9 | Low | 97 Ų | 97 | 90.7 Ų | 90.7 | 45% | 0.453 | 54% | 0.538 | S | S | . | . | trans | -92.4 | 99.1 | 160.6 | -66.8 | -169 | 17.9 | 0 | 0 | 111.5 | V661 | V661-Q667 PolarHBondContact O-NE2 2.98Š| ||
| 668 | T | 41.3 | Very low | 52.5 | Low | 129 Ų | 129 | 97.3 Ų | 97.3 | 79% | 0.791 | 57% | 0.572 | S | S | * | * | trans | -76.1 | 117.7 | 156.4 | 42.2 | 0 | 0 | 0 | 0 | 108.4 | D670 | T668-D670 PolarHBondContact O-N 3.26Š| ||
| 669 | H | 38.9 | Very low | 51.2 | Low | 187 Ų | 187 | 99.6 Ų | 99.6 | 87% | 0.866 | 59% | 0.591 | S | S | * | * | trans | -55 | 91.5 | 172.3 | -80.3 | -90.2 | 0 | 0 | 0 | 111.4 | ||||
| 670 | D | 37.9 | Very low | 50.6 | Low | 146 Ų | 146 | 101.7 Ų | 101.7 | 78% | 0.781 | 61% | 0.609 | S | S | * | * | trans | -126.3 | 127.7 | 161.6 | -92.5 | -32.5 | 0 | 0 | 0 | 110.2 | T668 G672 | T668-D670 PolarHBondContact O-N 3.26Å; D670-G672 PolarHBondContact O-N 3.31Å; D670-G672 VanDerWaalsContact O-N 3.13Å | ||
| 671 | A | 33.3 | Very low | 50.7 | Low | 115 Ų | 115 | 100 Ų | 100 | 95% | 0.95 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | 108.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 672 | G | 37 | Very low | 51.5 | Low | 86 Ų | 86 | 98 Ų | 98 | 89% | 0.887 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 134.6 | 7.6 | 157 | 0 | 0 | 0 | 0 | 0 | 120 | D670 | D670-G672 PolarHBondContact O-N 3.31Å; D670-G672 VanDerWaalsContact O-N 3.13Å |
| 673 | G | 37.7 | Very low | 52.1 | Low | 60 Ų | 60 | 92.3 Ų | 92.3 | 62% | 0.619 | 56% | 0.56 | S | S | * | * | trans | -141 | 97.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | T675 | G673-T675 PolarHBondContact O-N 2.76Å; G673-T675 VanDerWaalsContact O-N 3.08Å | ||
| 674 | H | 43.2 | Very low | 52.8 | Low | 188 Ų | 188 | 90.3 Ų | 90.3 | 87% | 0.87 | 54% | 0.544 | S | S | * | . | trans | -59.2 | 106.8 | 173 | -65 | -71 | 0 | 0 | 0 | 111 | A676 | H674-A676 PolarHBondContact O-N 2.63Š| ||
| 675 | T | 49.5 | Very low | 53.5 | Low | 113 Ų | 113 | 89.5 Ų | 89.5 | 69% | 0.693 | 54% | 0.538 | S | S | * | . | trans | -83.4 | 13.1 | 173.9 | 43.1 | 0 | 0 | 0 | 0 | 113.5 | G673 | G673-T675 PolarHBondContact O-N 2.76Å; G673-T675 VanDerWaalsContact O-N 3.08Å | ||
| 676 | A | 49.7 | Very low | 54.4 | Low | 22 Ų | 22 | 90.2 Ų | 90.2 | 18% | 0.182 | 54% | 0.536 | C | S | . | . | S | Bend | trans | -83.9 | 114 | 161.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | V661 H674 L678 | V661-A676 HydrophobicContact CG1-CB 4.15Å; V661-A676 HydrophobicContact CG2-CB 4.03Å; H674-A676 PolarHBondContact O-N 2.63Å; A676-L678 PolarHBondContact O-N 3.1Å |
| 677 | L | 53.1 | Low | 54.8 | Low | 22 Ų | 22 | 84.5 Ų | 84.5 | 12% | 0.115 | 51% | 0.512 | C | S | . | . | trans | -63.8 | 114.5 | -174.9 | -76.4 | 159 | 0 | 0 | 0 | 112.1 | L652 | L652-L677 HydrophobicContact CD1-CD1 3.27Å; L652-L677 HydrophobicContact CD1-CD2 3.7Å; L652-L677 HydrophobicContact CD1-CG 3.61Å; L652-L677 HydrophobicContact CD2-CD1 4.4Å; L652-L677 HydrophobicContact CG-CD1 3.45Å; L652-L677 VanDerWaalsContact CG-CD1 3.45Å; L652-L677 HydrophobicContact CG-CG 4.33Å | ||
| 678 | L | 53 | Low | 55.3 | Low | 141 Ų | 141 | 85.3 Ų | 85.3 | 74% | 0.738 | 53% | 0.526 | S | S | * | . | trans | -56.9 | 147.1 | 157.2 | -78.1 | 124 | 0 | 0 | 0 | 109.8 | A676 N680 S681 | A676-L678 PolarHBondContact O-N 3.1Å; L678-N680 PolarHBondContact O-N 2.87Å; L678-S681 PolarHBondContact O-N 3.15Å; L678-S681 VanDerWaalsContact O-N 3.11Å | ||
| 679 | S | 53.3 | Low | 55.6 | Low | 76 Ų | 76 | 86.5 Ų | 86.5 | 53% | 0.531 | 53% | 0.527 | S | S | . | . | G | 310 helix | trans | -42.2 | -24.4 | -175.2 | 64.4 | 0 | 0 | 0 | 0 | 116.5 | S681 | S679-S681 VanDerWaalsContact C-N 3.29Å; S679-S681 PolarHBondContact O-N 3.34Å |
| 680 | N | 60.6 | Low | 56.3 | Low | 133 Ų | 133 | 85.5 Ų | 85.5 | 71% | 0.711 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -83.8 | 6.5 | -174.8 | -66.2 | -1.9 | 0 | 0 | 0 | 114.8 | L678 N709 | L678-N680 PolarHBondContact O-N 2.87Å; N680-N709 PolarHBondContact O-ND2 3.37Å |
| 681 | S | 67.3 | Low | 57.5 | Low | 30 Ų | 30 | 82.5 Ų | 82.5 | 21% | 0.21 | 51% | 0.507 | C | S | . | . | G | 310 helix | trans | -123 | 8 | -170.2 | -66.3 | 0 | 0 | 0 | 0 | 116 | L678 S679 K712 | L678-S681 PolarHBondContact O-N 3.15Å; L678-S681 VanDerWaalsContact O-N 3.11Å; S679-S681 VanDerWaalsContact C-N 3.29Å; S679-S681 PolarHBondContact O-N 3.34Å; S681-K712 VanDerWaalsContact CB-NZ 3.26Å; S681-K712 WeakPolarHBondContact O-CD 3.46Å; S681-K712 PolarHBondContact OG-NZ 3.19Å |
| 682 | C | 76.4 | Confident | 59.2 | Low | 5 Ų | 5 | 80.5 Ų | 80.5 | 3% | 0.034 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -74.1 | 140.2 | 172.5 | -69.6 | 0 | 0 | 0 | 0 | 112.5 | C638 T639 H684 N709 | C638-C682 HydrophobicContact CB-CB 3.73Å; C638-C682 WeakPolarHBondContact CB-SG 3.43Å; C638-C682 VanDerWaalsContact SG-CA 3.5Å; C638-C682 WeakPolarHBondContact SG-CB 3.48Å; C638-C682 CovalentContact SG-SG 2.05Å; C638-C682 PolarHBondContact SG-SG 3.08Å; T639-C682 HydrophobicContact CG2-CB 3.91Å; C682-H684 PolarHBondContact O-ND1 2.88Å; C682-H684 VanDerWaalsContact O-ND1 3.12Å; C682-N709 WeakPolarHBondContact O-CB 3.23Å; C682-N709 PolarHBondContact O-ND2 3.01Å; C682-N709 VanDerWaalsContact O-ND2 3.08Å |
| 683 | P | 77.5 | Confident | 61.4 | Low | 13 Ų | 13 | 77.4 Ų | 77.4 | 8% | 0.084 | 44% | 0.443 | C | S | . | . | trans | -61.7 | 128.7 | 163 | -16.3 | 29.5 | 0 | 0 | 0 | 110.4 | L713 I775 | P683-L713 HydrophobicContact CB-CD1 3.99Å; P683-L713 HydrophobicContact CG-CD1 3.87Å; P683-L713 HydrophobicContact CG-CD2 4.32Å; P683-L713 HydrophobicContact CG-CG 3.87Å; P683-I775 HydrophobicContact CB-CG2 4.1Å | ||
| 684 | H | 79.5 | Confident | 63.8 | Low | 60 Ų | 60 | 77.3 Ų | 77.3 | 28% | 0.278 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 168.7 | -177.3 | 69.4 | -72.8 | 0 | 0 | 0 | 113.5 | T639 C682 V707 V708 D776 | T639-H684 HydrophobicContact CG2-CB 4.27Å; C682-H684 PolarHBondContact O-ND1 2.88Å; C682-H684 VanDerWaalsContact O-ND1 3.12Å; H684-V707 CarbonylContact O-C 3.42Å; H684-V707 WeakPolarHBondContact O-CA 3.34Å; H684-V708 PolarHBondContact N-O 3.31Å; H684-V708 VanDerWaalsContact N-O 3.14Å; H684-V708 PolarHBondContact O-N 3.16Å; H684-D776 WeakPolarHBondContact CA-OD2 3.44Å; H684-D776 WeakPolarHBondContact CB-OD2 3.24Å |
| 685 | V | 79.3 | Confident | 66 | Low | 16 Ų | 16 | 68.5 Ų | 68.5 | 10% | 0.097 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 130 | 174 | 172.7 | 0 | 0 | 0 | 0 | 110.4 | A687 V705 P706 L767 D776 | V685-A687 HydrophobicContact CG1-CB 4.21Å; V685-A687 PolarHBondContact O-N 3.45Å; V685-V705 HydrophobicContact CG1-CG1 3.88Å; V685-V705 HydrophobicContact CG2-CG1 3.81Å; V685-P706 WeakPolarHBondContact CA-O 3.37Å; V685-P706 WeakPolarHBondContact CG1-O 3.45Å; V685-L767 HydrophobicContact CG2-CD1 4Å; V685-D776 HydrophobicContact CG2-CB 3.94Å; V685-D776 PolarHBondContact N-OD2 3.43Å |
| 686 | D | 75.9 | Confident | 67.9 | Low | 89 Ų | 89 | 63.5 Ų | 63.5 | 48% | 0.476 | 36% | 0.356 | S | S | . | . | trans | -87.5 | 83.1 | -178.4 | -162.3 | 7.3 | 0 | 0 | 0 | 111.6 | P706 V708 | D686-P706 HydrophobicContact CB-CB 4.13Å; D686-P706 HydrophobicContact CB-CG 4.49Å; D686-P706 PolarHBondContact N-O 3.32Å; D686-P706 WeakPolarHBondContact O-CG 3.19Å; D686-V708 HydrophobicContact CB-CG2 3.49Å; D686-V708 VanDerWaalsContact CB-CG2 3.49Å | ||
| 687 | A | 62.7 | Low | 69.9 | Low | 47 Ų | 47 | 63.9 Ų | 63.9 | 39% | 0.388 | 36% | 0.355 | S | S | . | . | trans | -126.1 | 98.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V685 N689 F691 | V685-A687 HydrophobicContact CG1-CB 4.21Å; V685-A687 PolarHBondContact O-N 3.45Å; A687-N689 PolarHBondContact O-N 3.46Å; A687-F691 HydrophobicContact CB-CB 3.73Å; A687-F691 HydrophobicContact CB-CG 4.44Å | ||
| 688 | P | 54.2 | Low | 71.5 | Confident | 114 Ų | 114 | 66.1 Ų | 66.1 | 74% | 0.74 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -83.4 | 99.1 | 172.9 | 31.8 | -28.3 | 0 | 0 | 0 | 109.7 | ||
| 689 | N | 48.9 | Very low | 73.1 | Confident | 153 Ų | 153 | 61.4 Ų | 61.4 | 82% | 0.818 | 35% | 0.347 | S | S | * | . | S | Bend | trans | 67.3 | 119.2 | 177.5 | -60.5 | -29.8 | 0 | 0 | 0 | 116.6 | A687 F691 | A687-N689 PolarHBondContact O-N 3.46Å; N689-F691 PolarHBondContact O-N 2.75Å |
| 690 | L | 53.1 | Low | 74.7 | Confident | 167 Ų | 167 | 61.3 Ų | 61.3 | 87% | 0.874 | 34% | 0.344 | S | S | * | . | trans | 48.8 | 41.6 | 164.2 | -74.1 | 156.7 | 0 | 0 | 0 | 116.2 | E692 | L690-E692 VanDerWaalsContact C-N 3.31Å; L690-E692 PolarHBondContact O-N 2.02Å | ||
| 691 | F | 62.4 | Low | 75.9 | Confident | 82 Ų | 82 | 56.4 Ų | 56.4 | 36% | 0.36 | 32% | 0.319 | S | S | . | . | trans | -67.1 | 92.2 | 169.3 | -168.8 | -89.7 | 0 | 0 | 0 | 109.6 | A687 N689 V693 V778 | A687-F691 HydrophobicContact CB-CB 3.73Å; A687-F691 HydrophobicContact CB-CG 4.44Å; N689-F691 PolarHBondContact O-N 2.75Å; F691-V693 HydrophobicContact CD1-CG2 4.23Å; F691-V693 HydrophobicContact CE1-CG2 3.66Å; F691-V693 HydrophobicContact CZ-CG2 4.43Å; F691-V778 HydrophobicContact CD1-CG2 3.6Å; F691-V778 HydrophobicContact CE1-CG2 4.07Å | ||
| 692 | E | 69.8 | Low | 77 | Confident | 74 Ų | 74 | 59.2 Ų | 59.2 | 35% | 0.346 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 120.5 | 175.9 | -176.7 | 162.5 | -141.2 | 0 | 0 | 108.9 | L690 L694 K779 T781 | L690-E692 VanDerWaalsContact C-N 3.31Å; L690-E692 PolarHBondContact O-N 2.02Å; E692-L694 HydrophobicContact CG-CD2 4.38Å; E692-K779 IonicContact OE1-NZ 2.66Å; E692-K779 PolarHBondContact OE1-NZ 2.79Å; E692-T781 PolarHBondContact OE1-OG1 3.42Å |
| 693 | V | 81.8 | Confident | 77.6 | Confident | 21 Ų | 21 | 59 Ų | 59 | 13% | 0.127 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 116.8 | 178 | -179.6 | 0 | 0 | 0 | 0 | 108.7 | F691 L695 I703 K779 V780 T781 | F691-V693 HydrophobicContact CD1-CG2 4.23Å; F691-V693 HydrophobicContact CE1-CG2 3.66Å; F691-V693 HydrophobicContact CZ-CG2 4.43Å; V693-L695 HydrophobicContact CG1-CD2 3.76Å; V693-L695 HydrophobicContact CG1-CG 4.12Å; V693-I703 HydrophobicContact CG1-CG1 4.36Å; V693-I703 HydrophobicContact CG1-CG2 4.32Å; V693-I703 HydrophobicContact CG2-CG2 4.36Å; V693-K779 PolarHBondContact N-O 3.42Å; V693-V780 HydrophobicContact CB-CB 4.42Å; V693-V780 HydrophobicContact CB-CG1 4.24Å; V693-V780 HydrophobicContact CB-CG2 4.13Å; V693-V780 HydrophobicContact CG1-CG1 4.36Å; V693-V780 HydrophobicContact CG2-CG2 4.47Å; V693-V780 CarbonylContact O-C 3.52Å; V693-V780 WeakPolarHBondContact O-CA 3Å; V693-T781 PolarHBondContact O-N 3.31Å |
| 694 | L | 87.9 | Confident | 78 | Confident | 57 Ų | 57 | 61.9 Ų | 61.9 | 30% | 0.298 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 126.7 | 177.9 | -60.9 | 174.9 | 0 | 0 | 0 | 110.9 | E692 T781 Y783 N801 F802 | E692-L694 HydrophobicContact CG-CD2 4.38Å; L694-T781 CarbonylContact C-O 3.6Å; L694-T781 WeakPolarHBondContact CA-O 3.42Å; L694-T781 HydrophobicContact CD2-CG2 4.16Å; L694-Y783 HydrophobicContact CB-CE1 4.14Å; L694-N801 HydrophobicContact CD1-CB 3.82Å; L694-F802 HydrophobicContact CD2-CE1 4.36Å |
| 695 | L | 89.6 | Confident | 78.4 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 120.6 | -176.7 | -56.7 | 179.8 | 0 | 0 | 0 | 110.9 | V693 D697 T701 I703 Y752 V780 T781 I782 Y783 | V693-L695 HydrophobicContact CG1-CD2 3.76Å; V693-L695 HydrophobicContact CG1-CG 4.12Å; L695-D697 PolarHBondContact O-N 3.13Å; L695-T701 HydrophobicContact CD2-CG2 4.45Å; L695-T701 WeakPolarHBondContact CD2-OG1 3.46Å; L695-I703 HydrophobicContact CD1-CD1 4.16Å; L695-I703 HydrophobicContact CD2-CG1 4.41Å; L695-Y752 HydrophobicContact CD1-CD2 3.51Å; L695-Y752 HydrophobicContact CD1-CE2 3.83Å; L695-Y752 HydrophobicContact CD1-CG 3.89Å; L695-V780 HydrophobicContact CD1-CG1 3.26Å; L695-V780 HydrophobicContact CG-CG1 3.84Å; L695-T781 PolarHBondContact N-O 2.79Å; L695-I782 HydrophobicContact CB-CG1 4.31Å; L695-I782 HydrophobicContact CD1-CG1 4.48Å; L695-I782 CarbonylContact O-C 3.58Å; L695-I782 WeakPolarHBondContact O-CA 3.18Å; L695-Y783 WeakPolarHBondContact O-CD1 3.25Å; L695-Y783 WeakPolarHBondContact O-CE1 3.45Å; L695-Y783 PolarHBondContact O-N 2.95Å |
| 696 | P | 90.3 | Very high | 78.6 | Confident | 8 Ų | 8 | 59.8 Ų | 59.8 | 5% | 0.052 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 135.7 | 171.7 | 17.2 | -21.5 | 0 | 0 | 0 | 110.4 | S698 H699 T701 Y783 Y813 | P696-S698 PolarHBondContact O-N 2.88Å; P696-H699 HydrophobicContact CB-CB 3.93Å; P696-H699 HydrophobicContact CG-CB 3.7Å; P696-H699 PolarHBondContact O-N 3Å; P696-T701 HydrophobicContact CG-CG2 4.41Å; P696-Y783 HydrophobicContact CB-CE1 4.26Å; P696-Y783 HydrophobicContact CB-CE2 4.2Å; P696-Y783 VanDerWaalsContact N-CE1 3.33Å; P696-Y813 HydrophobicContact CB-CD2 4.07Å; P696-Y813 HydrophobicContact CB-CE2 4.03Å; P696-Y813 HydrophobicContact CB-CG 4.38Å; P696-Y813 HydrophobicContact CG-CD2 4.43Å; P696-Y813 HydrophobicContact CG-CE1 4.36Å; P696-Y813 HydrophobicContact CG-CE2 3.89Å |
| 697 | D | 90.3 | Very high | 78.9 | Confident | 30 Ų | 30 | 56.1 Ų | 56.1 | 16% | 0.16 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 133.4 | 177.8 | 176.9 | 39.6 | 0 | 0 | 0 | 111 | L695 H699 T753 Y754 I782 Y783 K784 | L695-D697 PolarHBondContact O-N 3.13Å; D697-H699 PolarHBondContact O-N 3.24Å; D697-H699 PolarHBondContact O-ND1 2.87Å; D697-T753 VanDerWaalsContact OD1-CA 3.27Å; D697-T753 WeakPolarHBondContact OD1-CA 3.46Å; D697-T753 WeakPolarHBondContact OD1-CB 3.04Å; D697-T753 PolarHBondContact OD1-OG1 3.36Å; D697-Y754 HydrophobicContact CB-CE1 4.32Å; D697-I782 HydrophobicContact CB-CG2 4.28Å; D697-Y783 VanDerWaalsContact CB-O 3.31Å; D697-Y783 WeakPolarHBondContact CB-O 3.46Å; D697-Y783 PolarHBondContact N-O 3.38Å; D697-K784 HydrophobicContact CB-CG 3.83Å; D697-K784 WeakPolarHBondContact OD2-CE 3.3Å |
| 698 | S | 87.1 | Confident | 79.7 | Confident | 69 Ų | 69 | 56.1 Ų | 56.1 | 48% | 0.483 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 20.3 | 177.6 | -58.8 | 0 | 0 | 0 | 0 | 115.8 | P696 Y752 T753 | P696-S698 PolarHBondContact O-N 2.88Å; S698-Y752 PolarHBondContact N-O 3.19Å; S698-T753 PolarHBondContact OG-OG1 3.39Å |
| 699 | H | 86.3 | Confident | 80.8 | Confident | 42 Ų | 42 | 52.2 Ų | 52.2 | 19% | 0.194 | 29% | 0.292 | C | S | . | . | trans | -112.8 | 125.8 | -179.1 | -78.2 | 81 | 0 | 0 | 0 | 113 | P696 D697 T701 Y813 Q816 | P696-H699 HydrophobicContact CB-CB 3.93Å; P696-H699 HydrophobicContact CG-CB 3.7Å; P696-H699 PolarHBondContact O-N 3Å; D697-H699 PolarHBondContact O-N 3.24Å; D697-H699 PolarHBondContact O-ND1 2.87Å; H699-T701 PolarHBondContact O-N 3.37Å; H699-T701 PolarHBondContact O-OG1 2.91Å; H699-Y813 AromaticContact CD2-CD1 3.61Å; H699-Y813 AromaticContact CD2-CE1 3.59Å; H699-Y813 AromaticContact CE1-CD1 3.77Å; H699-Y813 AromaticContact NE2-CD1 3.36Å; H699-Y813 WeakPolarHBondContact NE2-CD1 3.37Å; H699-Y813 AromaticContact NE2-CE1 3.85Å; H699-Q816 PolarHBondContact CE1-OE1 3Å; H699-Q816 VanDerWaalsContact CE1-OE1 3.28Å | ||
| 700 | P | 88.4 | Confident | 82 | Confident | 73 Ų | 73 | 45.7 Ų | 45.7 | 47% | 0.474 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 113.7 | -179.1 | -22.1 | 31.9 | 0 | 0 | 0 | 113.6 | Q749 Y750 A751 | P700-Q749 HydrophobicContact CB-CG 3.77Å; P700-Q749 PolarHBondContact O-NE2 2.87Å; P700-Y750 WeakPolarHBondContact CA-O 3.39Å; P700-A751 HydrophobicContact CG-CB 4.2Å |
| 701 | T | 85.3 | Confident | 82.8 | Confident | 30 Ų | 30 | 43.9 Ų | 43.9 | 18% | 0.184 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 145.8 | -174.2 | 41.1 | 0 | 0 | 0 | 0 | 112 | L695 P696 H699 Q749 Y750 | L695-T701 HydrophobicContact CD2-CG2 4.45Å; L695-T701 WeakPolarHBondContact CD2-OG1 3.46Å; P696-T701 HydrophobicContact CG-CG2 4.41Å; H699-T701 PolarHBondContact O-N 3.37Å; H699-T701 PolarHBondContact O-OG1 2.91Å; T701-Q749 WeakPolarHBondContact O-CA 3.36Å; T701-Y750 PolarHBondContact N-O 3.45Å; T701-Y750 PolarHBondContact O-N 2.87Å; T701-Y750 VanDerWaalsContact O-N 3.08Å |
| 702 | T | 89.4 | Confident | 82.9 | Confident | 90 Ų | 90 | 43.5 Ų | 43.5 | 55% | 0.552 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 137.3 | 173.9 | 46.8 | 0 | 0 | 0 | 0 | 110 | Q749 | T702-Q749 HydrophobicContact CG2-CB 3.81Å; T702-Q749 HydrophobicContact CG2-CG 4.27Å |
| 703 | I | 89 | Confident | 82.8 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 127.2 | 179.3 | -56.8 | 177.8 | 0 | 0 | 0 | 108.9 | V693 L695 V705 V746 C747 Y752 L765 | V693-I703 HydrophobicContact CG1-CG1 4.36Å; V693-I703 HydrophobicContact CG1-CG2 4.32Å; V693-I703 HydrophobicContact CG2-CG2 4.36Å; L695-I703 HydrophobicContact CD1-CD1 4.16Å; L695-I703 HydrophobicContact CD2-CG1 4.41Å; I703-V705 HydrophobicContact CG2-CG2 3.98Å; I703-V746 CarbonylContact O-C 3.59Å; I703-C747 HydrophobicContact CB-CB 4.03Å; I703-C747 PolarHBondContact O-N 3.46Å; I703-Y752 HydrophobicContact CD1-CE2 3.95Å; I703-Y752 VanDerWaalsContact CD1-OH 3.27Å; I703-Y752 WeakPolarHBondContact CD1-OH 3.34Å; I703-Y752 HydrophobicContact CG1-CE2 4.46Å; I703-L765 HydrophobicContact CD1-CD1 3.68Å; I703-L765 HydrophobicContact CG2-CD1 4.04Å |
| 704 | T | 87.6 | Confident | 81.7 | Confident | 72 Ų | 72 | 45.3 Ų | 45.3 | 44% | 0.442 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 122.2 | 176.6 | -56.5 | 0 | 0 | 0 | 0 | 109.3 | A744 V746 | T704-A744 HydrophobicContact CG2-CB 3.8Å; T704-V746 HydrophobicContact CG2-CG2 4.23Å |
| 705 | V | 86.5 | Confident | 80.2 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 115.5 | -175.9 | -173.8 | 0 | 0 | 0 | 0 | 109.6 | V685 I703 A744 V745 L765 L767 V778 | V685-V705 HydrophobicContact CG1-CG1 3.88Å; V685-V705 HydrophobicContact CG2-CG1 3.81Å; I703-V705 HydrophobicContact CG2-CG2 3.98Å; V705-A744 CarbonylContact O-C 3.21Å; V705-A744 WeakPolarHBondContact O-CA 3.29Å; V705-V745 PolarHBondContact N-O 2.82Å; V705-V745 PolarHBondContact O-N 2.98Å; V705-L765 HydrophobicContact CG2-CD2 4.35Å; V705-L767 HydrophobicContact CG1-CD1 4.06Å; V705-L767 HydrophobicContact CG2-CD2 4.49Å; V705-V778 HydrophobicContact CG1-CG1 4.4Å; V705-V778 HydrophobicContact CG2-CG1 4.12Å |
| 706 | P | 84.9 | Confident | 78.5 | Confident | 33 Ų | 33 | 52 Ų | 52 | 21% | 0.214 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 142.3 | 178.6 | 32.5 | -37 | 0 | 0 | 0 | 111.4 | V685 D686 K743 | V685-P706 WeakPolarHBondContact CA-O 3.37Å; V685-P706 WeakPolarHBondContact CG1-O 3.45Å; D686-P706 HydrophobicContact CB-CB 4.13Å; D686-P706 HydrophobicContact CB-CG 4.49Å; D686-P706 PolarHBondContact N-O 3.32Å; D686-P706 WeakPolarHBondContact O-CG 3.19Å; P706-K743 WeakPolarHBondContact CA-O 3.49Å |
| 707 | V | 81.1 | Confident | 76.8 | Confident | 11 Ų | 11 | 55.3 Ų | 55.3 | 7% | 0.067 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 150.8 | -172.1 | -67.7 | 0 | 0 | 0 | 0 | 113.3 | H684 L710 L738 K743 V745 L767 | H684-V707 CarbonylContact O-C 3.42Å; H684-V707 WeakPolarHBondContact O-CA 3.34Å; V707-L710 HydrophobicContact CB-CD1 3.58Å; V707-L710 HydrophobicContact CG1-CD1 3.96Å; V707-L710 HydrophobicContact CG2-CD1 3.79Å; V707-L738 HydrophobicContact CG2-CD1 4.26Å; V707-K743 PolarHBondContact N-O 3.36Å; V707-V745 HydrophobicContact CG1-CG2 3.88Å; V707-V745 HydrophobicContact CG2-CG2 4.08Å; V707-L767 HydrophobicContact CG1-CD1 3.73Å |
| 708 | V | 80.7 | Confident | 75.2 | Confident | 48 Ų | 48 | 56 Ų | 56 | 29% | 0.291 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 154 | 178.8 | -161.8 | 0 | 0 | 0 | 0 | 110.8 | H684 D686 L710 | H684-V708 PolarHBondContact N-O 3.31Å; H684-V708 VanDerWaalsContact N-O 3.14Å; H684-V708 PolarHBondContact O-N 3.16Å; D686-V708 HydrophobicContact CB-CG2 3.49Å; D686-V708 VanDerWaalsContact CB-CG2 3.49Å; V708-L710 PolarHBondContact O-N 3.39Å; V708-L710 VanDerWaalsContact O-N 3.12Å |
| 709 | N | 75.6 | Confident | 74 | Confident | 32 Ų | 32 | 60.8 Ų | 60.8 | 17% | 0.171 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 60.3 | 18.3 | 174.2 | -68.4 | -34.4 | 0 | 0 | 0 | 114.7 | N680 C682 D711 K712 | N680-N709 PolarHBondContact O-ND2 3.37Å; C682-N709 WeakPolarHBondContact O-CB 3.23Å; C682-N709 PolarHBondContact O-ND2 3.01Å; C682-N709 VanDerWaalsContact O-ND2 3.08Å; N709-D711 WeakPolarHBondContact CA-OD1 3.45Å; N709-D711 PolarHBondContact O-N 2.96Å; N709-K712 HydrophobicContact CB-CD 4.23Å; N709-K712 PolarHBondContact O-N 2.81Å |
| 710 | L | 74.8 | Confident | 73.3 | Confident | 15 Ų | 15 | 67.2 Ų | 67.2 | 8% | 0.079 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -68.5 | -20.4 | 176.9 | -119.5 | 103.6 | 0 | 0 | 0 | 112.8 | V707 V708 K712 L713 M721 L738 I775 | V707-L710 HydrophobicContact CB-CD1 3.58Å; V707-L710 HydrophobicContact CG1-CD1 3.96Å; V707-L710 HydrophobicContact CG2-CD1 3.79Å; V708-L710 PolarHBondContact O-N 3.39Å; V708-L710 VanDerWaalsContact O-N 3.12Å; L710-K712 PolarHBondContact O-N 2.84Å; L710-L713 HydrophobicContact CG-CD1 4.31Å; L710-L713 PolarHBondContact O-N 2.85Å; L710-M721 HydrophobicContact CD2-CE 3.4Å; L710-M721 VanDerWaalsContact CD2-CE 3.4Å; L710-M721 HydrophobicContact CD2-SD 3.96Å; L710-L738 HydrophobicContact CD2-CD1 4.27Å; L710-I775 HydrophobicContact CD1-CG2 4.11Å; L710-I775 HydrophobicContact CD2-CD1 4.49Å |
| 711 | D | 70.1 | Confident | 72.9 | Confident | 129 Ų | 129 | 64.4 Ų | 64.4 | 69% | 0.69 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -66.6 | -21.6 | 174.4 | 60.1 | -47.9 | 0 | 0 | 0 | 113.4 | N709 L713 | N709-D711 WeakPolarHBondContact CA-OD1 3.45Å; N709-D711 PolarHBondContact O-N 2.96Å; D711-L713 VanDerWaalsContact C-N 3.26Å; D711-L713 PolarHBondContact O-N 2.74Å |
| 712 | K | 65.3 | Low | 73.1 | Confident | 75 Ų | 75 | 64.9 Ų | 64.9 | 33% | 0.326 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -76.7 | -10.1 | 176.5 | -63 | -175.5 | 177.7 | 172.5 | 0 | 113.7 | S681 N709 L710 | S681-K712 VanDerWaalsContact CB-NZ 3.26Å; S681-K712 WeakPolarHBondContact O-CD 3.46Å; S681-K712 PolarHBondContact OG-NZ 3.19Å; N709-K712 HydrophobicContact CB-CD 4.23Å; N709-K712 PolarHBondContact O-N 2.81Å; L710-K712 PolarHBondContact O-N 2.84Å |
| 713 | L | 66.1 | Low | 73.1 | Confident | 41 Ų | 41 | 60.6 Ų | 60.6 | 22% | 0.215 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -85.9 | 115.4 | 175.1 | -72 | 158.2 | 0 | 0 | 0 | 109.6 | P683 L710 D711 L715 I775 | P683-L713 HydrophobicContact CB-CD1 3.99Å; P683-L713 HydrophobicContact CG-CD1 3.87Å; P683-L713 HydrophobicContact CG-CD2 4.32Å; P683-L713 HydrophobicContact CG-CG 3.87Å; L710-L713 HydrophobicContact CG-CD1 4.31Å; L710-L713 PolarHBondContact O-N 2.85Å; D711-L713 VanDerWaalsContact C-N 3.26Å; D711-L713 PolarHBondContact O-N 2.74Å; L713-L715 HydrophobicContact CB-CD1 4.31Å; L713-L715 HydrophobicContact CB-CG 4.14Å; L713-L715 PolarHBondContact O-N 2.83Å; L713-I775 HydrophobicContact CD1-CG1 4.46Å; L713-I775 HydrophobicContact CD1-CG2 4.37Å |
| 714 | T | 59.7 | Low | 73.2 | Confident | 91 Ų | 91 | 61.3 Ų | 61.3 | 56% | 0.558 | 33% | 0.331 | S | S | * | . | trans | -69.6 | 76.5 | 172.3 | 39.9 | 0 | 0 | 0 | 0 | 110.4 | E653 N716 | E653-T714 PolarHBondContact OE1-OG1 2.96Å; T714-N716 PolarHBondContact O-N 2.82Å | ||
| 715 | L | 56.6 | Low | 73.3 | Confident | 58 Ų | 58 | 57.9 Ų | 57.9 | 30% | 0.304 | 31% | 0.309 | S | S | . | . | trans | -71.5 | 6.7 | -173.4 | -80.4 | 154.8 | 0 | 0 | 0 | 115.4 | L713 G717 D718 T769 | L713-L715 HydrophobicContact CB-CD1 4.31Å; L713-L715 HydrophobicContact CB-CG 4.14Å; L713-L715 PolarHBondContact O-N 2.83Å; L715-G717 PolarHBondContact O-N 3.48Å; L715-D718 PolarHBondContact O-N 2.91Å; L715-T769 HydrophobicContact CD2-CG2 4.09Å | ||
| 716 | N | 53.6 | Low | 73.3 | Confident | 144 Ų | 144 | 61.4 Ų | 61.4 | 77% | 0.77 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 36.4 | 43.3 | 175.3 | -79.3 | -16.2 | 0 | 0 | 0 | 114.8 | T714 | T714-N716 PolarHBondContact O-N 2.82Š|
| 717 | G | 54.1 | Low | 73.4 | Confident | 78 Ų | 78 | 60.2 Ų | 60.2 | 80% | 0.804 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | -4.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | L715 K719 | L715-G717 PolarHBondContact O-N 3.48Å; G717-K719 PolarHBondContact O-N 3.43Å |
| 718 | D | 57.9 | Low | 73.6 | Confident | 43 Ų | 43 | 64.2 Ų | 64.2 | 23% | 0.23 | 34% | 0.341 | C | S | . | . | trans | -96.5 | 90.4 | -178.7 | -151.6 | 2.9 | 0 | 0 | 0 | 111.8 | L715 R720 T770 | L715-D718 PolarHBondContact O-N 2.91Å; D718-R720 PolarHBondContact O-N 3.47Å; D718-R720 IonicContact OD1-NE 3.51Å; D718-R720 PolarHBondContact OD1-NE 3.27Å; D718-T770 PolarHBondContact OD2-OG1 2.88Å | ||
| 719 | K | 60.8 | Low | 73.4 | Confident | 171 Ų | 171 | 65.3 Ų | 65.3 | 74% | 0.743 | 36% | 0.362 | S | S | * | . | trans | -81.1 | 9.6 | -179.8 | -64.8 | -174.2 | 178.4 | -177.6 | 0 | 114.2 | G717 | G717-K719 PolarHBondContact O-N 3.43Š| ||
| 720 | R | 71.1 | Confident | 73.7 | Confident | 177 Ų | 177 | 70.5 Ų | 70.5 | 67% | 0.668 | 38% | 0.384 | S | S | * | . | trans | -91.3 | 127.3 | -174.3 | -73.9 | -179.3 | -88.3 | -165.6 | -12 | 111.1 | D718 T770 | D718-R720 PolarHBondContact O-N 3.47Å; D718-R720 IonicContact OD1-NE 3.51Å; D718-R720 PolarHBondContact OD1-NE 3.27Å; R720-T770 HydrophobicContact CB-CG2 3.62Å | ||
| 721 | M | 80.1 | Confident | 74.1 | Confident | 14 Ų | 14 | 73.3 Ų | 73.3 | 7% | 0.069 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 161.1 | 179.8 | -59.9 | -179.5 | -158.2 | 0 | 0 | 110.6 | L710 A736 L738 V745 | L710-M721 HydrophobicContact CD2-CE 3.4Å; L710-M721 VanDerWaalsContact CD2-CE 3.4Å; L710-M721 HydrophobicContact CD2-SD 3.96Å; M721-A736 HydrophobicContact CB-CB 4.04Å; M721-A736 PolarHBondContact N-O 3.21Å; M721-A736 PolarHBondContact O-N 3.44Å; M721-A736 VanDerWaalsContact O-O 3.13Å; M721-L738 HydrophobicContact CE-CB 4.21Å; M721-L738 HydrophobicContact CE-CD1 3.98Å; M721-V745 HydrophobicContact SD-CG1 4.23Å; M721-V745 HydrophobicContact SD-CG2 3.66Å |
| 722 | L | 89.3 | Confident | 74.9 | Confident | 40 Ų | 40 | 68 Ų | 68 | 21% | 0.209 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 136.9 | 177.9 | -64.8 | 168.3 | 0 | 0 | 0 | 109.4 | V724 V734 Q768 | L722-V724 HydrophobicContact CB-CG2 4.18Å; L722-V734 WeakPolarHBondContact CA-O 3.26Å; L722-Q768 HydrophobicContact CB-CB 4.41Å; L722-Q768 PolarHBondContact N-O 2.02Å; L722-Q768 PolarHBondContact O-N 2.93Å |
| 723 | C | 90.6 | Very high | 76 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 120.1 | 164.2 | -59.1 | 0 | 0 | 0 | 0 | 108.1 | V734 A736 C747 L765 | C723-V734 HydrophobicContact CB-CB 4.36Å; C723-V734 PolarHBondContact N-O 2.74Å; C723-V734 PolarHBondContact O-N 3.49Å; C723-A736 VanDerWaalsContact SG-CB 3.54Å; C723-C747 HydrophobicContact CB-CB 3.85Å; C723-C747 WeakPolarHBondContact CB-SG 3.26Å; C723-C747 WeakPolarHBondContact SG-CB 3.35Å; C723-C747 CovalentContact SG-SG 2.03Å; C723-C747 PolarHBondContact SG-SG 2.8Å; C723-L765 HydrophobicContact CB-CD1 4.24Å; C723-L765 HydrophobicContact CB-CD2 4.11Å; C723-L765 HydrophobicContact CB-CG 4.26Å |
| 724 | V | 90 | Very high | 77.2 | Confident | 15 Ų | 15 | 70.4 Ų | 70.4 | 9% | 0.091 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 119.8 | -175.1 | -175.4 | 0 | 0 | 0 | 0 | 109.7 | L722 V732 R733 L765 F766 Q768 | L722-V724 HydrophobicContact CB-CG2 4.18Å; V724-V732 WeakPolarHBondContact CA-O 3.4Å; V724-R733 HydrophobicContact CG1-CG 4.28Å; V724-R733 HydrophobicContact CG2-CG 4.27Å; V724-L765 WeakPolarHBondContact O-CA 3.34Å; V724-F766 HydrophobicContact CB-CB 4.46Å; V724-F766 PolarHBondContact N-O 2.94Å; V724-F766 PolarHBondContact O-N 2.79Å; V724-Q768 HydrophobicContact CG2-CB 4.19Å |
| 725 | L | 89.8 | Confident | 78.6 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 153.9 | 175.6 | -58 | 87.7 | 0 | 0 | 0 | 110 | S731 V732 Y752 V763 L765 V780 | L725-S731 CarbonylContact O-C 3.42Å; L725-S731 WeakPolarHBondContact O-CA 3.19Å; L725-V732 PolarHBondContact N-O 2.88Å; L725-V732 PolarHBondContact O-N 2.59Å; L725-Y752 HydrophobicContact CD1-CE1 3.98Å; L725-Y752 HydrophobicContact CD2-CE1 4.15Å; L725-V763 HydrophobicContact CD2-CG2 4.01Å; L725-L765 HydrophobicContact CD1-CB 4.37Å; L725-L765 HydrophobicContact CD1-CD1 3.74Å; L725-L765 HydrophobicContact CD1-CG 3.89Å; L725-L765 HydrophobicContact CD2-CB 4.06Å; L725-L765 HydrophobicContact CD2-CD1 4.1Å; L725-L765 HydrophobicContact CD2-CG 4.38Å; L725-L765 HydrophobicContact CG-CB 3.81Å; L725-L765 HydrophobicContact CG-CD1 4.02Å; L725-L765 HydrophobicContact CG-CG 3.9Å; L725-V780 HydrophobicContact CD2-CB 4.32Å; L725-V780 HydrophobicContact CD2-CG1 4.37Å; L725-V780 HydrophobicContact CD2-CG2 4.14Å |
| 726 | T | 87.1 | Confident | 80.1 | Confident | 74 Ų | 74 | 71.8 Ų | 71.8 | 45% | 0.454 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 110.1 | 170.4 | -50.6 | 0 | 0 | 0 | 0 | 108.9 | H730 | T726-H730 CarbonylContact C-O 3.54Å; T726-H730 WeakPolarHBondContact CA-O 3.49Å |
| 727 | I | 86.8 | Confident | 81.6 | Confident | 9 Ų | 9 | 67.7 Ų | 67.7 | 5% | 0.046 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 117.8 | -178.6 | -56.4 | 169.4 | 0 | 0 | 0 | 107.3 | G729 H730 V732 Y752 I761 V763 I782 | I727-G729 PolarHBondContact O-N 2.75Å; I727-G729 VanDerWaalsContact O-N 3.09Å; I727-H730 PolarHBondContact N-O 2.76Å; I727-H730 WeakPolarHBondContact O-CB 3.48Å; I727-H730 PolarHBondContact O-N 3.35Å; I727-V732 HydrophobicContact CD1-CG2 4.27Å; I727-Y752 HydrophobicContact CD1-CD1 3.88Å; I727-I761 HydrophobicContact CG2-CD1 3.97Å; I727-V763 HydrophobicContact CG1-CG1 4.21Å; I727-V763 HydrophobicContact CG1-CG2 4.3Å; I727-I782 HydrophobicContact CD1-CD1 3.84Å; I727-I782 HydrophobicContact CG1-CD1 4.44Å |
| 728 | E | 85.1 | Confident | 82.8 | Confident | 95 Ų | 95 | 66.6 Ų | 66.6 | 44% | 0.444 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 42.9 | 179.9 | -62.2 | -176.5 | 136.5 | 0 | 0 | 113.3 | H730 D755 A756 | E728-H730 VanDerWaalsContact C-N 3.28Å; E728-H730 PolarHBondContact O-N 2.92Å; E728-H730 PolarHBondContact O-ND1 3.1Å; E728-D755 PolarHBondContact OE2-N 3.18Å; E728-A756 PolarHBondContact OE1-N 3.11Å |
| 729 | G | 77.4 | Confident | 83.8 | Confident | 70 Ų | 70 | 66.3 Ų | 66.3 | 72% | 0.722 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | -4.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | I727 | I727-G729 PolarHBondContact O-N 2.75Å; I727-G729 VanDerWaalsContact O-N 3.09Å |
| 730 | H | 82.4 | Confident | 84.6 | Confident | 141 Ų | 141 | 66.3 Ų | 66.3 | 65% | 0.653 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 124.8 | 177.6 | -63.3 | 74.5 | 0 | 0 | 0 | 110.6 | T726 I727 E728 | T726-H730 CarbonylContact C-O 3.54Å; T726-H730 WeakPolarHBondContact CA-O 3.49Å; I727-H730 PolarHBondContact N-O 2.76Å; I727-H730 WeakPolarHBondContact O-CB 3.48Å; I727-H730 PolarHBondContact O-N 3.35Å; E728-H730 VanDerWaalsContact C-N 3.28Å; E728-H730 PolarHBondContact O-N 2.92Å; E728-H730 PolarHBondContact O-ND1 3.1Å |
| 731 | S | 82.2 | Confident | 84.8 | Confident | 74 Ų | 74 | 62.4 Ų | 62.4 | 52% | 0.517 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 114.8 | 179.4 | -171.1 | 0 | 0 | 0 | 0 | 111 | L725 | L725-S731 CarbonylContact O-C 3.42Å; L725-S731 WeakPolarHBondContact O-CA 3.19Å |
| 732 | V | 87.6 | Confident | 84.5 | Confident | 19 Ų | 19 | 68.3 Ų | 68.3 | 12% | 0.115 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 121.3 | 176.7 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | V724 L725 I727 V734 Y750 Y752 | V724-V732 WeakPolarHBondContact CA-O 3.4Å; L725-V732 PolarHBondContact N-O 2.88Å; L725-V732 PolarHBondContact O-N 2.59Å; I727-V732 HydrophobicContact CD1-CG2 4.27Å; V732-V734 HydrophobicContact CG1-CG2 4.01Å; V732-Y750 HydrophobicContact CG1-CD1 3.98Å; V732-Y750 HydrophobicContact CG1-CE1 3.51Å; V732-Y750 HydrophobicContact CG1-CE2 4.41Å; V732-Y752 HydrophobicContact CG1-CE1 4.27Å |
| 733 | R | 88.8 | Confident | 84.1 | Confident | 159 Ų | 159 | 73.4 Ų | 73.4 | 60% | 0.6 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 113.8 | -179.3 | -62 | -179.1 | 117.5 | 137.7 | 0.7 | 109.8 | V724 Q768 | V724-R733 HydrophobicContact CG1-CG 4.28Å; V724-R733 HydrophobicContact CG2-CG 4.27Å; R733-Q768 VanDerWaalsContact NH2-OE1 3.08Å |
| 734 | V | 89.8 | Confident | 83.7 | Confident | 7 Ų | 7 | 74 Ų | 74 | 4% | 0.042 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 134.6 | -178.5 | -173.8 | 0 | 0 | 0 | 0 | 108.3 | L722 C723 V732 C747 E748 Y750 | L722-V734 WeakPolarHBondContact CA-O 3.26Å; C723-V734 HydrophobicContact CB-CB 4.36Å; C723-V734 PolarHBondContact N-O 2.74Å; C723-V734 PolarHBondContact O-N 3.49Å; V732-V734 HydrophobicContact CG1-CG2 4.01Å; V734-C747 HydrophobicContact CG1-CB 4.08Å; V734-E748 HydrophobicContact CG1-CB 3.88Å; V734-E748 VanDerWaalsContact CG1-O 3.29Å; V734-E748 WeakPolarHBondContact CG1-O 3.42Å; V734-Y750 HydrophobicContact CG2-CD2 4.46Å; V734-Y750 HydrophobicContact CG2-CG 4.17Å |
| 735 | R | 90.1 | Very high | 83.5 | Confident | 167 Ų | 167 | 73.3 Ų | 73.3 | 63% | 0.63 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 147.5 | 176.4 | -56.5 | -176.9 | -161.5 | 137.5 | 0.6 | 109.6 | C747 E748 | R735-C747 WeakPolarHBondContact O-CA 3.37Å; R735-E748 HydrophobicContact CB-CG 4.16Å; R735-E748 IonicContact NH1-OE1 3.65Å; R735-E748 IonicContact NH1-OE2 2.92Å; R735-E748 PolarHBondContact O-N 2.77Å |
| 736 | A | 87.7 | Confident | 83.4 | Confident | 11 Ų | 11 | 75.6 Ų | 75.6 | 9% | 0.091 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 145.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | M721 C723 V745 V746 | M721-A736 HydrophobicContact CB-CB 4.04Å; M721-A736 PolarHBondContact N-O 3.21Å; M721-A736 PolarHBondContact O-N 3.44Å; M721-A736 VanDerWaalsContact O-O 3.13Å; C723-A736 VanDerWaalsContact SG-CB 3.54Å; A736-V745 HydrophobicContact CB-CG1 3.56Å; A736-V746 CarbonylContact C-O 3.52Å; A736-V746 WeakPolarHBondContact CA-O 3.02Å |
| 737 | A | 84.9 | Confident | 83.6 | Confident | 58 Ų | 58 | 72.1 Ų | 72.1 | 48% | 0.479 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 148.2 | 176 | 0 | 0 | 0 | 0 | 0 | 109.8 | V746 | A737-V746 PolarHBondContact N-O 3.24Å; A737-V746 PolarHBondContact O-N 2.86Å |
| 738 | L | 79.6 | Confident | 83.7 | Confident | 55 Ų | 55 | 76.3 Ų | 76.3 | 29% | 0.288 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 132.5 | 169.3 | -160.5 | 74.5 | 0 | 0 | 0 | 108.5 | V707 L710 M721 Q742 V745 | V707-L738 HydrophobicContact CG2-CD1 4.26Å; L710-L738 HydrophobicContact CD2-CD1 4.27Å; M721-L738 HydrophobicContact CE-CB 4.21Å; M721-L738 HydrophobicContact CE-CD1 3.98Å; L738-Q742 HydrophobicContact CD2-CB 3.8Å; L738-Q742 HydrophobicContact CD2-CG 3.79Å; L738-V745 HydrophobicContact CD1-CG2 4.07Å |
| 739 | S | 78.9 | Confident | 83.9 | Confident | 36 Ų | 36 | 78.1 Ų | 78.1 | 25% | 0.252 | 41% | 0.408 | S | S | . | . | trans | -57.4 | 154.3 | 175.6 | -176.1 | 0 | 0 | 0 | 0 | 111.2 | N741 Q742 A744 | S739-N741 VanDerWaalsContact CB-OD1 3.32Å; S739-N741 WeakPolarHBondContact CB-OD1 3.14Å; S739-N741 PolarHBondContact O-N 3.48Å; S739-N741 PolarHBondContact OG-OD1 2.92Å; S739-Q742 WeakPolarHBondContact O-CA 2.93Å; S739-Q742 PolarHBondContact O-N 3.39Å; S739-A744 WeakPolarHBondContact CB-O 3.36Å; S739-A744 PolarHBondContact N-O 2.88Å | ||
| 740 | D | 77.8 | Confident | 84.6 | Confident | 172 Ų | 172 | 79.7 Ų | 79.7 | 92% | 0.92 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -30.2 | 179.3 | -65.1 | -29.3 | 0 | 0 | 0 | 113 | Q742 | D740-Q742 VanDerWaalsContact C-N 3.32Š|
| 741 | N | 75.8 | Confident | 85 | Confident | 94 Ų | 94 | 75 Ų | 75 | 50% | 0.503 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 1 | 178.5 | 65.4 | 13 | 0 | 0 | 0 | 114.2 | S739 K743 | S739-N741 VanDerWaalsContact CB-OD1 3.32Å; S739-N741 WeakPolarHBondContact CB-OD1 3.14Å; S739-N741 PolarHBondContact O-N 3.48Å; S739-N741 PolarHBondContact OG-OD1 2.92Å; N741-K743 WeakPolarHBondContact O-CG 3.41Å; N741-K743 PolarHBondContact O-N 3.32Å; N741-K743 VanDerWaalsContact O-N 3.11Å; N741-K743 PolarHBondContact OD1-N 3Å |
| 742 | Q | 72.9 | Confident | 85.4 | Confident | 138 Ų | 138 | 71.5 Ų | 71.5 | 65% | 0.645 | 35% | 0.354 | S | S | * | . | S | Bend | trans | 56.8 | 16.5 | -175.8 | -57 | -167.7 | -20.8 | 0 | 0 | 115.9 | L738 S739 D740 | L738-Q742 HydrophobicContact CD2-CB 3.8Å; L738-Q742 HydrophobicContact CD2-CG 3.79Å; S739-Q742 WeakPolarHBondContact O-CA 2.93Å; S739-Q742 PolarHBondContact O-N 3.39Å; D740-Q742 VanDerWaalsContact C-N 3.32Å |
| 743 | K | 80 | Confident | 85.5 | Confident | 148 Ų | 148 | 74.1 Ų | 74.1 | 64% | 0.643 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -105.3 | -5 | -175.8 | -70.5 | 179.1 | 179.6 | -170.4 | 0 | 114.4 | P706 V707 N741 | P706-K743 WeakPolarHBondContact CA-O 3.49Å; V707-K743 PolarHBondContact N-O 3.36Å; N741-K743 WeakPolarHBondContact O-CG 3.41Å; N741-K743 PolarHBondContact O-N 3.32Å; N741-K743 VanDerWaalsContact O-N 3.11Å; N741-K743 PolarHBondContact OD1-N 3Å |
| 744 | A | 82.7 | Confident | 85.6 | Confident | 11 Ų | 11 | 66.8 Ų | 66.8 | 9% | 0.091 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 148.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T704 V705 S739 | T704-A744 HydrophobicContact CG2-CB 3.8Å; V705-A744 CarbonylContact O-C 3.21Å; V705-A744 WeakPolarHBondContact O-CA 3.29Å; S739-A744 WeakPolarHBondContact CB-O 3.36Å; S739-A744 PolarHBondContact N-O 2.88Å |
| 745 | V | 85.7 | Confident | 85.5 | Confident | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.006 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 124.7 | 167.7 | 178.8 | 0 | 0 | 0 | 0 | 108.4 | V705 V707 M721 A736 L738 L767 | V705-V745 PolarHBondContact N-O 2.82Å; V705-V745 PolarHBondContact O-N 2.98Å; V707-V745 HydrophobicContact CG1-CG2 3.88Å; V707-V745 HydrophobicContact CG2-CG2 4.08Å; M721-V745 HydrophobicContact SD-CG1 4.23Å; M721-V745 HydrophobicContact SD-CG2 3.66Å; A736-V745 HydrophobicContact CB-CG1 3.56Å; L738-V745 HydrophobicContact CD1-CG2 4.07Å; V745-L767 HydrophobicContact CB-CD2 4.18Å; V745-L767 HydrophobicContact CG1-CD2 3.89Å; V745-L767 HydrophobicContact CG2-CD1 4.33Å |
| 746 | V | 88.6 | Confident | 85.3 | Confident | 49 Ų | 49 | 66.6 Ų | 66.6 | 30% | 0.297 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 113.8 | -177.9 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | I703 T704 A736 A737 | I703-V746 CarbonylContact O-C 3.59Å; T704-V746 HydrophobicContact CG2-CG2 4.23Å; A736-V746 CarbonylContact C-O 3.52Å; A736-V746 WeakPolarHBondContact CA-O 3.02Å; A737-V746 PolarHBondContact N-O 3.24Å; A737-V746 PolarHBondContact O-N 2.86Å |
| 747 | C | 90.4 | Very high | 85.2 | Confident | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.007 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 139.6 | 172.1 | -39.3 | 0 | 0 | 0 | 0 | 110.1 | I703 C723 V734 R735 | I703-C747 HydrophobicContact CB-CB 4.03Å; I703-C747 PolarHBondContact O-N 3.46Å; C723-C747 HydrophobicContact CB-CB 3.85Å; C723-C747 WeakPolarHBondContact CB-SG 3.26Å; C723-C747 WeakPolarHBondContact SG-CB 3.35Å; C723-C747 CovalentContact SG-SG 2.03Å; C723-C747 PolarHBondContact SG-SG 2.8Å; V734-C747 HydrophobicContact CG1-CB 4.08Å; R735-C747 WeakPolarHBondContact O-CA 3.37Å |
| 748 | E | 90.3 | Very high | 85.3 | Confident | 97 Ų | 97 | 73.6 Ų | 73.6 | 45% | 0.453 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 158.7 | 174.5 | -73 | 179.2 | 173.1 | 0 | 0 | 112.6 | V734 R735 Y750 | V734-E748 HydrophobicContact CG1-CB 3.88Å; V734-E748 VanDerWaalsContact CG1-O 3.29Å; V734-E748 WeakPolarHBondContact CG1-O 3.42Å; R735-E748 HydrophobicContact CB-CG 4.16Å; R735-E748 IonicContact NH1-OE1 3.65Å; R735-E748 IonicContact NH1-OE2 2.92Å; R735-E748 PolarHBondContact O-N 2.77Å; E748-Y750 PolarHBondContact O-N 3.05Å |
| 749 | Q | 89.1 | Confident | 85.6 | Confident | 132 Ų | 132 | 73.9 Ų | 73.9 | 62% | 0.617 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 127.4 | -178.8 | -167.7 | 177.3 | 14.9 | 0 | 0 | 111.3 | P700 T701 T702 | P700-Q749 HydrophobicContact CB-CG 3.77Å; P700-Q749 PolarHBondContact O-NE2 2.87Å; T701-Q749 WeakPolarHBondContact O-CA 3.36Å; T702-Q749 HydrophobicContact CG2-CB 3.81Å; T702-Q749 HydrophobicContact CG2-CG 4.27Å |
| 750 | Y | 91.3 | Very high | 86.1 | Confident | 104 Ų | 104 | 74.9 Ų | 74.9 | 41% | 0.408 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 149.3 | 179.9 | -168.4 | -96.9 | 0 | 0 | 0 | 111.4 | P700 T701 V732 V734 E748 Y752 | P700-Y750 WeakPolarHBondContact CA-O 3.39Å; T701-Y750 PolarHBondContact N-O 3.45Å; T701-Y750 PolarHBondContact O-N 2.87Å; T701-Y750 VanDerWaalsContact O-N 3.08Å; V732-Y750 HydrophobicContact CG1-CD1 3.98Å; V732-Y750 HydrophobicContact CG1-CE1 3.51Å; V732-Y750 HydrophobicContact CG1-CE2 4.41Å; V734-Y750 HydrophobicContact CG2-CD2 4.46Å; V734-Y750 HydrophobicContact CG2-CG 4.17Å; E748-Y750 PolarHBondContact O-N 3.05Å; Y750-Y752 AromaticContact CD1-CD1 3.73Å; Y750-Y752 HydrophobicContact CD1-CD1 3.73Å; Y750-Y752 HydrophobicContact CD1-CD2 4.15Å; Y750-Y752 AromaticContact CD1-CE1 3.67Å; Y750-Y752 HydrophobicContact CD1-CE1 3.67Å; Y750-Y752 HydrophobicContact CD1-CE2 4.11Å; Y750-Y752 AromaticContact CD1-CG 3.99Å; Y750-Y752 HydrophobicContact CD1-CG 3.99Å; Y750-Y752 AromaticContact CD1-CZ 3.88Å; Y750-Y752 HydrophobicContact CE1-CD1 4.18Å; Y750-Y752 HydrophobicContact CE1-CE1 4.37Å; Y750-Y752 HydrophobicContact CG-CE1 4.48Å; Y750-Y752 WeakPolarHBondContact O-CD2 3.3Å; Y750-Y752 WeakPolarHBondContact O-CE2 3.36Å |
| 751 | A | 90.1 | Very high | 86.7 | Confident | 41 Ų | 41 | 68.1 Ų | 68.1 | 34% | 0.339 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 109.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | P700 | P700-A751 HydrophobicContact CG-CB 4.2Å |
| 752 | Y | 90.7 | Very high | 87.4 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 0% | 0.004 | 36% | 0.357 | C | S | . | . | trans | -91.3 | 137.9 | -178.3 | -57 | -91.3 | 0 | 0 | 0 | 110.3 | L695 S698 I703 L725 I727 V732 Y750 | L695-Y752 HydrophobicContact CD1-CD2 3.51Å; L695-Y752 HydrophobicContact CD1-CE2 3.83Å; L695-Y752 HydrophobicContact CD1-CG 3.89Å; S698-Y752 PolarHBondContact N-O 3.19Å; I703-Y752 HydrophobicContact CD1-CE2 3.95Å; I703-Y752 VanDerWaalsContact CD1-OH 3.27Å; I703-Y752 WeakPolarHBondContact CD1-OH 3.34Å; I703-Y752 HydrophobicContact CG1-CE2 4.46Å; L725-Y752 HydrophobicContact CD1-CE1 3.98Å; L725-Y752 HydrophobicContact CD2-CE1 4.15Å; I727-Y752 HydrophobicContact CD1-CD1 3.88Å; V732-Y752 HydrophobicContact CG1-CE1 4.27Å; Y750-Y752 AromaticContact CD1-CD1 3.73Å; Y750-Y752 HydrophobicContact CD1-CD1 3.73Å; Y750-Y752 HydrophobicContact CD1-CD2 4.15Å; Y750-Y752 AromaticContact CD1-CE1 3.67Å; Y750-Y752 HydrophobicContact CD1-CE1 3.67Å; Y750-Y752 HydrophobicContact CD1-CE2 4.11Å; Y750-Y752 AromaticContact CD1-CG 3.99Å; Y750-Y752 HydrophobicContact CD1-CG 3.99Å; Y750-Y752 AromaticContact CD1-CZ 3.88Å; Y750-Y752 HydrophobicContact CE1-CD1 4.18Å; Y750-Y752 HydrophobicContact CE1-CE1 4.37Å; Y750-Y752 HydrophobicContact CG-CE1 4.48Å; Y750-Y752 WeakPolarHBondContact O-CD2 3.3Å; Y750-Y752 WeakPolarHBondContact O-CE2 3.36Å | ||
| 753 | T | 90.2 | Very high | 88.1 | Confident | 75 Ų | 75 | 61.2 Ų | 61.2 | 46% | 0.46 | 33% | 0.332 | S | S | . | . | trans | -144.3 | 157.9 | -177.7 | -168.8 | 0 | 0 | 0 | 0 | 112.3 | D697 S698 | D697-T753 VanDerWaalsContact OD1-CA 3.27Å; D697-T753 WeakPolarHBondContact OD1-CA 3.46Å; D697-T753 WeakPolarHBondContact OD1-CB 3.04Å; D697-T753 PolarHBondContact OD1-OG1 3.36Å; S698-T753 PolarHBondContact OG-OG1 3.39Å | ||
| 754 | Y | 91.6 | Very high | 88.4 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | trans | -148.5 | 146.3 | 179.3 | 71.2 | -84 | 0 | 0 | 0 | 113.3 | D697 A756 V758 P759 S760 I761 I782 K784 | D697-Y754 HydrophobicContact CB-CE1 4.32Å; Y754-A756 HydrophobicContact CD2-CB 4Å; Y754-A756 HydrophobicContact CE2-CB 4.35Å; Y754-A756 WeakPolarHBondContact CE2-O 3.41Å; Y754-V758 HydrophobicContact CE2-CG2 3.95Å; Y754-V758 PolarHBondContact OH-O 3.28Å; Y754-P759 PolarHBondContact OH-O 2.95Å; Y754-S760 PolarHBondContact OH-N 2.7Å; Y754-I761 HydrophobicContact CD1-CD1 3.94Å; Y754-I761 HydrophobicContact CD1-CG1 3.71Å; Y754-I761 HydrophobicContact CD2-CB 4.45Å; Y754-I761 HydrophobicContact CD2-CD1 4.11Å; Y754-I761 HydrophobicContact CD2-CG1 4.02Å; Y754-I761 HydrophobicContact CD2-CG2 3.58Å; Y754-I761 HydrophobicContact CE1-CG1 4.11Å; Y754-I761 HydrophobicContact CE2-CG1 4.4Å; Y754-I761 HydrophobicContact CE2-CG2 3.68Å; Y754-I761 HydrophobicContact CG-CD1 3.53Å; Y754-I761 HydrophobicContact CG-CG1 3.65Å; Y754-I761 HydrophobicContact CG-CG2 4.13Å; Y754-I782 HydrophobicContact CD1-CB 3.95Å; Y754-I782 HydrophobicContact CD1-CG2 3.63Å; Y754-I782 HydrophobicContact CE1-CB 4.07Å; Y754-I782 HydrophobicContact CE1-CG2 3.76Å; Y754-K784 HydrophobicContact CE1-CD 4.41Å; Y754-K784 HydrophobicContact CE1-CG 4.33Å; Y754-K784 HydrophobicContact CE2-CD 4.39Å; Y754-K784 PolarHBondContact O-NZ 3.49Å; Y754-K784 WeakPolarHBondContact OH-CD 3.43Å; Y754-K784 WeakPolarHBondContact OH-CG 3.4Å | ||
| 755 | D | 88.2 | Confident | 88.6 | Confident | 138 Ų | 138 | 58 Ų | 58 | 74% | 0.738 | 32% | 0.318 | S | S | * | . | trans | -84.3 | -27.5 | -171.9 | -72.5 | -26.3 | 0 | 0 | 0 | 113.6 | E728 | E728-D755 PolarHBondContact OE2-N 3.18Š| ||
| 756 | A | 84.2 | Confident | 88.7 | Confident | 32 Ų | 32 | 60.3 Ų | 60.3 | 26% | 0.264 | 33% | 0.328 | S | S | . | . | trans | -55.8 | 137.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E728 Y754 V758 K784 | E728-A756 PolarHBondContact OE1-N 3.11Å; Y754-A756 HydrophobicContact CD2-CB 4Å; Y754-A756 HydrophobicContact CE2-CB 4.35Å; Y754-A756 WeakPolarHBondContact CE2-O 3.41Å; A756-V758 HydrophobicContact CB-CG2 3.83Å; A756-V758 PolarHBondContact O-N 2.8Å; A756-K784 PolarHBondContact O-NZ 2.63Å | ||
| 757 | Q | 85.9 | Confident | 88.5 | Confident | 156 Ų | 156 | 58.1 Ų | 58.1 | 73% | 0.729 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -82.4 | 53.8 | 178.1 | -66.5 | -65.1 | -40.2 | 0 | 0 | 112.1 | ||
| 758 | V | 87.4 | Confident | 88.2 | Confident | 61 Ų | 61 | 59.2 Ų | 59.2 | 37% | 0.37 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -127.7 | 150.5 | 179.8 | -67.4 | 0 | 0 | 0 | 0 | 109.6 | Y754 A756 S760 I761 | Y754-V758 HydrophobicContact CE2-CG2 3.95Å; Y754-V758 PolarHBondContact OH-O 3.28Å; A756-V758 HydrophobicContact CB-CG2 3.83Å; A756-V758 PolarHBondContact O-N 2.8Å; V758-S760 WeakPolarHBondContact CG2-O 3.35Å; V758-S760 PolarHBondContact O-N 2.91Å; V758-I761 HydrophobicContact CG2-CG2 3.78Å |
| 759 | P | 86.3 | Confident | 87.5 | Confident | 61 Ų | 61 | 55.1 Ų | 55.1 | 40% | 0.396 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -62.8 | -22.7 | -178.1 | 22.1 | -32.2 | 0 | 0 | 0 | 114.2 | Y754 Y783 K784 M787 M788 | Y754-P759 PolarHBondContact OH-O 2.95Å; P759-Y783 WeakPolarHBondContact O-CA 3.48Å; P759-K784 PolarHBondContact O-N 3.04Å; P759-M787 HydrophobicContact CB-CB 4.34Å; P759-M788 HydrophobicContact CB-CG 3.96Å |
| 760 | S | 89.7 | Confident | 86.7 | Confident | 57 Ų | 57 | 51.8 Ų | 51.8 | 40% | 0.399 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 159.6 | 175.6 | 60.2 | 0 | 0 | 0 | 0 | 114.6 | Y754 V758 I782 | Y754-S760 PolarHBondContact OH-N 2.7Å; V758-S760 WeakPolarHBondContact CG2-O 3.35Å; V758-S760 PolarHBondContact O-N 2.91Å; S760-I782 CarbonylContact C-O 3.52Å; S760-I782 WeakPolarHBondContact CA-O 3.17Å; S760-I782 WeakPolarHBondContact CB-O 3.17Å |
| 761 | I | 90.7 | Very high | 85.7 | Confident | 30 Ų | 30 | 54.3 Ų | 54.3 | 15% | 0.154 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 151.1 | 172 | 64 | 156.3 | 0 | 0 | 0 | 112.4 | I727 Y754 V758 T781 I782 | I727-I761 HydrophobicContact CG2-CD1 3.97Å; Y754-I761 HydrophobicContact CD1-CD1 3.94Å; Y754-I761 HydrophobicContact CD1-CG1 3.71Å; Y754-I761 HydrophobicContact CD2-CB 4.45Å; Y754-I761 HydrophobicContact CD2-CD1 4.11Å; Y754-I761 HydrophobicContact CD2-CG1 4.02Å; Y754-I761 HydrophobicContact CD2-CG2 3.58Å; Y754-I761 HydrophobicContact CE1-CG1 4.11Å; Y754-I761 HydrophobicContact CE2-CG1 4.4Å; Y754-I761 HydrophobicContact CE2-CG2 3.68Å; Y754-I761 HydrophobicContact CG-CD1 3.53Å; Y754-I761 HydrophobicContact CG-CG1 3.65Å; Y754-I761 HydrophobicContact CG-CG2 4.13Å; V758-I761 HydrophobicContact CG2-CG2 3.78Å; I761-T781 CarbonylContact O-C 3.52Å; I761-T781 WeakPolarHBondContact O-CA 3.38Å; I761-I782 HydrophobicContact CD1-CD1 4.16Å; I761-I782 HydrophobicContact CG1-CB 4Å; I761-I782 HydrophobicContact CG1-CD1 4.36Å; I761-I782 HydrophobicContact CG1-CG1 4.49Å; I761-I782 PolarHBondContact N-O 3.47Å; I761-I782 PolarHBondContact O-N 2.84Å |
| 762 | S | 88.8 | Confident | 84.7 | Confident | 66 Ų | 66 | 54 Ų | 54 | 46% | 0.462 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 135.6 | 178 | -66.5 | 0 | 0 | 0 | 0 | 113.3 | K779 V780 T781 | S762-K779 WeakPolarHBondContact OG-CE 3.46Å; S762-K779 PolarHBondContact OG-NZ 2.8Å; S762-V780 CarbonylContact C-O 3.46Å; S762-V780 VanDerWaalsContact CA-O 3.32Å; S762-V780 WeakPolarHBondContact CA-O 3.07Å; S762-T781 PolarHBondContact OG-OG1 2.92Å |
| 763 | V | 88.2 | Confident | 83.8 | Confident | 20 Ų | 20 | 56.5 Ų | 56.5 | 12% | 0.121 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 157.8 | -177.9 | -65.4 | 0 | 0 | 0 | 0 | 113.2 | L725 I727 V780 | L725-V763 HydrophobicContact CD2-CG2 4.01Å; I727-V763 HydrophobicContact CG1-CG1 4.21Å; I727-V763 HydrophobicContact CG1-CG2 4.3Å; V763-V780 HydrophobicContact CG2-CB 4.07Å; V763-V780 PolarHBondContact N-O 3.08Å; V763-V780 PolarHBondContact O-N 2.83Å |
| 764 | E | 85.9 | Confident | 83.2 | Confident | 92 Ų | 92 | 56.5 Ų | 56.5 | 43% | 0.43 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 131.9 | 175.1 | -63.4 | -168.1 | 145.8 | 0 | 0 | 111.5 | F766 K777 | E764-F766 HydrophobicContact CB-CE2 4.07Å; E764-F766 HydrophobicContact CB-CZ 4.4Å; E764-F766 WeakPolarHBondContact OE2-CZ 3.36Å; E764-K777 IonicContact OE1-NZ 3.07Å; E764-K777 PolarHBondContact OE1-NZ 2.77Å; E764-K777 IonicContact OE2-NZ 3.85Å; E764-K777 PolarHBondContact OE2-NZ 2.55Å |
| 765 | L | 87.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 122.5 | 173.1 | -179.1 | 158.8 | 0 | 0 | 0 | 109.5 | I703 V705 C723 V724 L725 L767 K777 V778 V780 | I703-L765 HydrophobicContact CD1-CD1 3.68Å; I703-L765 HydrophobicContact CG2-CD1 4.04Å; V705-L765 HydrophobicContact CG2-CD2 4.35Å; C723-L765 HydrophobicContact CB-CD1 4.24Å; C723-L765 HydrophobicContact CB-CD2 4.11Å; C723-L765 HydrophobicContact CB-CG 4.26Å; V724-L765 WeakPolarHBondContact O-CA 3.34Å; L725-L765 HydrophobicContact CD1-CB 4.37Å; L725-L765 HydrophobicContact CD1-CD1 3.74Å; L725-L765 HydrophobicContact CD1-CG 3.89Å; L725-L765 HydrophobicContact CD2-CB 4.06Å; L725-L765 HydrophobicContact CD2-CD1 4.1Å; L725-L765 HydrophobicContact CD2-CG 4.38Å; L725-L765 HydrophobicContact CG-CB 3.81Å; L725-L765 HydrophobicContact CG-CD1 4.02Å; L725-L765 HydrophobicContact CG-CG 3.9Å; L765-L767 HydrophobicContact CD2-CD2 4.05Å; L765-K777 CarbonylContact O-C 3.1Å; L765-K777 VanDerWaalsContact O-CA 3.25Å; L765-K777 WeakPolarHBondContact O-CA 3.38Å; L765-V778 HydrophobicContact CB-CG1 3.76Å; L765-V778 HydrophobicContact CD1-CG1 4.48Å; L765-V778 HydrophobicContact CD2-CG1 3.74Å; L765-V778 HydrophobicContact CG-CG1 4.19Å; L765-V778 PolarHBondContact N-O 2.86Å; L765-V778 PolarHBondContact O-N 3.5Å; L765-V780 HydrophobicContact CB-CG2 3.8Å; L765-V780 HydrophobicContact CD1-CG2 4.08Å |
| 766 | F | 86.7 | Confident | 82.1 | Confident | 50 Ų | 50 | 51.7 Ų | 51.7 | 22% | 0.219 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 136.5 | 178.3 | -67 | -86 | 0 | 0 | 0 | 111.8 | V724 E764 M774 K777 | V724-F766 HydrophobicContact CB-CB 4.46Å; V724-F766 PolarHBondContact N-O 2.94Å; V724-F766 PolarHBondContact O-N 2.79Å; E764-F766 HydrophobicContact CB-CE2 4.07Å; E764-F766 HydrophobicContact CB-CZ 4.4Å; E764-F766 WeakPolarHBondContact OE2-CZ 3.36Å; F766-M774 HydrophobicContact CB-CE 3.55Å; F766-M774 HydrophobicContact CD1-CE 3.21Å; F766-M774 HydrophobicContact CD2-CE 4.28Å; F766-M774 HydrophobicContact CE1-CE 3.91Å; F766-M774 HydrophobicContact CG-CE 3.42Å; F766-M774 VanDerWaalsContact CG-CE 3.42Å; F766-K777 HydrophobicContact CD1-CB 3.76Å; F766-K777 HydrophobicContact CE1-CB 3.92Å; F766-K777 HydrophobicContact CE1-CD 3.88Å; F766-K777 HydrophobicContact CG-CB 4.46Å; F766-K777 HydrophobicContact CZ-CD 4.37Å |
| 767 | L | 85.7 | Confident | 82.1 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 115.1 | 169 | -62.2 | -179.2 | 0 | 0 | 0 | 109.2 | V685 V705 V707 V745 L765 I775 D776 | V685-L767 HydrophobicContact CG2-CD1 4Å; V705-L767 HydrophobicContact CG1-CD1 4.06Å; V705-L767 HydrophobicContact CG2-CD2 4.49Å; V707-L767 HydrophobicContact CG1-CD1 3.73Å; V745-L767 HydrophobicContact CB-CD2 4.18Å; V745-L767 HydrophobicContact CG1-CD2 3.89Å; V745-L767 HydrophobicContact CG2-CD1 4.33Å; L765-L767 HydrophobicContact CD2-CD2 4.05Å; L767-I775 HydrophobicContact CB-CB 4.23Å; L767-I775 PolarHBondContact O-N 2.79Å; L767-D776 PolarHBondContact N-O 2.91Å |
| 768 | Q | 82.5 | Confident | 82 | Confident | 24 Ų | 24 | 47.2 Ų | 47.2 | 11% | 0.112 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 136.7 | -173.4 | -174.8 | 174.9 | 53.1 | 0 | 0 | 110.7 | L722 V724 R733 G772 M774 | L722-Q768 HydrophobicContact CB-CB 4.41Å; L722-Q768 PolarHBondContact N-O 2.02Å; L722-Q768 PolarHBondContact O-N 2.93Å; V724-Q768 HydrophobicContact CG2-CB 4.19Å; R733-Q768 VanDerWaalsContact NH2-OE1 3.08Å; Q768-G772 PolarHBondContact NE2-O 2.55Å; Q768-M774 HydrophobicContact CB-SD 4.18Å; Q768-M774 HydrophobicContact CG-SD 4.01Å |
| 769 | T | 77 | Confident | 81.8 | Confident | 11 Ų | 11 | 49 Ų | 49 | 7% | 0.067 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 157.5 | 166.8 | 64.8 | 0 | 0 | 0 | 0 | 110.6 | L715 K771 G772 T773 I775 | L715-T769 HydrophobicContact CD2-CG2 4.09Å; T769-K771 PolarHBondContact O-N 2.88Å; T769-G772 PolarHBondContact O-N 2.8Å; T769-T773 PolarHBondContact N-O 2.71Å; T769-T773 VanDerWaalsContact OG1-CB 3.27Å; T769-T773 WeakPolarHBondContact OG1-CB 3.34Å; T769-T773 PolarHBondContact OG1-N 2.86Å; T769-T773 VanDerWaalsContact OG1-N 3.1Å; T769-T773 PolarHBondContact OG1-O 2.96Å; T769-T773 PolarHBondContact OG1-OG1 3.44Å; T769-I775 HydrophobicContact CG2-CD1 3.86Å; T769-I775 HydrophobicContact CG2-CG1 4.08Å |
| 770 | T | 72.3 | Confident | 81.9 | Confident | 62 Ų | 62 | 46 Ų | 46 | 38% | 0.38 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -24 | 172.2 | 43.6 | 0 | 0 | 0 | 0 | 114.6 | D718 R720 G772 | D718-T770 PolarHBondContact OD2-OG1 2.88Å; R720-T770 HydrophobicContact CB-CG2 3.62Å; T770-G772 VanDerWaalsContact C-N 3.28Å |
| 771 | K | 69.1 | Low | 81.9 | Confident | 156 Ų | 156 | 43.7 Ų | 43.7 | 68% | 0.678 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -1.2 | 176.2 | -68.7 | -174 | 178.4 | 178.4 | 0 | 114.3 | T769 T773 | T769-K771 PolarHBondContact O-N 2.88Å; K771-T773 VanDerWaalsContact C-N 3.35Å |
| 772 | G | 70.9 | Confident | 82 | Confident | 36 Ų | 36 | 42.3 Ų | 42.3 | 37% | 0.371 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 89.4 | -3.5 | -180 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q768 T769 T770 M774 | Q768-G772 PolarHBondContact NE2-O 2.55Å; T769-G772 PolarHBondContact O-N 2.8Å; T770-G772 VanDerWaalsContact C-N 3.28Å; G772-M774 PolarHBondContact O-N 3.42Å |
| 773 | T | 71.9 | Confident | 82.1 | Confident | 53 Ų | 53 | 39.5 Ų | 39.5 | 33% | 0.325 | 20% | 0.202 | S | C | . | . | trans | -66.4 | 123.2 | 176 | -36.8 | 0 | 0 | 0 | 0 | 109.9 | T769 K771 | T769-T773 PolarHBondContact N-O 2.71Å; T769-T773 VanDerWaalsContact OG1-CB 3.27Å; T769-T773 WeakPolarHBondContact OG1-CB 3.34Å; T769-T773 PolarHBondContact OG1-N 2.86Å; T769-T773 VanDerWaalsContact OG1-N 3.1Å; T769-T773 PolarHBondContact OG1-O 2.96Å; T769-T773 PolarHBondContact OG1-OG1 3.44Å; K771-T773 VanDerWaalsContact C-N 3.35Å | ||
| 774 | M | 76.4 | Confident | 82.3 | Confident | 75 Ų | 75 | 39.8 Ų | 39.8 | 37% | 0.369 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 127.4 | 179 | -58.3 | -66.2 | -84.8 | 0 | 0 | 108.9 | L637 F766 Q768 G772 | L637-M774 HydrophobicContact CD2-CB 4.18Å; F766-M774 HydrophobicContact CB-CE 3.55Å; F766-M774 HydrophobicContact CD1-CE 3.21Å; F766-M774 HydrophobicContact CD2-CE 4.28Å; F766-M774 HydrophobicContact CE1-CE 3.91Å; F766-M774 HydrophobicContact CG-CE 3.42Å; F766-M774 VanDerWaalsContact CG-CE 3.42Å; Q768-M774 HydrophobicContact CB-SD 4.18Å; Q768-M774 HydrophobicContact CG-SD 4.01Å; G772-M774 PolarHBondContact O-N 3.42Å |
| 775 | I | 77.8 | Confident | 82.5 | Confident | 17 Ų | 17 | 35.7 Ų | 35.7 | 9% | 0.087 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | -62.7 | -177.8 | -55.5 | 174.8 | 0 | 0 | 0 | 109.1 | P683 L710 L713 L767 T769 | P683-I775 HydrophobicContact CB-CG2 4.1Å; L710-I775 HydrophobicContact CD1-CG2 4.11Å; L710-I775 HydrophobicContact CD2-CD1 4.49Å; L713-I775 HydrophobicContact CD1-CG1 4.46Å; L713-I775 HydrophobicContact CD1-CG2 4.37Å; L767-I775 HydrophobicContact CB-CB 4.23Å; L767-I775 PolarHBondContact O-N 2.79Å; T769-I775 HydrophobicContact CG2-CD1 3.86Å; T769-I775 HydrophobicContact CG2-CG1 4.08Å |
| 776 | D | 79.6 | Confident | 82.5 | Confident | 23 Ų | 23 | 42.1 Ų | 42.1 | 12% | 0.123 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | -176.3 | 179.3 | -159.2 | 3.6 | 0 | 0 | 0 | 111.6 | H684 V685 L767 | H684-D776 WeakPolarHBondContact CA-OD2 3.44Å; H684-D776 WeakPolarHBondContact CB-OD2 3.24Å; V685-D776 HydrophobicContact CG2-CB 3.94Å; V685-D776 PolarHBondContact N-OD2 3.43Å; L767-D776 PolarHBondContact N-O 2.91Å |
| 777 | K | 83.5 | Confident | 82.5 | Confident | 79 Ų | 79 | 44.4 Ų | 44.4 | 34% | 0.343 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 155.7 | -174.8 | 65.6 | 175.4 | -173.4 | 163.9 | 0 | 115.8 | E764 L765 F766 | E764-K777 IonicContact OE1-NZ 3.07Å; E764-K777 PolarHBondContact OE1-NZ 2.77Å; E764-K777 IonicContact OE2-NZ 3.85Å; E764-K777 PolarHBondContact OE2-NZ 2.55Å; L765-K777 CarbonylContact O-C 3.1Å; L765-K777 VanDerWaalsContact O-CA 3.25Å; L765-K777 WeakPolarHBondContact O-CA 3.38Å; F766-K777 HydrophobicContact CD1-CB 3.76Å; F766-K777 HydrophobicContact CE1-CB 3.92Å; F766-K777 HydrophobicContact CE1-CD 3.88Å; F766-K777 HydrophobicContact CG-CB 4.46Å; F766-K777 HydrophobicContact CZ-CD 4.37Å |
| 778 | V | 83.3 | Confident | 82.6 | Confident | 15 Ų | 15 | 46.8 Ų | 46.8 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 157 | 178 | 70 | 0 | 0 | 0 | 0 | 113 | F691 V705 L765 | F691-V778 HydrophobicContact CD1-CG2 3.6Å; F691-V778 HydrophobicContact CE1-CG2 4.07Å; V705-V778 HydrophobicContact CG1-CG1 4.4Å; V705-V778 HydrophobicContact CG2-CG1 4.12Å; L765-V778 HydrophobicContact CB-CG1 3.76Å; L765-V778 HydrophobicContact CD1-CG1 4.48Å; L765-V778 HydrophobicContact CD2-CG1 3.74Å; L765-V778 HydrophobicContact CG-CG1 4.19Å; L765-V778 PolarHBondContact N-O 2.86Å; L765-V778 PolarHBondContact O-N 3.5Å |
| 779 | K | 84.5 | Confident | 82.7 | Confident | 98 Ų | 98 | 46.3 Ų | 46.3 | 43% | 0.426 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 137.4 | -178.9 | -166.5 | -172.4 | 176.3 | -136.2 | 0 | 112.3 | E692 V693 S762 | E692-K779 IonicContact OE1-NZ 2.66Å; E692-K779 PolarHBondContact OE1-NZ 2.79Å; V693-K779 PolarHBondContact N-O 3.42Å; S762-K779 WeakPolarHBondContact OG-CE 3.46Å; S762-K779 PolarHBondContact OG-NZ 2.8Å |
| 780 | V | 87.7 | Confident | 83.1 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 137 | -177.2 | -177.8 | 0 | 0 | 0 | 0 | 110.4 | V693 L695 L725 S762 V763 L765 | V693-V780 HydrophobicContact CB-CB 4.42Å; V693-V780 HydrophobicContact CB-CG1 4.24Å; V693-V780 HydrophobicContact CB-CG2 4.13Å; V693-V780 HydrophobicContact CG1-CG1 4.36Å; V693-V780 HydrophobicContact CG2-CG2 4.47Å; V693-V780 CarbonylContact O-C 3.52Å; V693-V780 WeakPolarHBondContact O-CA 3Å; L695-V780 HydrophobicContact CD1-CG1 3.26Å; L695-V780 HydrophobicContact CG-CG1 3.84Å; L725-V780 HydrophobicContact CD2-CB 4.32Å; L725-V780 HydrophobicContact CD2-CG1 4.37Å; L725-V780 HydrophobicContact CD2-CG2 4.14Å; S762-V780 CarbonylContact C-O 3.46Å; S762-V780 VanDerWaalsContact CA-O 3.32Å; S762-V780 WeakPolarHBondContact CA-O 3.07Å; V763-V780 HydrophobicContact CG2-CB 4.07Å; V763-V780 PolarHBondContact N-O 3.08Å; V763-V780 PolarHBondContact O-N 2.83Å; L765-V780 HydrophobicContact CB-CG2 3.8Å; L765-V780 HydrophobicContact CD1-CG2 4.08Å |
| 781 | T | 90.7 | Very high | 83.9 | Confident | 8 Ų | 8 | 48.2 Ų | 48.2 | 5% | 0.049 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 128 | -179.1 | -71.9 | 0 | 0 | 0 | 0 | 112 | E692 V693 L694 L695 I761 S762 | E692-T781 PolarHBondContact OE1-OG1 3.42Å; V693-T781 PolarHBondContact O-N 3.31Å; L694-T781 CarbonylContact C-O 3.6Å; L694-T781 WeakPolarHBondContact CA-O 3.42Å; L694-T781 HydrophobicContact CD2-CG2 4.16Å; L695-T781 PolarHBondContact N-O 2.79Å; I761-T781 CarbonylContact O-C 3.52Å; I761-T781 WeakPolarHBondContact O-CA 3.38Å; S762-T781 PolarHBondContact OG-OG1 2.92Å |
| 782 | I | 91.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 135.4 | -177.3 | -49.1 | 166.7 | 0 | 0 | 0 | 109.4 | L695 D697 I727 Y754 S760 I761 | L695-I782 HydrophobicContact CB-CG1 4.31Å; L695-I782 HydrophobicContact CD1-CG1 4.48Å; L695-I782 CarbonylContact O-C 3.58Å; L695-I782 WeakPolarHBondContact O-CA 3.18Å; D697-I782 HydrophobicContact CB-CG2 4.28Å; I727-I782 HydrophobicContact CD1-CD1 3.84Å; I727-I782 HydrophobicContact CG1-CD1 4.44Å; Y754-I782 HydrophobicContact CD1-CB 3.95Å; Y754-I782 HydrophobicContact CD1-CG2 3.63Å; Y754-I782 HydrophobicContact CE1-CB 4.07Å; Y754-I782 HydrophobicContact CE1-CG2 3.76Å; S760-I782 CarbonylContact C-O 3.52Å; S760-I782 WeakPolarHBondContact CA-O 3.17Å; S760-I782 WeakPolarHBondContact CB-O 3.17Å; I761-I782 HydrophobicContact CD1-CD1 4.16Å; I761-I782 HydrophobicContact CG1-CB 4Å; I761-I782 HydrophobicContact CG1-CD1 4.36Å; I761-I782 HydrophobicContact CG1-CG1 4.49Å; I761-I782 PolarHBondContact N-O 3.47Å; I761-I782 PolarHBondContact O-N 2.84Å |
| 783 | Y | 92.6 | Very high | 85.6 | Confident | 7 Ų | 7 | 39.1 Ų | 39.1 | 3% | 0.027 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 158.3 | -169.3 | 67.2 | -89.5 | 0 | 0 | 0 | 116.8 | L694 L695 P696 D697 P759 F802 | L694-Y783 HydrophobicContact CB-CE1 4.14Å; L695-Y783 WeakPolarHBondContact O-CD1 3.25Å; L695-Y783 WeakPolarHBondContact O-CE1 3.45Å; L695-Y783 PolarHBondContact O-N 2.95Å; P696-Y783 HydrophobicContact CB-CE1 4.26Å; P696-Y783 HydrophobicContact CB-CE2 4.2Å; P696-Y783 VanDerWaalsContact N-CE1 3.33Å; D697-Y783 VanDerWaalsContact CB-O 3.31Å; D697-Y783 WeakPolarHBondContact CB-O 3.46Å; D697-Y783 PolarHBondContact N-O 3.38Å; P759-Y783 WeakPolarHBondContact O-CA 3.48Å; Y783-F802 AromaticContact CD1-CD1 3.86Å; Y783-F802 HydrophobicContact CD1-CD1 3.86Å; Y783-F802 HydrophobicContact CD1-CE1 4.31Å; Y783-F802 HydrophobicContact CD2-CB 4.27Å; Y783-F802 AromaticContact CD2-CD1 3.7Å; Y783-F802 HydrophobicContact CD2-CD1 3.7Å; Y783-F802 HydrophobicContact CD2-CG 4.41Å; Y783-F802 HydrophobicContact CE1-CD1 4.12Å; Y783-F802 HydrophobicContact CE2-CB 3.89Å; Y783-F802 AromaticContact CE2-CD1 3.98Å; Y783-F802 HydrophobicContact CE2-CD1 3.98Å; Y783-F802 HydrophobicContact CE2-CG 4.44Å; Y783-F802 WeakPolarHBondContact CE2-O 3.41Å; Y783-F802 AromaticContact CG-CD1 3.64Å; Y783-F802 HydrophobicContact CG-CD1 3.64Å; Y783-F802 HydrophobicContact CG-CE1 4.14Å; Y783-F802 PolarHBondContact OH-O 2.97Å |
| 784 | K | 91.2 | Very high | 86.4 | Confident | 27 Ų | 27 | 40.8 Ų | 40.8 | 12% | 0.117 | 20% | 0.203 | C | C | . | . | trans | -127.4 | 106.8 | -179 | -69 | 171.5 | -178.2 | 167 | 0 | 113.2 | D697 Y754 A756 P759 Q786 M787 | D697-K784 HydrophobicContact CB-CG 3.83Å; D697-K784 WeakPolarHBondContact OD2-CE 3.3Å; Y754-K784 HydrophobicContact CE1-CD 4.41Å; Y754-K784 HydrophobicContact CE1-CG 4.33Å; Y754-K784 HydrophobicContact CE2-CD 4.39Å; Y754-K784 PolarHBondContact O-NZ 3.49Å; Y754-K784 WeakPolarHBondContact OH-CD 3.43Å; Y754-K784 WeakPolarHBondContact OH-CG 3.4Å; A756-K784 PolarHBondContact O-NZ 2.63Å; P759-K784 PolarHBondContact O-N 3.04Å; K784-Q786 PolarHBondContact O-N 2.83Å; K784-M787 PolarHBondContact O-N 3.2Å | ||
| 785 | C | 89.8 | Confident | 87 | Confident | 6 Ų | 6 | 37.4 Ų | 37.4 | 4% | 0.041 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -58.5 | -40.4 | -176.1 | -70.1 | 0 | 0 | 0 | 0 | 115.3 | M787 M788 C804 C811 | C785-M787 PolarHBondContact O-N 3.28Å; C785-M787 VanDerWaalsContact O-N 3.08Å; C785-M788 WeakPolarHBondContact O-CB 3.44Å; C785-M788 PolarHBondContact O-N 3.33Å; C785-C804 VanDerWaalsContact CA-SG 3.54Å; C785-C804 HydrophobicContact CB-CB 3.79Å; C785-C804 WeakPolarHBondContact CB-SG 3.25Å; C785-C804 WeakPolarHBondContact SG-CA 3.27Å; C785-C804 WeakPolarHBondContact SG-CB 3.43Å; C785-C804 CovalentContact SG-SG 2.04Å; C785-C804 PolarHBondContact SG-SG 3.12Å; C785-C811 CarbonylContact C-O 3.59Å |
| 786 | Q | 88.4 | Confident | 87.4 | Confident | 135 Ų | 135 | 38 Ų | 38 | 63% | 0.631 | 19% | 0.19 | S | C | * | . | G | 310 helix | trans | -59.7 | -21 | -178.8 | 65.8 | -171.3 | -9.9 | 0 | 0 | 114.9 | K784 C811 | K784-Q786 PolarHBondContact O-N 2.83Å; Q786-C811 WeakPolarHBondContact CA-O 3.3Å; Q786-C811 PolarHBondContact N-O 3.05Å |
| 787 | M | 87.9 | Confident | 87.8 | Confident | 98 Ų | 98 | 41.1 Ų | 41.1 | 48% | 0.483 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -97.8 | -2.7 | 179.1 | -65.1 | -65 | -76.9 | 0 | 0 | 112.6 | P759 K784 C785 | P759-M787 HydrophobicContact CB-CB 4.34Å; K784-M787 PolarHBondContact O-N 3.2Å; C785-M787 PolarHBondContact O-N 3.28Å; C785-M787 VanDerWaalsContact O-N 3.08Å |
| 788 | M | 87.1 | Confident | 88 | Confident | 52 Ų | 52 | 39.3 Ų | 39.3 | 26% | 0.256 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | -25 | -174.9 | -64.7 | 175.9 | 68.7 | 0 | 0 | 113.2 | P759 C785 L798 F802 | P759-M788 HydrophobicContact CB-CG 3.96Å; C785-M788 WeakPolarHBondContact O-CB 3.44Å; C785-M788 PolarHBondContact O-N 3.33Å; M788-L798 HydrophobicContact CB-CD1 3.67Å; M788-L798 HydrophobicContact CB-CD2 3.98Å; M788-L798 HydrophobicContact CE-CD2 4.17Å; M788-F802 HydrophobicContact CE-CD1 4.22Å; M788-F802 HydrophobicContact CE-CD2 3.69Å; M788-F802 HydrophobicContact CE-CE1 4.26Å; M788-F802 HydrophobicContact CE-CE2 3.75Å; M788-F802 HydrophobicContact CE-CG 3.95Å; M788-F802 HydrophobicContact CE-CZ 4.03Å |
| 789 | A | 84.9 | Confident | 88 | Confident | 14 Ų | 14 | 42.7 Ų | 42.7 | 12% | 0.116 | 22% | 0.218 | C | C | . | . | trans | -153.2 | 143.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R794 C795 L798 C811 | A789-R794 HydrophobicContact CB-CB 4.01Å; A789-C795 VanDerWaalsContact CB-CA 3.44Å; A789-C795 HydrophobicContact CB-CB 3.86Å; A789-L798 HydrophobicContact CB-CD1 4.06Å; A789-L798 HydrophobicContact CB-CG 4.4Å; A789-C811 HydrophobicContact CB-CB 4.26Å | ||
| 790 | S | 85.7 | Confident | 87.9 | Confident | 95 Ų | 95 | 42 Ų | 42 | 66% | 0.664 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -105.8 | -21.1 | -175.7 | 53.8 | 0 | 0 | 0 | 0 | 115.7 | ||
| 791 | D | 88.2 | Confident | 87.6 | Confident | 19 Ų | 19 | 47.1 Ų | 47.1 | 10% | 0.102 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -128.2 | 164.5 | 179.9 | 63.5 | 90.8 | 0 | 0 | 0 | 110 | S793 R794 C795 W806 S885 | D791-S793 PolarHBondContact O-N 3.44Å; D791-S793 PolarHBondContact OD1-N 3.38Å; D791-R794 PolarHBondContact O-N 3.35Å; D791-R794 PolarHBondContact OD1-N 2.88Å; D791-R794 WeakPolarHBondContact OD2-CD 3.4Å; D791-R794 VanDerWaalsContact OD2-CG 3.25Å; D791-R794 WeakPolarHBondContact OD2-CG 3.32Å; D791-R794 IonicContact OD2-NE 3.67Å; D791-C795 PolarHBondContact O-N 3.35Å; D791-W806 VanDerWaalsContact C-CH2 3.49Å; D791-W806 WeakPolarHBondContact O-CZ3 3.43Å; D791-S885 VanDerWaalsContact CG-OG 3.31Å; D791-S885 WeakPolarHBondContact OD1-CB 3.08Å; D791-S885 PolarHBondContact OD1-OG 2.97Å |
| 792 | C | 87.7 | Confident | 87.4 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.7 | -46.9 | -172.3 | 177.4 | 0 | 0 | 0 | 0 | 111.4 | R794 C795 L796 W806 C831 D858 | C792-R794 VanDerWaalsContact C-N 3.32Å; C792-R794 PolarHBondContact O-N 2.76Å; C792-C795 PolarHBondContact O-N 3.22Å; C792-C795 VanDerWaalsContact O-N 3.12Å; C792-L796 VanDerWaalsContact O-CG 3.28Å; C792-L796 WeakPolarHBondContact O-CG 2.84Å; C792-L796 PolarHBondContact O-N 2.99Å; C792-W806 HydrophobicContact CB-CD2 3.7Å; C792-W806 HydrophobicContact CB-CE3 4.22Å; C792-W806 HydrophobicContact CB-CG 3.97Å; C792-W806 HydrophobicContact CB-CH2 4.45Å; C792-W806 HydrophobicContact CB-CZ2 3.97Å; C792-C831 VanDerWaalsContact C-SG 3.56Å; C792-C831 HydrophobicContact CB-CB 3.57Å; C792-C831 WeakPolarHBondContact CB-SG 3.31Å; C792-C831 WeakPolarHBondContact SG-CA 3.4Å; C792-C831 WeakPolarHBondContact SG-CB 3.11Å; C792-C831 PolarHBondContact SG-N 2.65Å; C792-C831 CovalentContact SG-SG 2.04Å; C792-C831 PolarHBondContact SG-SG 3.02Å; C792-D858 WeakPolarHBondContact CB-OD1 3.21Å; C792-D858 PolarHBondContact N-OD1 3.22Å |
| 793 | S | 87.6 | Confident | 87.2 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.1 | -37.8 | -175.4 | -59.9 | 0 | 0 | 0 | 0 | 112.3 | D791 D797 G860 | D791-S793 PolarHBondContact O-N 3.44Å; D791-S793 PolarHBondContact OD1-N 3.38Å; S793-D797 PolarHBondContact O-N 3.26Å; S793-G860 WeakPolarHBondContact CB-O 3.3Å; S793-G860 PolarHBondContact OG-O 2.69Å |
| 794 | R | 89 | Confident | 87 | Confident | 89 Ų | 89 | 52.5 Ų | 52.5 | 34% | 0.336 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -70.3 | -35.6 | 172.9 | -71.1 | -172.5 | -178.8 | 169.6 | -8.8 | 113.8 | A789 D791 C792 L796 D797 L798 T884 E886 | A789-R794 HydrophobicContact CB-CB 4.01Å; D791-R794 PolarHBondContact O-N 3.35Å; D791-R794 PolarHBondContact OD1-N 2.88Å; D791-R794 WeakPolarHBondContact OD2-CD 3.4Å; D791-R794 VanDerWaalsContact OD2-CG 3.25Å; D791-R794 WeakPolarHBondContact OD2-CG 3.32Å; D791-R794 IonicContact OD2-NE 3.67Å; C792-R794 VanDerWaalsContact C-N 3.32Å; C792-R794 PolarHBondContact O-N 2.76Å; R794-L796 VanDerWaalsContact C-N 3.29Å; R794-L796 PolarHBondContact O-N 3.39Å; R794-D797 PolarHBondContact O-N 3.13Å; R794-L798 PolarHBondContact O-N 2.99Å; R794-T884 HydrophobicContact CG-CG2 4.48Å; R794-T884 PolarHBondContact NE-O 2.66Å; R794-E886 IonicContact NH2-OE2 2.73Å; R794-E886 PolarHBondContact NH2-OE2 2.81Å |
| 795 | C | 88.9 | Confident | 86.7 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.02 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 176.1 | -176.8 | 0 | 0 | 0 | 0 | 111.5 | A789 D791 C792 D797 L798 A805 W806 C811 | A789-C795 VanDerWaalsContact CB-CA 3.44Å; A789-C795 HydrophobicContact CB-CB 3.86Å; D791-C795 PolarHBondContact O-N 3.35Å; C792-C795 PolarHBondContact O-N 3.22Å; C792-C795 VanDerWaalsContact O-N 3.12Å; C795-D797 PolarHBondContact O-N 2.73Å; C795-L798 PolarHBondContact O-N 3.48Å; C795-A805 VanDerWaalsContact SG-C 3.53Å; C795-W806 HydrophobicContact CB-CB 4.41Å; C795-W806 HydrophobicContact CB-CD2 4.49Å; C795-W806 HydrophobicContact CB-CE3 3.58Å; C795-W806 HydrophobicContact CB-CZ3 4.25Å; C795-C811 HydrophobicContact CB-CB 3.67Å; C795-C811 WeakPolarHBondContact CB-SG 3.07Å; C795-C811 WeakPolarHBondContact SG-CA 2.89Å; C795-C811 WeakPolarHBondContact SG-CB 3.14Å; C795-C811 CovalentContact SG-SG 2.04Å; C795-C811 PolarHBondContact SG-SG 3.42Å |
| 796 | L | 86.7 | Confident | 86.5 | Confident | 31 Ų | 31 | 52.8 Ų | 52.8 | 16% | 0.162 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -14.2 | 176.3 | -63.1 | -169.7 | 0 | 0 | 0 | 113.8 | C792 R794 W806 Q826 S827 C831 I861 | C792-L796 VanDerWaalsContact O-CG 3.28Å; C792-L796 WeakPolarHBondContact O-CG 2.84Å; C792-L796 PolarHBondContact O-N 2.99Å; R794-L796 VanDerWaalsContact C-N 3.29Å; R794-L796 PolarHBondContact O-N 3.39Å; L796-W806 HydrophobicContact CD2-CB 4.3Å; L796-Q826 HydrophobicContact CD2-CB 3.69Å; L796-Q826 HydrophobicContact CD2-CG 4.42Å; L796-S827 WeakPolarHBondContact CD1-O 3.42Å; L796-C831 WeakPolarHBondContact CD1-SG 3.09Å; L796-I861 HydrophobicContact CB-CD1 3.8Å; L796-I861 HydrophobicContact CB-CG1 4.2Å; L796-I861 HydrophobicContact CD1-CD1 3.66Å; L796-I861 HydrophobicContact CD1-CG1 4.43Å; L796-I861 HydrophobicContact CG-CD1 4.39Å |
| 797 | D | 88 | Confident | 86.2 | Confident | 87 Ų | 87 | 47 Ų | 47 | 47% | 0.465 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -7 | 176.9 | -162.4 | 41.4 | 0 | 0 | 0 | 113.1 | S793 R794 C795 I861 T884 | S793-D797 PolarHBondContact O-N 3.26Å; R794-D797 PolarHBondContact O-N 3.13Å; C795-D797 PolarHBondContact O-N 2.73Å; D797-I861 HydrophobicContact CB-CG2 4.32Å; D797-T884 HydrophobicContact CB-CG2 4.13Å |
| 798 | L | 86.7 | Confident | 85.7 | Confident | 42 Ų | 42 | 48.1 Ų | 48.1 | 22% | 0.22 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -66.6 | 149.2 | 176.4 | -64.3 | 178.1 | 0 | 0 | 0 | 112.1 | M788 A789 R794 C795 A800 C804 | M788-L798 HydrophobicContact CB-CD1 3.67Å; M788-L798 HydrophobicContact CB-CD2 3.98Å; M788-L798 HydrophobicContact CE-CD2 4.17Å; A789-L798 HydrophobicContact CB-CD1 4.06Å; A789-L798 HydrophobicContact CB-CG 4.4Å; R794-L798 PolarHBondContact O-N 2.99Å; C795-L798 PolarHBondContact O-N 3.48Å; L798-A800 PolarHBondContact O-N 3.34Å; L798-C804 HydrophobicContact CD1-CB 3.93Å |
| 799 | D | 84.8 | Confident | 85.2 | Confident | 85 Ų | 85 | 48.7 Ų | 48.7 | 46% | 0.455 | 29% | 0.285 | S | S | . | . | trans | -57.5 | 128.5 | 178.8 | -173.7 | -31.2 | 0 | 0 | 0 | 110.9 | N801 F802 | D799-N801 PolarHBondContact O-N 2.97Å; D799-N801 VanDerWaalsContact OD1-CB 3.27Å; D799-N801 WeakPolarHBondContact OD1-CB 3.4Å; D799-N801 PolarHBondContact OD1-N 3.39Å; D799-N801 PolarHBondContact OD1-ND2 3.08Å; D799-N801 PolarHBondContact OD2-ND2 2.88Å; D799-F802 HydrophobicContact CB-CD2 3.78Å; D799-F802 HydrophobicContact CB-CE2 3.88Å; D799-F802 PolarHBondContact O-N 3.35Å | ||
| 800 | A | 81.4 | Confident | 85.2 | Confident | 84 Ų | 84 | 49.4 Ų | 49.4 | 69% | 0.694 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -56 | -25.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L798 F802 E803 | L798-A800 PolarHBondContact O-N 3.34Å; A800-F802 PolarHBondContact O-N 3.18Å; A800-E803 PolarHBondContact O-N 2.96Å; A800-E803 VanDerWaalsContact O-N 3.07Å |
| 801 | N | 81.7 | Confident | 85.3 | Confident | 108 Ų | 108 | 45.1 Ų | 45.1 | 58% | 0.578 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -64.9 | -21.8 | 177.7 | -65 | -38.8 | 0 | 0 | 0 | 113.6 | L694 D799 E803 | L694-N801 HydrophobicContact CD1-CB 3.82Å; D799-N801 PolarHBondContact O-N 2.97Å; D799-N801 VanDerWaalsContact OD1-CB 3.27Å; D799-N801 WeakPolarHBondContact OD1-CB 3.4Å; D799-N801 PolarHBondContact OD1-N 3.39Å; D799-N801 PolarHBondContact OD1-ND2 3.08Å; D799-N801 PolarHBondContact OD2-ND2 2.88Å; N801-E803 VanDerWaalsContact C-N 3.33Å |
| 802 | F | 86.6 | Confident | 85.3 | Confident | 43 Ų | 43 | 46.3 Ų | 46.3 | 19% | 0.189 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -80.7 | -13.6 | 173.5 | -65.1 | -70.5 | 0 | 0 | 0 | 113 | L694 Y783 M788 D799 A800 C804 | L694-F802 HydrophobicContact CD2-CE1 4.36Å; Y783-F802 AromaticContact CD1-CD1 3.86Å; Y783-F802 HydrophobicContact CD1-CD1 3.86Å; Y783-F802 HydrophobicContact CD1-CE1 4.31Å; Y783-F802 HydrophobicContact CD2-CB 4.27Å; Y783-F802 AromaticContact CD2-CD1 3.7Å; Y783-F802 HydrophobicContact CD2-CD1 3.7Å; Y783-F802 HydrophobicContact CD2-CG 4.41Å; Y783-F802 HydrophobicContact CE1-CD1 4.12Å; Y783-F802 HydrophobicContact CE2-CB 3.89Å; Y783-F802 AromaticContact CE2-CD1 3.98Å; Y783-F802 HydrophobicContact CE2-CD1 3.98Å; Y783-F802 HydrophobicContact CE2-CG 4.44Å; Y783-F802 WeakPolarHBondContact CE2-O 3.41Å; Y783-F802 AromaticContact CG-CD1 3.64Å; Y783-F802 HydrophobicContact CG-CD1 3.64Å; Y783-F802 HydrophobicContact CG-CE1 4.14Å; Y783-F802 PolarHBondContact OH-O 2.97Å; M788-F802 HydrophobicContact CE-CD1 4.22Å; M788-F802 HydrophobicContact CE-CD2 3.69Å; M788-F802 HydrophobicContact CE-CE1 4.26Å; M788-F802 HydrophobicContact CE-CE2 3.75Å; M788-F802 HydrophobicContact CE-CG 3.95Å; M788-F802 HydrophobicContact CE-CZ 4.03Å; D799-F802 HydrophobicContact CB-CD2 3.78Å; D799-F802 HydrophobicContact CB-CE2 3.88Å; D799-F802 PolarHBondContact O-N 3.35Å; A800-F802 PolarHBondContact O-N 3.18Å; F802-C804 PolarHBondContact O-N 3.04Å; F802-C804 VanDerWaalsContact O-N 3.12Å |
| 803 | E | 86.5 | Confident | 85.3 | Confident | 67 Ų | 67 | 47 Ų | 47 | 31% | 0.313 | 27% | 0.273 | S | S | . | . | trans | 51.1 | 30.9 | -173.7 | -50 | -172.7 | 146.2 | 0 | 0 | 113.9 | A800 N801 Y813 R814 | A800-E803 PolarHBondContact O-N 2.96Å; A800-E803 VanDerWaalsContact O-N 3.07Å; N801-E803 VanDerWaalsContact C-N 3.33Å; E803-Y813 HydrophobicContact CB-CD2 4.15Å; E803-Y813 HydrophobicContact CB-CE2 3.7Å; E803-Y813 HydrophobicContact CG-CE2 4.41Å; E803-Y813 VanDerWaalsContact OE2-CE2 3.22Å; E803-Y813 WeakPolarHBondContact OE2-CE2 3.38Å; E803-Y813 VanDerWaalsContact OE2-CZ 3.31Å; E803-Y813 PolarHBondContact OE2-OH 2.85Å; E803-R814 HydrophobicContact CB-CB 4.43Å; E803-R814 WeakPolarHBondContact O-CB 2.97Å; E803-R814 PolarHBondContact O-N 3.29Å | ||
| 804 | C | 87.7 | Confident | 85 | Confident | 17 Ų | 17 | 52.7 Ų | 52.7 | 12% | 0.115 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 146.8 | 171.1 | -58.7 | 0 | 0 | 0 | 0 | 110.7 | C785 L798 F802 D812 | C785-C804 VanDerWaalsContact CA-SG 3.54Å; C785-C804 HydrophobicContact CB-CB 3.79Å; C785-C804 WeakPolarHBondContact CB-SG 3.25Å; C785-C804 WeakPolarHBondContact SG-CA 3.27Å; C785-C804 WeakPolarHBondContact SG-CB 3.43Å; C785-C804 CovalentContact SG-SG 2.04Å; C785-C804 PolarHBondContact SG-SG 3.12Å; L798-C804 HydrophobicContact CD1-CB 3.93Å; F802-C804 PolarHBondContact O-N 3.04Å; F802-C804 VanDerWaalsContact O-N 3.12Å; C804-D812 CarbonylContact C-O 3.57Å; C804-D812 WeakPolarHBondContact CA-O 3.02Å |
| 805 | A | 85.6 | Confident | 84.5 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.008 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 149.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | C795 D812 R814 | C795-A805 VanDerWaalsContact SG-C 3.53Å; A805-D812 PolarHBondContact N-O 2.9Å; A805-D812 PolarHBondContact O-N 2.78Å; A805-D812 VanDerWaalsContact O-O 3.13Å; A805-R814 HydrophobicContact CB-CB 4.16Å |
| 806 | W | 85.5 | Confident | 84.1 | Confident | 39 Ų | 39 | 62.2 Ų | 62.2 | 15% | 0.148 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 116.4 | 174 | -172 | -97.6 | 0 | 0 | 0 | 110.1 | D791 C792 C795 L796 G810 C811 | D791-W806 VanDerWaalsContact C-CH2 3.49Å; D791-W806 WeakPolarHBondContact O-CZ3 3.43Å; C792-W806 HydrophobicContact CB-CD2 3.7Å; C792-W806 HydrophobicContact CB-CE3 4.22Å; C792-W806 HydrophobicContact CB-CG 3.97Å; C792-W806 HydrophobicContact CB-CH2 4.45Å; C792-W806 HydrophobicContact CB-CZ2 3.97Å; C795-W806 HydrophobicContact CB-CB 4.41Å; C795-W806 HydrophobicContact CB-CD2 4.49Å; C795-W806 HydrophobicContact CB-CE3 3.58Å; C795-W806 HydrophobicContact CB-CZ3 4.25Å; L796-W806 HydrophobicContact CD2-CB 4.3Å; W806-G810 WeakPolarHBondContact CA-O 3.23Å; W806-G810 VanDerWaalsContact CE3-C 3.48Å; W806-C811 HydrophobicContact CE3-CB 4.2Å; W806-C811 HydrophobicContact CZ3-CB 4.44Å |
| 807 | C | 81.8 | Confident | 83.6 | Confident | 12 Ų | 12 | 61.6 Ų | 61.6 | 8% | 0.081 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 155 | 179.2 | 62.7 | 0 | 0 | 0 | 0 | 111.5 | G809 G810 C817 T822 | C807-G809 PolarHBondContact O-N 3.2Å; C807-G810 PolarHBondContact N-O 2.04Å; C807-G810 CarbonylContact O-C 3.59Å; C807-G810 PolarHBondContact O-N 3.48Å; C807-C817 HydrophobicContact CB-CB 3.56Å; C807-C817 WeakPolarHBondContact CB-SG 3.18Å; C807-C817 VanDerWaalsContact SG-CA 3.57Å; C807-C817 WeakPolarHBondContact SG-CB 3.42Å; C807-C817 CovalentContact SG-SG 2.04Å; C807-C817 PolarHBondContact SG-SG 2.04Å; C807-T822 HydrophobicContact CB-CG2 3.8Å |
| 808 | D | 77.3 | Confident | 82.8 | Confident | 122 Ų | 122 | 66 Ų | 66 | 65% | 0.652 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 26 | 176.8 | -56.3 | -34.1 | 0 | 0 | 0 | 115.4 | ||
| 809 | G | 78 | Confident | 81.6 | Confident | 65 Ų | 65 | 65.6 Ų | 65.6 | 67% | 0.67 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | 9.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | C807 | C807-G809 PolarHBondContact O-N 3.2Š|
| 810 | G | 84.2 | Confident | 80.3 | Confident | 28 Ų | 28 | 66.3 Ų | 66.3 | 29% | 0.289 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | -177.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | W806 C807 | W806-G810 WeakPolarHBondContact CA-O 3.23Å; W806-G810 VanDerWaalsContact CE3-C 3.48Å; C807-G810 PolarHBondContact N-O 2.04Å; C807-G810 CarbonylContact O-C 3.59Å; C807-G810 PolarHBondContact O-N 3.48Å |
| 811 | C | 87.6 | Confident | 79.1 | Confident | 6 Ų | 6 | 67.9 Ų | 67.9 | 4% | 0.041 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 113.8 | 176.5 | -161.8 | 0 | 0 | 0 | 0 | 110.2 | C785 Q786 A789 C795 W806 | C785-C811 CarbonylContact C-O 3.59Å; Q786-C811 WeakPolarHBondContact CA-O 3.3Å; Q786-C811 PolarHBondContact N-O 3.05Å; A789-C811 HydrophobicContact CB-CB 4.26Å; C795-C811 HydrophobicContact CB-CB 3.67Å; C795-C811 WeakPolarHBondContact CB-SG 3.07Å; C795-C811 WeakPolarHBondContact SG-CA 2.89Å; C795-C811 WeakPolarHBondContact SG-CB 3.14Å; C795-C811 CovalentContact SG-SG 2.04Å; C795-C811 PolarHBondContact SG-SG 3.42Å; W806-C811 HydrophobicContact CE3-CB 4.2Å; W806-C811 HydrophobicContact CZ3-CB 4.44Å |
| 812 | D | 88.4 | Confident | 77.8 | Confident | 44 Ų | 44 | 63.8 Ų | 63.8 | 24% | 0.235 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 168.9 | -175.6 | -155.1 | -4.5 | 0 | 0 | 0 | 111.9 | C804 A805 Q816 | C804-D812 CarbonylContact C-O 3.57Å; C804-D812 WeakPolarHBondContact CA-O 3.02Å; A805-D812 PolarHBondContact N-O 2.9Å; A805-D812 PolarHBondContact O-N 2.78Å; A805-D812 VanDerWaalsContact O-O 3.13Å; D812-Q816 WeakPolarHBondContact OD2-CG 3.48Å |
| 813 | Y | 86.8 | Confident | 76.2 | Confident | 15 Ų | 15 | 68.6 Ų | 68.6 | 6% | 0.059 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 132.9 | 175.3 | 179 | -118 | 0 | 0 | 0 | 110.4 | P696 H699 E803 R815 Q816 | P696-Y813 HydrophobicContact CB-CD2 4.07Å; P696-Y813 HydrophobicContact CB-CE2 4.03Å; P696-Y813 HydrophobicContact CB-CG 4.38Å; P696-Y813 HydrophobicContact CG-CD2 4.43Å; P696-Y813 HydrophobicContact CG-CE1 4.36Å; P696-Y813 HydrophobicContact CG-CE2 3.89Å; H699-Y813 AromaticContact CD2-CD1 3.61Å; H699-Y813 AromaticContact CD2-CE1 3.59Å; H699-Y813 AromaticContact CE1-CD1 3.77Å; H699-Y813 AromaticContact NE2-CD1 3.36Å; H699-Y813 WeakPolarHBondContact NE2-CD1 3.37Å; H699-Y813 AromaticContact NE2-CE1 3.85Å; E803-Y813 HydrophobicContact CB-CD2 4.15Å; E803-Y813 HydrophobicContact CB-CE2 3.7Å; E803-Y813 HydrophobicContact CG-CE2 4.41Å; E803-Y813 VanDerWaalsContact OE2-CE2 3.22Å; E803-Y813 WeakPolarHBondContact OE2-CE2 3.38Å; E803-Y813 VanDerWaalsContact OE2-CZ 3.31Å; E803-Y813 PolarHBondContact OE2-OH 2.85Å; Y813-R815 HydrophobicContact CD1-CB 3.93Å; Y813-R815 HydrophobicContact CD1-CG 4.39Å; Y813-R815 HydrophobicContact CE1-CB 3.54Å; Y813-R815 HydrophobicContact CE1-CG 3.62Å; Y813-R815 PolarHBondContact O-N 3.42Å; Y813-R815 PolarHBondContact OH-NE 3.37Å; Y813-Q816 VanDerWaalsContact O-CB 3.31Å; Y813-Q816 WeakPolarHBondContact O-CB 3.34Å; Y813-Q816 PolarHBondContact O-N 3.27Å |
| 814 | R | 81.7 | Confident | 74.7 | Confident | 118 Ų | 118 | 73.9 Ų | 73.9 | 45% | 0.445 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -34.3 | -171.2 | 176.1 | 177.4 | -74.9 | 170.3 | -1.3 | 114.4 | E803 A805 Q816 | E803-R814 HydrophobicContact CB-CB 4.43Å; E803-R814 WeakPolarHBondContact O-CB 2.97Å; E803-R814 PolarHBondContact O-N 3.29Å; A805-R814 HydrophobicContact CB-CB 4.16Å; R814-Q816 VanDerWaalsContact C-N 3.3Å |
| 815 | R | 79.8 | Confident | 73.3 | Confident | 194 Ų | 194 | 78.4 Ų | 78.4 | 73% | 0.732 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -9 | -179 | -56.2 | -171 | -177 | -174.7 | 1.5 | 114.2 | Y813 | Y813-R815 HydrophobicContact CD1-CB 3.93Å; Y813-R815 HydrophobicContact CD1-CG 4.39Å; Y813-R815 HydrophobicContact CE1-CB 3.54Å; Y813-R815 HydrophobicContact CE1-CG 3.62Å; Y813-R815 PolarHBondContact O-N 3.42Å; Y813-R815 PolarHBondContact OH-NE 3.37Å |
| 816 | Q | 79.4 | Confident | 72.4 | Confident | 99 Ų | 99 | 80.2 Ų | 80.2 | 46% | 0.463 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -18 | 179 | -165.1 | 157.4 | -26.3 | 0 | 0 | 112.4 | H699 D812 Y813 R814 Q818 | H699-Q816 PolarHBondContact CE1-OE1 3Å; H699-Q816 VanDerWaalsContact CE1-OE1 3.28Å; D812-Q816 WeakPolarHBondContact OD2-CG 3.48Å; Y813-Q816 VanDerWaalsContact O-CB 3.31Å; Y813-Q816 WeakPolarHBondContact O-CB 3.34Å; Y813-Q816 PolarHBondContact O-N 3.27Å; R814-Q816 VanDerWaalsContact C-N 3.3Å; Q816-Q818 PolarHBondContact O-N 2.98Å |
| 817 | C | 76.8 | Confident | 71.6 | Confident | 17 Ų | 17 | 81.2 Ų | 81.2 | 12% | 0.115 | 43% | 0.43 | C | S | . | . | trans | -66.8 | 124.3 | 176.3 | -59.1 | 0 | 0 | 0 | 0 | 112.3 | C807 T822 | C807-C817 HydrophobicContact CB-CB 3.56Å; C807-C817 WeakPolarHBondContact CB-SG 3.18Å; C807-C817 VanDerWaalsContact SG-CA 3.57Å; C807-C817 WeakPolarHBondContact SG-CB 3.42Å; C807-C817 CovalentContact SG-SG 2.04Å; C807-C817 PolarHBondContact SG-SG 2.04Å; C817-T822 HydrophobicContact CB-CG2 3.49Å; C817-T822 VanDerWaalsContact CB-CG2 3.49Å | ||
| 818 | Q | 70 | Confident | 71.2 | Confident | 181 Ų | 181 | 81.6 Ų | 81.6 | 85% | 0.846 | 43% | 0.431 | S | S | * | . | trans | -86.9 | -12.7 | -176.9 | -64.6 | -177.7 | 4.9 | 0 | 0 | 114.2 | Q816 | Q816-Q818 PolarHBondContact O-N 2.98Š| ||
| 819 | S | 62.1 | Low | 71 | Confident | 33 Ų | 33 | 77.3 Ų | 77.3 | 23% | 0.231 | 42% | 0.415 | C | S | . | . | trans | -89.8 | 132.7 | -172.8 | 175.9 | 0 | 0 | 0 | 0 | 113.5 | I821 T822 | S819-I821 PolarHBondContact O-N 2.76Å; S819-I821 PolarHBondContact OG-N 3.46Å; S819-T822 WeakPolarHBondContact O-CB 3.26Å; S819-T822 PolarHBondContact O-N 3.1Å; S819-T822 PolarHBondContact O-OG1 3.19Å | ||
| 820 | P | 58.2 | Low | 71 | Confident | 99 Ų | 99 | 76.4 Ų | 76.4 | 64% | 0.643 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -64 | -8.6 | 176 | 25.1 | -32.3 | 0 | 0 | 0 | 114.1 | T822 L823 | P820-T822 PolarHBondContact O-N 2.92Å; P820-L823 PolarHBondContact O-N 3.13Å |
| 821 | I | 55.9 | Low | 70.9 | Confident | 118 Ų | 118 | 75.1 Ų | 75.1 | 61% | 0.605 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -66 | -18.5 | 172 | -60.4 | 171.3 | 0 | 0 | 0 | 111.1 | S819 L823 | S819-I821 PolarHBondContact O-N 2.76Å; S819-I821 PolarHBondContact OG-N 3.46Å; I821-L823 PolarHBondContact O-N 2.89Å |
| 822 | T | 53.6 | Low | 70.8 | Confident | 22 Ų | 22 | 77.6 Ų | 77.6 | 14% | 0.135 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -81.2 | -4.2 | -179.9 | 59.7 | 0 | 0 | 0 | 0 | 115.7 | C807 C817 S819 P820 | C807-T822 HydrophobicContact CB-CG2 3.8Å; C817-T822 HydrophobicContact CB-CG2 3.49Å; C817-T822 VanDerWaalsContact CB-CG2 3.49Å; S819-T822 WeakPolarHBondContact O-CB 3.26Å; S819-T822 PolarHBondContact O-N 3.1Å; S819-T822 PolarHBondContact O-OG1 3.19Å; P820-T822 PolarHBondContact O-N 2.92Å |
| 823 | L | 53.7 | Low | 70.7 | Confident | 144 Ų | 144 | 77.8 Ų | 77.8 | 75% | 0.754 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -86.8 | 2.9 | 179.7 | -89.9 | 119.7 | 0 | 0 | 0 | 115.1 | P820 I821 | P820-L823 PolarHBondContact O-N 3.13Å; I821-L823 PolarHBondContact O-N 2.89Å |
| 824 | Y | 55.3 | Low | 70.9 | Confident | 178 Ų | 178 | 77.3 Ų | 77.3 | 70% | 0.698 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -119.3 | 156.6 | -178.5 | -71.9 | -84 | 0 | 0 | 0 | 110.7 | Q826 | Y824-Q826 PolarHBondContact O-N 2.84Š|
| 825 | P | 58.5 | Low | 71.3 | Confident | 111 Ų | 111 | 74.1 Ų | 74.1 | 72% | 0.721 | 40% | 0.399 | S | S | * | . | trans | -52.7 | 119.6 | -176.7 | 19.3 | -31.2 | 0 | 0 | 0 | 110.2 | S827 | P825-S827 PolarHBondContact O-N 2.8Š| ||
| 826 | Q | 65.4 | Low | 71.8 | Confident | 39 Ų | 39 | 65.4 Ų | 65.4 | 18% | 0.182 | 37% | 0.367 | C | S | . | . | trans | -60.9 | 87 | 177.9 | -71.5 | -91.7 | -35.2 | 0 | 0 | 108.3 | L796 Y824 | L796-Q826 HydrophobicContact CD2-CB 3.69Å; L796-Q826 HydrophobicContact CD2-CG 4.42Å; Y824-Q826 PolarHBondContact O-N 2.84Å | ||
| 827 | S | 69.8 | Low | 72.3 | Confident | 61 Ų | 61 | 66.6 Ų | 66.6 | 43% | 0.427 | 37% | 0.373 | S | S | . | . | trans | -106.1 | 165.4 | -176.9 | 64.1 | 0 | 0 | 0 | 0 | 109.5 | L796 P825 G829 V830 | L796-S827 WeakPolarHBondContact CD1-O 3.42Å; P825-S827 PolarHBondContact O-N 2.8Å; S827-G829 PolarHBondContact O-N 2.93Å; S827-V830 WeakPolarHBondContact O-CB 3.5Å; S827-V830 WeakPolarHBondContact O-CG2 3.35Å; S827-V830 PolarHBondContact O-N 2.86Å | ||
| 828 | I | 72.3 | Confident | 73 | Confident | 20 Ų | 20 | 72 Ų | 72 | 10% | 0.103 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -52.4 | -16.9 | 174.2 | -164.3 | 161.2 | 0 | 0 | 0 | 113.8 | V830 C831 I861 D865 L908 N910 | I828-V830 PolarHBondContact O-N 2.77Å; I828-C831 PolarHBondContact O-N 3.05Å; I828-I861 HydrophobicContact CB-CD1 3.86Å; I828-I861 HydrophobicContact CB-CG1 4.37Å; I828-I861 HydrophobicContact CD1-CG1 4.38Å; I828-I861 HydrophobicContact CG1-CD1 4.42Å; I828-I861 HydrophobicContact CG1-CG1 4.41Å; I828-D865 HydrophobicContact CD1-CB 3.85Å; I828-D865 WeakPolarHBondContact CD1-OD2 3.35Å; I828-L908 HydrophobicContact CD1-CB 4.45Å; I828-L908 HydrophobicContact CD1-CD1 4.12Å; I828-L908 HydrophobicContact CD1-CD2 4.3Å; I828-L908 HydrophobicContact CG1-CD1 4.29Å; I828-N910 HydrophobicContact CG2-CB 4.19Å; I828-N910 PolarHBondContact O-ND2 3.13Å |
| 829 | G | 73.8 | Confident | 74.1 | Confident | 32 Ų | 32 | 63.8 Ų | 63.8 | 33% | 0.33 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -65.3 | -18.6 | 173 | 0 | 0 | 0 | 0 | 0 | 115.1 | S827 R912 | S827-G829 PolarHBondContact O-N 2.93Å; G829-R912 PolarHBondContact O-NH2 3.46Å |
| 830 | V | 78.4 | Confident | 75.5 | Confident | 45 Ų | 45 | 69.1 Ų | 69.1 | 27% | 0.273 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -79.9 | -26.2 | 176.6 | -177.3 | 0 | 0 | 0 | 0 | 111.5 | S827 I828 | S827-V830 WeakPolarHBondContact O-CB 3.5Å; S827-V830 WeakPolarHBondContact O-CG2 3.35Å; S827-V830 PolarHBondContact O-N 2.86Å; I828-V830 PolarHBondContact O-N 2.77Å |
| 831 | C | 82.5 | Confident | 77 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.007 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -76.3 | 148.6 | -178.1 | -59.6 | 0 | 0 | 0 | 0 | 112.9 | C792 L796 I828 R912 | C792-C831 VanDerWaalsContact C-SG 3.56Å; C792-C831 HydrophobicContact CB-CB 3.57Å; C792-C831 WeakPolarHBondContact CB-SG 3.31Å; C792-C831 WeakPolarHBondContact SG-CA 3.4Å; C792-C831 WeakPolarHBondContact SG-CB 3.11Å; C792-C831 PolarHBondContact SG-N 2.65Å; C792-C831 CovalentContact SG-SG 2.04Å; C792-C831 PolarHBondContact SG-SG 3.02Å; L796-C831 WeakPolarHBondContact CD1-SG 3.09Å; I828-C831 PolarHBondContact O-N 3.05Å; C831-R912 PolarHBondContact O-NH1 3.29Å |
| 832 | P | 85 | Confident | 78.6 | Confident | 59 Ų | 59 | 63.1 Ų | 63.1 | 38% | 0.383 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 172.4 | 173.3 | 29.9 | -36.3 | 0 | 0 | 0 | 111.9 | D858 | P832-D858 HydrophobicContact CG-CB 4.29Å; P832-D858 VanDerWaalsContact CG-OD2 3.23Å; P832-D858 WeakPolarHBondContact CG-OD2 3.36Å |
| 833 | A | 86 | Confident | 80.3 | Confident | 47 Ų | 47 | 64.4 Ų | 64.4 | 39% | 0.388 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 144.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | R912 | A833-R912 HydrophobicContact CB-CB 4.36Š|
| 834 | P | 90.3 | Very high | 82 | Confident | 5 Ų | 5 | 57.6 Ų | 57.6 | 3% | 0.032 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -64 | 142.7 | -178.8 | 27.9 | -35.2 | 0 | 0 | 0 | 110.5 | D858 L859 L908 G914 | P834-D858 WeakPolarHBondContact CA-O 3.1Å; P834-D858 VanDerWaalsContact CB-O 3.3Å; P834-D858 WeakPolarHBondContact CB-O 3.32Å; P834-L859 HydrophobicContact CB-CD2 4.09Å; P834-L908 HydrophobicContact CB-CD1 4.28Å; P834-L908 HydrophobicContact CB-CG 4.44Å; P834-L908 HydrophobicContact CG-CD1 3.96Å; P834-L908 HydrophobicContact CG-CG 3.94Å; P834-G914 VanDerWaalsContact O-CA 3.22Å; P834-G914 WeakPolarHBondContact O-CA 3.14Å |
| 835 | V | 90.4 | Very high | 83.7 | Confident | 51 Ų | 51 | 49.2 Ų | 49.2 | 31% | 0.309 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 123.1 | 178.9 | -179.6 | 0 | 0 | 0 | 0 | 109.1 | E837 G856 R857 | V835-E837 HydrophobicContact CG1-CG 4.36Å; V835-G856 WeakPolarHBondContact O-CA 3.4Å; V835-R857 HydrophobicContact CB-CG 3.8Å; V835-R857 HydrophobicContact CG2-CG 4.22Å; V835-R857 PolarHBondContact N-O 3Å; V835-R857 PolarHBondContact O-N 3.03Å; V835-R857 VanDerWaalsContact O-N 3.1Å |
| 836 | V | 91 | Very high | 85.3 | Confident | 12 Ų | 12 | 45.6 Ų | 45.6 | 7% | 0.073 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 117.9 | 174.3 | 178.5 | 0 | 0 | 0 | 0 | 108.8 | I839 I854 V906 | V836-I839 HydrophobicContact CG1-CG2 4.01Å; V836-I854 HydrophobicContact CB-CG2 4.45Å; V836-I854 HydrophobicContact CG1-CG2 3.64Å; V836-I854 HydrophobicContact CG2-CG2 4.06Å; V836-V906 HydrophobicContact CG2-CB 4.3Å; V836-V906 HydrophobicContact CG2-CG2 3.78Å |
| 837 | E | 89.8 | Confident | 86.6 | Confident | 123 Ų | 123 | 45.2 Ų | 45.2 | 58% | 0.575 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | -45.9 | -175.8 | -66.8 | -177.1 | 166.4 | 0 | 0 | 111.9 | V835 T855 R857 | V835-E837 HydrophobicContact CG1-CG 4.36Å; E837-T855 PolarHBondContact N-O 3.44Å; E837-R857 IonicContact OE1-NH1 2.75Å; E837-R857 PolarHBondContact OE1-NH1 3.34Å |
| 838 | E | 92.1 | Very high | 87.5 | Confident | 132 Ų | 132 | 42.3 Ų | 42.3 | 62% | 0.617 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 151.7 | -178.2 | -168 | 176.5 | -173.7 | 0 | 0 | 112.1 | T855 | E838-T855 WeakPolarHBondContact CB-OG1 3.36Å; E838-T855 PolarHBondContact N-OG1 3.06Å; E838-T855 PolarHBondContact O-N 3.38Å; E838-T855 PolarHBondContact O-OG1 3.08Å |
| 839 | I | 92.5 | Very high | 88.3 | Confident | 8 Ų | 8 | 42.3 Ų | 42.3 | 4% | 0.041 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 142.1 | 171.9 | 69.5 | 179.8 | 0 | 0 | 0 | 111 | V836 E853 V904 S918 | V836-I839 HydrophobicContact CG1-CG2 4.01Å; I839-E853 VanDerWaalsContact CA-O 3.28Å; I839-E853 WeakPolarHBondContact CA-O 3.45Å; I839-V904 HydrophobicContact CD1-CG2 3.71Å; I839-V904 HydrophobicContact CG2-CB 4.18Å; I839-V904 HydrophobicContact CG2-CG2 4.02Å; I839-S918 WeakPolarHBondContact CD1-O 3.45Å; I839-S918 WeakPolarHBondContact CD1-OG 3.31Å; I839-S918 VanDerWaalsContact CG1-OG 3.27Å; I839-S918 WeakPolarHBondContact CG1-OG 3.39Å |
| 840 | F | 90.5 | Very high | 89.1 | Confident | 145 Ų | 145 | 40.8 Ų | 40.8 | 64% | 0.636 | 22% | 0.223 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 136.1 | 176.7 | -179.8 | -96.2 | 0 | 0 | 0 | 111.6 | E853 | F840-E853 PolarHBondContact N-O 3.31Å; F840-E853 VanDerWaalsContact N-O 3.09Å; F840-E853 PolarHBondContact O-N 3.08Å |
| 841 | P | 90.6 | Very high | 89.8 | Confident | 21 Ų | 21 | 43.6 Ų | 43.6 | 14% | 0.136 | 23% | 0.229 | C | C | . | . | cis | -74.7 | 168.6 | -10.5 | 33 | -35.4 | 0 | 0 | 0 | 112.9 | T850 R851 F920 | P841-T850 HydrophobicContact CG-CG2 3.72Å; P841-R851 WeakPolarHBondContact CD-O 3.37Å; P841-F920 WeakPolarHBondContact O-CD2 3.38Å | ||
| 842 | T | 89.2 | Confident | 90.2 | Very high | 69 Ų | 69 | 43.6 Ų | 43.6 | 42% | 0.423 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -92.7 | -4.7 | -179.3 | 52.8 | 0 | 0 | 0 | 0 | 114.7 | F920 T921 | T842-F920 CarbonylContact O-C 3.56Å; T842-F920 VanDerWaalsContact O-CA 3.29Å; T842-F920 WeakPolarHBondContact O-CA 3.4Å; T842-T921 PolarHBondContact O-N 3.38Å |
| 843 | M | 89.9 | Confident | 90.6 | Very high | 50 Ų | 50 | 44 Ų | 44 | 25% | 0.246 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 159.2 | -179.6 | -59.7 | -179.3 | 69 | 0 | 0 | 110.2 | T921 V923 D952 | M843-T921 VanDerWaalsContact CA-O 3.25Å; M843-T921 WeakPolarHBondContact CA-O 3.23Å; M843-V923 HydrophobicContact CE-CG1 3.51Å; M843-V923 HydrophobicContact CE-CG2 4.33Å; M843-D952 CarbonylContact C-O 3.42Å; M843-D952 HydrophobicContact CB-CB 3.85Å; M843-D952 HydrophobicContact CE-CB 4.35Å; M843-D952 WeakPolarHBondContact CE-OD2 3.14Å; M843-D952 HydrophobicContact SD-CB 4.42Å |
| 844 | G | 88.7 | Confident | 90.9 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.3 | 164.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T921 F922 V923 D952 | G844-T921 PolarHBondContact N-O 3.29Å; G844-F922 CarbonylContact O-C 3.44Å; G844-F922 VanDerWaalsContact O-CA 3.25Å; G844-F922 WeakPolarHBondContact O-CA 3.43Å; G844-V923 PolarHBondContact O-N 2.7Å; G844-D952 WeakPolarHBondContact CA-O 3.39Å; G844-D952 PolarHBondContact N-O 3.44Å |
| 845 | P | 91.8 | Very high | 91.1 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.019 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 150.4 | -179 | 26 | -33 | 0 | 0 | 0 | 114 | E847 G848 T850 F922 V923 P925 L998 D999 A1001 | P845-E847 PolarHBondContact O-N 3.15Å; P845-G848 PolarHBondContact O-N 3.32Å; P845-T850 WeakPolarHBondContact CD-OG1 3.34Å; P845-F922 WeakPolarHBondContact O-CD1 3.08Å; P845-V923 CarbonylContact C-O 3.59Å; P845-V923 VanDerWaalsContact CA-O 3.27Å; P845-V923 WeakPolarHBondContact CA-O 3.49Å; P845-P925 HydrophobicContact CB-CG 4.34Å; P845-L998 WeakPolarHBondContact CG-O 3.24Å; P845-D999 WeakPolarHBondContact CD-OD2 3.2Å; P845-D999 HydrophobicContact CG-CB 3.77Å; P845-A1001 HydrophobicContact CB-CB 3.77Å; P845-A1001 HydrophobicContact CG-CB 4.36Å |
| 846 | I | 91.9 | Very high | 91.1 | Very high | 35 Ų | 35 | 41.1 Ų | 41.1 | 18% | 0.179 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -28.7 | 177.6 | 58.9 | 173.8 | 0 | 0 | 0 | 113.9 | G848 R894 S895 P899 F922 V923 D924 | I846-G848 PolarHBondContact O-N 3.38Å; I846-R894 WeakPolarHBondContact O-CA 3.49Å; I846-S895 PolarHBondContact O-N 2.69Å; I846-P899 HydrophobicContact CG2-CG 4.5Å; I846-F922 HydrophobicContact CG2-CB 4.35Å; I846-V923 PolarHBondContact N-O 3.33Å; I846-D924 HydrophobicContact CD1-CB 4.18Å |
| 847 | E | 91.3 | Very high | 91 | Very high | 31 Ų | 31 | 46.6 Ų | 46.6 | 15% | 0.145 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -17.6 | 176.9 | -67.1 | 91.8 | 149.7 | 0 | 0 | 113.4 | P845 Q1000 A1001 R1003 | P845-E847 PolarHBondContact O-N 3.15Å; E847-Q1000 HydrophobicContact CB-CB 3.93Å; E847-A1001 HydrophobicContact CG-CB 4.44Å; E847-A1001 WeakPolarHBondContact OE2-CB 3.37Å; E847-R1003 IonicContact OE1-CZ 3.24Å; E847-R1003 VanDerWaalsContact OE1-CZ 3.28Å; E847-R1003 IonicContact OE1-NH1 2.64Å; E847-R1003 PolarHBondContact OE1-NH1 3.34Å; E847-R1003 IonicContact OE1-NH2 2.72Å; E847-R1003 PolarHBondContact OE1-NH2 2.96Å; E847-R1003 IonicContact OE2-NH2 3.24Å; E847-R1003 PolarHBondContact OE2-NH2 3.24Å |
| 848 | G | 89.5 | Confident | 90.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | 83.6 | -162.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | P845 I846 A893 D999 Q1000 | P845-G848 PolarHBondContact O-N 3.32Å; I846-G848 PolarHBondContact O-N 3.38Å; G848-A893 WeakPolarHBondContact CA-O 3.09Å; G848-D999 WeakPolarHBondContact O-CB 3.18Å; G848-Q1000 WeakPolarHBondContact O-CB 3.2Å; G848-Q1000 PolarHBondContact O-N 2.89Å | ||
| 849 | G | 88.5 | Confident | 90.8 | Very high | 19 Ų | 19 | 35 Ų | 35 | 20% | 0.196 | 17% | 0.17 | C | C | . | . | trans | 85.1 | 7.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | T892 | G849-T892 PolarHBondContact N-O 2.63Å; G849-T892 PolarHBondContact N-OG1 2.93Å | ||
| 850 | T | 90.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -73.8 | 126.5 | 177.5 | -48.2 | 0 | 0 | 0 | 0 | 109.2 | P841 P845 V852 M891 T892 F920 T954 D999 | P841-T850 HydrophobicContact CG-CG2 3.72Å; P845-T850 WeakPolarHBondContact CD-OG1 3.34Å; T850-V852 HydrophobicContact CG2-CG2 4.36Å; T850-V852 PolarHBondContact O-N 3.11Å; T850-M891 WeakPolarHBondContact O-CA 3.06Å; T850-T892 WeakPolarHBondContact CB-OG1 3.43Å; T850-T892 PolarHBondContact N-OG1 2.82Å; T850-T892 VanDerWaalsContact N-OG1 3.08Å; T850-T892 PolarHBondContact O-N 3.43Å; T850-F920 HydrophobicContact CG2-CE2 4Å; T850-F920 HydrophobicContact CG2-CZ 3.91Å; T850-T954 WeakPolarHBondContact CG2-OG1 3.49Å; T850-D999 WeakPolarHBondContact CA-OD2 3.23Å; T850-D999 WeakPolarHBondContact CB-OD2 3.27Å; T850-D999 PolarHBondContact OG1-OD2 2.96Å | ||
| 851 | R | 93.3 | Very high | 90.2 | Very high | 105 Ų | 105 | 28.8 Ų | 28.8 | 40% | 0.396 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 100.3 | 178.1 | -178.6 | 179.7 | 171.5 | 95.6 | -1.7 | 108.7 | P841 E881 V889 C890 T954 | P841-R851 WeakPolarHBondContact CD-O 3.37Å; R851-E881 IonicContact NH2-OE2 3.87Å; R851-E881 PolarHBondContact NH2-OE2 3.1Å; R851-V889 HydrophobicContact CG-CG1 3.65Å; R851-V889 VanDerWaalsContact CZ-CG1 3.44Å; R851-C890 CarbonylContact C-O 3.56Å; R851-C890 WeakPolarHBondContact CA-O 3.42Å; R851-T954 HydrophobicContact CB-CG2 3.85Å; R851-T954 PolarHBondContact N-OG1 3.02Å |
| 852 | V | 91.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 122 | -179.1 | -176.3 | 0 | 0 | 0 | 0 | 109.2 | T850 I854 V872 V889 C890 T892 F920 | T850-V852 HydrophobicContact CG2-CG2 4.36Å; T850-V852 PolarHBondContact O-N 3.11Å; V852-I854 HydrophobicContact CG1-CG1 4.09Å; V852-V872 HydrophobicContact CG2-CG2 4.48Å; V852-V889 WeakPolarHBondContact O-CA 3.37Å; V852-C890 PolarHBondContact N-O 2.91Å; V852-C890 PolarHBondContact O-N 3.02Å; V852-T892 HydrophobicContact CG2-CG2 3.75Å; V852-F920 HydrophobicContact CG2-CD2 4.2Å; V852-F920 HydrophobicContact CG2-CE2 3.77Å; V852-F920 HydrophobicContact CG2-CZ 4.41Å |
| 853 | E | 93.1 | Very high | 90 | Very high | 68 Ų | 68 | 34.8 Ų | 34.8 | 32% | 0.318 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 128.4 | 172.6 | 176.8 | 163.7 | 167.4 | 0 | 0 | 109.9 | I839 F840 T855 K887 | I839-E853 VanDerWaalsContact CA-O 3.28Å; I839-E853 WeakPolarHBondContact CA-O 3.45Å; F840-E853 PolarHBondContact N-O 3.31Å; F840-E853 VanDerWaalsContact N-O 3.09Å; F840-E853 PolarHBondContact O-N 3.08Å; E853-T855 HydrophobicContact CG-CG2 4.45Å; E853-K887 HydrophobicContact CG-CD 4.37Å; E853-K887 WeakPolarHBondContact OE1-CE 3.49Å; E853-K887 IonicContact OE1-NZ 3.42Å; E853-K887 PolarHBondContact OE1-NZ 2.85Å; E853-K887 IonicContact OE2-NZ 3.75Å; E853-K887 PolarHBondContact OE2-NZ 3.19Å |
| 854 | I | 93.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 115.7 | -177 | -50.1 | 168.7 | 0 | 0 | 0 | 108 | V836 V852 V870 K887 V888 V904 V906 | V836-I854 HydrophobicContact CB-CG2 4.45Å; V836-I854 HydrophobicContact CG1-CG2 3.64Å; V836-I854 HydrophobicContact CG2-CG2 4.06Å; V852-I854 HydrophobicContact CG1-CG1 4.09Å; I854-V870 HydrophobicContact CD1-CG1 3.6Å; I854-K887 WeakPolarHBondContact O-CA 3.29Å; I854-V888 HydrophobicContact CB-CB 4.23Å; I854-V888 WeakPolarHBondContact CB-O 3.02Å; I854-V888 HydrophobicContact CD1-CG1 4.43Å; I854-V888 PolarHBondContact N-O 3.49Å; I854-V888 PolarHBondContact O-N 3.16Å; I854-V904 HydrophobicContact CD1-CG1 3.63Å; I854-V904 HydrophobicContact CG1-CG1 4.15Å; I854-V906 HydrophobicContact CD1-CG2 4.23Å; I854-V906 HydrophobicContact CG2-CG2 4Å |
| 855 | T | 92.8 | Very high | 89.8 | Confident | 34 Ų | 34 | 36.5 Ų | 36.5 | 21% | 0.209 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 148 | 179.3 | 51.2 | 0 | 0 | 0 | 0 | 111 | E837 E838 E853 K887 | E837-T855 PolarHBondContact N-O 3.44Å; E838-T855 WeakPolarHBondContact CB-OG1 3.36Å; E838-T855 PolarHBondContact N-OG1 3.06Å; E838-T855 PolarHBondContact O-N 3.38Å; E838-T855 PolarHBondContact O-OG1 3.08Å; E853-T855 HydrophobicContact CG-CG2 4.45Å; T855-K887 HydrophobicContact CG2-CG 4.46Å |
| 856 | G | 90.2 | Very high | 89.6 | Confident | 8 Ų | 8 | 36.4 Ų | 36.4 | 8% | 0.082 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.2 | -165.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | V835 E886 | V835-G856 WeakPolarHBondContact O-CA 3.4Å; G856-E886 PolarHBondContact N-O 3.42Å |
| 857 | R | 90.4 | Very high | 89.3 | Confident | 128 Ų | 128 | 38.6 Ų | 38.6 | 48% | 0.483 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 153.8 | -178.1 | 58.3 | 178.5 | -175.3 | -123.7 | 7.7 | 111.8 | V835 E837 L859 | V835-R857 HydrophobicContact CB-CG 3.8Å; V835-R857 HydrophobicContact CG2-CG 4.22Å; V835-R857 PolarHBondContact N-O 3Å; V835-R857 PolarHBondContact O-N 3.03Å; V835-R857 VanDerWaalsContact O-N 3.1Å; E837-R857 IonicContact OE1-NH1 2.75Å; E837-R857 PolarHBondContact OE1-NH1 3.34Å; R857-L859 PolarHBondContact O-N 3.46Å |
| 858 | D | 88.1 | Confident | 89 | Confident | 12 Ų | 12 | 40 Ų | 40 | 6% | 0.064 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 56 | 33.8 | -176.3 | -62.2 | -64 | 0 | 0 | 0 | 113 | C792 P832 P834 G860 S885 | C792-D858 WeakPolarHBondContact CB-OD1 3.21Å; C792-D858 PolarHBondContact N-OD1 3.22Å; P832-D858 HydrophobicContact CG-CB 4.29Å; P832-D858 VanDerWaalsContact CG-OD2 3.23Å; P832-D858 WeakPolarHBondContact CG-OD2 3.36Å; P834-D858 WeakPolarHBondContact CA-O 3.1Å; P834-D858 VanDerWaalsContact CB-O 3.3Å; P834-D858 WeakPolarHBondContact CB-O 3.32Å; D858-G860 PolarHBondContact O-N 2.79Å; D858-G860 VanDerWaalsContact O-N 3.15Å; D858-S885 WeakPolarHBondContact CA-OG 3.2Å; D858-S885 PolarHBondContact N-OG 2.93Å |
| 859 | L | 88.4 | Confident | 89.1 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -75.4 | 6.5 | -177.4 | -56.4 | 178.7 | 0 | 0 | 0 | 113.4 | P834 R857 V866 Y882 V888 L908 | P834-L859 HydrophobicContact CB-CD2 4.09Å; R857-L859 PolarHBondContact O-N 3.46Å; L859-V866 WeakPolarHBondContact O-CG1 3.12Å; L859-Y882 PolarHBondContact O-OH 2.92Å; L859-V888 HydrophobicContact CB-CG2 4.3Å; L859-V888 HydrophobicContact CD1-CG2 3.99Å; L859-L908 WeakPolarHBondContact O-CD2 3.47Å | ||
| 860 | G | 86.2 | Confident | 89.3 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | 116.6 | 171.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S793 D858 Y882 | S793-G860 WeakPolarHBondContact CB-O 3.3Å; S793-G860 PolarHBondContact OG-O 2.69Å; D858-G860 PolarHBondContact O-N 2.79Å; D858-G860 VanDerWaalsContact O-N 3.15Å; G860-Y882 WeakPolarHBondContact CA-OH 3.4Å; G860-Y882 PolarHBondContact N-OH 2.97Å; G860-Y882 PolarHBondContact O-OH 2.94Å | ||
| 861 | I | 85.7 | Confident | 89.5 | Confident | 21 Ų | 21 | 43.7 Ų | 43.7 | 11% | 0.108 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -96.8 | -37.9 | -178.6 | -52.3 | 169.3 | 0 | 0 | 0 | 109.3 | L796 D797 I828 D865 | L796-I861 HydrophobicContact CB-CD1 3.8Å; L796-I861 HydrophobicContact CB-CG1 4.2Å; L796-I861 HydrophobicContact CD1-CD1 3.66Å; L796-I861 HydrophobicContact CD1-CG1 4.43Å; L796-I861 HydrophobicContact CG-CD1 4.39Å; D797-I861 HydrophobicContact CB-CG2 4.32Å; I828-I861 HydrophobicContact CB-CD1 3.86Å; I828-I861 HydrophobicContact CB-CG1 4.37Å; I828-I861 HydrophobicContact CD1-CG1 4.38Å; I828-I861 HydrophobicContact CG1-CD1 4.42Å; I828-I861 HydrophobicContact CG1-CG1 4.41Å; I861-D865 WeakPolarHBondContact CA-OD2 3.15Å; I861-D865 PolarHBondContact N-OD2 3.26Å |
| 862 | K | 86.8 | Confident | 89.4 | Confident | 130 Ų | 130 | 38.7 Ų | 38.7 | 57% | 0.565 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -130.5 | 154.9 | -176 | -61.3 | 179.3 | -176.3 | 178.8 | 0 | 110.3 | S864 D865 | K862-S864 WeakPolarHBondContact CB-OG 3.43Å; K862-S864 PolarHBondContact O-N 2.93Å; K862-S864 VanDerWaalsContact O-N 3.1Å; K862-D865 PolarHBondContact N-OD2 3.29Å; K862-D865 VanDerWaalsContact O-CB 3.24Å; K862-D865 WeakPolarHBondContact O-CB 3.29Å; K862-D865 PolarHBondContact O-N 2.84Å |
| 863 | Q | 87.8 | Confident | 89.4 | Confident | 87 Ų | 87 | 39.1 Ų | 39.1 | 41% | 0.407 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -54.5 | -32.7 | 173.5 | -177.9 | 172.8 | -13.7 | 0 | 0 | 112.3 | D865 V866 D867 V879 Y882 | Q863-D865 PolarHBondContact O-N 3.2Å; Q863-D865 VanDerWaalsContact O-N 3.13Å; Q863-V866 WeakPolarHBondContact O-CG2 3.21Å; Q863-V866 PolarHBondContact O-N 2.98Å; Q863-D867 WeakPolarHBondContact O-CB 3.45Å; Q863-D867 PolarHBondContact O-N 2.73Å; Q863-V879 HydrophobicContact CG-CG1 4.24Å; Q863-Y882 HydrophobicContact CB-CD1 4.2Å; Q863-Y882 HydrophobicContact CB-CG 4.08Å |
| 864 | S | 87.3 | Confident | 89.2 | Confident | 68 Ų | 68 | 38.9 Ų | 38.9 | 48% | 0.476 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -60.2 | -18.7 | 175.3 | 55.5 | 0 | 0 | 0 | 0 | 114.4 | K862 R869 | K862-S864 WeakPolarHBondContact CB-OG 3.43Å; K862-S864 PolarHBondContact O-N 2.93Å; K862-S864 VanDerWaalsContact O-N 3.1Å; S864-R869 PolarHBondContact O-NH1 3.36Å |
| 865 | D | 86.4 | Confident | 89.1 | Confident | 18 Ų | 18 | 39.4 Ų | 39.4 | 10% | 0.096 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -78.9 | -24.2 | -178.7 | -57 | -22.2 | 0 | 0 | 0 | 111.9 | I828 I861 K862 Q863 R869 L908 D909 | I828-D865 HydrophobicContact CD1-CB 3.85Å; I828-D865 WeakPolarHBondContact CD1-OD2 3.35Å; I861-D865 WeakPolarHBondContact CA-OD2 3.15Å; I861-D865 PolarHBondContact N-OD2 3.26Å; K862-D865 PolarHBondContact N-OD2 3.29Å; K862-D865 VanDerWaalsContact O-CB 3.24Å; K862-D865 WeakPolarHBondContact O-CB 3.29Å; K862-D865 PolarHBondContact O-N 2.84Å; Q863-D865 PolarHBondContact O-N 3.2Å; Q863-D865 VanDerWaalsContact O-N 3.13Å; D865-R869 PolarHBondContact O-NH1 2.92Å; D865-L908 WeakPolarHBondContact O-CA 3.39Å; D865-D909 PolarHBondContact O-N 2.78Å |
| 866 | V | 87.9 | Confident | 89.1 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | -20.2 | -178.5 | -67.7 | 0 | 0 | 0 | 0 | 113.5 | L859 Q863 G868 R869 V870 V879 Y882 V906 L908 | L859-V866 WeakPolarHBondContact O-CG1 3.12Å; Q863-V866 WeakPolarHBondContact O-CG2 3.21Å; Q863-V866 PolarHBondContact O-N 2.98Å; V866-G868 PolarHBondContact O-N 3.22Å; V866-R869 PolarHBondContact O-N 3.02Å; V866-V870 HydrophobicContact CB-CG2 4.35Å; V866-V879 HydrophobicContact CG2-CG1 4.43Å; V866-V879 HydrophobicContact CG2-CG2 4.19Å; V866-Y882 HydrophobicContact CB-CE2 4.5Å; V866-Y882 HydrophobicContact CG1-CE2 4.14Å; V866-Y882 HydrophobicContact CG2-CD2 3.55Å; V866-Y882 HydrophobicContact CG2-CE2 3.53Å; V866-Y882 HydrophobicContact CG2-CG 4.49Å; V866-V906 HydrophobicContact CG1-CG1 3.95Å; V866-L908 HydrophobicContact CG1-CD2 4.01Å |
| 867 | D | 85.8 | Confident | 89.3 | Confident | 82 Ų | 82 | 41.6 Ų | 41.6 | 44% | 0.439 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 132.6 | -178.8 | -167.3 | 29.3 | 0 | 0 | 0 | 111.3 | Q863 R869 | Q863-D867 WeakPolarHBondContact O-CB 3.45Å; Q863-D867 PolarHBondContact O-N 2.73Å; D867-R869 PolarHBondContact O-N 3.23Å; D867-R869 VanDerWaalsContact O-N 3.15Å; D867-R869 PolarHBondContact O-NH1 3.46Å; D867-R869 VanDerWaalsContact O-NH1 3.08Å |
| 868 | G | 86.2 | Confident | 89.4 | Confident | 61 Ų | 61 | 38.5 Ų | 38.5 | 63% | 0.629 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 3 | -173 | 0 | 0 | 0 | 0 | 0 | 116.5 | V866 | V866-G868 PolarHBondContact O-N 3.22Š|
| 869 | R | 90.7 | Very high | 89.6 | Confident | 71 Ų | 71 | 38.6 Ų | 38.6 | 27% | 0.268 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | 4.3 | -174.4 | -61.5 | -176.3 | -162.4 | 79.6 | -8 | 114.7 | S864 D865 V866 D867 R907 D909 | S864-R869 PolarHBondContact O-NH1 3.36Å; D865-R869 PolarHBondContact O-NH1 2.92Å; V866-R869 PolarHBondContact O-N 3.02Å; D867-R869 PolarHBondContact O-N 3.23Å; D867-R869 VanDerWaalsContact O-N 3.15Å; D867-R869 PolarHBondContact O-NH1 3.46Å; D867-R869 VanDerWaalsContact O-NH1 3.08Å; R869-R907 HydrophobicContact CB-CB 4.15Å; R869-R907 WeakPolarHBondContact CB-O 3.08Å; R869-R907 WeakPolarHBondContact O-CB 3.46Å; R869-R907 PolarHBondContact O-N 3.13Å; R869-D909 IonicContact CZ-OD1 3.74Å; R869-D909 IonicContact NE-OD1 2.57Å; R869-D909 PolarHBondContact NE-OD1 3.13Å; R869-D909 IonicContact NH2-OD1 3.84Å; R869-D909 PolarHBondContact NH2-OD1 3.3Å; R869-D909 IonicContact NH2-OD2 3.55Å |
| 870 | V | 93.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 125.7 | 173.1 | -175.8 | 0 | 0 | 0 | 0 | 109.9 | I854 V866 C877 V879 V888 E905 | I854-V870 HydrophobicContact CD1-CG1 3.6Å; V866-V870 HydrophobicContact CB-CG2 4.35Å; V870-C877 HydrophobicContact CB-CB 4.2Å; V870-C877 HydrophobicContact CG1-CB 3.96Å; V870-C877 PolarHBondContact O-N 3.31Å; V870-V879 HydrophobicContact CG2-CG2 3.84Å; V870-V888 HydrophobicContact CG2-CG1 4.18Å; V870-E905 WeakPolarHBondContact CA-O 3.25Å |
| 871 | L | 93.9 | Very high | 89.9 | Confident | 24 Ų | 24 | 44.5 Ų | 44.5 | 13% | 0.126 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 138.3 | 175.8 | -59.9 | 177.4 | 0 | 0 | 0 | 110.7 | V875 T876 V904 E905 R907 | L871-V875 CarbonylContact C-O 3.56Å; L871-V875 WeakPolarHBondContact CA-O 3.5Å; L871-T876 HydrophobicContact CD2-CG2 4.09Å; L871-V904 CarbonylContact O-C 3.57Å; L871-V904 WeakPolarHBondContact O-CA 3.38Å; L871-E905 HydrophobicContact CB-CB 4.29Å; L871-E905 PolarHBondContact N-O 2.76Å; L871-E905 PolarHBondContact O-N 2.87Å; L871-R907 VanDerWaalsContact CD1-NH1 3.25Å |
| 872 | V | 92.4 | Very high | 90 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 108.6 | 176.5 | 176.1 | 0 | 0 | 0 | 0 | 107.1 | V852 G874 V875 C877 T892 V904 F920 F922 | V852-V872 HydrophobicContact CG2-CG2 4.48Å; V872-G874 PolarHBondContact O-N 2.98Å; V872-G874 VanDerWaalsContact O-N 3.13Å; V872-V875 PolarHBondContact N-O 2.84Å; V872-V875 WeakPolarHBondContact O-CB 3.45Å; V872-V875 PolarHBondContact O-N 3.22Å; V872-C877 HydrophobicContact CG2-CB 3.82Å; V872-T892 HydrophobicContact CB-CG2 4.1Å; V872-T892 HydrophobicContact CG1-CG2 4Å; V872-T892 HydrophobicContact CG2-CG2 4.2Å; V872-V904 HydrophobicContact CG1-CG2 4.33Å; V872-V904 HydrophobicContact CG2-CG1 4.3Å; V872-V904 HydrophobicContact CG2-CG2 4.25Å; V872-F920 HydrophobicContact CG1-CB 3.53Å; V872-F920 HydrophobicContact CG1-CD1 3.23Å; V872-F920 HydrophobicContact CG1-CD2 3.82Å; V872-F920 HydrophobicContact CG1-CE1 3.82Å; V872-F920 HydrophobicContact CG1-CE2 4.34Å; V872-F920 HydrophobicContact CG1-CG 3.23Å; V872-F920 HydrophobicContact CG1-CZ 4.33Å; V872-F922 HydrophobicContact CG1-CE2 4.39Å; V872-F922 WeakPolarHBondContact O-CE2 3.36Å |
| 873 | A | 90.6 | Very high | 90.1 | Very high | 10 Ų | 10 | 42.5 Ų | 42.5 | 8% | 0.083 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 35.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114 | V875 P903 F922 | A873-V875 VanDerWaalsContact C-N 3.31Å; A873-V875 PolarHBondContact O-N 3.35Å; A873-P903 PolarHBondContact N-O 3.2Å; A873-F922 HydrophobicContact CB-CD2 4.22Å; A873-F922 HydrophobicContact CB-CE2 4.1Å |
| 874 | G | 89.5 | Confident | 89.9 | Confident | 62 Ų | 62 | 40 Ų | 40 | 64% | 0.639 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | -2.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | V872 | V872-G874 PolarHBondContact O-N 2.98Å; V872-G874 VanDerWaalsContact O-N 3.13Å |
| 875 | V | 91.9 | Very high | 89.5 | Confident | 12 Ų | 12 | 37.1 Ų | 37.1 | 7% | 0.073 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 139.8 | 174.8 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | L871 V872 A873 A893 F922 | L871-V875 CarbonylContact C-O 3.56Å; L871-V875 WeakPolarHBondContact CA-O 3.5Å; V872-V875 PolarHBondContact N-O 2.84Å; V872-V875 WeakPolarHBondContact O-CB 3.45Å; V872-V875 PolarHBondContact O-N 3.22Å; A873-V875 VanDerWaalsContact C-N 3.31Å; A873-V875 PolarHBondContact O-N 3.35Å; V875-A893 HydrophobicContact CG1-CB 3.88Å; V875-A893 WeakPolarHBondContact CG1-O 3.02Å; V875-F922 HydrophobicContact CB-CE2 3.86Å; V875-F922 HydrophobicContact CB-CZ 3.71Å; V875-F922 HydrophobicContact CG1-CZ 3.96Å; V875-F922 HydrophobicContact CG2-CD2 4.28Å; V875-F922 HydrophobicContact CG2-CE2 3.53Å; V875-F922 HydrophobicContact CG2-CZ 3.73Å |
| 876 | T | 92.5 | Very high | 89.6 | Confident | 85 Ų | 85 | 41.3 Ų | 41.3 | 52% | 0.521 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 140.2 | 178.9 | 50.6 | 0 | 0 | 0 | 0 | 111.8 | L871 A893 | L871-T876 HydrophobicContact CD2-CG2 4.09Å; T876-A893 WeakPolarHBondContact O-CB 3.3Å; T876-A893 PolarHBondContact O-N 3.42Å; T876-A893 WeakPolarHBondContact OG1-CB 3.46Å |
| 877 | C | 92.9 | Very high | 89.7 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.02 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 118.1 | 177.8 | -156.1 | 0 | 0 | 0 | 0 | 110 | V870 V872 C890 M891 | V870-C877 HydrophobicContact CB-CB 4.2Å; V870-C877 HydrophobicContact CG1-CB 3.96Å; V870-C877 PolarHBondContact O-N 3.31Å; V872-C877 HydrophobicContact CG2-CB 3.82Å; C877-C890 HydrophobicContact CB-CB 3.77Å; C877-C890 WeakPolarHBondContact CB-SG 3.07Å; C877-C890 WeakPolarHBondContact SG-CB 2.97Å; C877-C890 CovalentContact SG-SG 2.03Å; C877-C890 PolarHBondContact SG-SG 2.76Å; C877-M891 CarbonylContact C-O 3.58Å; C877-M891 VanDerWaalsContact CA-O 3.32Å; C877-M891 WeakPolarHBondContact CA-O 3.4Å; C877-M891 PolarHBondContact SG-N 3.19Å |
| 878 | S | 93.2 | Very high | 90.1 | Very high | 63 Ų | 63 | 39.5 Ų | 39.5 | 44% | 0.441 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 123.8 | -177.4 | 51.9 | 0 | 0 | 0 | 0 | 111.1 | T880 C890 M891 | S878-T880 PolarHBondContact O-N 2.97Å; S878-C890 CarbonylContact O-C 3.55Å; S878-C890 WeakPolarHBondContact O-CA 3.32Å; S878-C890 WeakPolarHBondContact O-CB 3.08Å; S878-M891 PolarHBondContact N-O 3.15Å; S878-M891 PolarHBondContact O-N 3.12Å; S878-M891 PolarHBondContact OG-O 3.4Å |
| 879 | V | 91.6 | Very high | 90.4 | Very high | 13 Ų | 13 | 36.6 Ų | 36.6 | 8% | 0.079 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 126.4 | -176.7 | -179.4 | 0 | 0 | 0 | 0 | 110 | Q863 V866 V870 V888 C890 | Q863-V879 HydrophobicContact CG-CG1 4.24Å; V866-V879 HydrophobicContact CG2-CG1 4.43Å; V866-V879 HydrophobicContact CG2-CG2 4.19Å; V870-V879 HydrophobicContact CG2-CG2 3.84Å; V879-V888 HydrophobicContact CG1-CG1 4.17Å; V879-V888 HydrophobicContact CG2-CG1 4.05Å; V879-C890 HydrophobicContact CG2-CB 4.44Å |
| 880 | T | 90 | Very high | 90.5 | Very high | 55 Ų | 55 | 33.2 Ų | 33.2 | 34% | 0.337 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | -26.3 | -179.1 | 55.8 | 0 | 0 | 0 | 0 | 113.6 | S878 V889 M891 | S878-T880 PolarHBondContact O-N 2.97Å; T880-V889 PolarHBondContact N-O 2.82Å; T880-V889 PolarHBondContact OG1-O 3.34Å; T880-M891 HydrophobicContact CG2-CE 3.46Å; T880-M891 VanDerWaalsContact CG2-CE 3.46Å; T880-M891 HydrophobicContact CG2-CG 3.88Å; T880-M891 HydrophobicContact CG2-SD 4Å |
| 881 | E | 91.2 | Very high | 90.5 | Very high | 69 Ų | 69 | 37 Ų | 37 | 32% | 0.322 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 135.1 | -175.9 | -166.2 | -176.1 | 157.1 | 0 | 0 | 108.9 | R851 H883 V889 | R851-E881 IonicContact NH2-OE2 3.87Å; R851-E881 PolarHBondContact NH2-OE2 3.1Å; E881-H883 IonicContact OE1-CD2 2.72Å; E881-H883 IonicContact OE1-CE1 3.57Å; E881-H883 IonicContact OE1-NE2 2.86Å; E881-H883 PolarHBondContact OE1-NE2 2.88Å; E881-V889 HydrophobicContact CB-CB 3.93Å; E881-V889 HydrophobicContact CB-CG2 4.03Å; E881-V889 PolarHBondContact N-O 3.27Å; E881-V889 PolarHBondContact O-N 3.5Å |
| 882 | Y | 89.2 | Confident | 90.5 | Very high | 32 Ų | 32 | 36 Ų | 36 | 13% | 0.125 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 124.1 | -176.7 | -173.3 | -100.5 | 0 | 0 | 0 | 111.1 | L859 G860 Q863 V866 V888 | L859-Y882 PolarHBondContact O-OH 2.92Å; G860-Y882 WeakPolarHBondContact CA-OH 3.4Å; G860-Y882 PolarHBondContact N-OH 2.97Å; G860-Y882 PolarHBondContact O-OH 2.94Å; Q863-Y882 HydrophobicContact CB-CD1 4.2Å; Q863-Y882 HydrophobicContact CB-CG 4.08Å; V866-Y882 HydrophobicContact CB-CE2 4.5Å; V866-Y882 HydrophobicContact CG1-CE2 4.14Å; V866-Y882 HydrophobicContact CG2-CD2 3.55Å; V866-Y882 HydrophobicContact CG2-CE2 3.53Å; V866-Y882 HydrophobicContact CG2-CG 4.49Å; Y882-V888 HydrophobicContact CD2-CG2 3.85Å; Y882-V888 HydrophobicContact CE2-CG2 3.8Å |
| 883 | H | 87.9 | Confident | 90.4 | Very high | 77 Ų | 77 | 37.7 Ų | 37.7 | 36% | 0.356 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 121 | 172.6 | -65.8 | -98.8 | 0 | 0 | 0 | 108.4 | E881 S885 E886 K887 | E881-H883 IonicContact OE1-CD2 2.72Å; E881-H883 IonicContact OE1-CE1 3.57Å; E881-H883 IonicContact OE1-NE2 2.86Å; E881-H883 PolarHBondContact OE1-NE2 2.88Å; H883-S885 PolarHBondContact O-N 3.05Å; H883-E886 HydrophobicContact CB-CB 4.05Å; H883-E886 PolarHBondContact O-N 3.49Å; H883-K887 HydrophobicContact CB-CB 4.32Å; H883-K887 PolarHBondContact N-O 3.26Å; H883-K887 PolarHBondContact O-N 3.32Å |
| 884 | T | 82.9 | Confident | 90.5 | Very high | 36 Ų | 36 | 45.4 Ų | 45.4 | 22% | 0.221 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | 112.2 | -172.1 | -50.9 | 0 | 0 | 0 | 0 | 111.2 | R794 D797 E886 | R794-T884 HydrophobicContact CG-CG2 4.48Å; R794-T884 PolarHBondContact NE-O 2.66Å; D797-T884 HydrophobicContact CB-CG2 4.13Å; T884-E886 VanDerWaalsContact C-N 3.27Å; T884-E886 PolarHBondContact O-N 3.45Å |
| 885 | S | 80.2 | Confident | 90.5 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 22.9 | 179.4 | -144.7 | 0 | 0 | 0 | 0 | 116.4 | D791 D858 H883 | D791-S885 VanDerWaalsContact CG-OG 3.31Å; D791-S885 WeakPolarHBondContact OD1-CB 3.08Å; D791-S885 PolarHBondContact OD1-OG 2.97Å; D858-S885 WeakPolarHBondContact CA-OG 3.2Å; D858-S885 PolarHBondContact N-OG 2.93Å; H883-S885 PolarHBondContact O-N 3.05Å |
| 886 | E | 87.3 | Confident | 90.2 | Very high | 106 Ų | 106 | 48 Ų | 48 | 50% | 0.495 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.6 | -49.4 | -176.4 | -176.5 | 173.3 | 169.1 | 0 | 0 | 113.9 | R794 G856 H883 T884 | R794-E886 IonicContact NH2-OE2 2.73Å; R794-E886 PolarHBondContact NH2-OE2 2.81Å; G856-E886 PolarHBondContact N-O 3.42Å; H883-E886 HydrophobicContact CB-CB 4.05Å; H883-E886 PolarHBondContact O-N 3.49Å; T884-E886 VanDerWaalsContact C-N 3.27Å; T884-E886 PolarHBondContact O-N 3.45Å |
| 887 | K | 91.4 | Very high | 89.6 | Confident | 45 Ų | 45 | 50.7 Ų | 50.7 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 136.9 | -170.5 | 176.7 | 172.5 | 167.3 | 162.2 | 0 | 112.7 | E853 I854 T855 H883 V889 | E853-K887 HydrophobicContact CG-CD 4.37Å; E853-K887 WeakPolarHBondContact OE1-CE 3.49Å; E853-K887 IonicContact OE1-NZ 3.42Å; E853-K887 PolarHBondContact OE1-NZ 2.85Å; E853-K887 IonicContact OE2-NZ 3.75Å; E853-K887 PolarHBondContact OE2-NZ 3.19Å; I854-K887 WeakPolarHBondContact O-CA 3.29Å; T855-K887 HydrophobicContact CG2-CG 4.46Å; H883-K887 HydrophobicContact CB-CB 4.32Å; H883-K887 PolarHBondContact N-O 3.26Å; H883-K887 PolarHBondContact O-N 3.32Å; K887-V889 HydrophobicContact CD-CG2 4.31Å; K887-V889 HydrophobicContact CG-CG2 4.1Å |
| 888 | V | 92.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 125.1 | 172.8 | 179.4 | 0 | 0 | 0 | 0 | 108.6 | I854 L859 V870 V879 Y882 | I854-V888 HydrophobicContact CB-CB 4.23Å; I854-V888 WeakPolarHBondContact CB-O 3.02Å; I854-V888 HydrophobicContact CD1-CG1 4.43Å; I854-V888 PolarHBondContact N-O 3.49Å; I854-V888 PolarHBondContact O-N 3.16Å; L859-V888 HydrophobicContact CB-CG2 4.3Å; L859-V888 HydrophobicContact CD1-CG2 3.99Å; V870-V888 HydrophobicContact CG2-CG1 4.18Å; V879-V888 HydrophobicContact CG1-CG1 4.17Å; V879-V888 HydrophobicContact CG2-CG1 4.05Å; Y882-V888 HydrophobicContact CD2-CG2 3.85Å; Y882-V888 HydrophobicContact CE2-CG2 3.8Å |
| 889 | V | 93.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 125 | 174.2 | -170.2 | 0 | 0 | 0 | 0 | 109.7 | R851 V852 T880 E881 K887 | R851-V889 HydrophobicContact CG-CG1 3.65Å; R851-V889 VanDerWaalsContact CZ-CG1 3.44Å; V852-V889 WeakPolarHBondContact O-CA 3.37Å; T880-V889 PolarHBondContact N-O 2.82Å; T880-V889 PolarHBondContact OG1-O 3.34Å; E881-V889 HydrophobicContact CB-CB 3.93Å; E881-V889 HydrophobicContact CB-CG2 4.03Å; E881-V889 PolarHBondContact N-O 3.27Å; E881-V889 PolarHBondContact O-N 3.5Å; K887-V889 HydrophobicContact CD-CG2 4.31Å; K887-V889 HydrophobicContact CG-CG2 4.1Å |
| 890 | C | 93.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 159.4 | -176 | 75.3 | 0 | 0 | 0 | 0 | 113.1 | R851 V852 C877 S878 V879 | R851-C890 CarbonylContact C-O 3.56Å; R851-C890 WeakPolarHBondContact CA-O 3.42Å; V852-C890 PolarHBondContact N-O 2.91Å; V852-C890 PolarHBondContact O-N 3.02Å; C877-C890 HydrophobicContact CB-CB 3.77Å; C877-C890 WeakPolarHBondContact CB-SG 3.07Å; C877-C890 WeakPolarHBondContact SG-CB 2.97Å; C877-C890 CovalentContact SG-SG 2.03Å; C877-C890 PolarHBondContact SG-SG 2.76Å; S878-C890 CarbonylContact O-C 3.55Å; S878-C890 WeakPolarHBondContact O-CA 3.32Å; S878-C890 WeakPolarHBondContact O-CB 3.08Å; V879-C890 HydrophobicContact CG2-CB 4.44Å |
| 891 | M | 93.2 | Very high | 88.8 | Confident | 79 Ų | 79 | 55.4 Ų | 55.4 | 39% | 0.389 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 127.3 | 175.2 | -66.8 | -177.1 | -57 | 0 | 0 | 110.8 | T850 C877 S878 T880 | T850-M891 WeakPolarHBondContact O-CA 3.06Å; C877-M891 CarbonylContact C-O 3.58Å; C877-M891 VanDerWaalsContact CA-O 3.32Å; C877-M891 WeakPolarHBondContact CA-O 3.4Å; C877-M891 PolarHBondContact SG-N 3.19Å; S878-M891 PolarHBondContact N-O 3.15Å; S878-M891 PolarHBondContact O-N 3.12Å; S878-M891 PolarHBondContact OG-O 3.4Å; T880-M891 HydrophobicContact CG2-CE 3.46Å; T880-M891 VanDerWaalsContact CG2-CE 3.46Å; T880-M891 HydrophobicContact CG2-CG 3.88Å; T880-M891 HydrophobicContact CG2-SD 4Å |
| 892 | T | 92.8 | Very high | 88.9 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 3% | 0.025 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 139.3 | -178.8 | 57.3 | 0 | 0 | 0 | 0 | 112 | G849 T850 V852 V872 F920 F922 | G849-T892 PolarHBondContact N-O 2.63Å; G849-T892 PolarHBondContact N-OG1 2.93Å; T850-T892 WeakPolarHBondContact CB-OG1 3.43Å; T850-T892 PolarHBondContact N-OG1 2.82Å; T850-T892 VanDerWaalsContact N-OG1 3.08Å; T850-T892 PolarHBondContact O-N 3.43Å; V852-T892 HydrophobicContact CG2-CG2 3.75Å; V872-T892 HydrophobicContact CB-CG2 4.1Å; V872-T892 HydrophobicContact CG1-CG2 4Å; V872-T892 HydrophobicContact CG2-CG2 4.2Å; T892-F920 HydrophobicContact CG2-CE1 4.49Å; T892-F920 HydrophobicContact CG2-CZ 4.28Å; T892-F922 HydrophobicContact CG2-CZ 4.17Å |
| 893 | A | 91.5 | Very high | 89.1 | Confident | 35 Ų | 35 | 52.1 Ų | 52.1 | 29% | 0.289 | 28% | 0.281 | S | S | . | . | trans | -75.9 | 176.7 | 166 | 0 | 0 | 0 | 0 | 0 | 111.5 | G848 V875 T876 | G848-A893 WeakPolarHBondContact CA-O 3.09Å; V875-A893 HydrophobicContact CG1-CB 3.88Å; V875-A893 WeakPolarHBondContact CG1-O 3.02Å; T876-A893 WeakPolarHBondContact O-CB 3.3Å; T876-A893 PolarHBondContact O-N 3.42Å; T876-A893 WeakPolarHBondContact OG1-CB 3.46Å | ||
| 894 | R | 92.1 | Very high | 89.4 | Confident | 171 Ų | 171 | 48.5 Ų | 48.5 | 65% | 0.645 | 26% | 0.264 | S | S | * | . | trans | -66 | 135.7 | 173.4 | 173.8 | 179.4 | -69.8 | -150.3 | -3.4 | 111.2 | I846 | I846-R894 WeakPolarHBondContact O-CA 3.49Š| ||
| 895 | S | 89.6 | Confident | 89.9 | Confident | 9 Ų | 9 | 48 Ų | 48 | 6% | 0.063 | 26% | 0.26 | C | S | . | . | trans | -75.6 | 120.4 | 167.2 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | I846 H897 G898 | I846-S895 PolarHBondContact O-N 2.69Å; S895-H897 VanDerWaalsContact C-N 3.31Å; S895-H897 PolarHBondContact OG-N 2.94Å; S895-G898 PolarHBondContact OG-O 2.82Å | ||
| 896 | T | 84.9 | Confident | 90.5 | Very high | 119 Ų | 119 | 47.8 Ų | 47.8 | 73% | 0.73 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -12 | 173.4 | 53.2 | 0 | 0 | 0 | 0 | 113.3 | ||
| 897 | H | 81.2 | Confident | 90.7 | Very high | 143 Ų | 143 | 47.9 Ų | 47.9 | 66% | 0.662 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | 10.8 | -172.8 | -59.7 | 101.3 | 0 | 0 | 0 | 113.1 | S895 I900 | S895-H897 VanDerWaalsContact C-N 3.31Å; S895-H897 PolarHBondContact OG-N 2.94Å; H897-I900 HydrophobicContact CB-CD1 4.32Å |
| 898 | G | 82 | Confident | 90.5 | Very high | 23 Ų | 23 | 45.9 Ų | 45.9 | 24% | 0.237 | 25% | 0.245 | C | C | . | . | S | Bend | trans | 69.8 | -150.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S895 I900 | S895-G898 PolarHBondContact OG-O 2.82Å; G898-I900 PolarHBondContact O-N 2.98Å |
| 899 | P | 85.7 | Confident | 90 | Very high | 94 Ų | 94 | 50.8 Ų | 50.8 | 61% | 0.61 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -61.9 | 121.9 | 176.5 | -21.3 | 33.2 | 0 | 0 | 0 | 111.6 | I846 F922 | I846-P899 HydrophobicContact CG2-CG 4.5Å; P899-F922 WeakPolarHBondContact CA-O 3.49Å; P899-F922 WeakPolarHBondContact CB-O 3.48Å |
| 900 | I | 91.7 | Very high | 89.2 | Confident | 53 Ų | 53 | 53.4 Ų | 53.4 | 27% | 0.272 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 142.6 | -175.8 | -171.1 | 170.8 | 0 | 0 | 0 | 110.4 | H897 G898 T921 F922 | H897-I900 HydrophobicContact CB-CD1 4.32Å; G898-I900 PolarHBondContact O-N 2.98Å; I900-T921 CarbonylContact O-C 3.52Å; I900-T921 WeakPolarHBondContact O-CA 3.47Å; I900-F922 HydrophobicContact CG2-CB 4.06Å; I900-F922 HydrophobicContact CG2-CD2 3.61Å; I900-F922 HydrophobicContact CG2-CE2 4.46Å; I900-F922 HydrophobicContact CG2-CG 4.16Å; I900-F922 PolarHBondContact N-O 2.78Å; I900-F922 PolarHBondContact O-N 2.98Å |
| 901 | S | 91.7 | Very high | 88.5 | Confident | 63 Ų | 63 | 56.3 Ų | 56.3 | 44% | 0.441 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 138.3 | 178 | -170.8 | 0 | 0 | 0 | 0 | 110.6 | F920 T921 | S901-F920 WeakPolarHBondContact CA-O 3.49Å; S901-T921 PolarHBondContact OG-OG1 2.89Å |
| 902 | G | 92.1 | Very high | 88.2 | Confident | 7 Ų | 7 | 57.5 Ų | 57.5 | 7% | 0.072 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.8 | 172.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | H919 F920 | G902-H919 CarbonylContact O-C 3.55Å; G902-H919 WeakPolarHBondContact O-CA 3.33Å; G902-F920 PolarHBondContact N-O 2.68Å; G902-F920 PolarHBondContact O-N 3.14Å |
| 903 | P | 93.9 | Very high | 88.1 | Confident | 25 Ų | 25 | 63.3 Ų | 63.3 | 16% | 0.162 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 160.9 | -178.4 | 29.9 | -34.8 | 0 | 0 | 0 | 112.6 | A873 | A873-P903 PolarHBondContact N-O 3.2Å |
| 904 | V | 93.7 | Very high | 88 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 128.2 | 165.8 | -179.9 | 0 | 0 | 0 | 0 | 108.4 | I839 I854 L871 V872 R915 S916 F920 | I839-V904 HydrophobicContact CD1-CG2 3.71Å; I839-V904 HydrophobicContact CG2-CB 4.18Å; I839-V904 HydrophobicContact CG2-CG2 4.02Å; I854-V904 HydrophobicContact CD1-CG1 3.63Å; I854-V904 HydrophobicContact CG1-CG1 4.15Å; L871-V904 CarbonylContact O-C 3.57Å; L871-V904 WeakPolarHBondContact O-CA 3.38Å; V872-V904 HydrophobicContact CG1-CG2 4.33Å; V872-V904 HydrophobicContact CG2-CG1 4.3Å; V872-V904 HydrophobicContact CG2-CG2 4.25Å; V904-R915 CarbonylContact O-C 3.58Å; V904-R915 WeakPolarHBondContact O-CA 3.34Å; V904-S916 WeakPolarHBondContact CB-OG 3.14Å; V904-S916 PolarHBondContact N-OG 2.82Å; V904-S916 PolarHBondContact O-N 3.38Å; V904-F920 HydrophobicContact CG2-CB 4.26Å |
| 905 | E | 93.8 | Very high | 88 | Confident | 27 Ų | 27 | 60.2 Ų | 60.2 | 13% | 0.126 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 117 | -178.1 | -53.5 | -172.5 | 167.3 | 0 | 0 | 109.8 | V870 L871 R907 G914 R915 | V870-E905 WeakPolarHBondContact CA-O 3.25Å; L871-E905 HydrophobicContact CB-CB 4.29Å; L871-E905 PolarHBondContact N-O 2.76Å; L871-E905 PolarHBondContact O-N 2.87Å; E905-R907 IonicContact OE2-CZ 2.86Å; E905-R907 IonicContact OE2-NE 3.69Å; E905-R907 IonicContact OE2-NH2 3.7Å; E905-R907 PolarHBondContact OE2-NH2 3.2Å; E905-G914 WeakPolarHBondContact CA-O 3.32Å; E905-R915 HydrophobicContact CG-CG 4.41Å; E905-R915 IonicContact OE1-CZ 3.8Å; E905-R915 IonicContact OE1-NE 2.96Å; E905-R915 PolarHBondContact OE1-NE 2.84Å; E905-R915 IonicContact OE1-NH2 3.45Å; E905-R915 PolarHBondContact OE1-NH2 3.37Å |
| 906 | V | 92.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 109.1 | 172.2 | -179.9 | 0 | 0 | 0 | 0 | 107.4 | V836 I854 V866 Y913 G914 | V836-V906 HydrophobicContact CG2-CB 4.3Å; V836-V906 HydrophobicContact CG2-CG2 3.78Å; I854-V906 HydrophobicContact CD1-CG2 4.23Å; I854-V906 HydrophobicContact CG2-CG2 4Å; V866-V906 HydrophobicContact CG1-CG1 3.95Å; V906-Y913 CarbonylContact O-C 3.52Å; V906-Y913 WeakPolarHBondContact O-CA 3.47Å; V906-G914 PolarHBondContact N-O 3.05Å; V906-G914 PolarHBondContact O-N 3.19Å |
| 907 | R | 91.4 | Very high | 88.3 | Confident | 108 Ų | 108 | 64 Ų | 64 | 41% | 0.408 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 129.9 | 178.2 | -55.9 | -179.4 | 178.6 | 159.6 | -0.4 | 109.5 | R869 L871 E905 | R869-R907 HydrophobicContact CB-CB 4.15Å; R869-R907 WeakPolarHBondContact CB-O 3.08Å; R869-R907 WeakPolarHBondContact O-CB 3.46Å; R869-R907 PolarHBondContact O-N 3.13Å; L871-R907 VanDerWaalsContact CD1-NH1 3.25Å; E905-R907 IonicContact OE2-CZ 2.86Å; E905-R907 IonicContact OE2-NE 3.69Å; E905-R907 IonicContact OE2-NH2 3.7Å; E905-R907 PolarHBondContact OE2-NH2 3.2Å |
| 908 | L | 87.2 | Confident | 88.5 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | trans | -87.3 | 161.2 | 173.8 | -57.8 | 178.3 | 0 | 0 | 0 | 110.2 | I828 P834 L859 D865 V866 N910 G911 R912 | I828-L908 HydrophobicContact CD1-CB 4.45Å; I828-L908 HydrophobicContact CD1-CD1 4.12Å; I828-L908 HydrophobicContact CD1-CD2 4.3Å; I828-L908 HydrophobicContact CG1-CD1 4.29Å; P834-L908 HydrophobicContact CB-CD1 4.28Å; P834-L908 HydrophobicContact CB-CG 4.44Å; P834-L908 HydrophobicContact CG-CD1 3.96Å; P834-L908 HydrophobicContact CG-CG 3.94Å; L859-L908 WeakPolarHBondContact O-CD2 3.47Å; D865-L908 WeakPolarHBondContact O-CA 3.39Å; V866-L908 HydrophobicContact CG1-CD2 4.01Å; L908-N910 WeakPolarHBondContact CB-OD1 3.37Å; L908-N910 PolarHBondContact O-N 3.18Å; L908-N910 VanDerWaalsContact O-N 3.11Å; L908-G911 PolarHBondContact O-N 3.32Å; L908-R912 PolarHBondContact N-O 3.26Å | ||
| 909 | D | 81.7 | Confident | 89 | Confident | 103 Ų | 103 | 63.5 Ų | 63.5 | 55% | 0.551 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -22.8 | 177.7 | -161.8 | 36 | 0 | 0 | 0 | 113.9 | D865 R869 G911 | D865-D909 PolarHBondContact O-N 2.78Å; R869-D909 IonicContact CZ-OD1 3.74Å; R869-D909 IonicContact NE-OD1 2.57Å; R869-D909 PolarHBondContact NE-OD1 3.13Å; R869-D909 IonicContact NH2-OD1 3.84Å; R869-D909 PolarHBondContact NH2-OD1 3.3Å; R869-D909 IonicContact NH2-OD2 3.55Å; D909-G911 VanDerWaalsContact C-N 3.3Å; D909-G911 PolarHBondContact O-N 3.33Å |
| 910 | N | 76.7 | Confident | 89.4 | Confident | 54 Ų | 54 | 59 Ų | 59 | 29% | 0.289 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 4.6 | 177.7 | 68.4 | 8.7 | 0 | 0 | 0 | 114.6 | I828 L908 R912 | I828-N910 HydrophobicContact CG2-CB 4.19Å; I828-N910 PolarHBondContact O-ND2 3.13Å; L908-N910 WeakPolarHBondContact CB-OD1 3.37Å; L908-N910 PolarHBondContact O-N 3.18Å; L908-N910 VanDerWaalsContact O-N 3.11Å; N910-R912 VanDerWaalsContact C-N 3.28Å; N910-R912 PolarHBondContact O-N 3.36Å; N910-R912 VanDerWaalsContact OD1-CB 3.27Å; N910-R912 WeakPolarHBondContact OD1-CB 3.47Å; N910-R912 WeakPolarHBondContact OD1-CG 3.27Å; N910-R912 PolarHBondContact OD1-N 3.07Å |
| 911 | G | 80.3 | Confident | 89.4 | Confident | 61 Ų | 61 | 58.5 Ų | 58.5 | 63% | 0.629 | 30% | 0.297 | S | S | * | . | S | Bend | trans | 80.2 | -3.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L908 D909 | L908-G911 PolarHBondContact O-N 3.32Å; D909-G911 VanDerWaalsContact C-N 3.3Å; D909-G911 PolarHBondContact O-N 3.33Å |
| 912 | R | 85.8 | Confident | 89.5 | Confident | 105 Ų | 105 | 55.5 Ų | 55.5 | 40% | 0.396 | 28% | 0.276 | S | S | . | . | trans | -73.9 | 145.1 | 168.6 | -60.4 | -174.7 | -175.4 | -158.3 | 1 | 109.4 | G829 C831 A833 L908 N910 | G829-R912 PolarHBondContact O-NH2 3.46Å; C831-R912 PolarHBondContact O-NH1 3.29Å; A833-R912 HydrophobicContact CB-CB 4.36Å; L908-R912 PolarHBondContact N-O 3.26Å; N910-R912 VanDerWaalsContact C-N 3.28Å; N910-R912 PolarHBondContact O-N 3.36Å; N910-R912 VanDerWaalsContact OD1-CB 3.27Å; N910-R912 WeakPolarHBondContact OD1-CB 3.47Å; N910-R912 WeakPolarHBondContact OD1-CG 3.27Å; N910-R912 PolarHBondContact OD1-N 3.07Å | ||
| 913 | Y | 89.8 | Confident | 89.4 | Confident | 126 Ų | 126 | 55.8 Ų | 55.8 | 49% | 0.494 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 156.2 | -177.6 | 70 | -86.6 | 0 | 0 | 0 | 112.1 | V906 R915 | V906-Y913 CarbonylContact O-C 3.52Å; V906-Y913 WeakPolarHBondContact O-CA 3.47Å; Y913-R915 HydrophobicContact CD2-CG 3.9Å; Y913-R915 HydrophobicContact CE2-CG 3.77Å |
| 914 | G | 89.5 | Confident | 89.1 | Confident | 4 Ų | 4 | 58 Ų | 58 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 142.5 | 177 | 0 | 0 | 0 | 0 | 0 | 109.2 | P834 E905 V906 | P834-G914 VanDerWaalsContact O-CA 3.22Å; P834-G914 WeakPolarHBondContact O-CA 3.14Å; E905-G914 WeakPolarHBondContact CA-O 3.32Å; V906-G914 PolarHBondContact N-O 3.05Å; V906-G914 PolarHBondContact O-N 3.19Å |
| 915 | R | 92.7 | Very high | 88.9 | Confident | 136 Ų | 136 | 58.1 Ų | 58.1 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 138.5 | 177.6 | -54.8 | -175.6 | 94.3 | 169.8 | 5.1 | 109.8 | V904 E905 Y913 | V904-R915 CarbonylContact O-C 3.58Å; V904-R915 WeakPolarHBondContact O-CA 3.34Å; E905-R915 HydrophobicContact CG-CG 4.41Å; E905-R915 IonicContact OE1-CZ 3.8Å; E905-R915 IonicContact OE1-NE 2.96Å; E905-R915 PolarHBondContact OE1-NE 2.84Å; E905-R915 IonicContact OE1-NH2 3.45Å; E905-R915 PolarHBondContact OE1-NH2 3.37Å; Y913-R915 HydrophobicContact CD2-CG 3.9Å; Y913-R915 HydrophobicContact CE2-CG 3.77Å |
| 916 | S | 92.1 | Very high | 88.7 | Confident | 11 Ų | 11 | 59.5 Ų | 59.5 | 8% | 0.077 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 148 | 169.7 | 63.1 | 0 | 0 | 0 | 0 | 111.3 | V904 S918 | V904-S916 WeakPolarHBondContact CB-OG 3.14Å; V904-S916 PolarHBondContact N-OG 2.82Å; V904-S916 PolarHBondContact O-N 3.38Å; S916-S918 WeakPolarHBondContact CB-O 3.46Å; S916-S918 PolarHBondContact OG-O 2.93Å |
| 917 | Q | 88.6 | Confident | 88.6 | Confident | 198 Ų | 198 | 60.8 Ų | 60.8 | 93% | 0.925 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | -31 | 171.2 | -65.5 | -171 | 5.6 | 0 | 0 | 112.3 | ||
| 918 | S | 86 | Confident | 88.5 | Confident | 49 Ų | 49 | 60.9 Ų | 60.9 | 34% | 0.343 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 143.2 | 175.6 | 42.2 | 0 | 0 | 0 | 0 | 111.5 | I839 S916 | I839-S918 WeakPolarHBondContact CD1-O 3.45Å; I839-S918 WeakPolarHBondContact CD1-OG 3.31Å; I839-S918 VanDerWaalsContact CG1-OG 3.27Å; I839-S918 WeakPolarHBondContact CG1-OG 3.39Å; S916-S918 WeakPolarHBondContact CB-O 3.46Å; S916-S918 PolarHBondContact OG-O 2.93Å |
| 919 | H | 93.2 | Very high | 88.7 | Confident | 106 Ų | 106 | 62.7 Ų | 62.7 | 49% | 0.491 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 146.6 | 175.5 | -73.3 | -163.5 | 0 | 0 | 0 | 111.3 | G902 | G902-H919 CarbonylContact O-C 3.55Å; G902-H919 WeakPolarHBondContact O-CA 3.33Å |
| 920 | F | 93.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 139.6 | 164.2 | -174.4 | -85.1 | 0 | 0 | 0 | 109.9 | P841 T842 T850 V852 V872 T892 S901 G902 V904 F922 | P841-F920 WeakPolarHBondContact O-CD2 3.38Å; T842-F920 CarbonylContact O-C 3.56Å; T842-F920 VanDerWaalsContact O-CA 3.29Å; T842-F920 WeakPolarHBondContact O-CA 3.4Å; T850-F920 HydrophobicContact CG2-CE2 4Å; T850-F920 HydrophobicContact CG2-CZ 3.91Å; V852-F920 HydrophobicContact CG2-CD2 4.2Å; V852-F920 HydrophobicContact CG2-CE2 3.77Å; V852-F920 HydrophobicContact CG2-CZ 4.41Å; V872-F920 HydrophobicContact CG1-CB 3.53Å; V872-F920 HydrophobicContact CG1-CD1 3.23Å; V872-F920 HydrophobicContact CG1-CD2 3.82Å; V872-F920 HydrophobicContact CG1-CE1 3.82Å; V872-F920 HydrophobicContact CG1-CE2 4.34Å; V872-F920 HydrophobicContact CG1-CG 3.23Å; V872-F920 HydrophobicContact CG1-CZ 4.33Å; T892-F920 HydrophobicContact CG2-CE1 4.49Å; T892-F920 HydrophobicContact CG2-CZ 4.28Å; S901-F920 WeakPolarHBondContact CA-O 3.49Å; G902-F920 PolarHBondContact N-O 2.68Å; G902-F920 PolarHBondContact O-N 3.14Å; V904-F920 HydrophobicContact CG2-CB 4.26Å; F920-F922 HydrophobicContact CD1-CD2 4.03Å; F920-F922 AromaticContact CD1-CE2 3.88Å; F920-F922 HydrophobicContact CD1-CE2 3.88Å; F920-F922 HydrophobicContact CD1-CZ 4.3Å; F920-F922 HydrophobicContact CE1-CD1 4.11Å; F920-F922 AromaticContact CE1-CD2 3.95Å; F920-F922 HydrophobicContact CE1-CD2 3.95Å; F920-F922 AromaticContact CE1-CE1 3.97Å; F920-F922 HydrophobicContact CE1-CE1 3.97Å; F920-F922 AromaticContact CE1-CE2 3.8Å; F920-F922 HydrophobicContact CE1-CE2 3.8Å; F920-F922 HydrophobicContact CE1-CG 4.11Å; F920-F922 AromaticContact CE1-CZ 3.82Å; F920-F922 HydrophobicContact CE1-CZ 3.82Å |
| 921 | T | 92.4 | Very high | 90 | Very high | 41 Ų | 41 | 60.8 Ų | 60.8 | 25% | 0.252 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 120.9 | -178.5 | -52.7 | 0 | 0 | 0 | 0 | 112.5 | T842 M843 G844 I900 S901 V923 | T842-T921 PolarHBondContact O-N 3.38Å; M843-T921 VanDerWaalsContact CA-O 3.25Å; M843-T921 WeakPolarHBondContact CA-O 3.23Å; G844-T921 PolarHBondContact N-O 3.29Å; I900-T921 CarbonylContact O-C 3.52Å; I900-T921 WeakPolarHBondContact O-CA 3.47Å; S901-T921 PolarHBondContact OG-OG1 2.89Å; T921-V923 HydrophobicContact CG2-CG1 4.06Å |
| 922 | F | 92 | Very high | 90.6 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 127.6 | 168.9 | -69.8 | -88.6 | 0 | 0 | 0 | 110.6 | G844 P845 I846 V872 A873 V875 T892 P899 I900 F920 | G844-F922 CarbonylContact O-C 3.44Å; G844-F922 VanDerWaalsContact O-CA 3.25Å; G844-F922 WeakPolarHBondContact O-CA 3.43Å; P845-F922 WeakPolarHBondContact O-CD1 3.08Å; I846-F922 HydrophobicContact CG2-CB 4.35Å; V872-F922 HydrophobicContact CG1-CE2 4.39Å; V872-F922 WeakPolarHBondContact O-CE2 3.36Å; A873-F922 HydrophobicContact CB-CD2 4.22Å; A873-F922 HydrophobicContact CB-CE2 4.1Å; V875-F922 HydrophobicContact CB-CE2 3.86Å; V875-F922 HydrophobicContact CB-CZ 3.71Å; V875-F922 HydrophobicContact CG1-CZ 3.96Å; V875-F922 HydrophobicContact CG2-CD2 4.28Å; V875-F922 HydrophobicContact CG2-CE2 3.53Å; V875-F922 HydrophobicContact CG2-CZ 3.73Å; T892-F922 HydrophobicContact CG2-CZ 4.17Å; P899-F922 WeakPolarHBondContact CA-O 3.49Å; P899-F922 WeakPolarHBondContact CB-O 3.48Å; I900-F922 HydrophobicContact CG2-CB 4.06Å; I900-F922 HydrophobicContact CG2-CD2 3.61Å; I900-F922 HydrophobicContact CG2-CE2 4.46Å; I900-F922 HydrophobicContact CG2-CG 4.16Å; I900-F922 PolarHBondContact N-O 2.78Å; I900-F922 PolarHBondContact O-N 2.98Å; F920-F922 HydrophobicContact CD1-CD2 4.03Å; F920-F922 AromaticContact CD1-CE2 3.88Å; F920-F922 HydrophobicContact CD1-CE2 3.88Å; F920-F922 HydrophobicContact CD1-CZ 4.3Å; F920-F922 HydrophobicContact CE1-CD1 4.11Å; F920-F922 AromaticContact CE1-CD2 3.95Å; F920-F922 HydrophobicContact CE1-CD2 3.95Å; F920-F922 AromaticContact CE1-CE1 3.97Å; F920-F922 HydrophobicContact CE1-CE1 3.97Å; F920-F922 AromaticContact CE1-CE2 3.8Å; F920-F922 HydrophobicContact CE1-CE2 3.8Å; F920-F922 HydrophobicContact CE1-CG 4.11Å; F920-F922 AromaticContact CE1-CZ 3.82Å; F920-F922 HydrophobicContact CE1-CZ 3.82Å |
| 923 | V | 90.1 | Very high | 90.9 | Very high | 13 Ų | 13 | 58.1 Ų | 58.1 | 8% | 0.079 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 157.3 | -179 | -66.4 | 0 | 0 | 0 | 0 | 111.7 | M843 G844 P845 I846 T921 P925 H949 D952 | M843-V923 HydrophobicContact CE-CG1 3.51Å; M843-V923 HydrophobicContact CE-CG2 4.33Å; G844-V923 PolarHBondContact O-N 2.7Å; P845-V923 CarbonylContact C-O 3.59Å; P845-V923 VanDerWaalsContact CA-O 3.27Å; P845-V923 WeakPolarHBondContact CA-O 3.49Å; I846-V923 PolarHBondContact N-O 3.33Å; T921-V923 HydrophobicContact CG2-CG1 4.06Å; V923-P925 WeakPolarHBondContact O-CD 3.42Å; V923-H949 HydrophobicContact CB-CB 4.45Å; V923-H949 HydrophobicContact CG2-CB 3.96Å; V923-D952 HydrophobicContact CG2-CB 4.35Å |
| 924 | D | 88.4 | Confident | 90.9 | Very high | 73 Ų | 73 | 54.8 Ų | 54.8 | 39% | 0.39 | 29% | 0.286 | S | S | . | . | trans | -103 | 102.7 | 172.8 | -174.2 | 11.7 | 0 | 0 | 0 | 109.9 | I846 R1003 | I846-D924 HydrophobicContact CD1-CB 4.18Å; D924-R1003 IonicContact OD1-CZ 2.95Å; D924-R1003 IonicContact OD1-NE 3.86Å; D924-R1003 IonicContact OD1-NH2 3.55Å; D924-R1003 PolarHBondContact OD1-NH2 2.95Å | ||
| 925 | P | 88.8 | Confident | 91 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.013 | 28% | 0.284 | C | S | . | . | trans | -73.3 | 137 | -177.6 | 28.2 | -33.5 | 0 | 0 | 0 | 112.6 | P845 V923 E948 H949 L998 A1001 R1003 | P845-P925 HydrophobicContact CB-CG 4.34Å; V923-P925 WeakPolarHBondContact O-CD 3.42Å; P925-E948 WeakPolarHBondContact CA-O 3.48Å; P925-H949 HydrophobicContact CB-CB 4.2Å; P925-L998 HydrophobicContact CB-CD1 3.31Å; P925-L998 HydrophobicContact CG-CB 4.47Å; P925-L998 HydrophobicContact CG-CD1 3.49Å; P925-L998 VanDerWaalsContact CG-CD1 3.49Å; P925-A1001 HydrophobicContact CG-CB 4.19Å; P925-R1003 WeakPolarHBondContact O-CD 3.43Å; P925-R1003 PolarHBondContact O-NE 3.4Å | ||
| 926 | T | 90.9 | Very high | 91.1 | Very high | 55 Ų | 55 | 48.1 Ų | 48.1 | 34% | 0.337 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 142.3 | -177.8 | 63.7 | 0 | 0 | 0 | 0 | 111.7 | G947 E948 L950 | T926-G947 CarbonylContact O-C 3.59Å; T926-G947 WeakPolarHBondContact O-CA 3.49Å; T926-E948 PolarHBondContact N-O 2.9Å; T926-E948 PolarHBondContact O-N 2.7Å; T926-E948 WeakPolarHBondContact OG1-CB 3.36Å; T926-E948 PolarHBondContact OG1-N 2.8Å; T926-L950 WeakPolarHBondContact O-CD2 3.41Å |
| 927 | V | 89.4 | Confident | 91.1 | Very high | 28 Ų | 28 | 52.5 Ų | 52.5 | 17% | 0.17 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 124 | 175.5 | -174.8 | 0 | 0 | 0 | 0 | 108.4 | I945 L950 V996 R1003 V1005 | V927-I945 HydrophobicContact CG1-CG2 3.47Å; V927-I945 VanDerWaalsContact CG1-CG2 3.47Å; V927-L950 HydrophobicContact CG2-CD2 3.83Å; V927-V996 HydrophobicContact CG1-CG2 4.26Å; V927-V996 HydrophobicContact CG2-CB 3.99Å; V927-V996 HydrophobicContact CG2-CG1 4.39Å; V927-V996 HydrophobicContact CG2-CG2 3.87Å; V927-R1003 HydrophobicContact CB-CB 4.18Å; V927-R1003 HydrophobicContact CG2-CB 3.6Å; V927-R1003 HydrophobicContact CG2-CG 4.22Å; V927-V1005 HydrophobicContact CB-CG2 4.22Å; V927-V1005 HydrophobicContact CG1-CG2 3.37Å |
| 928 | V | 90.4 | Very high | 91.2 | Very high | 110 Ų | 110 | 44.5 Ų | 44.5 | 67% | 0.667 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | -54.2 | -171.2 | 177.6 | 0 | 0 | 0 | 0 | 112 | S946 | V928-S946 PolarHBondContact N-O 2.87Å |
| 929 | A | 91.5 | Very high | 91.5 | Very high | 41 Ų | 41 | 42.2 Ų | 42.2 | 34% | 0.339 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 172.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I945 S946 | A929-I945 WeakPolarHBondContact O-CA 3.47Å; A929-S946 PolarHBondContact N-O 2.87Å; A929-S946 PolarHBondContact O-N 3.02Å; A929-S946 PolarHBondContact O-OG 3.03Å; A929-S946 VanDerWaalsContact O-OG 3.14Å |
| 930 | Y | 92.6 | Very high | 91.3 | Very high | 9 Ų | 9 | 37.5 Ų | 37.5 | 4% | 0.035 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 157 | 169.7 | 72.1 | -98.7 | 0 | 0 | 0 | 112 | F933 L943 V944 V994 V1005 S1007 P1008 F1009 | Y930-F933 HydrophobicContact CD2-CD1 4.41Å; Y930-F933 AromaticContact CE2-CD1 3.66Å; Y930-F933 HydrophobicContact CE2-CD1 3.66Å; Y930-F933 HydrophobicContact CE2-CE1 4.1Å; Y930-F933 AromaticContact CZ-CD1 3.95Å; Y930-L943 HydrophobicContact CD2-CD2 3.43Å; Y930-L943 VanDerWaalsContact CD2-CD2 3.43Å; Y930-L943 HydrophobicContact CE2-CD2 4.11Å; Y930-L943 HydrophobicContact CG-CD2 3.91Å; Y930-V944 WeakPolarHBondContact CA-O 3.45Å; Y930-V994 HydrophobicContact CD1-CB 4.07Å; Y930-V994 HydrophobicContact CD1-CG2 3.77Å; Y930-V994 HydrophobicContact CE1-CB 4.05Å; Y930-V994 HydrophobicContact CE1-CG2 3.45Å; Y930-V994 VanDerWaalsContact CE1-CG2 3.45Å; Y930-V994 HydrophobicContact CE2-CG2 4.34Å; Y930-V994 HydrophobicContact CG-CG2 4.33Å; Y930-V1005 HydrophobicContact CD1-CB 4.12Å; Y930-V1005 HydrophobicContact CD1-CG1 3.8Å; Y930-V1005 HydrophobicContact CE1-CB 4.34Å; Y930-V1005 HydrophobicContact CE1-CG1 3.95Å; Y930-S1007 PolarHBondContact OH-O 2.85Å; Y930-P1008 PolarHBondContact OH-O 3.48Å; Y930-F1009 HydrophobicContact CE2-CB 4.43Å; Y930-F1009 HydrophobicContact CE2-CD2 4.25Å; Y930-F1009 PolarHBondContact OH-N 2.93Å |
| 931 | H | 91.7 | Very high | 91.2 | Very high | 109 Ų | 109 | 37.6 Ų | 37.6 | 51% | 0.505 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 142.7 | 174.5 | -175.9 | 80.2 | 0 | 0 | 0 | 110.2 | V944 Q1044 | H931-V944 PolarHBondContact N-O 3.41Å; H931-V944 VanDerWaalsContact N-O 3.1Å; H931-V944 PolarHBondContact O-N 3.3Å; H931-Q1044 PolarHBondContact NE2-NE2 3.03Å |
| 932 | P | 92.8 | Very high | 91.2 | Very high | 8 Ų | 8 | 39.4 Ų | 39.4 | 5% | 0.052 | 21% | 0.211 | C | C | . | . | cis | -79.8 | 172 | -1 | 33.7 | -35.1 | 0 | 0 | 0 | 114.8 | T941 Q942 Q1044 | P932-T941 HydrophobicContact CG-CG2 3.5Å; P932-Q942 WeakPolarHBondContact CD-O 3.45Å; P932-Q1044 HydrophobicContact CB-CG 4.35Å; P932-Q1044 HydrophobicContact CG-CG 4.11Å | ||
| 933 | F | 91.9 | Very high | 91.1 | Very high | 102 Ų | 102 | 39.4 Ų | 39.4 | 45% | 0.447 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -94.8 | -5.1 | 178 | -55.5 | -76 | 0 | 0 | 0 | 114.4 | Y930 F1009 T1010 | Y930-F933 HydrophobicContact CD2-CD1 4.41Å; Y930-F933 AromaticContact CE2-CD1 3.66Å; Y930-F933 HydrophobicContact CE2-CD1 3.66Å; Y930-F933 HydrophobicContact CE2-CE1 4.1Å; Y930-F933 AromaticContact CZ-CD1 3.95Å; F933-F1009 WeakPolarHBondContact O-CA 3.2Å; F933-T1010 PolarHBondContact O-N 2.87Å |
| 934 | V | 91.4 | Very high | 91.3 | Very high | 55 Ų | 55 | 41.5 Ų | 41.5 | 33% | 0.333 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 147 | -179.3 | 78.7 | 0 | 0 | 0 | 0 | 109.8 | T1010 A1012 | V934-T1010 WeakPolarHBondContact CA-O 3.44Å; V934-T1010 HydrophobicContact CG2-CG2 4.49Å; V934-T1010 WeakPolarHBondContact CG2-O 3.31Å; V934-A1012 HydrophobicContact CG2-CB 3.94Å |
| 935 | G | 90.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 164.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | T941 T1010 Y1011 A1012 S1042 | G935-T941 WeakPolarHBondContact CA-OG1 3.35Å; G935-T1010 PolarHBondContact N-O 2.84Å; G935-T1010 VanDerWaalsContact N-O 3.11Å; G935-Y1011 CarbonylContact O-C 3.11Å; G935-Y1011 WeakPolarHBondContact O-CA 3.2Å; G935-A1012 PolarHBondContact O-N 2.04Å; G935-S1042 WeakPolarHBondContact CA-O 3.44Å |
| 936 | P | 93.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 157.8 | 178.2 | 30.9 | -29.5 | 0 | 0 | 0 | 111.5 | S938 G939 T941 A1012 S1042 V1043 D1137 V1139 | P936-S938 PolarHBondContact O-N 3.23Å; P936-G939 PolarHBondContact O-N 2.9Å; P936-T941 WeakPolarHBondContact CD-OG1 3.36Å; P936-A1012 CarbonylContact C-O 3.5Å; P936-S1042 WeakPolarHBondContact CD-O 3.3Å; P936-V1043 HydrophobicContact CG-CG2 4.42Å; P936-D1137 VanDerWaalsContact CD-OD2 3.28Å; P936-D1137 WeakPolarHBondContact CD-OD2 3.41Å; P936-D1137 HydrophobicContact CG-CB 3.92Å; P936-V1139 HydrophobicContact CB-CG2 3.79Å; P936-V1139 HydrophobicContact CG-CG2 3.87Å |
| 937 | R | 92.6 | Very high | 91.6 | Very high | 103 Ų | 103 | 38 Ų | 38 | 39% | 0.389 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -38.2 | 179.3 | 177.7 | -168.8 | 174.4 | -146.1 | 4.3 | 112.3 | G939 A983 S984 P985 A1012 D1014 | R937-G939 PolarHBondContact O-N 3.44Å; R937-G939 VanDerWaalsContact O-N 3.17Å; R937-A983 CarbonylContact O-C 3.56Å; R937-A983 VanDerWaalsContact O-CA 3.29Å; R937-A983 WeakPolarHBondContact O-CA 3.46Å; R937-S984 VanDerWaalsContact CG-O 3.31Å; R937-S984 WeakPolarHBondContact CG-O 3.44Å; R937-S984 PolarHBondContact NE-O 3.08Å; R937-S984 PolarHBondContact O-N 3.49Å; R937-P985 PolarHBondContact NH2-O 3.45Å; R937-A1012 PolarHBondContact N-O 2.97Å; R937-D1014 PolarHBondContact N-OD1 3.47Å |
| 938 | S | 91.5 | Very high | 91.7 | Very high | 31 Ų | 31 | 41.3 Ų | 41.3 | 22% | 0.217 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -14.1 | 179 | -58.7 | 0 | 0 | 0 | 0 | 113.4 | P936 D1014 H1138 | P936-S938 PolarHBondContact O-N 3.23Å; S938-D1014 WeakPolarHBondContact CB-OD1 3.37Å; S938-D1014 PolarHBondContact N-OD1 3.3Å; S938-D1014 PolarHBondContact OG-OD1 2.78Å; S938-D1014 PolarHBondContact OG-OD2 3.34Å; S938-H1138 WeakPolarHBondContact CB-O 3.41Å |
| 939 | G | 91.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | 74.3 | -157.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P936 R937 T941 T981 D1137 H1138 | P936-G939 PolarHBondContact O-N 2.9Å; R937-G939 PolarHBondContact O-N 3.44Å; R937-G939 VanDerWaalsContact O-N 3.17Å; G939-T941 VanDerWaalsContact C-N 3.32Å; G939-T981 WeakPolarHBondContact CA-O 3.48Å; G939-T981 WeakPolarHBondContact CA-OG1 3.48Å; G939-D1137 VanDerWaalsContact O-CB 3.26Å; G939-D1137 WeakPolarHBondContact O-CB 3.49Å; G939-H1138 WeakPolarHBondContact O-CB 3.5Å; G939-H1138 PolarHBondContact O-N 3.22Å | ||
| 940 | G | 89.5 | Confident | 91.4 | Very high | 8 Ų | 8 | 37.1 Ų | 37.1 | 8% | 0.082 | 19% | 0.188 | C | C | . | . | trans | 84.4 | 5.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q942 T981 H1138 | G940-Q942 PolarHBondContact O-N 3.16Å; G940-T981 PolarHBondContact N-O 3.12Å; G940-T981 PolarHBondContact N-OG1 3.19Å; G940-H1138 WeakPolarHBondContact CA-ND1 3.23Å; G940-H1138 PolarHBondContact N-ND1 2.77Å | ||
| 941 | T | 91.2 | Very high | 91.1 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | trans | -72.5 | 126.9 | 175.1 | -51 | 0 | 0 | 0 | 0 | 109.3 | P932 G935 P936 G939 L943 L980 T981 D1137 | P932-T941 HydrophobicContact CG-CG2 3.5Å; G935-T941 WeakPolarHBondContact CA-OG1 3.35Å; P936-T941 WeakPolarHBondContact CD-OG1 3.36Å; G939-T941 VanDerWaalsContact C-N 3.32Å; T941-L943 PolarHBondContact O-N 3.31Å; T941-L943 VanDerWaalsContact O-N 3.14Å; T941-L980 WeakPolarHBondContact O-CA 3.44Å; T941-T981 WeakPolarHBondContact CB-OG1 3.43Å; T941-T981 PolarHBondContact N-OG1 3.42Å; T941-T981 PolarHBondContact O-N 3.39Å; T941-T981 VanDerWaalsContact O-N 3.1Å; T941-D1137 VanDerWaalsContact CA-OD2 3.32Å; T941-D1137 WeakPolarHBondContact CA-OD2 3.49Å; T941-D1137 PolarHBondContact OG1-OD2 2.97Å | ||
| 942 | Q | 91.9 | Very high | 90.6 | Very high | 78 Ų | 78 | 34.8 Ų | 34.8 | 36% | 0.364 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 98.7 | 176.7 | -171.5 | -178 | -46.6 | 0 | 0 | 110 | P932 G940 I978 L980 | P932-Q942 WeakPolarHBondContact CD-O 3.45Å; G940-Q942 PolarHBondContact O-N 3.16Å; Q942-I978 HydrophobicContact CG-CG2 3.53Å; Q942-L980 HydrophobicContact CB-CD2 4.22Å |
| 943 | L | 91.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 130.8 | 168.6 | -91 | 112.4 | 0 | 0 | 0 | 110.2 | Y930 T941 V960 I978 C979 T981 F1009 | Y930-L943 HydrophobicContact CD2-CD2 3.43Å; Y930-L943 VanDerWaalsContact CD2-CD2 3.43Å; Y930-L943 HydrophobicContact CE2-CD2 4.11Å; Y930-L943 HydrophobicContact CG-CD2 3.91Å; T941-L943 PolarHBondContact O-N 3.31Å; T941-L943 VanDerWaalsContact O-N 3.14Å; L943-V960 HydrophobicContact CD1-CG2 4.29Å; L943-I978 WeakPolarHBondContact O-CA 3.26Å; L943-C979 PolarHBondContact N-O 2.82Å; L943-C979 PolarHBondContact O-N 3.14Å; L943-T981 HydrophobicContact CD1-CG2 3.09Å; L943-F1009 HydrophobicContact CD1-CD2 4.36Å; L943-F1009 HydrophobicContact CD1-CE2 3.9Å; L943-F1009 HydrophobicContact CD1-CZ 4.34Å; L943-F1009 HydrophobicContact CD2-CD2 4.39Å; L943-F1009 HydrophobicContact CG-CE2 4.4Å |
| 944 | V | 93.2 | Very high | 89.8 | Confident | 57 Ų | 57 | 31.5 Ų | 31.5 | 35% | 0.345 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 110.1 | 168.7 | -177.4 | 0 | 0 | 0 | 0 | 107.6 | Y930 H931 | Y930-V944 WeakPolarHBondContact CA-O 3.45Å; H931-V944 PolarHBondContact N-O 3.41Å; H931-V944 VanDerWaalsContact N-O 3.1Å; H931-V944 PolarHBondContact O-N 3.3Å |
| 945 | I | 92.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 117 | 176.9 | -59.6 | 170.8 | 0 | 0 | 0 | 107.8 | V927 A929 V958 S976 L977 V994 V996 | V927-I945 HydrophobicContact CG1-CG2 3.47Å; V927-I945 VanDerWaalsContact CG1-CG2 3.47Å; A929-I945 WeakPolarHBondContact O-CA 3.47Å; I945-V958 HydrophobicContact CD1-CB 4.47Å; I945-V958 HydrophobicContact CD1-CG1 3.49Å; I945-V958 VanDerWaalsContact CD1-CG1 3.49Å; I945-V958 HydrophobicContact CD1-CG2 4.1Å; I945-S976 CarbonylContact O-C 3.54Å; I945-S976 WeakPolarHBondContact O-CA 3.38Å; I945-L977 HydrophobicContact CB-CB 4.22Å; I945-L977 PolarHBondContact N-O 3.26Å; I945-L977 PolarHBondContact O-N 2.98Å; I945-V994 HydrophobicContact CD1-CG1 4.12Å; I945-V996 HydrophobicContact CD1-CG2 4.19Å; I945-V996 HydrophobicContact CG2-CG2 4.23Å |
| 946 | S | 92.6 | Very high | 89.5 | Confident | 46 Ų | 46 | 34.6 Ų | 34.6 | 32% | 0.322 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 142.7 | -179.5 | 41.4 | 0 | 0 | 0 | 0 | 111.4 | V928 A929 | V928-S946 PolarHBondContact N-O 2.87Å; A929-S946 PolarHBondContact N-O 2.87Å; A929-S946 PolarHBondContact O-N 3.02Å; A929-S946 PolarHBondContact O-OG 3.03Å; A929-S946 VanDerWaalsContact O-OG 3.14Å |
| 947 | G | 90 | Very high | 89.5 | Confident | 9 Ų | 9 | 39 Ų | 39 | 9% | 0.093 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.6 | -158.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | T926 R975 | T926-G947 CarbonylContact O-C 3.59Å; T926-G947 WeakPolarHBondContact O-CA 3.49Å; G947-R975 PolarHBondContact N-O 3.3Å; G947-R975 CarbonylContact O-C 3.57Å; G947-R975 WeakPolarHBondContact O-CA 3.26Å |
| 948 | E | 91 | Very high | 89.5 | Confident | 98 Ų | 98 | 34.2 Ų | 34.2 | 46% | 0.458 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 148.1 | 172 | -60.8 | -165.7 | 144 | 0 | 0 | 111 | P925 T926 L950 S974 | P925-E948 WeakPolarHBondContact CA-O 3.48Å; T926-E948 PolarHBondContact N-O 2.9Å; T926-E948 PolarHBondContact O-N 2.7Å; T926-E948 WeakPolarHBondContact OG1-CB 3.36Å; T926-E948 PolarHBondContact OG1-N 2.8Å; E948-L950 VanDerWaalsContact C-N 3.33Å; E948-L950 PolarHBondContact O-N 3.42Å; E948-S974 CarbonylContact C-O 3.58Å; E948-S974 WeakPolarHBondContact CA-O 3.36Å |
| 949 | H | 89 | Confident | 89.6 | Confident | 63 Ų | 63 | 35 Ų | 35 | 29% | 0.292 | 19% | 0.186 | S | C | . | . | S | Bend | trans | 58.8 | 32.5 | -179.9 | -56.3 | -68 | 0 | 0 | 0 | 115.6 | V923 P925 L951 D952 S974 | V923-H949 HydrophobicContact CB-CB 4.45Å; V923-H949 HydrophobicContact CG2-CB 3.96Å; P925-H949 HydrophobicContact CB-CB 4.2Å; H949-L951 PolarHBondContact O-N 2.98Å; H949-D952 WeakPolarHBondContact CA-OD2 3.29Å; H949-D952 WeakPolarHBondContact CB-OD2 3.44Å; H949-D952 IonicContact CG-OD2 3.96Å; H949-D952 IonicContact ND1-OD2 2.7Å; H949-D952 PolarHBondContact ND1-OD2 2.81Å; H949-S974 PolarHBondContact N-O 3.02Å |
| 950 | L | 87.7 | Confident | 89.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -12.4 | -171.5 | -61 | 177.6 | 0 | 0 | 0 | 115.9 | T926 V927 E948 S974 L977 L998 | T926-L950 WeakPolarHBondContact O-CD2 3.41Å; V927-L950 HydrophobicContact CG2-CD2 3.83Å; E948-L950 VanDerWaalsContact C-N 3.33Å; E948-L950 PolarHBondContact O-N 3.42Å; L950-S974 PolarHBondContact N-O 3.26Å; L950-L977 HydrophobicContact CB-CB 4.09Å; L950-L977 HydrophobicContact CD1-CB 3.73Å; L950-L998 HydrophobicContact CD2-CD1 4.49Å; L950-L998 WeakPolarHBondContact O-CD2 3.42Å |
| 951 | L | 85.1 | Confident | 89.6 | Confident | 42 Ų | 42 | 35.2 Ų | 35.2 | 22% | 0.22 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | -0.5 | -179.2 | -74.9 | -178.8 | 0 | 0 | 0 | 113.5 | H949 A953 R969 S972 L977 | H949-L951 PolarHBondContact O-N 2.98Å; L951-A953 PolarHBondContact O-N 2.03Å; L951-A953 VanDerWaalsContact O-N 3.15Å; L951-R969 HydrophobicContact CD2-CG 4.1Å; L951-S972 WeakPolarHBondContact CD1-O 3.49Å; L951-L977 HydrophobicContact CD2-CD1 3.8Å; L951-L977 HydrophobicContact CG-CD1 4.49Å |
| 952 | D | 82.2 | Confident | 89.6 | Confident | 28 Ų | 28 | 42.5 Ų | 42.5 | 15% | 0.15 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -84.5 | 15.7 | -169.7 | -59.6 | -13.1 | 0 | 0 | 0 | 111.9 | M843 G844 V923 H949 | M843-D952 CarbonylContact C-O 3.42Å; M843-D952 HydrophobicContact CB-CB 3.85Å; M843-D952 HydrophobicContact CE-CB 4.35Å; M843-D952 WeakPolarHBondContact CE-OD2 3.14Å; M843-D952 HydrophobicContact SD-CB 4.42Å; G844-D952 WeakPolarHBondContact CA-O 3.39Å; G844-D952 PolarHBondContact N-O 3.44Å; V923-D952 HydrophobicContact CG2-CB 4.35Å; H949-D952 WeakPolarHBondContact CA-OD2 3.29Å; H949-D952 WeakPolarHBondContact CB-OD2 3.44Å; H949-D952 IonicContact CG-OD2 3.96Å; H949-D952 IonicContact ND1-OD2 2.7Å; H949-D952 PolarHBondContact ND1-OD2 2.81Å |
| 953 | A | 82.6 | Confident | 89.5 | Confident | 8 Ų | 8 | 39.5 Ų | 39.5 | 7% | 0.066 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -116 | 155.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L951 V956 R969 L998 | L951-A953 PolarHBondContact O-N 2.03Å; L951-A953 VanDerWaalsContact O-N 3.15Å; A953-V956 HydrophobicContact CB-CG2 4.27Å; A953-R969 PolarHBondContact O-NH2 2.73Å; A953-L998 HydrophobicContact CB-CB 3.84Å; A953-L998 HydrophobicContact CB-CD2 4.26Å |
| 954 | T | 84.2 | Confident | 89.7 | Confident | 32 Ų | 32 | 42.9 Ų | 42.9 | 20% | 0.196 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -66.5 | -49.2 | -179.4 | -48.9 | 0 | 0 | 0 | 0 | 110.8 | T850 R851 R969 D999 | T850-T954 WeakPolarHBondContact CG2-OG1 3.49Å; R851-T954 HydrophobicContact CB-CG2 3.85Å; R851-T954 PolarHBondContact N-OG1 3.02Å; T954-R969 PolarHBondContact O-NH2 3.38Å; T954-D999 WeakPolarHBondContact CA-OD1 3.41Å; T954-D999 VanDerWaalsContact CB-OD1 3.28Å; T954-D999 WeakPolarHBondContact CB-OD1 3.35Å; T954-D999 PolarHBondContact N-OD1 3.35Å; T954-D999 PolarHBondContact N-OD2 3.03Å; T954-D999 VanDerWaalsContact N-OD2 3.17Å |
| 955 | N | 87 | Confident | 89.7 | Confident | 105 Ų | 105 | 40.4 Ų | 40.4 | 56% | 0.561 | 22% | 0.222 | S | C | * | . | trans | -112.9 | 122.9 | 177.3 | -76.6 | -26 | 0 | 0 | 0 | 109.9 | L998 D999 | N955-L998 WeakPolarHBondContact O-CA 3.23Å; N955-D999 PolarHBondContact N-OD1 3.22Å; N955-D999 PolarHBondContact O-N 2.96Å | ||
| 956 | V | 90 | Very high | 89.7 | Confident | 16 Ų | 16 | 45.1 Ų | 45.1 | 10% | 0.097 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 108.5 | 178.5 | 179.8 | 0 | 0 | 0 | 0 | 108.1 | A953 V967 L977 L998 | A953-V956 HydrophobicContact CB-CG2 4.27Å; V956-V967 HydrophobicContact CG1-CG1 4.25Å; V956-V967 HydrophobicContact CG1-CG2 4.31Å; V956-L977 HydrophobicContact CG1-CD1 3.84Å; V956-L977 HydrophobicContact CG1-CD2 4Å; V956-L998 HydrophobicContact CB-CD2 4.11Å; V956-L998 HydrophobicContact CG1-CD2 3.71Å; V956-L998 HydrophobicContact CG2-CD2 3.76Å |
| 957 | E | 92.8 | Very high | 89.6 | Confident | 93 Ų | 93 | 44.5 Ų | 44.5 | 44% | 0.435 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 142 | 179.2 | -56.1 | -178.2 | 150.2 | 0 | 0 | 110.3 | F959 R997 | E957-F959 HydrophobicContact CB-CD2 4.5Å; E957-F959 HydrophobicContact CB-CE2 3.68Å; E957-F959 HydrophobicContact CB-CZ 4.29Å; E957-R997 HydrophobicContact CB-CB 4.28Å; E957-R997 PolarHBondContact N-O 2.93Å; E957-R997 PolarHBondContact O-N 2.94Å |
| 958 | V | 93 | Very high | 89.6 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 137.8 | 176.6 | 179.1 | 0 | 0 | 0 | 0 | 108.6 | I945 C965 V967 L977 C979 V994 T995 V996 | I945-V958 HydrophobicContact CD1-CB 4.47Å; I945-V958 HydrophobicContact CD1-CG1 3.49Å; I945-V958 VanDerWaalsContact CD1-CG1 3.49Å; I945-V958 HydrophobicContact CD1-CG2 4.1Å; V958-C965 HydrophobicContact CB-CB 3.93Å; V958-C965 HydrophobicContact CG1-CB 3.77Å; V958-C965 PolarHBondContact O-N 2.67Å; V958-V967 HydrophobicContact CB-CG2 4.24Å; V958-V967 HydrophobicContact CG2-CG2 3.7Å; V958-L977 HydrophobicContact CG2-CD2 3.38Å; V958-L977 HydrophobicContact CG2-CG 4.38Å; V958-C979 HydrophobicContact CB-CB 4.5Å; V958-V994 HydrophobicContact CG1-CG1 4.15Å; V958-T995 CarbonylContact C-O 3.5Å; V958-T995 WeakPolarHBondContact CA-O 3.37Å; V958-V996 HydrophobicContact CG2-CG1 4.39Å; V958-V996 HydrophobicContact CG2-CG2 4.41Å |
| 959 | F | 94.1 | Very high | 89.4 | Confident | 46 Ų | 46 | 48.1 Ų | 48.1 | 20% | 0.202 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 135.1 | 177.6 | -61.9 | -93.3 | 0 | 0 | 0 | 110.4 | E957 I963 P964 V994 T995 R997 | E957-F959 HydrophobicContact CB-CD2 4.5Å; E957-F959 HydrophobicContact CB-CE2 3.68Å; E957-F959 HydrophobicContact CB-CZ 4.29Å; F959-I963 CarbonylContact C-O 3.5Å; F959-I963 WeakPolarHBondContact CA-O 3.24Å; F959-P964 HydrophobicContact CD1-CB 4.35Å; F959-P964 HydrophobicContact CE1-CB 4.21Å; F959-V994 CarbonylContact O-C 3.6Å; F959-V994 WeakPolarHBondContact O-CA 3.33Å; F959-T995 PolarHBondContact N-O 2.89Å; F959-T995 PolarHBondContact O-N 3.46Å; F959-R997 HydrophobicContact CD2-CG 4.38Å; F959-R997 HydrophobicContact CE2-CG 4.22Å |
| 960 | V | 92.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 99 | 169.8 | -178.9 | 0 | 0 | 0 | 0 | 106.7 | L943 N962 I963 C965 T981 A991 V994 F1009 Y1011 | L943-V960 HydrophobicContact CD1-CG2 4.29Å; V960-N962 PolarHBondContact O-N 2.76Å; V960-I963 PolarHBondContact N-O 3.21Å; V960-I963 PolarHBondContact O-N 2.76Å; V960-I963 VanDerWaalsContact O-N 3.09Å; V960-C965 HydrophobicContact CG2-CB 4.3Å; V960-T981 HydrophobicContact CG2-CG2 4.23Å; V960-A991 HydrophobicContact CG1-CB 3.75Å; V960-V994 HydrophobicContact CG2-CG2 4.47Å; V960-F1009 HydrophobicContact CG1-CB 3.7Å; V960-F1009 HydrophobicContact CG1-CD1 3.53Å; V960-F1009 HydrophobicContact CG1-CE1 4.34Å; V960-F1009 HydrophobicContact CG1-CG 3.73Å; V960-Y1011 HydrophobicContact CG1-CE2 3.86Å |
| 961 | G | 89 | Confident | 88.8 | Confident | 14 Ų | 14 | 60.1 Ų | 60.1 | 14% | 0.144 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | -113.8 | -163.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q993 | G961-Q993 PolarHBondContact N-O 2.88Š|
| 962 | N | 89.5 | Confident | 88.8 | Confident | 154 Ų | 154 | 58.7 Ų | 58.7 | 82% | 0.824 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | 6.4 | 175.9 | -65.3 | -15.1 | 0 | 0 | 0 | 113.3 | V960 | V960-N962 PolarHBondContact O-N 2.76Š|
| 963 | I | 91.7 | Very high | 89.1 | Confident | 16 Ų | 16 | 60.7 Ų | 60.7 | 8% | 0.082 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 127.2 | -174 | -59.4 | 167.2 | 0 | 0 | 0 | 109.2 | F959 V960 Y1011 | F959-I963 CarbonylContact C-O 3.5Å; F959-I963 WeakPolarHBondContact CA-O 3.24Å; V960-I963 PolarHBondContact N-O 3.21Å; V960-I963 PolarHBondContact O-N 2.76Å; V960-I963 VanDerWaalsContact O-N 3.09Å; I963-Y1011 HydrophobicContact CD1-CD2 4.5Å; I963-Y1011 HydrophobicContact CD1-CE2 3.83Å |
| 964 | P | 93.6 | Very high | 89.2 | Confident | 70 Ų | 70 | 63.1 Ų | 63.1 | 46% | 0.455 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 144 | -179.7 | 26.7 | -33.6 | 0 | 0 | 0 | 112.2 | F959 S982 | F959-P964 HydrophobicContact CD1-CB 4.35Å; F959-P964 HydrophobicContact CE1-CB 4.21Å; P964-S982 WeakPolarHBondContact O-CB 3.33Å; P964-S982 PolarHBondContact O-N 3.26Å; P964-S982 PolarHBondContact O-OG 2.98Å |
| 965 | C | 93.4 | Very high | 89.5 | Confident | 6 Ų | 6 | 70.2 Ų | 70.2 | 4% | 0.041 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 121.6 | 173.4 | -165.6 | 0 | 0 | 0 | 0 | 108.8 | V958 V960 V967 C979 L980 | V958-C965 HydrophobicContact CB-CB 3.93Å; V958-C965 HydrophobicContact CG1-CB 3.77Å; V958-C965 PolarHBondContact O-N 2.67Å; V960-C965 HydrophobicContact CG2-CB 4.3Å; C965-V967 PolarHBondContact O-N 3.24Å; C965-C979 HydrophobicContact CB-CB 3.88Å; C965-C979 WeakPolarHBondContact CB-SG 3.33Å; C965-C979 WeakPolarHBondContact SG-CB 3.33Å; C965-C979 CovalentContact SG-SG 2.04Å; C965-C979 PolarHBondContact SG-SG 3.33Å; C965-L980 CarbonylContact C-O 3.58Å; C965-L980 WeakPolarHBondContact CA-O 3.47Å; C965-L980 PolarHBondContact SG-O 2.81Å |
| 966 | I | 93.5 | Very high | 89.7 | Confident | 99 Ų | 99 | 66.7 Ų | 66.7 | 51% | 0.508 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 110.6 | -171 | -53.3 | 176.6 | 0 | 0 | 0 | 109.4 | C979 L980 | I966-C979 CarbonylContact O-C 3.59Å; I966-C979 WeakPolarHBondContact O-CA 3.29Å; I966-C979 WeakPolarHBondContact O-CB 3.44Å; I966-L980 HydrophobicContact CB-CB 4.49Å; I966-L980 PolarHBondContact N-O 2.68Å; I966-L980 PolarHBondContact O-N 2.76Å |
| 967 | V | 90.6 | Very high | 89.7 | Confident | 33 Ų | 33 | 66 Ų | 66 | 20% | 0.2 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 127.5 | -176 | 177.9 | 0 | 0 | 0 | 0 | 111.4 | V956 V958 C965 R969 L977 C979 | V956-V967 HydrophobicContact CG1-CG1 4.25Å; V956-V967 HydrophobicContact CG1-CG2 4.31Å; V958-V967 HydrophobicContact CB-CG2 4.24Å; V958-V967 HydrophobicContact CG2-CG2 3.7Å; C965-V967 PolarHBondContact O-N 3.24Å; V967-R969 HydrophobicContact CG1-CG 4.23Å; V967-R969 PolarHBondContact O-N 3.01Å; V967-L977 HydrophobicContact CG1-CD1 3.66Å; V967-L977 HydrophobicContact CG1-CG 4.36Å; V967-C979 HydrophobicContact CG2-CB 4.29Å |
| 968 | Q | 90.1 | Very high | 89.7 | Confident | 54 Ų | 54 | 62.4 Ų | 62.4 | 25% | 0.252 | 31% | 0.313 | S | S | . | . | trans | -94.6 | 80 | 174.7 | -60.6 | -126.8 | -52.9 | 0 | 0 | 109.8 | E970 K971 S972 I978 L980 | Q968-E970 PolarHBondContact O-N 3.39Å; Q968-K971 HydrophobicContact CB-CB 4.39Å; Q968-K971 PolarHBondContact O-N 2.95Å; Q968-K971 VanDerWaalsContact O-N 3.1Å; Q968-K971 VanDerWaalsContact OE1-CE 3.31Å; Q968-S972 WeakPolarHBondContact O-CB 3.22Å; Q968-S972 PolarHBondContact O-N 2.72Å; Q968-S972 PolarHBondContact O-OG 3.12Å; Q968-I978 HydrophobicContact CB-CG2 4.48Å; Q968-I978 PolarHBondContact N-O 2.82Å; Q968-L980 HydrophobicContact CG-CD1 4.36Å; Q968-L980 HydrophobicContact CG-CG 4.28Å | ||
| 969 | R | 85.8 | Confident | 89.7 | Confident | 130 Ų | 130 | 62.3 Ų | 62.3 | 49% | 0.491 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -52.9 | -40.1 | -178.1 | -83.9 | -171.9 | 167.6 | 171.9 | -3.8 | 113.1 | L951 A953 T954 V967 K971 S972 | L951-R969 HydrophobicContact CD2-CG 4.1Å; A953-R969 PolarHBondContact O-NH2 2.73Å; T954-R969 PolarHBondContact O-NH2 3.38Å; V967-R969 HydrophobicContact CG1-CG 4.23Å; V967-R969 PolarHBondContact O-N 3.01Å; R969-K971 VanDerWaalsContact C-N 3.29Å; R969-K971 PolarHBondContact O-N 3.3Å; R969-S972 PolarHBondContact O-N 3.17Å |
| 970 | E | 83.4 | Confident | 89.7 | Confident | 197 Ų | 197 | 61.6 Ų | 61.6 | 92% | 0.921 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -63.6 | -26.8 | -179.2 | -61.4 | 170.2 | -167.6 | 0 | 0 | 114.6 | Q968 | Q968-E970 PolarHBondContact O-N 3.39Š|
| 971 | K | 80.6 | Confident | 89.8 | Confident | 117 Ų | 117 | 61.6 Ų | 61.6 | 51% | 0.509 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -104.1 | -8.2 | 178.4 | -61 | -175.9 | -172.4 | 157 | 0 | 112.9 | Q968 R969 I978 | Q968-K971 HydrophobicContact CB-CB 4.39Å; Q968-K971 PolarHBondContact O-N 2.95Å; Q968-K971 VanDerWaalsContact O-N 3.1Å; Q968-K971 VanDerWaalsContact OE1-CE 3.31Å; R969-K971 VanDerWaalsContact C-N 3.29Å; R969-K971 PolarHBondContact O-N 3.3Å; K971-I978 HydrophobicContact CB-CD1 3.99Å; K971-I978 VanDerWaalsContact O-CD1 3.24Å; K971-I978 WeakPolarHBondContact O-CD1 3.44Å |
| 972 | S | 86.5 | Confident | 90 | Very high | 12 Ų | 12 | 62.2 Ų | 62.2 | 8% | 0.084 | 31% | 0.312 | C | S | . | . | trans | -84.5 | 156.1 | -179 | -61.9 | 0 | 0 | 0 | 0 | 109.7 | L951 Q968 R969 S976 I978 | L951-S972 WeakPolarHBondContact CD1-O 3.49Å; Q968-S972 WeakPolarHBondContact O-CB 3.22Å; Q968-S972 PolarHBondContact O-N 2.72Å; Q968-S972 PolarHBondContact O-OG 3.12Å; R969-S972 PolarHBondContact O-N 3.17Å; S972-S976 CarbonylContact C-O 3.45Å; S972-S976 VanDerWaalsContact CA-O 3.25Å; S972-S976 WeakPolarHBondContact CA-O 3.45Å; S972-S976 WeakPolarHBondContact CB-O 3.45Å; S972-I978 PolarHBondContact OG-N 2.83Å; S972-I978 PolarHBondContact OG-O 3.29Å | ||
| 973 | T | 87.5 | Confident | 90.1 | Very high | 71 Ų | 71 | 57.9 Ų | 57.9 | 44% | 0.436 | 30% | 0.298 | S | S | . | . | B | Isolated β-bridge | trans | -127.8 | 167.2 | 173.1 | 69.3 | 0 | 0 | 0 | 0 | 108.5 | R975 S976 | T973-R975 PolarHBondContact O-N 2.64Å; T973-R975 PolarHBondContact OG1-N 2.89Å; T973-S976 PolarHBondContact N-O 3.17Å; T973-S976 CarbonylContact O-C 3.4Å; T973-S976 PolarHBondContact O-N 3.38Å; T973-S976 VanDerWaalsContact O-N 3.09Å; T973-S976 PolarHBondContact OG1-N 2.88Å; T973-S976 PolarHBondContact OG1-OG 2.93Å |
| 974 | S | 84.9 | Confident | 90.1 | Very high | 58 Ų | 58 | 57.3 Ų | 57.3 | 41% | 0.406 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -19 | 173.2 | -38.2 | 0 | 0 | 0 | 0 | 113.2 | E948 H949 L950 | E948-S974 CarbonylContact C-O 3.58Å; E948-S974 WeakPolarHBondContact CA-O 3.36Å; H949-S974 PolarHBondContact N-O 3.02Å; L950-S974 PolarHBondContact N-O 3.26Å |
| 975 | R | 90.3 | Very high | 89.6 | Confident | 181 Ų | 181 | 58.6 Ų | 58.6 | 68% | 0.683 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | -15.5 | 178.2 | -69 | -178 | 176.2 | 160.1 | 0.6 | 115.3 | G947 T973 | G947-R975 PolarHBondContact N-O 3.3Å; G947-R975 CarbonylContact O-C 3.57Å; G947-R975 WeakPolarHBondContact O-CA 3.26Å; T973-R975 PolarHBondContact O-N 2.64Å; T973-R975 PolarHBondContact OG1-N 2.89Å |
| 976 | S | 90.6 | Very high | 88.9 | Confident | 32 Ų | 32 | 65.5 Ų | 65.5 | 22% | 0.224 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 106.7 | -175.8 | 74.4 | 0 | 0 | 0 | 0 | 110.6 | I945 S972 T973 | I945-S976 CarbonylContact O-C 3.54Å; I945-S976 WeakPolarHBondContact O-CA 3.38Å; S972-S976 CarbonylContact C-O 3.45Å; S972-S976 VanDerWaalsContact CA-O 3.25Å; S972-S976 WeakPolarHBondContact CA-O 3.45Å; S972-S976 WeakPolarHBondContact CB-O 3.45Å; T973-S976 PolarHBondContact N-O 3.17Å; T973-S976 CarbonylContact O-C 3.4Å; T973-S976 PolarHBondContact O-N 3.38Å; T973-S976 VanDerWaalsContact O-N 3.09Å; T973-S976 PolarHBondContact OG1-N 2.88Å; T973-S976 PolarHBondContact OG1-OG 2.93Å |
| 977 | L | 91.2 | Very high | 88 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 121.5 | 174.2 | -170.6 | 71.3 | 0 | 0 | 0 | 109 | I945 L950 L951 V956 V958 V967 V996 | I945-L977 HydrophobicContact CB-CB 4.22Å; I945-L977 PolarHBondContact N-O 3.26Å; I945-L977 PolarHBondContact O-N 2.98Å; L950-L977 HydrophobicContact CB-CB 4.09Å; L950-L977 HydrophobicContact CD1-CB 3.73Å; L951-L977 HydrophobicContact CD2-CD1 3.8Å; L951-L977 HydrophobicContact CG-CD1 4.49Å; V956-L977 HydrophobicContact CG1-CD1 3.84Å; V956-L977 HydrophobicContact CG1-CD2 4Å; V958-L977 HydrophobicContact CG2-CD2 3.38Å; V958-L977 HydrophobicContact CG2-CG 4.38Å; V967-L977 HydrophobicContact CG1-CD1 3.66Å; V967-L977 HydrophobicContact CG1-CG 4.36Å; L977-V996 HydrophobicContact CD2-CG1 4.02Å |
| 978 | I | 93 | Very high | 87.7 | Confident | 19 Ų | 19 | 66.6 Ų | 66.6 | 10% | 0.097 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 125.3 | 179.5 | -57.8 | -175.2 | 0 | 0 | 0 | 108.3 | Q942 L943 Q968 K971 S972 | Q942-I978 HydrophobicContact CG-CG2 3.53Å; L943-I978 WeakPolarHBondContact O-CA 3.26Å; Q968-I978 HydrophobicContact CB-CG2 4.48Å; Q968-I978 PolarHBondContact N-O 2.82Å; K971-I978 HydrophobicContact CB-CD1 3.99Å; K971-I978 VanDerWaalsContact O-CD1 3.24Å; K971-I978 WeakPolarHBondContact O-CD1 3.44Å; S972-I978 PolarHBondContact OG-N 2.83Å; S972-I978 PolarHBondContact OG-O 3.29Å |
| 979 | C | 93.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 155.4 | 174.8 | 79.1 | 0 | 0 | 0 | 0 | 111.8 | L943 V958 C965 I966 V967 | L943-C979 PolarHBondContact N-O 2.82Å; L943-C979 PolarHBondContact O-N 3.14Å; V958-C979 HydrophobicContact CB-CB 4.5Å; C965-C979 HydrophobicContact CB-CB 3.88Å; C965-C979 WeakPolarHBondContact CB-SG 3.33Å; C965-C979 WeakPolarHBondContact SG-CB 3.33Å; C965-C979 CovalentContact SG-SG 2.04Å; C965-C979 PolarHBondContact SG-SG 3.33Å; I966-C979 CarbonylContact O-C 3.59Å; I966-C979 WeakPolarHBondContact O-CA 3.29Å; I966-C979 WeakPolarHBondContact O-CB 3.44Å; V967-C979 HydrophobicContact CG2-CB 4.29Å |
| 980 | L | 94 | Very high | 87.8 | Confident | 30 Ų | 30 | 65.3 Ų | 65.3 | 16% | 0.157 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 125 | 175.6 | -64.2 | 172.7 | 0 | 0 | 0 | 109.6 | T941 Q942 C965 I966 Q968 | T941-L980 WeakPolarHBondContact O-CA 3.44Å; Q942-L980 HydrophobicContact CB-CD2 4.22Å; C965-L980 CarbonylContact C-O 3.58Å; C965-L980 WeakPolarHBondContact CA-O 3.47Å; C965-L980 PolarHBondContact SG-O 2.81Å; I966-L980 HydrophobicContact CB-CB 4.49Å; I966-L980 PolarHBondContact N-O 2.68Å; I966-L980 PolarHBondContact O-N 2.76Å; Q968-L980 HydrophobicContact CG-CD1 4.36Å; Q968-L980 HydrophobicContact CG-CG 4.28Å |
| 981 | T | 93.1 | Very high | 87.9 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 140.3 | 175.4 | 48 | 0 | 0 | 0 | 0 | 111.7 | G939 G940 T941 L943 V960 F1009 Y1011 | G939-T981 WeakPolarHBondContact CA-O 3.48Å; G939-T981 WeakPolarHBondContact CA-OG1 3.48Å; G940-T981 PolarHBondContact N-O 3.12Å; G940-T981 PolarHBondContact N-OG1 3.19Å; T941-T981 WeakPolarHBondContact CB-OG1 3.43Å; T941-T981 PolarHBondContact N-OG1 3.42Å; T941-T981 PolarHBondContact O-N 3.39Å; T941-T981 VanDerWaalsContact O-N 3.1Å; L943-T981 HydrophobicContact CD1-CG2 3.09Å; V960-T981 HydrophobicContact CG2-CG2 4.23Å; T981-F1009 HydrophobicContact CG2-CE1 4.03Å; T981-F1009 HydrophobicContact CG2-CE2 4.34Å; T981-F1009 HydrophobicContact CG2-CZ 3.72Å; T981-Y1011 HydrophobicContact CG2-CE1 4.48Å |
| 982 | S | 93.7 | Very high | 88.3 | Confident | 27 Ų | 27 | 56.4 Ų | 56.4 | 19% | 0.189 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -83.6 | 168.7 | 167.2 | -57.7 | 0 | 0 | 0 | 0 | 111.1 | P964 Y1011 | P964-S982 WeakPolarHBondContact O-CB 3.33Å; P964-S982 PolarHBondContact O-N 3.26Å; P964-S982 PolarHBondContact O-OG 2.98Å; S982-Y1011 WeakPolarHBondContact O-CE1 3.33Å |
| 983 | A | 91.5 | Very high | 88.5 | Confident | 63 Ų | 63 | 59.4 Ų | 59.4 | 52% | 0.521 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 137.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R937 | R937-A983 CarbonylContact O-C 3.56Å; R937-A983 VanDerWaalsContact O-CA 3.29Å; R937-A983 WeakPolarHBondContact O-CA 3.46Å |
| 984 | S | 90.6 | Very high | 88.7 | Confident | 4 Ų | 4 | 56 Ų | 56 | 3% | 0.028 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -89.2 | 135.4 | 172.1 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | R937 K986 H989 Y1011 | R937-S984 VanDerWaalsContact CG-O 3.31Å; R937-S984 WeakPolarHBondContact CG-O 3.44Å; R937-S984 PolarHBondContact NE-O 3.08Å; R937-S984 PolarHBondContact O-N 3.49Å; S984-K986 PolarHBondContact O-N 3.35Å; S984-K986 PolarHBondContact OG-N 3.35Å; S984-K986 PolarHBondContact OG-O 3.17Å; S984-H989 VanDerWaalsContact OG-CB 3.27Å; S984-H989 WeakPolarHBondContact OG-CB 2.97Å; S984-H989 PolarHBondContact OG-ND1 3.13Å; S984-Y1011 VanDerWaalsContact CB-CG 3.49Å |
| 985 | P | 83.1 | Confident | 89.1 | Confident | 97 Ų | 97 | 54 Ų | 54 | 63% | 0.63 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -62.2 | -31.6 | 178.1 | 22.5 | -30.7 | 0 | 0 | 0 | 112.5 | R937 | R937-P985 PolarHBondContact NH2-O 3.45Š|
| 986 | K | 80.6 | Confident | 89.2 | Confident | 150 Ų | 150 | 45.5 Ų | 45.5 | 65% | 0.652 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -116 | 143.3 | -179.7 | -65.6 | -179.3 | -178.8 | 177.6 | 0 | 111.7 | S984 H989 | S984-K986 PolarHBondContact O-N 3.35Å; S984-K986 PolarHBondContact OG-N 3.35Å; S984-K986 PolarHBondContact OG-O 3.17Å; K986-H989 HydrophobicContact CB-CB 4.4Å; K986-H989 WeakPolarHBondContact O-CB 3.15Å |
| 987 | A | 73 | Confident | 89.3 | Confident | 50 Ų | 50 | 50 Ų | 50 | 41% | 0.413 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 149.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110 | H989 P1013 | A987-H989 PolarHBondContact O-N 3.42Å; A987-P1013 HydrophobicContact CB-CG 4.48Å |
| 988 | N | 84.1 | Confident | 89.3 | Confident | 106 Ų | 106 | 50.1 Ų | 50.1 | 57% | 0.567 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 30 | -174.6 | -58.4 | -33.3 | 0 | 0 | 0 | 113.8 | I990 Y1011 P1013 | N988-I990 PolarHBondContact O-N 2.83Å; N988-Y1011 CarbonylContact C-O 3.55Å; N988-Y1011 WeakPolarHBondContact CA-O 3.39Å; N988-Y1011 PolarHBondContact N-O 2.96Å; N988-P1013 VanDerWaalsContact OD1-CD 3.27Å; N988-P1013 WeakPolarHBondContact OD1-CD 3.25Å |
| 989 | H | 87.6 | Confident | 89 | Confident | 62 Ų | 62 | 50.5 Ų | 50.5 | 29% | 0.287 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 120.9 | 175.7 | 176.6 | -131.9 | 0 | 0 | 0 | 109.5 | S984 K986 A987 Y1011 | S984-H989 VanDerWaalsContact OG-CB 3.27Å; S984-H989 WeakPolarHBondContact OG-CB 2.97Å; S984-H989 PolarHBondContact OG-ND1 3.13Å; K986-H989 HydrophobicContact CB-CB 4.4Å; K986-H989 WeakPolarHBondContact O-CB 3.15Å; A987-H989 PolarHBondContact O-N 3.42Å; H989-Y1011 HydrophobicContact CB-CD2 4.39Å; H989-Y1011 PolarHBondContact N-O 3.29Å; H989-Y1011 AromaticContact ND1-CD2 3.8Å; H989-Y1011 PolarHBondContact O-N 3.15Å |
| 990 | I | 90.3 | Very high | 88.9 | Confident | 95 Ų | 95 | 56.7 Ų | 56.7 | 49% | 0.487 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 118.8 | 176.7 | -59.3 | 172.6 | 0 | 0 | 0 | 107.2 | N988 P1008 T1010 | N988-I990 PolarHBondContact O-N 2.83Å; I990-P1008 HydrophobicContact CG2-CB 3.95Å; I990-T1010 HydrophobicContact CG1-CG2 4.34Å |
| 991 | A | 87.2 | Confident | 88.5 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 3% | 0.025 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 114.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | V960 Q993 P1008 F1009 | V960-A991 HydrophobicContact CG1-CB 3.75Å; A991-Q993 PolarHBondContact O-N 2.93Å; A991-P1008 CarbonylContact O-C 3.52Å; A991-P1008 VanDerWaalsContact O-CA 3.26Å; A991-P1008 WeakPolarHBondContact O-CA 3.5Å; A991-F1009 PolarHBondContact N-O 3.21Å; A991-F1009 PolarHBondContact O-N 3.01Å |
| 992 | D | 88.6 | Confident | 88.4 | Confident | 123 Ų | 123 | 58 Ų | 58 | 66% | 0.658 | 31% | 0.313 | S | S | * | . | trans | -66.7 | -20.3 | -171.6 | -57.9 | -33.6 | 0 | 0 | 0 | 114.1 | S1007 | D992-S1007 CarbonylContact O-C 3.5Š| ||
| 993 | Q | 90.5 | Very high | 88.3 | Confident | 75 Ų | 75 | 59 Ų | 59 | 35% | 0.35 | 31% | 0.313 | S | S | . | . | trans | -149.8 | 154.2 | -173.6 | 66.1 | -175.8 | 18.5 | 0 | 0 | 112.8 | G961 A991 I1004 V1005 | G961-Q993 PolarHBondContact N-O 2.88Å; A991-Q993 PolarHBondContact O-N 2.93Å; Q993-I1004 HydrophobicContact CB-CG2 3.84Å; Q993-I1004 HydrophobicContact CG-CG2 4.35Å; Q993-V1005 WeakPolarHBondContact CA-O 3.41Å | ||
| 994 | V | 92 | Very high | 88.3 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 126.4 | 167.4 | 177.5 | 0 | 0 | 0 | 0 | 108.6 | Y930 I945 V958 F959 V960 I1004 V1005 | Y930-V994 HydrophobicContact CD1-CB 4.07Å; Y930-V994 HydrophobicContact CD1-CG2 3.77Å; Y930-V994 HydrophobicContact CE1-CB 4.05Å; Y930-V994 HydrophobicContact CE1-CG2 3.45Å; Y930-V994 VanDerWaalsContact CE1-CG2 3.45Å; Y930-V994 HydrophobicContact CE2-CG2 4.34Å; Y930-V994 HydrophobicContact CG-CG2 4.33Å; I945-V994 HydrophobicContact CD1-CG1 4.12Å; V958-V994 HydrophobicContact CG1-CG1 4.15Å; F959-V994 CarbonylContact O-C 3.6Å; F959-V994 WeakPolarHBondContact O-CA 3.33Å; V960-V994 HydrophobicContact CG2-CG2 4.47Å; V994-I1004 WeakPolarHBondContact O-CA 3.39Å; V994-V1005 PolarHBondContact N-O 3.38Å; V994-V1005 PolarHBondContact O-N 3.28Å |
| 995 | T | 93.4 | Very high | 88.2 | Confident | 16 Ų | 16 | 61.4 Ų | 61.4 | 10% | 0.098 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 125.4 | -177.1 | -54.7 | 0 | 0 | 0 | 0 | 110.1 | V958 F959 R997 S1002 I1004 | V958-T995 CarbonylContact C-O 3.5Å; V958-T995 WeakPolarHBondContact CA-O 3.37Å; F959-T995 PolarHBondContact N-O 2.89Å; F959-T995 PolarHBondContact O-N 3.46Å; T995-R997 HydrophobicContact CG2-CG 4.25Å; T995-S1002 WeakPolarHBondContact CG2-OG 3.45Å; T995-I1004 HydrophobicContact CG2-CG1 4.36Å |
| 996 | V | 92.6 | Very high | 88.4 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.006 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 122.7 | 173.5 | -174.7 | 0 | 0 | 0 | 0 | 107.9 | V927 I945 V958 L977 L998 S1002 R1003 | V927-V996 HydrophobicContact CG1-CG2 4.26Å; V927-V996 HydrophobicContact CG2-CB 3.99Å; V927-V996 HydrophobicContact CG2-CG1 4.39Å; V927-V996 HydrophobicContact CG2-CG2 3.87Å; I945-V996 HydrophobicContact CD1-CG2 4.19Å; I945-V996 HydrophobicContact CG2-CG2 4.23Å; V958-V996 HydrophobicContact CG2-CG1 4.39Å; V958-V996 HydrophobicContact CG2-CG2 4.41Å; L977-V996 HydrophobicContact CD2-CG1 4.02Å; V996-L998 HydrophobicContact CG1-CD1 4.29Å; V996-L998 HydrophobicContact CG1-CD2 4.14Å; V996-L998 HydrophobicContact CG1-CG 4.03Å; V996-S1002 WeakPolarHBondContact O-CA 3.33Å; V996-R1003 PolarHBondContact N-O 3.46Å; V996-R1003 PolarHBondContact O-N 3.49Å |
| 997 | R | 92.3 | Very high | 88.6 | Confident | 127 Ų | 127 | 55.9 Ų | 55.9 | 48% | 0.479 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 125.7 | 175.8 | -55.4 | 179.8 | 83 | 154.4 | 1.1 | 109.2 | E957 F959 T995 A1001 | E957-R997 HydrophobicContact CB-CB 4.28Å; E957-R997 PolarHBondContact N-O 2.93Å; E957-R997 PolarHBondContact O-N 2.94Å; F959-R997 HydrophobicContact CD2-CG 4.38Å; F959-R997 HydrophobicContact CE2-CG 4.22Å; T995-R997 HydrophobicContact CG2-CG 4.25Å; R997-A1001 CarbonylContact C-O 3.53Å; R997-A1001 WeakPolarHBondContact CA-O 3.48Å |
| 998 | L | 90.2 | Very high | 89.4 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 99.9 | -177.9 | -59.5 | 168.3 | 0 | 0 | 0 | 106.3 | P845 P925 L950 A953 N955 V956 V996 Q1000 A1001 | P845-L998 WeakPolarHBondContact CG-O 3.24Å; P925-L998 HydrophobicContact CB-CD1 3.31Å; P925-L998 HydrophobicContact CG-CB 4.47Å; P925-L998 HydrophobicContact CG-CD1 3.49Å; P925-L998 VanDerWaalsContact CG-CD1 3.49Å; L950-L998 HydrophobicContact CD2-CD1 4.49Å; L950-L998 WeakPolarHBondContact O-CD2 3.42Å; A953-L998 HydrophobicContact CB-CB 3.84Å; A953-L998 HydrophobicContact CB-CD2 4.26Å; N955-L998 WeakPolarHBondContact O-CA 3.23Å; V956-L998 HydrophobicContact CB-CD2 4.11Å; V956-L998 HydrophobicContact CG1-CD2 3.71Å; V956-L998 HydrophobicContact CG2-CD2 3.76Å; V996-L998 HydrophobicContact CG1-CD1 4.29Å; V996-L998 HydrophobicContact CG1-CD2 4.14Å; V996-L998 HydrophobicContact CG1-CG 4.03Å; L998-Q1000 PolarHBondContact O-N 2.61Å; L998-Q1000 VanDerWaalsContact O-N 3.11Å; L998-A1001 HydrophobicContact CB-CB 4.31Å; L998-A1001 PolarHBondContact N-O 2.96Å; L998-A1001 WeakPolarHBondContact O-CA 3Å; L998-A1001 VanDerWaalsContact O-CB 3.3Å; L998-A1001 WeakPolarHBondContact O-CB 3.26Å; L998-A1001 PolarHBondContact O-N 2.76Å |
| 999 | D | 88.3 | Confident | 89.8 | Confident | 27 Ų | 27 | 51.7 Ų | 51.7 | 14% | 0.144 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | -111.9 | -166.9 | -56.6 | -29.6 | 0 | 0 | 0 | 112.3 | P845 G848 T850 T954 N955 | P845-D999 WeakPolarHBondContact CD-OD2 3.2Å; P845-D999 HydrophobicContact CG-CB 3.77Å; G848-D999 WeakPolarHBondContact O-CB 3.18Å; T850-D999 WeakPolarHBondContact CA-OD2 3.23Å; T850-D999 WeakPolarHBondContact CB-OD2 3.27Å; T850-D999 PolarHBondContact OG1-OD2 2.96Å; T954-D999 WeakPolarHBondContact CA-OD1 3.41Å; T954-D999 VanDerWaalsContact CB-OD1 3.28Å; T954-D999 WeakPolarHBondContact CB-OD1 3.35Å; T954-D999 PolarHBondContact N-OD1 3.35Å; T954-D999 PolarHBondContact N-OD2 3.03Å; T954-D999 VanDerWaalsContact N-OD2 3.17Å; N955-D999 PolarHBondContact N-OD1 3.22Å; N955-D999 PolarHBondContact O-N 2.96Å |
| 1000 | Q | 89.1 | Confident | 90.1 | Very high | 130 Ų | 130 | 51 Ų | 51 | 61% | 0.607 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -3.9 | 173.2 | -68.4 | -164.5 | 39.7 | 0 | 0 | 115.1 | E847 G848 L998 | E847-Q1000 HydrophobicContact CB-CB 3.93Å; G848-Q1000 WeakPolarHBondContact O-CB 3.2Å; G848-Q1000 PolarHBondContact O-N 2.89Å; L998-Q1000 PolarHBondContact O-N 2.61Å; L998-Q1000 VanDerWaalsContact O-N 3.11Å |
| 1001 | A | 87.4 | Confident | 90.2 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 134.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | P845 E847 P925 R997 L998 | P845-A1001 HydrophobicContact CB-CB 3.77Å; P845-A1001 HydrophobicContact CG-CB 4.36Å; E847-A1001 HydrophobicContact CG-CB 4.44Å; E847-A1001 WeakPolarHBondContact OE2-CB 3.37Å; P925-A1001 HydrophobicContact CG-CB 4.19Å; R997-A1001 CarbonylContact C-O 3.53Å; R997-A1001 WeakPolarHBondContact CA-O 3.48Å; L998-A1001 HydrophobicContact CB-CB 4.31Å; L998-A1001 PolarHBondContact N-O 2.96Å; L998-A1001 WeakPolarHBondContact O-CA 3Å; L998-A1001 VanDerWaalsContact O-CB 3.3Å; L998-A1001 WeakPolarHBondContact O-CB 3.26Å; L998-A1001 PolarHBondContact O-N 2.76Å |
| 1002 | S | 90.7 | Very high | 90.4 | Very high | 59 Ų | 59 | 46.9 Ų | 46.9 | 41% | 0.413 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 129.6 | 172.1 | -168 | 0 | 0 | 0 | 0 | 110 | T995 V996 | T995-S1002 WeakPolarHBondContact CG2-OG 3.45Å; V996-S1002 WeakPolarHBondContact O-CA 3.33Å |
| 1003 | R | 91.7 | Very high | 90.5 | Very high | 48 Ų | 48 | 42 Ų | 42 | 18% | 0.181 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 135.8 | 179.2 | -57.1 | -63.6 | 177 | -94.7 | -0.2 | 109 | E847 D924 P925 V927 V996 | E847-R1003 IonicContact OE1-CZ 3.24Å; E847-R1003 VanDerWaalsContact OE1-CZ 3.28Å; E847-R1003 IonicContact OE1-NH1 2.64Å; E847-R1003 PolarHBondContact OE1-NH1 3.34Å; E847-R1003 IonicContact OE1-NH2 2.72Å; E847-R1003 PolarHBondContact OE1-NH2 2.96Å; E847-R1003 IonicContact OE2-NH2 3.24Å; E847-R1003 PolarHBondContact OE2-NH2 3.24Å; D924-R1003 IonicContact OD1-CZ 2.95Å; D924-R1003 IonicContact OD1-NE 3.86Å; D924-R1003 IonicContact OD1-NH2 3.55Å; D924-R1003 PolarHBondContact OD1-NH2 2.95Å; P925-R1003 WeakPolarHBondContact O-CD 3.43Å; P925-R1003 PolarHBondContact O-NE 3.4Å; V927-R1003 HydrophobicContact CB-CB 4.18Å; V927-R1003 HydrophobicContact CG2-CB 3.6Å; V927-R1003 HydrophobicContact CG2-CG 4.22Å; V996-R1003 PolarHBondContact N-O 3.46Å; V996-R1003 PolarHBondContact O-N 3.49Å |
| 1004 | I | 90.8 | Very high | 90.6 | Very high | 97 Ų | 97 | 40.1 Ų | 40.1 | 50% | 0.497 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 133.5 | -171.8 | -56.9 | 174.1 | 0 | 0 | 0 | 109.8 | Q993 V994 T995 | Q993-I1004 HydrophobicContact CB-CG2 3.84Å; Q993-I1004 HydrophobicContact CG-CG2 4.35Å; V994-I1004 WeakPolarHBondContact O-CA 3.39Å; T995-I1004 HydrophobicContact CG2-CG1 4.36Å |
| 1005 | V | 88.7 | Confident | 90.6 | Very high | 20 Ų | 20 | 40.1 Ų | 40.1 | 12% | 0.121 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 108.9 | 167.7 | -175.4 | 0 | 0 | 0 | 0 | 108.6 | V927 Y930 Q993 V994 S1007 | V927-V1005 HydrophobicContact CB-CG2 4.22Å; V927-V1005 HydrophobicContact CG1-CG2 3.37Å; Y930-V1005 HydrophobicContact CD1-CB 4.12Å; Y930-V1005 HydrophobicContact CD1-CG1 3.8Å; Y930-V1005 HydrophobicContact CE1-CB 4.34Å; Y930-V1005 HydrophobicContact CE1-CG1 3.95Å; Q993-V1005 WeakPolarHBondContact CA-O 3.41Å; V994-V1005 PolarHBondContact N-O 3.38Å; V994-V1005 PolarHBondContact O-N 3.28Å; V1005-S1007 PolarHBondContact O-N 2.93Å |
| 1006 | A | 86.8 | Confident | 90.5 | Very high | 95 Ų | 95 | 42.7 Ų | 42.7 | 79% | 0.785 | 24% | 0.242 | S | C | * | . | trans | -80.4 | 61.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1007 | S | 84.7 | Confident | 90.3 | Very high | 35 Ų | 35 | 43.2 Ų | 43.2 | 25% | 0.245 | 25% | 0.245 | C | C | . | . | trans | -129.4 | 136.2 | 172.7 | -173.9 | 0 | 0 | 0 | 0 | 108.4 | Y930 D992 V1005 | Y930-S1007 PolarHBondContact OH-O 2.85Å; D992-S1007 CarbonylContact O-C 3.5Å; V1005-S1007 PolarHBondContact O-N 2.93Å | ||
| 1008 | P | 91 | Very high | 90.1 | Very high | 69 Ų | 69 | 41.1 Ų | 41.1 | 45% | 0.448 | 25% | 0.246 | S | C | . | . | trans | -77.1 | 130.8 | -173.3 | 28.4 | -33.5 | 0 | 0 | 0 | 112.9 | Y930 I990 A991 | Y930-P1008 PolarHBondContact OH-O 3.48Å; I990-P1008 HydrophobicContact CG2-CB 3.95Å; A991-P1008 CarbonylContact O-C 3.52Å; A991-P1008 VanDerWaalsContact O-CA 3.26Å; A991-P1008 WeakPolarHBondContact O-CA 3.5Å | ||
| 1009 | F | 92.7 | Very high | 90 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 128 | 168.2 | -178.4 | -87.7 | 0 | 0 | 0 | 109.7 | Y930 F933 L943 V960 T981 A991 Y1011 | Y930-F1009 HydrophobicContact CE2-CB 4.43Å; Y930-F1009 HydrophobicContact CE2-CD2 4.25Å; Y930-F1009 PolarHBondContact OH-N 2.93Å; F933-F1009 WeakPolarHBondContact O-CA 3.2Å; L943-F1009 HydrophobicContact CD1-CD2 4.36Å; L943-F1009 HydrophobicContact CD1-CE2 3.9Å; L943-F1009 HydrophobicContact CD1-CZ 4.34Å; L943-F1009 HydrophobicContact CD2-CD2 4.39Å; L943-F1009 HydrophobicContact CG-CE2 4.4Å; V960-F1009 HydrophobicContact CG1-CB 3.7Å; V960-F1009 HydrophobicContact CG1-CD1 3.53Å; V960-F1009 HydrophobicContact CG1-CE1 4.34Å; V960-F1009 HydrophobicContact CG1-CG 3.73Å; T981-F1009 HydrophobicContact CG2-CE1 4.03Å; T981-F1009 HydrophobicContact CG2-CE2 4.34Å; T981-F1009 HydrophobicContact CG2-CZ 3.72Å; A991-F1009 PolarHBondContact N-O 3.21Å; A991-F1009 PolarHBondContact O-N 3.01Å; F1009-Y1011 AromaticContact CD1-CD2 3.89Å; F1009-Y1011 HydrophobicContact CD1-CD2 3.89Å; F1009-Y1011 AromaticContact CD1-CE2 3.73Å; F1009-Y1011 HydrophobicContact CD1-CE2 3.73Å; F1009-Y1011 HydrophobicContact CD1-CG 4.39Å; F1009-Y1011 AromaticContact CE1-CD1 3.96Å; F1009-Y1011 HydrophobicContact CE1-CD1 3.96Å; F1009-Y1011 AromaticContact CE1-CD2 3.93Å; F1009-Y1011 HydrophobicContact CE1-CD2 3.93Å; F1009-Y1011 AromaticContact CE1-CE1 3.84Å; F1009-Y1011 HydrophobicContact CE1-CE1 3.84Å; F1009-Y1011 AromaticContact CE1-CE2 3.8Å; F1009-Y1011 HydrophobicContact CE1-CE2 3.8Å; F1009-Y1011 HydrophobicContact CE1-CG 4.01Å; F1009-Y1011 AromaticContact CE1-CZ 3.75Å |
| 1010 | T | 93.1 | Very high | 89.9 | Confident | 47 Ų | 47 | 42.6 Ų | 42.6 | 29% | 0.288 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 118.4 | -177.5 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | F933 V934 G935 I990 A1012 | F933-T1010 PolarHBondContact O-N 2.87Å; V934-T1010 WeakPolarHBondContact CA-O 3.44Å; V934-T1010 HydrophobicContact CG2-CG2 4.49Å; V934-T1010 WeakPolarHBondContact CG2-O 3.31Å; G935-T1010 PolarHBondContact N-O 2.84Å; G935-T1010 VanDerWaalsContact N-O 3.11Å; I990-T1010 HydrophobicContact CG1-CG2 4.34Å; T1010-A1012 PolarHBondContact O-N 2.63Å |
| 1011 | Y | 92.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 97.4 | 167 | -73 | -86.9 | 0 | 0 | 0 | 109.7 | G935 V960 I963 T981 S982 S984 N988 H989 F1009 | G935-Y1011 CarbonylContact O-C 3.11Å; G935-Y1011 WeakPolarHBondContact O-CA 3.2Å; V960-Y1011 HydrophobicContact CG1-CE2 3.86Å; I963-Y1011 HydrophobicContact CD1-CD2 4.5Å; I963-Y1011 HydrophobicContact CD1-CE2 3.83Å; T981-Y1011 HydrophobicContact CG2-CE1 4.48Å; S982-Y1011 WeakPolarHBondContact O-CE1 3.33Å; S984-Y1011 VanDerWaalsContact CB-CG 3.49Å; N988-Y1011 CarbonylContact C-O 3.55Å; N988-Y1011 WeakPolarHBondContact CA-O 3.39Å; N988-Y1011 PolarHBondContact N-O 2.96Å; H989-Y1011 HydrophobicContact CB-CD2 4.39Å; H989-Y1011 PolarHBondContact N-O 3.29Å; H989-Y1011 AromaticContact ND1-CD2 3.8Å; H989-Y1011 PolarHBondContact O-N 3.15Å; F1009-Y1011 AromaticContact CD1-CD2 3.89Å; F1009-Y1011 HydrophobicContact CD1-CD2 3.89Å; F1009-Y1011 AromaticContact CD1-CE2 3.73Å; F1009-Y1011 HydrophobicContact CD1-CE2 3.73Å; F1009-Y1011 HydrophobicContact CD1-CG 4.39Å; F1009-Y1011 AromaticContact CE1-CD1 3.96Å; F1009-Y1011 HydrophobicContact CE1-CD1 3.96Å; F1009-Y1011 AromaticContact CE1-CD2 3.93Å; F1009-Y1011 HydrophobicContact CE1-CD2 3.93Å; F1009-Y1011 AromaticContact CE1-CE1 3.84Å; F1009-Y1011 HydrophobicContact CE1-CE1 3.84Å; F1009-Y1011 AromaticContact CE1-CE2 3.8Å; F1009-Y1011 HydrophobicContact CE1-CE2 3.8Å; F1009-Y1011 HydrophobicContact CE1-CG 4.01Å; F1009-Y1011 AromaticContact CE1-CZ 3.75Å |
| 1012 | A | 90.7 | Very high | 89.7 | Confident | 12 Ų | 12 | 41.1 Ų | 41.1 | 10% | 0.099 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 163.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V934 G935 P936 R937 T1010 | V934-A1012 HydrophobicContact CG2-CB 3.94Å; G935-A1012 PolarHBondContact O-N 2.04Å; P936-A1012 CarbonylContact C-O 3.5Å; R937-A1012 PolarHBondContact N-O 2.97Å; T1010-A1012 PolarHBondContact O-N 2.63Å |
| 1013 | P | 91.5 | Very high | 89.3 | Confident | 19 Ų | 19 | 41.7 Ų | 41.7 | 12% | 0.123 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 153.9 | 171.8 | -19.3 | 35.4 | 0 | 0 | 0 | 110.9 | A987 N988 Y1039 | A987-P1013 HydrophobicContact CB-CG 4.48Å; N988-P1013 VanDerWaalsContact OD1-CD 3.27Å; N988-P1013 WeakPolarHBondContact OD1-CD 3.25Å; P1013-Y1039 HydrophobicContact CB-CD1 4.36Å; P1013-Y1039 HydrophobicContact CB-CD2 3.85Å; P1013-Y1039 HydrophobicContact CB-CE1 4.23Å; P1013-Y1039 HydrophobicContact CB-CE2 3.7Å; P1013-Y1039 HydrophobicContact CB-CG 4.19Å; P1013-Y1039 HydrophobicContact CG-CD1 4.11Å; P1013-Y1039 HydrophobicContact CG-CD2 4.38Å; P1013-Y1039 HydrophobicContact CG-CE1 3.69Å; P1013-Y1039 HydrophobicContact CG-CE2 3.99Å; P1013-Y1039 HydrophobicContact CG-CG 4.44Å |
| 1014 | D | 91.6 | Very high | 88.9 | Confident | 36 Ų | 36 | 41.4 Ų | 41.4 | 19% | 0.193 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 138.4 | 178.2 | -63.2 | -46.4 | 0 | 0 | 0 | 111 | R937 S938 V1139 | R937-D1014 PolarHBondContact N-OD1 3.47Å; S938-D1014 WeakPolarHBondContact CB-OD1 3.37Å; S938-D1014 PolarHBondContact N-OD1 3.3Å; S938-D1014 PolarHBondContact OG-OD1 2.78Å; S938-D1014 PolarHBondContact OG-OD2 3.34Å; D1014-V1139 HydrophobicContact CB-CG1 3.99Å; D1014-V1139 HydrophobicContact CB-CG2 4.42Å |
| 1015 | P | 92.5 | Very high | 88.6 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -59.5 | 145 | 176.6 | 24.2 | -34.6 | 0 | 0 | 0 | 111.8 | R1038 L1040 V1043 M1136 V1139 L1142 | P1015-R1038 WeakPolarHBondContact CA-O 3.46Å; P1015-L1040 HydrophobicContact CB-CD2 4.41Å; P1015-V1043 HydrophobicContact CG-CG2 3.87Å; P1015-M1136 HydrophobicContact CB-SD 3.92Å; P1015-M1136 HydrophobicContact CG-CB 4.31Å; P1015-M1136 HydrophobicContact CG-SD 3.81Å; P1015-V1139 HydrophobicContact CG-CB 4.49Å; P1015-V1139 HydrophobicContact CG-CG1 4.3Å; P1015-V1139 HydrophobicContact CG-CG2 4Å; P1015-L1142 HydrophobicContact CB-CD1 3.99Å; P1015-L1142 HydrophobicContact CG-CD1 3.73Å; P1015-L1142 WeakPolarHBondContact O-CD1 3.5Å |
| 1016 | V | 90.5 | Very high | 88.4 | Confident | 71 Ų | 71 | 35.9 Ų | 35.9 | 43% | 0.43 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 134.8 | 178.9 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | G1037 R1038 | V1016-G1037 CarbonylContact O-C 3.6Å; V1016-G1037 WeakPolarHBondContact O-CA 3.11Å; V1016-R1038 PolarHBondContact N-O 2.92Å; V1016-R1038 PolarHBondContact O-N 2.96Å |
| 1017 | I | 89.3 | Confident | 88 | Confident | 11 Ų | 11 | 33.6 Ų | 33.6 | 6% | 0.056 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 127.3 | 175 | -57.7 | -83.3 | 0 | 0 | 0 | 108.3 | I1020 V1035 L1040 M1087 F1134 M1136 L1142 L1145 L1149 | I1017-I1020 HydrophobicContact CG2-CG1 4.35Å; I1017-V1035 HydrophobicContact CD1-CG1 3.52Å; I1017-V1035 HydrophobicContact CG2-CG1 3.85Å; I1017-L1040 HydrophobicContact CD1-CD2 4.14Å; I1017-M1087 HydrophobicContact CD1-CE 3.43Å; I1017-M1087 VanDerWaalsContact CD1-CE 3.43Å; I1017-F1134 HydrophobicContact CD1-CD2 3.92Å; I1017-F1134 HydrophobicContact CD1-CE2 3.82Å; I1017-F1134 HydrophobicContact CD1-CG 4.38Å; I1017-F1134 HydrophobicContact CD1-CZ 4.19Å; I1017-F1134 HydrophobicContact CG1-CD2 3.98Å; I1017-F1134 HydrophobicContact CG1-CE2 4.1Å; I1017-F1134 HydrophobicContact CG2-CE2 4.32Å; I1017-M1136 HydrophobicContact CD1-CE 3.84Å; I1017-L1142 HydrophobicContact CB-CD2 4.32Å; I1017-L1142 HydrophobicContact CG1-CD1 4.33Å; I1017-L1142 HydrophobicContact CG1-CD2 3.76Å; I1017-L1145 HydrophobicContact CB-CD1 4.15Å; I1017-L1145 HydrophobicContact CB-CD2 4Å; I1017-L1145 HydrophobicContact CG1-CD1 4.19Å; I1017-L1145 HydrophobicContact CG1-CD2 4.33Å; I1017-L1145 HydrophobicContact CG2-CD1 4.03Å; I1017-L1149 HydrophobicContact CG2-CD1 4.47Å; I1017-L1149 HydrophobicContact CG2-CD2 4.21Å |
| 1018 | T | 87.7 | Confident | 87.6 | Confident | 83 Ų | 83 | 33.7 Ų | 33.7 | 51% | 0.509 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | -32 | -177.8 | 55.6 | 0 | 0 | 0 | 0 | 113.9 | R1036 | T1018-R1036 PolarHBondContact N-O 3.27Å; T1018-R1036 VanDerWaalsContact OG1-C 3.29Å; T1018-R1036 PolarHBondContact OG1-O 2.96Å; T1018-R1036 VanDerWaalsContact OG1-O 3.1Å |
| 1019 | S | 88 | Confident | 87.2 | Confident | 40 Ų | 40 | 30.4 Ų | 30.4 | 28% | 0.28 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 150.3 | 177.6 | 61.2 | 0 | 0 | 0 | 0 | 112.4 | V1035 R1036 | S1019-V1035 WeakPolarHBondContact O-CA 3.29Å; S1019-R1036 PolarHBondContact N-O 3.12Å; S1019-R1036 PolarHBondContact O-N 2.81Å; S1019-R1036 WeakPolarHBondContact OG-CB 3.48Å |
| 1020 | I | 87.4 | Confident | 86.6 | Confident | 21 Ų | 21 | 31.3 Ų | 31.3 | 11% | 0.108 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 127.1 | 173 | -57.9 | 172.1 | 0 | 0 | 0 | 107.3 | I1017 L1033 V1035 L1132 F1134 L1149 | I1017-I1020 HydrophobicContact CG2-CG1 4.35Å; I1020-L1033 HydrophobicContact CG2-CB 4.28Å; I1020-L1033 HydrophobicContact CG2-CD1 4.27Å; I1020-V1035 HydrophobicContact CG1-CG1 4.11Å; I1020-V1035 HydrophobicContact CG1-CG2 4.16Å; I1020-V1035 HydrophobicContact CG2-CG2 4.36Å; I1020-L1132 HydrophobicContact CD1-CD1 3.37Å; I1020-L1132 HydrophobicContact CD1-CD2 3.74Å; I1020-L1132 HydrophobicContact CD1-CG 4.2Å; I1020-F1134 HydrophobicContact CD1-CE2 4.08Å; I1020-F1134 HydrophobicContact CD1-CZ 4.17Å; I1020-L1149 HydrophobicContact CG1-CD2 4.31Å |
| 1021 | S | 85.9 | Confident | 86.3 | Confident | 64 Ų | 64 | 29.7 Ų | 29.7 | 45% | 0.448 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 131.7 | -177.6 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | T1034 | S1021-T1034 PolarHBondContact N-O 2.9Å; S1021-T1034 PolarHBondContact O-N 3.11Å |
| 1022 | P | 85.9 | Confident | 86 | Confident | 35 Ų | 35 | 34.2 Ų | 34.2 | 23% | 0.227 | 21% | 0.209 | C | C | . | . | S | Bend | cis | -69.9 | 164.9 | -4.3 | 27.2 | -31.9 | 0 | 0 | 0 | 113.7 | D1024 R1031 L1033 | P1022-D1024 VanDerWaalsContact C-N 3.32Å; P1022-R1031 VanDerWaalsContact CG-CZ 3.46Å; P1022-L1033 HydrophobicContact CG-CD2 4.17Å |
| 1023 | S | 81.5 | Confident | 85.9 | Confident | 71 Ų | 71 | 33.7 Ų | 33.7 | 50% | 0.497 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -90.4 | 11.3 | -174.7 | 49 | 0 | 0 | 0 | 0 | 114.2 | F1151 T1152 | S1023-F1151 CarbonylContact O-C 3.6Å; S1023-F1151 VanDerWaalsContact O-CA 3.26Å; S1023-F1151 WeakPolarHBondContact O-CA 3.38Å; S1023-F1151 WeakPolarHBondContact O-CB 3.41Å; S1023-T1152 PolarHBondContact O-N 2.93Å |
| 1024 | D | 84.8 | Confident | 85.8 | Confident | 43 Ų | 43 | 34.5 Ų | 34.5 | 23% | 0.23 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 146.3 | -167.4 | 46.4 | -64.2 | 0 | 0 | 0 | 110.9 | P1022 R1031 T1152 | P1022-D1024 VanDerWaalsContact C-N 3.32Å; D1024-R1031 WeakPolarHBondContact O-CD 3.49Å; D1024-R1031 PolarHBondContact O-NH1 3.06Å; D1024-R1031 IonicContact OD1-NH1 3.54Å; D1024-R1031 IonicContact OD2-CZ 3.8Å; D1024-R1031 IonicContact OD2-NH1 3.74Å; D1024-R1031 PolarHBondContact OD2-NH1 3.31Å; D1024-T1152 CarbonylContact C-O 3.53Å; D1024-T1152 WeakPolarHBondContact CA-O 3.29Å |
| 1025 | A | 83 | Confident | 85.8 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 166.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R1031 F1151 T1152 I1153 V1154 | A1025-R1031 HydrophobicContact CB-CB 3.75Å; A1025-R1031 HydrophobicContact CB-CG 4.41Å; A1025-F1151 HydrophobicContact CB-CE2 3.3Å; A1025-F1151 HydrophobicContact CB-CZ 3.62Å; A1025-T1152 PolarHBondContact N-O 2.91Å; A1025-I1153 CarbonylContact O-C 3.58Å; A1025-I1153 VanDerWaalsContact O-CA 3.25Å; A1025-I1153 WeakPolarHBondContact O-CA 3.31Å; A1025-V1154 WeakPolarHBondContact O-CG2 3.46Å; A1025-V1154 PolarHBondContact O-N 2.8Å |
| 1026 | F | 84.6 | Confident | 85.7 | Confident | 1 Ų | 1 | 39 Ų | 39 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 154.1 | -178.6 | 39.7 | -88.3 | 0 | 0 | 0 | 112.2 | S1028 G1029 R1031 D1156 G1184 V1236 L1239 | F1026-S1028 VanDerWaalsContact C-N 3.27Å; F1026-S1028 PolarHBondContact O-N 2.91Å; F1026-G1029 WeakPolarHBondContact CE2-O 3.42Å; F1026-G1029 PolarHBondContact O-N 3.06Å; F1026-R1031 HydrophobicContact CE1-CB 3.85Å; F1026-R1031 HydrophobicContact CE1-CG 4.14Å; F1026-R1031 HydrophobicContact CZ-CB 3.9Å; F1026-D1156 WeakPolarHBondContact CB-OD1 3.41Å; F1026-G1184 WeakPolarHBondContact CD1-O 3.48Å; F1026-V1236 HydrophobicContact CD1-CG1 4.37Å; F1026-V1236 HydrophobicContact CE1-CG1 3.8Å; F1026-V1236 HydrophobicContact CE2-CG1 4.1Å; F1026-V1236 HydrophobicContact CZ-CG1 3.65Å; F1026-L1239 HydrophobicContact CD2-CD1 4.1Å |
| 1027 | R | 79.6 | Confident | 85.7 | Confident | 46 Ų | 46 | 36 Ų | 36 | 17% | 0.174 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -36.1 | -171.9 | -167.2 | 177.6 | -73.5 | -140.5 | 0.3 | 113.7 | G1029 L1094 I1153 V1154 D1156 | R1027-G1029 PolarHBondContact O-N 3.37Å; R1027-L1094 HydrophobicContact CG-CB 3.91Å; R1027-L1094 HydrophobicContact CG-CD1 4.27Å; R1027-L1094 PolarHBondContact O-N 2.9Å; R1027-I1153 HydrophobicContact CB-CG2 4.16Å; R1027-V1154 PolarHBondContact N-O 2.81Å; R1027-V1154 VanDerWaalsContact N-O 3.12Å; R1027-D1156 WeakPolarHBondContact CA-OD1 3.27Å; R1027-D1156 PolarHBondContact N-OD1 3.08Å |
| 1028 | S | 76.4 | Confident | 85.9 | Confident | 38 Ų | 38 | 42.9 Ų | 42.9 | 27% | 0.266 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -8 | 177.3 | -74.8 | 0 | 0 | 0 | 0 | 114.3 | F1026 A1093 D1156 N1238 L1239 | F1026-S1028 VanDerWaalsContact C-N 3.27Å; F1026-S1028 PolarHBondContact O-N 2.91Å; S1028-A1093 WeakPolarHBondContact O-CB 3.25Å; S1028-D1156 WeakPolarHBondContact CB-OD1 3.14Å; S1028-D1156 WeakPolarHBondContact CB-OD2 3.17Å; S1028-D1156 PolarHBondContact N-OD1 2.96Å; S1028-D1156 PolarHBondContact N-OD2 3.07Å; S1028-D1156 VanDerWaalsContact OG-CG 3.29Å; S1028-D1156 PolarHBondContact OG-OD1 3.28Å; S1028-D1156 PolarHBondContact OG-OD2 3.46Å; S1028-N1238 PolarHBondContact O-ND2 3.42Å; S1028-L1239 WeakPolarHBondContact OG-CD2 3.46Å |
| 1029 | G | 81.1 | Confident | 86.1 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | 63.9 | -172.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | F1026 R1027 S1091 N1238 | F1026-G1029 WeakPolarHBondContact CE2-O 3.42Å; F1026-G1029 PolarHBondContact O-N 3.06Å; R1027-G1029 PolarHBondContact O-N 3.37Å; G1029-S1091 WeakPolarHBondContact CA-OG 3.34Å; G1029-N1238 WeakPolarHBondContact O-CB 3.26Å; G1029-N1238 PolarHBondContact O-N 3.03Å; G1029-N1238 PolarHBondContact O-ND2 2.89Å | ||
| 1030 | G | 80.9 | Confident | 86.3 | Confident | 18 Ų | 18 | 41.6 Ų | 41.6 | 19% | 0.186 | 21% | 0.211 | C | C | . | . | trans | 89.7 | 7.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | S1091 | G1030-S1091 PolarHBondContact N-O 2.97Å; G1030-S1091 PolarHBondContact N-OG 2.99Å | ||
| 1031 | R | 85.8 | Confident | 86.4 | Confident | 14 Ų | 14 | 45 Ų | 45 | 5% | 0.053 | 23% | 0.23 | C | C | . | . | trans | -71.1 | 134.5 | 168.6 | -166.6 | 177.7 | -167.8 | -178.3 | 7.1 | 109.4 | P1022 D1024 A1025 F1026 L1033 P1090 S1091 G1184 D1189 | P1022-R1031 VanDerWaalsContact CG-CZ 3.46Å; D1024-R1031 WeakPolarHBondContact O-CD 3.49Å; D1024-R1031 PolarHBondContact O-NH1 3.06Å; D1024-R1031 IonicContact OD1-NH1 3.54Å; D1024-R1031 IonicContact OD2-CZ 3.8Å; D1024-R1031 IonicContact OD2-NH1 3.74Å; D1024-R1031 PolarHBondContact OD2-NH1 3.31Å; A1025-R1031 HydrophobicContact CB-CB 3.75Å; A1025-R1031 HydrophobicContact CB-CG 4.41Å; F1026-R1031 HydrophobicContact CE1-CB 3.85Å; F1026-R1031 HydrophobicContact CE1-CG 4.14Å; F1026-R1031 HydrophobicContact CZ-CB 3.9Å; R1031-L1033 PolarHBondContact O-N 2.93Å; R1031-P1090 CarbonylContact O-C 3.58Å; R1031-P1090 WeakPolarHBondContact O-CA 3.37Å; R1031-S1091 PolarHBondContact N-OG 2.84Å; R1031-S1091 PolarHBondContact O-N 2.53Å; R1031-G1184 PolarHBondContact NE-O 2.91Å; R1031-G1184 PolarHBondContact NH1-O 3.03Å; R1031-D1189 IonicContact CZ-OD2 3.51Å; R1031-D1189 IonicContact NE-OD1 3.58Å; R1031-D1189 IonicContact NE-OD2 2.76Å; R1031-D1189 PolarHBondContact NE-OD2 3.48Å; R1031-D1189 IonicContact NH2-OD2 3.93Å; R1031-D1189 PolarHBondContact NH2-OD2 3.05Å | ||
| 1032 | L | 87 | Confident | 86.6 | Confident | 95 Ų | 95 | 42.2 Ų | 42.2 | 50% | 0.497 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 112.3 | -177.6 | -150.8 | 84.7 | 0 | 0 | 0 | 110.5 | Q1088 | L1032-Q1088 HydrophobicContact CD2-CG 4.43Å |
| 1033 | L | 88.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 134.7 | -179.8 | -50.3 | 177.3 | 0 | 0 | 0 | 110.5 | I1020 P1022 R1031 M1048 Q1088 C1089 | I1020-L1033 HydrophobicContact CG2-CB 4.28Å; I1020-L1033 HydrophobicContact CG2-CD1 4.27Å; P1022-L1033 HydrophobicContact CG-CD2 4.17Å; R1031-L1033 PolarHBondContact O-N 2.93Å; L1033-M1048 HydrophobicContact CD1-CE 3.71Å; L1033-M1048 HydrophobicContact CD1-SD 3.93Å; L1033-Q1088 WeakPolarHBondContact O-CA 3.4Å; L1033-C1089 WeakPolarHBondContact CA-O 3.21Å; L1033-C1089 VanDerWaalsContact CB-O 3.25Å; L1033-C1089 WeakPolarHBondContact CB-O 3.48Å; L1033-C1089 PolarHBondContact N-O 3.21Å; L1033-C1089 PolarHBondContact O-N 3.39Å |
| 1034 | T | 90.7 | Very high | 87 | Confident | 36 Ų | 36 | 42 Ų | 42 | 22% | 0.221 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 116.8 | 170.8 | -60.9 | 0 | 0 | 0 | 0 | 109.1 | S1021 K1086 | S1021-T1034 PolarHBondContact N-O 2.9Å; S1021-T1034 PolarHBondContact O-N 3.11Å; T1034-K1086 HydrophobicContact CG2-CD 4.44Å; T1034-K1086 VanDerWaalsContact CG2-CE 3.47Å; T1034-K1086 HydrophobicContact CG2-CG 4.26Å |
| 1035 | V | 90.5 | Very high | 87 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 126.5 | 177.7 | -173.5 | 0 | 0 | 0 | 0 | 109 | I1017 S1019 I1020 K1086 M1087 C1089 F1134 | I1017-V1035 HydrophobicContact CD1-CG1 3.52Å; I1017-V1035 HydrophobicContact CG2-CG1 3.85Å; S1019-V1035 WeakPolarHBondContact O-CA 3.29Å; I1020-V1035 HydrophobicContact CG1-CG1 4.11Å; I1020-V1035 HydrophobicContact CG1-CG2 4.16Å; I1020-V1035 HydrophobicContact CG2-CG2 4.36Å; V1035-K1086 WeakPolarHBondContact O-CA 2.95Å; V1035-M1087 HydrophobicContact CB-CE 3.71Å; V1035-M1087 HydrophobicContact CB-CG 3.71Å; V1035-M1087 HydrophobicContact CG1-CE 3.42Å; V1035-M1087 VanDerWaalsContact CG1-CE 3.42Å; V1035-M1087 HydrophobicContact CG1-CG 4.27Å; V1035-M1087 HydrophobicContact CG2-CE 4.09Å; V1035-M1087 HydrophobicContact CG2-CG 4.41Å; V1035-M1087 PolarHBondContact N-O 3.03Å; V1035-M1087 PolarHBondContact O-N 3.36Å; V1035-C1089 HydrophobicContact CG2-CB 4.16Å; V1035-F1134 HydrophobicContact CG1-CZ 4.13Å; V1035-F1134 HydrophobicContact CG2-CZ 4.09Å |
| 1036 | R | 92 | Very high | 87.4 | Confident | 133 Ų | 133 | 48.9 Ų | 48.9 | 50% | 0.502 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 149.6 | 173.8 | -65.3 | -174.7 | 168.2 | 105.8 | -5.9 | 110.9 | T1018 S1019 E1085 | T1018-R1036 PolarHBondContact N-O 3.27Å; T1018-R1036 VanDerWaalsContact OG1-C 3.29Å; T1018-R1036 PolarHBondContact OG1-O 2.96Å; T1018-R1036 VanDerWaalsContact OG1-O 3.1Å; S1019-R1036 PolarHBondContact N-O 3.12Å; S1019-R1036 PolarHBondContact O-N 2.81Å; S1019-R1036 WeakPolarHBondContact OG-CB 3.48Å; R1036-E1085 CarbonylContact C-O 3.55Å; R1036-E1085 VanDerWaalsContact CA-O 3.23Å; R1036-E1085 WeakPolarHBondContact CA-O 3.49Å |
| 1037 | G | 90.5 | Very high | 87.5 | Confident | 6 Ų | 6 | 50.8 Ų | 50.8 | 6% | 0.062 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.7 | -158.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | V1016 E1085 | V1016-G1037 CarbonylContact O-C 3.6Å; V1016-G1037 WeakPolarHBondContact O-CA 3.11Å; G1037-E1085 PolarHBondContact N-O 3.48Å; G1037-E1085 VanDerWaalsContact O-CA 3.32Å; G1037-E1085 WeakPolarHBondContact O-CA 3.47Å |
| 1038 | R | 92.7 | Very high | 87.8 | Confident | 157 Ų | 157 | 48.6 Ų | 48.6 | 59% | 0.592 | 22% | 0.224 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 149.2 | 169.9 | -62.9 | -176.8 | -176.2 | 175.9 | 2.4 | 108.9 | P1015 V1016 L1040 N1084 | P1015-R1038 WeakPolarHBondContact CA-O 3.46Å; V1016-R1038 PolarHBondContact N-O 2.92Å; V1016-R1038 PolarHBondContact O-N 2.96Å; R1038-L1040 PolarHBondContact O-N 2.88Å; R1038-N1084 CarbonylContact C-O 3.4Å; R1038-N1084 WeakPolarHBondContact CA-O 3.47Å |
| 1039 | Y | 92.1 | Very high | 88.1 | Confident | 94 Ų | 94 | 47.1 Ų | 47.1 | 37% | 0.369 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 57.1 | 28.6 | 179.1 | -45.5 | -73.2 | 0 | 0 | 0 | 114 | P1013 D1041 S1042 N1084 | P1013-Y1039 HydrophobicContact CB-CD1 4.36Å; P1013-Y1039 HydrophobicContact CB-CD2 3.85Å; P1013-Y1039 HydrophobicContact CB-CE1 4.23Å; P1013-Y1039 HydrophobicContact CB-CE2 3.7Å; P1013-Y1039 HydrophobicContact CB-CG 4.19Å; P1013-Y1039 HydrophobicContact CG-CD1 4.11Å; P1013-Y1039 HydrophobicContact CG-CD2 4.38Å; P1013-Y1039 HydrophobicContact CG-CE1 3.69Å; P1013-Y1039 HydrophobicContact CG-CE2 3.99Å; P1013-Y1039 HydrophobicContact CG-CG 4.44Å; Y1039-D1041 PolarHBondContact O-N 2.98Å; Y1039-S1042 WeakPolarHBondContact O-CB 3.15Å; Y1039-S1042 PolarHBondContact O-N 3.42Å; Y1039-S1042 VanDerWaalsContact O-N 3.12Å; Y1039-S1042 PolarHBondContact O-OG 3.49Å; Y1039-N1084 PolarHBondContact N-O 3.14Å |
| 1040 | L | 92 | Very high | 87.9 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -66.6 | -19 | -179.7 | -58.5 | -179.3 | 0 | 0 | 0 | 112.9 | P1015 I1017 R1038 S1042 V1081 N1084 M1087 M1136 | P1015-L1040 HydrophobicContact CB-CD2 4.41Å; I1017-L1040 HydrophobicContact CD1-CD2 4.14Å; R1038-L1040 PolarHBondContact O-N 2.88Å; L1040-S1042 VanDerWaalsContact C-N 3.34Å; L1040-V1081 HydrophobicContact CB-CG1 4.11Å; L1040-V1081 WeakPolarHBondContact O-CG2 3.37Å; L1040-N1084 WeakPolarHBondContact CG-O 3.47Å; L1040-N1084 PolarHBondContact N-O 2.78Å; L1040-M1087 HydrophobicContact CD1-CB 4.21Å; L1040-M1087 HydrophobicContact CD1-CG 4.03Å; L1040-M1087 HydrophobicContact CD1-SD 4.46Å; L1040-M1136 HydrophobicContact CD2-CE 4.38Å |
| 1041 | D | 90 | Very high | 87.4 | Confident | 94 Ų | 94 | 46.9 Ų | 46.9 | 50% | 0.503 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -81.2 | -7.4 | 175.8 | 58.9 | -23.8 | 0 | 0 | 0 | 113.9 | Y1039 V1043 V1081 N1084 | Y1039-D1041 PolarHBondContact O-N 2.98Å; D1041-V1043 PolarHBondContact O-N 3.48Å; D1041-V1081 HydrophobicContact CB-CG1 4.46Å; D1041-N1084 VanDerWaalsContact OD1-CB 3.3Å; D1041-N1084 WeakPolarHBondContact OD1-CB 3.21Å |
| 1042 | S | 90.3 | Very high | 86.2 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 3% | 0.028 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -75.1 | -7.5 | 174.2 | 77.8 | 0 | 0 | 0 | 0 | 113.4 | G935 P936 Y1039 L1040 | G935-S1042 WeakPolarHBondContact CA-O 3.44Å; P936-S1042 WeakPolarHBondContact CD-O 3.3Å; Y1039-S1042 WeakPolarHBondContact O-CB 3.15Å; Y1039-S1042 PolarHBondContact O-N 3.42Å; Y1039-S1042 VanDerWaalsContact O-N 3.12Å; Y1039-S1042 PolarHBondContact O-OG 3.49Å; L1040-S1042 VanDerWaalsContact C-N 3.34Å |
| 1043 | V | 90 | Very high | 84.7 | Confident | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.03 | 23% | 0.225 | C | C | . | . | trans | -122.6 | 126.1 | -173.4 | -179.9 | 0 | 0 | 0 | 0 | 109.9 | P936 P1015 D1041 P1046 M1136 | P936-V1043 HydrophobicContact CG-CG2 4.42Å; P1015-V1043 HydrophobicContact CG-CG2 3.87Å; D1041-V1043 PolarHBondContact O-N 3.48Å; V1043-P1046 HydrophobicContact CG1-CB 4.45Å; V1043-M1136 HydrophobicContact CG1-CB 4.09Å; V1043-M1136 HydrophobicContact CG1-CG 4.29Å; V1043-M1136 HydrophobicContact CG2-CB 4.04Å; V1043-M1136 HydrophobicContact CG2-SD 4.4Å | ||
| 1044 | Q | 84.3 | Confident | 83 | Confident | 97 Ų | 97 | 56.9 Ų | 56.9 | 45% | 0.453 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -71.3 | -37.5 | -177.3 | -77.4 | -175.3 | -34.3 | 0 | 0 | 114 | H931 P932 | H931-Q1044 PolarHBondContact NE2-NE2 3.03Å; P932-Q1044 HydrophobicContact CB-CG 4.35Å; P932-Q1044 HydrophobicContact CG-CG 4.11Å |
| 1045 | R | 86.3 | Confident | 81.1 | Confident | 185 Ų | 185 | 56.1 Ų | 56.1 | 70% | 0.698 | 25% | 0.246 | S | C | * | . | trans | -139.7 | 73.5 | -172.2 | -75.6 | -173.9 | 164.9 | -169.4 | -3.1 | 112.8 | L1047 | R1045-L1047 PolarHBondContact O-N 3.15Š| ||
| 1046 | P | 89.8 | Confident | 79.2 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.013 | 26% | 0.263 | C | S | . | . | trans | -68 | 129.5 | 173.9 | 22.5 | -26.6 | 0 | 0 | 0 | 111.6 | V1043 C1079 V1081 M1087 M1136 | V1043-P1046 HydrophobicContact CG1-CB 4.45Å; P1046-C1079 HydrophobicContact CB-CB 4.22Å; P1046-C1079 HydrophobicContact CG-CB 4.02Å; P1046-C1079 PolarHBondContact O-N 2.93Å; P1046-V1081 HydrophobicContact CG-CG2 3.52Å; P1046-M1087 HydrophobicContact CB-SD 4.25Å; P1046-M1087 HydrophobicContact CG-SD 4.24Å; P1046-M1136 HydrophobicContact CB-CE 3.73Å; P1046-M1136 HydrophobicContact CB-CG 3.98Å; P1046-M1136 HydrophobicContact CB-SD 4.25Å | ||
| 1047 | L | 87 | Confident | 77.5 | Confident | 42 Ų | 42 | 54.2 Ų | 54.2 | 22% | 0.22 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 129.9 | 180 | -64.1 | 163.4 | 0 | 0 | 0 | 110.6 | R1045 L1076 I1078 F1134 L1135 | R1045-L1047 PolarHBondContact O-N 3.15Å; L1047-L1076 HydrophobicContact CB-CD2 4.03Å; L1047-L1076 HydrophobicContact CD1-CD2 4.47Å; L1047-L1076 HydrophobicContact CD2-CB 4.25Å; L1047-I1078 HydrophobicContact CD2-CB 4.38Å; L1047-I1078 HydrophobicContact CD2-CD1 4.49Å; L1047-I1078 HydrophobicContact CD2-CG1 3.42Å; L1047-I1078 VanDerWaalsContact CD2-CG1 3.42Å; L1047-F1134 CarbonylContact O-C 3.58Å; L1047-F1134 VanDerWaalsContact O-CA 3.23Å; L1047-F1134 WeakPolarHBondContact O-CA 3.41Å; L1047-L1135 HydrophobicContact CB-CB 4.09Å; L1047-L1135 HydrophobicContact CD1-CB 4.44Å; L1047-L1135 PolarHBondContact N-O 2.93Å; L1047-L1135 VanDerWaalsContact N-O 3.1Å; L1047-L1135 PolarHBondContact O-N 3.09Å |
| 1048 | M | 85.8 | Confident | 75.7 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 138 | 174.9 | -172.7 | -179.9 | 179.4 | 0 | 0 | 111.2 | L1033 K1077 C1089 P1092 L1132 F1134 | L1033-M1048 HydrophobicContact CD1-CE 3.71Å; L1033-M1048 HydrophobicContact CD1-SD 3.93Å; M1048-K1077 PolarHBondContact N-O 2.89Å; M1048-K1077 PolarHBondContact O-N 3.12Å; M1048-C1089 HydrophobicContact SD-CB 3.91Å; M1048-P1092 HydrophobicContact CG-CG 4.36Å; M1048-L1132 HydrophobicContact CE-CB 4.37Å; M1048-L1132 HydrophobicContact CE-CD2 4.05Å; M1048-F1134 HydrophobicContact CB-CD1 4.06Å; M1048-F1134 HydrophobicContact CB-CE1 3.76Å; M1048-F1134 HydrophobicContact CG-CD1 4.41Å; M1048-F1134 HydrophobicContact CG-CE1 3.84Å; M1048-F1134 HydrophobicContact CG-CZ 4.14Å; M1048-F1134 HydrophobicContact SD-CE1 4.3Å; M1048-F1134 HydrophobicContact SD-CZ 4.31Å |
| 1049 | Y | 83.1 | Confident | 73.5 | Confident | 6 Ų | 6 | 50 Ų | 50 | 2% | 0.024 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 161.8 | 174.6 | 60.3 | -88.9 | 0 | 0 | 0 | 113.1 | L1051 I1057 L1076 L1132 G1133 L1135 R1143 | Y1049-L1051 HydrophobicContact CD2-CD2 4.32Å; Y1049-L1051 HydrophobicContact CD2-CG 4.16Å; Y1049-L1051 HydrophobicContact CE2-CD1 4.29Å; Y1049-L1051 HydrophobicContact CE2-CD2 3.72Å; Y1049-L1051 HydrophobicContact CE2-CG 3.79Å; Y1049-I1057 HydrophobicContact CD2-CB 4.35Å; Y1049-I1057 HydrophobicContact CD2-CD1 4.28Å; Y1049-I1057 HydrophobicContact CD2-CG1 3.79Å; Y1049-I1057 HydrophobicContact CD2-CG2 4.05Å; Y1049-I1057 HydrophobicContact CE1-CD1 4.5Å; Y1049-I1057 HydrophobicContact CE2-CD1 4.1Å; Y1049-I1057 HydrophobicContact CE2-CG1 3.7Å; Y1049-I1057 HydrophobicContact CG-CG1 4.44Å; Y1049-I1057 HydrophobicContact CG-CG2 4.18Å; Y1049-L1076 HydrophobicContact CD1-CD2 4.09Å; Y1049-L1076 HydrophobicContact CG-CD2 4.38Å; Y1049-L1132 WeakPolarHBondContact O-CA 3.47Å; Y1049-G1133 WeakPolarHBondContact CD1-O 3.04Å; Y1049-G1133 VanDerWaalsContact CE1-C 3.46Å; Y1049-G1133 PolarHBondContact N-O 3.05Å; Y1049-G1133 PolarHBondContact O-N 2.85Å; Y1049-G1133 VanDerWaalsContact O-N 3.1Å; Y1049-L1135 HydrophobicContact CD1-CD1 4.1Å; Y1049-L1135 HydrophobicContact CD1-CG 4.26Å; Y1049-L1135 HydrophobicContact CE1-CB 4.28Å; Y1049-L1135 HydrophobicContact CE1-CD1 3.97Å; Y1049-L1135 HydrophobicContact CE1-CG 3.71Å; Y1049-R1143 VanDerWaalsContact OH-C 3.29Å; Y1049-R1143 WeakPolarHBondContact OH-CA 3.35Å; Y1049-R1143 WeakPolarHBondContact OH-CB 3.44Å; Y1049-R1143 PolarHBondContact OH-O 2.88Å |
| 1050 | L | 76.9 | Confident | 71.3 | Confident | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 137.8 | 174.1 | -60.2 | 172.2 | 0 | 0 | 0 | 110.3 | Q1058 P1092 L1094 F1151 I1153 | L1050-Q1058 PolarHBondContact O-N 3.02Å; L1050-P1092 HydrophobicContact CD1-CB 4.07Å; L1050-P1092 HydrophobicContact CG-CB 4.09Å; L1050-P1092 HydrophobicContact CG-CG 4.09Å; L1050-L1094 HydrophobicContact CD1-CD2 3.58Å; L1050-L1094 HydrophobicContact CD1-CG 4.19Å; L1050-F1151 HydrophobicContact CD1-CE1 4.46Å; L1050-F1151 HydrophobicContact CD2-CD1 3.99Å; L1050-F1151 HydrophobicContact CD2-CE1 3.79Å; L1050-I1153 HydrophobicContact CD1-CD1 4.01Å; L1050-I1153 HydrophobicContact CD1-CG1 4.34Å |
| 1051 | L | 71.2 | Confident | 68.9 | Low | 7 Ų | 7 | 55.2 Ų | 55.2 | 4% | 0.037 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 130.1 | 176.1 | -69.7 | 155.2 | 0 | 0 | 0 | 108.8 | Y1049 G1055 D1131 H1144 | Y1049-L1051 HydrophobicContact CD2-CD2 4.32Å; Y1049-L1051 HydrophobicContact CD2-CG 4.16Å; Y1049-L1051 HydrophobicContact CE2-CD1 4.29Å; Y1049-L1051 HydrophobicContact CE2-CD2 3.72Å; Y1049-L1051 HydrophobicContact CE2-CG 3.79Å; L1051-G1055 WeakPolarHBondContact CD2-O 3.42Å; L1051-D1131 HydrophobicContact CB-CB 3.99Å; L1051-D1131 HydrophobicContact CD1-CB 3.94Å; L1051-D1131 PolarHBondContact N-O 3.22Å; L1051-H1144 VanDerWaalsContact CD1-CD2 3.47Å; L1051-H1144 WeakPolarHBondContact CD1-CD2 3.14Å |
| 1052 | N | 58.9 | Low | 66.3 | Low | 33 Ų | 33 | 55 Ų | 55 | 18% | 0.176 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 164.5 | 172 | 119 | 46.5 | 0 | 0 | 0 | 109.3 | N1054 G1055 L1056 | N1052-N1054 CarbonylContact O-C 3.5Å; N1052-N1054 WeakPolarHBondContact O-CA 3.43Å; N1052-N1054 PolarHBondContact O-N 3.36Å; N1052-N1054 VanDerWaalsContact OD1-CA 3.28Å; N1052-N1054 WeakPolarHBondContact OD1-CA 3.45Å; N1052-N1054 PolarHBondContact OD1-N 3.3Å; N1052-G1055 PolarHBondContact O-N 2.88Å; N1052-L1056 PolarHBondContact N-O 2.77Å |
| 1053 | R | 56.4 | Low | 63.7 | Low | 204 Ų | 204 | 60 Ų | 60 | 77% | 0.77 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.4 | -26.2 | 171.3 | -81.1 | -175 | 174.3 | -177.9 | -2.8 | 114.3 | R319 | R319-R1053 PolarHBondContact NE-O 3.33Å; R319-R1053 PolarHBondContact NH2-O 3.29Å |
| 1054 | N | 52.1 | Low | 61.1 | Low | 82 Ų | 82 | 65.8 Ų | 65.8 | 44% | 0.439 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -37.8 | -29.7 | 154.8 | -2.4 | -42 | 0 | 0 | 0 | 122.1 | R319 N1052 L1056 | R319-N1054 VanDerWaalsContact CD-C 3.4Å; R319-N1054 WeakPolarHBondContact CD-O 3.49Å; R319-N1054 PolarHBondContact NE-O 3.1Å; R319-N1054 VanDerWaalsContact NH1-CB 3.27Å; R319-N1054 PolarHBondContact NH1-O 3.44Å; R319-N1054 VanDerWaalsContact NH2-N 3.19Å; R319-N1054 PolarHBondContact NH2-OD1 3.37Å; N1052-N1054 CarbonylContact O-C 3.5Å; N1052-N1054 WeakPolarHBondContact O-CA 3.43Å; N1052-N1054 PolarHBondContact O-N 3.36Å; N1052-N1054 VanDerWaalsContact OD1-CA 3.28Å; N1052-N1054 WeakPolarHBondContact OD1-CA 3.45Å; N1052-N1054 PolarHBondContact OD1-N 3.3Å; N1054-L1056 HydrophobicContact CB-CD1 4.05Å; N1054-L1056 HydrophobicContact CB-CG 4.12Å; N1054-L1056 PolarHBondContact O-N 2.89Å |
| 1055 | G | 51.7 | Low | 58.6 | Low | 21 Ų | 21 | 69 Ų | 69 | 22% | 0.216 | 36% | 0.357 | C | S | . | . | S | Bend | trans | 54.9 | 14.3 | -155.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1051 N1052 | L1051-G1055 WeakPolarHBondContact CD2-O 3.42Å; N1052-G1055 PolarHBondContact O-N 2.88Å |
| 1056 | L | 49.7 | Very low | 56.2 | Low | 67 Ų | 67 | 66.4 Ų | 66.4 | 35% | 0.351 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -96.4 | 134.3 | 177.9 | -66.9 | 174.3 | 0 | 0 | 0 | 107.1 | N1052 N1054 Q1058 V1061 | N1052-L1056 PolarHBondContact N-O 2.77Å; N1054-L1056 HydrophobicContact CB-CD1 4.05Å; N1054-L1056 HydrophobicContact CB-CG 4.12Å; N1054-L1056 PolarHBondContact O-N 2.89Å; L1056-Q1058 PolarHBondContact O-N 3.36Å; L1056-V1061 HydrophobicContact CB-CG2 4.32Å; L1056-V1061 HydrophobicContact CD1-CG2 4.12Å |
| 1057 | I | 56.6 | Low | 53.7 | Low | 26 Ų | 26 | 74.2 Ų | 74.2 | 13% | 0.133 | 40% | 0.4 | C | S | . | . | B | Isolated β-bridge | trans | -56.3 | 127.8 | 169.5 | -55.3 | -179.8 | 0 | 0 | 0 | 106.2 | Y1049 S1059 E1060 L1135 | Y1049-I1057 HydrophobicContact CD2-CB 4.35Å; Y1049-I1057 HydrophobicContact CD2-CD1 4.28Å; Y1049-I1057 HydrophobicContact CD2-CG1 3.79Å; Y1049-I1057 HydrophobicContact CD2-CG2 4.05Å; Y1049-I1057 HydrophobicContact CE1-CD1 4.5Å; Y1049-I1057 HydrophobicContact CE2-CD1 4.1Å; Y1049-I1057 HydrophobicContact CE2-CG1 3.7Å; Y1049-I1057 HydrophobicContact CG-CG1 4.44Å; Y1049-I1057 HydrophobicContact CG-CG2 4.18Å; I1057-S1059 WeakPolarHBondContact CG2-OG 3.33Å; I1057-S1059 PolarHBondContact O-N 2.96Å; I1057-E1060 HydrophobicContact CB-CG 4.42Å; I1057-E1060 PolarHBondContact O-N 2.89Å; I1057-L1135 HydrophobicContact CD1-CD1 4.4Å |
| 1058 | Q | 51.9 | Low | 51.2 | Low | 46 Ų | 46 | 79 Ų | 79 | 22% | 0.215 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -12.3 | -172 | -156.4 | 167.2 | -7.5 | 0 | 0 | 114.1 | L1050 L1056 L1094 | L1050-Q1058 PolarHBondContact O-N 3.02Å; L1056-Q1058 PolarHBondContact O-N 3.36Å; Q1058-L1094 VanDerWaalsContact NE2-CD2 3.3Å |
| 1059 | S | 47.1 | Very low | 49.1 | Very low | 28 Ų | 28 | 86.1 Ų | 86.1 | 20% | 0.196 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -16.4 | 171.5 | 70.5 | 0 | 0 | 0 | 0 | 115.8 | I1057 | I1057-S1059 WeakPolarHBondContact CG2-OG 3.33Å; I1057-S1059 PolarHBondContact O-N 2.96Å |
| 1060 | E | 45.1 | Very low | 47 | Very low | 113 Ų | 113 | 92.9 Ų | 92.9 | 53% | 0.528 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -12.2 | -174.7 | -73.8 | -176 | 161.4 | 0 | 0 | 114 | I1057 S1062 | I1057-E1060 HydrophobicContact CB-CG 4.42Å; I1057-E1060 PolarHBondContact O-N 2.89Å; E1060-S1062 VanDerWaalsContact C-N 3.31Å; E1060-S1062 PolarHBondContact O-N 3.26Å |
| 1061 | V | 41.6 | Very low | 45.1 | Very low | 91 Ų | 91 | 100.6 Ų | 100.6 | 55% | 0.552 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -5 | -172.5 | -175.9 | 0 | 0 | 0 | 0 | 113 | L1056 | L1056-V1061 HydrophobicContact CB-CG2 4.32Å; L1056-V1061 HydrophobicContact CD1-CG2 4.12Å |
| 1062 | S | 37.1 | Very low | 43.6 | Very low | 90 Ų | 90 | 107.5 Ų | 107.5 | 63% | 0.629 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -125.3 | 2.8 | -165.1 | -46.9 | 0 | 0 | 0 | 0 | 117.1 | E1060 | E1060-S1062 VanDerWaalsContact C-N 3.31Å; E1060-S1062 PolarHBondContact O-N 3.26Å |
| 1063 | V | 35.3 | Very low | 42.9 | Very low | 109 Ų | 109 | 112.2 Ų | 112.2 | 66% | 0.661 | 57% | 0.574 | S | S | * | * | trans | -132.3 | 84.4 | -171 | -167.8 | 0 | 0 | 0 | 0 | 113 | K1065 | V1063-K1065 WeakPolarHBondContact CG1-O 3.15Å; V1063-K1065 PolarHBondContact O-N 2.84Å | ||
| 1064 | S | 34.7 | Very low | 42.3 | Very low | 126 Ų | 126 | 105.5 Ų | 105.5 | 88% | 0.881 | 56% | 0.556 | S | S | * | * | trans | -83 | 20.9 | 163.9 | 51 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1065 | K | 32.7 | Very low | 42.3 | Very low | 165 Ų | 165 | 103.9 Ų | 103.9 | 72% | 0.717 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -134.2 | 128.1 | 177.4 | -75.7 | -171 | 176.3 | -176.9 | 0 | 112.9 | V1063 H1067 | V1063-K1065 WeakPolarHBondContact CG1-O 3.15Å; V1063-K1065 PolarHBondContact O-N 2.84Å; K1065-H1067 VanDerWaalsContact C-N 3.29Å; K1065-H1067 PolarHBondContact O-N 3.36Å |
| 1066 | P | 36.1 | Very low | 42.7 | Very low | 131 Ų | 131 | 104.2 Ų | 104.2 | 85% | 0.851 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | 8.7 | -167.9 | -6.8 | 22.1 | 0 | 0 | 0 | 117 | ||
| 1067 | H | 37.2 | Very low | 43.6 | Very low | 165 Ų | 165 | 103.4 Ų | 103.4 | 76% | 0.764 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | 6 | -156.3 | -102.1 | -80.1 | 0 | 0 | 0 | 119.2 | K1065 | K1065-H1067 VanDerWaalsContact C-N 3.29Å; K1065-H1067 PolarHBondContact O-N 3.36Å |
| 1068 | H | 34.8 | Very low | 44.9 | Very low | 142 Ų | 142 | 106.9 Ų | 106.9 | 66% | 0.657 | 55% | 0.553 | S | S | * | * | trans | -136.7 | 84.8 | 179.6 | -86.9 | -81.3 | 0 | 0 | 0 | 114.4 | L1070 | H1068-L1070 PolarHBondContact O-N 3.02Š| ||
| 1069 | L | 40.3 | Very low | 46.6 | Very low | 151 Ų | 151 | 104.9 Ų | 104.9 | 79% | 0.791 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -62.2 | -13.2 | 168.4 | -82.3 | 156 | 0 | 0 | 0 | 114 | ||
| 1070 | L | 39.1 | Very low | 48.7 | Very low | 147 Ų | 147 | 112.6 Ų | 112.6 | 77% | 0.77 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -75.2 | -21.7 | -176.7 | -91 | 136.6 | 0 | 0 | 0 | 114.8 | H1068 | H1068-L1070 PolarHBondContact O-N 3.02Š|
| 1071 | Y | 37.8 | Very low | 50.8 | Low | 169 Ų | 169 | 109.2 Ų | 109.2 | 66% | 0.663 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -95.4 | -1.3 | -177.2 | -97.5 | -90.9 | 0 | 0 | 0 | 114.6 | N1073 T1074 | Y1071-N1073 VanDerWaalsContact C-N 3.26Å; Y1071-N1073 PolarHBondContact O-N 3.16Å; Y1071-T1074 PolarHBondContact O-OG1 3.36Å |
| 1072 | R | 39.7 | Very low | 53.1 | Low | 152 Ų | 152 | 108.9 Ų | 108.9 | 57% | 0.574 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -20.4 | 179.1 | -133.6 | 176.9 | -177.6 | 179.9 | 0.2 | 112.6 | ||
| 1073 | N | 43 | Very low | 55.6 | Low | 132 Ų | 132 | 108.4 Ų | 108.4 | 71% | 0.706 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -7.4 | -176.9 | -78.1 | -10.6 | 0 | 0 | 0 | 115 | Y1071 | Y1071-N1073 VanDerWaalsContact C-N 3.26Å; Y1071-N1073 PolarHBondContact O-N 3.16Å |
| 1074 | T | 45.5 | Very low | 58.2 | Low | 62 Ų | 62 | 106.5 Ų | 106.5 | 38% | 0.38 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -26.8 | -177.9 | 16.5 | 0 | 0 | 0 | 0 | 113.4 | Y1071 | Y1071-T1074 PolarHBondContact O-OG1 3.36Š|
| 1075 | F | 51.9 | Low | 60.9 | Low | 48 Ų | 48 | 106 Ų | 106 | 21% | 0.211 | 51% | 0.511 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -27.8 | -171.4 | -54.8 | -81.7 | 0 | 0 | 0 | 114.1 | I1095 | F1075-I1095 HydrophobicContact CE1-CB 4.02Å; F1075-I1095 HydrophobicContact CE1-CD1 3.55Å; F1075-I1095 HydrophobicContact CE1-CG1 3.76Å; F1075-I1095 HydrophobicContact CZ-CD1 3.71Å; F1075-I1095 HydrophobicContact CZ-CG1 4.38Å |
| 1076 | L | 58.9 | Low | 63.6 | Low | 28 Ų | 28 | 101.6 Ų | 101.6 | 15% | 0.147 | 49% | 0.491 | C | S | . | . | S | Bend | trans | -93.6 | 115.8 | 175.7 | -73.1 | 152.4 | 0 | 0 | 0 | 108.2 | L1047 Y1049 L1135 | L1047-L1076 HydrophobicContact CB-CD2 4.03Å; L1047-L1076 HydrophobicContact CD1-CD2 4.47Å; L1047-L1076 HydrophobicContact CD2-CB 4.25Å; Y1049-L1076 HydrophobicContact CD1-CD2 4.09Å; Y1049-L1076 HydrophobicContact CG-CD2 4.38Å; L1076-L1135 HydrophobicContact CD2-CD1 3.87Å |
| 1077 | K | 70.2 | Confident | 66.4 | Low | 51 Ų | 51 | 95.3 Ų | 95.3 | 22% | 0.222 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 123.3 | 176.8 | -66.3 | -61.9 | -177.3 | -175.2 | 0 | 109.7 | M1048 C1079 P1090 | M1048-K1077 PolarHBondContact N-O 2.89Å; M1048-K1077 PolarHBondContact O-N 3.12Å; K1077-C1079 PolarHBondContact O-N 3.06Å; K1077-P1090 HydrophobicContact CB-CB 4.22Å; K1077-P1090 HydrophobicContact CB-CG 4.2Å; K1077-P1090 VanDerWaalsContact CB-O 3.29Å; K1077-P1090 WeakPolarHBondContact CB-O 3.34Å; K1077-P1090 HydrophobicContact CD-CB 4.44Å; K1077-P1090 HydrophobicContact CG-CB 4.23Å |
| 1078 | I | 81.9 | Confident | 69 | Low | 98 Ų | 98 | 90.4 Ų | 90.4 | 50% | 0.503 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 126.2 | 172.4 | -80.6 | 174.3 | 0 | 0 | 0 | 108.9 | L1047 P1090 | L1047-I1078 HydrophobicContact CD2-CB 4.38Å; L1047-I1078 HydrophobicContact CD2-CD1 4.49Å; L1047-I1078 HydrophobicContact CD2-CG1 3.42Å; L1047-I1078 VanDerWaalsContact CD2-CG1 3.42Å; I1078-P1090 WeakPolarHBondContact O-CD 3.41Å |
| 1079 | C | 88.4 | Confident | 71.6 | Confident | 5 Ų | 5 | 83.7 Ų | 83.7 | 3% | 0.034 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -85 | 138.7 | 168.7 | -66.2 | 0 | 0 | 0 | 0 | 109.9 | P1046 K1077 M1087 Q1088 C1089 | P1046-C1079 HydrophobicContact CB-CB 4.22Å; P1046-C1079 HydrophobicContact CG-CB 4.02Å; P1046-C1079 PolarHBondContact O-N 2.93Å; K1077-C1079 PolarHBondContact O-N 3.06Å; C1079-M1087 HydrophobicContact CB-CG 4.38Å; C1079-M1087 HydrophobicContact CB-SD 3.71Å; C1079-Q1088 CarbonylContact C-O 3.55Å; C1079-Q1088 WeakPolarHBondContact CA-O 3.44Å; C1079-C1089 HydrophobicContact CB-CB 4.16Å; C1079-C1089 WeakPolarHBondContact CB-SG 3.28Å; C1079-C1089 WeakPolarHBondContact SG-CB 3.19Å; C1079-C1089 CovalentContact SG-SG 2.04Å; C1079-C1089 PolarHBondContact SG-SG 3.09Å |
| 1080 | R | 90.6 | Very high | 73.9 | Confident | 189 Ų | 189 | 78.2 Ų | 78.2 | 71% | 0.713 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 108.5 | 172.2 | -173.5 | 179.3 | -179.9 | 174.3 | 1 | 109.2 | I1082 M1087 Q1088 | R1080-I1082 PolarHBondContact O-N 2.71Å; R1080-M1087 CarbonylContact O-C 3.6Å; R1080-M1087 VanDerWaalsContact O-CA 3.28Å; R1080-M1087 WeakPolarHBondContact O-CA 3.25Å; R1080-M1087 WeakPolarHBondContact O-CB 3.13Å; R1080-Q1088 PolarHBondContact N-O 3.15Å; R1080-Q1088 PolarHBondContact O-N 3.16Å |
| 1081 | V | 89.6 | Confident | 76.1 | Confident | 43 Ų | 43 | 71.2 Ų | 71.2 | 26% | 0.261 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 126.8 | 173.1 | -174.7 | 0 | 0 | 0 | 0 | 109.1 | L1040 D1041 P1046 N1083 M1087 | L1040-V1081 HydrophobicContact CB-CG1 4.11Å; L1040-V1081 WeakPolarHBondContact O-CG2 3.37Å; D1041-V1081 HydrophobicContact CB-CG1 4.46Å; P1046-V1081 HydrophobicContact CG-CG2 3.52Å; V1081-N1083 WeakPolarHBondContact CG1-O 3.5Å; V1081-M1087 HydrophobicContact CG2-CB 4.41Å |
| 1082 | I | 89.4 | Confident | 78.1 | Confident | 84 Ų | 84 | 63.3 Ų | 63.3 | 43% | 0.431 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -46 | 178.3 | -61.8 | -179.2 | 0 | 0 | 0 | 109.9 | R1080 K1086 Q1088 | R1080-I1082 PolarHBondContact O-N 2.71Å; I1082-K1086 WeakPolarHBondContact CA-O 3.45Å; I1082-K1086 WeakPolarHBondContact CB-O 3.04Å; I1082-K1086 HydrophobicContact CD1-CD 4.28Å; I1082-K1086 HydrophobicContact CD1-CG 4.38Å; I1082-K1086 PolarHBondContact N-O 2.71Å; I1082-Q1088 HydrophobicContact CD1-CG 3.88Å |
| 1083 | N | 90 | Very high | 79.8 | Confident | 80 Ų | 80 | 57.2 Ų | 57.2 | 43% | 0.428 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | -174.4 | 177.6 | 62.7 | 20.5 | 0 | 0 | 0 | 109.3 | V1081 E1085 K1086 | V1081-N1083 WeakPolarHBondContact CG1-O 3.5Å; N1083-E1085 PolarHBondContact O-N 2.65Å; N1083-E1085 VanDerWaalsContact O-N 3.07Å; N1083-E1085 PolarHBondContact OD1-N 3.42Å; N1083-K1086 PolarHBondContact N-O 3.24Å; N1083-K1086 PolarHBondContact O-N 3.49Å; N1083-K1086 WeakPolarHBondContact OD1-CB 3.34Å; N1083-K1086 PolarHBondContact OD1-N 2.83Å |
| 1084 | N | 89.9 | Confident | 80.9 | Confident | 68 Ų | 68 | 51.5 Ų | 51.5 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -25.1 | -179.5 | 101.5 | 46.4 | 0 | 0 | 0 | 113.8 | R1038 Y1039 L1040 D1041 | R1038-N1084 CarbonylContact C-O 3.4Å; R1038-N1084 WeakPolarHBondContact CA-O 3.47Å; Y1039-N1084 PolarHBondContact N-O 3.14Å; L1040-N1084 WeakPolarHBondContact CG-O 3.47Å; L1040-N1084 PolarHBondContact N-O 2.78Å; D1041-N1084 VanDerWaalsContact OD1-CB 3.3Å; D1041-N1084 WeakPolarHBondContact OD1-CB 3.21Å |
| 1085 | E | 91.2 | Very high | 81.4 | Confident | 117 Ų | 117 | 53.6 Ų | 53.6 | 55% | 0.547 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -15.3 | -171.5 | -60.4 | -171.9 | 163.3 | 0 | 0 | 114.4 | R1036 G1037 N1083 | R1036-E1085 CarbonylContact C-O 3.55Å; R1036-E1085 VanDerWaalsContact CA-O 3.23Å; R1036-E1085 WeakPolarHBondContact CA-O 3.49Å; G1037-E1085 PolarHBondContact N-O 3.48Å; G1037-E1085 VanDerWaalsContact O-CA 3.32Å; G1037-E1085 WeakPolarHBondContact O-CA 3.47Å; N1083-E1085 PolarHBondContact O-N 2.65Å; N1083-E1085 VanDerWaalsContact O-N 3.07Å; N1083-E1085 PolarHBondContact OD1-N 3.42Å |
| 1086 | K | 91.1 | Very high | 81.1 | Confident | 71 Ų | 71 | 56.4 Ų | 56.4 | 31% | 0.309 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 133.4 | -169.1 | -166.6 | -179.2 | -179 | -176.4 | 0 | 112.4 | T1034 V1035 I1082 N1083 | T1034-K1086 HydrophobicContact CG2-CD 4.44Å; T1034-K1086 VanDerWaalsContact CG2-CE 3.47Å; T1034-K1086 HydrophobicContact CG2-CG 4.26Å; V1035-K1086 WeakPolarHBondContact O-CA 2.95Å; I1082-K1086 WeakPolarHBondContact CA-O 3.45Å; I1082-K1086 WeakPolarHBondContact CB-O 3.04Å; I1082-K1086 HydrophobicContact CD1-CD 4.28Å; I1082-K1086 HydrophobicContact CD1-CG 4.38Å; I1082-K1086 PolarHBondContact N-O 2.71Å; N1083-K1086 PolarHBondContact N-O 3.24Å; N1083-K1086 PolarHBondContact O-N 3.49Å; N1083-K1086 WeakPolarHBondContact OD1-CB 3.34Å; N1083-K1086 PolarHBondContact OD1-N 2.83Å |
| 1087 | M | 93.4 | Very high | 79.9 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 156.3 | 167.8 | 69.5 | 179.2 | 176.9 | 0 | 0 | 111.7 | I1017 V1035 L1040 P1046 C1079 R1080 V1081 F1134 M1136 | I1017-M1087 HydrophobicContact CD1-CE 3.43Å; I1017-M1087 VanDerWaalsContact CD1-CE 3.43Å; V1035-M1087 HydrophobicContact CB-CE 3.71Å; V1035-M1087 HydrophobicContact CB-CG 3.71Å; V1035-M1087 HydrophobicContact CG1-CE 3.42Å; V1035-M1087 VanDerWaalsContact CG1-CE 3.42Å; V1035-M1087 HydrophobicContact CG1-CG 4.27Å; V1035-M1087 HydrophobicContact CG2-CE 4.09Å; V1035-M1087 HydrophobicContact CG2-CG 4.41Å; V1035-M1087 PolarHBondContact N-O 3.03Å; V1035-M1087 PolarHBondContact O-N 3.36Å; L1040-M1087 HydrophobicContact CD1-CB 4.21Å; L1040-M1087 HydrophobicContact CD1-CG 4.03Å; L1040-M1087 HydrophobicContact CD1-SD 4.46Å; P1046-M1087 HydrophobicContact CB-SD 4.25Å; P1046-M1087 HydrophobicContact CG-SD 4.24Å; C1079-M1087 HydrophobicContact CB-CG 4.38Å; C1079-M1087 HydrophobicContact CB-SD 3.71Å; R1080-M1087 CarbonylContact O-C 3.6Å; R1080-M1087 VanDerWaalsContact O-CA 3.28Å; R1080-M1087 WeakPolarHBondContact O-CA 3.25Å; R1080-M1087 WeakPolarHBondContact O-CB 3.13Å; V1081-M1087 HydrophobicContact CG2-CB 4.41Å; M1087-F1134 HydrophobicContact CE-CD1 3.68Å; M1087-F1134 HydrophobicContact CE-CE1 3.29Å; M1087-F1134 HydrophobicContact CE-CE2 4.49Å; M1087-F1134 HydrophobicContact CE-CG 4.42Å; M1087-F1134 HydrophobicContact CE-CZ 3.76Å; M1087-M1136 HydrophobicContact CE-CE 3.5Å; M1087-M1136 VanDerWaalsContact CE-CE 3.5Å; M1087-M1136 HydrophobicContact SD-CE 3.92Å |
| 1088 | Q | 91.7 | Very high | 78 | Confident | 62 Ų | 62 | 63.1 Ų | 63.1 | 29% | 0.29 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 126.1 | 174.8 | -79.5 | 177.7 | -15.5 | 0 | 0 | 110.2 | L1032 L1033 C1079 R1080 I1082 | L1032-Q1088 HydrophobicContact CD2-CG 4.43Å; L1033-Q1088 WeakPolarHBondContact O-CA 3.4Å; C1079-Q1088 CarbonylContact C-O 3.55Å; C1079-Q1088 WeakPolarHBondContact CA-O 3.44Å; R1080-Q1088 PolarHBondContact N-O 3.15Å; R1080-Q1088 PolarHBondContact O-N 3.16Å; I1082-Q1088 HydrophobicContact CD1-CG 3.88Å |
| 1089 | C | 90.2 | Very high | 75.4 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 124.8 | -176.8 | -59.3 | 0 | 0 | 0 | 0 | 110.1 | L1033 V1035 M1048 C1079 | L1033-C1089 WeakPolarHBondContact CA-O 3.21Å; L1033-C1089 VanDerWaalsContact CB-O 3.25Å; L1033-C1089 WeakPolarHBondContact CB-O 3.48Å; L1033-C1089 PolarHBondContact N-O 3.21Å; L1033-C1089 PolarHBondContact O-N 3.39Å; V1035-C1089 HydrophobicContact CG2-CB 4.16Å; M1048-C1089 HydrophobicContact SD-CB 3.91Å; C1079-C1089 HydrophobicContact CB-CB 4.16Å; C1079-C1089 WeakPolarHBondContact CB-SG 3.28Å; C1079-C1089 WeakPolarHBondContact SG-CB 3.19Å; C1079-C1089 CovalentContact SG-SG 2.04Å; C1079-C1089 PolarHBondContact SG-SG 3.09Å |
| 1090 | P | 88.3 | Confident | 72.6 | Confident | 37 Ų | 37 | 74.3 Ų | 74.3 | 24% | 0.24 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 136.1 | 167.7 | -7.2 | 20.7 | 0 | 0 | 0 | 110.1 | R1031 K1077 I1078 | R1031-P1090 CarbonylContact O-C 3.58Å; R1031-P1090 WeakPolarHBondContact O-CA 3.37Å; K1077-P1090 HydrophobicContact CB-CB 4.22Å; K1077-P1090 HydrophobicContact CB-CG 4.2Å; K1077-P1090 VanDerWaalsContact CB-O 3.29Å; K1077-P1090 WeakPolarHBondContact CB-O 3.34Å; K1077-P1090 HydrophobicContact CD-CB 4.44Å; K1077-P1090 HydrophobicContact CG-CB 4.23Å; I1078-P1090 WeakPolarHBondContact O-CD 3.41Å |
| 1091 | S | 85.3 | Confident | 69.6 | Low | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 136.3 | 175.4 | 64.3 | 0 | 0 | 0 | 0 | 111.5 | G1029 G1030 R1031 | G1029-S1091 WeakPolarHBondContact CA-OG 3.34Å; G1030-S1091 PolarHBondContact N-O 2.97Å; G1030-S1091 PolarHBondContact N-OG 2.99Å; R1031-S1091 PolarHBondContact N-OG 2.84Å; R1031-S1091 PolarHBondContact O-N 2.53Å |
| 1092 | P | 80.7 | Confident | 66.8 | Low | 3 Ų | 3 | 77.8 Ų | 77.8 | 2% | 0.019 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 150.8 | 174.6 | -21.9 | 34.1 | 0 | 0 | 0 | 112.8 | M1048 L1050 | M1048-P1092 HydrophobicContact CG-CG 4.36Å; L1050-P1092 HydrophobicContact CD1-CB 4.07Å; L1050-P1092 HydrophobicContact CG-CB 4.09Å; L1050-P1092 HydrophobicContact CG-CG 4.09Å |
| 1093 | A | 74.2 | Confident | 63.9 | Low | 23 Ų | 23 | 83.6 Ų | 83.6 | 19% | 0.19 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -90.7 | 138.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S1028 | S1028-A1093 WeakPolarHBondContact O-CB 3.25Š|
| 1094 | L | 67.5 | Low | 61.1 | Low | 13 Ų | 13 | 86.6 Ų | 86.6 | 7% | 0.068 | 44% | 0.441 | C | S | . | . | trans | -92.2 | 111.4 | 173.8 | -67 | -178.8 | 0 | 0 | 0 | 110.5 | R1027 L1050 Q1058 Y1130 I1153 | R1027-L1094 HydrophobicContact CG-CB 3.91Å; R1027-L1094 HydrophobicContact CG-CD1 4.27Å; R1027-L1094 PolarHBondContact O-N 2.9Å; L1050-L1094 HydrophobicContact CD1-CD2 3.58Å; L1050-L1094 HydrophobicContact CD1-CG 4.19Å; Q1058-L1094 VanDerWaalsContact NE2-CD2 3.3Å; L1094-Y1130 HydrophobicContact CD1-CD2 4.4Å; L1094-Y1130 HydrophobicContact CD1-CE1 4.44Å; L1094-Y1130 HydrophobicContact CD1-CE2 3.56Å; L1094-Y1130 WeakPolarHBondContact CD1-OH 3.17Å; L1094-Y1130 HydrophobicContact CD2-CD1 4.42Å; L1094-Y1130 HydrophobicContact CD2-CE1 3.94Å; L1094-Y1130 HydrophobicContact CD2-CE2 4.31Å; L1094-I1153 HydrophobicContact CD1-CB 3.88Å; L1094-I1153 HydrophobicContact CD1-CD1 4.13Å; L1094-I1153 HydrophobicContact CD1-CG1 3.83Å; L1094-I1153 HydrophobicContact CD1-CG2 3.49Å; L1094-I1153 VanDerWaalsContact CD1-CG2 3.49Å; L1094-I1153 HydrophobicContact CG-CD1 4.11Å; L1094-I1153 HydrophobicContact CG-CG1 4.27Å; L1094-I1153 HydrophobicContact CG-CG2 4.36Å | ||
| 1095 | I | 54.7 | Low | 58.2 | Low | 105 Ų | 105 | 92.8 Ų | 92.8 | 54% | 0.538 | 47% | 0.468 | S | S | . | . | trans | -98.6 | 116.9 | 171.4 | -55.2 | -176 | 0 | 0 | 0 | 109.1 | F1075 | F1075-I1095 HydrophobicContact CE1-CB 4.02Å; F1075-I1095 HydrophobicContact CE1-CD1 3.55Å; F1075-I1095 HydrophobicContact CE1-CG1 3.76Å; F1075-I1095 HydrophobicContact CZ-CD1 3.71Å; F1075-I1095 HydrophobicContact CZ-CG1 4.38Å | ||
| 1096 | F | 45 | Very low | 55.4 | Low | 107 Ų | 107 | 92.1 Ų | 92.1 | 47% | 0.469 | 48% | 0.476 | S | S | . | . | trans | -81.8 | 125.7 | 163.5 | -78.3 | -89.3 | 0 | 0 | 0 | 108.5 | V1098 | F1096-V1098 VanDerWaalsContact C-N 3.26Å; F1096-V1098 PolarHBondContact O-N 2.89Å | ||
| 1097 | S | 34 | Very low | 52.6 | Low | 107 Ų | 107 | 93.5 Ų | 93.5 | 75% | 0.748 | 50% | 0.501 | S | S | * | . | trans | -65.9 | 89.8 | 166.9 | 60 | 0 | 0 | 0 | 0 | 108.5 | S1099 | S1097-S1099 PolarHBondContact O-N 2.84Å; S1097-S1099 VanDerWaalsContact O-N 3.1Å | ||
| 1098 | V | 31.3 | Very low | 49.6 | Very low | 113 Ų | 113 | 99.5 Ų | 99.5 | 69% | 0.685 | 54% | 0.54 | S | S | * | . | trans | -67.3 | 107.3 | 155.8 | 178.8 | 0 | 0 | 0 | 0 | 104.9 | F1096 R1100 | F1096-V1098 VanDerWaalsContact C-N 3.26Å; F1096-V1098 PolarHBondContact O-N 2.89Å; V1098-R1100 HydrophobicContact CG1-CB 4.38Å; V1098-R1100 HydrophobicContact CG1-CG 4.12Å; V1098-R1100 PolarHBondContact O-N 3.04Å | ||
| 1099 | S | 27.4 | Very low | 46.8 | Very low | 119 Ų | 119 | 101 Ų | 101 | 83% | 0.832 | 56% | 0.563 | S | S | * | * | trans | -64.3 | 71.6 | 166.7 | 59.9 | 0 | 0 | 0 | 0 | 109.1 | S1097 | S1097-S1099 PolarHBondContact O-N 2.84Å; S1097-S1099 VanDerWaalsContact O-N 3.1Å | ||
| 1100 | R | 28.6 | Very low | 44 | Very low | 219 Ų | 219 | 111.5 Ų | 111.5 | 83% | 0.826 | 60% | 0.604 | S | S | * | * | trans | -93.6 | 101.2 | 157.5 | -95.1 | -176.7 | 173.3 | 179.6 | -1.1 | 106.1 | V1098 K1102 | V1098-R1100 HydrophobicContact CG1-CB 4.38Å; V1098-R1100 HydrophobicContact CG1-CG 4.12Å; V1098-R1100 PolarHBondContact O-N 3.04Å; R1100-K1102 PolarHBondContact O-N 3.1Å | ||
| 1101 | S | 28.5 | Very low | 41.3 | Very low | 100 Ų | 100 | 115.7 Ų | 115.7 | 70% | 0.699 | 63% | 0.625 | S | S | * | * | trans | -37 | 99.4 | 159.9 | 169.3 | 0 | 0 | 0 | 0 | 110 | R1103 | S1101-R1103 PolarHBondContact O-N 2.89Å; S1101-R1103 VanDerWaalsContact O-N 3.11Å; S1101-R1103 PolarHBondContact OG-N 3.03Å | ||
| 1102 | K | 30.2 | Very low | 38.7 | Very low | 205 Ų | 205 | 119.8 Ų | 119.8 | 89% | 0.891 | 65% | 0.653 | S | S | * | * | trans | -75.9 | 79.4 | 153.1 | -85.5 | -170.4 | 171.8 | -168.7 | 0 | 106.5 | R1100 | R1100-K1102 PolarHBondContact O-N 3.1Š| ||
| 1103 | R | 29.4 | Very low | 36.2 | Very low | 207 Ų | 207 | 124.5 Ų | 124.5 | 78% | 0.781 | 69% | 0.686 | S | S | * | * | trans | -114.3 | 128.8 | 152 | -90.5 | -173 | -173.6 | 170.5 | 2.2 | 105.9 | S1101 | S1101-R1103 PolarHBondContact O-N 2.89Å; S1101-R1103 VanDerWaalsContact O-N 3.11Å; S1101-R1103 PolarHBondContact OG-N 3.03Å | ||
| 1104 | D | 30.7 | Very low | 34.2 | Very low | 143 Ų | 143 | 131.5 Ų | 131.5 | 77% | 0.765 | 72% | 0.72 | S | S | * | * | trans | 78.7 | 79.7 | 160.2 | -50.5 | -26.2 | 0 | 0 | 0 | 117 | S1106 | D1104-S1106 PolarHBondContact O-N 3.3Š| ||
| 1105 | E | 29.7 | Very low | 32.5 | Very low | 197 Ų | 197 | 133.7 Ų | 133.7 | 92% | 0.921 | 75% | 0.746 | S | S | * | * | trans | -87.1 | 80 | 155.1 | -127.3 | 175 | 172.7 | 0 | 0 | 108.2 | ||||
| 1106 | S | 32 | Very low | 31.3 | Very low | 104 Ų | 104 | 140.7 Ų | 140.7 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -171.2 | 82.4 | 163.8 | 47.2 | 0 | 0 | 0 | 0 | 112.9 | D1104 | D1104-S1106 PolarHBondContact O-N 3.3Š| ||
| 1107 | A | 31 | Very low | 30.5 | Very low | 100 Ų | 100 | 140.3 Ų | 140.3 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | trans | -179.7 | 146.2 | 141.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1108 | P | 32.2 | Very low | 30.3 | Very low | 126 Ų | 126 | 142.3 Ų | 142.3 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -94.9 | 158.1 | -163.1 | 37.3 | -33.1 | 0 | 0 | 0 | 115.1 | ||||
| 1109 | A | 32.1 | Very low | 30.3 | Very low | 94 Ų | 94 | 148.3 Ų | 148.3 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | trans | -16.1 | 130.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1110 | Y | 32.3 | Very low | 30.4 | Very low | 219 Ų | 219 | 149.2 Ų | 149.2 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | trans | -159.2 | 116.3 | 133.8 | -135.4 | -100.5 | 0 | 0 | 0 | 112.2 | ||||
| 1111 | D | 30.1 | Very low | 30.6 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 67% | 0.674 | 79% | 0.785 | S | S | * | * | trans | 51 | 126.3 | 140.4 | -121.3 | -19.1 | 0 | 0 | 0 | 125.5 | ||||
| 1112 | S | 30.2 | Very low | 30.7 | Very low | 86 Ų | 86 | 144.6 Ų | 144.6 | 60% | 0.601 | 78% | 0.778 | S | S | * | * | trans | 39.2 | 131.6 | 143.1 | 45 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 1113 | S | 29.9 | Very low | 31 | Very low | 101 Ų | 101 | 145.6 Ų | 145.6 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | 60.6 | 98.9 | 141.4 | 63.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1114 | D | 30.6 | Very low | 31.3 | Very low | 171 Ų | 171 | 140 Ų | 140 | 91% | 0.914 | 76% | 0.761 | S | S | * | * | -165.5 | 141.6 | 120.9 | -98.8 | -27.2 | 0 | 0 | 0 | 110.8 | |||||
| 1115 | G | 33.4 | Very low | 31.8 | Very low | 59 Ų | 59 | 138.5 Ų | 138.5 | 61% | 0.608 | 76% | 0.757 | S | S | * | * | trans | -76 | -175.4 | -167.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1116 | W | 28.6 | Very low | 32.8 | Very low | 251 Ų | 251 | 134.4 Ų | 134.4 | 95% | 0.951 | 74% | 0.742 | S | S | * | * | trans | 88.9 | 144.9 | 171.5 | -56.3 | 85.1 | 0 | 0 | 0 | 116.8 | ||||
| 1117 | P | 29.6 | Very low | 34 | Very low | 100 Ų | 100 | 133 Ų | 133 | 65% | 0.649 | 73% | 0.732 | S | S | * | * | cis | -130 | 155.2 | -33.4 | 28.6 | -9.3 | 0 | 0 | 0 | 113.3 | R1119 | P1117-R1119 PolarHBondContact O-N 3.36Š| ||
| 1118 | T | 28.6 | Very low | 35.6 | Very low | 148 Ų | 148 | 131.3 Ų | 131.3 | 91% | 0.908 | 71% | 0.707 | S | S | * | * | trans | -49.6 | 117.5 | 166.2 | 41.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1119 | R | 31.1 | Very low | 37.5 | Very low | 240 Ų | 240 | 131.8 Ų | 131.8 | 91% | 0.906 | 69% | 0.692 | S | S | * | * | trans | -123.7 | 96.1 | 173.9 | -131.2 | 179.3 | -178.7 | -178.9 | 0.8 | 109.7 | P1117 | P1117-R1119 PolarHBondContact O-N 3.36Š| ||
| 1120 | D | 30.1 | Very low | 39.4 | Very low | 138 Ų | 138 | 128.5 Ų | 128.5 | 74% | 0.738 | 66% | 0.66 | S | S | * | * | trans | 33.8 | 90.4 | 156.8 | -84.8 | -42.7 | 0 | 0 | 0 | 118.7 | S1122 | D1120-S1122 VanDerWaalsContact C-N 3.31Å; D1120-S1122 PolarHBondContact OD1-OG 2.84Å | ||
| 1121 | D | 31.6 | Very low | 41.4 | Very low | 142 Ų | 142 | 119.3 Ų | 119.3 | 76% | 0.759 | 63% | 0.626 | S | S | * | * | trans | -96.6 | 18.8 | 159.7 | -134.1 | -6.9 | 0 | 0 | 0 | 111.7 | R1123 L1124 | D1121-R1123 VanDerWaalsContact C-N 3.3Å; D1121-R1123 PolarHBondContact O-N 2.8Å; D1121-L1124 WeakPolarHBondContact OD1-CD1 3.34Å | ||
| 1122 | S | 32 | Very low | 43.8 | Very low | 80 Ų | 80 | 113.4 Ų | 113.4 | 56% | 0.559 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 6.5 | -166.8 | 52.8 | 0 | 0 | 0 | 0 | 115.6 | D1120 | D1120-S1122 VanDerWaalsContact C-N 3.31Å; D1120-S1122 PolarHBondContact OD1-OG 2.84Å |
| 1123 | R | 35 | Very low | 46.3 | Very low | 225 Ų | 225 | 109.3 Ų | 109.3 | 85% | 0.849 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | 7.3 | -177.6 | -77.5 | -173 | 175.5 | 172.5 | 0.6 | 115.8 | D1121 | D1121-R1123 VanDerWaalsContact C-N 3.3Å; D1121-R1123 PolarHBondContact O-N 2.8Å |
| 1124 | L | 36.2 | Very low | 49.1 | Very low | 90 Ų | 90 | 104.5 Ų | 104.5 | 47% | 0.471 | 53% | 0.532 | S | S | . | . | trans | -106.4 | 27 | -168 | -91.5 | 138.6 | 0 | 0 | 0 | 115.5 | D1121 | D1121-L1124 WeakPolarHBondContact OD1-CD1 3.34Š| ||
| 1125 | T | 41.6 | Very low | 51.7 | Low | 111 Ų | 111 | 98.4 Ų | 98.4 | 68% | 0.681 | 50% | 0.499 | S | S | * | . | trans | -91.4 | -9.2 | -178.1 | 49.4 | 0 | 0 | 0 | 0 | 115.6 | S1127 | T1125-S1127 PolarHBondContact O-N 2.99Š| ||
| 1126 | N | 50.5 | Low | 54.4 | Low | 112 Ų | 112 | 95.7 Ų | 95.7 | 60% | 0.599 | 47% | 0.471 | S | S | * | . | trans | -78.5 | 114.7 | -167.3 | -84.5 | -12.3 | 0 | 0 | 0 | 113.7 | Q1128 | N1126-Q1128 PolarHBondContact O-N 3.45Š| ||
| 1127 | S | 58.1 | Low | 57.3 | Low | 74 Ų | 74 | 85.6 Ų | 85.6 | 52% | 0.517 | 44% | 0.435 | S | S | . | . | trans | -51.8 | 129 | 152.5 | 61 | 0 | 0 | 0 | 0 | 109 | T1125 I1153 | T1125-S1127 PolarHBondContact O-N 2.99Å; S1127-I1153 WeakPolarHBondContact CA-O 3.39Å | ||
| 1128 | Q | 63.7 | Low | 60.1 | Low | 65 Ų | 65 | 84.3 Ų | 84.3 | 30% | 0.304 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 127.7 | -176.8 | -110.8 | 172.3 | -16.8 | 0 | 0 | 110.5 | N1126 Y1130 I1153 | N1126-Q1128 PolarHBondContact O-N 3.45Å; Q1128-Y1130 HydrophobicContact CB-CD2 4.24Å; Q1128-Y1130 HydrophobicContact CB-CE2 3.62Å; Q1128-Y1130 VanDerWaalsContact O-CD2 3.26Å; Q1128-Y1130 WeakPolarHBondContact O-CD2 3.18Å; Q1128-Y1130 PolarHBondContact OE1-OH 3.16Å; Q1128-I1153 PolarHBondContact N-O 3.06Å; Q1128-I1153 PolarHBondContact O-N 3.43Å |
| 1129 | R | 72.7 | Confident | 63 | Low | 135 Ų | 135 | 77.3 Ų | 77.3 | 51% | 0.509 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 126.2 | 171.4 | -167.1 | 172.2 | 179.7 | 147.2 | -1.4 | 108.7 | P1147 | R1129-P1147 PolarHBondContact NH2-O 3.36Å |
| 1130 | Y | 71.5 | Confident | 65.5 | Low | 26 Ų | 26 | 71.1 Ų | 71.1 | 10% | 0.102 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 139.1 | 177.1 | -75.1 | -95.3 | 0 | 0 | 0 | 109.7 | L1094 Q1128 F1151 I1153 | L1094-Y1130 HydrophobicContact CD1-CD2 4.4Å; L1094-Y1130 HydrophobicContact CD1-CE1 4.44Å; L1094-Y1130 HydrophobicContact CD1-CE2 3.56Å; L1094-Y1130 WeakPolarHBondContact CD1-OH 3.17Å; L1094-Y1130 HydrophobicContact CD2-CD1 4.42Å; L1094-Y1130 HydrophobicContact CD2-CE1 3.94Å; L1094-Y1130 HydrophobicContact CD2-CE2 4.31Å; Q1128-Y1130 HydrophobicContact CB-CD2 4.24Å; Q1128-Y1130 HydrophobicContact CB-CE2 3.62Å; Q1128-Y1130 VanDerWaalsContact O-CD2 3.26Å; Q1128-Y1130 WeakPolarHBondContact O-CD2 3.18Å; Q1128-Y1130 PolarHBondContact OE1-OH 3.16Å; Y1130-F1151 PolarHBondContact N-O 3.36Å; Y1130-F1151 PolarHBondContact O-N 3.41Å; Y1130-I1153 HydrophobicContact CD2-CB 3.89Å; Y1130-I1153 HydrophobicContact CD2-CG1 3.55Å; Y1130-I1153 HydrophobicContact CE2-CB 3.86Å; Y1130-I1153 HydrophobicContact CE2-CG1 3.89Å; Y1130-I1153 HydrophobicContact CG-CG1 4.44Å |
| 1131 | D | 74.5 | Confident | 67.9 | Low | 26 Ų | 26 | 68.5 Ų | 68.5 | 14% | 0.139 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 148.4 | 165.5 | -58.7 | -61 | 0 | 0 | 0 | 109.8 | A317 L1051 P1147 | A317-D1131 VanDerWaalsContact CB-CG 3.44Å; A317-D1131 WeakPolarHBondContact CB-OD1 3.27Å; A317-D1131 VanDerWaalsContact CB-OD2 3.23Å; A317-D1131 WeakPolarHBondContact CB-OD2 3.49Å; L1051-D1131 HydrophobicContact CB-CB 3.99Å; L1051-D1131 HydrophobicContact CD1-CB 3.94Å; L1051-D1131 PolarHBondContact N-O 3.22Å; D1131-P1147 WeakPolarHBondContact OD1-CB 3.4Å |
| 1132 | L | 80.9 | Confident | 70.5 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 151.5 | -176.4 | 52.3 | 86.2 | 0 | 0 | 0 | 110.3 | I1020 M1048 Y1049 F1134 L1145 L1149 F1151 | I1020-L1132 HydrophobicContact CD1-CD1 3.37Å; I1020-L1132 HydrophobicContact CD1-CD2 3.74Å; I1020-L1132 HydrophobicContact CD1-CG 4.2Å; M1048-L1132 HydrophobicContact CE-CB 4.37Å; M1048-L1132 HydrophobicContact CE-CD2 4.05Å; Y1049-L1132 WeakPolarHBondContact O-CA 3.47Å; L1132-F1134 HydrophobicContact CD1-CE2 4.15Å; L1132-L1145 HydrophobicContact CD1-CB 4.01Å; L1132-L1145 HydrophobicContact CD1-CD1 3.37Å; L1132-L1145 HydrophobicContact CD1-CG 4.31Å; L1132-L1145 WeakPolarHBondContact O-CB 3.3Å; L1132-L1145 PolarHBondContact O-N 3.2Å; L1132-L1149 VanDerWaalsContact CD2-O 3.23Å; L1132-L1149 WeakPolarHBondContact CD2-O 3.31Å; L1132-F1151 HydrophobicContact CD2-CB 3.88Å |
| 1133 | G | 83.3 | Confident | 72.9 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 155.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y1049 R1143 | Y1049-G1133 WeakPolarHBondContact CD1-O 3.04Å; Y1049-G1133 VanDerWaalsContact CE1-C 3.46Å; Y1049-G1133 PolarHBondContact N-O 3.05Å; Y1049-G1133 PolarHBondContact O-N 2.85Å; Y1049-G1133 VanDerWaalsContact O-N 3.1Å; G1133-R1143 VanDerWaalsContact CA-O 3.23Å; G1133-R1143 WeakPolarHBondContact CA-O 3.38Å |
| 1134 | F | 88 | Confident | 74.8 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 130.4 | 167.7 | -64 | -91.6 | 0 | 0 | 0 | 109.9 | I1017 I1020 V1035 L1047 M1048 M1087 L1132 M1136 L1142 L1145 | I1017-F1134 HydrophobicContact CD1-CD2 3.92Å; I1017-F1134 HydrophobicContact CD1-CE2 3.82Å; I1017-F1134 HydrophobicContact CD1-CG 4.38Å; I1017-F1134 HydrophobicContact CD1-CZ 4.19Å; I1017-F1134 HydrophobicContact CG1-CD2 3.98Å; I1017-F1134 HydrophobicContact CG1-CE2 4.1Å; I1017-F1134 HydrophobicContact CG2-CE2 4.32Å; I1020-F1134 HydrophobicContact CD1-CE2 4.08Å; I1020-F1134 HydrophobicContact CD1-CZ 4.17Å; V1035-F1134 HydrophobicContact CG1-CZ 4.13Å; V1035-F1134 HydrophobicContact CG2-CZ 4.09Å; L1047-F1134 CarbonylContact O-C 3.58Å; L1047-F1134 VanDerWaalsContact O-CA 3.23Å; L1047-F1134 WeakPolarHBondContact O-CA 3.41Å; M1048-F1134 HydrophobicContact CB-CD1 4.06Å; M1048-F1134 HydrophobicContact CB-CE1 3.76Å; M1048-F1134 HydrophobicContact CG-CD1 4.41Å; M1048-F1134 HydrophobicContact CG-CE1 3.84Å; M1048-F1134 HydrophobicContact CG-CZ 4.14Å; M1048-F1134 HydrophobicContact SD-CE1 4.3Å; M1048-F1134 HydrophobicContact SD-CZ 4.31Å; M1087-F1134 HydrophobicContact CE-CD1 3.68Å; M1087-F1134 HydrophobicContact CE-CE1 3.29Å; M1087-F1134 HydrophobicContact CE-CE2 4.49Å; M1087-F1134 HydrophobicContact CE-CG 4.42Å; M1087-F1134 HydrophobicContact CE-CZ 3.76Å; L1132-F1134 HydrophobicContact CD1-CE2 4.15Å; F1134-M1136 HydrophobicContact CB-CE 3.73Å; F1134-M1136 HydrophobicContact CB-CG 3.92Å; F1134-M1136 HydrophobicContact CB-SD 4.47Å; F1134-M1136 HydrophobicContact CD1-CE 3.87Å; F1134-M1136 HydrophobicContact CG-CE 3.82Å; F1134-M1136 PolarHBondContact O-N 2.97Å; F1134-L1142 HydrophobicContact CB-CB 4.43Å; F1134-L1142 PolarHBondContact N-O 3.02Å; F1134-L1142 CarbonylContact O-C 3.51Å; F1134-L1145 HydrophobicContact CD2-CD1 3.34Å; F1134-L1145 HydrophobicContact CD2-CG 4.36Å; F1134-L1145 HydrophobicContact CE2-CD1 3.33Å |
| 1135 | L | 85.3 | Confident | 76.4 | Confident | 42 Ų | 42 | 52.6 Ų | 52.6 | 22% | 0.22 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 105.2 | 165.7 | -89 | 156.8 | 0 | 0 | 0 | 107 | L1047 Y1049 I1057 L1076 | L1047-L1135 HydrophobicContact CB-CB 4.09Å; L1047-L1135 HydrophobicContact CD1-CB 4.44Å; L1047-L1135 PolarHBondContact N-O 2.93Å; L1047-L1135 VanDerWaalsContact N-O 3.1Å; L1047-L1135 PolarHBondContact O-N 3.09Å; Y1049-L1135 HydrophobicContact CD1-CD1 4.1Å; Y1049-L1135 HydrophobicContact CD1-CG 4.26Å; Y1049-L1135 HydrophobicContact CE1-CB 4.28Å; Y1049-L1135 HydrophobicContact CE1-CD1 3.97Å; Y1049-L1135 HydrophobicContact CE1-CG 3.71Å; I1057-L1135 HydrophobicContact CD1-CD1 4.4Å; L1076-L1135 HydrophobicContact CD2-CD1 3.87Å |
| 1136 | M | 90.1 | Very high | 77.4 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.015 | 26% | 0.258 | C | S | . | . | trans | -131 | 84.7 | -178.5 | -70.5 | -157.4 | -169.1 | 0 | 0 | 108.7 | P1015 I1017 L1040 V1043 P1046 M1087 F1134 H1138 V1139 L1142 | P1015-M1136 HydrophobicContact CB-SD 3.92Å; P1015-M1136 HydrophobicContact CG-CB 4.31Å; P1015-M1136 HydrophobicContact CG-SD 3.81Å; I1017-M1136 HydrophobicContact CD1-CE 3.84Å; L1040-M1136 HydrophobicContact CD2-CE 4.38Å; V1043-M1136 HydrophobicContact CG1-CB 4.09Å; V1043-M1136 HydrophobicContact CG1-CG 4.29Å; V1043-M1136 HydrophobicContact CG2-CB 4.04Å; V1043-M1136 HydrophobicContact CG2-SD 4.4Å; P1046-M1136 HydrophobicContact CB-CE 3.73Å; P1046-M1136 HydrophobicContact CB-CG 3.98Å; P1046-M1136 HydrophobicContact CB-SD 4.25Å; M1087-M1136 HydrophobicContact CE-CE 3.5Å; M1087-M1136 VanDerWaalsContact CE-CE 3.5Å; M1087-M1136 HydrophobicContact SD-CE 3.92Å; F1134-M1136 HydrophobicContact CB-CE 3.73Å; F1134-M1136 HydrophobicContact CB-CG 3.92Å; F1134-M1136 HydrophobicContact CB-SD 4.47Å; F1134-M1136 HydrophobicContact CD1-CE 3.87Å; F1134-M1136 HydrophobicContact CG-CE 3.82Å; F1134-M1136 PolarHBondContact O-N 2.97Å; M1136-H1138 PolarHBondContact O-N 2.82Å; M1136-V1139 VanDerWaalsContact O-CB 3.3Å; M1136-V1139 WeakPolarHBondContact O-CB 3.27Å; M1136-V1139 WeakPolarHBondContact O-CG2 3.44Å; M1136-V1139 PolarHBondContact O-N 3.13Å; M1136-V1139 VanDerWaalsContact O-N 3.12Å; M1136-L1142 HydrophobicContact CB-CD1 4.16Å; M1136-L1142 HydrophobicContact CE-CD1 4.27Å; M1136-L1142 HydrophobicContact CG-CD1 4.08Å; M1136-L1142 HydrophobicContact SD-CD1 3.43Å; M1136-L1142 WeakPolarHBondContact SD-CD1 3.27Å | ||
| 1137 | D | 89.7 | Confident | 77.8 | Confident | 38 Ų | 38 | 45.2 Ų | 45.2 | 20% | 0.203 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | -129.7 | -173.4 | -62.4 | -1.7 | 0 | 0 | 0 | 112 | P936 G939 T941 | P936-D1137 VanDerWaalsContact CD-OD2 3.28Å; P936-D1137 WeakPolarHBondContact CD-OD2 3.41Å; P936-D1137 HydrophobicContact CG-CB 3.92Å; G939-D1137 VanDerWaalsContact O-CB 3.26Å; G939-D1137 WeakPolarHBondContact O-CB 3.49Å; T941-D1137 VanDerWaalsContact CA-OD2 3.32Å; T941-D1137 WeakPolarHBondContact CA-OD2 3.49Å; T941-D1137 PolarHBondContact OG1-OD2 2.97Å |
| 1138 | H | 88.3 | Confident | 78 | Confident | 74 Ų | 74 | 46.4 Ų | 46.4 | 34% | 0.343 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 24.7 | 175.7 | -70.7 | 154 | 0 | 0 | 0 | 114 | S938 G939 G940 M1136 D1140 | S938-H1138 WeakPolarHBondContact CB-O 3.41Å; G939-H1138 WeakPolarHBondContact O-CB 3.5Å; G939-H1138 PolarHBondContact O-N 3.22Å; G940-H1138 WeakPolarHBondContact CA-ND1 3.23Å; G940-H1138 PolarHBondContact N-ND1 2.77Å; M1136-H1138 PolarHBondContact O-N 2.82Å; H1138-D1140 PolarHBondContact O-N 3.14Å |
| 1139 | V | 88.6 | Confident | 78.1 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | trans | -79.3 | 86.2 | 180 | -174.2 | 0 | 0 | 0 | 0 | 109.9 | P936 D1014 P1015 M1136 S1141 L1142 | P936-V1139 HydrophobicContact CB-CG2 3.79Å; P936-V1139 HydrophobicContact CG-CG2 3.87Å; D1014-V1139 HydrophobicContact CB-CG1 3.99Å; D1014-V1139 HydrophobicContact CB-CG2 4.42Å; P1015-V1139 HydrophobicContact CG-CB 4.49Å; P1015-V1139 HydrophobicContact CG-CG1 4.3Å; P1015-V1139 HydrophobicContact CG-CG2 4Å; M1136-V1139 VanDerWaalsContact O-CB 3.3Å; M1136-V1139 WeakPolarHBondContact O-CB 3.27Å; M1136-V1139 WeakPolarHBondContact O-CG2 3.44Å; M1136-V1139 PolarHBondContact O-N 3.13Å; M1136-V1139 VanDerWaalsContact O-N 3.12Å; V1139-S1141 WeakPolarHBondContact CG1-OG 3.14Å; V1139-S1141 PolarHBondContact O-N 2.84Å; V1139-L1142 HydrophobicContact CG1-CB 4.47Å; V1139-L1142 HydrophobicContact CG1-CD1 4.14Å; V1139-L1142 HydrophobicContact CG1-CG 3.93Å; V1139-L1142 PolarHBondContact O-N 3.1Å | ||
| 1140 | D | 83.4 | Confident | 77.8 | Confident | 109 Ų | 109 | 38.9 Ų | 38.9 | 58% | 0.583 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | -64.7 | -26 | -173 | -68.4 | -34.7 | 0 | 0 | 0 | 113.8 | H1138 L1142 R1143 | H1138-D1140 PolarHBondContact O-N 3.14Å; D1140-L1142 PolarHBondContact O-N 3.49Å; D1140-R1143 PolarHBondContact O-N 2.87Å; D1140-R1143 WeakPolarHBondContact OD1-CD 3.37Å; D1140-R1143 IonicContact OD1-CZ 3.1Å; D1140-R1143 IonicContact OD1-NE 2.85Å; D1140-R1143 PolarHBondContact OD1-NE 2.84Å; D1140-R1143 IonicContact OD1-NH2 3.87Å |
| 1141 | S | 81.5 | Confident | 78 | Confident | 83 Ų | 83 | 37.7 Ų | 37.7 | 58% | 0.58 | 20% | 0.199 | S | C | * | . | G | 310 helix | trans | -63.2 | -21.1 | 176.9 | 57.5 | 0 | 0 | 0 | 0 | 114 | V1139 | V1139-S1141 WeakPolarHBondContact CG1-OG 3.14Å; V1139-S1141 PolarHBondContact O-N 2.84Å |
| 1142 | L | 86.6 | Confident | 78.3 | Confident | 5 Ų | 5 | 38.5 Ų | 38.5 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -98 | -10.3 | 177.9 | -62.4 | -175.2 | 0 | 0 | 0 | 113.6 | P1015 I1017 F1134 M1136 V1139 D1140 H1144 L1145 | P1015-L1142 HydrophobicContact CB-CD1 3.99Å; P1015-L1142 HydrophobicContact CG-CD1 3.73Å; P1015-L1142 WeakPolarHBondContact O-CD1 3.5Å; I1017-L1142 HydrophobicContact CB-CD2 4.32Å; I1017-L1142 HydrophobicContact CG1-CD1 4.33Å; I1017-L1142 HydrophobicContact CG1-CD2 3.76Å; F1134-L1142 HydrophobicContact CB-CB 4.43Å; F1134-L1142 PolarHBondContact N-O 3.02Å; F1134-L1142 CarbonylContact O-C 3.51Å; M1136-L1142 HydrophobicContact CB-CD1 4.16Å; M1136-L1142 HydrophobicContact CE-CD1 4.27Å; M1136-L1142 HydrophobicContact CG-CD1 4.08Å; M1136-L1142 HydrophobicContact SD-CD1 3.43Å; M1136-L1142 WeakPolarHBondContact SD-CD1 3.27Å; V1139-L1142 HydrophobicContact CG1-CB 4.47Å; V1139-L1142 HydrophobicContact CG1-CD1 4.14Å; V1139-L1142 HydrophobicContact CG1-CG 3.93Å; V1139-L1142 PolarHBondContact O-N 3.1Å; D1140-L1142 PolarHBondContact O-N 3.49Å; L1142-H1144 VanDerWaalsContact C-N 3.31Å; L1142-H1144 PolarHBondContact O-N 3.36Å; L1142-L1145 HydrophobicContact CD2-CD2 3.75Å |
| 1143 | R | 80.6 | Confident | 78.2 | Confident | 87 Ų | 87 | 38.6 Ų | 38.6 | 33% | 0.328 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -38 | 178.3 | -70.3 | -177.9 | -176.6 | -111.4 | -4.7 | 111.4 | Y1049 G1133 D1140 | Y1049-R1143 VanDerWaalsContact OH-C 3.29Å; Y1049-R1143 WeakPolarHBondContact OH-CA 3.35Å; Y1049-R1143 WeakPolarHBondContact OH-CB 3.44Å; Y1049-R1143 PolarHBondContact OH-O 2.88Å; G1133-R1143 VanDerWaalsContact CA-O 3.23Å; G1133-R1143 WeakPolarHBondContact CA-O 3.38Å; D1140-R1143 PolarHBondContact O-N 2.87Å; D1140-R1143 WeakPolarHBondContact OD1-CD 3.37Å; D1140-R1143 IonicContact OD1-CZ 3.1Å; D1140-R1143 IonicContact OD1-NE 2.85Å; D1140-R1143 PolarHBondContact OD1-NE 2.84Å; D1140-R1143 IonicContact OD1-NH2 3.87Å |
| 1144 | H | 75.4 | Confident | 78.1 | Confident | 97 Ų | 97 | 39.2 Ų | 39.2 | 45% | 0.449 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -123.6 | 94 | 173.6 | -67 | 169.2 | 0 | 0 | 0 | 108.2 | L1051 L1142 | L1051-H1144 VanDerWaalsContact CD1-CD2 3.47Å; L1051-H1144 WeakPolarHBondContact CD1-CD2 3.14Å; L1142-H1144 VanDerWaalsContact C-N 3.31Å; L1142-H1144 PolarHBondContact O-N 3.36Å |
| 1145 | L | 71 | Confident | 77.7 | Confident | 14 Ų | 14 | 40.4 Ų | 40.4 | 7% | 0.073 | 22% | 0.217 | C | C | . | . | trans | -70.8 | 154.4 | 179.4 | -82.7 | 172.1 | 0 | 0 | 0 | 112 | I1017 L1132 F1134 L1142 L1149 | I1017-L1145 HydrophobicContact CB-CD1 4.15Å; I1017-L1145 HydrophobicContact CB-CD2 4Å; I1017-L1145 HydrophobicContact CG1-CD1 4.19Å; I1017-L1145 HydrophobicContact CG1-CD2 4.33Å; I1017-L1145 HydrophobicContact CG2-CD1 4.03Å; L1132-L1145 HydrophobicContact CD1-CB 4.01Å; L1132-L1145 HydrophobicContact CD1-CD1 3.37Å; L1132-L1145 HydrophobicContact CD1-CG 4.31Å; L1132-L1145 WeakPolarHBondContact O-CB 3.3Å; L1132-L1145 PolarHBondContact O-N 3.2Å; F1134-L1145 HydrophobicContact CD2-CD1 3.34Å; F1134-L1145 HydrophobicContact CD2-CG 4.36Å; F1134-L1145 HydrophobicContact CE2-CD1 3.33Å; L1142-L1145 HydrophobicContact CD2-CD2 3.75Å; L1145-L1149 HydrophobicContact CB-CD1 4.43Å; L1145-L1149 HydrophobicContact CD2-CD1 4.08Å | ||
| 1146 | S | 61.3 | Low | 77.6 | Confident | 58 Ų | 58 | 40.2 Ų | 40.2 | 41% | 0.406 | 22% | 0.216 | S | C | . | . | trans | -53 | 134.3 | 173.9 | -170.8 | 0 | 0 | 0 | 0 | 108.8 | E1148 L1149 | S1146-E1148 PolarHBondContact O-N 2.8Å; S1146-L1149 WeakPolarHBondContact O-CA 3.33Å; S1146-L1149 VanDerWaalsContact O-CB 3.25Å; S1146-L1149 WeakPolarHBondContact O-CB 3.48Å; S1146-L1149 PolarHBondContact O-N 2.78Å | ||
| 1147 | P | 60.3 | Low | 77.5 | Confident | 10 Ų | 10 | 40.1 Ų | 40.1 | 7% | 0.065 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -78.8 | -5.9 | -170.9 | -24.1 | 43.1 | 0 | 0 | 0 | 114.2 | G316 A317 R1129 D1131 L1149 G1150 | G316-P1147 VanDerWaalsContact CA-CB 3.42Å; A317-P1147 VanDerWaalsContact CA-CG 3.46Å; A317-P1147 HydrophobicContact CB-CB 3.64Å; A317-P1147 HydrophobicContact CB-CG 4.06Å; R1129-P1147 PolarHBondContact NH2-O 3.36Å; D1131-P1147 WeakPolarHBondContact OD1-CB 3.4Å; P1147-L1149 PolarHBondContact O-N 3.32Å; P1147-G1150 PolarHBondContact O-N 3.07Å |
| 1148 | E | 62.1 | Low | 77.4 | Confident | 100 Ų | 100 | 41.1 Ų | 41.1 | 47% | 0.467 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -54.3 | -31.9 | 156.9 | -52.2 | -170.6 | 158.7 | 0 | 0 | 112 | L250 S1146 | L250-E1148 HydrophobicContact CB-CG 4.13Å; L250-E1148 HydrophobicContact CD1-CB 3.87Å; L250-E1148 HydrophobicContact CD1-CG 4.06Å; L250-E1148 HydrophobicContact CD2-CB 3.74Å; L250-E1148 HydrophobicContact CD2-CG 3.82Å; L250-E1148 HydrophobicContact CG-CB 4.3Å; L250-E1148 HydrophobicContact CG-CG 4.2Å; S1146-E1148 PolarHBondContact O-N 2.8Å |
| 1149 | L | 66 | Low | 77.5 | Confident | 32 Ų | 32 | 38 Ų | 38 | 17% | 0.168 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -87.1 | 0.1 | 172.3 | -70.8 | 148.1 | 0 | 0 | 0 | 113.5 | I1017 I1020 L1132 L1145 S1146 P1147 | I1017-L1149 HydrophobicContact CG2-CD1 4.47Å; I1017-L1149 HydrophobicContact CG2-CD2 4.21Å; I1020-L1149 HydrophobicContact CG1-CD2 4.31Å; L1132-L1149 VanDerWaalsContact CD2-O 3.23Å; L1132-L1149 WeakPolarHBondContact CD2-O 3.31Å; L1145-L1149 HydrophobicContact CB-CD1 4.43Å; L1145-L1149 HydrophobicContact CD2-CD1 4.08Å; S1146-L1149 WeakPolarHBondContact O-CA 3.33Å; S1146-L1149 VanDerWaalsContact O-CB 3.25Å; S1146-L1149 WeakPolarHBondContact O-CB 3.48Å; S1146-L1149 PolarHBondContact O-N 2.78Å; P1147-L1149 PolarHBondContact O-N 3.32Å |
| 1150 | G | 66.4 | Low | 77.6 | Confident | 9 Ų | 9 | 42.6 Ų | 42.6 | 9% | 0.093 | 23% | 0.228 | C | C | . | . | trans | -62.6 | 152.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P1147 | P1147-G1150 PolarHBondContact O-N 3.07Š| ||
| 1151 | F | 74.1 | Confident | 77.8 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 150.1 | -172.7 | 123 | -68.9 | 0 | 0 | 0 | 112.2 | S1023 A1025 L1050 Y1130 L1132 I1153 | S1023-F1151 CarbonylContact O-C 3.6Å; S1023-F1151 VanDerWaalsContact O-CA 3.26Å; S1023-F1151 WeakPolarHBondContact O-CA 3.38Å; S1023-F1151 WeakPolarHBondContact O-CB 3.41Å; A1025-F1151 HydrophobicContact CB-CE2 3.3Å; A1025-F1151 HydrophobicContact CB-CZ 3.62Å; L1050-F1151 HydrophobicContact CD1-CE1 4.46Å; L1050-F1151 HydrophobicContact CD2-CD1 3.99Å; L1050-F1151 HydrophobicContact CD2-CE1 3.79Å; Y1130-F1151 PolarHBondContact N-O 3.36Å; Y1130-F1151 PolarHBondContact O-N 3.41Å; L1132-F1151 HydrophobicContact CD2-CB 3.88Å; F1151-I1153 HydrophobicContact CD1-CG1 4.45Å; F1151-I1153 HydrophobicContact CE1-CD1 3.4Å; F1151-I1153 HydrophobicContact CE1-CG1 3.51Å; F1151-I1153 HydrophobicContact CZ-CD1 3.34Å; F1151-I1153 HydrophobicContact CZ-CG1 3.83Å |
| 1152 | T | 81.1 | Confident | 78 | Confident | 43 Ų | 43 | 39.2 Ų | 39.2 | 26% | 0.264 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 120.5 | -172.6 | -49.3 | 0 | 0 | 0 | 0 | 110.9 | S1023 D1024 A1025 V1154 | S1023-T1152 PolarHBondContact O-N 2.93Å; D1024-T1152 CarbonylContact C-O 3.53Å; D1024-T1152 WeakPolarHBondContact CA-O 3.29Å; A1025-T1152 PolarHBondContact N-O 2.91Å; T1152-V1154 HydrophobicContact CG2-CG1 4.3Å |
| 1153 | I | 78.5 | Confident | 77.3 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 123.9 | 168.3 | -62.6 | -90.6 | 0 | 0 | 0 | 109.2 | A1025 R1027 L1050 L1094 S1127 Q1128 Y1130 F1151 | A1025-I1153 CarbonylContact O-C 3.58Å; A1025-I1153 VanDerWaalsContact O-CA 3.25Å; A1025-I1153 WeakPolarHBondContact O-CA 3.31Å; R1027-I1153 HydrophobicContact CB-CG2 4.16Å; L1050-I1153 HydrophobicContact CD1-CD1 4.01Å; L1050-I1153 HydrophobicContact CD1-CG1 4.34Å; L1094-I1153 HydrophobicContact CD1-CB 3.88Å; L1094-I1153 HydrophobicContact CD1-CD1 4.13Å; L1094-I1153 HydrophobicContact CD1-CG1 3.83Å; L1094-I1153 HydrophobicContact CD1-CG2 3.49Å; L1094-I1153 VanDerWaalsContact CD1-CG2 3.49Å; L1094-I1153 HydrophobicContact CG-CD1 4.11Å; L1094-I1153 HydrophobicContact CG-CG1 4.27Å; L1094-I1153 HydrophobicContact CG-CG2 4.36Å; S1127-I1153 WeakPolarHBondContact CA-O 3.39Å; Q1128-I1153 PolarHBondContact N-O 3.06Å; Q1128-I1153 PolarHBondContact O-N 3.43Å; Y1130-I1153 HydrophobicContact CD2-CB 3.89Å; Y1130-I1153 HydrophobicContact CD2-CG1 3.55Å; Y1130-I1153 HydrophobicContact CE2-CB 3.86Å; Y1130-I1153 HydrophobicContact CE2-CG1 3.89Å; Y1130-I1153 HydrophobicContact CG-CG1 4.44Å; F1151-I1153 HydrophobicContact CD1-CG1 4.45Å; F1151-I1153 HydrophobicContact CE1-CD1 3.4Å; F1151-I1153 HydrophobicContact CE1-CG1 3.51Å; F1151-I1153 HydrophobicContact CZ-CD1 3.34Å; F1151-I1153 HydrophobicContact CZ-CG1 3.83Å |
| 1154 | V | 81.1 | Confident | 77.1 | Confident | 13 Ų | 13 | 47.5 Ų | 47.5 | 8% | 0.079 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 164.6 | 176.1 | -62.9 | 0 | 0 | 0 | 0 | 111.3 | A1025 R1027 T1152 F1183 | A1025-V1154 WeakPolarHBondContact O-CG2 3.46Å; A1025-V1154 PolarHBondContact O-N 2.8Å; R1027-V1154 PolarHBondContact N-O 2.81Å; R1027-V1154 VanDerWaalsContact N-O 3.12Å; T1152-V1154 HydrophobicContact CG2-CG1 4.3Å; V1154-F1183 HydrophobicContact CB-CB 4.31Å; V1154-F1183 WeakPolarHBondContact CG1-O 3.29Å; V1154-F1183 HydrophobicContact CG2-CB 4.32Å |
| 1155 | P | 81.4 | Confident | 77.1 | Confident | 25 Ų | 25 | 44.5 Ų | 44.5 | 16% | 0.162 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 151.1 | 171.5 | -23.6 | 34.2 | 0 | 0 | 0 | 112.3 | ||
| 1156 | D | 82.8 | Confident | 77.4 | Confident | 39 Ų | 39 | 46.3 Ų | 46.3 | 21% | 0.209 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -66 | 140.3 | 174.3 | -72.8 | -31.9 | 0 | 0 | 0 | 110.9 | F1026 R1027 S1028 L1239 | F1026-D1156 WeakPolarHBondContact CB-OD1 3.41Å; R1027-D1156 WeakPolarHBondContact CA-OD1 3.27Å; R1027-D1156 PolarHBondContact N-OD1 3.08Å; S1028-D1156 WeakPolarHBondContact CB-OD1 3.14Å; S1028-D1156 WeakPolarHBondContact CB-OD2 3.17Å; S1028-D1156 PolarHBondContact N-OD1 2.96Å; S1028-D1156 PolarHBondContact N-OD2 3.07Å; S1028-D1156 VanDerWaalsContact OG-CG 3.29Å; S1028-D1156 PolarHBondContact OG-OD1 3.28Å; S1028-D1156 PolarHBondContact OG-OD2 3.46Å; D1156-L1239 HydrophobicContact CB-CD1 3.91Å |
| 1157 | P | 88.3 | Confident | 78.2 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 135.2 | 171.4 | 26.3 | -33.1 | 0 | 0 | 0 | 110.2 | Y1159 L1181 V1236 L1239 F1241 | P1157-Y1159 HydrophobicContact CB-CE2 4.25Å; P1157-L1181 HydrophobicContact CB-CD2 4.18Å; P1157-V1236 HydrophobicContact CG-CG1 3.89Å; P1157-L1239 HydrophobicContact CG-CD1 3.81Å; P1157-F1241 WeakPolarHBondContact O-CZ 3.34Å |
| 1158 | V | 87.1 | Confident | 78.9 | Confident | 59 Ų | 59 | 50.8 Ų | 50.8 | 36% | 0.358 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 126.9 | 179.6 | -177.9 | 0 | 0 | 0 | 0 | 108.4 | F1160 G1178 S1179 | V1158-F1160 HydrophobicContact CG1-CD1 4.39Å; V1158-F1160 HydrophobicContact CG1-CE1 4.23Å; V1158-G1178 CarbonylContact O-C 3.48Å; V1158-G1178 WeakPolarHBondContact O-CA 3.48Å; V1158-S1179 PolarHBondContact N-O 2.86Å; V1158-S1179 PolarHBondContact O-N 3.31Å |
| 1159 | Y | 90.6 | Very high | 79.2 | Confident | 7 Ų | 7 | 47.1 Ų | 47.1 | 3% | 0.027 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 136.8 | 174 | -62.7 | -94.7 | 0 | 0 | 0 | 109 | P1157 I1176 L1181 L1209 V1234 V1236 F1241 | P1157-Y1159 HydrophobicContact CB-CE2 4.25Å; Y1159-I1176 HydrophobicContact CD1-CG2 3.82Å; Y1159-L1181 HydrophobicContact CD1-CD2 3.71Å; Y1159-L1181 HydrophobicContact CD2-CD2 4.17Å; Y1159-L1181 HydrophobicContact CE1-CD1 4.44Å; Y1159-L1181 HydrophobicContact CE1-CD2 3.42Å; Y1159-L1181 VanDerWaalsContact CE1-CD2 3.42Å; Y1159-L1181 HydrophobicContact CE2-CD2 3.93Å; Y1159-L1181 HydrophobicContact CG-CD2 4.08Å; Y1159-L1209 HydrophobicContact CE1-CB 4.49Å; Y1159-L1209 HydrophobicContact CE1-CD1 4.2Å; Y1159-V1234 HydrophobicContact CD1-CB 4.49Å; Y1159-V1234 HydrophobicContact CD1-CG1 4.1Å; Y1159-V1234 HydrophobicContact CD1-CG2 4.33Å; Y1159-V1234 HydrophobicContact CD2-CG1 4.16Å; Y1159-V1234 HydrophobicContact CE1-CG1 3.69Å; Y1159-V1234 HydrophobicContact CE2-CG1 3.76Å; Y1159-V1234 HydrophobicContact CG-CB 4.49Å; Y1159-V1234 HydrophobicContact CG-CG1 4.32Å; Y1159-V1234 VanDerWaalsContact CZ-CG1 3.5Å; Y1159-V1236 HydrophobicContact CE2-CG2 4.42Å; Y1159-V1236 WeakPolarHBondContact OH-CG2 3.37Å; Y1159-F1241 HydrophobicContact CD2-CD1 4.33Å; Y1159-F1241 AromaticContact CD2-CD2 3.37Å; Y1159-F1241 HydrophobicContact CD2-CD2 3.37Å; Y1159-F1241 HydrophobicContact CD2-CE1 4.45Å; Y1159-F1241 AromaticContact CD2-CE2 3.5Å; Y1159-F1241 HydrophobicContact CD2-CE2 3.5Å; Y1159-F1241 AromaticContact CD2-CG 3.82Å; Y1159-F1241 HydrophobicContact CD2-CG 3.82Å; Y1159-F1241 HydrophobicContact CD2-CZ 4.07Å; Y1159-F1241 AromaticContact CE2-CD2 3.93Å; Y1159-F1241 HydrophobicContact CE2-CD2 3.93Å; Y1159-F1241 AromaticContact CE2-CE2 3.88Å; Y1159-F1241 HydrophobicContact CE2-CE2 3.88Å; Y1159-F1241 HydrophobicContact CG-CD2 4.3Å; Y1159-F1241 HydrophobicContact CG-CG 4.38Å |
| 1160 | F | 90.1 | Very high | 79.2 | Confident | 98 Ų | 98 | 54.2 Ų | 54.2 | 43% | 0.43 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -88.7 | 134.2 | -179.1 | -58 | -36.4 | 0 | 0 | 0 | 111.2 | V1158 E1177 | V1158-F1160 HydrophobicContact CG1-CD1 4.39Å; V1158-F1160 HydrophobicContact CG1-CE1 4.23Å; F1160-E1177 HydrophobicContact CD2-CB 3.89Å; F1160-E1177 PolarHBondContact N-O 2.89Å |
| 1161 | D | 86.9 | Confident | 79.2 | Confident | 114 Ų | 114 | 63.5 Ų | 63.5 | 61% | 0.61 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -63 | 153.8 | 174.3 | -59.9 | -26.6 | 0 | 0 | 0 | 111 | ||
| 1162 | F | 86.6 | Confident | 79.1 | Confident | 8 Ų | 8 | 65.2 Ų | 65.2 | 4% | 0.035 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 138.4 | 175.2 | -59.1 | -34.2 | 0 | 0 | 0 | 111 | D1164 G1165 R1167 V1232 L1243 | F1162-D1164 PolarHBondContact O-N 3.45Å; F1162-G1165 PolarHBondContact O-N 3.11Å; F1162-R1167 HydrophobicContact CB-CB 4.21Å; F1162-R1167 HydrophobicContact CD1-CB 4.02Å; F1162-R1167 HydrophobicContact CD1-CG 4.46Å; F1162-R1167 HydrophobicContact CD2-CB 3.8Å; F1162-R1167 HydrophobicContact CE1-CB 4.34Å; F1162-R1167 HydrophobicContact CE2-CB 4.15Å; F1162-R1167 HydrophobicContact CG-CB 3.75Å; F1162-R1167 HydrophobicContact CZ-CB 4.41Å; F1162-V1232 HydrophobicContact CE2-CB 3.87Å; F1162-V1232 HydrophobicContact CE2-CG2 3.69Å; F1162-V1232 HydrophobicContact CZ-CB 3.91Å; F1162-V1232 HydrophobicContact CZ-CG1 4.16Å; F1162-V1232 HydrophobicContact CZ-CG2 3.86Å; F1162-L1243 HydrophobicContact CD2-CB 4.49Å; F1162-L1243 WeakPolarHBondContact CD2-O 3.48Å; F1162-L1243 HydrophobicContact CE1-CB 4.24Å; F1162-L1243 HydrophobicContact CE2-CB 4.16Å; F1162-L1243 WeakPolarHBondContact CG-O 3.3Å; F1162-L1243 HydrophobicContact CZ-CB 4.03Å; F1162-L1243 HydrophobicContact CZ-CD1 4.48Å; F1162-L1243 PolarHBondContact N-O 3.2Å |
| 1163 | P | 71.2 | Confident | 79.2 | Confident | 99 Ų | 99 | 66.3 Ų | 66.3 | 64% | 0.643 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -55.2 | 129 | 171.7 | -17.8 | 29.2 | 0 | 0 | 0 | 109.2 | G1165 V1166 | P1163-G1165 PolarHBondContact O-N 2.87Å; P1163-V1166 VanDerWaalsContact O-O 3.1Å |
| 1164 | D | 76.8 | Confident | 79.6 | Confident | 167 Ų | 167 | 66.1 Ų | 66.1 | 89% | 0.893 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | 64 | 13 | -174.4 | -51.3 | -42.9 | 0 | 0 | 0 | 116 | F1162 V1166 | F1162-D1164 PolarHBondContact O-N 3.45Å; D1164-V1166 PolarHBondContact O-N 3.37Å |
| 1165 | G | 75.4 | Confident | 80 | Confident | 34 Ų | 34 | 68.6 Ų | 68.6 | 35% | 0.351 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | 72.3 | 7.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | F1162 P1163 G1244 D1245 | F1162-G1165 PolarHBondContact O-N 3.11Å; P1163-G1165 PolarHBondContact O-N 2.87Å; G1165-G1244 CarbonylContact O-C 3.33Å; G1165-G1244 VanDerWaalsContact O-CA 3.31Å; G1165-G1244 WeakPolarHBondContact O-CA 3.44Å; G1165-D1245 PolarHBondContact O-N 2.98Å |
| 1166 | V | 77.4 | Confident | 80.4 | Confident | 51 Ų | 51 | 67.4 Ų | 67.4 | 31% | 0.309 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 135.1 | -173.7 | 177.5 | 0 | 0 | 0 | 0 | 110.4 | P1163 D1164 D1245 I1247 | P1163-V1166 VanDerWaalsContact O-O 3.1Å; D1164-V1166 PolarHBondContact O-N 3.37Å; V1166-D1245 CarbonylContact C-O 3.54Å; V1166-D1245 VanDerWaalsContact CA-O 3.3Å; V1166-D1245 WeakPolarHBondContact CA-O 3.47Å; V1166-I1247 HydrophobicContact CG1-CD1 3.28Å; V1166-I1247 HydrophobicContact CG1-CG1 3.71Å |
| 1167 | R | 78.4 | Confident | 80.7 | Confident | 67 Ų | 67 | 70.5 Ų | 70.5 | 25% | 0.253 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 121.7 | 174.5 | -165.6 | 165 | -173.1 | 160.3 | 2.3 | 111.8 | F1162 I1175 D1245 L1246 I1247 | F1162-R1167 HydrophobicContact CB-CB 4.21Å; F1162-R1167 HydrophobicContact CD1-CB 4.02Å; F1162-R1167 HydrophobicContact CD1-CG 4.46Å; F1162-R1167 HydrophobicContact CD2-CB 3.8Å; F1162-R1167 HydrophobicContact CE1-CB 4.34Å; F1162-R1167 HydrophobicContact CE2-CB 4.15Å; F1162-R1167 HydrophobicContact CG-CB 3.75Å; F1162-R1167 HydrophobicContact CZ-CB 4.41Å; R1167-I1175 PolarHBondContact NH1-O 3.46Å; R1167-I1175 PolarHBondContact NH2-O 3.17Å; R1167-D1245 PolarHBondContact N-O 3.43Å; R1167-L1246 HydrophobicContact CB-CD1 4.35Å; R1167-L1246 WeakPolarHBondContact O-CA 3.13Å; R1167-I1247 PolarHBondContact O-N 2.91Å |
| 1168 | T | 73.9 | Confident | 80.7 | Confident | 96 Ų | 96 | 70.6 Ų | 70.6 | 59% | 0.589 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 126.3 | 174.5 | 12 | 0 | 0 | 0 | 0 | 110.8 | I1247 | T1168-I1247 CarbonylContact C-O 3.6Å; T1168-I1247 WeakPolarHBondContact CA-O 3.23Å; T1168-I1247 HydrophobicContact CG2-CB 4.2Å; T1168-I1247 HydrophobicContact CG2-CG2 4.28Å |
| 1169 | H | 69.7 | Low | 80.7 | Confident | 23 Ų | 23 | 69.6 Ų | 69.6 | 11% | 0.106 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 128.3 | -173.4 | -168.6 | 59.9 | 0 | 0 | 0 | 111.7 | G1172 P1173 L1246 I1247 Y1248 E1249 | H1169-G1172 PolarHBondContact CE1-O 2.9Å; H1169-G1172 PolarHBondContact NE2-O 3.29Å; H1169-P1173 PolarHBondContact CE1-O 2.81Å; H1169-L1246 HydrophobicContact CB-CD1 3.98Å; H1169-L1246 HydrophobicContact CB-CD2 4.41Å; H1169-L1246 HydrophobicContact CB-CG 4.14Å; H1169-I1247 PolarHBondContact N-O 2.97Å; H1169-Y1248 AromaticContact CD2-CE1 3.9Å; H1169-E1249 PolarHBondContact O-N 2.8Å |
| 1170 | R | 65.4 | Low | 80.3 | Confident | 180 Ų | 180 | 71.4 Ų | 71.4 | 68% | 0.679 | 38% | 0.382 | S | S | * | . | trans | -100.7 | 160.1 | 168.4 | -69.9 | -176.7 | -178.8 | 178.3 | 1.1 | 109.3 | G1172 E1249 | R1170-G1172 PolarHBondContact O-N 2.88Å; R1170-E1249 HydrophobicContact CG-CB 4.27Å; R1170-E1249 IonicContact CZ-OE2 3.53Å; R1170-E1249 IonicContact NE-OE2 2.72Å; R1170-E1249 PolarHBondContact NE-OE2 3.08Å; R1170-E1249 IonicContact NH2-OE1 3.96Å; R1170-E1249 IonicContact NH2-OE2 2.74Å; R1170-E1249 PolarHBondContact NH2-OE2 2.86Å | ||
| 1171 | E | 66.5 | Low | 80.2 | Confident | 204 Ų | 204 | 66.7 Ų | 66.7 | 95% | 0.953 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -43.3 | 125 | -179.4 | -72 | -163.5 | 146.2 | 0 | 0 | 112.9 | ||
| 1172 | G | 72.5 | Confident | 80.1 | Confident | 38 Ų | 38 | 64.8 Ų | 64.8 | 39% | 0.392 | 35% | 0.351 | S | S | . | . | S | Bend | trans | 149.1 | -179 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | H1169 R1170 | H1169-G1172 PolarHBondContact CE1-O 2.9Å; H1169-G1172 PolarHBondContact NE2-O 3.29Å; R1170-G1172 PolarHBondContact O-N 2.88Å |
| 1173 | P | 83.4 | Confident | 79.8 | Confident | 65 Ų | 65 | 69.3 Ų | 69.3 | 42% | 0.422 | 37% | 0.371 | S | S | . | . | trans | -71.3 | 141.9 | 175 | 29.4 | -32.9 | 0 | 0 | 0 | 112.3 | H1169 I1210 | H1169-P1173 PolarHBondContact CE1-O 2.81Å; P1173-I1210 HydrophobicContact CB-CG2 3.66Å; P1173-I1210 HydrophobicContact CG-CG2 4.49Å | ||
| 1174 | L | 87.1 | Confident | 79.9 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 126.4 | 174.9 | 180 | 65 | 0 | 0 | 0 | 109.8 | I1176 I1194 I1210 C1211 P1213 V1232 L1246 | L1174-I1176 HydrophobicContact CD2-CD1 4.37Å; L1174-I1176 HydrophobicContact CD2-CG1 4.49Å; L1174-I1176 HydrophobicContact CG-CG1 4.38Å; L1174-I1194 HydrophobicContact CD2-CD1 4.07Å; L1174-I1210 WeakPolarHBondContact O-CA 3.21Å; L1174-C1211 PolarHBondContact N-O 2.69Å; L1174-C1211 PolarHBondContact O-N 2.93Å; L1174-P1213 HydrophobicContact CB-CG 4.18Å; L1174-V1232 HydrophobicContact CD2-CG1 4.41Å; L1174-L1246 HydrophobicContact CD1-CD1 3.62Å; L1174-L1246 HydrophobicContact CD2-CD1 4.49Å |
| 1175 | I | 88.5 | Confident | 80.1 | Confident | 65 Ų | 65 | 57.2 Ų | 57.2 | 33% | 0.333 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 123.5 | 178.8 | -56.7 | 171.1 | 0 | 0 | 0 | 108.6 | R1167 Q1208 | R1167-I1175 PolarHBondContact NH1-O 3.46Å; R1167-I1175 PolarHBondContact NH2-O 3.17Å; I1175-Q1208 HydrophobicContact CG2-CB 4.48Å |
| 1176 | I | 90.4 | Very high | 80.6 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 126.1 | 176.3 | -64.3 | 173.3 | 0 | 0 | 0 | 107.8 | Y1159 L1174 V1192 Q1208 L1209 V1232 V1234 L1243 | Y1159-I1176 HydrophobicContact CD1-CG2 3.82Å; L1174-I1176 HydrophobicContact CD2-CD1 4.37Å; L1174-I1176 HydrophobicContact CD2-CG1 4.49Å; L1174-I1176 HydrophobicContact CG-CG1 4.38Å; I1176-V1192 HydrophobicContact CD1-CG1 3.94Å; I1176-Q1208 CarbonylContact O-C 3.59Å; I1176-Q1208 WeakPolarHBondContact O-CA 3.38Å; I1176-L1209 HydrophobicContact CB-CB 4.35Å; I1176-L1209 HydrophobicContact CB-CD2 4.03Å; I1176-L1209 HydrophobicContact CD1-CD2 3.78Å; I1176-L1209 HydrophobicContact CG1-CD2 4.22Å; I1176-L1209 PolarHBondContact N-O 2.74Å; I1176-L1209 PolarHBondContact O-N 2.83Å; I1176-V1232 HydrophobicContact CD1-CG1 4.02Å; I1176-V1234 HydrophobicContact CD1-CG2 4.12Å; I1176-L1243 HydrophobicContact CB-CD1 4.48Å; I1176-L1243 HydrophobicContact CD1-CD1 3.86Å; I1176-L1243 HydrophobicContact CG1-CD1 4.15Å; I1176-L1243 HydrophobicContact CG2-CD1 3.52Å |
| 1177 | E | 89.3 | Confident | 81 | Confident | 104 Ų | 104 | 58.9 Ų | 58.9 | 49% | 0.486 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 153.6 | -178.1 | -65.9 | 176.4 | -165.1 | 0 | 0 | 111.2 | F1160 | F1160-E1177 HydrophobicContact CD2-CB 3.89Å; F1160-E1177 PolarHBondContact N-O 2.89Å |
| 1178 | G | 88.4 | Confident | 81.2 | Confident | 3 Ų | 3 | 66.9 Ų | 66.9 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.3 | -169.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V1158 T1207 | V1158-G1178 CarbonylContact O-C 3.48Å; V1158-G1178 WeakPolarHBondContact O-CA 3.48Å; G1178-T1207 PolarHBondContact N-O 3.11Å; G1178-T1207 CarbonylContact O-C 3.57Å; G1178-T1207 VanDerWaalsContact O-CA 3.25Å; G1178-T1207 WeakPolarHBondContact O-CA 3.33Å |
| 1179 | S | 85.5 | Confident | 81.6 | Confident | 39 Ų | 39 | 64.1 Ų | 64.1 | 27% | 0.273 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 151.1 | 173.9 | 62.3 | 0 | 0 | 0 | 0 | 110.7 | V1158 L1181 | V1158-S1179 PolarHBondContact N-O 2.86Å; V1158-S1179 PolarHBondContact O-N 3.31Å; S1179-L1181 PolarHBondContact O-N 3.18Å |
| 1180 | N | 83.8 | Confident | 82.4 | Confident | 44 Ų | 44 | 63.6 Ų | 63.6 | 24% | 0.235 | 31% | 0.314 | C | S | . | . | S | Bend | trans | 59.2 | 22.9 | -177.7 | -49.2 | -36 | 0 | 0 | 0 | 114.4 | N1182 F1183 S1206 | N1180-N1182 VanDerWaalsContact C-N 3.32Å; N1180-N1182 PolarHBondContact O-N 3.23Å; N1180-F1183 HydrophobicContact CB-CB 4.49Å; N1180-F1183 HydrophobicContact CB-CD2 3.94Å; N1180-F1183 HydrophobicContact CB-CE2 4.45Å; N1180-F1183 HydrophobicContact CB-CG 4.23Å; N1180-F1183 PolarHBondContact O-N 3.2Å; N1180-F1183 VanDerWaalsContact OD1-CE2 3.27Å; N1180-F1183 WeakPolarHBondContact OD1-CE2 3.28Å; N1180-S1206 PolarHBondContact N-O 3.32Å |
| 1181 | L | 86.3 | Confident | 83.5 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -27.2 | -170.1 | -64.9 | -177.6 | 0 | 0 | 0 | 114 | P1157 Y1159 S1179 S1185 L1204 A1205 S1206 L1209 | P1157-L1181 HydrophobicContact CB-CD2 4.18Å; Y1159-L1181 HydrophobicContact CD1-CD2 3.71Å; Y1159-L1181 HydrophobicContact CD2-CD2 4.17Å; Y1159-L1181 HydrophobicContact CE1-CD1 4.44Å; Y1159-L1181 HydrophobicContact CE1-CD2 3.42Å; Y1159-L1181 VanDerWaalsContact CE1-CD2 3.42Å; Y1159-L1181 HydrophobicContact CE2-CD2 3.93Å; Y1159-L1181 HydrophobicContact CG-CD2 4.08Å; S1179-L1181 PolarHBondContact O-N 3.18Å; L1181-S1185 WeakPolarHBondContact O-CB 3.34Å; L1181-L1204 HydrophobicContact CB-CD1 3.98Å; L1181-A1205 VanDerWaalsContact CB-O 3.24Å; L1181-A1205 WeakPolarHBondContact CB-O 3.47Å; L1181-S1206 PolarHBondContact N-O 2.81Å; L1181-S1206 VanDerWaalsContact N-O 3.13Å; L1181-L1209 HydrophobicContact CD1-CB 4.42Å |
| 1182 | N | 86.4 | Confident | 84.7 | Confident | 73 Ų | 73 | 52 Ų | 52 | 39% | 0.39 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 7.4 | -179.6 | 75 | -16.2 | 0 | 0 | 0 | 114.1 | N1180 G1184 L1204 S1206 | N1180-N1182 VanDerWaalsContact C-N 3.32Å; N1180-N1182 PolarHBondContact O-N 3.23Å; N1182-G1184 VanDerWaalsContact C-N 3.28Å; N1182-G1184 PolarHBondContact O-N 2.91Å; N1182-L1204 HydrophobicContact CB-CG 4.37Å; N1182-S1206 VanDerWaalsContact CG-CA 3.5Å; N1182-S1206 PolarHBondContact ND2-N 3.43Å; N1182-S1206 WeakPolarHBondContact OD1-CA 3.34Å; N1182-S1206 WeakPolarHBondContact OD1-CB 3.44Å |
| 1183 | F | 79.7 | Confident | 85.5 | Confident | 104 Ų | 104 | 52.3 Ų | 52.3 | 46% | 0.456 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -71.6 | -22.3 | -174.9 | -78.8 | 12.4 | 0 | 0 | 0 | 113.2 | V1154 N1180 | V1154-F1183 HydrophobicContact CB-CB 4.31Å; V1154-F1183 WeakPolarHBondContact CG1-O 3.29Å; V1154-F1183 HydrophobicContact CG2-CB 4.32Å; N1180-F1183 HydrophobicContact CB-CB 4.49Å; N1180-F1183 HydrophobicContact CB-CD2 3.94Å; N1180-F1183 HydrophobicContact CB-CE2 4.45Å; N1180-F1183 HydrophobicContact CB-CG 4.23Å; N1180-F1183 PolarHBondContact O-N 3.2Å; N1180-F1183 VanDerWaalsContact OD1-CE2 3.27Å; N1180-F1183 WeakPolarHBondContact OD1-CE2 3.28Å |
| 1184 | G | 73 | Confident | 85.6 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -164.6 | 26.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F1026 R1031 N1182 | F1026-G1184 WeakPolarHBondContact CD1-O 3.48Å; R1031-G1184 PolarHBondContact NE-O 2.91Å; R1031-G1184 PolarHBondContact NH1-O 3.03Å; N1182-G1184 VanDerWaalsContact C-N 3.28Å; N1182-G1184 PolarHBondContact O-N 2.91Å |
| 1185 | S | 82 | Confident | 85.2 | Confident | 9 Ų | 9 | 51.7 Ų | 51.7 | 6% | 0.063 | 27% | 0.265 | C | S | . | . | trans | -133.1 | 137 | 180 | -49.8 | 0 | 0 | 0 | 0 | 108.6 | L1181 L1204 | L1181-S1185 WeakPolarHBondContact O-CB 3.34Å; S1185-L1204 VanDerWaalsContact O-CD2 3.27Å; S1185-L1204 WeakPolarHBondContact O-CD2 3.45Å | ||
| 1186 | S | 84.4 | Confident | 84.6 | Confident | 41 Ų | 41 | 54.2 Ų | 54.2 | 29% | 0.287 | 29% | 0.288 | S | S | . | . | trans | -107.9 | 166.2 | 173.4 | 72.8 | 0 | 0 | 0 | 0 | 110.2 | R1188 D1189 | S1186-R1188 PolarHBondContact O-N 2.79Å; S1186-R1188 PolarHBondContact OG-N 2.76Å; S1186-D1189 WeakPolarHBondContact CB-OD2 3.38Å; S1186-D1189 PolarHBondContact N-OD2 2.96Å; S1186-D1189 WeakPolarHBondContact O-CB 3.4Å; S1186-D1189 PolarHBondContact O-N 2.7Å; S1186-D1189 PolarHBondContact OG-OD2 3.29Å | ||
| 1187 | I | 86.5 | Confident | 84 | Confident | 80 Ų | 80 | 57.1 Ų | 57.1 | 41% | 0.41 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -51.6 | -27.4 | 173.8 | -67.7 | 171 | 0 | 0 | 0 | 112.3 | D1189 V1201 L1204 | I1187-D1189 VanDerWaalsContact C-N 3.34Å; I1187-V1201 HydrophobicContact CG2-CB 4.31Å; I1187-V1201 HydrophobicContact CG2-CG1 4.26Å; I1187-L1204 HydrophobicContact CG1-CB 3.8Å |
| 1188 | R | 81.8 | Confident | 83.8 | Confident | 234 Ų | 234 | 56 Ų | 56 | 88% | 0.883 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -79 | -16.9 | -179.8 | -53.7 | -178.5 | -172.2 | -172.3 | 2.4 | 113.8 | S1186 | S1186-R1188 PolarHBondContact O-N 2.79Å; S1186-R1188 PolarHBondContact OG-N 2.76Å |
| 1189 | D | 82.3 | Confident | 83.7 | Confident | 39 Ų | 39 | 56.2 Ų | 56.2 | 21% | 0.209 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -90.4 | -7.9 | -177 | -59.9 | -52.4 | 0 | 0 | 0 | 112.2 | R1031 S1186 I1187 | R1031-D1189 IonicContact CZ-OD2 3.51Å; R1031-D1189 IonicContact NE-OD1 3.58Å; R1031-D1189 IonicContact NE-OD2 2.76Å; R1031-D1189 PolarHBondContact NE-OD2 3.48Å; R1031-D1189 IonicContact NH2-OD2 3.93Å; R1031-D1189 PolarHBondContact NH2-OD2 3.05Å; S1186-D1189 WeakPolarHBondContact CB-OD2 3.38Å; S1186-D1189 PolarHBondContact N-OD2 2.96Å; S1186-D1189 WeakPolarHBondContact O-CB 3.4Å; S1186-D1189 PolarHBondContact O-N 2.7Å; S1186-D1189 PolarHBondContact OG-OD2 3.29Å; I1187-D1189 VanDerWaalsContact C-N 3.34Å |
| 1190 | I | 88 | Confident | 83.7 | Confident | 12 Ų | 12 | 60.5 Ų | 60.5 | 6% | 0.062 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 129.4 | -170.6 | -46.1 | 178.2 | 0 | 0 | 0 | 111.2 | V1192 L1204 L1209 V1234 R1235 V1236 | I1190-V1192 HydrophobicContact CG2-CG2 4.05Å; I1190-L1204 HydrophobicContact CD1-CD1 3.31Å; I1190-L1204 HydrophobicContact CD1-CD2 3.52Å; I1190-L1204 HydrophobicContact CD1-CG 3.98Å; I1190-L1209 HydrophobicContact CB-CD1 4.46Å; I1190-L1209 HydrophobicContact CD1-CD1 3.75Å; I1190-L1209 HydrophobicContact CG2-CD1 3.69Å; I1190-V1234 HydrophobicContact CG2-CG1 3.86Å; I1190-R1235 WeakPolarHBondContact CA-O 3.44Å; I1190-V1236 HydrophobicContact CB-CG2 3.96Å; I1190-V1236 HydrophobicContact CD1-CG2 4.43Å; I1190-V1236 HydrophobicContact CG1-CG2 3.56Å; I1190-V1236 HydrophobicContact CG2-CG2 3.89Å |
| 1191 | Q | 88.9 | Confident | 83.9 | Confident | 136 Ų | 136 | 59.4 Ų | 59.4 | 64% | 0.636 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 127 | 166.5 | -85.5 | -179.8 | -27.6 | 0 | 0 | 110.2 | V1234 R1235 | Q1191-V1234 WeakPolarHBondContact O-CA 3.23Å; Q1191-R1235 HydrophobicContact CB-CB 4.38Å; Q1191-R1235 PolarHBondContact N-O 3.14Å; Q1191-R1235 PolarHBondContact O-N 2.86Å |
| 1192 | V | 90.5 | Very high | 83.9 | Confident | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.024 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 129.2 | 174.6 | -175.7 | 0 | 0 | 0 | 0 | 108.7 | I1176 I1190 C1199 V1201 L1209 V1232 Q1233 V1234 | I1176-V1192 HydrophobicContact CD1-CG1 3.94Å; I1190-V1192 HydrophobicContact CG2-CG2 4.05Å; V1192-C1199 HydrophobicContact CB-CB 4.13Å; V1192-C1199 HydrophobicContact CG1-CB 3.98Å; V1192-C1199 PolarHBondContact O-N 3.07Å; V1192-V1201 HydrophobicContact CB-CG2 4.4Å; V1192-V1201 HydrophobicContact CG2-CG2 3.72Å; V1192-L1209 HydrophobicContact CG2-CD1 4.16Å; V1192-L1209 HydrophobicContact CG2-CD2 3.89Å; V1192-V1232 HydrophobicContact CG1-CG1 4.29Å; V1192-Q1233 WeakPolarHBondContact CA-O 3.34Å; V1192-V1234 HydrophobicContact CG1-CG2 4.42Å; V1192-V1234 HydrophobicContact CG2-CG1 4.39Å; V1192-V1234 HydrophobicContact CG2-CG2 4.22Å |
| 1193 | T | 89.2 | Confident | 83.9 | Confident | 44 Ų | 44 | 63 Ų | 63 | 27% | 0.27 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 139.9 | 178.1 | 48.7 | 0 | 0 | 0 | 0 | 110.7 | E1197 V1232 Q1233 | T1193-E1197 CarbonylContact C-O 3.52Å; T1193-E1197 WeakPolarHBondContact CA-O 3.05Å; T1193-V1232 CarbonylContact O-C 3.6Å; T1193-V1232 WeakPolarHBondContact O-CA 3.01Å; T1193-Q1233 PolarHBondContact N-O 2.8Å; T1193-Q1233 PolarHBondContact O-N 2.72Å |
| 1194 | I | 85.5 | Confident | 84.3 | Confident | 9 Ų | 9 | 59.4 Ų | 59.4 | 5% | 0.046 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 100.1 | 174.3 | -54.6 | 170.9 | 0 | 0 | 0 | 106.3 | L1174 S1196 E1197 C1199 P1213 V1217 R1231 V1232 L1246 | L1174-I1194 HydrophobicContact CD2-CD1 4.07Å; I1194-S1196 PolarHBondContact O-N 3.1Å; I1194-E1197 PolarHBondContact N-O 3.14Å; I1194-E1197 PolarHBondContact O-N 2.84Å; I1194-E1197 VanDerWaalsContact O-N 3.16Å; I1194-C1199 HydrophobicContact CD1-CB 4.09Å; I1194-C1199 HydrophobicContact CG1-CB 4.29Å; I1194-P1213 HydrophobicContact CD1-CB 4.09Å; I1194-P1213 HydrophobicContact CD1-CG 4.14Å; I1194-V1217 HydrophobicContact CG2-CG1 4.42Å; I1194-R1231 CarbonylContact C-O 3.53Å; I1194-R1231 WeakPolarHBondContact CA-O 3.34Å; I1194-V1232 HydrophobicContact CG1-CG2 4.32Å; I1194-V1232 HydrophobicContact CG2-CG2 4.49Å; I1194-L1246 HydrophobicContact CD1-CD2 4.3Å; I1194-L1246 HydrophobicContact CG2-CD2 4.35Å |
| 1195 | G | 79.2 | Confident | 84.8 | Confident | 43 Ų | 43 | 60.4 Ų | 60.4 | 44% | 0.443 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | -117 | -165.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | R1231 | G1195-R1231 PolarHBondContact N-O 2.94Š|
| 1196 | S | 76.3 | Confident | 84.8 | Confident | 119 Ų | 119 | 62.2 Ų | 62.2 | 83% | 0.832 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -5.2 | 176.6 | 51.8 | 0 | 0 | 0 | 0 | 114.2 | I1194 | I1194-S1196 PolarHBondContact O-N 3.1Š|
| 1197 | E | 78.1 | Confident | 84.9 | Confident | 60 Ų | 60 | 64 Ų | 64 | 28% | 0.28 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 134.1 | -174.7 | -76.7 | -89.2 | 154.2 | 0 | 0 | 111.6 | T1193 I1194 T1214 V1217 | T1193-E1197 CarbonylContact C-O 3.52Å; T1193-E1197 WeakPolarHBondContact CA-O 3.05Å; I1194-E1197 PolarHBondContact N-O 3.14Å; I1194-E1197 PolarHBondContact O-N 2.84Å; I1194-E1197 VanDerWaalsContact O-N 3.16Å; E1197-T1214 PolarHBondContact OE2-OG1 3.15Å; E1197-V1217 HydrophobicContact CB-CG2 3.78Å; E1197-V1217 HydrophobicContact CG-CG2 3.94Å |
| 1198 | P | 84.6 | Confident | 85 | Confident | 82 Ų | 82 | 64 Ų | 64 | 53% | 0.532 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 140.2 | 176.2 | 30 | -33.1 | 0 | 0 | 0 | 112 | ||
| 1199 | C | 86.3 | Confident | 85.5 | Confident | 6 Ų | 6 | 52.8 Ų | 52.8 | 4% | 0.041 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 123.4 | 174.1 | -164.9 | 0 | 0 | 0 | 0 | 110.2 | V1192 I1194 V1201 C1211 Q1212 | V1192-C1199 HydrophobicContact CB-CB 4.13Å; V1192-C1199 HydrophobicContact CG1-CB 3.98Å; V1192-C1199 PolarHBondContact O-N 3.07Å; I1194-C1199 HydrophobicContact CD1-CB 4.09Å; I1194-C1199 HydrophobicContact CG1-CB 4.29Å; C1199-V1201 PolarHBondContact O-N 3.14Å; C1199-C1211 HydrophobicContact CB-CB 3.87Å; C1199-C1211 WeakPolarHBondContact CB-SG 3.41Å; C1199-C1211 WeakPolarHBondContact SG-CB 3.35Å; C1199-C1211 CovalentContact SG-SG 2.03Å; C1199-C1211 PolarHBondContact SG-SG 3.4Å; C1199-Q1212 PolarHBondContact SG-N 3.19Å; C1199-Q1212 VanDerWaalsContact SG-N 3.44Å |
| 1200 | N | 85.8 | Confident | 85.8 | Confident | 129 Ų | 129 | 52.5 Ų | 52.5 | 69% | 0.69 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 114 | -175.7 | -113.9 | -1.8 | 0 | 0 | 0 | 110.6 | T1202 C1211 Q1212 | N1200-T1202 PolarHBondContact O-N 3.18Å; N1200-C1211 CarbonylContact O-C 3.57Å; N1200-C1211 WeakPolarHBondContact O-CA 3.37Å; N1200-Q1212 PolarHBondContact N-O 3.46Å; N1200-Q1212 PolarHBondContact O-N 3.47Å |
| 1201 | V | 88.1 | Confident | 85.9 | Confident | 22 Ų | 22 | 51.9 Ų | 51.9 | 13% | 0.133 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 123.2 | 178.5 | -176.7 | 0 | 0 | 0 | 0 | 109.9 | I1187 V1192 C1199 L1209 I1210 C1211 | I1187-V1201 HydrophobicContact CG2-CB 4.31Å; I1187-V1201 HydrophobicContact CG2-CG1 4.26Å; V1192-V1201 HydrophobicContact CB-CG2 4.4Å; V1192-V1201 HydrophobicContact CG2-CG2 3.72Å; C1199-V1201 PolarHBondContact O-N 3.14Å; V1201-L1209 HydrophobicContact CG1-CD1 3.94Å; V1201-L1209 HydrophobicContact CG1-CG 4.02Å; V1201-L1209 HydrophobicContact CG2-CD1 4.19Å; V1201-I1210 CarbonylContact C-O 3.47Å; V1201-I1210 WeakPolarHBondContact CA-O 3.5Å; V1201-C1211 HydrophobicContact CG2-CB 4.26Å |
| 1202 | T | 85.4 | Confident | 85.7 | Confident | 69 Ų | 69 | 50.5 Ų | 50.5 | 42% | 0.423 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | -27.4 | -178.3 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | N1200 I1210 Q1212 | N1200-T1202 PolarHBondContact O-N 3.18Å; T1202-I1210 PolarHBondContact N-O 3.1Å; T1202-I1210 PolarHBondContact OG1-O 3Å; T1202-Q1212 HydrophobicContact CG2-CB 4.45Å |
| 1203 | L | 86 | Confident | 85 | Confident | 79 Ų | 79 | 51.6 Ų | 51.6 | 41% | 0.414 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 138.9 | -178.9 | -168.5 | 136.2 | 0 | 0 | 0 | 111 | A1205 I1210 | L1203-A1205 HydrophobicContact CD2-CB 4.15Å; L1203-I1210 HydrophobicContact CB-CB 4.03Å; L1203-I1210 HydrophobicContact CB-CD1 4.08Å; L1203-I1210 HydrophobicContact CB-CG1 4.15Å; L1203-I1210 HydrophobicContact CD2-CD1 3.98Å; L1203-I1210 HydrophobicContact CD2-CG1 4.25Å; L1203-I1210 HydrophobicContact CG-CD1 4.48Å; L1203-I1210 PolarHBondContact N-O 2.59Å; L1203-I1210 PolarHBondContact O-N 3.06Å |
| 1204 | L | 87.6 | Confident | 84 | Confident | 28 Ų | 28 | 52 Ų | 52 | 15% | 0.147 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 107.6 | 175 | -178.6 | 67.7 | 0 | 0 | 0 | 108.5 | L1181 N1182 S1185 I1187 I1190 L1209 | L1181-L1204 HydrophobicContact CB-CD1 3.98Å; N1182-L1204 HydrophobicContact CB-CG 4.37Å; S1185-L1204 VanDerWaalsContact O-CD2 3.27Å; S1185-L1204 WeakPolarHBondContact O-CD2 3.45Å; I1187-L1204 HydrophobicContact CG1-CB 3.8Å; I1190-L1204 HydrophobicContact CD1-CD1 3.31Å; I1190-L1204 HydrophobicContact CD1-CD2 3.52Å; I1190-L1204 HydrophobicContact CD1-CG 3.98Å; L1204-L1209 HydrophobicContact CD1-CB 4.32Å; L1204-L1209 HydrophobicContact CD1-CD1 4.2Å |
| 1205 | A | 84.6 | Confident | 82.6 | Confident | 24 Ų | 24 | 61.9 Ų | 61.9 | 20% | 0.198 | 35% | 0.347 | C | S | . | . | trans | -104.7 | 177.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | L1181 L1203 T1207 Q1208 | L1181-A1205 VanDerWaalsContact CB-O 3.24Å; L1181-A1205 WeakPolarHBondContact CB-O 3.47Å; L1203-A1205 HydrophobicContact CD2-CB 4.15Å; A1205-T1207 PolarHBondContact O-N 3.29Å; A1205-Q1208 HydrophobicContact CB-CG 3.71Å; A1205-Q1208 PolarHBondContact N-O 2.82Å | ||
| 1206 | S | 81.9 | Confident | 81.4 | Confident | 47 Ų | 47 | 68.7 Ų | 68.7 | 33% | 0.329 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -63.5 | -27.5 | 178.5 | 51.1 | 0 | 0 | 0 | 0 | 114.1 | N1180 L1181 N1182 | N1180-S1206 PolarHBondContact N-O 3.32Å; L1181-S1206 PolarHBondContact N-O 2.81Å; L1181-S1206 VanDerWaalsContact N-O 3.13Å; N1182-S1206 VanDerWaalsContact CG-CA 3.5Å; N1182-S1206 PolarHBondContact ND2-N 3.43Å; N1182-S1206 WeakPolarHBondContact OD1-CA 3.34Å; N1182-S1206 WeakPolarHBondContact OD1-CB 3.44Å |
| 1207 | T | 87 | Confident | 80.2 | Confident | 78 Ų | 78 | 64 Ų | 64 | 48% | 0.479 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -121.2 | -9.9 | -174.1 | 55.3 | 0 | 0 | 0 | 0 | 115.1 | G1178 A1205 | G1178-T1207 PolarHBondContact N-O 3.11Å; G1178-T1207 CarbonylContact O-C 3.57Å; G1178-T1207 VanDerWaalsContact O-CA 3.25Å; G1178-T1207 WeakPolarHBondContact O-CA 3.33Å; A1205-T1207 PolarHBondContact O-N 3.29Å |
| 1208 | Q | 89 | Confident | 78.7 | Confident | 79 Ų | 79 | 63.9 Ų | 63.9 | 37% | 0.369 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 139.1 | -173.9 | 50.2 | -177.7 | -27.8 | 0 | 0 | 112.4 | I1175 I1176 A1205 | I1175-Q1208 HydrophobicContact CG2-CB 4.48Å; I1176-Q1208 CarbonylContact O-C 3.59Å; I1176-Q1208 WeakPolarHBondContact O-CA 3.38Å; A1205-Q1208 HydrophobicContact CB-CG 3.71Å; A1205-Q1208 PolarHBondContact N-O 2.82Å |
| 1209 | L | 91 | Very high | 76.8 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.6 | 170.8 | 171.4 | 146.1 | 0 | 0 | 0 | 108.8 | Y1159 I1176 L1181 I1190 V1192 V1201 L1204 C1211 | Y1159-L1209 HydrophobicContact CE1-CB 4.49Å; Y1159-L1209 HydrophobicContact CE1-CD1 4.2Å; I1176-L1209 HydrophobicContact CB-CB 4.35Å; I1176-L1209 HydrophobicContact CB-CD2 4.03Å; I1176-L1209 HydrophobicContact CD1-CD2 3.78Å; I1176-L1209 HydrophobicContact CG1-CD2 4.22Å; I1176-L1209 PolarHBondContact N-O 2.74Å; I1176-L1209 PolarHBondContact O-N 2.83Å; L1181-L1209 HydrophobicContact CD1-CB 4.42Å; I1190-L1209 HydrophobicContact CB-CD1 4.46Å; I1190-L1209 HydrophobicContact CD1-CD1 3.75Å; I1190-L1209 HydrophobicContact CG2-CD1 3.69Å; V1192-L1209 HydrophobicContact CG2-CD1 4.16Å; V1192-L1209 HydrophobicContact CG2-CD2 3.89Å; V1201-L1209 HydrophobicContact CG1-CD1 3.94Å; V1201-L1209 HydrophobicContact CG1-CG 4.02Å; V1201-L1209 HydrophobicContact CG2-CD1 4.19Å; L1204-L1209 HydrophobicContact CD1-CB 4.32Å; L1204-L1209 HydrophobicContact CD1-CD1 4.2Å; L1209-C1211 HydrophobicContact CD2-CB 4.28Å |
| 1210 | I | 89.8 | Confident | 74.7 | Confident | 32 Ų | 32 | 73.1 Ų | 73.1 | 16% | 0.164 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 125.8 | 177.9 | -53 | -176.7 | 0 | 0 | 0 | 108.7 | P1173 L1174 V1201 T1202 L1203 | P1173-I1210 HydrophobicContact CB-CG2 3.66Å; P1173-I1210 HydrophobicContact CG-CG2 4.49Å; L1174-I1210 WeakPolarHBondContact O-CA 3.21Å; V1201-I1210 CarbonylContact C-O 3.47Å; V1201-I1210 WeakPolarHBondContact CA-O 3.5Å; T1202-I1210 PolarHBondContact N-O 3.1Å; T1202-I1210 PolarHBondContact OG1-O 3Å; L1203-I1210 HydrophobicContact CB-CB 4.03Å; L1203-I1210 HydrophobicContact CB-CD1 4.08Å; L1203-I1210 HydrophobicContact CB-CG1 4.15Å; L1203-I1210 HydrophobicContact CD2-CD1 3.98Å; L1203-I1210 HydrophobicContact CD2-CG1 4.25Å; L1203-I1210 HydrophobicContact CG-CD1 4.48Å; L1203-I1210 PolarHBondContact N-O 2.59Å; L1203-I1210 PolarHBondContact O-N 3.06Å |
| 1211 | C | 89.6 | Confident | 72.6 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 151.9 | 173.4 | 89.1 | 0 | 0 | 0 | 0 | 111.6 | L1174 C1199 N1200 V1201 L1209 P1213 | L1174-C1211 PolarHBondContact N-O 2.69Å; L1174-C1211 PolarHBondContact O-N 2.93Å; C1199-C1211 HydrophobicContact CB-CB 3.87Å; C1199-C1211 WeakPolarHBondContact CB-SG 3.41Å; C1199-C1211 WeakPolarHBondContact SG-CB 3.35Å; C1199-C1211 CovalentContact SG-SG 2.03Å; C1199-C1211 PolarHBondContact SG-SG 3.4Å; N1200-C1211 CarbonylContact O-C 3.57Å; N1200-C1211 WeakPolarHBondContact O-CA 3.37Å; V1201-C1211 HydrophobicContact CG2-CB 4.26Å; L1209-C1211 HydrophobicContact CD2-CB 4.28Å; C1211-P1213 WeakPolarHBondContact O-CD 3.39Å |
| 1212 | Q | 84.3 | Confident | 70.5 | Confident | 106 Ų | 106 | 76.7 Ų | 76.7 | 50% | 0.495 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 109.9 | -177.5 | -130.7 | 156.2 | -7.1 | 0 | 0 | 110.2 | C1199 N1200 T1202 | C1199-Q1212 PolarHBondContact SG-N 3.19Å; C1199-Q1212 VanDerWaalsContact SG-N 3.44Å; N1200-Q1212 PolarHBondContact N-O 3.46Å; N1200-Q1212 PolarHBondContact O-N 3.47Å; T1202-Q1212 HydrophobicContact CG2-CB 4.45Å |
| 1213 | P | 76.1 | Confident | 68.4 | Low | 27 Ų | 27 | 81.2 Ų | 81.2 | 18% | 0.175 | 42% | 0.423 | C | S | . | . | trans | -63.7 | 137.5 | 178.6 | -20.2 | 31.6 | 0 | 0 | 0 | 111.4 | L1174 I1194 C1211 | L1174-P1213 HydrophobicContact CB-CG 4.18Å; I1194-P1213 HydrophobicContact CD1-CB 4.09Å; I1194-P1213 HydrophobicContact CD1-CG 4.14Å; C1211-P1213 WeakPolarHBondContact O-CD 3.39Å | ||
| 1214 | T | 67.2 | Low | 66 | Low | 54 Ų | 54 | 81 Ų | 81 | 33% | 0.331 | 44% | 0.44 | S | S | . | . | trans | -69.6 | 140.7 | 177.7 | 51.8 | 0 | 0 | 0 | 0 | 110.8 | E1197 R1216 V1217 | E1197-T1214 PolarHBondContact OE2-OG1 3.15Å; T1214-R1216 PolarHBondContact O-N 2.72Å; T1214-V1217 PolarHBondContact O-N 2.8Å | ||
| 1215 | R | 57.6 | Low | 63.6 | Low | 215 Ų | 215 | 84 Ų | 84 | 81% | 0.811 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -14.3 | 178.4 | -91 | -175.1 | 175.2 | 178 | -1.5 | 114.8 | ||
| 1216 | R | 52.8 | Low | 61.6 | Low | 187 Ų | 187 | 94 Ų | 94 | 71% | 0.706 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -32.3 | 174.2 | -75.6 | -176.1 | 175.7 | 179.3 | -1.5 | 112.5 | T1214 A1218 R1219 | T1214-R1216 PolarHBondContact O-N 2.72Å; R1216-A1218 VanDerWaalsContact C-N 3.3Å; R1216-A1218 PolarHBondContact O-N 2.83Å; R1216-R1219 PolarHBondContact O-N 3.1Å |
| 1217 | V | 52.1 | Low | 60 | Low | 21 Ų | 21 | 99 Ų | 99 | 13% | 0.127 | 53% | 0.528 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -28.9 | 176.3 | -172.6 | 0 | 0 | 0 | 0 | 111.3 | I1194 E1197 T1214 Y1248 | I1194-V1217 HydrophobicContact CG2-CG1 4.42Å; E1197-V1217 HydrophobicContact CB-CG2 3.78Å; E1197-V1217 HydrophobicContact CG-CG2 3.94Å; T1214-V1217 PolarHBondContact O-N 2.8Å; V1217-Y1248 HydrophobicContact CG1-CE2 3.98Å; V1217-Y1248 WeakPolarHBondContact CG1-OH 3.44Å |
| 1218 | A | 46.2 | Very low | 58.1 | Low | 57 Ų | 57 | 98.1 Ų | 98.1 | 47% | 0.471 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -10.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | R1216 | R1216-A1218 VanDerWaalsContact C-N 3.3Å; R1216-A1218 PolarHBondContact O-N 2.83Å |
| 1219 | R | 44.6 | Very low | 56.6 | Low | 191 Ų | 191 | 100 Ų | 100 | 72% | 0.721 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | -2.9 | -172.1 | -97.2 | -178.2 | 164.4 | 156.9 | -2.9 | 115.7 | R1216 A1221 | R1216-R1219 PolarHBondContact O-N 3.1Å; R1219-A1221 PolarHBondContact O-N 2.64Å; R1219-A1221 VanDerWaalsContact O-N 3.16Å |
| 1220 | S | 42.1 | Very low | 55.4 | Low | 91 Ų | 91 | 100.6 Ų | 100.6 | 64% | 0.636 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | 12.7 | 173.5 | -71.7 | 0 | 0 | 0 | 0 | 114 | ||
| 1221 | A | 42.6 | Very low | 55.1 | Low | 80 Ų | 80 | 105.3 Ų | 105.3 | 66% | 0.661 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -7.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | R1219 | R1219-A1221 PolarHBondContact O-N 2.64Å; R1219-A1221 VanDerWaalsContact O-N 3.16Å |
| 1222 | D | 43.6 | Very low | 55 | Low | 146 Ų | 146 | 105.3 Ų | 105.3 | 78% | 0.781 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -94.2 | 2.6 | -169.6 | -84.2 | -16 | 0 | 0 | 0 | 115.9 | ||
| 1223 | N | 41.1 | Very low | 55.3 | Low | 164 Ų | 164 | 103 Ų | 103 | 88% | 0.877 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -134.7 | 85.2 | 176.1 | -82.2 | -31.9 | 0 | 0 | 0 | 111.9 | ||
| 1224 | G | 36.1 | Very low | 56 | Low | 73 Ų | 73 | 101.7 Ų | 101.7 | 75% | 0.753 | 54% | 0.537 | S | S | * | . | S | Bend | trans | 91.8 | 84.1 | 157.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | R1226 | G1224-R1226 PolarHBondContact O-N 3.12Š|
| 1225 | G | 36.9 | Very low | 57.1 | Low | 91 Ų | 91 | 106.1 Ų | 106.1 | 94% | 0.938 | 55% | 0.547 | S | S | * | . | S | Bend | 72.9 | 1.1 | 128.2 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||
| 1226 | R | 41.3 | Very low | 58.5 | Low | 234 Ų | 234 | 95.9 Ų | 95.9 | 88% | 0.883 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -133 | 123.3 | 170.7 | -106.2 | 174.7 | 172.6 | 165 | -3.3 | 110.3 | G1224 S1228 | G1224-R1226 PolarHBondContact O-N 3.12Å; R1226-S1228 PolarHBondContact O-N 2.94Å |
| 1227 | Q | 48.5 | Very low | 59.8 | Low | 154 Ų | 154 | 88.4 Ų | 88.4 | 72% | 0.72 | 49% | 0.49 | S | S | * | . | trans | -44.2 | 122 | 174.6 | -76.8 | 171.6 | -21.2 | 0 | 0 | 109.5 | Q1229 | Q1227-Q1229 PolarHBondContact O-N 3.31Š| ||
| 1228 | S | 48.1 | Very low | 61.2 | Low | 58 Ų | 58 | 91.9 Ų | 91.9 | 41% | 0.406 | 51% | 0.508 | S | S | . | . | trans | -70.3 | 94 | -176.8 | -171.9 | 0 | 0 | 0 | 0 | 109.4 | R1226 | R1226-S1228 PolarHBondContact O-N 2.94Š| ||
| 1229 | Q | 58.1 | Low | 63 | Low | 120 Ų | 120 | 90.4 Ų | 90.4 | 56% | 0.561 | 49% | 0.491 | S | S | * | . | trans | -80.6 | 116.2 | 168.8 | -82 | 177.7 | -43.5 | 0 | 0 | 108.8 | Q1227 D1245 | Q1227-Q1229 PolarHBondContact O-N 3.31Å; Q1229-D1245 HydrophobicContact CB-CB 4.48Å; Q1229-D1245 HydrophobicContact CG-CB 4.33Å | ||
| 1230 | G | 65.8 | Low | 65.1 | Low | 12 Ų | 12 | 86.4 Ų | 86.4 | 12% | 0.124 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 116.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | L1246 | G1230-L1246 PolarHBondContact N-O 3.12Å; G1230-L1246 WeakPolarHBondContact O-CB 3.47Å; G1230-L1246 PolarHBondContact O-N 3.29Å |
| 1231 | R | 82.2 | Confident | 67.4 | Low | 131 Ų | 131 | 84.1 Ų | 84.1 | 49% | 0.494 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 127.1 | 177.1 | -178.7 | 167.2 | -87.8 | -162.7 | -7.8 | 111 | I1194 G1195 D1242 G1244 D1245 | I1194-R1231 CarbonylContact C-O 3.53Å; I1194-R1231 WeakPolarHBondContact CA-O 3.34Å; G1195-R1231 PolarHBondContact N-O 2.94Å; R1231-D1242 VanDerWaalsContact CD-OD1 3.22Å; R1231-D1242 WeakPolarHBondContact CD-OD1 3.32Å; R1231-D1242 WeakPolarHBondContact CG-OD1 3.45Å; R1231-D1242 IonicContact NE-OD1 3.17Å; R1231-D1242 IonicContact NH1-OD2 2.76Å; R1231-G1244 WeakPolarHBondContact CA-O 3.42Å; R1231-D1245 IonicContact NE-OD1 3.97Å |
| 1232 | V | 88.5 | Confident | 69.6 | Low | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 119.7 | -174.8 | -174.2 | 0 | 0 | 0 | 0 | 110.5 | F1162 L1174 I1176 V1192 T1193 I1194 L1243 G1244 L1246 | F1162-V1232 HydrophobicContact CE2-CB 3.87Å; F1162-V1232 HydrophobicContact CE2-CG2 3.69Å; F1162-V1232 HydrophobicContact CZ-CB 3.91Å; F1162-V1232 HydrophobicContact CZ-CG1 4.16Å; F1162-V1232 HydrophobicContact CZ-CG2 3.86Å; L1174-V1232 HydrophobicContact CD2-CG1 4.41Å; I1176-V1232 HydrophobicContact CD1-CG1 4.02Å; V1192-V1232 HydrophobicContact CG1-CG1 4.29Å; T1193-V1232 CarbonylContact O-C 3.6Å; T1193-V1232 WeakPolarHBondContact O-CA 3.01Å; I1194-V1232 HydrophobicContact CG1-CG2 4.32Å; I1194-V1232 HydrophobicContact CG2-CG2 4.49Å; V1232-L1243 HydrophobicContact CB-CB 4.44Å; V1232-L1243 HydrophobicContact CG1-CD1 4.09Å; V1232-L1243 PolarHBondContact O-N 2.84Å; V1232-G1244 PolarHBondContact N-O 3.28Å; V1232-L1246 HydrophobicContact CG2-CB 4.1Å |
| 1233 | Q | 90.6 | Very high | 71.7 | Confident | 57 Ų | 57 | 76.7 Ų | 76.7 | 27% | 0.266 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 140.4 | -179.6 | -68.3 | -176.7 | -16.7 | 0 | 0 | 111.5 | V1192 T1193 F1241 D1242 | V1192-Q1233 WeakPolarHBondContact CA-O 3.34Å; T1193-Q1233 PolarHBondContact N-O 2.8Å; T1193-Q1233 PolarHBondContact O-N 2.72Å; Q1233-F1241 WeakPolarHBondContact CA-O 3.48Å; Q1233-D1242 PolarHBondContact NE2-OD2 3.17Å |
| 1234 | V | 91 | Very high | 73.9 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 134.3 | 177.6 | -174.5 | 0 | 0 | 0 | 0 | 110.3 | Y1159 I1176 I1190 Q1191 V1192 H1240 F1241 L1243 | Y1159-V1234 HydrophobicContact CD1-CB 4.49Å; Y1159-V1234 HydrophobicContact CD1-CG1 4.1Å; Y1159-V1234 HydrophobicContact CD1-CG2 4.33Å; Y1159-V1234 HydrophobicContact CD2-CG1 4.16Å; Y1159-V1234 HydrophobicContact CE1-CG1 3.69Å; Y1159-V1234 HydrophobicContact CE2-CG1 3.76Å; Y1159-V1234 HydrophobicContact CG-CB 4.49Å; Y1159-V1234 HydrophobicContact CG-CG1 4.32Å; Y1159-V1234 VanDerWaalsContact CZ-CG1 3.5Å; I1176-V1234 HydrophobicContact CD1-CG2 4.12Å; I1190-V1234 HydrophobicContact CG2-CG1 3.86Å; Q1191-V1234 WeakPolarHBondContact O-CA 3.23Å; V1192-V1234 HydrophobicContact CG1-CG2 4.42Å; V1192-V1234 HydrophobicContact CG2-CG1 4.39Å; V1192-V1234 HydrophobicContact CG2-CG2 4.22Å; V1234-H1240 PolarHBondContact O-ND1 2.82Å; V1234-F1241 HydrophobicContact CB-CB 4.4Å; V1234-F1241 PolarHBondContact N-O 2.78Å; V1234-F1241 PolarHBondContact O-N 3.45Å; V1234-L1243 HydrophobicContact CG2-CD1 3.61Å; V1234-L1243 HydrophobicContact CG2-CG 4.28Å |
| 1235 | R | 90.1 | Very high | 76.1 | Confident | 147 Ų | 147 | 67.4 Ų | 67.4 | 56% | 0.555 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 126.5 | -178.9 | -158.3 | 176.6 | 178.2 | 149 | 1.4 | 111 | I1190 Q1191 | I1190-R1235 WeakPolarHBondContact CA-O 3.44Å; Q1191-R1235 HydrophobicContact CB-CB 4.38Å; Q1191-R1235 PolarHBondContact N-O 3.14Å; Q1191-R1235 PolarHBondContact O-N 2.86Å |
| 1236 | V | 87.1 | Confident | 78.1 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 109 | 180 | 161.9 | 0 | 0 | 0 | 0 | 110.3 | F1026 P1157 Y1159 I1190 N1238 L1239 | F1026-V1236 HydrophobicContact CD1-CG1 4.37Å; F1026-V1236 HydrophobicContact CE1-CG1 3.8Å; F1026-V1236 HydrophobicContact CE2-CG1 4.1Å; F1026-V1236 HydrophobicContact CZ-CG1 3.65Å; P1157-V1236 HydrophobicContact CG-CG1 3.89Å; Y1159-V1236 HydrophobicContact CE2-CG2 4.42Å; Y1159-V1236 WeakPolarHBondContact OH-CG2 3.37Å; I1190-V1236 HydrophobicContact CB-CG2 3.96Å; I1190-V1236 HydrophobicContact CD1-CG2 4.43Å; I1190-V1236 HydrophobicContact CG1-CG2 3.56Å; I1190-V1236 HydrophobicContact CG2-CG2 3.89Å; V1236-N1238 PolarHBondContact O-N 3.3Å; V1236-N1238 VanDerWaalsContact O-N 3.14Å; V1236-L1239 PolarHBondContact N-O 2.96Å; V1236-L1239 WeakPolarHBondContact O-CA 3.3Å; V1236-L1239 VanDerWaalsContact O-CB 3.31Å; V1236-L1239 WeakPolarHBondContact O-CB 3.16Å; V1236-L1239 PolarHBondContact O-N 2.93Å |
| 1237 | G | 80.5 | Confident | 79.6 | Confident | 30 Ų | 30 | 53.6 Ų | 53.6 | 31% | 0.309 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | -118.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1238 | N | 80.4 | Confident | 80.6 | Confident | 94 Ų | 94 | 49.9 Ų | 49.9 | 50% | 0.503 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -3.8 | 174.3 | -67.4 | -24.4 | 0 | 0 | 0 | 114.4 | S1028 G1029 V1236 | S1028-N1238 PolarHBondContact O-ND2 3.42Å; G1029-N1238 WeakPolarHBondContact O-CB 3.26Å; G1029-N1238 PolarHBondContact O-N 3.03Å; G1029-N1238 PolarHBondContact O-ND2 2.89Å; V1236-N1238 PolarHBondContact O-N 3.3Å; V1236-N1238 VanDerWaalsContact O-N 3.14Å |
| 1239 | L | 84.1 | Confident | 81.1 | Confident | 25 Ų | 25 | 52.1 Ų | 52.1 | 13% | 0.131 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 142.6 | -178.2 | -62.9 | 163.5 | 0 | 0 | 0 | 111.6 | F1026 S1028 D1156 P1157 V1236 F1241 | F1026-L1239 HydrophobicContact CD2-CD1 4.1Å; S1028-L1239 WeakPolarHBondContact OG-CD2 3.46Å; D1156-L1239 HydrophobicContact CB-CD1 3.91Å; P1157-L1239 HydrophobicContact CG-CD1 3.81Å; V1236-L1239 PolarHBondContact N-O 2.96Å; V1236-L1239 WeakPolarHBondContact O-CA 3.3Å; V1236-L1239 VanDerWaalsContact O-CB 3.31Å; V1236-L1239 WeakPolarHBondContact O-CB 3.16Å; V1236-L1239 PolarHBondContact O-N 2.93Å; L1239-F1241 HydrophobicContact CB-CE2 3.67Å; L1239-F1241 HydrophobicContact CB-CZ 4.23Å; L1239-F1241 HydrophobicContact CD1-CE2 4.45Å; L1239-F1241 HydrophobicContact CD2-CZ 4.46Å; L1239-F1241 HydrophobicContact CG-CE2 4.5Å |
| 1240 | H | 88.4 | Confident | 80.7 | Confident | 107 Ų | 107 | 51.6 Ų | 51.6 | 50% | 0.495 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 127.8 | 179.3 | -167.6 | 1.7 | 0 | 0 | 0 | 110.1 | V1234 | V1234-H1240 PolarHBondContact O-ND1 2.82Å |
| 1241 | F | 89.7 | Confident | 79.6 | Confident | 43 Ų | 43 | 57.1 Ų | 57.1 | 19% | 0.189 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 140.4 | -179.7 | -57.5 | -91.4 | 0 | 0 | 0 | 110.3 | P1157 Y1159 Q1233 V1234 L1239 L1243 | P1157-F1241 WeakPolarHBondContact O-CZ 3.34Å; Y1159-F1241 HydrophobicContact CD2-CD1 4.33Å; Y1159-F1241 AromaticContact CD2-CD2 3.37Å; Y1159-F1241 HydrophobicContact CD2-CD2 3.37Å; Y1159-F1241 HydrophobicContact CD2-CE1 4.45Å; Y1159-F1241 AromaticContact CD2-CE2 3.5Å; Y1159-F1241 HydrophobicContact CD2-CE2 3.5Å; Y1159-F1241 AromaticContact CD2-CG 3.82Å; Y1159-F1241 HydrophobicContact CD2-CG 3.82Å; Y1159-F1241 HydrophobicContact CD2-CZ 4.07Å; Y1159-F1241 AromaticContact CE2-CD2 3.93Å; Y1159-F1241 HydrophobicContact CE2-CD2 3.93Å; Y1159-F1241 AromaticContact CE2-CE2 3.88Å; Y1159-F1241 HydrophobicContact CE2-CE2 3.88Å; Y1159-F1241 HydrophobicContact CG-CD2 4.3Å; Y1159-F1241 HydrophobicContact CG-CG 4.38Å; Q1233-F1241 WeakPolarHBondContact CA-O 3.48Å; V1234-F1241 HydrophobicContact CB-CB 4.4Å; V1234-F1241 PolarHBondContact N-O 2.78Å; V1234-F1241 PolarHBondContact O-N 3.45Å; L1239-F1241 HydrophobicContact CB-CE2 3.67Å; L1239-F1241 HydrophobicContact CB-CZ 4.23Å; L1239-F1241 HydrophobicContact CD1-CE2 4.45Å; L1239-F1241 HydrophobicContact CD2-CZ 4.46Å; L1239-F1241 HydrophobicContact CG-CE2 4.5Å; F1241-L1243 HydrophobicContact CB-CD2 4.18Å |
| 1242 | D | 88.9 | Confident | 77.5 | Confident | 68 Ų | 68 | 56.4 Ų | 56.4 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 103.4 | 178.9 | -156.1 | -14.6 | 0 | 0 | 0 | 107.9 | R1231 Q1233 | R1231-D1242 VanDerWaalsContact CD-OD1 3.22Å; R1231-D1242 WeakPolarHBondContact CD-OD1 3.32Å; R1231-D1242 WeakPolarHBondContact CG-OD1 3.45Å; R1231-D1242 IonicContact NE-OD1 3.17Å; R1231-D1242 IonicContact NH1-OD2 2.76Å; Q1233-D1242 PolarHBondContact NE2-OD2 3.17Å |
| 1243 | L | 88.5 | Confident | 74.8 | Confident | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -18.7 | -160.8 | -56.8 | 177.7 | 0 | 0 | 0 | 114.3 | F1162 I1176 V1232 V1234 F1241 | F1162-L1243 HydrophobicContact CD2-CB 4.49Å; F1162-L1243 WeakPolarHBondContact CD2-O 3.48Å; F1162-L1243 HydrophobicContact CE1-CB 4.24Å; F1162-L1243 HydrophobicContact CE2-CB 4.16Å; F1162-L1243 WeakPolarHBondContact CG-O 3.3Å; F1162-L1243 HydrophobicContact CZ-CB 4.03Å; F1162-L1243 HydrophobicContact CZ-CD1 4.48Å; F1162-L1243 PolarHBondContact N-O 3.2Å; I1176-L1243 HydrophobicContact CB-CD1 4.48Å; I1176-L1243 HydrophobicContact CD1-CD1 3.86Å; I1176-L1243 HydrophobicContact CG1-CD1 4.15Å; I1176-L1243 HydrophobicContact CG2-CD1 3.52Å; V1232-L1243 HydrophobicContact CB-CB 4.44Å; V1232-L1243 HydrophobicContact CG1-CD1 4.09Å; V1232-L1243 PolarHBondContact O-N 2.84Å; V1234-L1243 HydrophobicContact CG2-CD1 3.61Å; V1234-L1243 HydrophobicContact CG2-CG 4.28Å; F1241-L1243 HydrophobicContact CB-CD2 4.18Å |
| 1244 | G | 86.4 | Confident | 72 | Confident | 11 Ų | 11 | 68.2 Ų | 68.2 | 11% | 0.113 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 123.7 | -172.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | G1165 R1231 V1232 | G1165-G1244 CarbonylContact O-C 3.33Å; G1165-G1244 VanDerWaalsContact O-CA 3.31Å; G1165-G1244 WeakPolarHBondContact O-CA 3.44Å; R1231-G1244 WeakPolarHBondContact CA-O 3.42Å; V1232-G1244 PolarHBondContact N-O 3.28Å |
| 1245 | D | 82.2 | Confident | 69.2 | Low | 32 Ų | 32 | 73.5 Ų | 73.5 | 17% | 0.171 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 141.2 | -173.4 | -62.8 | -32.8 | 0 | 0 | 0 | 112.9 | G1165 V1166 R1167 Q1229 R1231 | G1165-D1245 PolarHBondContact O-N 2.98Å; V1166-D1245 CarbonylContact C-O 3.54Å; V1166-D1245 VanDerWaalsContact CA-O 3.3Å; V1166-D1245 WeakPolarHBondContact CA-O 3.47Å; R1167-D1245 PolarHBondContact N-O 3.43Å; Q1229-D1245 HydrophobicContact CB-CB 4.48Å; Q1229-D1245 HydrophobicContact CG-CB 4.33Å; R1231-D1245 IonicContact NE-OD1 3.97Å |
| 1246 | L | 80.3 | Confident | 66.6 | Low | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 128.1 | 176.8 | -162 | 79.4 | 0 | 0 | 0 | 111.5 | R1167 H1169 L1174 I1194 G1230 V1232 Y1248 | R1167-L1246 HydrophobicContact CB-CD1 4.35Å; R1167-L1246 WeakPolarHBondContact O-CA 3.13Å; H1169-L1246 HydrophobicContact CB-CD1 3.98Å; H1169-L1246 HydrophobicContact CB-CD2 4.41Å; H1169-L1246 HydrophobicContact CB-CG 4.14Å; L1174-L1246 HydrophobicContact CD1-CD1 3.62Å; L1174-L1246 HydrophobicContact CD2-CD1 4.49Å; I1194-L1246 HydrophobicContact CD1-CD2 4.3Å; I1194-L1246 HydrophobicContact CG2-CD2 4.35Å; G1230-L1246 PolarHBondContact N-O 3.12Å; G1230-L1246 WeakPolarHBondContact O-CB 3.47Å; G1230-L1246 PolarHBondContact O-N 3.29Å; V1232-L1246 HydrophobicContact CG2-CB 4.1Å; L1246-Y1248 HydrophobicContact CD2-CE2 4.09Å |
| 1247 | I | 72.9 | Confident | 64.1 | Low | 35 Ų | 35 | 78.8 Ų | 78.8 | 18% | 0.179 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 131.7 | 179.3 | -58.3 | -178.6 | 0 | 0 | 0 | 111 | V1166 R1167 T1168 H1169 | V1166-I1247 HydrophobicContact CG1-CD1 3.28Å; V1166-I1247 HydrophobicContact CG1-CG1 3.71Å; R1167-I1247 PolarHBondContact O-N 2.91Å; T1168-I1247 CarbonylContact C-O 3.6Å; T1168-I1247 WeakPolarHBondContact CA-O 3.23Å; T1168-I1247 HydrophobicContact CG2-CB 4.2Å; T1168-I1247 HydrophobicContact CG2-CG2 4.28Å; H1169-I1247 PolarHBondContact N-O 2.97Å |
| 1248 | Y | 68.3 | Low | 61.9 | Low | 75 Ų | 75 | 86.1 Ų | 86.1 | 29% | 0.294 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 132.1 | 178.4 | -70.7 | -91.9 | 0 | 0 | 0 | 112.8 | H1169 V1217 L1246 | H1169-Y1248 AromaticContact CD2-CE1 3.9Å; V1217-Y1248 HydrophobicContact CG1-CE2 3.98Å; V1217-Y1248 WeakPolarHBondContact CG1-OH 3.44Å; L1246-Y1248 HydrophobicContact CD2-CE2 4.09Å |
| 1249 | E | 59 | Low | 59.7 | Low | 105 Ų | 105 | 85.3 Ų | 85.3 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -93.2 | 128.6 | 178.2 | -122.2 | -177.6 | -172.9 | 0 | 0 | 112 | H1169 R1170 | H1169-E1249 PolarHBondContact O-N 2.8Å; R1170-E1249 HydrophobicContact CG-CB 4.27Å; R1170-E1249 IonicContact CZ-OE2 3.53Å; R1170-E1249 IonicContact NE-OE2 2.72Å; R1170-E1249 PolarHBondContact NE-OE2 3.08Å; R1170-E1249 IonicContact NH2-OE1 3.96Å; R1170-E1249 IonicContact NH2-OE2 2.74Å; R1170-E1249 PolarHBondContact NH2-OE2 2.86Å |
| 1250 | S | 50 | Low | 57.6 | Low | 109 Ų | 109 | 91.2 Ų | 91.2 | 76% | 0.762 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -88 | 140.9 | 176 | 44.1 | 0 | 0 | 0 | 0 | 112.2 | S1252 | S1250-S1252 PolarHBondContact O-N 3.33Š|
| 1251 | P | 42.1 | Very low | 55.2 | Low | 128 Ų | 128 | 94 Ų | 94 | 83% | 0.831 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -79 | 119.7 | 178.3 | 19.7 | -11.6 | 0 | 0 | 0 | 111.1 | ||
| 1252 | S | 38.3 | Very low | 52.6 | Low | 117 Ų | 117 | 95.6 Ų | 95.6 | 82% | 0.818 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 126.3 | 171.4 | 44.9 | 0 | 0 | 0 | 0 | 111.6 | S1250 | S1250-S1252 PolarHBondContact O-N 3.33Š|
| 1253 | T | 31.1 | Very low | 50.2 | Low | 136 Ų | 136 | 95.7 Ų | 95.7 | 83% | 0.834 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 125.9 | 167.9 | 42.4 | 0 | 0 | 0 | 0 | 110.2 | ||
| 1254 | D | 33.7 | Very low | 47.9 | Very low | 168 Ų | 168 | 103.9 Ų | 103.9 | 90% | 0.898 | 64% | 0.635 | S | S | * | * | trans | -131.6 | 126.3 | 166.4 | -111.1 | -20.8 | 0 | 0 | 0 | 111.3 | ||||
| 1255 | S | 32 | Very low | 45.9 | Very low | 111 Ų | 111 | 109.1 Ų | 109.1 | 78% | 0.776 | 67% | 0.665 | S | S | * | * | trans | -130.1 | 132.2 | -175.9 | 58.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 1256 | S | 35 | Very low | 44 | Very low | 105 Ų | 105 | 110.9 Ų | 110.9 | 73% | 0.734 | 69% | 0.691 | S | S | * | * | trans | -170.4 | 114.5 | 154.5 | 53 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1257 | N | 34.6 | Very low | 42.6 | Very low | 153 Ų | 153 | 113.1 Ų | 113.1 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | 85 | 121.7 | 93.6 | -72.8 | -16.3 | 0 | 0 | 0 | 114.9 | |||||
| 1258 | M | 34.1 | Very low | 41.8 | Very low | 185 Ų | 185 | 118 Ų | 118 | 91% | 0.911 | 74% | 0.738 | S | S | * | * | -177.7 | 131.3 | 111.2 | -92.3 | -65 | -86.2 | 0 | 0 | 111.8 | |||||
| 1259 | A | 33.8 | Very low | 41.3 | Very low | 76 Ų | 76 | 118.1 Ų | 118.1 | 63% | 0.628 | 75% | 0.749 | S | S | * | * | trans | -95.9 | 157.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1260 | L | 41.3 | Very low | 41.4 | Very low | 149 Ų | 149 | 115.2 Ų | 115.2 | 78% | 0.78 | 74% | 0.741 | S | S | * | * | 173.4 | 119.2 | 119.1 | -118.4 | 91.2 | 0 | 0 | 0 | 114 | |||||
| 1261 | L | 37.8 | Very low | 42.1 | Very low | 165 Ų | 165 | 115.7 Ų | 115.7 | 86% | 0.864 | 73% | 0.734 | S | S | * | * | 47.4 | 129.3 | 122.4 | -85 | 141.2 | 0 | 0 | 0 | 122.8 | |||||
| 1262 | G | 35.2 | Very low | 43.4 | Very low | 77 Ų | 77 | 114.3 Ų | 114.3 | 79% | 0.794 | 72% | 0.719 | S | S | * | * | trans | 133 | 94.3 | 131 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1263 | G | 36.9 | Very low | 44.8 | Very low | 71 Ų | 71 | 115.4 Ų | 115.4 | 73% | 0.732 | 71% | 0.71 | S | S | * | * | trans | -86.3 | 155.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1264 | L | 40.4 | Very low | 46.8 | Very low | 173 Ų | 173 | 114 Ų | 114 | 91% | 0.906 | 70% | 0.696 | S | S | * | * | trans | 159.6 | 83.9 | 149.8 | -91.5 | 158 | 0 | 0 | 0 | 112.4 | ||||
| 1265 | V | 44.2 | Very low | 49 | Very low | 122 Ų | 122 | 110 Ų | 110 | 74% | 0.739 | 68% | 0.677 | S | S | * | * | trans | -156.4 | 78.7 | 143.7 | -171.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1266 | G | 43 | Very low | 51.2 | Low | 69 Ų | 69 | 109.6 Ų | 109.6 | 71% | 0.711 | 67% | 0.665 | S | S | * | * | trans | -97.1 | 26.3 | -159.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | S1270 | G1266-S1270 PolarHBondContact O-OG 3.45Š| ||
| 1267 | G | 51.3 | Low | 53.1 | Low | 47 Ų | 47 | 107.2 Ų | 107.2 | 49% | 0.485 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -112.5 | -51.4 | -177 | 0 | 0 | 0 | 0 | 0 | 115.9 | S1270 | G1267-S1270 VanDerWaalsContact C-OG 3.28Å; G1267-S1270 WeakPolarHBondContact CA-OG 3.25Å; G1267-S1270 PolarHBondContact O-OG 2.93Å |
| 1268 | I | 56.4 | Low | 55.1 | Low | 136 Ų | 136 | 103 Ų | 103 | 70% | 0.697 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -98.7 | -34.4 | -176.9 | -63.8 | 168.8 | 0 | 0 | 0 | 110.3 | S1270 L1271 L1272 | I1268-S1270 VanDerWaalsContact C-N 3.25Å; I1268-S1270 PolarHBondContact O-N 3Å; I1268-L1271 PolarHBondContact O-N 2.85Å; I1268-L1272 HydrophobicContact CG2-CD1 4.42Å; I1268-L1272 PolarHBondContact O-N 2.99Å |
| 1269 | C | 56.8 | Low | 57.2 | Low | 78 Ų | 78 | 96.5 Ų | 96.5 | 53% | 0.527 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66 | -26 | 170 | -64.4 | 0 | 0 | 0 | 0 | 112.2 | F1273 | C1269-F1273 WeakPolarHBondContact O-CA 3.45Å; C1269-F1273 WeakPolarHBondContact O-CB 3.47Å; C1269-F1273 PolarHBondContact O-N 2.74Å |
| 1270 | S | 60.7 | Low | 59.2 | Low | 44 Ų | 44 | 94.8 Ų | 94.8 | 31% | 0.308 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -74.4 | -35.5 | 175.3 | 42.4 | 0 | 0 | 0 | 0 | 112.3 | G1266 G1267 I1268 I1274 | G1266-S1270 PolarHBondContact O-OG 3.45Å; G1267-S1270 VanDerWaalsContact C-OG 3.28Å; G1267-S1270 WeakPolarHBondContact CA-OG 3.25Å; G1267-S1270 PolarHBondContact O-OG 2.93Å; I1268-S1270 VanDerWaalsContact C-N 3.25Å; I1268-S1270 PolarHBondContact O-N 3Å; S1270-I1274 VanDerWaalsContact O-CB 3.27Å; S1270-I1274 WeakPolarHBondContact O-CB 3.43Å; S1270-I1274 WeakPolarHBondContact O-CD1 3.43Å; S1270-I1274 WeakPolarHBondContact O-CG1 3.31Å; S1270-I1274 PolarHBondContact O-N 2.85Å |
| 1271 | L | 65.3 | Low | 60.9 | Low | 119 Ų | 119 | 91.6 Ų | 91.6 | 62% | 0.623 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -72.9 | -43.6 | 171.5 | -91.7 | 159.5 | 0 | 0 | 0 | 112.3 | I1268 F1273 I1274 V1275 | I1268-L1271 PolarHBondContact O-N 2.85Å; L1271-F1273 VanDerWaalsContact C-N 3.34Å; L1271-I1274 PolarHBondContact O-N 2.88Å; L1271-V1275 WeakPolarHBondContact O-CB 3.28Å; L1271-V1275 VanDerWaalsContact O-CG2 3.3Å; L1271-V1275 WeakPolarHBondContact O-CG2 3.46Å; L1271-V1275 PolarHBondContact O-N 2.99Å |
| 1272 | L | 69.5 | Low | 62.7 | Low | 100 Ų | 100 | 91.3 Ų | 91.3 | 52% | 0.524 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.2 | -33.8 | 172.9 | -85.6 | 166.6 | 0 | 0 | 0 | 112.2 | I1268 V1275 I1276 | I1268-L1272 HydrophobicContact CG2-CD1 4.42Å; I1268-L1272 PolarHBondContact O-N 2.99Å; L1272-V1275 PolarHBondContact O-N 3.07Å; L1272-I1276 WeakPolarHBondContact O-CB 3.31Å; L1272-I1276 WeakPolarHBondContact O-CD1 3.44Å; L1272-I1276 WeakPolarHBondContact O-CG1 3.35Å; L1272-I1276 PolarHBondContact O-N 3.25Å |
| 1273 | F | 68.4 | Low | 64.6 | Low | 140 Ų | 140 | 96.9 Ų | 96.9 | 61% | 0.614 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -73.9 | -33.6 | 172.9 | -173 | -102.3 | 0 | 0 | 0 | 111.2 | C1269 L1271 V1277 | C1269-F1273 WeakPolarHBondContact O-CA 3.45Å; C1269-F1273 WeakPolarHBondContact O-CB 3.47Å; C1269-F1273 PolarHBondContact O-N 2.74Å; L1271-F1273 VanDerWaalsContact C-N 3.34Å; F1273-V1277 HydrophobicContact CD1-CG2 3.67Å; F1273-V1277 HydrophobicContact CD2-CG2 4Å; F1273-V1277 HydrophobicContact CE1-CG2 3.47Å; F1273-V1277 VanDerWaalsContact CE1-CG2 3.47Å; F1273-V1277 HydrophobicContact CE2-CG2 3.8Å; F1273-V1277 HydrophobicContact CG-CG2 3.93Å; F1273-V1277 HydrophobicContact CZ-CG2 3.54Å; F1273-V1277 WeakPolarHBondContact O-CA 3.38Å; F1273-V1277 WeakPolarHBondContact O-CB 3.39Å; F1273-V1277 WeakPolarHBondContact O-CG2 3.5Å; F1273-V1277 PolarHBondContact O-N 3.41Å |
| 1274 | I | 73.1 | Confident | 66.3 | Low | 107 Ų | 107 | 102.7 Ų | 102.7 | 55% | 0.549 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69.6 | -35.9 | 170.6 | -72 | 164 | 0 | 0 | 0 | 110.5 | S1270 L1271 S1278 | S1270-I1274 VanDerWaalsContact O-CB 3.27Å; S1270-I1274 WeakPolarHBondContact O-CB 3.43Å; S1270-I1274 WeakPolarHBondContact O-CD1 3.43Å; S1270-I1274 WeakPolarHBondContact O-CG1 3.31Å; S1270-I1274 PolarHBondContact O-N 2.85Å; L1271-I1274 PolarHBondContact O-N 2.88Å; I1274-S1278 WeakPolarHBondContact O-CA 3.32Å; I1274-S1278 WeakPolarHBondContact O-CB 3.38Å; I1274-S1278 PolarHBondContact O-N 2.78Å; I1274-S1278 PolarHBondContact O-OG 3.46Å |
| 1275 | V | 79 | Confident | 67.9 | Low | 83 Ų | 83 | 100.8 Ų | 100.8 | 50% | 0.503 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -71.5 | -39.9 | 173.7 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | L1271 L1272 S1278 A1279 | L1271-V1275 WeakPolarHBondContact O-CB 3.28Å; L1271-V1275 VanDerWaalsContact O-CG2 3.3Å; L1271-V1275 WeakPolarHBondContact O-CG2 3.46Å; L1271-V1275 PolarHBondContact O-N 2.99Å; L1272-V1275 PolarHBondContact O-N 3.07Å; V1275-S1278 WeakPolarHBondContact CA-OG 3.31Å; V1275-S1278 PolarHBondContact O-OG 3.25Å; V1275-A1279 WeakPolarHBondContact O-CA 3.29Å; V1275-A1279 WeakPolarHBondContact O-CB 3.32Å; V1275-A1279 PolarHBondContact O-N 3.33Å |
| 1276 | I | 78.1 | Confident | 69.4 | Low | 103 Ų | 103 | 100.4 Ų | 100.4 | 53% | 0.528 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -74.9 | -33 | 176.5 | -69.7 | 165.7 | 0 | 0 | 0 | 110.9 | L1272 A1280 | L1272-I1276 WeakPolarHBondContact O-CB 3.31Å; L1272-I1276 WeakPolarHBondContact O-CD1 3.44Å; L1272-I1276 WeakPolarHBondContact O-CG1 3.35Å; L1272-I1276 PolarHBondContact O-N 3.25Å; I1276-A1280 VanDerWaalsContact O-CA 3.31Å; I1276-A1280 WeakPolarHBondContact O-CA 3.23Å; I1276-A1280 WeakPolarHBondContact O-CB 3.49Å; I1276-A1280 PolarHBondContact O-N 3.27Å |
| 1277 | V | 75.7 | Confident | 70.8 | Confident | 55 Ų | 55 | 99.9 Ų | 99.9 | 33% | 0.333 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -77.9 | -36.6 | 173.5 | 171.2 | 0 | 0 | 0 | 0 | 110 | F1273 A1280 V1281 | F1273-V1277 HydrophobicContact CD1-CG2 3.67Å; F1273-V1277 HydrophobicContact CD2-CG2 4Å; F1273-V1277 HydrophobicContact CE1-CG2 3.47Å; F1273-V1277 VanDerWaalsContact CE1-CG2 3.47Å; F1273-V1277 HydrophobicContact CE2-CG2 3.8Å; F1273-V1277 HydrophobicContact CG-CG2 3.93Å; F1273-V1277 HydrophobicContact CZ-CG2 3.54Å; F1273-V1277 WeakPolarHBondContact O-CA 3.38Å; F1273-V1277 WeakPolarHBondContact O-CB 3.39Å; F1273-V1277 WeakPolarHBondContact O-CG2 3.5Å; F1273-V1277 PolarHBondContact O-N 3.41Å; V1277-A1280 CarbonylContact O-C 3.59Å; V1277-A1280 PolarHBondContact O-N 2.85Å; V1277-V1281 HydrophobicContact CG1-CG2 3.87Å; V1277-V1281 WeakPolarHBondContact O-CA 3.44Å; V1277-V1281 WeakPolarHBondContact O-CB 3.29Å; V1277-V1281 WeakPolarHBondContact O-CG2 3.38Å; V1277-V1281 PolarHBondContact O-N 3.34Å |
| 1278 | S | 75.3 | Confident | 71.6 | Confident | 65 Ų | 65 | 104.2 Ų | 104.2 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -73 | -35.5 | 172.3 | 61.6 | 0 | 0 | 0 | 0 | 111.2 | I1274 V1275 W1282 | I1274-S1278 WeakPolarHBondContact O-CA 3.32Å; I1274-S1278 WeakPolarHBondContact O-CB 3.38Å; I1274-S1278 PolarHBondContact O-N 2.78Å; I1274-S1278 PolarHBondContact O-OG 3.46Å; V1275-S1278 WeakPolarHBondContact CA-OG 3.31Å; V1275-S1278 PolarHBondContact O-OG 3.25Å; S1278-W1282 WeakPolarHBondContact O-CA 3.42Å; S1278-W1282 WeakPolarHBondContact O-CB 3.21Å; S1278-W1282 PolarHBondContact O-N 2.78Å |
| 1279 | A | 78.8 | Confident | 72.4 | Confident | 47 Ų | 47 | 102.1 Ų | 102.1 | 39% | 0.388 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.6 | -40.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | V1275 W1282 W1283 | V1275-A1279 WeakPolarHBondContact O-CA 3.29Å; V1275-A1279 WeakPolarHBondContact O-CB 3.32Å; V1275-A1279 PolarHBondContact O-N 3.33Å; A1279-W1282 CarbonylContact O-C 3.54Å; A1279-W1282 PolarHBondContact O-N 3.34Å; A1279-W1283 WeakPolarHBondContact O-CA 3.13Å; A1279-W1283 WeakPolarHBondContact O-CB 3.22Å; A1279-W1283 PolarHBondContact O-N 2.62Å |
| 1280 | A | 76 | Confident | 73 | Confident | 41 Ų | 41 | 101 Ų | 101 | 34% | 0.339 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -77.3 | -24.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1276 V1277 R1284 | I1276-A1280 VanDerWaalsContact O-CA 3.31Å; I1276-A1280 WeakPolarHBondContact O-CA 3.23Å; I1276-A1280 WeakPolarHBondContact O-CB 3.49Å; I1276-A1280 PolarHBondContact O-N 3.27Å; V1277-A1280 CarbonylContact O-C 3.59Å; V1277-A1280 PolarHBondContact O-N 2.85Å; A1280-R1284 WeakPolarHBondContact O-CA 3.23Å; A1280-R1284 WeakPolarHBondContact O-CB 3.31Å; A1280-R1284 WeakPolarHBondContact O-CG 3.44Å; A1280-R1284 PolarHBondContact O-N 3.41Å |
| 1281 | V | 76.3 | Confident | 73.6 | Confident | 82 Ų | 82 | 103.1 Ų | 103.1 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -79.4 | -36 | 169.6 | 168.1 | 0 | 0 | 0 | 0 | 108.8 | V1277 R1284 K1285 | V1277-V1281 HydrophobicContact CG1-CG2 3.87Å; V1277-V1281 WeakPolarHBondContact O-CA 3.44Å; V1277-V1281 WeakPolarHBondContact O-CB 3.29Å; V1277-V1281 WeakPolarHBondContact O-CG2 3.38Å; V1277-V1281 PolarHBondContact O-N 3.34Å; V1281-R1284 CarbonylContact O-C 3.56Å; V1281-K1285 WeakPolarHBondContact O-CA 3.19Å; V1281-K1285 WeakPolarHBondContact O-CB 3.27Å; V1281-K1285 PolarHBondContact O-N 2.89Å |
| 1282 | W | 76.9 | Confident | 73.9 | Confident | 159 Ų | 159 | 102.9 Ų | 102.9 | 60% | 0.602 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -72 | -37.1 | 172.6 | -174.5 | 77 | 0 | 0 | 0 | 110.9 | S1278 A1279 K1285 K1286 | S1278-W1282 WeakPolarHBondContact O-CA 3.42Å; S1278-W1282 WeakPolarHBondContact O-CB 3.21Å; S1278-W1282 PolarHBondContact O-N 2.78Å; A1279-W1282 CarbonylContact O-C 3.54Å; A1279-W1282 PolarHBondContact O-N 3.34Å; W1282-K1285 PolarHBondContact O-N 2.64Å; W1282-K1286 HydrophobicContact CH2-CD 4.06Å; W1282-K1286 HydrophobicContact CZ2-CD 4.15Å; W1282-K1286 HydrophobicContact CZ3-CD 4.34Å; W1282-K1286 WeakPolarHBondContact O-CA 3.04Å; W1282-K1286 WeakPolarHBondContact O-CB 3.13Å; W1282-K1286 PolarHBondContact O-N 3.44Å |
| 1283 | W | 74.7 | Confident | 74.1 | Confident | 194 Ų | 194 | 103.9 Ų | 103.9 | 74% | 0.735 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -75.9 | -35.4 | 174.4 | -140.4 | 56.1 | 0 | 0 | 0 | 110.2 | A1279 S1287 | A1279-W1283 WeakPolarHBondContact O-CA 3.13Å; A1279-W1283 WeakPolarHBondContact O-CB 3.22Å; A1279-W1283 PolarHBondContact O-N 2.62Å; W1283-S1287 WeakPolarHBondContact O-CA 3.43Å; W1283-S1287 WeakPolarHBondContact O-CB 3.47Å; W1283-S1287 PolarHBondContact O-N 3.09Å; W1283-S1287 PolarHBondContact O-OG 3.22Å |
| 1284 | R | 73.1 | Confident | 74.3 | Confident | 193 Ų | 193 | 104.6 Ų | 104.6 | 73% | 0.728 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.8 | -33.6 | 167.6 | -82.4 | -179.8 | 171.5 | 176.4 | -1.1 | 112.2 | A1280 V1281 S1287 W1288 | A1280-R1284 WeakPolarHBondContact O-CA 3.23Å; A1280-R1284 WeakPolarHBondContact O-CB 3.31Å; A1280-R1284 WeakPolarHBondContact O-CG 3.44Å; A1280-R1284 PolarHBondContact O-N 3.41Å; V1281-R1284 CarbonylContact O-C 3.56Å; R1284-S1287 VanDerWaalsContact CA-OG 3.31Å; R1284-S1287 WeakPolarHBondContact CA-OG 3.48Å; R1284-S1287 PolarHBondContact O-OG 2.81Å; R1284-W1288 WeakPolarHBondContact O-CA 3.28Å; R1284-W1288 WeakPolarHBondContact O-CB 3.23Å; R1284-W1288 PolarHBondContact O-N 2.86Å |
| 1285 | K | 73.7 | Confident | 74.4 | Confident | 133 Ų | 133 | 106.5 Ų | 106.5 | 58% | 0.578 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -78.6 | -35.6 | 178.5 | -168.3 | 176.2 | -174.2 | -179.5 | 0 | 110.4 | V1281 W1282 L1289 | V1281-K1285 WeakPolarHBondContact O-CA 3.19Å; V1281-K1285 WeakPolarHBondContact O-CB 3.27Å; V1281-K1285 PolarHBondContact O-N 2.89Å; W1282-K1285 PolarHBondContact O-N 2.64Å; K1285-L1289 HydrophobicContact CG-CD1 4.39Å; K1285-L1289 VanDerWaalsContact O-CB 3.23Å; K1285-L1289 WeakPolarHBondContact O-CB 3.24Å; K1285-L1289 WeakPolarHBondContact O-CD1 3.42Å; K1285-L1289 VanDerWaalsContact O-CG 3.3Å; K1285-L1289 WeakPolarHBondContact O-CG 3.39Å; K1285-L1289 PolarHBondContact O-N 2.83Å |
| 1286 | K | 75.5 | Confident | 74.3 | Confident | 114 Ų | 114 | 110.5 Ų | 110.5 | 50% | 0.496 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -76 | -37.9 | 172.9 | -169.9 | 174 | -176 | 177.2 | 0 | 111.4 | W1282 L1289 A1290 | W1282-K1286 HydrophobicContact CH2-CD 4.06Å; W1282-K1286 HydrophobicContact CZ2-CD 4.15Å; W1282-K1286 HydrophobicContact CZ3-CD 4.34Å; W1282-K1286 WeakPolarHBondContact O-CA 3.04Å; W1282-K1286 WeakPolarHBondContact O-CB 3.13Å; W1282-K1286 PolarHBondContact O-N 3.44Å; K1286-L1289 PolarHBondContact O-N 2.81Å; K1286-A1290 WeakPolarHBondContact O-CB 3.12Å; K1286-A1290 PolarHBondContact O-N 3.1Å |
| 1287 | S | 71.3 | Confident | 74 | Confident | 57 Ų | 57 | 110 Ų | 110 | 40% | 0.399 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.8 | -38.1 | 170.3 | 76.3 | 0 | 0 | 0 | 0 | 110.1 | W1283 R1284 A1290 E1291 | W1283-S1287 WeakPolarHBondContact O-CA 3.43Å; W1283-S1287 WeakPolarHBondContact O-CB 3.47Å; W1283-S1287 PolarHBondContact O-N 3.09Å; W1283-S1287 PolarHBondContact O-OG 3.22Å; R1284-S1287 VanDerWaalsContact CA-OG 3.31Å; R1284-S1287 WeakPolarHBondContact CA-OG 3.48Å; R1284-S1287 PolarHBondContact O-OG 2.81Å; S1287-A1290 PolarHBondContact O-N 2.85Å; S1287-E1291 WeakPolarHBondContact O-CA 3.49Å; S1287-E1291 WeakPolarHBondContact O-CB 3.27Å; S1287-E1291 PolarHBondContact O-N 3.02Å |
| 1288 | W | 69.2 | Low | 74 | Confident | 139 Ų | 139 | 111.4 Ų | 111.4 | 53% | 0.527 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68 | -36.4 | 173 | -176.1 | 80.7 | 0 | 0 | 0 | 111.8 | R1284 K1292 | R1284-W1288 WeakPolarHBondContact O-CA 3.28Å; R1284-W1288 WeakPolarHBondContact O-CB 3.23Å; R1284-W1288 PolarHBondContact O-N 2.86Å; W1288-K1292 HydrophobicContact CH2-CD 4.05Å; W1288-K1292 VanDerWaalsContact CH2-NZ 3.3Å; W1288-K1292 HydrophobicContact CZ2-CD 4.19Å; W1288-K1292 HydrophobicContact CZ3-CD 4.21Å; W1288-K1292 VanDerWaalsContact O-CB 3.28Å; W1288-K1292 WeakPolarHBondContact O-CB 3.43Å; W1288-K1292 PolarHBondContact O-N 3Å |
| 1289 | L | 72.3 | Confident | 73.8 | Confident | 92 Ų | 92 | 113.5 Ų | 113.5 | 48% | 0.482 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.1 | -44.6 | 171.9 | -87.4 | 155.2 | 0 | 0 | 0 | 111.8 | K1285 K1286 K1292 E1293 | K1285-L1289 HydrophobicContact CG-CD1 4.39Å; K1285-L1289 VanDerWaalsContact O-CB 3.23Å; K1285-L1289 WeakPolarHBondContact O-CB 3.24Å; K1285-L1289 WeakPolarHBondContact O-CD1 3.42Å; K1285-L1289 VanDerWaalsContact O-CG 3.3Å; K1285-L1289 WeakPolarHBondContact O-CG 3.39Å; K1285-L1289 PolarHBondContact O-N 2.83Å; K1286-L1289 PolarHBondContact O-N 2.81Å; L1289-K1292 WeakPolarHBondContact O-CB 3.42Å; L1289-K1292 PolarHBondContact O-N 3.18Å; L1289-E1293 PolarHBondContact O-N 3.02Å |
| 1290 | A | 70.6 | Confident | 73.5 | Confident | 53 Ų | 53 | 117.3 Ų | 117.3 | 44% | 0.438 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.5 | -36 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K1286 S1287 K1292 E1293 Y1294 | K1286-A1290 WeakPolarHBondContact O-CB 3.12Å; K1286-A1290 PolarHBondContact O-N 3.1Å; S1287-A1290 PolarHBondContact O-N 2.85Å; A1290-K1292 VanDerWaalsContact C-N 3.34Å; A1290-E1293 PolarHBondContact O-N 3.01Å; A1290-Y1294 WeakPolarHBondContact O-CB 3.47Å; A1290-Y1294 PolarHBondContact O-N 2.03Å |
| 1291 | E | 73.1 | Confident | 73.2 | Confident | 89 Ų | 89 | 120.9 Ų | 120.9 | 42% | 0.416 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -72.6 | -29.6 | 174.1 | -163.2 | -177 | 178.6 | 0 | 0 | 110.5 | S1287 R1295 | S1287-E1291 WeakPolarHBondContact O-CA 3.49Å; S1287-E1291 WeakPolarHBondContact O-CB 3.27Å; S1287-E1291 PolarHBondContact O-N 3.02Å; E1291-R1295 WeakPolarHBondContact O-CB 3.43Å; E1291-R1295 WeakPolarHBondContact O-CG 3.48Å; E1291-R1295 PolarHBondContact O-N 2.8Å; E1291-R1295 IonicContact OE1-CZ 3.24Å; E1291-R1295 IonicContact OE1-NE 2.98Å; E1291-R1295 IonicContact OE1-NH2 3.79Å; E1291-R1295 PolarHBondContact OE1-NH2 2.96Å |
| 1292 | K | 72.1 | Confident | 73.1 | Confident | 115 Ų | 115 | 120.8 Ų | 120.8 | 50% | 0.5 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.7 | -41.7 | 170.2 | -128.5 | 177 | 178.7 | 177.7 | 0 | 112.3 | W1288 L1289 A1290 R1296 | W1288-K1292 HydrophobicContact CH2-CD 4.05Å; W1288-K1292 VanDerWaalsContact CH2-NZ 3.3Å; W1288-K1292 HydrophobicContact CZ2-CD 4.19Å; W1288-K1292 HydrophobicContact CZ3-CD 4.21Å; W1288-K1292 VanDerWaalsContact O-CB 3.28Å; W1288-K1292 WeakPolarHBondContact O-CB 3.43Å; W1288-K1292 PolarHBondContact O-N 3Å; L1289-K1292 WeakPolarHBondContact O-CB 3.42Å; L1289-K1292 PolarHBondContact O-N 3.18Å; A1290-K1292 VanDerWaalsContact C-N 3.34Å; K1292-R1296 WeakPolarHBondContact O-CB 3.47Å; K1292-R1296 PolarHBondContact O-N 2.81Å |
| 1293 | E | 72.7 | Confident | 72.9 | Confident | 121 Ų | 121 | 116.7 Ų | 116.7 | 57% | 0.565 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.3 | -43.2 | 174.3 | -97 | 170.7 | 165.1 | 0 | 0 | 111 | L1289 A1290 R1296 I1297 | L1289-E1293 PolarHBondContact O-N 3.02Å; A1290-E1293 PolarHBondContact O-N 3.01Å; E1293-R1296 PolarHBondContact O-N 3.35Å; E1293-I1297 WeakPolarHBondContact O-CB 3.37Å; E1293-I1297 VanDerWaalsContact O-CG1 3.26Å; E1293-I1297 WeakPolarHBondContact O-CG1 3.35Å; E1293-I1297 PolarHBondContact O-N 3.11Å |
| 1294 | Y | 73.1 | Confident | 72.6 | Confident | 154 Ų | 154 | 112.1 Ų | 112.1 | 60% | 0.604 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.6 | -45.2 | 174.7 | -169.2 | -95.9 | 0 | 0 | 0 | 111.2 | A1290 R1296 I1297 Q1298 | A1290-Y1294 WeakPolarHBondContact O-CB 3.47Å; A1290-Y1294 PolarHBondContact O-N 2.03Å; Y1294-R1296 VanDerWaalsContact C-N 3.3Å; Y1294-R1296 PolarHBondContact O-N 3.19Å; Y1294-I1297 PolarHBondContact O-N 3.08Å; Y1294-Q1298 WeakPolarHBondContact O-CB 2.93Å; Y1294-Q1298 PolarHBondContact O-N 3.4Å |
| 1295 | R | 76 | Confident | 72.4 | Confident | 147 Ų | 147 | 107.2 Ų | 107.2 | 56% | 0.555 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.8 | -33.7 | 172.5 | -76.1 | 177.3 | -168.6 | -165 | 6.3 | 112.1 | E1291 L1299 | E1291-R1295 WeakPolarHBondContact O-CB 3.43Å; E1291-R1295 WeakPolarHBondContact O-CG 3.48Å; E1291-R1295 PolarHBondContact O-N 2.8Å; E1291-R1295 IonicContact OE1-CZ 3.24Å; E1291-R1295 IonicContact OE1-NE 2.98Å; E1291-R1295 IonicContact OE1-NH2 3.79Å; E1291-R1295 PolarHBondContact OE1-NH2 2.96Å; R1295-L1299 WeakPolarHBondContact O-CB 3.35Å; R1295-L1299 WeakPolarHBondContact O-CD1 3.42Å; R1295-L1299 VanDerWaalsContact O-CG 3.22Å; R1295-L1299 WeakPolarHBondContact O-CG 3.16Å; R1295-L1299 PolarHBondContact O-N 2.82Å |
| 1296 | R | 76 | Confident | 72.2 | Confident | 168 Ų | 168 | 103.5 Ų | 103.5 | 63% | 0.634 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -70.9 | -44.3 | 175.9 | -175.3 | -172.7 | -84.7 | 166.3 | -9.6 | 111.2 | K1292 E1293 Y1294 L1299 Q1300 | K1292-R1296 WeakPolarHBondContact O-CB 3.47Å; K1292-R1296 PolarHBondContact O-N 2.81Å; E1293-R1296 PolarHBondContact O-N 3.35Å; Y1294-R1296 VanDerWaalsContact C-N 3.3Å; Y1294-R1296 PolarHBondContact O-N 3.19Å; R1296-L1299 PolarHBondContact O-N 2.78Å; R1296-Q1300 WeakPolarHBondContact O-CB 3.3Å; R1296-Q1300 VanDerWaalsContact O-CG 3.29Å; R1296-Q1300 WeakPolarHBondContact O-CG 3.1Å; R1296-Q1300 PolarHBondContact O-N 2.89Å |
| 1297 | I | 72.6 | Confident | 71.9 | Confident | 92 Ų | 92 | 102.8 Ų | 102.8 | 47% | 0.472 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 175.5 | -68.6 | 166.6 | 0 | 0 | 0 | 109.7 | E1293 Y1294 Q1300 M1301 | E1293-I1297 WeakPolarHBondContact O-CB 3.37Å; E1293-I1297 VanDerWaalsContact O-CG1 3.26Å; E1293-I1297 WeakPolarHBondContact O-CG1 3.35Å; E1293-I1297 PolarHBondContact O-N 3.11Å; Y1294-I1297 PolarHBondContact O-N 3.08Å; I1297-Q1300 CarbonylContact O-C 3.53Å; I1297-Q1300 PolarHBondContact O-N 2.94Å; I1297-M1301 HydrophobicContact CG2-CE 4.41Å; I1297-M1301 WeakPolarHBondContact O-CB 3.46Å; I1297-M1301 PolarHBondContact O-N 2.84Å |
| 1298 | Q | 74.1 | Confident | 71.8 | Confident | 84 Ų | 84 | 103.2 Ų | 103.2 | 39% | 0.393 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.4 | -41.9 | 177.2 | -170.6 | 167.8 | -5 | 0 | 0 | 111.5 | Y1294 Q1300 M1301 D1302 | Y1294-Q1298 WeakPolarHBondContact O-CB 2.93Å; Y1294-Q1298 PolarHBondContact O-N 3.4Å; Q1298-Q1300 VanDerWaalsContact C-N 3.32Å; Q1298-Q1300 PolarHBondContact O-N 3.34Å; Q1298-M1301 CarbonylContact O-C 3.56Å; Q1298-M1301 PolarHBondContact O-N 2.82Å; Q1298-D1302 VanDerWaalsContact O-CB 3.29Å; Q1298-D1302 WeakPolarHBondContact O-CB 3.07Å; Q1298-D1302 PolarHBondContact O-N 2.94Å |
| 1299 | L | 71 | Confident | 71.7 | Confident | 109 Ų | 109 | 103 Ų | 103 | 57% | 0.571 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.3 | -39.3 | 170.7 | -82.4 | 161 | 0 | 0 | 0 | 111.6 | R1295 R1296 T1303 | R1295-L1299 WeakPolarHBondContact O-CB 3.35Å; R1295-L1299 WeakPolarHBondContact O-CD1 3.42Å; R1295-L1299 VanDerWaalsContact O-CG 3.22Å; R1295-L1299 WeakPolarHBondContact O-CG 3.16Å; R1295-L1299 PolarHBondContact O-N 2.82Å; R1296-L1299 PolarHBondContact O-N 2.78Å; L1299-T1303 VanDerWaalsContact O-CB 3.25Å; L1299-T1303 WeakPolarHBondContact O-CB 2.93Å; L1299-T1303 PolarHBondContact O-N 3.24Å; L1299-T1303 PolarHBondContact O-OG1 2.97Å |
| 1300 | Q | 73.5 | Confident | 71.6 | Confident | 127 Ų | 127 | 103.8 Ų | 103.8 | 59% | 0.593 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.1 | -39.5 | 174.2 | -78.2 | -177.9 | -37.4 | 0 | 0 | 111.6 | R1296 I1297 Q1298 L1304 | R1296-Q1300 WeakPolarHBondContact O-CB 3.3Å; R1296-Q1300 VanDerWaalsContact O-CG 3.29Å; R1296-Q1300 WeakPolarHBondContact O-CG 3.1Å; R1296-Q1300 PolarHBondContact O-N 2.89Å; I1297-Q1300 CarbonylContact O-C 3.53Å; I1297-Q1300 PolarHBondContact O-N 2.94Å; Q1298-Q1300 VanDerWaalsContact C-N 3.32Å; Q1298-Q1300 PolarHBondContact O-N 3.34Å; Q1300-L1304 VanDerWaalsContact O-CB 3.28Å; Q1300-L1304 WeakPolarHBondContact O-CB 3.49Å; Q1300-L1304 PolarHBondContact O-N 3.31Å |
| 1301 | M | 70.2 | Confident | 71.5 | Confident | 117 Ų | 117 | 102.5 Ų | 102.5 | 58% | 0.576 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.9 | -45 | 176.7 | -151.9 | 90.2 | 81.9 | 0 | 0 | 111.2 | I1297 Q1298 T1303 L1304 E1305 | I1297-M1301 HydrophobicContact CG2-CE 4.41Å; I1297-M1301 WeakPolarHBondContact O-CB 3.46Å; I1297-M1301 PolarHBondContact O-N 2.84Å; Q1298-M1301 CarbonylContact O-C 3.56Å; Q1298-M1301 PolarHBondContact O-N 2.82Å; M1301-T1303 VanDerWaalsContact C-N 3.34Å; M1301-T1303 PolarHBondContact O-N 3.48Å; M1301-L1304 PolarHBondContact O-N 2.9Å; M1301-E1305 VanDerWaalsContact O-CB 3.28Å; M1301-E1305 WeakPolarHBondContact O-CB 3.13Å; M1301-E1305 PolarHBondContact O-N 3.15Å |
| 1302 | D | 73.3 | Confident | 71.1 | Confident | 79 Ų | 79 | 100.5 Ų | 100.5 | 42% | 0.422 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.4 | -37.5 | 176.6 | -70.6 | -16.4 | 0 | 0 | 0 | 110.9 | Q1298 S1306 | Q1298-D1302 VanDerWaalsContact O-CB 3.29Å; Q1298-D1302 WeakPolarHBondContact O-CB 3.07Å; Q1298-D1302 PolarHBondContact O-N 2.94Å; D1302-S1306 WeakPolarHBondContact O-CB 3.35Å; D1302-S1306 PolarHBondContact O-N 2.7Å |
| 1303 | T | 72.3 | Confident | 71 | Confident | 74 Ų | 74 | 102 Ų | 102 | 45% | 0.454 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.5 | -41.3 | 174.5 | -52.6 | 0 | 0 | 0 | 0 | 110.5 | L1299 M1301 S1306 N1307 | L1299-T1303 VanDerWaalsContact O-CB 3.25Å; L1299-T1303 WeakPolarHBondContact O-CB 2.93Å; L1299-T1303 PolarHBondContact O-N 3.24Å; L1299-T1303 PolarHBondContact O-OG1 2.97Å; M1301-T1303 VanDerWaalsContact C-N 3.34Å; M1301-T1303 PolarHBondContact O-N 3.48Å; T1303-S1306 PolarHBondContact O-N 3.01Å; T1303-N1307 WeakPolarHBondContact O-CB 3.42Å; T1303-N1307 PolarHBondContact O-N 3.32Å; T1303-N1307 PolarHBondContact O-ND2 2.95Å; T1303-N1307 PolarHBondContact O-OD1 3.43Å |
| 1304 | L | 69 | Low | 70.8 | Confident | 98 Ų | 98 | 99.7 Ų | 99.7 | 51% | 0.513 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67 | -42.3 | 176.9 | -156 | 116.9 | 0 | 0 | 0 | 111.1 | Q1300 M1301 N1307 V1308 | Q1300-L1304 VanDerWaalsContact O-CB 3.28Å; Q1300-L1304 WeakPolarHBondContact O-CB 3.49Å; Q1300-L1304 PolarHBondContact O-N 3.31Å; M1301-L1304 PolarHBondContact O-N 2.9Å; L1304-N1307 PolarHBondContact O-N 2.86Å; L1304-V1308 WeakPolarHBondContact O-CB 3.48Å; L1304-V1308 VanDerWaalsContact O-CG2 3.25Å; L1304-V1308 WeakPolarHBondContact O-CG2 3.2Å; L1304-V1308 PolarHBondContact O-N 2.96Å |
| 1305 | E | 69.7 | Low | 70.3 | Confident | 89 Ų | 89 | 92.9 Ų | 92.9 | 42% | 0.416 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 175.3 | -167.3 | -171.2 | 142.9 | 0 | 0 | 111.3 | M1301 R1309 | M1301-E1305 VanDerWaalsContact O-CB 3.28Å; M1301-E1305 WeakPolarHBondContact O-CB 3.13Å; M1301-E1305 PolarHBondContact O-N 3.15Å; E1305-R1309 WeakPolarHBondContact O-CB 3.32Å; E1305-R1309 PolarHBondContact O-N 3.39Å; E1305-R1309 IonicContact OE1-CZ 2.99Å; E1305-R1309 IonicContact OE1-NH1 3.88Å; E1305-R1309 PolarHBondContact OE1-NH1 3.43Å; E1305-R1309 IonicContact OE1-NH2 3.73Å; E1305-R1309 PolarHBondContact OE1-NH2 3.26Å |
| 1306 | S | 69.6 | Low | 69.6 | Low | 56 Ų | 56 | 93 Ų | 93 | 39% | 0.392 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 174.2 | -176.8 | 0 | 0 | 0 | 0 | 111.3 | D1302 T1303 R1309 Q1310 | D1302-S1306 WeakPolarHBondContact O-CB 3.35Å; D1302-S1306 PolarHBondContact O-N 2.7Å; T1303-S1306 PolarHBondContact O-N 3.01Å; S1306-R1309 PolarHBondContact O-N 2.96Å; S1306-Q1310 VanDerWaalsContact O-CB 3.27Å; S1306-Q1310 WeakPolarHBondContact O-CB 3.11Å; S1306-Q1310 PolarHBondContact O-N 2.93Å |
| 1307 | N | 69 | Low | 68.8 | Low | 99 Ų | 99 | 88 Ų | 88 | 53% | 0.529 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.9 | -43.5 | 178.6 | -70.6 | -9.5 | 0 | 0 | 0 | 111.5 | T1303 L1304 Q1310 E1311 | T1303-N1307 WeakPolarHBondContact O-CB 3.42Å; T1303-N1307 PolarHBondContact O-N 3.32Å; T1303-N1307 PolarHBondContact O-ND2 2.95Å; T1303-N1307 PolarHBondContact O-OD1 3.43Å; L1304-N1307 PolarHBondContact O-N 2.86Å; N1307-Q1310 PolarHBondContact O-N 3.48Å; N1307-E1311 WeakPolarHBondContact O-CB 3.4Å; N1307-E1311 PolarHBondContact O-N 2.77Å |
| 1308 | V | 68.2 | Low | 68.3 | Low | 65 Ų | 65 | 85.4 Ų | 85.4 | 39% | 0.394 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 174.4 | 172 | 0 | 0 | 0 | 0 | 111 | L1304 Q1310 C1312 | L1304-V1308 WeakPolarHBondContact O-CB 3.48Å; L1304-V1308 VanDerWaalsContact O-CG2 3.25Å; L1304-V1308 WeakPolarHBondContact O-CG2 3.2Å; L1304-V1308 PolarHBondContact O-N 2.96Å; V1308-Q1310 VanDerWaalsContact C-N 3.32Å; V1308-Q1310 PolarHBondContact O-N 3.24Å; V1308-C1312 VanDerWaalsContact O-CB 3.24Å; V1308-C1312 WeakPolarHBondContact O-CB 3.23Å; V1308-C1312 PolarHBondContact O-N 2.82Å; V1308-C1312 PolarHBondContact O-SG 2.8Å; V1308-C1312 VanDerWaalsContact O-SG 3.37Å |
| 1309 | R | 67.7 | Low | 67.5 | Low | 135 Ų | 135 | 84.9 Ų | 84.9 | 51% | 0.509 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.6 | -35.5 | 177 | -174 | -177.3 | -87.9 | 118.3 | -2.8 | 111.3 | E1305 S1306 K1313 | E1305-R1309 WeakPolarHBondContact O-CB 3.32Å; E1305-R1309 PolarHBondContact O-N 3.39Å; E1305-R1309 IonicContact OE1-CZ 2.99Å; E1305-R1309 IonicContact OE1-NH1 3.88Å; E1305-R1309 PolarHBondContact OE1-NH1 3.43Å; E1305-R1309 IonicContact OE1-NH2 3.73Å; E1305-R1309 PolarHBondContact OE1-NH2 3.26Å; S1306-R1309 PolarHBondContact O-N 2.96Å; R1309-K1313 WeakPolarHBondContact O-CB 3.22Å; R1309-K1313 WeakPolarHBondContact O-CG 3.32Å; R1309-K1313 PolarHBondContact O-N 3.15Å |
| 1310 | Q | 69.4 | Low | 66.6 | Low | 109 Ų | 109 | 87.8 Ų | 87.8 | 51% | 0.509 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -74.5 | -45.7 | 177.6 | -170.8 | 144.4 | -17.2 | 0 | 0 | 112 | S1306 N1307 V1308 C1312 K1313 E1314 | S1306-Q1310 VanDerWaalsContact O-CB 3.27Å; S1306-Q1310 WeakPolarHBondContact O-CB 3.11Å; S1306-Q1310 PolarHBondContact O-N 2.93Å; N1307-Q1310 PolarHBondContact O-N 3.48Å; V1308-Q1310 VanDerWaalsContact C-N 3.32Å; V1308-Q1310 PolarHBondContact O-N 3.24Å; Q1310-C1312 VanDerWaalsContact C-N 3.31Å; Q1310-C1312 PolarHBondContact O-N 3.35Å; Q1310-K1313 PolarHBondContact O-N 3.05Å; Q1310-K1313 VanDerWaalsContact O-N 3.13Å; Q1310-E1314 WeakPolarHBondContact O-CG 3.07Å; Q1310-E1314 PolarHBondContact O-N 3.49Å |
| 1311 | E | 67.9 | Low | 65.6 | Low | 25 Ų | 25 | 84.7 Ų | 84.7 | 12% | 0.117 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -58.4 | -41.9 | 170.7 | -87.5 | -97.6 | 168.1 | 0 | 0 | 111.2 | N1307 E1314 A1315 R1698 | N1307-E1311 WeakPolarHBondContact O-CB 3.4Å; N1307-E1311 PolarHBondContact O-N 2.77Å; E1311-E1314 PolarHBondContact O-N 2.77Å; E1311-A1315 VanDerWaalsContact O-CB 3.23Å; E1311-A1315 WeakPolarHBondContact O-CB 3.46Å; E1311-A1315 PolarHBondContact O-N 2.88Å; E1311-R1698 IonicContact OE1-CZ 2.78Å; E1311-R1698 IonicContact OE1-NE 3.46Å; E1311-R1698 IonicContact OE1-NH2 2.64Å; E1311-R1698 PolarHBondContact OE1-NH2 3.35Å; E1311-R1698 IonicContact OE2-NE 3.25Å; E1311-R1698 PolarHBondContact OE2-NE 3.12Å; E1311-R1698 IonicContact OE2-NH2 3.45Å |
| 1312 | C | 66.1 | Low | 64.7 | Low | 47 Ų | 47 | 85.7 Ų | 85.7 | 32% | 0.318 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.4 | -38.4 | 174.3 | -80.2 | 0 | 0 | 0 | 0 | 112.8 | V1308 Q1310 F1316 | V1308-C1312 VanDerWaalsContact O-CB 3.24Å; V1308-C1312 WeakPolarHBondContact O-CB 3.23Å; V1308-C1312 PolarHBondContact O-N 2.82Å; V1308-C1312 PolarHBondContact O-SG 2.8Å; V1308-C1312 VanDerWaalsContact O-SG 3.37Å; Q1310-C1312 VanDerWaalsContact C-N 3.31Å; Q1310-C1312 PolarHBondContact O-N 3.35Å; C1312-F1316 WeakPolarHBondContact O-CB 3.39Å; C1312-F1316 PolarHBondContact O-N 2.81Å |
| 1313 | K | 68.7 | Low | 64.2 | Low | 147 Ų | 147 | 83.1 Ų | 83.1 | 64% | 0.639 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -66.1 | -44.5 | 175.7 | -89.1 | -176.6 | 174.6 | -176.3 | 0 | 111.7 | R1309 Q1310 F1316 A1317 | R1309-K1313 WeakPolarHBondContact O-CB 3.22Å; R1309-K1313 WeakPolarHBondContact O-CG 3.32Å; R1309-K1313 PolarHBondContact O-N 3.15Å; Q1310-K1313 PolarHBondContact O-N 3.05Å; Q1310-K1313 VanDerWaalsContact O-N 3.13Å; K1313-F1316 PolarHBondContact O-N 2.77Å; K1313-A1317 WeakPolarHBondContact O-CB 3.38Å; K1313-A1317 PolarHBondContact O-N 3.29Å |
| 1314 | E | 69.2 | Low | 63.5 | Low | 72 Ų | 72 | 82 Ų | 82 | 34% | 0.336 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.3 | -45.5 | 176.3 | -72.5 | 175.6 | -163 | 0 | 0 | 110.3 | Q1310 E1311 F1316 A1317 E1318 R1507 | Q1310-E1314 WeakPolarHBondContact O-CG 3.07Å; Q1310-E1314 PolarHBondContact O-N 3.49Å; E1311-E1314 PolarHBondContact O-N 2.77Å; E1314-F1316 VanDerWaalsContact C-N 3.35Å; E1314-F1316 PolarHBondContact O-N 2.93Å; E1314-A1317 PolarHBondContact O-N 3Å; E1314-E1318 WeakPolarHBondContact O-CB 3.43Å; E1314-E1318 VanDerWaalsContact O-CG 3.27Å; E1314-E1318 WeakPolarHBondContact O-CG 3.09Å; E1314-E1318 PolarHBondContact O-N 2.92Å; E1314-R1507 IonicContact OE2-NH2 2.89Å |
| 1315 | A | 62.1 | Low | 63 | Low | 11 Ų | 11 | 82.9 Ų | 82.9 | 9% | 0.091 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.3 | -38.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1311 E1318 L1319 | E1311-A1315 VanDerWaalsContact O-CB 3.23Å; E1311-A1315 WeakPolarHBondContact O-CB 3.46Å; E1311-A1315 PolarHBondContact O-N 2.88Å; A1315-E1318 PolarHBondContact O-N 2.88Å; A1315-L1319 WeakPolarHBondContact O-CB 3.36Å; A1315-L1319 WeakPolarHBondContact O-CD1 3.34Å; A1315-L1319 WeakPolarHBondContact O-CG 3.37Å; A1315-L1319 PolarHBondContact O-N 2.83Å |
| 1316 | F | 62.3 | Low | 62.6 | Low | 150 Ų | 150 | 79.4 Ų | 79.4 | 66% | 0.658 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -69.9 | -38.8 | 175.2 | -107.6 | -80.7 | 0 | 0 | 0 | 113.1 | C1312 K1313 E1314 E1318 L1319 Q1320 | C1312-F1316 WeakPolarHBondContact O-CB 3.39Å; C1312-F1316 PolarHBondContact O-N 2.81Å; K1313-F1316 PolarHBondContact O-N 2.77Å; E1314-F1316 VanDerWaalsContact C-N 3.35Å; E1314-F1316 PolarHBondContact O-N 2.93Å; F1316-E1318 VanDerWaalsContact C-N 3.32Å; F1316-L1319 WeakPolarHBondContact O-CB 3.5Å; F1316-L1319 PolarHBondContact O-N 3.35Å; F1316-Q1320 PolarHBondContact O-N 2.9Å |
| 1317 | A | 58.6 | Low | 62.3 | Low | 63 Ų | 63 | 79.4 Ų | 79.4 | 52% | 0.521 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.2 | -37.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | K1313 E1314 Q1320 | K1313-A1317 WeakPolarHBondContact O-CB 3.38Å; K1313-A1317 PolarHBondContact O-N 3.29Å; E1314-A1317 PolarHBondContact O-N 3Å; A1317-Q1320 PolarHBondContact O-N 2.79Å |
| 1318 | E | 62 | Low | 61.6 | Low | 38 Ų | 38 | 75.2 Ų | 75.2 | 18% | 0.178 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -68.3 | -35.5 | 174 | -74.5 | 173.6 | -178.8 | 0 | 0 | 112.3 | E1314 A1315 F1316 Q1320 T1321 Y1508 | E1314-E1318 WeakPolarHBondContact O-CB 3.43Å; E1314-E1318 VanDerWaalsContact O-CG 3.27Å; E1314-E1318 WeakPolarHBondContact O-CG 3.09Å; E1314-E1318 PolarHBondContact O-N 2.92Å; A1315-E1318 PolarHBondContact O-N 2.88Å; F1316-E1318 VanDerWaalsContact C-N 3.32Å; E1318-Q1320 PolarHBondContact O-N 2.97Å; E1318-T1321 PolarHBondContact O-N 3.41Å; E1318-T1321 VanDerWaalsContact O-N 3.07Å; E1318-T1321 PolarHBondContact O-OG1 2.92Å; E1318-Y1508 VanDerWaalsContact CD-OH 3.28Å; E1318-Y1508 PolarHBondContact OE1-OH 2.99Å; E1318-Y1508 WeakPolarHBondContact OE2-CE1 3.38Å; E1318-Y1508 PolarHBondContact OE2-OH 2.6Å |
| 1319 | L | 56.8 | Low | 61 | Low | 72 Ų | 72 | 73.2 Ų | 73.2 | 38% | 0.377 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.4 | -22.9 | 173.3 | -86.1 | 159.5 | 0 | 0 | 0 | 113.2 | A1315 F1316 T1321 | A1315-L1319 WeakPolarHBondContact O-CB 3.36Å; A1315-L1319 WeakPolarHBondContact O-CD1 3.34Å; A1315-L1319 WeakPolarHBondContact O-CG 3.37Å; A1315-L1319 PolarHBondContact O-N 2.83Å; F1316-L1319 WeakPolarHBondContact O-CB 3.5Å; F1316-L1319 PolarHBondContact O-N 3.35Å; L1319-T1321 VanDerWaalsContact C-N 3.35Å |
| 1320 | Q | 52.7 | Low | 60.4 | Low | 170 Ų | 170 | 67.5 Ų | 67.5 | 79% | 0.794 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | 3 | 175.1 | -70.9 | -160.8 | -33.5 | 0 | 0 | 114.3 | F1316 A1317 E1318 D1322 | F1316-Q1320 PolarHBondContact O-N 2.9Å; A1317-Q1320 PolarHBondContact O-N 2.79Å; E1318-Q1320 PolarHBondContact O-N 2.97Å; Q1320-D1322 PolarHBondContact O-N 2.94Å |
| 1321 | T | 52.7 | Low | 59.7 | Low | 62 Ų | 62 | 65.3 Ų | 65.3 | 38% | 0.38 | 35% | 0.349 | S | S | . | . | trans | -81.9 | 114.7 | 178.2 | 56.1 | 0 | 0 | 0 | 0 | 111.8 | E1318 L1319 M1323 K1496 | E1318-T1321 PolarHBondContact O-N 3.41Å; E1318-T1321 VanDerWaalsContact O-N 3.07Å; E1318-T1321 PolarHBondContact O-OG1 2.92Å; L1319-T1321 VanDerWaalsContact C-N 3.35Å; T1321-M1323 PolarHBondContact O-N 2.8Å; T1321-K1496 PolarHBondContact OG1-NZ 2.83Å | ||
| 1322 | D | 51 | Low | 58.9 | Low | 139 Ų | 139 | 64.6 Ų | 64.6 | 74% | 0.743 | 35% | 0.348 | S | S | * | . | trans | -61.8 | 122.8 | -179 | -102.9 | -20 | 0 | 0 | 0 | 112.4 | Q1320 S1324 | Q1320-D1322 PolarHBondContact O-N 2.94Å; D1322-S1324 PolarHBondContact O-N 3.29Å | ||
| 1323 | M | 63 | Low | 58.3 | Low | 25 Ų | 25 | 64.9 Ų | 64.9 | 12% | 0.123 | 35% | 0.346 | C | S | . | . | trans | -82 | 14.2 | 165.4 | -75.9 | -142.7 | 117.3 | 0 | 0 | 112.7 | T1321 D1325 L1326 A1489 H1492 Q1493 T1705 F1709 | T1321-M1323 PolarHBondContact O-N 2.8Å; M1323-D1325 PolarHBondContact O-N 3.27Å; M1323-D1325 VanDerWaalsContact O-N 3.08Å; M1323-L1326 HydrophobicContact CE-CD1 3.26Å; M1323-L1326 PolarHBondContact O-N 3.03Å; M1323-L1326 HydrophobicContact SD-CD1 3.94Å; M1323-A1489 HydrophobicContact SD-CB 4.03Å; M1323-H1492 HydrophobicContact CE-CB 4.06Å; M1323-H1492 WeakPolarHBondContact CE-CD2 3.43Å; M1323-Q1493 HydrophobicContact CE-CB 4.28Å; M1323-T1705 HydrophobicContact CG-CG2 3.67Å; M1323-T1705 HydrophobicContact SD-CG2 4.01Å; M1323-F1709 HydrophobicContact CB-CE2 3.92Å; M1323-F1709 HydrophobicContact CB-CZ 4.03Å; M1323-F1709 HydrophobicContact CG-CE2 4.25Å; M1323-F1709 HydrophobicContact SD-CD2 4.33Å; M1323-F1709 HydrophobicContact SD-CE2 3.51Å; M1323-F1709 VanDerWaalsContact SD-CE2 3.51Å; M1323-F1709 HydrophobicContact SD-CZ 4.15Å | ||
| 1324 | S | 57.6 | Low | 58.1 | Low | 49 Ų | 49 | 59.2 Ų | 59.2 | 34% | 0.343 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60 | -23.4 | -174.3 | 55.7 | 0 | 0 | 0 | 0 | 113.4 | Q361 D1322 L1326 | Q361-S1324 PolarHBondContact NE2-O 2.81Å; D1322-S1324 PolarHBondContact O-N 3.29Å; S1324-L1326 PolarHBondContact O-N 3.49Å |
| 1325 | D | 59.5 | Low | 58.7 | Low | 117 Ų | 117 | 57.2 Ų | 57.2 | 63% | 0.626 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -65.9 | -31.8 | 175.4 | -76.2 | -12.9 | 0 | 0 | 0 | 113 | M1323 S1328 D1329 | M1323-D1325 PolarHBondContact O-N 3.27Å; M1323-D1325 VanDerWaalsContact O-N 3.08Å; D1325-S1328 WeakPolarHBondContact CA-OG 3.22Å; D1325-S1328 WeakPolarHBondContact O-CB 3.48Å; D1325-S1328 PolarHBondContact O-N 2.82Å; D1325-S1328 PolarHBondContact O-OG 3.45Å; D1325-D1329 PolarHBondContact O-N 2.82Å |
| 1326 | L | 61.1 | Low | 59.9 | Low | 16 Ų | 16 | 58.4 Ų | 58.4 | 8% | 0.084 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.4 | -42.7 | -176.4 | -99.7 | 132.6 | 0 | 0 | 0 | 112.9 | M1323 S1324 S1328 D1329 L1330 K1488 H1492 | M1323-L1326 HydrophobicContact CE-CD1 3.26Å; M1323-L1326 PolarHBondContact O-N 3.03Å; M1323-L1326 HydrophobicContact SD-CD1 3.94Å; S1324-L1326 PolarHBondContact O-N 3.49Å; L1326-S1328 PolarHBondContact O-N 2.82Å; L1326-D1329 PolarHBondContact O-N 3.24Å; L1326-L1330 WeakPolarHBondContact O-CB 3.36Å; L1326-L1330 PolarHBondContact O-N 3.35Å; L1326-K1488 HydrophobicContact CD2-CB 3.52Å; L1326-H1492 HydrophobicContact CD1-CB 3.77Å |
| 1327 | T | 62.4 | Low | 61.1 | Low | 57 Ų | 57 | 53.8 Ų | 53.8 | 35% | 0.35 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.9 | -35.1 | 177.1 | -19.5 | 0 | 0 | 0 | 0 | 110.4 | H364 L1330 L1485 | H364-T1327 PolarHBondContact NE2-O 3.15Å; T1327-L1330 PolarHBondContact O-N 3.25Å; T1327-L1485 HydrophobicContact CG2-CD2 4.3Å |
| 1328 | S | 53.7 | Low | 62.6 | Low | 11 Ų | 11 | 51.4 Ų | 51.4 | 8% | 0.077 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -72.2 | -21 | 177.4 | 88.8 | 0 | 0 | 0 | 0 | 115.7 | Q361 H364 D1325 L1326 | Q361-S1328 VanDerWaalsContact CB-CB 3.43Å; H364-S1328 PolarHBondContact CE1-O 2.9Å; H364-S1328 PolarHBondContact NE2-O 2.92Å; D1325-S1328 WeakPolarHBondContact CA-OG 3.22Å; D1325-S1328 WeakPolarHBondContact O-CB 3.48Å; D1325-S1328 PolarHBondContact O-N 2.82Å; D1325-S1328 PolarHBondContact O-OG 3.45Å; L1326-S1328 PolarHBondContact O-N 2.82Å |
| 1329 | D | 56.6 | Low | 63.8 | Low | 23 Ų | 23 | 52.6 Ų | 52.6 | 12% | 0.123 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -89.1 | -32.9 | 172.6 | -81.7 | -32.6 | 0 | 0 | 0 | 109.9 | D1325 L1326 A1332 L1333 R1574 | D1325-D1329 PolarHBondContact O-N 2.82Å; L1326-D1329 PolarHBondContact O-N 3.24Å; D1329-A1332 WeakPolarHBondContact O-CB 3.26Å; D1329-A1332 PolarHBondContact O-N 2.93Å; D1329-L1333 HydrophobicContact CB-CD1 3.98Å; D1329-L1333 WeakPolarHBondContact O-CB 3.27Å; D1329-L1333 VanDerWaalsContact O-CD1 3.25Å; D1329-L1333 WeakPolarHBondContact O-CD1 3.42Å; D1329-L1333 WeakPolarHBondContact O-CG 3.09Å; D1329-L1333 PolarHBondContact O-N 2.93Å; D1329-R1574 IonicContact OD1-NH1 3.38Å; D1329-R1574 IonicContact OD2-CZ 3.61Å; D1329-R1574 IonicContact OD2-NH1 3.12Å; D1329-R1574 PolarHBondContact OD2-NH1 2.96Å; D1329-R1574 IonicContact OD2-NH2 3.89Å; D1329-R1574 PolarHBondContact OD2-NH2 3.38Å |
| 1330 | L | 55.1 | Low | 65.3 | Low | 14 Ų | 14 | 50.1 Ų | 50.1 | 7% | 0.073 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -75.9 | -41.3 | -165.9 | -147.4 | 128.4 | 0 | 0 | 0 | 114.1 | L1326 T1327 A1332 I1335 F1484 L1485 K1488 | L1326-L1330 WeakPolarHBondContact O-CB 3.36Å; L1326-L1330 PolarHBondContact O-N 3.35Å; T1327-L1330 PolarHBondContact O-N 3.25Å; L1330-A1332 PolarHBondContact O-N 3.45Å; L1330-A1332 VanDerWaalsContact O-N 3.14Å; L1330-I1335 HydrophobicContact CD2-CD1 3.79Å; L1330-I1335 HydrophobicContact CD2-CG1 3.76Å; L1330-F1484 HydrophobicContact CD1-CD1 3.36Å; L1330-F1484 HydrophobicContact CD1-CE1 3.61Å; L1330-F1484 HydrophobicContact CD2-CD1 3.77Å; L1330-F1484 HydrophobicContact CD2-CE1 4.29Å; L1330-F1484 HydrophobicContact CG-CD1 3.72Å; L1330-F1484 HydrophobicContact CG-CE1 3.85Å; L1330-L1485 HydrophobicContact CB-CD2 3.67Å; L1330-L1485 HydrophobicContact CB-CG 4.46Å; L1330-L1485 HydrophobicContact CD1-CB 4.27Å; L1330-L1485 HydrophobicContact CD1-CD2 3.2Å; L1330-L1485 HydrophobicContact CD1-CG 3.6Å; L1330-L1485 HydrophobicContact CD2-CD1 4.38Å; L1330-L1485 HydrophobicContact CD2-CD2 3.88Å; L1330-L1485 HydrophobicContact CD2-CG 3.72Å; L1330-L1485 HydrophobicContact CG-CD2 3.72Å; L1330-L1485 HydrophobicContact CG-CG 4.08Å; L1330-K1488 HydrophobicContact CD1-CB 4.27Å; L1330-K1488 HydrophobicContact CD1-CG 4.21Å |
| 1331 | V | 55.3 | Low | 66.9 | Low | 64 Ų | 64 | 45.3 Ų | 45.3 | 39% | 0.388 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -72.2 | -10.1 | 179.8 | -163 | 0 | 0 | 0 | 0 | 108.5 | H364 N365 V366 | H364-V1331 CarbonylContact C-O 3.27Å; H364-V1331 VanDerWaalsContact CA-C 3.42Å; H364-V1331 WeakPolarHBondContact CA-O 3.1Å; H364-V1331 HydrophobicContact CB-CB 3.59Å; H364-V1331 HydrophobicContact CB-CG1 3.44Å; H364-V1331 VanDerWaalsContact CB-CG1 3.44Å; H364-V1331 WeakPolarHBondContact CB-O 3.43Å; H364-V1331 WeakPolarHBondContact CD2-CB 3.02Å; H364-V1331 VanDerWaalsContact CE1-CA 3.47Å; H364-V1331 WeakPolarHBondContact CE1-CA 3.38Å; H364-V1331 PolarHBondContact CE1-N 3.17Å; H364-V1331 VanDerWaalsContact CE1-N 3.32Å; H364-V1331 WeakPolarHBondContact ND1-CA 3.41Å; H364-V1331 PolarHBondContact ND1-O 3.29Å; H364-V1331 WeakPolarHBondContact NE2-CB 3.46Å; N365-V1331 PolarHBondContact N-O 2.89Å; V366-V1331 HydrophobicContact CG2-CG1 4.28Å |
| 1332 | A | 50 | Low | 68.6 | Low | 10 Ų | 10 | 44.4 Ų | 44.4 | 8% | 0.083 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -86.5 | -44.5 | -168 | 0 | 0 | 0 | 0 | 0 | 110.7 | R362 C363 H364 D1329 L1330 | R362-A1332 HydrophobicContact CB-CB 3.69Å; C363-A1332 WeakPolarHBondContact O-CA 3.41Å; C363-A1332 WeakPolarHBondContact O-CB 3.39Å; H364-A1332 VanDerWaalsContact CE1-CB 3.45Å; H364-A1332 WeakPolarHBondContact CE1-CB 3.4Å; H364-A1332 PolarHBondContact CE1-N 2.99Å; H364-A1332 WeakPolarHBondContact ND1-CA 3.43Å; H364-A1332 WeakPolarHBondContact ND1-CB 3.28Å; H364-A1332 PolarHBondContact ND1-N 2.94Å; D1329-A1332 WeakPolarHBondContact O-CB 3.26Å; D1329-A1332 PolarHBondContact O-N 2.93Å; L1330-A1332 PolarHBondContact O-N 3.45Å; L1330-A1332 VanDerWaalsContact O-N 3.14Å |
| 1333 | L | 53.2 | Low | 70.5 | Confident | 52 Ų | 52 | 37.8 Ų | 37.8 | 27% | 0.272 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -102.6 | -3.7 | -161.9 | -58 | 171.8 | 0 | 0 | 0 | 110 | D1329 N1575 | D1329-L1333 HydrophobicContact CB-CD1 3.98Å; D1329-L1333 WeakPolarHBondContact O-CB 3.27Å; D1329-L1333 VanDerWaalsContact O-CD1 3.25Å; D1329-L1333 WeakPolarHBondContact O-CD1 3.42Å; D1329-L1333 WeakPolarHBondContact O-CG 3.09Å; D1329-L1333 PolarHBondContact O-N 2.93Å; L1333-N1575 WeakPolarHBondContact CD1-OD1 3.49Å; L1333-N1575 HydrophobicContact CD2-CB 4.07Å; L1333-N1575 VanDerWaalsContact CD2-ND2 3.27Å; L1333-N1575 WeakPolarHBondContact CD2-ND2 3.39Å; L1333-N1575 WeakPolarHBondContact CD2-OD1 3.25Å |
| 1334 | G | 65.6 | Low | 71.8 | Confident | 29 Ų | 29 | 36.6 Ų | 36.6 | 30% | 0.299 | 21% | 0.211 | S | C | . | . | trans | 66.4 | 171.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1335 | I | 81.3 | Confident | 73.3 | Confident | 30 Ų | 30 | 34.6 Ų | 34.6 | 15% | 0.154 | 20% | 0.198 | C | C | . | . | trans | -107.1 | 127.3 | 176.3 | -61.1 | 176.5 | 0 | 0 | 0 | 106.7 | L1330 F1337 S1481 F1484 F1777 | L1330-I1335 HydrophobicContact CD2-CD1 3.79Å; L1330-I1335 HydrophobicContact CD2-CG1 3.76Å; I1335-F1337 HydrophobicContact CB-CD2 3.78Å; I1335-F1337 HydrophobicContact CB-CE2 3.51Å; I1335-F1337 HydrophobicContact CB-CZ 4.26Å; I1335-F1337 HydrophobicContact CD1-CE2 4.11Å; I1335-F1337 HydrophobicContact CD1-CZ 4.29Å; I1335-F1337 HydrophobicContact CG1-CE2 4.37Å; I1335-F1337 HydrophobicContact CG2-CD2 3.74Å; I1335-F1337 HydrophobicContact CG2-CE1 4.42Å; I1335-F1337 HydrophobicContact CG2-CE2 3.57Å; I1335-F1337 HydrophobicContact CG2-CG 4.24Å; I1335-F1337 HydrophobicContact CG2-CZ 3.92Å; I1335-F1337 WeakPolarHBondContact O-CD2 3.46Å; I1335-F1337 PolarHBondContact O-N 2.85Å; I1335-S1481 VanDerWaalsContact CD1-CA 3.46Å; I1335-S1481 WeakPolarHBondContact CD1-OG 3.5Å; I1335-F1484 HydrophobicContact CB-CD1 4.33Å; I1335-F1484 HydrophobicContact CB-CG 4.44Å; I1335-F1484 HydrophobicContact CD1-CB 4.1Å; I1335-F1484 HydrophobicContact CD1-CD1 4.19Å; I1335-F1484 HydrophobicContact CD1-CG 4.38Å; I1335-F1484 HydrophobicContact CG1-CB 4.45Å; I1335-F1484 HydrophobicContact CG1-CD1 3.76Å; I1335-F1484 HydrophobicContact CG1-CE1 4.17Å; I1335-F1484 HydrophobicContact CG1-CG 4.19Å; I1335-F1484 HydrophobicContact CG2-CB 3.92Å; I1335-F1484 HydrophobicContact CG2-CD1 3.98Å; I1335-F1484 HydrophobicContact CG2-CD2 3.74Å; I1335-F1484 HydrophobicContact CG2-CE1 4.39Å; I1335-F1484 HydrophobicContact CG2-CE2 4.17Å; I1335-F1484 HydrophobicContact CG2-CG 3.62Å; I1335-F1484 HydrophobicContact CG2-CZ 4.47Å; I1335-F1777 HydrophobicContact CG2-CD1 3.39Å; I1335-F1777 HydrophobicContact CG2-CE1 3.47Å; I1335-F1777 VanDerWaalsContact CG2-CE1 3.47Å; I1335-F1777 HydrophobicContact CG2-CG 4.43Å | ||
| 1336 | P | 87 | Confident | 74.7 | Confident | 36 Ų | 36 | 31.6 Ų | 31.6 | 23% | 0.234 | 18% | 0.178 | C | C | . | . | trans | -76.1 | 65.2 | -178 | 33.2 | -36.2 | 0 | 0 | 0 | 110.5 | H1338 F1484 A1577 F1777 D1778 V1779 | P1336-H1338 PolarHBondContact O-N 2.78Å; P1336-F1484 VanDerWaalsContact CD-CE2 3.5Å; P1336-F1484 VanDerWaalsContact CD-CZ 3.41Å; P1336-F1484 HydrophobicContact CG-CE2 3.88Å; P1336-F1484 HydrophobicContact CG-CZ 4.07Å; P1336-A1577 HydrophobicContact CB-CB 4.19Å; P1336-F1777 CarbonylContact O-C 3.46Å; P1336-F1777 WeakPolarHBondContact O-CA 3.44Å; P1336-D1778 HydrophobicContact CB-CB 4.38Å; P1336-D1778 PolarHBondContact O-N 2.92Å; P1336-V1779 HydrophobicContact CG-CG1 4.2Å | ||
| 1337 | F | 88.9 | Confident | 76.1 | Confident | 53 Ų | 53 | 31.6 Ų | 31.6 | 23% | 0.232 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | -58.9 | 129.3 | 174.4 | -72.8 | -84.7 | 0 | 0 | 0 | 109.9 | I1335 L1475 Q1476 I1776 F1777 | I1335-F1337 HydrophobicContact CB-CD2 3.78Å; I1335-F1337 HydrophobicContact CB-CE2 3.51Å; I1335-F1337 HydrophobicContact CB-CZ 4.26Å; I1335-F1337 HydrophobicContact CD1-CE2 4.11Å; I1335-F1337 HydrophobicContact CD1-CZ 4.29Å; I1335-F1337 HydrophobicContact CG1-CE2 4.37Å; I1335-F1337 HydrophobicContact CG2-CD2 3.74Å; I1335-F1337 HydrophobicContact CG2-CE1 4.42Å; I1335-F1337 HydrophobicContact CG2-CE2 3.57Å; I1335-F1337 HydrophobicContact CG2-CG 4.24Å; I1335-F1337 HydrophobicContact CG2-CZ 3.92Å; I1335-F1337 WeakPolarHBondContact O-CD2 3.46Å; I1335-F1337 PolarHBondContact O-N 2.85Å; F1337-L1475 WeakPolarHBondContact CE1-O 3.1Å; F1337-Q1476 HydrophobicContact CD1-CG 4.17Å; F1337-Q1476 HydrophobicContact CE1-CG 4.28Å; F1337-I1776 CarbonylContact C-O 3.49Å; F1337-I1776 WeakPolarHBondContact CA-O 3.42Å; F1337-I1776 HydrophobicContact CD1-CG2 3.49Å; F1337-I1776 VanDerWaalsContact CD1-CG2 3.49Å; F1337-I1776 HydrophobicContact CE1-CG2 3.7Å; F1337-F1777 AromaticContact CD1-CD1 3.97Å; F1337-F1777 HydrophobicContact CD1-CD1 3.97Å; F1337-F1777 AromaticContact CD1-CE1 3.75Å; F1337-F1777 HydrophobicContact CD1-CE1 3.75Å; F1337-F1777 HydrophobicContact CE1-CD1 4.12Å; F1337-F1777 AromaticContact CE1-CE1 3.42Å; F1337-F1777 HydrophobicContact CE1-CE1 3.42Å; F1337-F1777 VanDerWaalsContact CE1-CE1 3.42Å; F1337-F1777 HydrophobicContact CE1-CZ 4.36Å; F1337-F1777 HydrophobicContact CG-CD1 4.42Å; F1337-F1777 HydrophobicContact CG-CE1 4.49Å; F1337-F1777 AromaticContact CZ-CE1 3.92Å; F1337-F1777 HydrophobicContact CZ-CE1 3.92Å |
| 1338 | H | 88.9 | Confident | 77.4 | Confident | 13 Ų | 13 | 29.1 Ų | 29.1 | 6% | 0.06 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -59.2 | 141.4 | 163.8 | -81.4 | -44.3 | 0 | 0 | 0 | 109.6 | P1336 V1342 R1346 Y1472 D1774 I1776 F1777 D1778 | P1336-H1338 PolarHBondContact O-N 2.78Å; H1338-V1342 HydrophobicContact CB-CB 4.04Å; H1338-V1342 HydrophobicContact CB-CG1 3.87Å; H1338-R1346 PolarHBondContact CE1-NH2 2.61Å; H1338-R1346 PolarHBondContact NE2-NE 3.37Å; H1338-R1346 PolarHBondContact NE2-NH1 2.98Å; H1338-R1346 PolarHBondContact NE2-NH2 2.83Å; H1338-R1346 VanDerWaalsContact NE2-NH2 3.16Å; H1338-Y1472 PolarHBondContact O-OH 3.16Å; H1338-D1774 PolarHBondContact CD2-O 3.01Å; H1338-D1774 VanDerWaalsContact CD2-O 3.29Å; H1338-D1774 PolarHBondContact NE2-O 3.3Å; H1338-I1776 PolarHBondContact N-O 3.29Å; H1338-F1777 VanDerWaalsContact CD2-C 3.49Å; H1338-F1777 PolarHBondContact CD2-O 3.11Å; H1338-F1777 PolarHBondContact NE2-O 2.72Å; H1338-D1778 WeakPolarHBondContact CE1-CA 3.48Å; H1338-D1778 WeakPolarHBondContact CE1-CB 3.38Å; H1338-D1778 VanDerWaalsContact CE1-CG 3.48Å; H1338-D1778 IonicContact CE1-OD1 3.99Å; H1338-D1778 IonicContact CE1-OD2 3.95Å |
| 1339 | S | 86.7 | Confident | 79.1 | Confident | 62 Ų | 62 | 28.7 Ų | 28.7 | 43% | 0.434 | 16% | 0.16 | S | C | . | . | P | Polyproline II helix | trans | -57.8 | 156.9 | 174.7 | 67.8 | 0 | 0 | 0 | 0 | 111.2 | Y1341 V1342 Y1343 | S1339-Y1341 PolarHBondContact O-N 3.36Å; S1339-V1342 PolarHBondContact O-N 2.86Å; S1339-V1342 WeakPolarHBondContact OG-CG2 3.34Å; S1339-V1342 PolarHBondContact OG-N 3.45Å; S1339-Y1343 PolarHBondContact O-N 3.33Å |
| 1340 | R | 88.6 | Confident | 80.3 | Confident | 20 Ų | 20 | 34.7 Ų | 34.7 | 8% | 0.075 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56 | -39.5 | -178.5 | -170 | 175 | -59.7 | -164.8 | 3.4 | 112.2 | Y1343 A1344 Y1472 D1473 M1857 Y1858 | R1340-Y1343 PolarHBondContact O-N 2.82Å; R1340-A1344 VanDerWaalsContact O-CB 3.25Å; R1340-A1344 WeakPolarHBondContact O-CB 3.37Å; R1340-A1344 PolarHBondContact O-N 3.5Å; R1340-Y1472 HydrophobicContact CB-CD1 4.08Å; R1340-Y1472 HydrophobicContact CB-CE1 3.66Å; R1340-Y1472 HydrophobicContact CG-CD1 3.83Å; R1340-Y1472 HydrophobicContact CG-CE1 3.95Å; R1340-Y1472 HydrophobicContact CG-CG 4.25Å; R1340-Y1472 PolarHBondContact N-OH 3.43Å; R1340-D1473 IonicContact CZ-OD1 3.31Å; R1340-D1473 IonicContact NH1-OD1 3.28Å; R1340-D1473 IonicContact NH1-OD2 3.6Å; R1340-D1473 IonicContact NH2-OD1 3.88Å; R1340-D1473 PolarHBondContact NH2-OD1 3.14Å; R1340-D1473 IonicContact NH2-OD2 2.79Å; R1340-M1857 PolarHBondContact NH1-SD 2.93Å; R1340-Y1858 HydrophobicContact CG-CE1 3.76Å |
| 1341 | Y | 87.6 | Confident | 81.3 | Confident | 69 Ų | 69 | 39 Ų | 39 | 27% | 0.271 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -56.4 | -51.4 | 171.2 | 177.2 | -91.7 | 0 | 0 | 0 | 112.4 | S1339 A1344 A1345 I1357 E1861 W1862 | S1339-Y1341 PolarHBondContact O-N 3.36Å; Y1341-A1344 PolarHBondContact O-N 2.91Å; Y1341-A1345 WeakPolarHBondContact O-CB 3.14Å; Y1341-A1345 PolarHBondContact O-N 3.42Å; Y1341-I1357 HydrophobicContact CE2-CG2 3.83Å; Y1341-I1357 WeakPolarHBondContact OH-CG2 3.35Å; Y1341-E1861 VanDerWaalsContact CD2-O 3.31Å; Y1341-E1861 WeakPolarHBondContact CD2-O 3.48Å; Y1341-W1862 HydrophobicContact CD2-CD2 4.42Å; Y1341-W1862 AromaticContact CD2-CE3 3.43Å; Y1341-W1862 HydrophobicContact CD2-CE3 3.43Å; Y1341-W1862 VanDerWaalsContact CD2-CE3 3.43Å; Y1341-W1862 AromaticContact CD2-CZ3 3.82Å; Y1341-W1862 HydrophobicContact CD2-CZ3 3.82Å; Y1341-W1862 HydrophobicContact CE2-CD2 4.29Å; Y1341-W1862 AromaticContact CE2-CE3 3.57Å; Y1341-W1862 HydrophobicContact CE2-CE3 3.57Å; Y1341-W1862 AromaticContact CE2-CZ3 3.85Å; Y1341-W1862 HydrophobicContact CE2-CZ3 3.85Å; Y1341-W1862 HydrophobicContact CG-CE3 4.37Å; Y1341-W1862 HydrophobicContact CG-CZ3 4.43Å |
| 1342 | V | 88.3 | Confident | 82.3 | Confident | 43 Ų | 43 | 42 Ų | 42 | 26% | 0.261 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.4 | -42.9 | -179.7 | 175.8 | 0 | 0 | 0 | 0 | 110.6 | H1338 S1339 A1345 R1346 | H1338-V1342 HydrophobicContact CB-CB 4.04Å; H1338-V1342 HydrophobicContact CB-CG1 3.87Å; S1339-V1342 PolarHBondContact O-N 2.86Å; S1339-V1342 WeakPolarHBondContact OG-CG2 3.34Å; S1339-V1342 PolarHBondContact OG-N 3.45Å; V1342-A1345 PolarHBondContact O-N 3.33Å; V1342-R1346 HydrophobicContact CG1-CG 4.22Å; V1342-R1346 WeakPolarHBondContact O-CB 3.37Å; V1342-R1346 VanDerWaalsContact O-CG 3.24Å; V1342-R1346 WeakPolarHBondContact O-CG 3.22Å; V1342-R1346 PolarHBondContact O-N 3.47Å |
| 1343 | Y | 91.3 | Very high | 83.8 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.7 | -50.9 | 174.4 | 170.7 | -97.8 | 0 | 0 | 0 | 111.7 | S1339 R1340 A1345 R1346 V1347 A1468 Y1472 L1475 I1769 F1775 I1776 | S1339-Y1343 PolarHBondContact O-N 3.33Å; R1340-Y1343 PolarHBondContact O-N 2.82Å; Y1343-A1345 VanDerWaalsContact C-N 3.32Å; Y1343-A1345 PolarHBondContact O-N 2.92Å; Y1343-R1346 PolarHBondContact O-N 3.3Å; Y1343-R1346 VanDerWaalsContact O-N 3.16Å; Y1343-V1347 HydrophobicContact CD1-CG2 4.39Å; Y1343-V1347 HydrophobicContact CD2-CG2 4.07Å; Y1343-V1347 HydrophobicContact CE1-CG2 4.02Å; Y1343-V1347 HydrophobicContact CE2-CG2 3.66Å; Y1343-V1347 HydrophobicContact CG-CG2 4.42Å; Y1343-V1347 WeakPolarHBondContact O-CB 3.3Å; Y1343-V1347 WeakPolarHBondContact O-CG2 3.33Å; Y1343-V1347 PolarHBondContact O-N 2.84Å; Y1343-A1468 WeakPolarHBondContact CE1-O 3.33Å; Y1343-A1468 PolarHBondContact OH-O 3.28Å; Y1343-Y1472 AromaticContact CD1-CD2 3.29Å; Y1343-Y1472 HydrophobicContact CD1-CD2 3.29Å; Y1343-Y1472 HydrophobicContact CD1-CE2 4.01Å; Y1343-Y1472 AromaticContact CD1-CG 3.98Å; Y1343-Y1472 HydrophobicContact CD1-CG 3.98Å; Y1343-Y1472 AromaticContact CD2-CD2 3.93Å; Y1343-Y1472 HydrophobicContact CD2-CD2 3.93Å; Y1343-Y1472 HydrophobicContact CD2-CE2 4.23Å; Y1343-Y1472 AromaticContact CE1-CD2 3.78Å; Y1343-Y1472 HydrophobicContact CE1-CD2 3.78Å; Y1343-Y1472 HydrophobicContact CE1-CG 4.28Å; Y1343-Y1472 HydrophobicContact CE2-CD2 4.35Å; Y1343-Y1472 AromaticContact CG-CD2 3.37Å; Y1343-Y1472 HydrophobicContact CG-CD2 3.37Å; Y1343-Y1472 AromaticContact CG-CE2 3.66Å; Y1343-Y1472 HydrophobicContact CG-CE2 3.66Å; Y1343-Y1472 HydrophobicContact CG-CG 4.45Å; Y1343-L1475 HydrophobicContact CE2-CD1 3.96Å; Y1343-L1475 WeakPolarHBondContact OH-CD1 3.42Å; Y1343-I1769 HydrophobicContact CE2-CD1 4.27Å; Y1343-F1775 WeakPolarHBondContact CD2-O 3.41Å; Y1343-I1776 HydrophobicContact CD2-CG1 3.96Å; Y1343-I1776 HydrophobicContact CE2-CG1 3.77Å |
| 1344 | A | 90 | Very high | 84.8 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.2 | -43.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | R1340 Y1341 R1346 V1347 L1348 M1421 L1469 Y1858 W1862 | R1340-A1344 VanDerWaalsContact O-CB 3.25Å; R1340-A1344 WeakPolarHBondContact O-CB 3.37Å; R1340-A1344 PolarHBondContact O-N 3.5Å; Y1341-A1344 PolarHBondContact O-N 2.91Å; A1344-R1346 PolarHBondContact O-N 2.95Å; A1344-V1347 PolarHBondContact O-N 2.86Å; A1344-L1348 HydrophobicContact CB-CD1 4.48Å; A1344-L1348 WeakPolarHBondContact O-CB 3.4Å; A1344-L1348 WeakPolarHBondContact O-CG 3.48Å; A1344-L1348 PolarHBondContact O-N 2.73Å; A1344-M1421 HydrophobicContact CB-CE 4.15Å; A1344-L1469 HydrophobicContact CB-CD2 3.78Å; A1344-Y1858 HydrophobicContact CB-CE1 4.36Å; A1344-W1862 HydrophobicContact CB-CE3 4.41Å; A1344-W1862 HydrophobicContact CB-CH2 4.39Å; A1344-W1862 HydrophobicContact CB-CZ3 3.84Å |
| 1345 | A | 88.3 | Confident | 85.1 | Confident | 8 Ų | 8 | 46.6 Ų | 46.6 | 7% | 0.066 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.1 | -43.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y1341 V1342 Y1343 F1349 I1357 W1862 | Y1341-A1345 WeakPolarHBondContact O-CB 3.14Å; Y1341-A1345 PolarHBondContact O-N 3.42Å; V1342-A1345 PolarHBondContact O-N 3.33Å; Y1343-A1345 VanDerWaalsContact C-N 3.32Å; Y1343-A1345 PolarHBondContact O-N 2.92Å; A1345-F1349 PolarHBondContact O-N 3.29Å; A1345-F1349 VanDerWaalsContact O-O 3.09Å; A1345-I1357 HydrophobicContact CB-CD1 3.41Å; A1345-I1357 VanDerWaalsContact CB-CD1 3.41Å; A1345-W1862 HydrophobicContact CB-CH2 4.06Å; A1345-W1862 HydrophobicContact CB-CZ3 4.17Å |
| 1346 | R | 89.9 | Confident | 84.7 | Confident | 53 Ų | 53 | 46 Ų | 46 | 20% | 0.2 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.1 | -34.7 | 179.3 | -68.1 | -171.6 | 177.4 | -138.1 | 0.4 | 112.7 | H1338 V1342 Y1343 A1344 D1774 F1775 | H1338-R1346 PolarHBondContact CE1-NH2 2.61Å; H1338-R1346 PolarHBondContact NE2-NE 3.37Å; H1338-R1346 PolarHBondContact NE2-NH1 2.98Å; H1338-R1346 PolarHBondContact NE2-NH2 2.83Å; H1338-R1346 VanDerWaalsContact NE2-NH2 3.16Å; V1342-R1346 HydrophobicContact CG1-CG 4.22Å; V1342-R1346 WeakPolarHBondContact O-CB 3.37Å; V1342-R1346 VanDerWaalsContact O-CG 3.24Å; V1342-R1346 WeakPolarHBondContact O-CG 3.22Å; V1342-R1346 PolarHBondContact O-N 3.47Å; Y1343-R1346 PolarHBondContact O-N 3.3Å; Y1343-R1346 VanDerWaalsContact O-N 3.16Å; A1344-R1346 PolarHBondContact O-N 2.95Å; R1346-D1774 WeakPolarHBondContact CD-O 3.44Å; R1346-D1774 PolarHBondContact NH1-O 3.48Å; R1346-F1775 HydrophobicContact CB-CB 4.46Å; R1346-F1775 HydrophobicContact CB-CD1 4.03Å; R1346-F1775 HydrophobicContact CB-CG 4.28Å |
| 1347 | V | 89.1 | Confident | 83.8 | Confident | 16 Ų | 16 | 44.9 Ų | 44.9 | 10% | 0.097 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -78 | -41.4 | 178.9 | 168.3 | 0 | 0 | 0 | 0 | 112.4 | Y1343 A1344 K1461 A1468 F1775 | Y1343-V1347 HydrophobicContact CD1-CG2 4.39Å; Y1343-V1347 HydrophobicContact CD2-CG2 4.07Å; Y1343-V1347 HydrophobicContact CE1-CG2 4.02Å; Y1343-V1347 HydrophobicContact CE2-CG2 3.66Å; Y1343-V1347 HydrophobicContact CG-CG2 4.42Å; Y1343-V1347 WeakPolarHBondContact O-CB 3.3Å; Y1343-V1347 WeakPolarHBondContact O-CG2 3.33Å; Y1343-V1347 PolarHBondContact O-N 2.84Å; A1344-V1347 PolarHBondContact O-N 2.86Å; V1347-K1461 PolarHBondContact O-NZ 3.09Å; V1347-A1468 HydrophobicContact CG1-CB 3.51Å; V1347-A1468 HydrophobicContact CG2-CB 4.47Å; V1347-F1775 HydrophobicContact CG2-CD2 4.39Å |
| 1348 | L | 89.9 | Confident | 82.5 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -74.7 | -42.3 | -178.3 | -67.3 | 172.5 | 0 | 0 | 0 | 111.1 | A1344 S1414 T1417 A1418 M1421 N1465 W1862 | A1344-L1348 HydrophobicContact CB-CD1 4.48Å; A1344-L1348 WeakPolarHBondContact O-CB 3.4Å; A1344-L1348 WeakPolarHBondContact O-CG 3.48Å; A1344-L1348 PolarHBondContact O-N 2.73Å; L1348-S1414 WeakPolarHBondContact O-CB 3.48Å; L1348-S1414 PolarHBondContact O-OG 2.92Å; L1348-T1417 HydrophobicContact CD2-CG2 3.87Å; L1348-A1418 HydrophobicContact CD1-CB 4.21Å; L1348-M1421 HydrophobicContact CD1-CE 4.31Å; L1348-M1421 HydrophobicContact CD1-SD 4.07Å; L1348-N1465 HydrophobicContact CD2-CB 3.72Å; L1348-N1465 WeakPolarHBondContact CD2-ND2 3.44Å; L1348-W1862 HydrophobicContact CD1-CH2 3.97Å; L1348-W1862 HydrophobicContact CD1-CZ2 3.91Å |
| 1349 | F | 90.1 | Very high | 80.8 | Confident | 3 Ų | 3 | 51 Ų | 51 | 1% | 0.013 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -129.5 | 139.4 | -169.7 | -57.1 | -74.1 | 0 | 0 | 0 | 112.6 | A1345 Q1353 R1354 I1357 Y1411 L1415 A1418 W1862 | A1345-F1349 PolarHBondContact O-N 3.29Å; A1345-F1349 VanDerWaalsContact O-O 3.09Å; F1349-Q1353 HydrophobicContact CB-CB 3.98Å; F1349-Q1353 HydrophobicContact CD1-CB 4.27Å; F1349-R1354 HydrophobicContact CB-CG 4.08Å; F1349-R1354 PolarHBondContact O-NE 3.47Å; F1349-I1357 HydrophobicContact CD2-CD1 3.88Å; F1349-I1357 HydrophobicContact CD2-CG1 4.14Å; F1349-I1357 HydrophobicContact CE2-CD1 4.31Å; F1349-I1357 HydrophobicContact CE2-CG1 4.19Å; F1349-Y1411 HydrophobicContact CD1-CD2 4.23Å; F1349-Y1411 AromaticContact CD1-CE2 3.81Å; F1349-Y1411 HydrophobicContact CD1-CE2 3.81Å; F1349-Y1411 HydrophobicContact CE1-CD2 4.32Å; F1349-Y1411 AromaticContact CE1-CE2 3.88Å; F1349-Y1411 HydrophobicContact CE1-CE2 3.88Å; F1349-L1415 HydrophobicContact CE1-CD2 3.85Å; F1349-L1415 HydrophobicContact CE1-CG 4.3Å; F1349-L1415 HydrophobicContact CZ-CD2 4.06Å; F1349-A1418 HydrophobicContact CE2-CB 4Å; F1349-A1418 HydrophobicContact CZ-CB 3.85Å; F1349-W1862 HydrophobicContact CE2-CZ2 4.11Å |
| 1350 | K | 82.3 | Confident | 79.2 | Confident | 149 Ų | 149 | 53.9 Ų | 53.9 | 65% | 0.648 | 27% | 0.267 | S | S | * | . | trans | -65.5 | 161 | 167.4 | -68.3 | -174 | 178.4 | -177.2 | 0 | 110.5 | D1352 Q1353 R1354 | K1350-D1352 WeakPolarHBondContact CB-OD1 3.27Å; K1350-D1352 PolarHBondContact O-N 3.33Å; K1350-Q1353 HydrophobicContact CB-CG 4.47Å; K1350-Q1353 WeakPolarHBondContact O-CA 3.25Å; K1350-Q1353 WeakPolarHBondContact O-CB 3.49Å; K1350-Q1353 PolarHBondContact O-N 2.68Å; K1350-R1354 WeakPolarHBondContact O-CG 3.48Å; K1350-R1354 PolarHBondContact O-N 3.25Å | ||
| 1351 | E | 74.9 | Confident | 77.3 | Confident | 105 Ų | 105 | 56.6 Ų | 56.6 | 49% | 0.491 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -56.4 | -37 | -173 | -156.5 | 168.7 | -155.5 | 0 | 0 | 113.1 | Q1353 R1649 | E1351-Q1353 VanDerWaalsContact C-N 3.33Å; E1351-Q1353 PolarHBondContact O-N 3Å; E1351-R1649 IonicContact OE1-CZ 3.63Å; E1351-R1649 IonicContact OE1-NH1 3.56Å; E1351-R1649 PolarHBondContact OE1-NH1 3.02Å; E1351-R1649 IonicContact OE1-NH2 2.96Å; E1351-R1649 PolarHBondContact OE1-NH2 3.45Å; E1351-R1649 IonicContact OE2-CZ 3.18Å; E1351-R1649 IonicContact OE2-NH1 3.14Å; E1351-R1649 PolarHBondContact OE2-NH1 3.34Å; E1351-R1649 VanDerWaalsContact OE2-NH1 3.12Å; E1351-R1649 IonicContact OE2-NH2 2.68Å |
| 1352 | D | 77.4 | Confident | 75.5 | Confident | 126 Ų | 126 | 55.3 Ų | 55.3 | 67% | 0.674 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -71 | -20.4 | 174.6 | 59.5 | -34.2 | 0 | 0 | 0 | 114.4 | K1350 | K1350-D1352 WeakPolarHBondContact CB-OD1 3.27Å; K1350-D1352 PolarHBondContact O-N 3.33Å |
| 1353 | Q | 80.1 | Confident | 73.7 | Confident | 55 Ų | 55 | 62.7 Ų | 62.7 | 26% | 0.257 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -98.5 | -8.4 | -177.2 | -65.8 | 178.6 | -17.7 | 0 | 0 | 113.8 | F1349 K1350 E1351 S1355 V1356 Y1411 | F1349-Q1353 HydrophobicContact CB-CB 3.98Å; F1349-Q1353 HydrophobicContact CD1-CB 4.27Å; K1350-Q1353 HydrophobicContact CB-CG 4.47Å; K1350-Q1353 WeakPolarHBondContact O-CA 3.25Å; K1350-Q1353 WeakPolarHBondContact O-CB 3.49Å; K1350-Q1353 PolarHBondContact O-N 2.68Å; E1351-Q1353 VanDerWaalsContact C-N 3.33Å; E1351-Q1353 PolarHBondContact O-N 3Å; Q1353-S1355 PolarHBondContact O-N 3.03Å; Q1353-V1356 PolarHBondContact O-N 2.82Å; Q1353-Y1411 HydrophobicContact CB-CE2 4.06Å; Q1353-Y1411 HydrophobicContact CG-CD2 4.44Å; Q1353-Y1411 HydrophobicContact CG-CE2 4.04Å |
| 1354 | R | 73.9 | Confident | 71.8 | Confident | 52 Ų | 52 | 71.3 Ų | 71.3 | 20% | 0.196 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -68.5 | -14.2 | -174.8 | -73.5 | 171.8 | -165.1 | 163.5 | 8.3 | 114.3 | F1349 K1350 V1356 I1357 | F1349-R1354 HydrophobicContact CB-CG 4.08Å; F1349-R1354 PolarHBondContact O-NE 3.47Å; K1350-R1354 WeakPolarHBondContact O-CG 3.48Å; K1350-R1354 PolarHBondContact O-N 3.25Å; R1354-V1356 PolarHBondContact O-N 2.74Å; R1354-V1356 VanDerWaalsContact O-N 3.15Å; R1354-I1357 PolarHBondContact O-N 3.02Å; R1354-I1357 VanDerWaalsContact O-N 3.1Å |
| 1355 | S | 72.3 | Confident | 69.9 | Low | 80 Ų | 80 | 76.5 Ų | 76.5 | 56% | 0.559 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -59.1 | -23.1 | 176.7 | 57.9 | 0 | 0 | 0 | 0 | 113.2 | Q1353 I1357 Q1358 | Q1353-S1355 PolarHBondContact O-N 3.03Å; S1355-I1357 PolarHBondContact O-N 2.93Å; S1355-Q1358 PolarHBondContact O-N 3.44Å |
| 1356 | V | 73.4 | Confident | 68.1 | Low | 17 Ų | 17 | 80.1 Ų | 80.1 | 10% | 0.103 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -58.9 | -26.4 | 175.1 | 176.3 | 0 | 0 | 0 | 0 | 112.8 | Q1353 R1354 Y1411 L1415 G1866 E1870 | Q1353-V1356 PolarHBondContact O-N 2.82Å; R1354-V1356 PolarHBondContact O-N 2.74Å; R1354-V1356 VanDerWaalsContact O-N 3.15Å; V1356-Y1411 VanDerWaalsContact CG2-OH 3.24Å; V1356-Y1411 WeakPolarHBondContact CG2-OH 3.43Å; V1356-L1415 HydrophobicContact CG1-CD2 4.04Å; V1356-G1866 WeakPolarHBondContact O-CA 3.28Å; V1356-E1870 HydrophobicContact CG1-CG 4.13Å; V1356-E1870 HydrophobicContact CG2-CG 4.11Å |
| 1357 | I | 68.8 | Low | 66.3 | Low | 13 Ų | 13 | 86.2 Ų | 86.2 | 7% | 0.067 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -94.4 | -20.1 | -176 | -30.4 | 159.3 | 0 | 0 | 0 | 111.5 | Y1341 A1345 F1349 R1354 S1355 L1359 W1862 | Y1341-I1357 HydrophobicContact CE2-CG2 3.83Å; Y1341-I1357 WeakPolarHBondContact OH-CG2 3.35Å; A1345-I1357 HydrophobicContact CB-CD1 3.41Å; A1345-I1357 VanDerWaalsContact CB-CD1 3.41Å; F1349-I1357 HydrophobicContact CD2-CD1 3.88Å; F1349-I1357 HydrophobicContact CD2-CG1 4.14Å; F1349-I1357 HydrophobicContact CE2-CD1 4.31Å; F1349-I1357 HydrophobicContact CE2-CG1 4.19Å; R1354-I1357 PolarHBondContact O-N 3.02Å; R1354-I1357 VanDerWaalsContact O-N 3.1Å; S1355-I1357 PolarHBondContact O-N 2.93Å; I1357-L1359 PolarHBondContact O-N 2.75Å; I1357-W1862 HydrophobicContact CD1-CH2 3.5Å; I1357-W1862 VanDerWaalsContact CD1-CH2 3.5Å; I1357-W1862 HydrophobicContact CD1-CZ2 3.95Å; I1357-W1862 HydrophobicContact CD1-CZ3 4.32Å; I1357-W1862 HydrophobicContact CG1-CH2 4.04Å; I1357-W1862 HydrophobicContact CG1-CZ2 3.97Å; I1357-W1862 HydrophobicContact CG2-CD2 4.31Å; I1357-W1862 HydrophobicContact CG2-CE3 4.43Å; I1357-W1862 HydrophobicContact CG2-CH2 3.92Å; I1357-W1862 HydrophobicContact CG2-CZ2 3.75Å; I1357-W1862 HydrophobicContact CG2-CZ3 4.24Å |
| 1358 | Q | 60.7 | Low | 64.3 | Low | 138 Ų | 138 | 88.2 Ų | 88.2 | 65% | 0.645 | 45% | 0.445 | S | S | * | . | trans | -87.3 | 105.8 | -178.9 | -78.9 | -176.6 | -16.9 | 0 | 0 | 111.3 | S1355 D1360 | S1355-Q1358 PolarHBondContact O-N 3.44Å; Q1358-D1360 PolarHBondContact O-N 2.63Å | ||
| 1359 | L | 53.9 | Low | 62.4 | Low | 57 Ų | 57 | 91.6 Ų | 91.6 | 30% | 0.298 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 2.5 | -175 | -133.1 | 82.9 | 0 | 0 | 0 | 116 | I1357 T1361 L1362 D1863 | I1357-L1359 PolarHBondContact O-N 2.75Å; L1359-T1361 PolarHBondContact O-N 2.75Å; L1359-T1361 VanDerWaalsContact O-N 3.07Å; L1359-L1362 HydrophobicContact CD1-CD1 3.82Å; L1359-L1362 HydrophobicContact CD2-CB 4.34Å; L1359-L1362 HydrophobicContact CD2-CD1 4.06Å; L1359-L1362 HydrophobicContact CG-CB 4.09Å; L1359-L1362 HydrophobicContact CG-CD1 3.77Å; L1359-L1362 HydrophobicContact CG-CG 4.27Å; L1359-L1362 PolarHBondContact O-N 3.02Å; L1359-D1863 HydrophobicContact CD1-CB 4.13Å; L1359-D1863 WeakPolarHBondContact CD1-OD2 3.47Å; L1359-D1863 WeakPolarHBondContact CD2-OD2 3.47Å |
| 1360 | D | 52.4 | Low | 60.8 | Low | 122 Ų | 122 | 95 Ų | 95 | 65% | 0.652 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.3 | -20.2 | 179.4 | -91.1 | -14.4 | 0 | 0 | 0 | 112.7 | Q1358 | Q1358-D1360 PolarHBondContact O-N 2.63Å |
| 1361 | T | 49 | Very low | 59.7 | Low | 78 Ų | 78 | 89.2 Ų | 89.2 | 48% | 0.479 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71.5 | -29.9 | 170.6 | 13.7 | 0 | 0 | 0 | 0 | 113.3 | L1359 | L1359-T1361 PolarHBondContact O-N 2.75Å; L1359-T1361 VanDerWaalsContact O-N 3.07Å |
| 1362 | L | 49.8 | Very low | 59.3 | Low | 41 Ų | 41 | 87.3 Ų | 87.3 | 22% | 0.215 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -76.4 | -29.9 | 178.6 | -75.7 | 178.1 | 0 | 0 | 0 | 112.7 | L1359 K1364 L1365 S1366 | L1359-L1362 HydrophobicContact CD1-CD1 3.82Å; L1359-L1362 HydrophobicContact CD2-CB 4.34Å; L1359-L1362 HydrophobicContact CD2-CD1 4.06Å; L1359-L1362 HydrophobicContact CG-CB 4.09Å; L1359-L1362 HydrophobicContact CG-CD1 3.77Å; L1359-L1362 HydrophobicContact CG-CG 4.27Å; L1359-L1362 PolarHBondContact O-N 3.02Å; L1362-K1364 VanDerWaalsContact C-N 3.26Å; L1362-K1364 PolarHBondContact O-N 3.42Å; L1362-L1365 PolarHBondContact O-N 2.93Å; L1362-L1365 VanDerWaalsContact O-N 3.16Å; L1362-S1366 PolarHBondContact O-N 2.55Å; L1362-S1366 VanDerWaalsContact O-N 3.09Å |
| 1363 | R | 50.8 | Low | 59 | Low | 198 Ų | 198 | 90.6 Ų | 90.6 | 75% | 0.747 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.6 | -29 | 176.5 | -117.4 | -179.3 | -169.4 | 159.2 | 2.2 | 113.1 | S1366 | R1363-S1366 PolarHBondContact O-OG 3.3Å |
| 1364 | K | 50.6 | Low | 58.7 | Low | 182 Ų | 182 | 91 Ų | 91 | 79% | 0.791 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -77.7 | -23.9 | 174.8 | -74.5 | -176 | 177.5 | 177.8 | 0 | 113.4 | L1362 | L1362-K1364 VanDerWaalsContact C-N 3.26Å; L1362-K1364 PolarHBondContact O-N 3.42Å |
| 1365 | L | 49.7 | Very low | 58.8 | Low | 109 Ų | 109 | 92.8 Ų | 92.8 | 57% | 0.571 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -92.5 | -17.9 | 180 | -77.9 | 158.9 | 0 | 0 | 0 | 113.8 | L1362 Q1367 | L1362-L1365 PolarHBondContact O-N 2.93Å; L1362-L1365 VanDerWaalsContact O-N 3.16Å; L1365-Q1367 PolarHBondContact O-N 3.29Å |
| 1366 | S | 51.9 | Low | 59.3 | Low | 83 Ų | 83 | 94.1 Ų | 94.1 | 58% | 0.58 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -4.7 | -178.6 | 70.5 | 0 | 0 | 0 | 0 | 115 | L1362 R1363 | L1362-S1366 PolarHBondContact O-N 2.55Å; L1362-S1366 VanDerWaalsContact O-N 3.09Å; R1363-S1366 PolarHBondContact O-OG 3.3Å |
| 1367 | Q | 50.5 | Low | 59.7 | Low | 181 Ų | 181 | 93.4 Ų | 93.4 | 85% | 0.846 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -2.3 | -177.5 | -73.1 | -173.9 | -10.8 | 0 | 0 | 115.2 | L1365 | L1365-Q1367 PolarHBondContact O-N 3.29Š|
| 1368 | A | 48.3 | Very low | 60.5 | Low | 58 Ų | 58 | 94.1 Ų | 94.1 | 48% | 0.479 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -120.4 | 134.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1370 A1371 | A1368-A1370 PolarHBondContact O-N 2.86Å; A1368-A1371 WeakPolarHBondContact O-CB 3.45Å; A1368-A1371 PolarHBondContact O-N 3.25Å |
| 1369 | G | 50 | Low | 61.7 | Low | 77 Ų | 77 | 92.4 Ų | 92.4 | 79% | 0.794 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -17.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | A1371 | G1369-A1371 PolarHBondContact O-N 3.41Š|
| 1370 | A | 55.6 | Low | 63.3 | Low | 75 Ų | 75 | 92.8 Ų | 92.8 | 62% | 0.62 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -21.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A1368 A1372 | A1368-A1370 PolarHBondContact O-N 2.86Å; A1370-A1372 PolarHBondContact O-N 2.88Å |
| 1371 | A | 60.3 | Low | 65.2 | Low | 27 Ų | 27 | 87 Ų | 87 | 22% | 0.223 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -63 | -23.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A1368 G1369 H1375 | A1368-A1371 WeakPolarHBondContact O-CB 3.45Å; A1368-A1371 PolarHBondContact O-N 3.25Å; G1369-A1371 PolarHBondContact O-N 3.41Å; A1371-H1375 WeakPolarHBondContact O-CB 3.49Å; A1371-H1375 PolarHBondContact O-N 3.39Å; A1371-H1375 PolarHBondContact O-ND1 2.82Å |
| 1372 | A | 66.7 | Low | 67.2 | Low | 64 Ų | 64 | 85 Ų | 85 | 53% | 0.529 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -74.2 | -43.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A1370 H1375 N1376 | A1370-A1372 PolarHBondContact O-N 2.88Å; A1372-H1375 PolarHBondContact O-N 2.9Å; A1372-N1376 PolarHBondContact O-N 3Å; A1372-N1376 VanDerWaalsContact O-N 3.13Å |
| 1373 | R | 70.7 | Confident | 69.2 | Low | 196 Ų | 196 | 87.3 Ų | 87.3 | 74% | 0.74 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -66.5 | -43.1 | 177.3 | -85.9 | -175.4 | -173.9 | 150.3 | 2.6 | 111.5 | N1376 A1377 T1907 | R1373-N1376 PolarHBondContact O-N 3.26Å; R1373-A1377 PolarHBondContact O-N 3.43Å; R1373-T1907 HydrophobicContact CB-CG2 4.29Å |
| 1374 | W | 74.5 | Confident | 71.1 | Confident | 64 Ų | 64 | 78 Ų | 78 | 24% | 0.242 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 177.3 | -112.6 | 117.9 | 0 | 0 | 0 | 112.1 | N1376 A1377 I1378 F1872 L1873 L1876 P1909 | W1374-N1376 VanDerWaalsContact C-N 3.34Å; W1374-N1376 PolarHBondContact O-N 3.23Å; W1374-A1377 PolarHBondContact O-N 3.32Å; W1374-I1378 HydrophobicContact CE3-CD1 3.6Å; W1374-I1378 HydrophobicContact CE3-CG1 3.75Å; W1374-I1378 HydrophobicContact CZ3-CD1 3.76Å; W1374-I1378 HydrophobicContact CZ3-CG1 3.8Å; W1374-I1378 WeakPolarHBondContact O-CG1 3.49Å; W1374-I1378 PolarHBondContact O-N 2.9Å; W1374-F1872 HydrophobicContact CE3-CE1 4.25Å; W1374-F1872 AromaticContact CH2-CD1 3.88Å; W1374-F1872 HydrophobicContact CH2-CD1 3.88Å; W1374-F1872 AromaticContact CH2-CE1 3.85Å; W1374-F1872 HydrophobicContact CH2-CE1 3.85Å; W1374-F1872 AromaticContact CZ3-CD1 3.46Å; W1374-F1872 HydrophobicContact CZ3-CD1 3.46Å; W1374-F1872 VanDerWaalsContact CZ3-CD1 3.46Å; W1374-F1872 AromaticContact CZ3-CE1 3.45Å; W1374-F1872 HydrophobicContact CZ3-CE1 3.45Å; W1374-F1872 VanDerWaalsContact CZ3-CE1 3.45Å; W1374-L1873 HydrophobicContact CH2-CD2 4.42Å; W1374-L1876 HydrophobicContact CH2-CD1 4.39Å; W1374-P1909 HydrophobicContact CH2-CB 4.45Å; W1374-P1909 HydrophobicContact CH2-CG 3.94Å; W1374-P1909 HydrophobicContact CZ2-CB 3.4Å; W1374-P1909 VanDerWaalsContact CZ2-CB 3.4Å; W1374-P1909 HydrophobicContact CZ2-CG 3.32Å |
| 1375 | H | 75.5 | Confident | 73.1 | Confident | 89 Ų | 89 | 69.5 Ų | 69.5 | 41% | 0.412 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 172.5 | -100.4 | 86.7 | 0 | 0 | 0 | 112.4 | A1371 A1372 I1378 H1379 | A1371-H1375 WeakPolarHBondContact O-CB 3.49Å; A1371-H1375 PolarHBondContact O-N 3.39Å; A1371-H1375 PolarHBondContact O-ND1 2.82Å; A1372-H1375 PolarHBondContact O-N 2.9Å; H1375-I1378 PolarHBondContact O-N 3.04Å; H1375-H1379 VanDerWaalsContact O-CB 3.3Å; H1375-H1379 WeakPolarHBondContact O-CB 3.33Å; H1375-H1379 PolarHBondContact O-N 2.96Å |
| 1376 | N | 81.8 | Confident | 75.1 | Confident | 108 Ų | 108 | 68.8 Ų | 68.8 | 58% | 0.578 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.3 | -39.6 | 177.2 | -85.5 | -18.7 | 0 | 0 | 0 | 112.6 | A1372 R1373 W1374 H1379 Q1380 | A1372-N1376 PolarHBondContact O-N 3Å; A1372-N1376 VanDerWaalsContact O-N 3.13Å; R1373-N1376 PolarHBondContact O-N 3.26Å; W1374-N1376 VanDerWaalsContact C-N 3.34Å; W1374-N1376 PolarHBondContact O-N 3.23Å; N1376-H1379 PolarHBondContact O-N 2.76Å; N1376-Q1380 WeakPolarHBondContact O-CG 3.26Å; N1376-Q1380 PolarHBondContact O-N 3.35Å |
| 1377 | A | 82.9 | Confident | 77 | Confident | 2 Ų | 2 | 65.6 Ų | 65.6 | 2% | 0.017 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.8 | -48.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | R1373 W1374 H1379 Q1380 F1381 F1872 T1907 | R1373-A1377 PolarHBondContact O-N 3.43Å; W1374-A1377 PolarHBondContact O-N 3.32Å; A1377-H1379 VanDerWaalsContact C-N 3.31Å; A1377-H1379 PolarHBondContact O-N 2.96Å; A1377-Q1380 PolarHBondContact O-N 2.8Å; A1377-F1381 PolarHBondContact O-N 3.42Å; A1377-F1872 HydrophobicContact CB-CZ 4.25Å; A1377-T1907 WeakPolarHBondContact CB-OG1 3.48Å |
| 1378 | I | 85.4 | Confident | 78.9 | Confident | 28 Ų | 28 | 62.6 Ų | 62.6 | 14% | 0.144 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62 | -41.6 | 177.2 | -68 | 169.6 | 0 | 0 | 0 | 110.3 | W1374 H1375 Q1380 F1381 E1382 V1868 R1869 F1872 | W1374-I1378 HydrophobicContact CE3-CD1 3.6Å; W1374-I1378 HydrophobicContact CE3-CG1 3.75Å; W1374-I1378 HydrophobicContact CZ3-CD1 3.76Å; W1374-I1378 HydrophobicContact CZ3-CG1 3.8Å; W1374-I1378 WeakPolarHBondContact O-CG1 3.49Å; W1374-I1378 PolarHBondContact O-N 2.9Å; H1375-I1378 PolarHBondContact O-N 3.04Å; I1378-Q1380 PolarHBondContact O-N 2.04Å; I1378-F1381 PolarHBondContact O-N 2.76Å; I1378-E1382 WeakPolarHBondContact O-CB 3.44Å; I1378-E1382 PolarHBondContact O-N 2.79Å; I1378-V1868 HydrophobicContact CG2-CB 4.36Å; I1378-V1868 HydrophobicContact CG2-CG1 3.83Å; I1378-R1869 HydrophobicContact CD1-CB 4.35Å; I1378-R1869 HydrophobicContact CD1-CG 4.14Å; I1378-F1872 HydrophobicContact CG1-CD1 4.34Å |
| 1379 | H | 86 | Confident | 80.9 | Confident | 101 Ų | 101 | 60.8 Ų | 60.8 | 47% | 0.468 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.6 | -36.9 | 177.3 | -170.1 | -65.1 | 0 | 0 | 0 | 112.4 | H1375 N1376 A1377 E1382 Q1383 | H1375-H1379 VanDerWaalsContact O-CB 3.3Å; H1375-H1379 WeakPolarHBondContact O-CB 3.33Å; H1375-H1379 PolarHBondContact O-N 2.96Å; N1376-H1379 PolarHBondContact O-N 2.76Å; A1377-H1379 VanDerWaalsContact C-N 3.31Å; A1377-H1379 PolarHBondContact O-N 2.96Å; H1379-E1382 PolarHBondContact O-N 2.87Å; H1379-Q1383 WeakPolarHBondContact O-CG 3.4Å; H1379-Q1383 PolarHBondContact O-N 2.82Å; H1379-Q1383 VanDerWaalsContact O-N 3.14Å |
| 1380 | Q | 87.1 | Confident | 83 | Confident | 66 Ų | 66 | 57.1 Ų | 57.1 | 31% | 0.308 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.2 | -38.8 | 173.3 | -73.7 | 179.3 | 6.4 | 0 | 0 | 111.8 | N1376 A1377 I1378 Q1383 L1384 A1904 | N1376-Q1380 WeakPolarHBondContact O-CG 3.26Å; N1376-Q1380 PolarHBondContact O-N 3.35Å; A1377-Q1380 PolarHBondContact O-N 2.8Å; I1378-Q1380 PolarHBondContact O-N 2.04Å; Q1380-Q1383 WeakPolarHBondContact O-CB 3.13Å; Q1380-Q1383 PolarHBondContact O-N 2.79Å; Q1380-L1384 PolarHBondContact O-N 2.89Å; Q1380-A1904 HydrophobicContact CB-CB 3.72Å |
| 1381 | F | 92.7 | Very high | 84.7 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.2 | -38.7 | 174.1 | -178.4 | -107.1 | 0 | 0 | 0 | 112.4 | A1377 I1378 Q1383 L1384 L1385 F1390 F1394 V1868 L1871 F1872 A1875 F1901 A1904 | A1377-F1381 PolarHBondContact O-N 3.42Å; I1378-F1381 PolarHBondContact O-N 2.76Å; F1381-Q1383 VanDerWaalsContact C-N 3.29Å; F1381-Q1383 PolarHBondContact O-N 3.05Å; F1381-L1384 HydrophobicContact CD2-CD1 4.46Å; F1381-L1384 WeakPolarHBondContact O-CA 3.16Å; F1381-L1384 WeakPolarHBondContact O-CB 3.45Å; F1381-L1384 PolarHBondContact O-N 2.76Å; F1381-L1385 HydrophobicContact CD1-CD1 4.19Å; F1381-L1385 HydrophobicContact CD1-CG 4.33Å; F1381-L1385 HydrophobicContact CE1-CD1 3.82Å; F1381-L1385 HydrophobicContact CE1-CD2 4.05Å; F1381-L1385 HydrophobicContact CE1-CG 3.99Å; F1381-L1385 HydrophobicContact CZ-CD2 3.96Å; F1381-L1385 HydrophobicContact CZ-CG 4.32Å; F1381-L1385 PolarHBondContact O-N 3.21Å; F1381-L1385 VanDerWaalsContact O-N 3.1Å; F1381-F1390 HydrophobicContact CD2-CE1 4.46Å; F1381-F1390 HydrophobicContact CD2-CZ 4.46Å; F1381-F1390 AromaticContact CE2-CE1 3.85Å; F1381-F1390 HydrophobicContact CE2-CE1 3.85Å; F1381-F1390 AromaticContact CE2-CZ 3.93Å; F1381-F1390 HydrophobicContact CE2-CZ 3.93Å; F1381-F1390 HydrophobicContact CZ-CE1 4.47Å; F1381-F1394 HydrophobicContact CZ-CZ 4.31Å; F1381-V1868 HydrophobicContact CD1-CG1 3.92Å; F1381-L1871 HydrophobicContact CE1-CB 3.9Å; F1381-L1871 HydrophobicContact CZ-CB 4.46Å; F1381-F1872 HydrophobicContact CB-CD2 3.54Å; F1381-F1872 HydrophobicContact CB-CE2 3.96Å; F1381-F1872 HydrophobicContact CB-CG 4.45Å; F1381-F1872 HydrophobicContact CD1-CB 3.78Å; F1381-F1872 AromaticContact CD1-CD2 3.85Å; F1381-F1872 HydrophobicContact CD1-CD2 3.85Å; F1381-F1872 HydrophobicContact CD1-CG 4.28Å; F1381-F1872 AromaticContact CD2-CD2 3.8Å; F1381-F1872 HydrophobicContact CD2-CD2 3.8Å; F1381-F1872 HydrophobicContact CD2-CE2 4.4Å; F1381-F1872 HydrophobicContact CE1-CB 4.05Å; F1381-F1872 HydrophobicContact CE1-CD2 4.49Å; F1381-F1872 HydrophobicContact CE2-CD2 4.45Å; F1381-F1872 HydrophobicContact CG-CB 4.3Å; F1381-F1872 AromaticContact CG-CD2 3.45Å; F1381-F1872 HydrophobicContact CG-CD2 3.45Å; F1381-F1872 VanDerWaalsContact CG-CD2 3.45Å; F1381-F1872 HydrophobicContact CG-CE2 4.23Å; F1381-F1872 HydrophobicContact CG-CG 4.31Å; F1381-A1875 HydrophobicContact CD2-CB 4.29Å; F1381-A1875 HydrophobicContact CE2-CB 3.43Å; F1381-A1875 VanDerWaalsContact CE2-CB 3.43Å; F1381-A1875 HydrophobicContact CZ-CB 3.6Å; F1381-F1901 HydrophobicContact CD2-CD2 4.44Å; F1381-F1901 HydrophobicContact CD2-CE2 4.31Å; F1381-F1901 HydrophobicContact CE2-CE2 4.13Å; F1381-A1904 HydrophobicContact CB-CB 4.41Å |
| 1382 | E | 90.9 | Very high | 86.2 | Confident | 35 Ų | 35 | 52.5 Ų | 52.5 | 16% | 0.164 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.4 | -43.2 | 173.6 | -170.1 | 169.2 | -156.4 | 0 | 0 | 111.1 | I1378 H1379 L1384 L1385 Y1386 T1864 V1868 | I1378-E1382 WeakPolarHBondContact O-CB 3.44Å; I1378-E1382 PolarHBondContact O-N 2.79Å; H1379-E1382 PolarHBondContact O-N 2.87Å; E1382-L1384 PolarHBondContact O-N 3.23Å; E1382-L1385 WeakPolarHBondContact O-CB 3.29Å; E1382-L1385 PolarHBondContact O-N 2.87Å; E1382-L1385 VanDerWaalsContact O-N 3.07Å; E1382-Y1386 HydrophobicContact CG-CD2 4.47Å; E1382-Y1386 HydrophobicContact CG-CE2 3.96Å; E1382-Y1386 VanDerWaalsContact O-CD2 3.24Å; E1382-Y1386 WeakPolarHBondContact O-CD2 3.07Å; E1382-Y1386 PolarHBondContact O-N 3.01Å; E1382-T1864 PolarHBondContact OE1-OG1 2.79Å; E1382-V1868 HydrophobicContact CB-CG1 3.98Å; E1382-V1868 HydrophobicContact CG-CG1 4.44Å; E1382-V1868 HydrophobicContact CG-CG2 4.15Å |
| 1383 | Q | 90.5 | Very high | 87.4 | Confident | 91 Ų | 91 | 49.6 Ų | 49.6 | 43% | 0.425 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.3 | -31.2 | 174.5 | -71.7 | -175.3 | -4.2 | 0 | 0 | 113.3 | H1379 Q1380 F1381 Y1386 | H1379-Q1383 WeakPolarHBondContact O-CG 3.4Å; H1379-Q1383 PolarHBondContact O-N 2.82Å; H1379-Q1383 VanDerWaalsContact O-N 3.14Å; Q1380-Q1383 WeakPolarHBondContact O-CB 3.13Å; Q1380-Q1383 PolarHBondContact O-N 2.79Å; F1381-Q1383 VanDerWaalsContact C-N 3.29Å; F1381-Q1383 PolarHBondContact O-N 3.05Å; Q1383-Y1386 PolarHBondContact O-N 2.82Å |
| 1384 | L | 92 | Very high | 88.5 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -72.5 | -34.9 | 175.1 | -68.1 | 166.7 | 0 | 0 | 0 | 112 | Q1380 F1381 E1382 Y1386 S1387 F1390 L1897 R1900 F1901 A1904 | Q1380-L1384 PolarHBondContact O-N 2.89Å; F1381-L1384 HydrophobicContact CD2-CD1 4.46Å; F1381-L1384 WeakPolarHBondContact O-CA 3.16Å; F1381-L1384 WeakPolarHBondContact O-CB 3.45Å; F1381-L1384 PolarHBondContact O-N 2.76Å; E1382-L1384 PolarHBondContact O-N 3.23Å; L1384-Y1386 PolarHBondContact O-N 3.17Å; L1384-S1387 PolarHBondContact O-N 2.79Å; L1384-F1390 HydrophobicContact CB-CD1 3.65Å; L1384-F1390 HydrophobicContact CB-CD2 4.34Å; L1384-F1390 HydrophobicContact CB-CE1 3.7Å; L1384-F1390 HydrophobicContact CB-CE2 4.39Å; L1384-F1390 HydrophobicContact CB-CG 3.98Å; L1384-F1390 HydrophobicContact CB-CZ 4.09Å; L1384-F1390 HydrophobicContact CD1-CE2 4.3Å; L1384-F1390 HydrophobicContact CD1-CZ 4.21Å; L1384-F1390 HydrophobicContact CD2-CD2 4.37Å; L1384-F1390 WeakPolarHBondContact O-CB 3.44Å; L1384-F1390 VanDerWaalsContact O-CD1 3.31Å; L1384-F1390 WeakPolarHBondContact O-CD1 3.35Å; L1384-L1897 HydrophobicContact CD2-CD2 4.23Å; L1384-R1900 HydrophobicContact CD2-CB 3.76Å; L1384-F1901 VanDerWaalsContact CD1-CA 3.44Å; L1384-F1901 HydrophobicContact CD1-CB 3.87Å; L1384-F1901 HydrophobicContact CD1-CD2 3.99Å; L1384-F1901 HydrophobicContact CD1-CG 4.46Å; L1384-A1904 HydrophobicContact CD1-CB 4.41Å |
| 1385 | L | 92.9 | Very high | 89.4 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.9 | -22.9 | 175.2 | -64.9 | 179.3 | 0 | 0 | 0 | 112.4 | F1381 E1382 S1387 F1390 V1391 L1416 A1419 L1420 Y1426 V1868 L1871 | F1381-L1385 HydrophobicContact CD1-CD1 4.19Å; F1381-L1385 HydrophobicContact CD1-CG 4.33Å; F1381-L1385 HydrophobicContact CE1-CD1 3.82Å; F1381-L1385 HydrophobicContact CE1-CD2 4.05Å; F1381-L1385 HydrophobicContact CE1-CG 3.99Å; F1381-L1385 HydrophobicContact CZ-CD2 3.96Å; F1381-L1385 HydrophobicContact CZ-CG 4.32Å; F1381-L1385 PolarHBondContact O-N 3.21Å; F1381-L1385 VanDerWaalsContact O-N 3.1Å; E1382-L1385 WeakPolarHBondContact O-CB 3.29Å; E1382-L1385 PolarHBondContact O-N 2.87Å; E1382-L1385 VanDerWaalsContact O-N 3.07Å; L1385-S1387 VanDerWaalsContact C-N 3.28Å; L1385-S1387 PolarHBondContact O-N 2.66Å; L1385-F1390 HydrophobicContact CD2-CE1 4.33Å; L1385-V1391 HydrophobicContact CD2-CG2 4.45Å; L1385-V1391 WeakPolarHBondContact O-CG2 3.31Å; L1385-L1416 HydrophobicContact CD2-CD2 4.39Å; L1385-A1419 HydrophobicContact CD1-CB 4.32Å; L1385-L1420 HydrophobicContact CB-CD2 4.32Å; L1385-Y1426 VanDerWaalsContact O-CE1 3.26Å; L1385-Y1426 WeakPolarHBondContact O-CE1 3.37Å; L1385-Y1426 PolarHBondContact O-OH 3.03Å; L1385-V1868 HydrophobicContact CD1-CG1 4.21Å; L1385-V1868 HydrophobicContact CD1-CG2 4.33Å; L1385-L1871 HydrophobicContact CD1-CD1 3.98Å |
| 1386 | Y | 91.2 | Very high | 90.1 | Very high | 94 Ų | 94 | 37.9 Ų | 37.9 | 37% | 0.369 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 6.4 | 171.4 | -71.2 | -73.7 | 0 | 0 | 0 | 114.6 | E1382 Q1383 L1384 N1423 Y1426 | E1382-Y1386 HydrophobicContact CG-CD2 4.47Å; E1382-Y1386 HydrophobicContact CG-CE2 3.96Å; E1382-Y1386 VanDerWaalsContact O-CD2 3.24Å; E1382-Y1386 WeakPolarHBondContact O-CD2 3.07Å; E1382-Y1386 PolarHBondContact O-N 3.01Å; Q1383-Y1386 PolarHBondContact O-N 2.82Å; L1384-Y1386 PolarHBondContact O-N 3.17Å; Y1386-N1423 HydrophobicContact CE1-CB 4.15Å; Y1386-Y1426 VanDerWaalsContact C-OH 3.25Å; Y1386-Y1426 HydrophobicContact CD1-CD1 4.2Å; Y1386-Y1426 HydrophobicContact CD1-CE1 4.36Å |
| 1387 | S | 91.6 | Very high | 90.6 | Very high | 16 Ų | 16 | 32.8 Ų | 32.8 | 11% | 0.112 | 15% | 0.147 | C | C | . | . | trans | -101 | 117.5 | 166.6 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | L1384 L1385 Q1389 F1390 V1391 Y1426 Q1895 L1897 | L1384-S1387 PolarHBondContact O-N 2.79Å; L1385-S1387 VanDerWaalsContact C-N 3.28Å; L1385-S1387 PolarHBondContact O-N 2.66Å; S1387-Q1389 PolarHBondContact O-N 2.74Å; S1387-Q1389 VanDerWaalsContact O-N 3.16Å; S1387-F1390 PolarHBondContact O-N 3.25Å; S1387-V1391 PolarHBondContact O-N 2.97Å; S1387-Y1426 PolarHBondContact N-OH 3.33Å; S1387-Y1426 PolarHBondContact O-OH 2.98Å; S1387-Q1895 PolarHBondContact OG-OE1 2.72Å; S1387-L1897 VanDerWaalsContact OG-CD1 3.3Å; S1387-L1897 WeakPolarHBondContact OG-CD1 3.07Å | ||
| 1388 | R | 89.8 | Confident | 91 | Very high | 119 Ų | 119 | 32.7 Ų | 32.7 | 45% | 0.449 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -53.4 | -43.3 | -178.2 | -168.9 | -176.7 | 90.8 | 146.7 | 1.2 | 110.8 | V1391 L1392 Y1426 V1430 | R1388-V1391 PolarHBondContact O-N 3.24Å; R1388-L1392 HydrophobicContact CG-CD1 4.34Å; R1388-L1392 VanDerWaalsContact O-CG 3.25Å; R1388-L1392 WeakPolarHBondContact O-CG 3.45Å; R1388-L1392 PolarHBondContact O-N 3.15Å; R1388-Y1426 VanDerWaalsContact CA-OH 3.25Å; R1388-Y1426 WeakPolarHBondContact CA-OH 3.44Å; R1388-Y1426 HydrophobicContact CB-CE2 4.12Å; R1388-Y1426 PolarHBondContact N-OH 2.85Å; R1388-V1430 HydrophobicContact CG-CG2 4.29Å |
| 1389 | Q | 91 | Very high | 91.3 | Very high | 19 Ų | 19 | 34.2 Ų | 34.2 | 9% | 0.089 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69 | -38.5 | -177 | -166.3 | 59.8 | 46 | 0 | 0 | 112.1 | S1387 L1392 C1393 D1889 A1892 L1897 | S1387-Q1389 PolarHBondContact O-N 2.74Å; S1387-Q1389 VanDerWaalsContact O-N 3.16Å; Q1389-L1392 PolarHBondContact O-N 2.81Å; Q1389-C1393 PolarHBondContact O-N 3.25Å; Q1389-C1393 PolarHBondContact O-SG 2.79Å; Q1389-C1393 VanDerWaalsContact O-SG 3.4Å; Q1389-D1889 VanDerWaalsContact CD-CG 3.48Å; Q1389-D1889 VanDerWaalsContact CG-OD1 3.24Å; Q1389-D1889 WeakPolarHBondContact CG-OD1 3Å; Q1389-D1889 PolarHBondContact NE2-OD1 2.8Å; Q1389-D1889 VanDerWaalsContact NE2-OD1 3.14Å; Q1389-D1889 PolarHBondContact NE2-OD2 2.95Å; Q1389-A1892 HydrophobicContact CG-CB 3.91Å; Q1389-L1897 HydrophobicContact CB-CD1 4.19Å |
| 1390 | F | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.2 | -47.2 | 174.5 | -177.3 | -100.1 | 0 | 0 | 0 | 111.2 | F1381 L1384 L1385 S1387 L1392 C1393 F1394 V1882 V1886 L1897 F1901 | F1381-F1390 HydrophobicContact CD2-CE1 4.46Å; F1381-F1390 HydrophobicContact CD2-CZ 4.46Å; F1381-F1390 AromaticContact CE2-CE1 3.85Å; F1381-F1390 HydrophobicContact CE2-CE1 3.85Å; F1381-F1390 AromaticContact CE2-CZ 3.93Å; F1381-F1390 HydrophobicContact CE2-CZ 3.93Å; F1381-F1390 HydrophobicContact CZ-CE1 4.47Å; L1384-F1390 HydrophobicContact CB-CD1 3.65Å; L1384-F1390 HydrophobicContact CB-CD2 4.34Å; L1384-F1390 HydrophobicContact CB-CE1 3.7Å; L1384-F1390 HydrophobicContact CB-CE2 4.39Å; L1384-F1390 HydrophobicContact CB-CG 3.98Å; L1384-F1390 HydrophobicContact CB-CZ 4.09Å; L1384-F1390 HydrophobicContact CD1-CE2 4.3Å; L1384-F1390 HydrophobicContact CD1-CZ 4.21Å; L1384-F1390 HydrophobicContact CD2-CD2 4.37Å; L1384-F1390 WeakPolarHBondContact O-CB 3.44Å; L1384-F1390 VanDerWaalsContact O-CD1 3.31Å; L1384-F1390 WeakPolarHBondContact O-CD1 3.35Å; L1385-F1390 HydrophobicContact CD2-CE1 4.33Å; S1387-F1390 PolarHBondContact O-N 3.25Å; F1390-L1392 VanDerWaalsContact C-N 3.32Å; F1390-L1392 PolarHBondContact O-N 2.84Å; F1390-C1393 PolarHBondContact O-N 3.17Å; F1390-F1394 HydrophobicContact CE1-CB 4.38Å; F1390-F1394 VanDerWaalsContact O-CB 3.26Å; F1390-F1394 WeakPolarHBondContact O-CB 3.47Å; F1390-F1394 PolarHBondContact O-N 2.82Å; F1390-V1882 HydrophobicContact CE2-CG1 4.19Å; F1390-V1882 HydrophobicContact CZ-CG1 4.24Å; F1390-V1886 HydrophobicContact CD2-CG2 3.89Å; F1390-V1886 HydrophobicContact CE2-CG2 3.99Å; F1390-L1897 HydrophobicContact CB-CD1 4.05Å; F1390-F1901 HydrophobicContact CE2-CB 4Å; F1390-F1901 AromaticContact CE2-CD2 3.67Å; F1390-F1901 HydrophobicContact CE2-CD2 3.67Å; F1390-F1901 HydrophobicContact CE2-CE2 4.39Å; F1390-F1901 AromaticContact CE2-CG 3.91Å; F1390-F1901 HydrophobicContact CE2-CG 3.91Å; F1390-F1901 AromaticContact CZ-CD2 3.51Å; F1390-F1901 HydrophobicContact CZ-CD2 3.51Å; F1390-F1901 AromaticContact CZ-CE2 3.94Å; F1390-F1901 HydrophobicContact CZ-CE2 3.94Å; F1390-F1901 HydrophobicContact CZ-CG 4.23Å |
| 1391 | V | 91.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.5 | -41 | 179.5 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | L1385 S1387 R1388 F1394 I1395 V1430 | L1385-V1391 HydrophobicContact CD2-CG2 4.45Å; L1385-V1391 WeakPolarHBondContact O-CG2 3.31Å; S1387-V1391 PolarHBondContact O-N 2.97Å; R1388-V1391 PolarHBondContact O-N 3.24Å; V1391-F1394 PolarHBondContact O-N 3.28Å; V1391-I1395 HydrophobicContact CG1-CD1 3.83Å; V1391-I1395 HydrophobicContact CG1-CG1 4.39Å; V1391-I1395 WeakPolarHBondContact O-CG1 3.42Å; V1391-I1395 PolarHBondContact O-N 3.1Å; V1391-V1430 HydrophobicContact CG1-CG1 3.87Å |
| 1392 | L | 90.7 | Very high | 91.3 | Very high | 5 Ų | 5 | 38.7 Ų | 38.7 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.4 | -44.9 | 175 | -70.4 | 177 | 0 | 0 | 0 | 112.2 | R1388 Q1389 F1390 K1396 L1434 | R1388-L1392 HydrophobicContact CG-CD1 4.34Å; R1388-L1392 VanDerWaalsContact O-CG 3.25Å; R1388-L1392 WeakPolarHBondContact O-CG 3.45Å; R1388-L1392 PolarHBondContact O-N 3.15Å; Q1389-L1392 PolarHBondContact O-N 2.81Å; F1390-L1392 VanDerWaalsContact C-N 3.32Å; F1390-L1392 PolarHBondContact O-N 2.84Å; L1392-K1396 VanDerWaalsContact O-CB 3.31Å; L1392-K1396 WeakPolarHBondContact O-CB 3.41Å; L1392-K1396 PolarHBondContact O-N 3.39Å; L1392-K1396 VanDerWaalsContact O-N 3.16Å; L1392-L1434 HydrophobicContact CD2-CD2 3.34Å; L1392-L1434 HydrophobicContact CD2-CG 3.66Å |
| 1393 | C | 92.1 | Very high | 91 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 3% | 0.027 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.1 | -39.8 | 176.1 | -70.5 | 0 | 0 | 0 | 0 | 111.8 | Q1389 F1390 K1396 A1397 E1885 V1886 D1889 | Q1389-C1393 PolarHBondContact O-N 3.25Å; Q1389-C1393 PolarHBondContact O-SG 2.79Å; Q1389-C1393 VanDerWaalsContact O-SG 3.4Å; F1390-C1393 PolarHBondContact O-N 3.17Å; C1393-K1396 PolarHBondContact O-N 2.81Å; C1393-A1397 WeakPolarHBondContact O-CB 3.26Å; C1393-A1397 PolarHBondContact O-N 3.23Å; C1393-E1885 HydrophobicContact CB-CB 4.46Å; C1393-V1886 HydrophobicContact CB-CG2 3.83Å; C1393-D1889 VanDerWaalsContact SG-CB 3.56Å |
| 1394 | F | 94 | Very high | 90.9 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.1 | -51.8 | 179.5 | -178.8 | -120.3 | 0 | 0 | 0 | 111.6 | F1381 F1390 V1391 K1396 A1397 L1398 L1416 L1871 A1875 V1882 | F1381-F1394 HydrophobicContact CZ-CZ 4.31Å; F1390-F1394 HydrophobicContact CE1-CB 4.38Å; F1390-F1394 VanDerWaalsContact O-CB 3.26Å; F1390-F1394 WeakPolarHBondContact O-CB 3.47Å; F1390-F1394 PolarHBondContact O-N 2.82Å; V1391-F1394 PolarHBondContact O-N 3.28Å; F1394-K1396 VanDerWaalsContact C-N 3.31Å; F1394-K1396 PolarHBondContact O-N 2.04Å; F1394-A1397 PolarHBondContact O-N 2.85Å; F1394-L1398 HydrophobicContact CD1-CD1 4.29Å; F1394-L1398 HydrophobicContact CE1-CD1 3.8Å; F1394-L1398 HydrophobicContact CE2-CD1 4.04Å; F1394-L1398 HydrophobicContact CE2-CD2 4.4Å; F1394-L1398 HydrophobicContact CE2-CG 4.26Å; F1394-L1398 HydrophobicContact CZ-CD1 3.67Å; F1394-L1398 HydrophobicContact CZ-CG 4.38Å; F1394-L1398 WeakPolarHBondContact O-CG 3.41Å; F1394-L1398 PolarHBondContact O-N 3.34Å; F1394-L1398 VanDerWaalsContact O-N 3.08Å; F1394-L1416 HydrophobicContact CD1-CD2 4.39Å; F1394-L1416 HydrophobicContact CE1-CD2 4.4Å; F1394-L1871 HydrophobicContact CE1-CD2 4.26Å; F1394-A1875 HydrophobicContact CE2-CB 3.77Å; F1394-A1875 HydrophobicContact CZ-CB 4.2Å; F1394-V1882 HydrophobicContact CD2-CB 4.47Å; F1394-V1882 HydrophobicContact CD2-CG1 3.98Å; F1394-V1882 HydrophobicContact CD2-CG2 3.57Å; F1394-V1882 HydrophobicContact CE2-CG2 3.88Å |
| 1395 | I | 93.2 | Very high | 90.6 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.4 | -42.5 | 177.2 | -65.8 | 168.3 | 0 | 0 | 0 | 110.6 | V1391 A1397 L1398 E1399 L1416 L1434 V1458 M1462 | V1391-I1395 HydrophobicContact CG1-CD1 3.83Å; V1391-I1395 HydrophobicContact CG1-CG1 4.39Å; V1391-I1395 WeakPolarHBondContact O-CG1 3.42Å; V1391-I1395 PolarHBondContact O-N 3.1Å; I1395-A1397 PolarHBondContact O-N 2.89Å; I1395-L1398 PolarHBondContact O-N 3.3Å; I1395-E1399 HydrophobicContact CG2-CG 4.06Å; I1395-E1399 WeakPolarHBondContact O-CB 3.49Å; I1395-E1399 WeakPolarHBondContact O-CG 3.28Å; I1395-E1399 PolarHBondContact O-N 2.82Å; I1395-L1416 HydrophobicContact CD1-CD1 3.75Å; I1395-L1416 HydrophobicContact CG1-CD1 3.62Å; I1395-L1434 HydrophobicContact CD1-CD1 3.45Å; I1395-L1434 VanDerWaalsContact CD1-CD1 3.45Å; I1395-L1434 HydrophobicContact CD1-CD2 4.16Å; I1395-L1434 HydrophobicContact CD1-CG 4.45Å; I1395-V1458 HydrophobicContact CD1-CG1 4.39Å; I1395-V1458 HydrophobicContact CG1-CG1 4.37Å; I1395-V1458 HydrophobicContact CG2-CB 4.01Å; I1395-V1458 HydrophobicContact CG2-CG1 4.24Å; I1395-V1458 HydrophobicContact CG2-CG2 4.36Å; I1395-M1462 HydrophobicContact CD1-SD 4.09Å |
| 1396 | K | 91 | Very high | 90.2 | Very high | 99 Ų | 99 | 41.6 Ų | 41.6 | 43% | 0.43 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.6 | -44.3 | 177.4 | -173.6 | -174.2 | 175.5 | -153.2 | 0 | 111.6 | L1392 C1393 F1394 L1398 T1400 E1885 | L1392-K1396 VanDerWaalsContact O-CB 3.31Å; L1392-K1396 WeakPolarHBondContact O-CB 3.41Å; L1392-K1396 PolarHBondContact O-N 3.39Å; L1392-K1396 VanDerWaalsContact O-N 3.16Å; C1393-K1396 PolarHBondContact O-N 2.81Å; F1394-K1396 VanDerWaalsContact C-N 3.31Å; F1394-K1396 PolarHBondContact O-N 2.04Å; K1396-L1398 VanDerWaalsContact C-N 3.34Å; K1396-L1398 PolarHBondContact O-N 2.75Å; K1396-T1400 WeakPolarHBondContact O-CB 3.06Å; K1396-T1400 PolarHBondContact O-N 2.79Å; K1396-T1400 VanDerWaalsContact O-N 3.08Å; K1396-T1400 PolarHBondContact O-OG1 2.74Å; K1396-E1885 WeakPolarHBondContact CE-OE2 3.33Å; K1396-E1885 IonicContact NZ-OE2 2.87Å; K1396-E1885 PolarHBondContact NZ-OE2 2.94Å |
| 1397 | A | 91.6 | Very high | 90 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.2 | -44.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | C1393 F1394 I1395 Q1401 Q1881 V1882 E1885 | C1393-A1397 WeakPolarHBondContact O-CB 3.26Å; C1393-A1397 PolarHBondContact O-N 3.23Å; F1394-A1397 PolarHBondContact O-N 2.85Å; I1395-A1397 PolarHBondContact O-N 2.89Å; A1397-Q1401 WeakPolarHBondContact O-CG 3.36Å; A1397-Q1401 PolarHBondContact O-NE2 2.81Å; A1397-Q1881 HydrophobicContact CB-CB 4.48Å; A1397-V1882 HydrophobicContact CB-CB 4.43Å; A1397-V1882 HydrophobicContact CB-CG2 3.89Å; A1397-E1885 HydrophobicContact CB-CB 4.19Å; A1397-E1885 HydrophobicContact CB-CG 4.16Å |
| 1398 | L | 92.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.7 | -50.2 | 178.2 | -64.1 | -178.2 | 0 | 0 | 0 | 112.6 | F1394 I1395 K1396 T1400 Q1401 F1404 V1412 Y1878 | F1394-L1398 HydrophobicContact CD1-CD1 4.29Å; F1394-L1398 HydrophobicContact CE1-CD1 3.8Å; F1394-L1398 HydrophobicContact CE2-CD1 4.04Å; F1394-L1398 HydrophobicContact CE2-CD2 4.4Å; F1394-L1398 HydrophobicContact CE2-CG 4.26Å; F1394-L1398 HydrophobicContact CZ-CD1 3.67Å; F1394-L1398 HydrophobicContact CZ-CG 4.38Å; F1394-L1398 WeakPolarHBondContact O-CG 3.41Å; F1394-L1398 PolarHBondContact O-N 3.34Å; F1394-L1398 VanDerWaalsContact O-N 3.08Å; I1395-L1398 PolarHBondContact O-N 3.3Å; K1396-L1398 VanDerWaalsContact C-N 3.34Å; K1396-L1398 PolarHBondContact O-N 2.75Å; L1398-T1400 PolarHBondContact O-N 2.89Å; L1398-Q1401 WeakPolarHBondContact O-CB 3.41Å; L1398-Q1401 PolarHBondContact O-N 3.36Å; L1398-F1404 HydrophobicContact CB-CD1 4.2Å; L1398-F1404 HydrophobicContact CB-CE1 3.99Å; L1398-F1404 HydrophobicContact CB-CZ 4.26Å; L1398-F1404 HydrophobicContact CD1-CZ 4.38Å; L1398-F1404 WeakPolarHBondContact O-CB 3.18Å; L1398-F1404 WeakPolarHBondContact O-CD1 2.93Å; L1398-V1412 HydrophobicContact CD1-CG1 3.97Å; L1398-Y1878 HydrophobicContact CD2-CD2 3.24Å; L1398-Y1878 HydrophobicContact CD2-CE2 3.91Å; L1398-Y1878 HydrophobicContact CD2-CG 3.78Å |
| 1399 | E | 90.2 | Very high | 89.9 | Confident | 60 Ų | 60 | 39.8 Ų | 39.8 | 28% | 0.28 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.1 | -22.1 | -177.6 | -74 | -164.5 | 151.6 | 0 | 0 | 114 | I1395 S1457 V1458 | I1395-E1399 HydrophobicContact CG2-CG 4.06Å; I1395-E1399 WeakPolarHBondContact O-CB 3.49Å; I1395-E1399 WeakPolarHBondContact O-CG 3.28Å; I1395-E1399 PolarHBondContact O-N 2.82Å; E1399-S1457 WeakPolarHBondContact OE1-CA 3.22Å; E1399-S1457 VanDerWaalsContact OE1-CB 3.31Å; E1399-S1457 WeakPolarHBondContact OE1-CB 3.42Å; E1399-V1458 HydrophobicContact CG-CG2 3.83Å; E1399-V1458 WeakPolarHBondContact OE1-CB 3.45Å; E1399-V1458 WeakPolarHBondContact OE1-CG2 3.44Å; E1399-V1458 PolarHBondContact OE1-N 2.87Å |
| 1400 | T | 90.5 | Very high | 89.9 | Confident | 91 Ų | 91 | 41 Ų | 41 | 56% | 0.558 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -14.1 | 175.5 | -50.8 | 0 | 0 | 0 | 0 | 111.6 | K1396 L1398 | K1396-T1400 WeakPolarHBondContact O-CB 3.06Å; K1396-T1400 PolarHBondContact O-N 2.79Å; K1396-T1400 VanDerWaalsContact O-N 3.08Å; K1396-T1400 PolarHBondContact O-OG1 2.74Å; L1398-T1400 PolarHBondContact O-N 2.89Å |
| 1401 | Q | 89.8 | Confident | 89.8 | Confident | 41 Ų | 41 | 42.8 Ų | 42.8 | 19% | 0.192 | 25% | 0.249 | C | C | . | . | trans | -77.4 | 128.3 | 178.4 | -56.6 | -45.2 | -59 | 0 | 0 | 111.4 | A1397 L1398 T1403 F1404 Y1878 | A1397-Q1401 WeakPolarHBondContact O-CG 3.36Å; A1397-Q1401 PolarHBondContact O-NE2 2.81Å; L1398-Q1401 WeakPolarHBondContact O-CB 3.41Å; L1398-Q1401 PolarHBondContact O-N 3.36Å; Q1401-T1403 PolarHBondContact O-N 3.09Å; Q1401-F1404 HydrophobicContact CB-CB 4.17Å; Q1401-F1404 WeakPolarHBondContact O-CB 3.47Å; Q1401-F1404 PolarHBondContact O-N 3.49Å; Q1401-F1404 VanDerWaalsContact O-N 3.15Å; Q1401-Y1878 HydrophobicContact CB-CE1 4.31Å; Q1401-Y1878 HydrophobicContact CG-CD1 3.88Å; Q1401-Y1878 HydrophobicContact CG-CE1 3.85Å | ||
| 1402 | P | 85.5 | Confident | 89.9 | Confident | 128 Ų | 128 | 42.8 Ų | 42.8 | 83% | 0.831 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -23.1 | 178.7 | 25.7 | -32.4 | 0 | 0 | 0 | 112.9 | F1404 | P1402-F1404 VanDerWaalsContact C-N 3.26Å; P1402-F1404 PolarHBondContact O-N 3.17Å |
| 1403 | T | 84.8 | Confident | 90 | Very high | 88 Ų | 88 | 42.5 Ų | 42.5 | 54% | 0.54 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -14.2 | 176.7 | 52.1 | 0 | 0 | 0 | 0 | 113.3 | Q1401 A1405 Y1878 | Q1401-T1403 PolarHBondContact O-N 3.09Å; T1403-A1405 PolarHBondContact O-N 3.48Å; T1403-A1405 VanDerWaalsContact O-N 3.1Å; T1403-Y1878 PolarHBondContact OG1-OH 3.21Å |
| 1404 | F | 88 | Confident | 90.1 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 2% | 0.022 | 25% | 0.247 | C | C | . | . | trans | -86.1 | 82.5 | -173.4 | -164 | -118.9 | 0 | 0 | 0 | 111.6 | L1398 Q1401 P1402 E1408 K1409 V1412 V1458 Y1874 | L1398-F1404 HydrophobicContact CB-CD1 4.2Å; L1398-F1404 HydrophobicContact CB-CE1 3.99Å; L1398-F1404 HydrophobicContact CB-CZ 4.26Å; L1398-F1404 HydrophobicContact CD1-CZ 4.38Å; L1398-F1404 WeakPolarHBondContact O-CB 3.18Å; L1398-F1404 WeakPolarHBondContact O-CD1 2.93Å; Q1401-F1404 HydrophobicContact CB-CB 4.17Å; Q1401-F1404 WeakPolarHBondContact O-CB 3.47Å; Q1401-F1404 PolarHBondContact O-N 3.49Å; Q1401-F1404 VanDerWaalsContact O-N 3.15Å; P1402-F1404 VanDerWaalsContact C-N 3.26Å; P1402-F1404 PolarHBondContact O-N 3.17Å; F1404-E1408 WeakPolarHBondContact CA-OE2 3.48Å; F1404-E1408 HydrophobicContact CD2-CB 3.73Å; F1404-E1408 VanDerWaalsContact CD2-OE2 3.3Å; F1404-E1408 WeakPolarHBondContact CD2-OE2 3.42Å; F1404-E1408 HydrophobicContact CE2-CB 3.62Å; F1404-E1408 HydrophobicContact CZ-CB 4.34Å; F1404-K1409 HydrophobicContact CD1-CD 4.47Å; F1404-K1409 HydrophobicContact CD1-CG 3.46Å; F1404-K1409 VanDerWaalsContact CD1-CG 3.46Å; F1404-K1409 HydrophobicContact CE1-CB 4.14Å; F1404-K1409 HydrophobicContact CE1-CG 3.44Å; F1404-K1409 VanDerWaalsContact CE1-CG 3.44Å; F1404-K1409 HydrophobicContact CG-CG 4.39Å; F1404-K1409 HydrophobicContact CZ-CG 4.34Å; F1404-K1409 VanDerWaalsContact O-CE 3.23Å; F1404-K1409 WeakPolarHBondContact O-CE 3.41Å; F1404-V1412 HydrophobicContact CE2-CB 4.47Å; F1404-V1412 HydrophobicContact CE2-CG2 3.77Å; F1404-V1412 HydrophobicContact CZ-CB 3.73Å; F1404-V1412 HydrophobicContact CZ-CG1 4.18Å; F1404-V1412 HydrophobicContact CZ-CG2 3.51Å; F1404-V1458 HydrophobicContact CE1-CG2 3.82Å; F1404-V1458 HydrophobicContact CZ-CG2 4.46Å; F1404-Y1874 HydrophobicContact CD2-CE1 4.47Å; F1404-Y1874 HydrophobicContact CE2-CD1 4.2Å; F1404-Y1874 AromaticContact CE2-CE1 3.8Å; F1404-Y1874 HydrophobicContact CE2-CE1 3.8Å | ||
| 1405 | A | 86.3 | Confident | 90.1 | Very high | 52 Ų | 52 | 42.4 Ų | 42.4 | 43% | 0.43 | 25% | 0.247 | S | C | . | . | trans | -73.6 | 167.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T1403 P1407 E1408 K1409 | T1403-A1405 PolarHBondContact O-N 3.48Å; T1403-A1405 VanDerWaalsContact O-N 3.1Å; A1405-P1407 VanDerWaalsContact C-CD 3.47Å; A1405-E1408 PolarHBondContact O-N 2.83Å; A1405-K1409 WeakPolarHBondContact O-CG 3.33Å; A1405-K1409 PolarHBondContact O-N 3.31Å | ||
| 1406 | A | 83.9 | Confident | 90.2 | Very high | 48 Ų | 48 | 42.2 Ų | 42.2 | 40% | 0.397 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -53 | -40.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | K1409 V1410 | A1406-K1409 PolarHBondContact O-N 2.89Å; A1406-V1410 VanDerWaalsContact O-CG2 3.26Å; A1406-V1410 WeakPolarHBondContact O-CG2 3.45Å; A1406-V1410 PolarHBondContact O-N 3.19Å |
| 1407 | P | 87.3 | Confident | 90.3 | Very high | 98 Ų | 98 | 37.5 Ų | 37.5 | 64% | 0.636 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -63.4 | -40.3 | 174.7 | -20.9 | 33.2 | 0 | 0 | 0 | 113.1 | A1405 V1410 Y1411 | A1405-P1407 VanDerWaalsContact C-CD 3.47Å; P1407-V1410 PolarHBondContact O-N 2.59Å; P1407-Y1411 WeakPolarHBondContact O-CB 3.32Å; P1407-Y1411 PolarHBondContact O-N 2.89Å |
| 1408 | E | 89.5 | Confident | 90.4 | Very high | 48 Ų | 48 | 37.4 Ų | 37.4 | 22% | 0.224 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.4 | -40.7 | 176.9 | -66.1 | -170.4 | 148.9 | 0 | 0 | 110.7 | F1404 A1405 V1410 Y1411 V1412 R1877 | F1404-E1408 WeakPolarHBondContact CA-OE2 3.48Å; F1404-E1408 HydrophobicContact CD2-CB 3.73Å; F1404-E1408 VanDerWaalsContact CD2-OE2 3.3Å; F1404-E1408 WeakPolarHBondContact CD2-OE2 3.42Å; F1404-E1408 HydrophobicContact CE2-CB 3.62Å; F1404-E1408 HydrophobicContact CZ-CB 4.34Å; A1405-E1408 PolarHBondContact O-N 2.83Å; E1408-V1410 VanDerWaalsContact C-N 3.35Å; E1408-V1410 PolarHBondContact O-N 3.04Å; E1408-Y1411 PolarHBondContact O-N 2.78Å; E1408-V1412 WeakPolarHBondContact O-CB 3.06Å; E1408-V1412 WeakPolarHBondContact O-CG2 3.49Å; E1408-V1412 PolarHBondContact O-N 3.17Å; E1408-R1877 IonicContact OE1-NH1 2.83Å |
| 1409 | K | 91.4 | Very high | 90.3 | Very high | 45 Ų | 45 | 37.6 Ų | 37.6 | 20% | 0.196 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.1 | -43.8 | 173.3 | -69 | 174.9 | 174.4 | 180 | 0 | 112.5 | F1404 A1405 A1406 G1413 E1456 V1458 | F1404-K1409 HydrophobicContact CD1-CD 4.47Å; F1404-K1409 HydrophobicContact CD1-CG 3.46Å; F1404-K1409 VanDerWaalsContact CD1-CG 3.46Å; F1404-K1409 HydrophobicContact CE1-CB 4.14Å; F1404-K1409 HydrophobicContact CE1-CG 3.44Å; F1404-K1409 VanDerWaalsContact CE1-CG 3.44Å; F1404-K1409 HydrophobicContact CG-CG 4.39Å; F1404-K1409 HydrophobicContact CZ-CG 4.34Å; F1404-K1409 VanDerWaalsContact O-CE 3.23Å; F1404-K1409 WeakPolarHBondContact O-CE 3.41Å; A1405-K1409 WeakPolarHBondContact O-CG 3.33Å; A1405-K1409 PolarHBondContact O-N 3.31Å; A1406-K1409 PolarHBondContact O-N 2.89Å; K1409-G1413 PolarHBondContact O-N 2.99Å; K1409-E1456 WeakPolarHBondContact CD-O 3.32Å; K1409-E1456 PolarHBondContact NZ-O 3.24Å; K1409-V1458 HydrophobicContact CB-CG2 4.05Å; K1409-V1458 HydrophobicContact CG-CG2 4.22Å |
| 1410 | V | 90.2 | Very high | 90.5 | Very high | 45 Ų | 45 | 34.7 Ų | 34.7 | 27% | 0.273 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.4 | -45 | 176.4 | 170.6 | 0 | 0 | 0 | 0 | 110.1 | A1406 P1407 E1408 G1413 S1414 T1455 K1461 | A1406-V1410 VanDerWaalsContact O-CG2 3.26Å; A1406-V1410 WeakPolarHBondContact O-CG2 3.45Å; A1406-V1410 PolarHBondContact O-N 3.19Å; P1407-V1410 PolarHBondContact O-N 2.59Å; E1408-V1410 VanDerWaalsContact C-N 3.35Å; E1408-V1410 PolarHBondContact O-N 3.04Å; V1410-G1413 PolarHBondContact O-N 3.18Å; V1410-S1414 PolarHBondContact O-N 2.89Å; V1410-S1414 PolarHBondContact O-OG 2.83Å; V1410-T1455 HydrophobicContact CG2-CG2 3.68Å; V1410-K1461 HydrophobicContact CB-CG 4.35Å; V1410-K1461 HydrophobicContact CG1-CD 3.89Å; V1410-K1461 HydrophobicContact CG1-CG 3.94Å; V1410-K1461 WeakPolarHBondContact O-CG 3.35Å |
| 1411 | Y | 92.4 | Very high | 90.5 | Very high | 36 Ų | 36 | 30.4 Ų | 30.4 | 14% | 0.141 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66 | -46.5 | -179.4 | -172.3 | -124.3 | 0 | 0 | 0 | 112.3 | F1349 Q1353 V1356 P1407 E1408 G1413 S1414 L1415 | F1349-Y1411 HydrophobicContact CD1-CD2 4.23Å; F1349-Y1411 AromaticContact CD1-CE2 3.81Å; F1349-Y1411 HydrophobicContact CD1-CE2 3.81Å; F1349-Y1411 HydrophobicContact CE1-CD2 4.32Å; F1349-Y1411 AromaticContact CE1-CE2 3.88Å; F1349-Y1411 HydrophobicContact CE1-CE2 3.88Å; Q1353-Y1411 HydrophobicContact CB-CE2 4.06Å; Q1353-Y1411 HydrophobicContact CG-CD2 4.44Å; Q1353-Y1411 HydrophobicContact CG-CE2 4.04Å; V1356-Y1411 VanDerWaalsContact CG2-OH 3.24Å; V1356-Y1411 WeakPolarHBondContact CG2-OH 3.43Å; P1407-Y1411 WeakPolarHBondContact O-CB 3.32Å; P1407-Y1411 PolarHBondContact O-N 2.89Å; E1408-Y1411 PolarHBondContact O-N 2.78Å; Y1411-G1413 VanDerWaalsContact C-N 3.32Å; Y1411-G1413 PolarHBondContact O-N 2.85Å; Y1411-S1414 CarbonylContact O-C 3.6Å; Y1411-S1414 WeakPolarHBondContact O-CA 3.43Å; Y1411-S1414 WeakPolarHBondContact O-CB 3.47Å; Y1411-S1414 PolarHBondContact O-N 2.84Å; Y1411-S1414 VanDerWaalsContact O-N 3.12Å; Y1411-L1415 HydrophobicContact CD1-CD1 3.86Å; Y1411-L1415 HydrophobicContact CD1-CG 4.45Å; Y1411-L1415 HydrophobicContact CE1-CD1 3.67Å; Y1411-L1415 HydrophobicContact CE1-CG 4.29Å; Y1411-L1415 HydrophobicContact CE2-CD2 4.5Å; Y1411-L1415 HydrophobicContact CE2-CG 4.46Å; Y1411-L1415 HydrophobicContact CG-CD1 4.47Å; Y1411-L1415 WeakPolarHBondContact O-CG 3.45Å; Y1411-L1415 PolarHBondContact O-N 2.86Å |
| 1412 | V | 93.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.2 | -36.3 | 175.2 | 170 | 0 | 0 | 0 | 0 | 111.8 | L1398 F1404 E1408 S1414 L1415 L1416 V1458 L1871 Y1874 | L1398-V1412 HydrophobicContact CD1-CG1 3.97Å; F1404-V1412 HydrophobicContact CE2-CB 4.47Å; F1404-V1412 HydrophobicContact CE2-CG2 3.77Å; F1404-V1412 HydrophobicContact CZ-CB 3.73Å; F1404-V1412 HydrophobicContact CZ-CG1 4.18Å; F1404-V1412 HydrophobicContact CZ-CG2 3.51Å; E1408-V1412 WeakPolarHBondContact O-CB 3.06Å; E1408-V1412 WeakPolarHBondContact O-CG2 3.49Å; E1408-V1412 PolarHBondContact O-N 3.17Å; V1412-S1414 VanDerWaalsContact C-N 3.31Å; V1412-S1414 PolarHBondContact O-N 2.86Å; V1412-L1415 PolarHBondContact O-N 2.96Å; V1412-L1416 HydrophobicContact CG1-CD1 3.85Å; V1412-L1416 HydrophobicContact CG1-CG 4.25Å; V1412-L1416 WeakPolarHBondContact O-CB 3.34Å; V1412-L1416 WeakPolarHBondContact O-CG 3.25Å; V1412-L1416 PolarHBondContact O-N 2.89Å; V1412-V1458 HydrophobicContact CG1-CG1 4.4Å; V1412-L1871 HydrophobicContact CG1-CD2 4.16Å; V1412-Y1874 HydrophobicContact CG2-CD1 4.1Å; V1412-Y1874 HydrophobicContact CG2-CD2 3.98Å; V1412-Y1874 HydrophobicContact CG2-CE1 3.93Å; V1412-Y1874 HydrophobicContact CG2-CE2 3.8Å; V1412-Y1874 HydrophobicContact CG2-CG 4.14Å |
| 1413 | G | 92.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.4 | -40.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1409 V1410 Y1411 T1417 M1462 | K1409-G1413 PolarHBondContact O-N 2.99Å; V1410-G1413 PolarHBondContact O-N 3.18Å; Y1411-G1413 VanDerWaalsContact C-N 3.32Å; Y1411-G1413 PolarHBondContact O-N 2.85Å; G1413-T1417 WeakPolarHBondContact O-CB 3.23Å; G1413-T1417 PolarHBondContact O-N 2.78Å; G1413-T1417 PolarHBondContact O-OG1 2.99Å; G1413-M1462 WeakPolarHBondContact O-CG 3.32Å |
| 1414 | S | 94.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.7 | -41.6 | 172.4 | -70.8 | 0 | 0 | 0 | 0 | 113.3 | L1348 V1410 Y1411 V1412 T1417 A1418 K1461 N1465 | L1348-S1414 WeakPolarHBondContact O-CB 3.48Å; L1348-S1414 PolarHBondContact O-OG 2.92Å; V1410-S1414 PolarHBondContact O-N 2.89Å; V1410-S1414 PolarHBondContact O-OG 2.83Å; Y1411-S1414 CarbonylContact O-C 3.6Å; Y1411-S1414 WeakPolarHBondContact O-CA 3.43Å; Y1411-S1414 WeakPolarHBondContact O-CB 3.47Å; Y1411-S1414 PolarHBondContact O-N 2.84Å; Y1411-S1414 VanDerWaalsContact O-N 3.12Å; V1412-S1414 VanDerWaalsContact C-N 3.31Å; V1412-S1414 PolarHBondContact O-N 2.86Å; S1414-T1417 PolarHBondContact O-N 2.84Å; S1414-A1418 WeakPolarHBondContact O-CB 3.41Å; S1414-A1418 PolarHBondContact O-N 2.97Å; S1414-K1461 WeakPolarHBondContact OG-CE 3.18Å; S1414-N1465 WeakPolarHBondContact CA-ND2 3.34Å; S1414-N1465 PolarHBondContact OG-ND2 3.25Å |
| 1415 | L | 94 | Very high | 91.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.7 | -44.8 | 176.6 | -70.6 | 173.2 | 0 | 0 | 0 | 111.9 | F1349 V1356 Y1411 V1412 T1417 A1418 A1419 A1867 E1870 L1871 Y1874 | F1349-L1415 HydrophobicContact CE1-CD2 3.85Å; F1349-L1415 HydrophobicContact CE1-CG 4.3Å; F1349-L1415 HydrophobicContact CZ-CD2 4.06Å; V1356-L1415 HydrophobicContact CG1-CD2 4.04Å; Y1411-L1415 HydrophobicContact CD1-CD1 3.86Å; Y1411-L1415 HydrophobicContact CD1-CG 4.45Å; Y1411-L1415 HydrophobicContact CE1-CD1 3.67Å; Y1411-L1415 HydrophobicContact CE1-CG 4.29Å; Y1411-L1415 HydrophobicContact CE2-CD2 4.5Å; Y1411-L1415 HydrophobicContact CE2-CG 4.46Å; Y1411-L1415 HydrophobicContact CG-CD1 4.47Å; Y1411-L1415 WeakPolarHBondContact O-CG 3.45Å; Y1411-L1415 PolarHBondContact O-N 2.86Å; V1412-L1415 PolarHBondContact O-N 2.96Å; L1415-T1417 VanDerWaalsContact C-N 3.32Å; L1415-T1417 PolarHBondContact O-N 3.45Å; L1415-A1418 PolarHBondContact O-N 2.82Å; L1415-A1419 WeakPolarHBondContact O-CB 3.23Å; L1415-A1419 PolarHBondContact O-N 3.22Å; L1415-A1867 HydrophobicContact CD2-CB 4.16Å; L1415-E1870 HydrophobicContact CD1-CB 3.76Å; L1415-E1870 HydrophobicContact CD2-CB 3.88Å; L1415-E1870 HydrophobicContact CD2-CG 4.34Å; L1415-E1870 HydrophobicContact CG-CB 4.49Å; L1415-L1871 HydrophobicContact CB-CD1 4.31Å; L1415-L1871 HydrophobicContact CB-CD2 3.71Å; L1415-L1871 HydrophobicContact CB-CG 3.84Å; L1415-L1871 HydrophobicContact CD1-CD2 4.36Å; L1415-Y1874 HydrophobicContact CD1-CD2 4.5Å; L1415-Y1874 HydrophobicContact CD1-CE2 4.24Å |
| 1416 | L | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.8 | -40 | 175.3 | -76.7 | 167.1 | 0 | 0 | 0 | 111.5 | L1385 F1394 I1395 V1412 A1419 L1420 V1458 M1462 L1871 | L1385-L1416 HydrophobicContact CD2-CD2 4.39Å; F1394-L1416 HydrophobicContact CD1-CD2 4.39Å; F1394-L1416 HydrophobicContact CE1-CD2 4.4Å; I1395-L1416 HydrophobicContact CD1-CD1 3.75Å; I1395-L1416 HydrophobicContact CG1-CD1 3.62Å; V1412-L1416 HydrophobicContact CG1-CD1 3.85Å; V1412-L1416 HydrophobicContact CG1-CG 4.25Å; V1412-L1416 WeakPolarHBondContact O-CB 3.34Å; V1412-L1416 WeakPolarHBondContact O-CG 3.25Å; V1412-L1416 PolarHBondContact O-N 2.89Å; L1416-A1419 PolarHBondContact O-N 2.68Å; L1416-L1420 WeakPolarHBondContact O-CB 3.27Å; L1416-L1420 VanDerWaalsContact O-CG 3.26Å; L1416-L1420 WeakPolarHBondContact O-CG 3.4Å; L1416-L1420 PolarHBondContact O-N 2.7Å; L1416-L1420 VanDerWaalsContact O-N 3.13Å; L1416-V1458 HydrophobicContact CD1-CG1 3.82Å; L1416-M1462 HydrophobicContact CB-CE 4.01Å; L1416-M1462 HydrophobicContact CB-SD 4.07Å; L1416-M1462 HydrophobicContact CD1-SD 4.07Å; L1416-L1871 HydrophobicContact CD2-CD1 3.9Å; L1416-L1871 HydrophobicContact CD2-CD2 4.01Å; L1416-L1871 HydrophobicContact CG-CD1 4.29Å; L1416-L1871 HydrophobicContact CG-CD2 3.85Å |
| 1417 | T | 94.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.8 | -47.6 | 173.8 | -48.8 | 0 | 0 | 0 | 0 | 110.4 | L1348 G1413 S1414 L1415 A1419 L1420 M1421 L1427 N1465 L1469 | L1348-T1417 HydrophobicContact CD2-CG2 3.87Å; G1413-T1417 WeakPolarHBondContact O-CB 3.23Å; G1413-T1417 PolarHBondContact O-N 2.78Å; G1413-T1417 PolarHBondContact O-OG1 2.99Å; S1414-T1417 PolarHBondContact O-N 2.84Å; L1415-T1417 VanDerWaalsContact C-N 3.32Å; L1415-T1417 PolarHBondContact O-N 3.45Å; T1417-A1419 VanDerWaalsContact C-N 3.31Å; T1417-A1419 PolarHBondContact O-N 2.8Å; T1417-L1420 PolarHBondContact O-N 2.78Å; T1417-M1421 VanDerWaalsContact O-CB 3.31Å; T1417-M1421 WeakPolarHBondContact O-CB 3.37Å; T1417-M1421 PolarHBondContact O-N 3.36Å; T1417-L1427 HydrophobicContact CG2-CD2 3.87Å; T1417-N1465 HydrophobicContact CG2-CB 3.83Å; T1417-N1465 PolarHBondContact OG1-ND2 3.13Å; T1417-L1469 HydrophobicContact CG2-CD1 3.6Å |
| 1418 | A | 91.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64 | -32.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1348 F1349 S1414 L1415 W1862 A1867 | L1348-A1418 HydrophobicContact CD1-CB 4.21Å; F1349-A1418 HydrophobicContact CE2-CB 4Å; F1349-A1418 HydrophobicContact CZ-CB 3.85Å; S1414-A1418 WeakPolarHBondContact O-CB 3.41Å; S1414-A1418 PolarHBondContact O-N 2.97Å; L1415-A1418 PolarHBondContact O-N 2.82Å; A1418-W1862 HydrophobicContact CB-CZ2 4.16Å; A1418-W1862 PolarHBondContact O-NE1 2.6Å; A1418-A1867 HydrophobicContact CB-CB 3.77Å |
| 1419 | A | 92.2 | Very high | 92.6 | Very high | 3 Ų | 3 | 20.2 Ų | 20.2 | 3% | 0.025 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -75.7 | -27.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | L1385 L1415 L1416 T1417 T1864 A1867 V1868 L1871 | L1385-A1419 HydrophobicContact CD1-CB 4.32Å; L1415-A1419 WeakPolarHBondContact O-CB 3.23Å; L1415-A1419 PolarHBondContact O-N 3.22Å; L1416-A1419 PolarHBondContact O-N 2.68Å; T1417-A1419 VanDerWaalsContact C-N 3.31Å; T1417-A1419 PolarHBondContact O-N 2.8Å; A1419-T1864 WeakPolarHBondContact O-CG2 3.35Å; A1419-A1867 HydrophobicContact CB-CB 4.29Å; A1419-V1868 HydrophobicContact CB-CG2 4.02Å; A1419-L1871 HydrophobicContact CB-CD1 3.62Å |
| 1420 | L | 92.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -106.9 | -10.1 | -173.8 | -62 | 179.3 | 0 | 0 | 0 | 114.1 | L1385 L1416 T1417 N1422 N1423 Y1426 L1427 | L1385-L1420 HydrophobicContact CB-CD2 4.32Å; L1416-L1420 WeakPolarHBondContact O-CB 3.27Å; L1416-L1420 VanDerWaalsContact O-CG 3.26Å; L1416-L1420 WeakPolarHBondContact O-CG 3.4Å; L1416-L1420 PolarHBondContact O-N 2.7Å; L1416-L1420 VanDerWaalsContact O-N 3.13Å; T1417-L1420 PolarHBondContact O-N 2.78Å; L1420-N1422 PolarHBondContact O-N 2.68Å; L1420-N1422 VanDerWaalsContact O-N 3.13Å; L1420-N1423 CarbonylContact O-C 3.59Å; L1420-N1423 VanDerWaalsContact O-C 3.27Å; L1420-N1423 PolarHBondContact O-N 3.21Å; L1420-N1423 VanDerWaalsContact O-O 3.14Å; L1420-Y1426 HydrophobicContact CD1-CE1 4.26Å; L1420-Y1426 HydrophobicContact CD2-CD1 4.08Å; L1420-Y1426 HydrophobicContact CD2-CE1 3.81Å; L1420-L1427 HydrophobicContact CB-CB 4.12Å; L1420-L1427 HydrophobicContact CB-CD1 4.07Å; L1420-L1427 HydrophobicContact CD1-CD1 4.3Å |
| 1421 | M | 91 | Very high | 92.8 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.076 | C | C | . | . | G | 310 helix | trans | -64.3 | -18.6 | -175.4 | 66.8 | -170.4 | -47.8 | 0 | 0 | 114.4 | A1344 L1348 T1417 N1423 M1424 L1469 Y1858 W1862 | A1344-M1421 HydrophobicContact CB-CE 4.15Å; L1348-M1421 HydrophobicContact CD1-CE 4.31Å; L1348-M1421 HydrophobicContact CD1-SD 4.07Å; T1417-M1421 VanDerWaalsContact O-CB 3.31Å; T1417-M1421 WeakPolarHBondContact O-CB 3.37Å; T1417-M1421 PolarHBondContact O-N 3.36Å; M1421-N1423 PolarHBondContact O-N 3.46Å; M1421-M1424 HydrophobicContact CB-SD 4.1Å; M1421-M1424 WeakPolarHBondContact O-CG 3.33Å; M1421-L1469 HydrophobicContact CB-CD1 4.4Å; M1421-L1469 HydrophobicContact CE-CD1 3.92Å; M1421-L1469 HydrophobicContact CE-CD2 3.62Å; M1421-L1469 HydrophobicContact CE-CG 4.44Å; M1421-Y1858 HydrophobicContact CB-CD2 4.45Å; M1421-Y1858 HydrophobicContact CB-CG 4.49Å; M1421-Y1858 HydrophobicContact CE-CD1 3.41Å; M1421-Y1858 VanDerWaalsContact CE-CD1 3.41Å; M1421-Y1858 HydrophobicContact CE-CD2 4.09Å; M1421-Y1858 HydrophobicContact CE-CE1 3.48Å; M1421-Y1858 VanDerWaalsContact CE-CE1 3.48Å; M1421-Y1858 HydrophobicContact CE-CE2 4.18Å; M1421-Y1858 HydrophobicContact CE-CG 3.74Å; M1421-Y1858 HydrophobicContact CG-CG 4.43Å; M1421-Y1858 WeakPolarHBondContact O-CB 3.37Å; M1421-W1862 HydrophobicContact CE-CD2 4.44Å; M1421-W1862 HydrophobicContact CG-CG 4.28Å; M1421-W1862 HydrophobicContact SD-CB 4.43Å; M1421-W1862 HydrophobicContact SD-CD2 3.56Å; M1421-W1862 VanDerWaalsContact SD-CD2 3.56Å; M1421-W1862 VanDerWaalsContact SD-CE2 3.52Å; M1421-W1862 HydrophobicContact SD-CE3 4.21Å; M1421-W1862 HydrophobicContact SD-CG 3.63Å; M1421-W1862 HydrophobicContact SD-CZ2 4.14Å |
| 1422 | N | 89.9 | Confident | 92.9 | Very high | 23 Ų | 23 | 14.4 Ų | 14.4 | 12% | 0.123 | 7% | 0.07 | C | C | . | . | G | 310 helix | trans | -66.4 | -20.9 | 172.5 | -65.6 | 18.3 | 0 | 0 | 0 | 111.5 | L1420 S1855 T1859 W1862 T1864 | L1420-N1422 PolarHBondContact O-N 2.68Å; L1420-N1422 VanDerWaalsContact O-N 3.13Å; N1422-S1855 CarbonylContact O-C 3.57Å; N1422-S1855 WeakPolarHBondContact O-CB 3.39Å; N1422-T1859 PolarHBondContact O-OG1 3.24Å; N1422-W1862 PolarHBondContact ND2-O 3.45Å; N1422-T1864 HydrophobicContact CB-CG2 4.23Å; N1422-T1864 WeakPolarHBondContact ND2-CG2 3.48Å; N1422-T1864 WeakPolarHBondContact OD1-CG2 3.23Å |
| 1423 | N | 91.6 | Very high | 92.7 | Very high | 53 Ų | 53 | 15.1 Ų | 15.1 | 28% | 0.283 | 8% | 0.076 | S | C | . | . | G | 310 helix | trans | -125.8 | 78.7 | 170.3 | -170 | -18.7 | 0 | 0 | 0 | 110 | Y1386 L1420 M1421 Q1425 Y1426 L1427 | Y1386-N1423 HydrophobicContact CE1-CB 4.15Å; L1420-N1423 CarbonylContact O-C 3.59Å; L1420-N1423 VanDerWaalsContact O-C 3.27Å; L1420-N1423 PolarHBondContact O-N 3.21Å; L1420-N1423 VanDerWaalsContact O-O 3.14Å; M1421-N1423 PolarHBondContact O-N 3.46Å; N1423-Q1425 PolarHBondContact O-N 3.18Å; N1423-Q1425 PolarHBondContact OD1-N 3.03Å; N1423-Y1426 PolarHBondContact O-N 3.11Å; N1423-Y1426 PolarHBondContact OD1-N 3.3Å; N1423-Y1426 VanDerWaalsContact OD1-N 3.09Å; N1423-L1427 PolarHBondContact O-N 3.03Å |
| 1424 | M | 93 | Very high | 92.7 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.7 | -27.9 | -179.6 | -70.7 | -65.5 | -64.4 | 0 | 0 | 113 | M1421 L1427 T1428 L1469 M1851 L1854 S1855 Y1858 | M1421-M1424 HydrophobicContact CB-SD 4.1Å; M1421-M1424 WeakPolarHBondContact O-CG 3.33Å; M1424-L1427 HydrophobicContact CE-CD2 4.25Å; M1424-L1427 HydrophobicContact SD-CD2 3.76Å; M1424-T1428 VanDerWaalsContact O-CB 3.29Å; M1424-T1428 WeakPolarHBondContact O-CB 3.42Å; M1424-T1428 PolarHBondContact O-N 3.47Å; M1424-T1428 PolarHBondContact O-OG1 3.21Å; M1424-L1469 HydrophobicContact CE-CB 4.15Å; M1424-L1469 HydrophobicContact CE-CD1 4.44Å; M1424-L1469 HydrophobicContact SD-CD1 4.31Å; M1424-M1851 HydrophobicContact CB-CB 4.03Å; M1424-M1851 HydrophobicContact CB-CG 4.5Å; M1424-M1851 HydrophobicContact CB-SD 4.18Å; M1424-M1851 HydrophobicContact CE-SD 4.28Å; M1424-L1854 HydrophobicContact CB-CB 4.26Å; M1424-L1854 HydrophobicContact CE-CD1 4.41Å; M1424-L1854 HydrophobicContact CG-CB 3.77Å; M1424-S1855 WeakPolarHBondContact CB-OG 3.5Å; M1424-S1855 PolarHBondContact N-OG 3.19Å; M1424-Y1858 HydrophobicContact CG-CD2 3.94Å; M1424-Y1858 HydrophobicContact CG-CE2 4.31Å; M1424-Y1858 HydrophobicContact SD-CD2 4.05Å; M1424-Y1858 HydrophobicContact SD-CE2 4.1Å |
| 1425 | Q | 92.1 | Very high | 92.7 | Very high | 74 Ų | 74 | 15.8 Ų | 15.8 | 35% | 0.346 | 8% | 0.079 | S | C | . | . | H | α-helix | trans | -62.5 | -53.6 | 174.1 | -71.5 | 174.5 | -13.8 | 0 | 0 | 110.1 | N1423 T1428 E1429 S1848 M1851 | N1423-Q1425 PolarHBondContact O-N 3.18Å; N1423-Q1425 PolarHBondContact OD1-N 3.03Å; Q1425-T1428 WeakPolarHBondContact O-CB 3.28Å; Q1425-T1428 PolarHBondContact O-N 3.19Å; Q1425-E1429 PolarHBondContact O-N 3.41Å; Q1425-S1848 PolarHBondContact NE2-O 3.14Å; Q1425-M1851 HydrophobicContact CB-CB 4.43Å; Q1425-M1851 HydrophobicContact CG-CB 3.61Å |
| 1426 | Y | 93.9 | Very high | 92.6 | Very high | 23 Ų | 23 | 20.3 Ų | 20.3 | 9% | 0.09 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.2 | -41 | 177.8 | 177.1 | -106.9 | 0 | 0 | 0 | 112.8 | L1385 Y1386 S1387 R1388 L1420 N1423 T1428 E1429 V1430 | L1385-Y1426 VanDerWaalsContact O-CE1 3.26Å; L1385-Y1426 WeakPolarHBondContact O-CE1 3.37Å; L1385-Y1426 PolarHBondContact O-OH 3.03Å; Y1386-Y1426 VanDerWaalsContact C-OH 3.25Å; Y1386-Y1426 HydrophobicContact CD1-CD1 4.2Å; Y1386-Y1426 HydrophobicContact CD1-CE1 4.36Å; S1387-Y1426 PolarHBondContact N-OH 3.33Å; S1387-Y1426 PolarHBondContact O-OH 2.98Å; R1388-Y1426 VanDerWaalsContact CA-OH 3.25Å; R1388-Y1426 WeakPolarHBondContact CA-OH 3.44Å; R1388-Y1426 HydrophobicContact CB-CE2 4.12Å; R1388-Y1426 PolarHBondContact N-OH 2.85Å; L1420-Y1426 HydrophobicContact CD1-CE1 4.26Å; L1420-Y1426 HydrophobicContact CD2-CD1 4.08Å; L1420-Y1426 HydrophobicContact CD2-CE1 3.81Å; N1423-Y1426 PolarHBondContact O-N 3.11Å; N1423-Y1426 PolarHBondContact OD1-N 3.3Å; N1423-Y1426 VanDerWaalsContact OD1-N 3.09Å; Y1426-T1428 VanDerWaalsContact C-N 3.27Å; Y1426-T1428 PolarHBondContact O-N 2.99Å; Y1426-E1429 PolarHBondContact O-N 3.07Å; Y1426-V1430 HydrophobicContact CD1-CG2 4.35Å; Y1426-V1430 HydrophobicContact CD2-CG2 4.41Å; Y1426-V1430 HydrophobicContact CE1-CG2 3.9Å; Y1426-V1430 HydrophobicContact CE2-CG2 3.98Å; Y1426-V1430 WeakPolarHBondContact O-CG2 3.39Å; Y1426-V1430 PolarHBondContact O-N 3.29Å |
| 1427 | L | 94.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.9 | -42.9 | 172.9 | 173.3 | 63.2 | 0 | 0 | 0 | 111.2 | T1417 L1420 N1423 M1424 V1430 V1431 M1462 | T1417-L1427 HydrophobicContact CG2-CD2 3.87Å; L1420-L1427 HydrophobicContact CB-CB 4.12Å; L1420-L1427 HydrophobicContact CB-CD1 4.07Å; L1420-L1427 HydrophobicContact CD1-CD1 4.3Å; N1423-L1427 PolarHBondContact O-N 3.03Å; M1424-L1427 HydrophobicContact CE-CD2 4.25Å; M1424-L1427 HydrophobicContact SD-CD2 3.76Å; L1427-V1430 PolarHBondContact O-N 3.14Å; L1427-V1431 HydrophobicContact CD1-CG2 3.85Å; L1427-V1431 HydrophobicContact CG-CG2 4.29Å; L1427-V1431 WeakPolarHBondContact O-CB 3.23Å; L1427-V1431 VanDerWaalsContact O-CG2 3.28Å; L1427-V1431 WeakPolarHBondContact O-CG2 2.98Å; L1427-V1431 PolarHBondContact O-N 2.95Å; L1427-M1462 HydrophobicContact CD1-CE 3.8Å |
| 1428 | T | 93.1 | Very high | 92.2 | Very high | 8 Ų | 8 | 27.5 Ų | 27.5 | 5% | 0.049 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.1 | -45.4 | 178.2 | -58.7 | 0 | 0 | 0 | 0 | 110.9 | M1424 Q1425 Y1426 V1430 V1431 M1432 W1466 L1847 M1851 | M1424-T1428 VanDerWaalsContact O-CB 3.29Å; M1424-T1428 WeakPolarHBondContact O-CB 3.42Å; M1424-T1428 PolarHBondContact O-N 3.47Å; M1424-T1428 PolarHBondContact O-OG1 3.21Å; Q1425-T1428 WeakPolarHBondContact O-CB 3.28Å; Q1425-T1428 PolarHBondContact O-N 3.19Å; Y1426-T1428 VanDerWaalsContact C-N 3.27Å; Y1426-T1428 PolarHBondContact O-N 2.99Å; T1428-V1430 VanDerWaalsContact C-N 3.32Å; T1428-V1430 PolarHBondContact O-N 3.22Å; T1428-V1431 PolarHBondContact O-N 2.87Å; T1428-M1432 HydrophobicContact CG2-CE 4.21Å; T1428-M1432 HydrophobicContact CG2-CG 4.15Å; T1428-M1432 WeakPolarHBondContact O-CB 3.16Å; T1428-M1432 WeakPolarHBondContact O-CG 3.34Å; T1428-M1432 PolarHBondContact O-N 3.18Å; T1428-W1466 HydrophobicContact CG2-CZ2 3.96Å; T1428-W1466 PolarHBondContact OG1-NE1 3.32Å; T1428-L1847 HydrophobicContact CG2-CD2 3.8Å; T1428-L1847 HydrophobicContact CG2-CG 4.44Å; T1428-M1851 HydrophobicContact CG2-CE 4.37Å |
| 1429 | E | 91.4 | Very high | 92.1 | Very high | 113 Ų | 113 | 27.5 Ų | 27.5 | 53% | 0.528 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -58.4 | -43.3 | 175.4 | -70.8 | -175.6 | -177.4 | 0 | 0 | 112.6 | Q1425 Y1426 A1433 | Q1425-E1429 PolarHBondContact O-N 3.41Å; Y1426-E1429 PolarHBondContact O-N 3.07Å; E1429-A1433 VanDerWaalsContact O-CB 3.25Å; E1429-A1433 WeakPolarHBondContact O-CB 3.44Å; E1429-A1433 PolarHBondContact O-N 3.24Å |
| 1430 | V | 92.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.6 | -48.4 | 177.5 | 172 | 0 | 0 | 0 | 0 | 110.9 | R1388 V1391 Y1426 L1427 T1428 M1432 A1433 L1434 M1462 | R1388-V1430 HydrophobicContact CG-CG2 4.29Å; V1391-V1430 HydrophobicContact CG1-CG1 3.87Å; Y1426-V1430 HydrophobicContact CD1-CG2 4.35Å; Y1426-V1430 HydrophobicContact CD2-CG2 4.41Å; Y1426-V1430 HydrophobicContact CE1-CG2 3.9Å; Y1426-V1430 HydrophobicContact CE2-CG2 3.98Å; Y1426-V1430 WeakPolarHBondContact O-CG2 3.39Å; Y1426-V1430 PolarHBondContact O-N 3.29Å; L1427-V1430 PolarHBondContact O-N 3.14Å; T1428-V1430 VanDerWaalsContact C-N 3.32Å; T1428-V1430 PolarHBondContact O-N 3.22Å; V1430-M1432 PolarHBondContact O-N 3.47Å; V1430-A1433 PolarHBondContact O-N 2.89Å; V1430-L1434 HydrophobicContact CG1-CD1 3.73Å; V1430-L1434 HydrophobicContact CG1-CG 4.45Å; V1430-L1434 WeakPolarHBondContact O-CB 3.44Å; V1430-L1434 VanDerWaalsContact O-CG 3.29Å; V1430-L1434 WeakPolarHBondContact O-CG 3.42Å; V1430-L1434 PolarHBondContact O-N 3.08Å; V1430-M1462 HydrophobicContact CG1-CE 4.26Å |
| 1431 | V | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.3 | -45.4 | 179.5 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | L1427 T1428 L1434 L1435 M1462 L1463 W1466 | L1427-V1431 HydrophobicContact CD1-CG2 3.85Å; L1427-V1431 HydrophobicContact CG-CG2 4.29Å; L1427-V1431 WeakPolarHBondContact O-CB 3.23Å; L1427-V1431 VanDerWaalsContact O-CG2 3.28Å; L1427-V1431 WeakPolarHBondContact O-CG2 2.98Å; L1427-V1431 PolarHBondContact O-N 2.95Å; T1428-V1431 PolarHBondContact O-N 2.87Å; V1431-L1434 PolarHBondContact O-N 3.29Å; V1431-L1435 VanDerWaalsContact O-CB 3.25Å; V1431-L1435 WeakPolarHBondContact O-CB 3.41Å; V1431-L1435 PolarHBondContact O-N 3.38Å; V1431-M1462 HydrophobicContact CG2-CB 4.07Å; V1431-M1462 HydrophobicContact CG2-CE 4.14Å; V1431-L1463 HydrophobicContact CG1-CB 4.32Å; V1431-L1463 HydrophobicContact CG1-CD1 3.96Å; V1431-W1466 HydrophobicContact CG1-CB 4.47Å; V1431-W1466 HydrophobicContact CG1-CG 4.49Å; V1431-W1466 HydrophobicContact CG2-CB 4.46Å |
| 1432 | M | 93.7 | Very high | 91.4 | Very high | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.5 | -38.4 | -180 | -63.2 | -56.1 | 159.4 | 0 | 0 | 112.3 | T1428 V1430 L1435 R1436 W1466 Y1732 L1736 | T1428-M1432 HydrophobicContact CG2-CE 4.21Å; T1428-M1432 HydrophobicContact CG2-CG 4.15Å; T1428-M1432 WeakPolarHBondContact O-CB 3.16Å; T1428-M1432 WeakPolarHBondContact O-CG 3.34Å; T1428-M1432 PolarHBondContact O-N 3.18Å; V1430-M1432 PolarHBondContact O-N 3.47Å; M1432-L1435 PolarHBondContact O-N 2.99Å; M1432-L1435 HydrophobicContact SD-CD2 4.46Å; M1432-R1436 WeakPolarHBondContact O-CG 3.38Å; M1432-R1436 PolarHBondContact O-N 3.14Å; M1432-W1466 HydrophobicContact CE-CD2 4.23Å; M1432-W1466 HydrophobicContact CE-CE3 4.11Å; M1432-W1466 HydrophobicContact CE-CH2 3.24Å; M1432-W1466 HydrophobicContact CE-CZ2 3.36Å; M1432-W1466 HydrophobicContact CE-CZ3 3.66Å; M1432-Y1732 HydrophobicContact CE-CD1 4.43Å; M1432-Y1732 HydrophobicContact CG-CE1 4.17Å; M1432-Y1732 HydrophobicContact SD-CD1 4.47Å; M1432-Y1732 HydrophobicContact SD-CE1 4.17Å; M1432-L1736 HydrophobicContact SD-CD1 4.02Å |
| 1433 | A | 90.9 | Very high | 91 | Very high | 14 Ų | 14 | 37.9 Ų | 37.9 | 12% | 0.116 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.8 | -42.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1429 V1430 R1437 | E1429-A1433 VanDerWaalsContact O-CB 3.25Å; E1429-A1433 WeakPolarHBondContact O-CB 3.44Å; E1429-A1433 PolarHBondContact O-N 3.24Å; V1430-A1433 PolarHBondContact O-N 2.89Å; A1433-R1437 PolarHBondContact O-N 2.9Å |
| 1434 | L | 92.4 | Very high | 90.6 | Very high | 15 Ų | 15 | 43.1 Ų | 43.1 | 8% | 0.079 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.5 | -39.7 | 174.9 | -72.7 | 166.6 | 0 | 0 | 0 | 111.8 | L1392 I1395 V1430 V1431 R1437 L1438 V1459 M1462 | L1392-L1434 HydrophobicContact CD2-CD2 3.34Å; L1392-L1434 HydrophobicContact CD2-CG 3.66Å; I1395-L1434 HydrophobicContact CD1-CD1 3.45Å; I1395-L1434 VanDerWaalsContact CD1-CD1 3.45Å; I1395-L1434 HydrophobicContact CD1-CD2 4.16Å; I1395-L1434 HydrophobicContact CD1-CG 4.45Å; V1430-L1434 HydrophobicContact CG1-CD1 3.73Å; V1430-L1434 HydrophobicContact CG1-CG 4.45Å; V1430-L1434 WeakPolarHBondContact O-CB 3.44Å; V1430-L1434 VanDerWaalsContact O-CG 3.29Å; V1430-L1434 WeakPolarHBondContact O-CG 3.42Å; V1430-L1434 PolarHBondContact O-N 3.08Å; V1431-L1434 PolarHBondContact O-N 3.29Å; L1434-R1437 WeakPolarHBondContact O-CB 3.37Å; L1434-R1437 PolarHBondContact O-N 2.91Å; L1434-L1438 PolarHBondContact O-N 3Å; L1434-V1459 HydrophobicContact CB-CB 3.85Å; L1434-V1459 HydrophobicContact CB-CG2 3.39Å; L1434-V1459 HydrophobicContact CD1-CB 4.47Å; L1434-M1462 HydrophobicContact CD1-SD 4.16Å |
| 1435 | L | 92.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64 | -43.7 | 179.1 | -179.2 | 60 | 0 | 0 | 0 | 111 | V1431 M1432 R1437 L1438 I1439 L1452 V1459 L1463 L1733 L1736 | V1431-L1435 VanDerWaalsContact O-CB 3.25Å; V1431-L1435 WeakPolarHBondContact O-CB 3.41Å; V1431-L1435 PolarHBondContact O-N 3.38Å; M1432-L1435 PolarHBondContact O-N 2.99Å; M1432-L1435 HydrophobicContact SD-CD2 4.46Å; L1435-R1437 VanDerWaalsContact C-N 3.3Å; L1435-R1437 PolarHBondContact O-N 2.96Å; L1435-L1438 HydrophobicContact CD1-CD2 4.47Å; L1435-L1438 WeakPolarHBondContact O-CB 3.4Å; L1435-L1438 PolarHBondContact O-N 2.75Å; L1435-L1438 VanDerWaalsContact O-N 3.12Å; L1435-I1439 HydrophobicContact CD1-CD1 4.22Å; L1435-I1439 HydrophobicContact CD1-CG1 4.28Å; L1435-I1439 HydrophobicContact CG-CD1 3.89Å; L1435-I1439 HydrophobicContact CG-CG1 4.41Å; L1435-I1439 VanDerWaalsContact O-CG1 3.29Å; L1435-I1439 WeakPolarHBondContact O-CG1 3.25Å; L1435-I1439 PolarHBondContact O-N 2.86Å; L1435-L1452 HydrophobicContact CD1-CD2 4.42Å; L1435-V1459 HydrophobicContact CB-CG2 4.49Å; L1435-L1463 HydrophobicContact CD1-CD2 4.05Å; L1435-L1463 HydrophobicContact CD2-CD1 4.25Å; L1435-L1463 HydrophobicContact CD2-CD2 4.16Å; L1435-L1733 HydrophobicContact CD2-CD1 3.57Å; L1435-L1736 HydrophobicContact CD2-CD2 4.07Å |
| 1436 | R | 92.6 | Very high | 89.6 | Confident | 94 Ų | 94 | 51.4 Ų | 51.4 | 36% | 0.355 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.1 | -38.5 | 174 | -72.1 | -176 | -178.4 | 111.2 | -4.7 | 112.3 | M1432 I1439 S1440 L1736 E1740 | M1432-R1436 WeakPolarHBondContact O-CG 3.38Å; M1432-R1436 PolarHBondContact O-N 3.14Å; R1436-I1439 PolarHBondContact O-N 3.29Å; R1436-S1440 WeakPolarHBondContact O-CB 3.44Å; R1436-S1440 PolarHBondContact O-N 2.88Å; R1436-L1736 HydrophobicContact CG-CD1 4.49Å; R1436-E1740 IonicContact NE-OE1 2.83Å |
| 1437 | R | 90.2 | Very high | 89.2 | Confident | 130 Ų | 130 | 55.3 Ų | 55.3 | 49% | 0.491 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | 172.8 | -84 | -175.5 | 166.5 | 179.5 | -0.7 | 112.3 | A1433 L1434 L1435 S1440 K1441 | A1433-R1437 PolarHBondContact O-N 2.9Å; L1434-R1437 WeakPolarHBondContact O-CB 3.37Å; L1434-R1437 PolarHBondContact O-N 2.91Å; L1435-R1437 VanDerWaalsContact C-N 3.3Å; L1435-R1437 PolarHBondContact O-N 2.96Å; R1437-S1440 PolarHBondContact O-N 2.98Å; R1437-K1441 PolarHBondContact O-N 3.42Å; R1437-K1441 VanDerWaalsContact O-N 3.14Å |
| 1438 | L | 90.2 | Very high | 88.8 | Confident | 21 Ų | 21 | 55.8 Ų | 55.8 | 11% | 0.11 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.4 | -46 | 175.2 | -177 | 70.8 | 0 | 0 | 0 | 111 | L1434 L1435 S1440 K1441 C1442 M1451 L1452 V1459 E1460 | L1434-L1438 PolarHBondContact O-N 3Å; L1435-L1438 HydrophobicContact CD1-CD2 4.47Å; L1435-L1438 WeakPolarHBondContact O-CB 3.4Å; L1435-L1438 PolarHBondContact O-N 2.75Å; L1435-L1438 VanDerWaalsContact O-N 3.12Å; L1438-S1440 VanDerWaalsContact C-N 3.35Å; L1438-S1440 PolarHBondContact O-N 3.37Å; L1438-K1441 PolarHBondContact O-N 3.24Å; L1438-C1442 WeakPolarHBondContact O-CB 3.39Å; L1438-C1442 PolarHBondContact O-N 3.47Å; L1438-C1442 PolarHBondContact O-SG 2.81Å; L1438-M1451 HydrophobicContact CD2-CG 4.3Å; L1438-M1451 HydrophobicContact CD2-SD 4.43Å; L1438-M1451 HydrophobicContact CG-SD 4.47Å; L1438-L1452 HydrophobicContact CD2-CD2 4.28Å; L1438-V1459 HydrophobicContact CB-CG1 4.11Å; L1438-V1459 HydrophobicContact CD1-CG1 4.39Å; L1438-V1459 HydrophobicContact CD2-CG1 3.95Å; L1438-V1459 HydrophobicContact CG-CG1 4.37Å; L1438-E1460 HydrophobicContact CD2-CG 3.73Å |
| 1439 | I | 90.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.1 | -46 | 178.5 | -67 | 164.5 | 0 | 0 | 0 | 110.3 | L1435 R1436 K1441 C1442 A1443 M1451 L1736 L1737 E1740 Y1744 W1756 | L1435-I1439 HydrophobicContact CD1-CD1 4.22Å; L1435-I1439 HydrophobicContact CD1-CG1 4.28Å; L1435-I1439 HydrophobicContact CG-CD1 3.89Å; L1435-I1439 HydrophobicContact CG-CG1 4.41Å; L1435-I1439 VanDerWaalsContact O-CG1 3.29Å; L1435-I1439 WeakPolarHBondContact O-CG1 3.25Å; L1435-I1439 PolarHBondContact O-N 2.86Å; R1436-I1439 PolarHBondContact O-N 3.29Å; I1439-K1441 VanDerWaalsContact C-N 3.28Å; I1439-K1441 PolarHBondContact O-N 2.99Å; I1439-C1442 PolarHBondContact O-N 3.42Å; I1439-A1443 WeakPolarHBondContact O-CB 3.23Å; I1439-A1443 PolarHBondContact O-N 3.1Å; I1439-M1451 HydrophobicContact CB-SD 4.39Å; I1439-M1451 HydrophobicContact CD1-CE 4.46Å; I1439-M1451 HydrophobicContact CG1-CE 3.75Å; I1439-M1451 HydrophobicContact CG1-SD 3.68Å; I1439-L1736 HydrophobicContact CD1-CD2 3.91Å; I1439-L1737 HydrophobicContact CD1-CD2 4Å; I1439-E1740 HydrophobicContact CD1-CB 4.19Å; I1439-E1740 HydrophobicContact CD1-CG 4.13Å; I1439-E1740 HydrophobicContact CG2-CB 3.81Å; I1439-E1740 HydrophobicContact CG2-CG 4.46Å; I1439-Y1744 HydrophobicContact CG2-CD2 4.09Å; I1439-Y1744 HydrophobicContact CG2-CE2 4.07Å; I1439-W1756 HydrophobicContact CG2-CH2 3.7Å; I1439-W1756 HydrophobicContact CG2-CZ3 3.97Å |
| 1440 | S | 88.4 | Confident | 88.2 | Confident | 39 Ų | 39 | 57.5 Ų | 57.5 | 27% | 0.273 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -56.9 | -40.6 | 176.4 | -171.1 | 0 | 0 | 0 | 0 | 112.8 | R1436 R1437 L1438 Y1744 | R1436-S1440 WeakPolarHBondContact O-CB 3.44Å; R1436-S1440 PolarHBondContact O-N 2.88Å; R1437-S1440 PolarHBondContact O-N 2.98Å; L1438-S1440 VanDerWaalsContact C-N 3.35Å; L1438-S1440 PolarHBondContact O-N 3.37Å; S1440-Y1744 WeakPolarHBondContact CB-OH 3.22Å; S1440-Y1744 PolarHBondContact OG-OH 3.07Å; S1440-Y1744 VanDerWaalsContact OG-OH 3.06Å |
| 1441 | K | 87.5 | Confident | 88 | Confident | 159 Ų | 159 | 57.9 Ų | 57.9 | 69% | 0.691 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -71 | -42.7 | 176.7 | -171.3 | -178.7 | 179.6 | -176.7 | 0 | 112.3 | R1437 L1438 I1439 Q1444 | R1437-K1441 PolarHBondContact O-N 3.42Å; R1437-K1441 VanDerWaalsContact O-N 3.14Å; L1438-K1441 PolarHBondContact O-N 3.24Å; I1439-K1441 VanDerWaalsContact C-N 3.28Å; I1439-K1441 PolarHBondContact O-N 2.99Å; K1441-Q1444 PolarHBondContact O-N 3Å |
| 1442 | C | 85.9 | Confident | 87.7 | Confident | 27 Ų | 27 | 58 Ų | 58 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -75.4 | -30.3 | -177.6 | -74.3 | 0 | 0 | 0 | 0 | 113.1 | L1438 I1439 Q1444 S1445 M1451 | L1438-C1442 WeakPolarHBondContact O-CB 3.39Å; L1438-C1442 PolarHBondContact O-N 3.47Å; L1438-C1442 PolarHBondContact O-SG 2.81Å; I1439-C1442 PolarHBondContact O-N 3.42Å; C1442-Q1444 PolarHBondContact O-N 3.21Å; C1442-S1445 VanDerWaalsContact O-CB 3.24Å; C1442-S1445 WeakPolarHBondContact O-CB 3.46Å; C1442-S1445 PolarHBondContact O-N 2.95Å; C1442-S1445 PolarHBondContact O-OG 2.8Å; C1442-M1451 HydrophobicContact CB-CB 4.39Å; C1442-M1451 HydrophobicContact CB-CG 4.13Å; C1442-M1451 HydrophobicContact CB-SD 4.01Å |
| 1443 | A | 81.6 | Confident | 87.3 | Confident | 19 Ų | 19 | 65.3 Ų | 65.3 | 16% | 0.157 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.4 | -25 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1439 S1445 Y1744 | I1439-A1443 WeakPolarHBondContact O-CB 3.23Å; I1439-A1443 PolarHBondContact O-N 3.1Å; A1443-S1445 VanDerWaalsContact C-N 3.33Å; A1443-Y1744 HydrophobicContact CB-CD1 3.65Å; A1443-Y1744 HydrophobicContact CB-CD2 3.96Å; A1443-Y1744 HydrophobicContact CB-CE1 4.3Å; A1443-Y1744 HydrophobicContact CB-CG 3.46Å; A1443-Y1744 VanDerWaalsContact CB-CG 3.46Å |
| 1444 | Q | 81.8 | Confident | 87 | Confident | 163 Ų | 163 | 73.6 Ų | 73.6 | 76% | 0.762 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -2.6 | 175.1 | -61 | 175.8 | 14 | 0 | 0 | 113.1 | K1441 C1442 | K1441-Q1444 PolarHBondContact O-N 3Å; C1442-Q1444 PolarHBondContact O-N 3.21Å |
| 1445 | S | 82.9 | Confident | 86.5 | Confident | 56 Ų | 56 | 75.2 Ų | 75.2 | 39% | 0.392 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -84.2 | 160.3 | 178.8 | 80.8 | 0 | 0 | 0 | 0 | 112 | C1442 A1443 H1447 | C1442-S1445 VanDerWaalsContact O-CB 3.24Å; C1442-S1445 WeakPolarHBondContact O-CB 3.46Å; C1442-S1445 PolarHBondContact O-N 2.95Å; C1442-S1445 PolarHBondContact O-OG 2.8Å; A1443-S1445 VanDerWaalsContact C-N 3.33Å; S1445-H1447 PolarHBondContact O-N 2.79Å |
| 1446 | K | 83.2 | Confident | 86.1 | Confident | 192 Ų | 192 | 81 Ų | 81 | 84% | 0.835 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -66.1 | -19.8 | 177.1 | -77.3 | -173.6 | 175.9 | -177.9 | 0 | 114.5 | ||
| 1447 | H | 85.3 | Confident | 86 | Confident | 105 Ų | 105 | 77 Ų | 77 | 49% | 0.486 | 36% | 0.358 | S | S | . | . | trans | -136.1 | 63.6 | -172.7 | -59.5 | -54.2 | 0 | 0 | 0 | 110.8 | S1445 Q1449 L1450 | S1445-H1447 PolarHBondContact O-N 2.79Å; H1447-Q1449 PolarHBondContact O-N 3.37Å; H1447-Q1449 VanDerWaalsContact O-N 3.12Å; H1447-L1450 HydrophobicContact CB-CD1 3.61Å; H1447-L1450 HydrophobicContact CB-CG 3.94Å; H1447-L1450 WeakPolarHBondContact O-CB 3.47Å; H1447-L1450 PolarHBondContact O-N 3.34Å | ||
| 1448 | P | 84.6 | Confident | 86.1 | Confident | 11 Ų | 11 | 70.8 Ų | 70.8 | 7% | 0.071 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -56 | -32.8 | -176.9 | 23.8 | -34 | 0 | 0 | 0 | 112.1 | L1450 M1451 I1752 W1756 | P1448-L1450 PolarHBondContact O-N 2.85Å; P1448-M1451 WeakPolarHBondContact O-CB 3.2Å; P1448-M1451 PolarHBondContact O-N 3.09Å; P1448-M1451 VanDerWaalsContact O-N 3.12Å; P1448-I1752 HydrophobicContact CB-CD1 4.41Å; P1448-I1752 HydrophobicContact CB-CG2 4.42Å; P1448-I1752 HydrophobicContact CG-CD1 3.72Å; P1448-I1752 HydrophobicContact CG-CG1 4.36Å; P1448-W1756 HydrophobicContact CB-CZ2 4.34Å; P1448-W1756 PolarHBondContact O-NE1 2.8Å |
| 1449 | Q | 85.7 | Confident | 86.2 | Confident | 76 Ų | 76 | 70.1 Ų | 70.1 | 36% | 0.355 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -60.5 | -14 | 177.4 | 67.1 | -84.7 | 18.3 | 0 | 0 | 115.3 | H1447 A1755 N1759 | H1447-Q1449 PolarHBondContact O-N 3.37Å; H1447-Q1449 VanDerWaalsContact O-N 3.12Å; Q1449-A1755 HydrophobicContact CB-CB 3.86Å; Q1449-N1759 PolarHBondContact O-ND2 2.02Å |
| 1450 | L | 86.4 | Confident | 86.2 | Confident | 80 Ų | 80 | 70.7 Ų | 70.7 | 42% | 0.419 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -86.9 | -7.1 | 177.8 | -63 | 178.5 | 0 | 0 | 0 | 113.6 | H1447 P1448 R1453 | H1447-L1450 HydrophobicContact CB-CD1 3.61Å; H1447-L1450 HydrophobicContact CB-CG 3.94Å; H1447-L1450 WeakPolarHBondContact O-CB 3.47Å; H1447-L1450 PolarHBondContact O-N 3.34Å; P1448-L1450 PolarHBondContact O-N 2.85Å; L1450-R1453 WeakPolarHBondContact O-CB 2.85Å; L1450-R1453 PolarHBondContact O-N 3.29Å; L1450-R1453 VanDerWaalsContact O-N 3.16Å |
| 1451 | M | 88.4 | Confident | 86.4 | Confident | 9 Ų | 9 | 70.4 Ų | 70.4 | 4% | 0.044 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 142 | 177.3 | -168.2 | -169.3 | 75.6 | 0 | 0 | 111 | L1438 I1439 C1442 P1448 R1453 L1737 W1756 N1759 | L1438-M1451 HydrophobicContact CD2-CG 4.3Å; L1438-M1451 HydrophobicContact CD2-SD 4.43Å; L1438-M1451 HydrophobicContact CG-SD 4.47Å; I1439-M1451 HydrophobicContact CB-SD 4.39Å; I1439-M1451 HydrophobicContact CD1-CE 4.46Å; I1439-M1451 HydrophobicContact CG1-CE 3.75Å; I1439-M1451 HydrophobicContact CG1-SD 3.68Å; C1442-M1451 HydrophobicContact CB-CB 4.39Å; C1442-M1451 HydrophobicContact CB-CG 4.13Å; C1442-M1451 HydrophobicContact CB-SD 4.01Å; P1448-M1451 WeakPolarHBondContact O-CB 3.2Å; P1448-M1451 PolarHBondContact O-N 3.09Å; P1448-M1451 VanDerWaalsContact O-N 3.12Å; M1451-R1453 PolarHBondContact O-N 2.98Å; M1451-R1453 VanDerWaalsContact O-N 3.15Å; M1451-L1737 HydrophobicContact CE-CD2 4.12Å; M1451-W1756 HydrophobicContact CE-CB 4.32Å; M1451-W1756 HydrophobicContact CE-CD2 3.65Å; M1451-W1756 HydrophobicContact CE-CE3 4.15Å; M1451-W1756 HydrophobicContact CE-CG 3.74Å; M1451-W1756 HydrophobicContact CE-CZ2 4.45Å; M1451-N1759 WeakPolarHBondContact O-CB 3.47Å; M1451-N1759 PolarHBondContact O-ND2 3.5Å |
| 1452 | L | 87.2 | Confident | 86.8 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | -2 | -176.5 | -47.8 | 179.3 | 0 | 0 | 0 | 115.4 | L1435 L1438 E1460 L1463 N1759 R1764 | L1435-L1452 HydrophobicContact CD1-CD2 4.42Å; L1438-L1452 HydrophobicContact CD2-CD2 4.28Å; L1452-E1460 HydrophobicContact CD2-CG 3.73Å; L1452-E1460 PolarHBondContact N-OE1 2.87Å; L1452-L1463 HydrophobicContact CD1-CD2 3.96Å; L1452-L1463 HydrophobicContact CD2-CD2 3.89Å; L1452-N1759 HydrophobicContact CB-CB 3.94Å; L1452-R1764 VanDerWaalsContact O-CD 3.29Å; L1452-R1764 WeakPolarHBondContact O-CD 3.26Å; L1452-R1764 PolarHBondContact O-NE 2.88Å; L1452-R1764 VanDerWaalsContact O-NE 3.15Å |
| 1453 | R | 85.8 | Confident | 87.2 | Confident | 160 Ų | 160 | 61.6 Ų | 61.6 | 60% | 0.604 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -72.7 | -31 | -179 | -168.8 | 173.6 | 176.6 | 178 | 0.3 | 113 | L1450 M1451 | L1450-R1453 WeakPolarHBondContact O-CB 2.85Å; L1450-R1453 PolarHBondContact O-N 3.29Å; L1450-R1453 VanDerWaalsContact O-N 3.16Å; M1451-R1453 PolarHBondContact O-N 2.98Å; M1451-R1453 VanDerWaalsContact O-N 3.15Å |
| 1454 | R | 84 | Confident | 87.7 | Confident | 188 Ų | 188 | 61.8 Ų | 61.8 | 71% | 0.709 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -131.1 | 155.4 | 174.3 | -67.6 | -177.6 | 179.2 | 171.2 | 0.1 | 108.7 | E1456 | R1454-E1456 HydrophobicContact CB-CG 4.25Å; R1454-E1456 PolarHBondContact O-N 3.02Å |
| 1455 | T | 82.2 | Confident | 88.3 | Confident | 48 Ų | 48 | 54 Ų | 54 | 29% | 0.294 | 25% | 0.252 | S | S | . | . | trans | -91.2 | 96.3 | 179.4 | -42.9 | 0 | 0 | 0 | 0 | 109.6 | V1410 E1460 K1461 R1764 | V1410-T1455 HydrophobicContact CG2-CG2 3.68Å; T1455-E1460 HydrophobicContact CG2-CB 4.21Å; T1455-K1461 HydrophobicContact CG2-CB 3.78Å; T1455-R1764 VanDerWaalsContact CB-NH2 3.33Å; T1455-R1764 VanDerWaalsContact CG2-NH2 3.32Å; T1455-R1764 PolarHBondContact OG1-NH2 3.06Å | ||
| 1456 | E | 84.3 | Confident | 88.8 | Confident | 123 Ų | 123 | 51.4 Ų | 51.4 | 58% | 0.575 | 23% | 0.233 | S | C | * | . | trans | -114.4 | -9.7 | -176.6 | -62.3 | -170.9 | 179.2 | 0 | 0 | 113.2 | K1409 R1454 E1460 | K1409-E1456 WeakPolarHBondContact CD-O 3.32Å; K1409-E1456 PolarHBondContact NZ-O 3.24Å; R1454-E1456 HydrophobicContact CB-CG 4.25Å; R1454-E1456 PolarHBondContact O-N 3.02Å; E1456-E1460 PolarHBondContact N-OE2 2.88Å | ||
| 1457 | S | 89.6 | Confident | 89.4 | Confident | 10 Ų | 10 | 42.3 Ų | 42.3 | 7% | 0.07 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -128.1 | 157.2 | 176.8 | 60.9 | 0 | 0 | 0 | 0 | 113 | E1399 V1459 E1460 K1461 | E1399-S1457 WeakPolarHBondContact OE1-CA 3.22Å; E1399-S1457 VanDerWaalsContact OE1-CB 3.31Å; E1399-S1457 WeakPolarHBondContact OE1-CB 3.42Å; S1457-V1459 VanDerWaalsContact C-N 3.31Å; S1457-V1459 VanDerWaalsContact OG-CG1 3.29Å; S1457-V1459 WeakPolarHBondContact OG-CG1 3.43Å; S1457-E1460 PolarHBondContact N-OE2 2.79Å; S1457-E1460 WeakPolarHBondContact O-CB 3.3Å; S1457-E1460 PolarHBondContact O-N 3.01Å; S1457-E1460 VanDerWaalsContact OG-CB 3.24Å; S1457-E1460 WeakPolarHBondContact OG-CB 3.33Å; S1457-E1460 WeakPolarHBondContact OG-CG 3.21Å; S1457-E1460 PolarHBondContact OG-N 3Å; S1457-E1460 PolarHBondContact OG-OE2 3.19Å; S1457-K1461 PolarHBondContact O-N 3.29Å |
| 1458 | V | 92.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.4 | -44.3 | 174 | 177.2 | 0 | 0 | 0 | 0 | 109.7 | I1395 E1399 F1404 K1409 V1412 L1416 E1460 K1461 M1462 | I1395-V1458 HydrophobicContact CD1-CG1 4.39Å; I1395-V1458 HydrophobicContact CG1-CG1 4.37Å; I1395-V1458 HydrophobicContact CG2-CB 4.01Å; I1395-V1458 HydrophobicContact CG2-CG1 4.24Å; I1395-V1458 HydrophobicContact CG2-CG2 4.36Å; E1399-V1458 HydrophobicContact CG-CG2 3.83Å; E1399-V1458 WeakPolarHBondContact OE1-CB 3.45Å; E1399-V1458 WeakPolarHBondContact OE1-CG2 3.44Å; E1399-V1458 PolarHBondContact OE1-N 2.87Å; F1404-V1458 HydrophobicContact CE1-CG2 3.82Å; F1404-V1458 HydrophobicContact CZ-CG2 4.46Å; K1409-V1458 HydrophobicContact CB-CG2 4.05Å; K1409-V1458 HydrophobicContact CG-CG2 4.22Å; V1412-V1458 HydrophobicContact CG1-CG1 4.4Å; L1416-V1458 HydrophobicContact CD1-CG1 3.82Å; V1458-E1460 VanDerWaalsContact C-N 3.31Å; V1458-E1460 PolarHBondContact O-N 3.4Å; V1458-K1461 PolarHBondContact O-N 2.95Å; V1458-K1461 VanDerWaalsContact O-N 3.15Å; V1458-M1462 HydrophobicContact CG1-CG 4.31Å; V1458-M1462 HydrophobicContact CG1-SD 4.01Å; V1458-M1462 WeakPolarHBondContact O-CG 3.26Å; V1458-M1462 PolarHBondContact O-N 2.9Å |
| 1459 | V | 92.2 | Very high | 90.1 | Very high | 6 Ų | 6 | 37.1 Ų | 37.1 | 4% | 0.036 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.9 | -38.6 | 178.3 | 59.1 | 0 | 0 | 0 | 0 | 112.2 | L1434 L1435 L1438 S1457 K1461 M1462 L1463 | L1434-V1459 HydrophobicContact CB-CB 3.85Å; L1434-V1459 HydrophobicContact CB-CG2 3.39Å; L1434-V1459 HydrophobicContact CD1-CB 4.47Å; L1435-V1459 HydrophobicContact CB-CG2 4.49Å; L1438-V1459 HydrophobicContact CB-CG1 4.11Å; L1438-V1459 HydrophobicContact CD1-CG1 4.39Å; L1438-V1459 HydrophobicContact CD2-CG1 3.95Å; L1438-V1459 HydrophobicContact CG-CG1 4.37Å; S1457-V1459 VanDerWaalsContact C-N 3.31Å; S1457-V1459 VanDerWaalsContact OG-CG1 3.29Å; S1457-V1459 WeakPolarHBondContact OG-CG1 3.43Å; V1459-K1461 VanDerWaalsContact C-N 3.29Å; V1459-K1461 PolarHBondContact O-N 3.23Å; V1459-M1462 PolarHBondContact O-N 3.5Å; V1459-L1463 WeakPolarHBondContact O-CB 3.5Å; V1459-L1463 PolarHBondContact O-N 3.26Å |
| 1460 | E | 91.7 | Very high | 90.4 | Very high | 13 Ų | 13 | 33.6 Ų | 33.6 | 6% | 0.061 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.9 | -39.2 | 177.1 | -92 | 173.6 | 149.1 | 0 | 0 | 111.4 | L1438 L1452 T1455 E1456 S1457 V1458 A1464 R1764 | L1438-E1460 HydrophobicContact CD2-CG 3.73Å; L1452-E1460 HydrophobicContact CD2-CG 3.73Å; L1452-E1460 PolarHBondContact N-OE1 2.87Å; T1455-E1460 HydrophobicContact CG2-CB 4.21Å; E1456-E1460 PolarHBondContact N-OE2 2.88Å; S1457-E1460 PolarHBondContact N-OE2 2.79Å; S1457-E1460 WeakPolarHBondContact O-CB 3.3Å; S1457-E1460 PolarHBondContact O-N 3.01Å; S1457-E1460 VanDerWaalsContact OG-CB 3.24Å; S1457-E1460 WeakPolarHBondContact OG-CB 3.33Å; S1457-E1460 WeakPolarHBondContact OG-CG 3.21Å; S1457-E1460 PolarHBondContact OG-N 3Å; S1457-E1460 PolarHBondContact OG-OE2 3.19Å; V1458-E1460 VanDerWaalsContact C-N 3.31Å; V1458-E1460 PolarHBondContact O-N 3.4Å; E1460-A1464 PolarHBondContact O-N 3.49Å; E1460-A1464 VanDerWaalsContact O-N 3.17Å; E1460-R1764 PolarHBondContact O-NH1 2.82Å; E1460-R1764 PolarHBondContact O-NH2 2.91Å |
| 1461 | K | 93.1 | Very high | 90.7 | Very high | 33 Ų | 33 | 30 Ų | 30 | 14% | 0.143 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -72.4 | -41.1 | 173.7 | -177.4 | 53.6 | 171.7 | 157.6 | 0 | 111.8 | V1347 V1410 S1414 T1455 S1457 V1458 V1459 L1463 A1464 N1465 | V1347-K1461 PolarHBondContact O-NZ 3.09Å; V1410-K1461 HydrophobicContact CB-CG 4.35Å; V1410-K1461 HydrophobicContact CG1-CD 3.89Å; V1410-K1461 HydrophobicContact CG1-CG 3.94Å; V1410-K1461 WeakPolarHBondContact O-CG 3.35Å; S1414-K1461 WeakPolarHBondContact OG-CE 3.18Å; T1455-K1461 HydrophobicContact CG2-CB 3.78Å; S1457-K1461 PolarHBondContact O-N 3.29Å; V1458-K1461 PolarHBondContact O-N 2.95Å; V1458-K1461 VanDerWaalsContact O-N 3.15Å; V1459-K1461 VanDerWaalsContact C-N 3.29Å; V1459-K1461 PolarHBondContact O-N 3.23Å; K1461-L1463 VanDerWaalsContact C-N 3.29Å; K1461-L1463 PolarHBondContact O-N 3.41Å; K1461-A1464 PolarHBondContact O-N 3.19Å; K1461-N1465 WeakPolarHBondContact CD-OD1 3.5Å; K1461-N1465 WeakPolarHBondContact CE-OD1 3.28Å; K1461-N1465 PolarHBondContact NZ-OD1 3.38Å; K1461-N1465 WeakPolarHBondContact O-CB 3.45Å; K1461-N1465 PolarHBondContact O-N 3.12Å; K1461-N1465 PolarHBondContact O-ND2 3.07Å; K1461-N1465 PolarHBondContact O-OD1 3.05Å |
| 1462 | M | 94.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.4 | -39.9 | 174.9 | -68.8 | 179.4 | 73 | 0 | 0 | 111.7 | I1395 G1413 L1416 L1427 V1430 V1431 L1434 V1458 V1459 N1465 W1466 | I1395-M1462 HydrophobicContact CD1-SD 4.09Å; G1413-M1462 WeakPolarHBondContact O-CG 3.32Å; L1416-M1462 HydrophobicContact CB-CE 4.01Å; L1416-M1462 HydrophobicContact CB-SD 4.07Å; L1416-M1462 HydrophobicContact CD1-SD 4.07Å; L1427-M1462 HydrophobicContact CD1-CE 3.8Å; V1430-M1462 HydrophobicContact CG1-CE 4.26Å; V1431-M1462 HydrophobicContact CG2-CB 4.07Å; V1431-M1462 HydrophobicContact CG2-CE 4.14Å; L1434-M1462 HydrophobicContact CD1-SD 4.16Å; V1458-M1462 HydrophobicContact CG1-CG 4.31Å; V1458-M1462 HydrophobicContact CG1-SD 4.01Å; V1458-M1462 WeakPolarHBondContact O-CG 3.26Å; V1458-M1462 PolarHBondContact O-N 2.9Å; V1459-M1462 PolarHBondContact O-N 3.5Å; M1462-N1465 PolarHBondContact O-N 3.48Å; M1462-W1466 VanDerWaalsContact O-CB 3.25Å; M1462-W1466 WeakPolarHBondContact O-CB 3.21Å; M1462-W1466 PolarHBondContact O-N 3.09Å |
| 1463 | L | 94 | Very high | 91 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.3 | -45.5 | 175 | 179.8 | 66.3 | 0 | 0 | 0 | 111.4 | V1431 L1435 L1452 V1459 K1461 N1465 W1466 I1467 L1733 | V1431-L1463 HydrophobicContact CG1-CB 4.32Å; V1431-L1463 HydrophobicContact CG1-CD1 3.96Å; L1435-L1463 HydrophobicContact CD1-CD2 4.05Å; L1435-L1463 HydrophobicContact CD2-CD1 4.25Å; L1435-L1463 HydrophobicContact CD2-CD2 4.16Å; L1452-L1463 HydrophobicContact CD1-CD2 3.96Å; L1452-L1463 HydrophobicContact CD2-CD2 3.89Å; V1459-L1463 WeakPolarHBondContact O-CB 3.5Å; V1459-L1463 PolarHBondContact O-N 3.26Å; K1461-L1463 VanDerWaalsContact C-N 3.29Å; K1461-L1463 PolarHBondContact O-N 3.41Å; L1463-N1465 VanDerWaalsContact C-N 3.3Å; L1463-N1465 PolarHBondContact O-N 2.87Å; L1463-W1466 HydrophobicContact CD1-CE3 3.94Å; L1463-W1466 HydrophobicContact CD1-CZ3 4.37Å; L1463-W1466 PolarHBondContact O-N 3.35Å; L1463-I1467 HydrophobicContact CD1-CD1 4.39Å; L1463-I1467 HydrophobicContact CD1-CG1 4.41Å; L1463-I1467 HydrophobicContact CG-CD1 4.17Å; L1463-I1467 WeakPolarHBondContact O-CG1 3.34Å; L1463-I1467 PolarHBondContact O-N 3.38Å; L1463-L1733 HydrophobicContact CD1-CD1 4.07Å; L1463-L1733 HydrophobicContact CD1-CD2 4.24Å |
| 1464 | A | 92.1 | Very high | 91.2 | Very high | 22 Ų | 22 | 27 Ų | 27 | 18% | 0.182 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.3 | -39.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1460 K1461 A1468 | E1460-A1464 PolarHBondContact O-N 3.49Å; E1460-A1464 VanDerWaalsContact O-N 3.17Å; K1461-A1464 PolarHBondContact O-N 3.19Å; A1464-A1468 WeakPolarHBondContact O-CB 3.47Å; A1464-A1468 PolarHBondContact O-N 3.01Å; A1464-A1468 VanDerWaalsContact O-N 3.1Å |
| 1465 | N | 93.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.4 | -43.2 | 174.7 | -64.4 | -17.2 | 0 | 0 | 0 | 111.4 | L1348 S1414 T1417 K1461 M1462 L1463 A1468 L1469 | L1348-N1465 HydrophobicContact CD2-CB 3.72Å; L1348-N1465 WeakPolarHBondContact CD2-ND2 3.44Å; S1414-N1465 WeakPolarHBondContact CA-ND2 3.34Å; S1414-N1465 PolarHBondContact OG-ND2 3.25Å; T1417-N1465 HydrophobicContact CG2-CB 3.83Å; T1417-N1465 PolarHBondContact OG1-ND2 3.13Å; K1461-N1465 WeakPolarHBondContact CD-OD1 3.5Å; K1461-N1465 WeakPolarHBondContact CE-OD1 3.28Å; K1461-N1465 PolarHBondContact NZ-OD1 3.38Å; K1461-N1465 WeakPolarHBondContact O-CB 3.45Å; K1461-N1465 PolarHBondContact O-N 3.12Å; K1461-N1465 PolarHBondContact O-ND2 3.07Å; K1461-N1465 PolarHBondContact O-OD1 3.05Å; M1462-N1465 PolarHBondContact O-N 3.48Å; L1463-N1465 VanDerWaalsContact C-N 3.3Å; L1463-N1465 PolarHBondContact O-N 2.87Å; N1465-A1468 PolarHBondContact O-N 3.42Å; N1465-L1469 VanDerWaalsContact O-CG 3.26Å; N1465-L1469 WeakPolarHBondContact O-CG 3.39Å; N1465-L1469 PolarHBondContact O-N 2.83Å |
| 1466 | W | 95.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60 | -47.1 | 176.6 | 176.2 | 86.2 | 0 | 0 | 0 | 111.7 | T1428 V1431 M1432 M1462 L1463 A1468 L1469 C1470 P1729 L1733 M1851 | T1428-W1466 HydrophobicContact CG2-CZ2 3.96Å; T1428-W1466 PolarHBondContact OG1-NE1 3.32Å; V1431-W1466 HydrophobicContact CG1-CB 4.47Å; V1431-W1466 HydrophobicContact CG1-CG 4.49Å; V1431-W1466 HydrophobicContact CG2-CB 4.46Å; M1432-W1466 HydrophobicContact CE-CD2 4.23Å; M1432-W1466 HydrophobicContact CE-CE3 4.11Å; M1432-W1466 HydrophobicContact CE-CH2 3.24Å; M1432-W1466 HydrophobicContact CE-CZ2 3.36Å; M1432-W1466 HydrophobicContact CE-CZ3 3.66Å; M1462-W1466 VanDerWaalsContact O-CB 3.25Å; M1462-W1466 WeakPolarHBondContact O-CB 3.21Å; M1462-W1466 PolarHBondContact O-N 3.09Å; L1463-W1466 HydrophobicContact CD1-CE3 3.94Å; L1463-W1466 HydrophobicContact CD1-CZ3 4.37Å; L1463-W1466 PolarHBondContact O-N 3.35Å; W1466-A1468 VanDerWaalsContact C-N 3.3Å; W1466-A1468 PolarHBondContact O-N 2.99Å; W1466-L1469 PolarHBondContact O-N 3.36Å; W1466-C1470 WeakPolarHBondContact O-CB 3.36Å; W1466-C1470 PolarHBondContact O-N 3.32Å; W1466-C1470 PolarHBondContact O-SG 2.94Å; W1466-P1729 HydrophobicContact CH2-CB 3.5Å; W1466-P1729 VanDerWaalsContact CH2-CB 3.5Å; W1466-P1729 WeakPolarHBondContact CH2-O 3.49Å; W1466-P1729 HydrophobicContact CZ2-CB 3.7Å; W1466-P1729 HydrophobicContact CZ3-CB 4.35Å; W1466-L1733 HydrophobicContact CZ3-CB 4.32Å; W1466-L1733 HydrophobicContact CZ3-CD2 4.29Å; W1466-M1851 HydrophobicContact CZ2-CE 3.76Å |
| 1467 | I | 94.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 14.9 Ų | 14.9 | 1% | 0.01 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -56.2 | -47.1 | 174 | -69.5 | 172.6 | 0 | 0 | 0 | 110 | L1463 C1470 L1471 I1730 L1733 L1761 F1765 | L1463-I1467 HydrophobicContact CD1-CD1 4.39Å; L1463-I1467 HydrophobicContact CD1-CG1 4.41Å; L1463-I1467 HydrophobicContact CG-CD1 4.17Å; L1463-I1467 WeakPolarHBondContact O-CG1 3.34Å; L1463-I1467 PolarHBondContact O-N 3.38Å; I1467-C1470 PolarHBondContact O-N 3.11Å; I1467-L1471 HydrophobicContact CG2-CD1 3.59Å; I1467-L1471 HydrophobicContact CG2-CG 4.23Å; I1467-L1471 VanDerWaalsContact O-CB 3.31Å; I1467-L1471 WeakPolarHBondContact O-CB 3.4Å; I1467-L1471 VanDerWaalsContact O-CG 3.23Å; I1467-L1471 WeakPolarHBondContact O-CG 3.34Å; I1467-L1471 PolarHBondContact O-N 3.24Å; I1467-I1730 HydrophobicContact CG1-CD1 4.47Å; I1467-I1730 HydrophobicContact CG2-CD1 4.13Å; I1467-L1733 HydrophobicContact CD1-CD2 3.74Å; I1467-L1733 HydrophobicContact CG1-CD2 4.13Å; I1467-L1761 HydrophobicContact CG2-CD1 4.18Å; I1467-F1765 HydrophobicContact CG2-CB 4.01Å; I1467-F1765 HydrophobicContact CG2-CD2 4Å; I1467-F1765 HydrophobicContact CG2-CG 3.99Å |
| 1468 | A | 93 | Very high | 91.7 | Very high | 5 Ų | 5 | 18.9 Ų | 18.9 | 4% | 0.041 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.2 | -43 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y1343 V1347 A1464 N1465 W1466 C1470 L1471 Y1472 F1765 | Y1343-A1468 WeakPolarHBondContact CE1-O 3.33Å; Y1343-A1468 PolarHBondContact OH-O 3.28Å; V1347-A1468 HydrophobicContact CG1-CB 3.51Å; V1347-A1468 HydrophobicContact CG2-CB 4.47Å; A1464-A1468 WeakPolarHBondContact O-CB 3.47Å; A1464-A1468 PolarHBondContact O-N 3.01Å; A1464-A1468 VanDerWaalsContact O-N 3.1Å; N1465-A1468 PolarHBondContact O-N 3.42Å; W1466-A1468 VanDerWaalsContact C-N 3.3Å; W1466-A1468 PolarHBondContact O-N 2.99Å; A1468-C1470 VanDerWaalsContact C-N 3.35Å; A1468-C1470 PolarHBondContact O-N 2.95Å; A1468-L1471 PolarHBondContact O-N 3.11Å; A1468-Y1472 PolarHBondContact O-N 3.47Å; A1468-F1765 HydrophobicContact CB-CD2 4.16Å; A1468-F1765 HydrophobicContact CB-CE2 4.07Å |
| 1469 | L | 92.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.4 | -39.5 | 176 | -65.1 | 173.3 | 0 | 0 | 0 | 111.7 | A1344 T1417 M1421 M1424 N1465 W1466 Y1858 | A1344-L1469 HydrophobicContact CB-CD2 3.78Å; T1417-L1469 HydrophobicContact CG2-CD1 3.6Å; M1421-L1469 HydrophobicContact CB-CD1 4.4Å; M1421-L1469 HydrophobicContact CE-CD1 3.92Å; M1421-L1469 HydrophobicContact CE-CD2 3.62Å; M1421-L1469 HydrophobicContact CE-CG 4.44Å; M1424-L1469 HydrophobicContact CE-CB 4.15Å; M1424-L1469 HydrophobicContact CE-CD1 4.44Å; M1424-L1469 HydrophobicContact SD-CD1 4.31Å; N1465-L1469 VanDerWaalsContact O-CG 3.26Å; N1465-L1469 WeakPolarHBondContact O-CG 3.39Å; N1465-L1469 PolarHBondContact O-N 2.83Å; W1466-L1469 PolarHBondContact O-N 3.36Å; L1469-Y1858 HydrophobicContact CB-CE2 4.46Å; L1469-Y1858 HydrophobicContact CD2-CE1 4.28Å; L1469-Y1858 HydrophobicContact CD2-CE2 4.45Å; L1469-Y1858 WeakPolarHBondContact CD2-OH 3.13Å |
| 1470 | C | 92.3 | Very high | 91.3 | Very high | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.014 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -73.8 | -23.4 | 178.5 | -68.4 | 0 | 0 | 0 | 0 | 114.2 | W1466 I1467 A1468 P1729 | W1466-C1470 WeakPolarHBondContact O-CB 3.36Å; W1466-C1470 PolarHBondContact O-N 3.32Å; W1466-C1470 PolarHBondContact O-SG 2.94Å; I1467-C1470 PolarHBondContact O-N 3.11Å; A1468-C1470 VanDerWaalsContact C-N 3.35Å; A1468-C1470 PolarHBondContact O-N 2.95Å; C1470-P1729 HydrophobicContact CB-CB 4.12Å; C1470-P1729 HydrophobicContact CB-CG 4.08Å |
| 1471 | L | 92.4 | Very high | 91.2 | Very high | 4 Ų | 4 | 19.9 Ų | 19.9 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -96.4 | -2.3 | -176.4 | -71.1 | -175.7 | 0 | 0 | 0 | 114.5 | I1467 A1468 D1473 Y1474 L1475 P1727 I1730 L1761 F1765 | I1467-L1471 HydrophobicContact CG2-CD1 3.59Å; I1467-L1471 HydrophobicContact CG2-CG 4.23Å; I1467-L1471 VanDerWaalsContact O-CB 3.31Å; I1467-L1471 WeakPolarHBondContact O-CB 3.4Å; I1467-L1471 VanDerWaalsContact O-CG 3.23Å; I1467-L1471 WeakPolarHBondContact O-CG 3.34Å; I1467-L1471 PolarHBondContact O-N 3.24Å; A1468-L1471 PolarHBondContact O-N 3.11Å; L1471-D1473 VanDerWaalsContact C-N 3.3Å; L1471-D1473 PolarHBondContact O-N 3.14Å; L1471-Y1474 WeakPolarHBondContact O-CB 3.39Å; L1471-Y1474 PolarHBondContact O-N 3.21Å; L1471-Y1474 VanDerWaalsContact O-N 3.08Å; L1471-L1475 WeakPolarHBondContact O-CG 3.27Å; L1471-L1475 PolarHBondContact O-N 3.33Å; L1471-P1727 HydrophobicContact CD2-CB 3.65Å; L1471-P1727 HydrophobicContact CD2-CG 3.45Å; L1471-P1727 VanDerWaalsContact CD2-CG 3.45Å; L1471-I1730 HydrophobicContact CD1-CD1 4.08Å; L1471-I1730 HydrophobicContact CD1-CG1 4.39Å; L1471-I1730 HydrophobicContact CD2-CD1 4.19Å; L1471-I1730 HydrophobicContact CD2-CG1 3.75Å; L1471-I1730 HydrophobicContact CG-CD1 4.25Å; L1471-I1730 HydrophobicContact CG-CG1 4.36Å; L1471-L1761 HydrophobicContact CD1-CD1 3.65Å; L1471-F1765 HydrophobicContact CB-CE1 4.17Å; L1471-F1765 HydrophobicContact CB-CE2 4.03Å; L1471-F1765 HydrophobicContact CB-CZ 3.57Å; L1471-F1765 HydrophobicContact CD1-CD1 3.6Å; L1471-F1765 HydrophobicContact CD1-CD2 4.24Å; L1471-F1765 HydrophobicContact CD1-CE1 3.35Å; L1471-F1765 HydrophobicContact CD1-CE2 4.02Å; L1471-F1765 HydrophobicContact CD1-CG 4.03Å; L1471-F1765 HydrophobicContact CD1-CZ 3.55Å; L1471-F1765 HydrophobicContact CG-CE1 4.4Å; L1471-F1765 HydrophobicContact CG-CZ 4.21Å |
| 1472 | Y | 92 | Very high | 91.1 | Very high | 6 Ų | 6 | 18.8 Ų | 18.8 | 2% | 0.024 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -56.5 | -42.3 | 179.9 | -179.3 | -100.5 | 0 | 0 | 0 | 112.6 | H1338 R1340 Y1343 A1468 Y1474 L1475 Q1476 | H1338-Y1472 PolarHBondContact O-OH 3.16Å; R1340-Y1472 HydrophobicContact CB-CD1 4.08Å; R1340-Y1472 HydrophobicContact CB-CE1 3.66Å; R1340-Y1472 HydrophobicContact CG-CD1 3.83Å; R1340-Y1472 HydrophobicContact CG-CE1 3.95Å; R1340-Y1472 HydrophobicContact CG-CG 4.25Å; R1340-Y1472 PolarHBondContact N-OH 3.43Å; Y1343-Y1472 AromaticContact CD1-CD2 3.29Å; Y1343-Y1472 HydrophobicContact CD1-CD2 3.29Å; Y1343-Y1472 HydrophobicContact CD1-CE2 4.01Å; Y1343-Y1472 AromaticContact CD1-CG 3.98Å; Y1343-Y1472 HydrophobicContact CD1-CG 3.98Å; Y1343-Y1472 AromaticContact CD2-CD2 3.93Å; Y1343-Y1472 HydrophobicContact CD2-CD2 3.93Å; Y1343-Y1472 HydrophobicContact CD2-CE2 4.23Å; Y1343-Y1472 AromaticContact CE1-CD2 3.78Å; Y1343-Y1472 HydrophobicContact CE1-CD2 3.78Å; Y1343-Y1472 HydrophobicContact CE1-CG 4.28Å; Y1343-Y1472 HydrophobicContact CE2-CD2 4.35Å; Y1343-Y1472 AromaticContact CG-CD2 3.37Å; Y1343-Y1472 HydrophobicContact CG-CD2 3.37Å; Y1343-Y1472 AromaticContact CG-CE2 3.66Å; Y1343-Y1472 HydrophobicContact CG-CE2 3.66Å; Y1343-Y1472 HydrophobicContact CG-CG 4.45Å; A1468-Y1472 PolarHBondContact O-N 3.47Å; Y1472-Y1474 VanDerWaalsContact C-N 3.34Å; Y1472-Y1474 PolarHBondContact O-N 2.68Å; Y1472-L1475 WeakPolarHBondContact O-CB 3.35Å; Y1472-L1475 PolarHBondContact O-N 3.37Å; Y1472-Q1476 HydrophobicContact CD1-CG 4.42Å; Y1472-Q1476 VanDerWaalsContact CE1-CD 3.4Å; Y1472-Q1476 HydrophobicContact CE1-CG 4.02Å; Y1472-Q1476 VanDerWaalsContact CE1-NE2 3.3Å; Y1472-Q1476 PolarHBondContact O-N 3.13Å; Y1472-Q1476 PolarHBondContact OH-NE2 2.93Å |
| 1473 | D | 89.3 | Confident | 91 | Very high | 70 Ų | 70 | 18.8 Ų | 18.8 | 37% | 0.374 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -66.5 | -34.8 | 177.3 | -69.4 | -26.9 | 0 | 0 | 0 | 112.4 | R1340 L1471 Q1476 G1477 | R1340-D1473 IonicContact CZ-OD1 3.31Å; R1340-D1473 IonicContact NH1-OD1 3.28Å; R1340-D1473 IonicContact NH1-OD2 3.6Å; R1340-D1473 IonicContact NH2-OD1 3.88Å; R1340-D1473 PolarHBondContact NH2-OD1 3.14Å; R1340-D1473 IonicContact NH2-OD2 2.79Å; L1471-D1473 VanDerWaalsContact C-N 3.3Å; L1471-D1473 PolarHBondContact O-N 3.14Å; D1473-Q1476 PolarHBondContact O-N 3.37Å; D1473-G1477 PolarHBondContact O-N 2.68Å |
| 1474 | Y | 89.3 | Confident | 90.8 | Very high | 33 Ų | 33 | 19.1 Ų | 19.1 | 13% | 0.129 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.3 | -36.8 | 173.5 | -174 | -96 | 0 | 0 | 0 | 111.8 | L1471 Y1472 Q1476 G1477 A1479 S1716 N1719 P1727 W1766 | L1471-Y1474 WeakPolarHBondContact O-CB 3.39Å; L1471-Y1474 PolarHBondContact O-N 3.21Å; L1471-Y1474 VanDerWaalsContact O-N 3.08Å; Y1472-Y1474 VanDerWaalsContact C-N 3.34Å; Y1472-Y1474 PolarHBondContact O-N 2.68Å; Y1474-Q1476 VanDerWaalsContact C-N 3.32Å; Y1474-G1477 PolarHBondContact O-N 2.87Å; Y1474-G1477 VanDerWaalsContact O-N 3.12Å; Y1474-A1479 HydrophobicContact CD1-CB 4.15Å; Y1474-A1479 HydrophobicContact CE1-CB 3.7Å; Y1474-S1716 PolarHBondContact OH-O 3.1Å; Y1474-N1719 PolarHBondContact OH-O 3.06Å; Y1474-P1727 HydrophobicContact CD2-CG 3.62Å; Y1474-P1727 HydrophobicContact CE2-CG 4.43Å; Y1474-P1727 HydrophobicContact CG-CG 3.78Å; Y1474-W1766 HydrophobicContact CD1-CH2 4.17Å; Y1474-W1766 HydrophobicContact CD1-CZ2 4.1Å; Y1474-W1766 AromaticContact CE1-CH2 3.95Å; Y1474-W1766 HydrophobicContact CE1-CH2 3.95Å; Y1474-W1766 AromaticContact CE1-CZ2 3.7Å; Y1474-W1766 HydrophobicContact CE1-CZ2 3.7Å |
| 1475 | L | 91.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68.1 | -29.8 | 173.7 | -69.5 | 170.8 | 0 | 0 | 0 | 112.2 | F1337 Y1343 L1471 Y1472 G1477 G1480 F1765 W1766 I1769 I1776 | F1337-L1475 WeakPolarHBondContact CE1-O 3.1Å; Y1343-L1475 HydrophobicContact CE2-CD1 3.96Å; Y1343-L1475 WeakPolarHBondContact OH-CD1 3.42Å; L1471-L1475 WeakPolarHBondContact O-CG 3.27Å; L1471-L1475 PolarHBondContact O-N 3.33Å; Y1472-L1475 WeakPolarHBondContact O-CB 3.35Å; Y1472-L1475 PolarHBondContact O-N 3.37Å; L1475-G1477 PolarHBondContact O-N 3.27Å; L1475-G1480 WeakPolarHBondContact O-CA 3.49Å; L1475-G1480 PolarHBondContact O-N 3.25Å; L1475-G1480 VanDerWaalsContact O-N 3.13Å; L1475-F1765 HydrophobicContact CD1-CE2 4.22Å; L1475-F1765 HydrophobicContact CD1-CZ 3.62Å; L1475-F1765 HydrophobicContact CD2-CE1 4.28Å; L1475-F1765 HydrophobicContact CD2-CZ 4.03Å; L1475-F1765 HydrophobicContact CG-CZ 3.96Å; L1475-W1766 HydrophobicContact CD2-CH2 3.73Å; L1475-W1766 HydrophobicContact CD2-CZ3 3.65Å; L1475-I1769 HydrophobicContact CD1-CD1 4.49Å; L1475-I1769 HydrophobicContact CD2-CG2 4.26Å; L1475-I1776 HydrophobicContact CB-CD1 4.19Å; L1475-I1776 HydrophobicContact CD1-CD1 3.46Å; L1475-I1776 VanDerWaalsContact CD1-CD1 3.46Å; L1475-I1776 HydrophobicContact CD1-CG1 4.06Å; L1475-I1776 HydrophobicContact CD2-CD1 3.73Å; L1475-I1776 HydrophobicContact CG-CD1 3.98Å |
| 1476 | Q | 89.4 | Confident | 90.6 | Very high | 82 Ų | 82 | 19.3 Ų | 19.3 | 38% | 0.383 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -9.4 | 171.8 | -70.4 | -170.1 | -39.9 | 0 | 0 | 113.3 | F1337 Y1472 D1473 Y1474 | F1337-Q1476 HydrophobicContact CD1-CG 4.17Å; F1337-Q1476 HydrophobicContact CE1-CG 4.28Å; Y1472-Q1476 HydrophobicContact CD1-CG 4.42Å; Y1472-Q1476 VanDerWaalsContact CE1-CD 3.4Å; Y1472-Q1476 HydrophobicContact CE1-CG 4.02Å; Y1472-Q1476 VanDerWaalsContact CE1-NE2 3.3Å; Y1472-Q1476 PolarHBondContact O-N 3.13Å; Y1472-Q1476 PolarHBondContact OH-NE2 2.93Å; D1473-Q1476 PolarHBondContact O-N 3.37Å; Y1474-Q1476 VanDerWaalsContact C-N 3.32Å |
| 1477 | G | 85.1 | Confident | 90.4 | Very high | 22 Ų | 22 | 19.4 Ų | 19.4 | 23% | 0.227 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -156 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | D1473 Y1474 L1475 A1479 G1480 S1481 | D1473-G1477 PolarHBondContact O-N 2.68Å; Y1474-G1477 PolarHBondContact O-N 2.87Å; Y1474-G1477 VanDerWaalsContact O-N 3.12Å; L1475-G1477 PolarHBondContact O-N 3.27Å; G1477-A1479 PolarHBondContact O-N 3.38Å; G1477-A1479 VanDerWaalsContact O-N 3.15Å; G1477-G1480 PolarHBondContact O-N 3.09Å; G1477-S1481 PolarHBondContact O-N 3.4Å; G1477-S1481 PolarHBondContact O-OG 3.48Å |
| 1478 | P | 85.4 | Confident | 90.1 | Very high | 93 Ų | 93 | 22 Ų | 22 | 60% | 0.604 | 12% | 0.124 | S | C | * | . | H | α-helix | trans | -56.9 | -32.2 | -176.7 | -25.7 | 34.3 | 0 | 0 | 0 | 114.4 | S1481 S1482 | P1478-S1481 PolarHBondContact O-N 3.03Å; P1478-S1482 WeakPolarHBondContact O-CB 3.37Å; P1478-S1482 PolarHBondContact O-N 3.08Å; P1478-S1482 PolarHBondContact O-OG 2.77Å; P1478-S1482 VanDerWaalsContact O-OG 3.1Å |
| 1479 | A | 87.4 | Confident | 89.9 | Confident | 2 Ų | 2 | 21.8 Ų | 21.8 | 2% | 0.017 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.7 | -44 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y1474 G1477 S1482 L1483 W1766 | Y1474-A1479 HydrophobicContact CD1-CB 4.15Å; Y1474-A1479 HydrophobicContact CE1-CB 3.7Å; G1477-A1479 PolarHBondContact O-N 3.38Å; G1477-A1479 VanDerWaalsContact O-N 3.15Å; A1479-S1482 PolarHBondContact O-OG 3.1Å; A1479-L1483 WeakPolarHBondContact O-CB 3.29Å; A1479-L1483 PolarHBondContact O-N 3.42Å; A1479-L1483 VanDerWaalsContact O-N 3.11Å; A1479-W1766 HydrophobicContact CB-CH2 3.7Å; A1479-W1766 HydrophobicContact CB-CZ3 4.41Å |
| 1480 | G | 89.5 | Confident | 89.8 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -72.3 | -34.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1475 G1477 S1482 L1483 F1484 F1777 | L1475-G1480 WeakPolarHBondContact O-CA 3.49Å; L1475-G1480 PolarHBondContact O-N 3.25Å; L1475-G1480 VanDerWaalsContact O-N 3.13Å; G1477-G1480 PolarHBondContact O-N 3.09Å; G1480-S1482 PolarHBondContact O-N 3.02Å; G1480-L1483 PolarHBondContact O-N 3.42Å; G1480-F1484 PolarHBondContact O-N 3.5Å; G1480-F1777 WeakPolarHBondContact O-CZ 3.44Å |
| 1481 | S | 88.6 | Confident | 89.6 | Confident | 39 Ų | 39 | 22.3 Ų | 22.3 | 27% | 0.273 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -60.1 | -45.5 | 175.1 | -59.4 | 0 | 0 | 0 | 0 | 112.7 | I1335 G1477 P1478 F1484 L1485 | I1335-S1481 VanDerWaalsContact CD1-CA 3.46Å; I1335-S1481 WeakPolarHBondContact CD1-OG 3.5Å; G1477-S1481 PolarHBondContact O-N 3.4Å; G1477-S1481 PolarHBondContact O-OG 3.48Å; P1478-S1481 PolarHBondContact O-N 3.03Å; S1481-F1484 PolarHBondContact O-N 2.63Å; S1481-L1485 WeakPolarHBondContact O-CG 3.25Å; S1481-L1485 PolarHBondContact O-N 2.82Å |
| 1482 | S | 90.6 | Very high | 89.3 | Confident | 9 Ų | 9 | 26.3 Ų | 26.3 | 6% | 0.063 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.5 | -37.3 | 174.6 | 67.5 | 0 | 0 | 0 | 0 | 112.7 | P1478 A1479 G1480 L1485 L1486 S1716 | P1478-S1482 WeakPolarHBondContact O-CB 3.37Å; P1478-S1482 PolarHBondContact O-N 3.08Å; P1478-S1482 PolarHBondContact O-OG 2.77Å; P1478-S1482 VanDerWaalsContact O-OG 3.1Å; A1479-S1482 PolarHBondContact O-OG 3.1Å; G1480-S1482 PolarHBondContact O-N 3.02Å; S1482-L1485 PolarHBondContact O-N 3.15Å; S1482-L1486 WeakPolarHBondContact O-CB 3.21Å; S1482-L1486 PolarHBondContact O-N 3.28Å; S1482-S1716 WeakPolarHBondContact OG-CB 3.38Å |
| 1483 | L | 92.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.9 | -39.6 | 175.2 | -177.8 | 62 | 0 | 0 | 0 | 112.5 | A1479 G1480 L1486 F1487 F1713 I1769 I1770 I1776 F1777 | A1479-L1483 WeakPolarHBondContact O-CB 3.29Å; A1479-L1483 PolarHBondContact O-N 3.42Å; A1479-L1483 VanDerWaalsContact O-N 3.11Å; G1480-L1483 PolarHBondContact O-N 3.42Å; L1483-L1486 PolarHBondContact O-N 2.9Å; L1483-F1487 WeakPolarHBondContact O-CB 3.02Å; L1483-F1487 PolarHBondContact O-N 3.28Å; L1483-F1713 HydrophobicContact CB-CD2 3.78Å; L1483-F1713 HydrophobicContact CB-CE2 3.8Å; L1483-F1713 HydrophobicContact CD1-CD2 4.06Å; L1483-F1713 HydrophobicContact CD1-CE2 3.79Å; L1483-F1713 HydrophobicContact CD1-CZ 4.18Å; L1483-F1713 HydrophobicContact CG-CD2 4.5Å; L1483-F1713 HydrophobicContact CG-CE2 4.23Å; L1483-I1769 HydrophobicContact CD2-CG2 3.45Å; L1483-I1769 VanDerWaalsContact CD2-CG2 3.45Å; L1483-I1770 HydrophobicContact CD1-CG1 4.43Å; L1483-I1776 HydrophobicContact CD2-CD1 4.35Å; L1483-F1777 HydrophobicContact CB-CE2 4.34Å; L1483-F1777 HydrophobicContact CB-CZ 4.36Å; L1483-F1777 HydrophobicContact CD2-CE2 4.04Å; L1483-F1777 HydrophobicContact CD2-CZ 4.45Å; L1483-F1777 HydrophobicContact CG-CE2 4.02Å; L1483-F1777 HydrophobicContact CG-CZ 4.49Å |
| 1484 | F | 90.8 | Very high | 89.1 | Confident | 8 Ų | 8 | 23 Ų | 23 | 4% | 0.035 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.5 | -39.8 | 176.1 | -174.8 | -101.2 | 0 | 0 | 0 | 111.8 | L1330 I1335 P1336 G1480 S1481 F1487 K1488 F1777 V1779 | L1330-F1484 HydrophobicContact CD1-CD1 3.36Å; L1330-F1484 HydrophobicContact CD1-CE1 3.61Å; L1330-F1484 HydrophobicContact CD2-CD1 3.77Å; L1330-F1484 HydrophobicContact CD2-CE1 4.29Å; L1330-F1484 HydrophobicContact CG-CD1 3.72Å; L1330-F1484 HydrophobicContact CG-CE1 3.85Å; I1335-F1484 HydrophobicContact CB-CD1 4.33Å; I1335-F1484 HydrophobicContact CB-CG 4.44Å; I1335-F1484 HydrophobicContact CD1-CB 4.1Å; I1335-F1484 HydrophobicContact CD1-CD1 4.19Å; I1335-F1484 HydrophobicContact CD1-CG 4.38Å; I1335-F1484 HydrophobicContact CG1-CB 4.45Å; I1335-F1484 HydrophobicContact CG1-CD1 3.76Å; I1335-F1484 HydrophobicContact CG1-CE1 4.17Å; I1335-F1484 HydrophobicContact CG1-CG 4.19Å; I1335-F1484 HydrophobicContact CG2-CB 3.92Å; I1335-F1484 HydrophobicContact CG2-CD1 3.98Å; I1335-F1484 HydrophobicContact CG2-CD2 3.74Å; I1335-F1484 HydrophobicContact CG2-CE1 4.39Å; I1335-F1484 HydrophobicContact CG2-CE2 4.17Å; I1335-F1484 HydrophobicContact CG2-CG 3.62Å; I1335-F1484 HydrophobicContact CG2-CZ 4.47Å; P1336-F1484 VanDerWaalsContact CD-CE2 3.5Å; P1336-F1484 VanDerWaalsContact CD-CZ 3.41Å; P1336-F1484 HydrophobicContact CG-CE2 3.88Å; P1336-F1484 HydrophobicContact CG-CZ 4.07Å; G1480-F1484 PolarHBondContact O-N 3.5Å; S1481-F1484 PolarHBondContact O-N 2.63Å; F1484-F1487 PolarHBondContact O-N 3Å; F1484-K1488 HydrophobicContact CD1-CG 4.13Å; F1484-K1488 HydrophobicContact CE1-CG 3.76Å; F1484-K1488 HydrophobicContact CE2-CG 4.42Å; F1484-K1488 HydrophobicContact CZ-CD 4.35Å; F1484-K1488 VanDerWaalsContact CZ-CE 3.48Å; F1484-K1488 HydrophobicContact CZ-CG 3.92Å; F1484-K1488 WeakPolarHBondContact O-CB 3.4Å; F1484-K1488 PolarHBondContact O-N 3.46Å; F1484-F1777 HydrophobicContact CB-CD1 4.38Å; F1484-F1777 HydrophobicContact CB-CD2 4.39Å; F1484-F1777 HydrophobicContact CB-CE1 3.9Å; F1484-F1777 HydrophobicContact CB-CE2 3.94Å; F1484-F1777 HydrophobicContact CB-CZ 3.69Å; F1484-F1777 HydrophobicContact CD2-CB 4.1Å; F1484-F1777 AromaticContact CD2-CD1 3.88Å; F1484-F1777 HydrophobicContact CD2-CD1 3.88Å; F1484-F1777 AromaticContact CD2-CD2 3.87Å; F1484-F1777 HydrophobicContact CD2-CD2 3.87Å; F1484-F1777 HydrophobicContact CD2-CE1 4.27Å; F1484-F1777 HydrophobicContact CD2-CE2 4.29Å; F1484-F1777 AromaticContact CD2-CG 3.67Å; F1484-F1777 HydrophobicContact CD2-CG 3.67Å; F1484-F1777 HydrophobicContact CD2-CZ 4.49Å; F1484-F1777 HydrophobicContact CE2-CB 4.34Å; F1484-F1777 HydrophobicContact CE2-CG 4.38Å; F1484-F1777 HydrophobicContact CG-CD1 4.47Å; F1484-F1777 HydrophobicContact CG-CE1 4.45Å; F1484-V1779 HydrophobicContact CD2-CG1 4.34Å; F1484-V1779 HydrophobicContact CE2-CG1 3.58Å |
| 1485 | L | 89.2 | Confident | 89 | Confident | 28 Ų | 28 | 23.7 Ų | 23.7 | 15% | 0.147 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.5 | -46.5 | 171.2 | -80.5 | 164.2 | 0 | 0 | 0 | 111.5 | T1327 L1330 S1481 S1482 K1488 A1489 F1709 | T1327-L1485 HydrophobicContact CG2-CD2 4.3Å; L1330-L1485 HydrophobicContact CB-CD2 3.67Å; L1330-L1485 HydrophobicContact CB-CG 4.46Å; L1330-L1485 HydrophobicContact CD1-CB 4.27Å; L1330-L1485 HydrophobicContact CD1-CD2 3.2Å; L1330-L1485 HydrophobicContact CD1-CG 3.6Å; L1330-L1485 HydrophobicContact CD2-CD1 4.38Å; L1330-L1485 HydrophobicContact CD2-CD2 3.88Å; L1330-L1485 HydrophobicContact CD2-CG 3.72Å; L1330-L1485 HydrophobicContact CG-CD2 3.72Å; L1330-L1485 HydrophobicContact CG-CG 4.08Å; S1481-L1485 WeakPolarHBondContact O-CG 3.25Å; S1481-L1485 PolarHBondContact O-N 2.82Å; S1482-L1485 PolarHBondContact O-N 3.15Å; L1485-K1488 PolarHBondContact O-N 2.91Å; L1485-A1489 VanDerWaalsContact O-CB 3.24Å; L1485-A1489 WeakPolarHBondContact O-CB 3.5Å; L1485-A1489 PolarHBondContact O-N 2.68Å; L1485-F1709 HydrophobicContact CB-CD1 4.03Å; L1485-F1709 HydrophobicContact CB-CE1 4.48Å; L1485-F1709 HydrophobicContact CD2-CE1 4.33Å |
| 1486 | L | 91.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.6 | -47 | 174.4 | 174.4 | 62.8 | 0 | 0 | 0 | 111.8 | S1482 L1483 K1488 A1489 L1490 F1709 V1710 F1713 V1792 | S1482-L1486 WeakPolarHBondContact O-CB 3.21Å; S1482-L1486 PolarHBondContact O-N 3.28Å; L1483-L1486 PolarHBondContact O-N 2.9Å; L1486-K1488 PolarHBondContact O-N 3.47Å; L1486-A1489 PolarHBondContact O-N 3.27Å; L1486-L1490 HydrophobicContact CD1-CD1 4.04Å; L1486-L1490 HydrophobicContact CD1-CG 4.12Å; L1486-L1490 HydrophobicContact CG-CD1 4.18Å; L1486-L1490 WeakPolarHBondContact O-CB 3.22Å; L1486-L1490 VanDerWaalsContact O-CG 3.28Å; L1486-L1490 WeakPolarHBondContact O-CG 3.44Å; L1486-L1490 PolarHBondContact O-N 2.87Å; L1486-F1709 HydrophobicContact CB-CB 4.34Å; L1486-F1709 HydrophobicContact CD1-CB 4.06Å; L1486-V1710 HydrophobicContact CD1-CG2 3.67Å; L1486-F1713 HydrophobicContact CD2-CB 4.2Å; L1486-F1713 HydrophobicContact CD2-CD1 4.13Å; L1486-F1713 HydrophobicContact CD2-CG 4.15Å; L1486-V1792 HydrophobicContact CD2-CG1 3.99Å |
| 1487 | F | 92.2 | Very high | 88.6 | Confident | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.009 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.9 | -47.5 | 176.6 | 168.6 | -97 | 0 | 0 | 0 | 112.1 | L1483 F1484 L1490 K1491 P1773 V1779 D1780 K1781 V1785 L1789 | L1483-F1487 WeakPolarHBondContact O-CB 3.02Å; L1483-F1487 PolarHBondContact O-N 3.28Å; F1484-F1487 PolarHBondContact O-N 3Å; F1487-L1490 PolarHBondContact O-N 3.37Å; F1487-K1491 WeakPolarHBondContact O-CB 3.35Å; F1487-K1491 PolarHBondContact O-N 2.94Å; F1487-P1773 HydrophobicContact CD2-CB 4.46Å; F1487-P1773 HydrophobicContact CD2-CG 3.91Å; F1487-P1773 HydrophobicContact CE2-CG 4.38Å; F1487-V1779 HydrophobicContact CD1-CB 4.48Å; F1487-V1779 HydrophobicContact CD1-CG1 4.38Å; F1487-V1779 HydrophobicContact CD1-CG2 4.29Å; F1487-V1779 HydrophobicContact CE1-CB 3.6Å; F1487-V1779 HydrophobicContact CE1-CG1 3.81Å; F1487-V1779 HydrophobicContact CE1-CG2 3.68Å; F1487-V1779 HydrophobicContact CE2-CG2 4.16Å; F1487-V1779 HydrophobicContact CZ-CB 3.76Å; F1487-V1779 HydrophobicContact CZ-CG1 4.47Å; F1487-V1779 HydrophobicContact CZ-CG2 3.59Å; F1487-D1780 WeakPolarHBondContact CZ-O 3.38Å; F1487-K1781 HydrophobicContact CE2-CB 4.33Å; F1487-K1781 HydrophobicContact CE2-CG 4.36Å; F1487-V1785 HydrophobicContact CD2-CG1 3.77Å; F1487-V1785 HydrophobicContact CE2-CG1 3.75Å; F1487-L1789 HydrophobicContact CD2-CD1 4.2Å |
| 1488 | K | 88.1 | Confident | 88.8 | Confident | 56 Ų | 56 | 20.9 Ų | 20.9 | 24% | 0.243 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -67.4 | -39.4 | 179.4 | -80.1 | -75 | -170.9 | 173.3 | 0 | 112.2 | L1326 L1330 F1484 L1485 L1486 K1491 H1492 | L1326-K1488 HydrophobicContact CD2-CB 3.52Å; L1330-K1488 HydrophobicContact CD1-CB 4.27Å; L1330-K1488 HydrophobicContact CD1-CG 4.21Å; F1484-K1488 HydrophobicContact CD1-CG 4.13Å; F1484-K1488 HydrophobicContact CE1-CG 3.76Å; F1484-K1488 HydrophobicContact CE2-CG 4.42Å; F1484-K1488 HydrophobicContact CZ-CD 4.35Å; F1484-K1488 VanDerWaalsContact CZ-CE 3.48Å; F1484-K1488 HydrophobicContact CZ-CG 3.92Å; F1484-K1488 WeakPolarHBondContact O-CB 3.4Å; F1484-K1488 PolarHBondContact O-N 3.46Å; L1485-K1488 PolarHBondContact O-N 2.91Å; L1486-K1488 PolarHBondContact O-N 3.47Å; K1488-K1491 PolarHBondContact O-N 3.13Å; K1488-H1492 WeakPolarHBondContact O-CB 3.06Å; K1488-H1492 PolarHBondContact O-N 3.28Å |
| 1489 | A | 87.7 | Confident | 89.1 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.4 | -44.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | M1323 L1485 L1486 Q1493 F1709 | M1323-A1489 HydrophobicContact SD-CB 4.03Å; L1485-A1489 VanDerWaalsContact O-CB 3.24Å; L1485-A1489 WeakPolarHBondContact O-CB 3.5Å; L1485-A1489 PolarHBondContact O-N 2.68Å; L1486-A1489 PolarHBondContact O-N 3.27Å; A1489-Q1493 VanDerWaalsContact O-CB 3.23Å; A1489-Q1493 WeakPolarHBondContact O-CB 3.02Å; A1489-Q1493 PolarHBondContact O-N 2.89Å; A1489-F1709 HydrophobicContact CB-CB 4.26Å; A1489-F1709 HydrophobicContact CB-CD1 4.01Å; A1489-F1709 HydrophobicContact CB-CD2 3.49Å; A1489-F1709 VanDerWaalsContact CB-CD2 3.49Å; A1489-F1709 HydrophobicContact CB-CE1 4.19Å; A1489-F1709 HydrophobicContact CB-CE2 3.71Å; A1489-F1709 HydrophobicContact CB-CG 3.64Å; A1489-F1709 HydrophobicContact CB-CZ 4.05Å |
| 1490 | L | 90.5 | Very high | 89.2 | Confident | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.01 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.1 | -47.4 | 173.5 | -71.6 | 174.8 | 0 | 0 | 0 | 111.7 | L1486 F1487 Q1493 T1494 L1510 V1706 V1785 C1788 L1789 | L1486-L1490 HydrophobicContact CD1-CD1 4.04Å; L1486-L1490 HydrophobicContact CD1-CG 4.12Å; L1486-L1490 HydrophobicContact CG-CD1 4.18Å; L1486-L1490 WeakPolarHBondContact O-CB 3.22Å; L1486-L1490 VanDerWaalsContact O-CG 3.28Å; L1486-L1490 WeakPolarHBondContact O-CG 3.44Å; L1486-L1490 PolarHBondContact O-N 2.87Å; F1487-L1490 PolarHBondContact O-N 3.37Å; L1490-Q1493 PolarHBondContact O-N 2.78Å; L1490-T1494 VanDerWaalsContact O-CG2 3.25Å; L1490-T1494 WeakPolarHBondContact O-CG2 3.4Å; L1490-T1494 PolarHBondContact O-N 3.01Å; L1490-T1494 PolarHBondContact O-OG1 3.41Å; L1490-T1494 VanDerWaalsContact O-OG1 3.1Å; L1490-L1510 HydrophobicContact CD2-CD1 3.58Å; L1490-L1510 HydrophobicContact CD2-CG 4.18Å; L1490-V1706 HydrophobicContact CD2-CB 4.37Å; L1490-V1706 HydrophobicContact CD2-CG1 4.25Å; L1490-V1706 HydrophobicContact CD2-CG2 4.07Å; L1490-V1785 HydrophobicContact CB-CG1 4.27Å; L1490-C1788 HydrophobicContact CD1-CB 4.04Å; L1490-C1788 HydrophobicContact CD2-CB 3.88Å; L1490-C1788 HydrophobicContact CG-CB 4.42Å; L1490-L1789 HydrophobicContact CD1-CD2 3.68Å; L1490-L1789 HydrophobicContact CD1-CG 3.94Å |
| 1491 | K | 89.1 | Confident | 89.1 | Confident | 13 Ų | 13 | 18.6 Ų | 18.6 | 6% | 0.057 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.8 | -52 | 177.7 | -170.5 | 177.9 | -178.7 | -174.3 | 0 | 111.5 | F1487 K1488 Q1493 T1494 E1495 D1570 V1785 | F1487-K1491 WeakPolarHBondContact O-CB 3.35Å; F1487-K1491 PolarHBondContact O-N 2.94Å; K1488-K1491 PolarHBondContact O-N 3.13Å; K1491-Q1493 PolarHBondContact O-N 3.44Å; K1491-T1494 PolarHBondContact O-N 3.13Å; K1491-T1494 PolarHBondContact O-OG1 2.95Å; K1491-E1495 WeakPolarHBondContact CE-OE1 3.5Å; K1491-E1495 IonicContact NZ-OE1 2.73Å; K1491-E1495 WeakPolarHBondContact O-CB 3.03Å; K1491-E1495 WeakPolarHBondContact O-CG 3.35Å; K1491-E1495 PolarHBondContact O-N 2.6Å; K1491-D1570 WeakPolarHBondContact CE-OD2 3.34Å; K1491-D1570 IonicContact NZ-OD1 2.78Å; K1491-D1570 IonicContact NZ-OD2 3.4Å; K1491-D1570 PolarHBondContact NZ-OD2 2.7Å; K1491-V1785 HydrophobicContact CB-CG2 3.92Å; K1491-V1785 HydrophobicContact CG-CG2 4.24Å |
| 1492 | H | 86.3 | Confident | 88.9 | Confident | 87 Ų | 87 | 20.1 Ų | 20.1 | 40% | 0.403 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -60.3 | -44.3 | 179.2 | -176.5 | 88.4 | 0 | 0 | 0 | 112.5 | M1323 L1326 K1488 E1495 K1496 | M1323-H1492 HydrophobicContact CE-CB 4.06Å; M1323-H1492 WeakPolarHBondContact CE-CD2 3.43Å; L1326-H1492 HydrophobicContact CD1-CB 3.77Å; K1488-H1492 WeakPolarHBondContact O-CB 3.06Å; K1488-H1492 PolarHBondContact O-N 3.28Å; H1492-E1495 PolarHBondContact O-N 2.7Å; H1492-K1496 WeakPolarHBondContact O-CB 3.36Å; H1492-K1496 PolarHBondContact O-N 2.67Å |
| 1493 | Q | 87.7 | Confident | 88.6 | Confident | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.019 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.7 | -41.9 | 179.6 | -174.9 | 64.4 | 1.3 | 0 | 0 | 111.2 | M1323 A1489 L1490 K1491 Y1508 T1702 T1705 V1706 | M1323-Q1493 HydrophobicContact CE-CB 4.28Å; A1489-Q1493 VanDerWaalsContact O-CB 3.23Å; A1489-Q1493 WeakPolarHBondContact O-CB 3.02Å; A1489-Q1493 PolarHBondContact O-N 2.89Å; L1490-Q1493 PolarHBondContact O-N 2.78Å; K1491-Q1493 PolarHBondContact O-N 3.44Å; Q1493-Y1508 VanDerWaalsContact O-CB 3.22Å; Q1493-Y1508 WeakPolarHBondContact O-CB 3.29Å; Q1493-Y1508 WeakPolarHBondContact O-CD2 3.44Å; Q1493-T1702 HydrophobicContact CG-CG2 3.85Å; Q1493-T1705 PolarHBondContact NE2-OG1 3.32Å; Q1493-V1706 HydrophobicContact CB-CG1 4.03Å; Q1493-V1706 HydrophobicContact CG-CG1 4.14Å |
| 1494 | T | 88.6 | Confident | 88.2 | Confident | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.012 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.4 | -41.4 | 176.1 | 57.6 | 0 | 0 | 0 | 0 | 112.6 | L1490 K1491 K1496 I1499 Y1508 T1784 V1785 | L1490-T1494 VanDerWaalsContact O-CG2 3.25Å; L1490-T1494 WeakPolarHBondContact O-CG2 3.4Å; L1490-T1494 PolarHBondContact O-N 3.01Å; L1490-T1494 PolarHBondContact O-OG1 3.41Å; L1490-T1494 VanDerWaalsContact O-OG1 3.1Å; K1491-T1494 PolarHBondContact O-N 3.13Å; K1491-T1494 PolarHBondContact O-OG1 2.95Å; T1494-K1496 PolarHBondContact O-N 2.88Å; T1494-I1499 WeakPolarHBondContact O-CD1 3.25Å; T1494-Y1508 WeakPolarHBondContact CA-O 3.24Å; T1494-Y1508 VanDerWaalsContact CG2-O 3.24Å; T1494-Y1508 WeakPolarHBondContact CG2-O 3.5Å; T1494-T1784 HydrophobicContact CG2-CG2 3.79Å; T1494-V1785 HydrophobicContact CG2-CG2 4.42Å |
| 1495 | E | 86.6 | Confident | 88.2 | Confident | 49 Ų | 49 | 24 Ų | 24 | 23% | 0.229 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -80.8 | -11.7 | -176 | -69.9 | 175.8 | 172.6 | 0 | 0 | 114.7 | K1491 H1492 G1497 I1499 K1567 | K1491-E1495 WeakPolarHBondContact CE-OE1 3.5Å; K1491-E1495 IonicContact NZ-OE1 2.73Å; K1491-E1495 WeakPolarHBondContact O-CB 3.03Å; K1491-E1495 WeakPolarHBondContact O-CG 3.35Å; K1491-E1495 PolarHBondContact O-N 2.6Å; H1492-E1495 PolarHBondContact O-N 2.7Å; E1495-G1497 PolarHBondContact O-N 3.28Å; E1495-I1499 HydrophobicContact CG-CD1 4.09Å; E1495-K1567 PolarHBondContact O-NZ 3.1Å |
| 1496 | K | 85.2 | Confident | 88.2 | Confident | 44 Ų | 44 | 22.6 Ų | 22.6 | 19% | 0.191 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -27.7 | 176 | -176.9 | -179.3 | 177.9 | -175.8 | 0 | 112.8 | T1321 H1492 T1494 Y1508 | T1321-K1496 PolarHBondContact OG1-NZ 2.83Å; H1492-K1496 WeakPolarHBondContact O-CB 3.36Å; H1492-K1496 PolarHBondContact O-N 2.67Å; T1494-K1496 PolarHBondContact O-N 2.88Å; K1496-Y1508 HydrophobicContact CB-CD2 4.1Å; K1496-Y1508 HydrophobicContact CB-CE2 4.15Å; K1496-Y1508 HydrophobicContact CD-CE2 4.42Å; K1496-Y1508 HydrophobicContact CG-CE2 4.13Å |
| 1497 | G | 86.9 | Confident | 88 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -116.1 | 178 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113 | E1495 I1499 L1556 | E1495-G1497 PolarHBondContact O-N 3.28Å; G1497-I1499 PolarHBondContact O-N 2.89Å; G1497-L1556 WeakPolarHBondContact O-CD1 3.44Å |
| 1498 | P | 91 | Very high | 87.8 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | trans | -59.4 | 133.9 | 176.7 | -22.3 | 31.7 | 0 | 0 | 0 | 110.9 | A1506 R1507 L1516 V1520 Y1522 L1675 | P1498-A1506 WeakPolarHBondContact O-CA 3.12Å; P1498-R1507 PolarHBondContact O-N 2.85Å; P1498-L1516 HydrophobicContact CB-CD2 3.85Å; P1498-V1520 HydrophobicContact CB-CB 4.35Å; P1498-V1520 HydrophobicContact CB-CG1 4.35Å; P1498-V1520 HydrophobicContact CG-CB 4.28Å; P1498-V1520 HydrophobicContact CG-CG1 4.37Å; P1498-Y1522 VanDerWaalsContact CD-CD1 3.49Å; P1498-Y1522 HydrophobicContact CG-CD1 3.08Å; P1498-Y1522 HydrophobicContact CG-CD2 4.38Å; P1498-Y1522 HydrophobicContact CG-CE1 3.38Å; P1498-Y1522 HydrophobicContact CG-CG 3.63Å; P1498-L1675 HydrophobicContact CB-CD1 3.73Å | ||
| 1499 | I | 91.1 | Very high | 87.9 | Confident | 21 Ų | 21 | 21.8 Ų | 21.8 | 11% | 0.108 | 12% | 0.117 | C | C | . | . | B | Isolated β-bridge | trans | -124.4 | 129.1 | 170.5 | -55 | -179.9 | 0 | 0 | 0 | 106.9 | T1494 E1495 G1497 A1501 D1505 A1506 Q1563 H1674 | T1494-I1499 WeakPolarHBondContact O-CD1 3.25Å; E1495-I1499 HydrophobicContact CG-CD1 4.09Å; G1497-I1499 PolarHBondContact O-N 2.89Å; I1499-A1501 PolarHBondContact O-N 3.17Å; I1499-D1505 CarbonylContact C-O 3.56Å; I1499-D1505 WeakPolarHBondContact CA-O 3.49Å; I1499-A1506 HydrophobicContact CD1-CB 4.42Å; I1499-A1506 HydrophobicContact CG1-CB 3.81Å; I1499-Q1563 PolarHBondContact O-NE2 2.91Å; I1499-H1674 PolarHBondContact O-ND1 2.82Å |
| 1500 | D | 90 | Very high | 88 | Confident | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | trans | -68.3 | 124.3 | 170.2 | -171 | -68.1 | 0 | 0 | 0 | 109.4 | V1502 T1503 A1504 D1505 L1675 I1676 | D1500-V1502 PolarHBondContact O-N 3.04Å; D1500-V1502 WeakPolarHBondContact OD1-CA 3.17Å; D1500-V1502 WeakPolarHBondContact OD1-CB 3.44Å; D1500-V1502 PolarHBondContact OD1-N 2.83Å; D1500-T1503 WeakPolarHBondContact CB-OG1 3.32Å; D1500-T1503 PolarHBondContact OD1-N 3.42Å; D1500-A1504 WeakPolarHBondContact O-CA 3.42Å; D1500-A1504 PolarHBondContact O-N 3.47Å; D1500-D1505 PolarHBondContact N-O 2.87Å; D1500-L1675 HydrophobicContact CB-CB 4.39Å; D1500-L1675 WeakPolarHBondContact OD2-CA 3.33Å; D1500-L1675 PolarHBondContact OD2-N 2.88Å; D1500-I1676 HydrophobicContact CB-CD1 4.37Å; D1500-I1676 PolarHBondContact OD2-N 2.8Å | ||
| 1501 | A | 86.8 | Confident | 87.9 | Confident | 25 Ų | 25 | 22 Ų | 22 | 21% | 0.207 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -16.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1499 A1560 Q1563 L1613 H1674 | I1499-A1501 PolarHBondContact O-N 3.17Å; A1501-A1560 HydrophobicContact CB-CB 3.85Å; A1501-Q1563 HydrophobicContact CB-CG 4.02Å; A1501-L1613 HydrophobicContact CB-CD1 3.98Å; A1501-H1674 HydrophobicContact CB-CB 3.99Å; A1501-H1674 PolarHBondContact N-ND1 2.83Å |
| 1502 | V | 83.5 | Confident | 87.7 | Confident | 71 Ų | 71 | 24.1 Ų | 24.1 | 43% | 0.43 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -48.9 | -178.2 | -176 | 0 | 0 | 0 | 0 | 110.4 | D1500 L1613 H1674 | D1500-V1502 PolarHBondContact O-N 3.04Å; D1500-V1502 WeakPolarHBondContact OD1-CA 3.17Å; D1500-V1502 WeakPolarHBondContact OD1-CB 3.44Å; D1500-V1502 PolarHBondContact OD1-N 2.83Å; V1502-L1613 HydrophobicContact CG2-CD1 4.12Å; V1502-H1674 HydrophobicContact CG2-CB 4.3Å |
| 1503 | T | 84.1 | Confident | 87.6 | Confident | 47 Ų | 47 | 24.2 Ų | 24.2 | 29% | 0.288 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -18.8 | -177.8 | 75.4 | 0 | 0 | 0 | 0 | 113.9 | D1500 D1505 R1514 I1676 | D1500-T1503 WeakPolarHBondContact CB-OG1 3.32Å; D1500-T1503 PolarHBondContact OD1-N 3.42Å; T1503-D1505 WeakPolarHBondContact CB-OD2 3.34Å; T1503-D1505 PolarHBondContact O-N 3.21Å; T1503-D1505 WeakPolarHBondContact OG1-CB 3.15Å; T1503-D1505 PolarHBondContact OG1-N 2.63Å; T1503-D1505 PolarHBondContact OG1-OD2 2.95Å; T1503-R1514 PolarHBondContact O-NH1 2.88Å; T1503-I1676 HydrophobicContact CG2-CD1 4.22Å |
| 1504 | A | 85.8 | Confident | 87.6 | Confident | 21 Ų | 21 | 28 Ų | 28 | 17% | 0.174 | 15% | 0.146 | C | C | . | . | trans | 60.7 | 20.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | D1500 V1783 T1784 | D1500-A1504 WeakPolarHBondContact O-CA 3.42Å; D1500-A1504 PolarHBondContact O-N 3.47Å; A1504-V1783 HydrophobicContact CB-CB 4.1Å; A1504-V1783 HydrophobicContact CB-CG1 4.46Å; A1504-T1784 PolarHBondContact O-OG1 2.8Å | ||
| 1505 | D | 89.7 | Confident | 87.5 | Confident | 29 Ų | 29 | 28.1 Ų | 28.1 | 16% | 0.155 | 15% | 0.147 | C | C | . | . | trans | -76.5 | 130.9 | 172 | -60.3 | -32.8 | 0 | 0 | 0 | 109.7 | I1499 D1500 T1503 R1514 L1516 | I1499-D1505 CarbonylContact C-O 3.56Å; I1499-D1505 WeakPolarHBondContact CA-O 3.49Å; D1500-D1505 PolarHBondContact N-O 2.87Å; T1503-D1505 WeakPolarHBondContact CB-OD2 3.34Å; T1503-D1505 PolarHBondContact O-N 3.21Å; T1503-D1505 WeakPolarHBondContact OG1-CB 3.15Å; T1503-D1505 PolarHBondContact OG1-N 2.63Å; T1503-D1505 PolarHBondContact OG1-OD2 2.95Å; D1505-R1514 WeakPolarHBondContact CA-O 3.5Å; D1505-R1514 WeakPolarHBondContact OD1-CA 3.37Å; D1505-L1516 HydrophobicContact CB-CB 4.39Å; D1505-L1516 HydrophobicContact CB-CD1 4.28Å | ||
| 1506 | A | 89.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | B | Isolated β-bridge | trans | -120.1 | 145.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P1498 I1499 Y1508 R1514 L1515 L1516 T1784 | P1498-A1506 WeakPolarHBondContact O-CA 3.12Å; I1499-A1506 HydrophobicContact CD1-CB 4.42Å; I1499-A1506 HydrophobicContact CG1-CB 3.81Å; A1506-Y1508 VanDerWaalsContact C-N 3.26Å; A1506-Y1508 PolarHBondContact O-N 2.98Å; A1506-R1514 PolarHBondContact N-O 2.92Å; A1506-L1515 WeakPolarHBondContact O-CA 3.24Å; A1506-L1516 PolarHBondContact O-N 3.12Å; A1506-T1784 HydrophobicContact CB-CG2 3.59Å |
| 1507 | R | 88.2 | Confident | 87.2 | Confident | 32 Ų | 32 | 28.3 Ų | 28.3 | 12% | 0.121 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -60 | -37.9 | 174.1 | -178.1 | 175.9 | -177.8 | -173.5 | 5.9 | 112 | E1314 P1498 L1515 Y1522 | E1314-R1507 IonicContact OE2-NH2 2.89Å; P1498-R1507 PolarHBondContact O-N 2.85Å; R1507-L1515 VanDerWaalsContact O-CD1 3.3Å; R1507-L1515 WeakPolarHBondContact O-CD1 3.35Å; R1507-Y1522 PolarHBondContact NH1-OH 3.18Å |
| 1508 | Y | 88.1 | Confident | 86.7 | Confident | 8 Ų | 8 | 31.5 Ų | 31.5 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -108.4 | 93.8 | 179.1 | -54.3 | -60.3 | 0 | 0 | 0 | 109.9 | E1318 Q1493 T1494 K1496 A1506 Y1522 | E1318-Y1508 VanDerWaalsContact CD-OH 3.28Å; E1318-Y1508 PolarHBondContact OE1-OH 2.99Å; E1318-Y1508 WeakPolarHBondContact OE2-CE1 3.38Å; E1318-Y1508 PolarHBondContact OE2-OH 2.6Å; Q1493-Y1508 VanDerWaalsContact O-CB 3.22Å; Q1493-Y1508 WeakPolarHBondContact O-CB 3.29Å; Q1493-Y1508 WeakPolarHBondContact O-CD2 3.44Å; T1494-Y1508 WeakPolarHBondContact CA-O 3.24Å; T1494-Y1508 VanDerWaalsContact CG2-O 3.24Å; T1494-Y1508 WeakPolarHBondContact CG2-O 3.5Å; K1496-Y1508 HydrophobicContact CB-CD2 4.1Å; K1496-Y1508 HydrophobicContact CB-CE2 4.15Å; K1496-Y1508 HydrophobicContact CD-CE2 4.42Å; K1496-Y1508 HydrophobicContact CG-CE2 4.13Å; A1506-Y1508 VanDerWaalsContact C-N 3.26Å; A1506-Y1508 PolarHBondContact O-N 2.98Å; Y1508-Y1522 PolarHBondContact OH-OH 3.06Å |
| 1509 | S | 89.4 | Confident | 85.9 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -134.4 | 144.5 | 178.1 | 173.1 | 0 | 0 | 0 | 0 | 108.9 | S1511 L1699 | S1509-S1511 VanDerWaalsContact C-N 3.3Å; S1509-S1511 PolarHBondContact OG-N 3.45Å; S1509-S1511 PolarHBondContact OG-O 3.43Å; S1509-L1699 WeakPolarHBondContact O-CD2 3.26Å | ||
| 1510 | L | 90.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -79.9 | -16.3 | 167.5 | -65.8 | -178.9 | 0 | 0 | 0 | 112.3 | L1490 T1702 K1703 V1706 C1788 V1791 V1792 L1817 | L1490-L1510 HydrophobicContact CD2-CD1 3.58Å; L1490-L1510 HydrophobicContact CD2-CG 4.18Å; L1510-T1702 HydrophobicContact CD2-CG2 3.85Å; L1510-T1702 HydrophobicContact CG-CG2 4.19Å; L1510-K1703 HydrophobicContact CD2-CB 3.96Å; L1510-V1706 HydrophobicContact CD1-CG2 3.96Å; L1510-V1706 HydrophobicContact CD2-CG2 4.02Å; L1510-V1706 HydrophobicContact CG-CG2 4.37Å; L1510-C1788 HydrophobicContact CB-CB 4.18Å; L1510-C1788 HydrophobicContact CD1-CB 4.33Å; L1510-C1788 HydrophobicContact CG-CB 4.42Å; L1510-C1788 PolarHBondContact N-SG 3.46Å; L1510-V1791 HydrophobicContact CB-CB 4.44Å; L1510-V1792 HydrophobicContact CD1-CG2 4.14Å; L1510-L1817 HydrophobicContact CB-CD2 4.26Å; L1510-L1817 HydrophobicContact CD2-CD2 3.86Å |
| 1511 | S | 88.4 | Confident | 85.1 | Confident | 7 Ų | 7 | 45.3 Ų | 45.3 | 5% | 0.049 | 23% | 0.232 | C | C | . | . | trans | -98.7 | 123.1 | -179.8 | -179.3 | 0 | 0 | 0 | 0 | 110.4 | S1509 D1513 R1514 L1515 S1787 | S1509-S1511 VanDerWaalsContact C-N 3.3Å; S1509-S1511 PolarHBondContact OG-N 3.45Å; S1509-S1511 PolarHBondContact OG-O 3.43Å; S1511-D1513 PolarHBondContact O-N 3.2Å; S1511-D1513 PolarHBondContact OG-N 2.84Å; S1511-R1514 PolarHBondContact O-N 2.82Å; S1511-L1515 PolarHBondContact O-N 2.79Å; S1511-S1787 WeakPolarHBondContact CB-OG 3.47Å | ||
| 1512 | E | 83.8 | Confident | 85.2 | Confident | 58 Ų | 58 | 46.4 Ų | 46.4 | 27% | 0.271 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -57.4 | -29.3 | 171.4 | -170.8 | -171.8 | 160.8 | 0 | 0 | 111.6 | R1514 L1515 L1699 S1813 N1814 | E1512-R1514 VanDerWaalsContact C-N 3.27Å; E1512-R1514 PolarHBondContact O-N 2.93Å; E1512-L1515 PolarHBondContact O-N 3.44Å; E1512-L1699 HydrophobicContact CB-CD1 4.35Å; E1512-S1813 WeakPolarHBondContact OE2-CB 3.49Å; E1512-S1813 PolarHBondContact OE2-OG 2.87Å; E1512-N1814 PolarHBondContact N-OD1 2.02Å |
| 1513 | D | 84.4 | Confident | 85.3 | Confident | 89 Ų | 89 | 49.7 Ų | 49.7 | 48% | 0.476 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -70 | -25.9 | -176.9 | -79.5 | -41 | 0 | 0 | 0 | 114.2 | S1511 K1657 | S1511-D1513 PolarHBondContact O-N 3.2Å; S1511-D1513 PolarHBondContact OG-N 2.84Å; D1513-K1657 VanDerWaalsContact CA-NZ 3.34Å; D1513-K1657 PolarHBondContact O-NZ 3.05Å; D1513-K1657 IonicContact OD1-NZ 3.45Å; D1513-K1657 PolarHBondContact OD1-NZ 2.95Å |
| 1514 | R | 87.9 | Confident | 85.5 | Confident | 84 Ų | 84 | 50.6 Ų | 50.6 | 32% | 0.317 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -114.8 | 22.4 | -179.3 | -61 | -59.1 | -172.9 | 173.2 | 0.7 | 112.7 | T1503 D1505 A1506 S1511 E1512 T1784 S1787 | T1503-R1514 PolarHBondContact O-NH1 2.88Å; D1505-R1514 WeakPolarHBondContact CA-O 3.5Å; D1505-R1514 WeakPolarHBondContact OD1-CA 3.37Å; A1506-R1514 PolarHBondContact N-O 2.92Å; S1511-R1514 PolarHBondContact O-N 2.82Å; E1512-R1514 VanDerWaalsContact C-N 3.27Å; E1512-R1514 PolarHBondContact O-N 2.93Å; R1514-T1784 HydrophobicContact CB-CG2 4.38Å; R1514-S1787 WeakPolarHBondContact CG-OG 2.88Å |
| 1515 | L | 87 | Confident | 85.7 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -87.8 | 125.1 | 178 | -171.6 | 72.4 | 0 | 0 | 0 | 110.4 | A1506 R1507 S1511 E1512 K1517 Y1695 R1698 L1699 | A1506-L1515 WeakPolarHBondContact O-CA 3.24Å; R1507-L1515 VanDerWaalsContact O-CD1 3.3Å; R1507-L1515 WeakPolarHBondContact O-CD1 3.35Å; S1511-L1515 PolarHBondContact O-N 2.79Å; E1512-L1515 PolarHBondContact O-N 3.44Å; L1515-K1517 PolarHBondContact O-N 3Å; L1515-K1517 VanDerWaalsContact O-N 3.14Å; L1515-Y1695 HydrophobicContact CD2-CD1 4.15Å; L1515-Y1695 HydrophobicContact CD2-CG 4.2Å; L1515-R1698 HydrophobicContact CD1-CB 4.39Å; L1515-L1699 HydrophobicContact CD1-CD2 4.14Å; L1515-L1699 HydrophobicContact CD2-CD2 4.13Å; L1515-L1699 HydrophobicContact CD2-CG 4.24Å |
| 1516 | L | 86.4 | Confident | 85.8 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | trans | -70.6 | 107.8 | 174.2 | -172.7 | 65.1 | 0 | 0 | 0 | 109.8 | P1498 D1505 A1506 V1520 L1675 I1676 R1698 | P1498-L1516 HydrophobicContact CB-CD2 3.85Å; D1505-L1516 HydrophobicContact CB-CB 4.39Å; D1505-L1516 HydrophobicContact CB-CD1 4.28Å; A1506-L1516 PolarHBondContact O-N 3.12Å; L1516-V1520 HydrophobicContact CD2-CG2 3.95Å; L1516-L1675 HydrophobicContact CD2-CD1 3.96Å; L1516-I1676 HydrophobicContact CD1-CD1 3.77Å; L1516-I1676 HydrophobicContact CD1-CG1 3.89Å; L1516-R1698 PolarHBondContact O-NH1 3.41Å | ||
| 1517 | K | 79.6 | Confident | 86 | Confident | 95 Ų | 95 | 51.8 Ų | 51.8 | 41% | 0.413 | 25% | 0.252 | S | S | . | . | trans | -83.1 | -25.5 | -173.7 | -64.7 | -172 | 179.9 | -168 | 0 | 113.7 | L1515 Y1695 | L1515-K1517 PolarHBondContact O-N 3Å; L1515-K1517 VanDerWaalsContact O-N 3.14Å; K1517-Y1695 HydrophobicContact CB-CE1 4.07Å; K1517-Y1695 HydrophobicContact CG-CE1 4.34Å; K1517-Y1695 WeakPolarHBondContact O-CE1 3.43Å; K1517-Y1695 PolarHBondContact O-OH 2.88Å | ||
| 1518 | E | 75.4 | Confident | 86.2 | Confident | 67 Ų | 67 | 55.5 Ų | 55.5 | 31% | 0.313 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -76.6 | 144.3 | 176.3 | -63.9 | -173.2 | 174.9 | 0 | 0 | 110.3 | V1520 S1680 | E1518-V1520 PolarHBondContact O-N 3.02Å; E1518-S1680 WeakPolarHBondContact OE1-CB 3.36Å; E1518-S1680 PolarHBondContact OE1-OG 3.31Å; E1518-S1680 VanDerWaalsContact OE1-OG 3.07Å |
| 1519 | Q | 75.2 | Confident | 86.3 | Confident | 146 Ų | 146 | 55.1 Ų | 55.1 | 68% | 0.682 | 27% | 0.265 | S | S | * | . | trans | -85.5 | 111.3 | 175.6 | -165.8 | 169.7 | 5.7 | 0 | 0 | 108.1 | ||||
| 1520 | V | 81.6 | Confident | 86.2 | Confident | 31 Ų | 31 | 57.4 Ų | 57.4 | 19% | 0.188 | 28% | 0.277 | C | S | . | . | trans | -108.1 | 126.1 | -178.6 | 178.7 | 0 | 0 | 0 | 0 | 108.4 | P1498 L1516 E1518 Y1522 C1558 L1675 | P1498-V1520 HydrophobicContact CB-CB 4.35Å; P1498-V1520 HydrophobicContact CB-CG1 4.35Å; P1498-V1520 HydrophobicContact CG-CB 4.28Å; P1498-V1520 HydrophobicContact CG-CG1 4.37Å; L1516-V1520 HydrophobicContact CD2-CG2 3.95Å; E1518-V1520 PolarHBondContact O-N 3.02Å; V1520-Y1522 VanDerWaalsContact O-CD1 3.3Å; V1520-Y1522 WeakPolarHBondContact O-CD1 3.22Å; V1520-C1558 HydrophobicContact CG1-CB 4.16Å; V1520-L1675 HydrophobicContact CG1-CD1 4.34Å; V1520-L1675 HydrophobicContact CG1-CD2 4.04Å; V1520-L1675 HydrophobicContact CG2-CB 4.26Å; V1520-L1675 HydrophobicContact CG2-CD1 4.29Å | ||
| 1521 | D | 82.4 | Confident | 85.7 | Confident | 135 Ų | 135 | 59 Ų | 59 | 72% | 0.722 | 29% | 0.286 | S | S | * | . | trans | -76.1 | 126.4 | 172.7 | -68.2 | -29.1 | 0 | 0 | 0 | 110.4 | ||||
| 1522 | Y | 88.6 | Confident | 85 | Confident | 49 Ų | 49 | 60.3 Ų | 60.3 | 19% | 0.192 | 30% | 0.295 | C | S | . | . | trans | -146.9 | 153.4 | 178.8 | 67.7 | -84.9 | 0 | 0 | 0 | 111.8 | P1498 R1507 Y1508 V1520 L1556 C1558 | P1498-Y1522 VanDerWaalsContact CD-CD1 3.49Å; P1498-Y1522 HydrophobicContact CG-CD1 3.08Å; P1498-Y1522 HydrophobicContact CG-CD2 4.38Å; P1498-Y1522 HydrophobicContact CG-CE1 3.38Å; P1498-Y1522 HydrophobicContact CG-CG 3.63Å; R1507-Y1522 PolarHBondContact NH1-OH 3.18Å; Y1508-Y1522 PolarHBondContact OH-OH 3.06Å; V1520-Y1522 VanDerWaalsContact O-CD1 3.3Å; V1520-Y1522 WeakPolarHBondContact O-CD1 3.22Å; Y1522-L1556 HydrophobicContact CD2-CD1 4Å; Y1522-L1556 HydrophobicContact CD2-CD2 3.88Å; Y1522-L1556 HydrophobicContact CD2-CG 4.4Å; Y1522-L1556 HydrophobicContact CE2-CD1 4.43Å; Y1522-L1556 HydrophobicContact CE2-CD2 4.35Å; Y1522-L1556 HydrophobicContact CG-CD1 4.49Å; Y1522-C1558 VanDerWaalsContact CB-SG 3.55Å | ||
| 1523 | E | 86.1 | Confident | 83.9 | Confident | 139 Ų | 139 | 66.1 Ų | 66.1 | 65% | 0.65 | 32% | 0.322 | S | S | * | . | trans | -134.5 | 145.5 | 173.5 | -66.4 | 179 | 176.9 | 0 | 0 | 108.5 | L1556 T1557 | E1523-L1556 WeakPolarHBondContact O-CA 3.49Å; E1523-T1557 HydrophobicContact CB-CG2 4.12Å; E1523-T1557 PolarHBondContact N-OG1 2.95Å; E1523-T1557 PolarHBondContact O-N 3.38Å; E1523-T1557 PolarHBondContact O-OG1 3.01Å | ||
| 1524 | P | 87.7 | Confident | 82.2 | Confident | 67 Ų | 67 | 65.9 Ų | 65.9 | 44% | 0.435 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 132.9 | 173.2 | 30.2 | -32.7 | 0 | 0 | 0 | 111.2 | R1554 V1555 L1556 | P1524-R1554 HydrophobicContact CB-CG 4.23Å; P1524-V1555 CarbonylContact C-O 3.58Å; P1524-V1555 WeakPolarHBondContact CA-O 3.37Å; P1524-L1556 HydrophobicContact CB-CD2 4.38Å |
| 1525 | V | 89.9 | Confident | 79.9 | Confident | 12 Ų | 12 | 70 Ų | 70 | 7% | 0.073 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 129.7 | 172.5 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | L1527 V1555 T1557 V1616 | V1525-L1527 HydrophobicContact CG1-CD2 4.06Å; V1525-V1555 HydrophobicContact CB-CG2 4.24Å; V1525-V1555 PolarHBondContact N-O 3.39Å; V1525-V1555 PolarHBondContact O-N 3.18Å; V1525-T1557 HydrophobicContact CG2-CG2 3.5Å; V1525-T1557 VanDerWaalsContact CG2-CG2 3.5Å; V1525-V1616 HydrophobicContact CB-CG1 4.43Å; V1525-V1616 HydrophobicContact CG2-CG1 4.22Å |
| 1526 | L | 92.6 | Very high | 77.3 | Confident | 63 Ų | 63 | 73.5 Ų | 73.5 | 33% | 0.33 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 118 | 174.7 | -58.5 | 174.3 | 0 | 0 | 0 | 108.9 | I1552 R1554 N1623 N1624 | L1526-I1552 HydrophobicContact CB-CG2 3.91Å; L1526-I1552 HydrophobicContact CD1-CG2 4.48Å; L1526-I1552 HydrophobicContact CD2-CG2 4.11Å; L1526-I1552 HydrophobicContact CG-CG2 4.39Å; L1526-R1554 HydrophobicContact CD2-CB 3.92Å; L1526-R1554 HydrophobicContact CD2-CG 4.25Å; L1526-N1623 WeakPolarHBondContact CA-OD1 3.49Å; L1526-N1623 VanDerWaalsContact CB-OD1 3.29Å; L1526-N1623 WeakPolarHBondContact CB-OD1 3.27Å; L1526-N1623 PolarHBondContact N-OD1 3.25Å; L1526-N1623 PolarHBondContact O-OD1 2.96Å; L1526-N1624 VanDerWaalsContact O-CA 3.23Å; L1526-N1624 WeakPolarHBondContact O-CA 3.33Å; L1526-N1624 PolarHBondContact O-N 2.82Å |
| 1527 | L | 92.5 | Very high | 74.4 | Confident | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 137.5 | 176.4 | -58.8 | 176 | 0 | 0 | 0 | 109.6 | V1525 V1529 I1552 C1553 V1555 V1564 L1621 A1625 I1627 | V1525-L1527 HydrophobicContact CG1-CD2 4.06Å; L1527-V1529 HydrophobicContact CB-CG2 4.26Å; L1527-I1552 CarbonylContact O-C 3.47Å; L1527-I1552 WeakPolarHBondContact O-CA 3.39Å; L1527-C1553 PolarHBondContact N-O 2.72Å; L1527-C1553 PolarHBondContact O-N 3.21Å; L1527-V1555 HydrophobicContact CD1-CB 4.47Å; L1527-V1555 HydrophobicContact CD1-CG1 4.08Å; L1527-V1555 HydrophobicContact CD1-CG2 3.55Å; L1527-V1555 HydrophobicContact CG-CG2 3.84Å; L1527-V1564 HydrophobicContact CD1-CG1 3.98Å; L1527-L1621 HydrophobicContact CD2-CB 4.34Å; L1527-L1621 HydrophobicContact CD2-CD1 4.15Å; L1527-A1625 HydrophobicContact CD2-CB 3.96Å; L1527-I1627 HydrophobicContact CB-CG1 4.05Å; L1527-I1627 HydrophobicContact CD1-CG1 4.1Å; L1527-I1627 HydrophobicContact CD2-CG1 4.13Å; L1527-I1627 HydrophobicContact CG-CG1 4.31Å |
| 1528 | R | 92 | Very high | 72.1 | Confident | 110 Ų | 110 | 79.9 Ų | 79.9 | 42% | 0.415 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 104.7 | 171.7 | -71.7 | -175.8 | 75.1 | -177.4 | 4 | 108.1 | P1550 N1624 A1625 L1626 I1627 | R1528-P1550 HydrophobicContact CB-CB 3.96Å; R1528-P1550 HydrophobicContact CB-CG 4.22Å; R1528-P1550 VanDerWaalsContact NH2-CG 3.29Å; R1528-N1624 HydrophobicContact CG-CB 4.25Å; R1528-A1625 PolarHBondContact N-O 3.3Å; R1528-L1626 HydrophobicContact CB-CD1 4.16Å; R1528-L1626 CarbonylContact O-C 3.47Å; R1528-L1626 VanDerWaalsContact O-CA 3.32Å; R1528-L1626 WeakPolarHBondContact O-CA 3.21Å; R1528-I1627 PolarHBondContact O-N 3.03Å |
| 1529 | V | 90.7 | Very high | 69.9 | Low | 0 Ų | 0 | 82.7 Ų | 82.7 | 0% | 0 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 123.2 | -172.2 | -173.8 | 0 | 0 | 0 | 0 | 110.9 | L1527 P1550 V1551 C1553 V1568 L1572 I1627 V1629 | L1527-V1529 HydrophobicContact CB-CG2 4.26Å; V1529-P1550 CarbonylContact O-C 3.56Å; V1529-P1550 VanDerWaalsContact O-CA 3.23Å; V1529-P1550 WeakPolarHBondContact O-CA 3.35Å; V1529-V1551 PolarHBondContact N-O 3.1Å; V1529-V1551 PolarHBondContact O-N 3.47Å; V1529-C1553 HydrophobicContact CG2-CB 3.95Å; V1529-C1553 VanDerWaalsContact CG2-SG 3.58Å; V1529-V1568 HydrophobicContact CG1-CG1 3.73Å; V1529-V1568 HydrophobicContact CG2-CG1 4.35Å; V1529-V1568 HydrophobicContact CG2-CG2 4.03Å; V1529-L1572 HydrophobicContact CB-CD2 4.5Å; V1529-L1572 HydrophobicContact CG1-CD1 3.94Å; V1529-L1572 HydrophobicContact CG1-CD2 4.13Å; V1529-L1572 HydrophobicContact CG1-CG 4.23Å; V1529-I1627 CarbonylContact C-O 3.49Å; V1529-I1627 VanDerWaalsContact CA-O 3.22Å; V1529-I1627 WeakPolarHBondContact CA-O 3.43Å; V1529-I1627 HydrophobicContact CG2-CB 4.41Å; V1529-V1629 HydrophobicContact CG1-CG2 3.47Å; V1529-V1629 VanDerWaalsContact CG1-CG2 3.47Å |
| 1530 | L | 86.8 | Confident | 67.9 | Low | 48 Ų | 48 | 81.4 Ų | 81.4 | 25% | 0.251 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 128.2 | 168.7 | -72.7 | 170.4 | 0 | 0 | 0 | 109.8 | P1550 L1626 I1627 V1628 V1629 | L1530-P1550 HydrophobicContact CD2-CB 3.86Å; L1530-P1550 HydrophobicContact CD2-CG 4.45Å; L1530-P1550 HydrophobicContact CG-CB 4.13Å; L1530-L1626 HydrophobicContact CD1-CD1 3.77Å; L1530-L1626 HydrophobicContact CD1-CD2 4.1Å; L1530-L1626 HydrophobicContact CD1-CG 4.16Å; L1530-L1626 HydrophobicContact CG-CD1 3.89Å; L1530-I1627 PolarHBondContact N-O 3.11Å; L1530-V1628 HydrophobicContact CB-CG2 4.38Å; L1530-V1628 HydrophobicContact CD1-CG2 4.16Å; L1530-V1629 PolarHBondContact O-N 2.86Å |
| 1531 | P | 81.6 | Confident | 65.4 | Low | 32 Ų | 32 | 85.6 Ų | 85.6 | 21% | 0.208 | 52% | 0.519 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 159.2 | 172.8 | 29.5 | -34.8 | 0 | 0 | 0 | 111.2 | Q1533 | P1531-Q1533 PolarHBondContact O-N 2.86Š|
| 1532 | P | 73.3 | Confident | 63 | Low | 36 Ų | 36 | 84.1 Ų | 84.1 | 23% | 0.234 | 52% | 0.52 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 125.9 | 179.9 | 23.4 | -30 | 0 | 0 | 0 | 111.4 | V1629 M1631 | P1532-V1629 WeakPolarHBondContact CA-O 3.47Å; P1532-V1629 WeakPolarHBondContact CB-O 3.34Å; P1532-M1631 HydrophobicContact CB-CG 3.75Å; P1532-M1631 HydrophobicContact CG-CE 3.95Å; P1532-M1631 HydrophobicContact CG-CG 3.79Å; P1532-M1631 HydrophobicContact CG-SD 4.44Å |
| 1533 | Q | 59.8 | Low | 60.2 | Low | 180 Ų | 180 | 86.8 Ų | 86.8 | 84% | 0.841 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -73.5 | 125.6 | 170.1 | -72.7 | -175.5 | 1.7 | 0 | 0 | 109.2 | P1531 D1535 | P1531-Q1533 PolarHBondContact O-N 2.86Å; Q1533-D1535 PolarHBondContact O-N 3.14Å; Q1533-D1535 VanDerWaalsContact O-N 3.13Å |
| 1534 | G | 49.1 | Very low | 57.6 | Low | 84 Ų | 84 | 84.9 Ų | 84.9 | 87% | 0.866 | 55% | 0.548 | S | S | * | . | trans | -70.5 | 104.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1535 | D | 38.8 | Very low | 54.7 | Low | 170 Ų | 170 | 87.1 Ų | 87.1 | 91% | 0.909 | 57% | 0.565 | S | S | * | * | trans | -74.8 | 123.1 | 165 | -90.4 | -22.8 | 0 | 0 | 0 | 109.9 | Q1533 | Q1533-D1535 PolarHBondContact O-N 3.14Å; Q1533-D1535 VanDerWaalsContact O-N 3.13Å | ||
| 1536 | G | 32.5 | Very low | 51.8 | Low | 77 Ų | 77 | 92.6 Ų | 92.6 | 79% | 0.794 | 60% | 0.603 | S | S | * | * | trans | 115.4 | 65 | 155.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1537 | S | 26.4 | Very low | 49.2 | Very low | 106 Ų | 106 | 100.8 Ų | 100.8 | 74% | 0.741 | 63% | 0.629 | S | S | * | * | trans | -161 | 102.8 | 145.8 | 164.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1538 | P | 30.6 | Very low | 47.5 | Very low | 125 Ų | 125 | 107 Ų | 107 | 81% | 0.812 | 66% | 0.658 | S | S | * | * | trans | -99.4 | 89.1 | -175.4 | 35.5 | -28.2 | 0 | 0 | 0 | 112.3 | ||||
| 1539 | T | 30.3 | Very low | 46.1 | Very low | 127 Ų | 127 | 108.3 Ų | 108.3 | 78% | 0.779 | 67% | 0.673 | S | S | * | * | trans | -162.2 | 89.5 | 160 | 49.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1540 | S | 32.5 | Very low | 45.6 | Very low | 119 Ų | 119 | 109.5 Ų | 109.5 | 83% | 0.832 | 68% | 0.681 | S | S | * | * | trans | 172.9 | 102.9 | 138.4 | 55.7 | 0 | 0 | 0 | 0 | 108.7 | S1542 | S1540-S1542 PolarHBondContact O-N 3.04Š| ||
| 1541 | S | 29.6 | Very low | 45.5 | Very low | 118 Ų | 118 | 109.9 Ų | 109.9 | 83% | 0.825 | 69% | 0.685 | S | S | * | * | trans | -56.9 | 115.6 | 168.5 | 48.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1542 | S | 31.4 | Very low | 45.8 | Very low | 104 Ų | 104 | 113.1 Ų | 113.1 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | trans | 172.5 | 119.2 | 133.1 | 51.9 | 0 | 0 | 0 | 0 | 110.9 | S1540 | S1540-S1542 PolarHBondContact O-N 3.04Š| ||
| 1543 | S | 30.2 | Very low | 46.5 | Very low | 106 Ų | 106 | 111.5 Ų | 111.5 | 74% | 0.741 | 69% | 0.689 | S | S | * | * | trans | 65.9 | 121 | 145.7 | 55 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1544 | S | 30.8 | Very low | 47.9 | Very low | 98 Ų | 98 | 109.6 Ų | 109.6 | 69% | 0.685 | 67% | 0.674 | S | S | * | * | trans | 71.7 | 85.5 | 146.2 | 58.7 | 0 | 0 | 0 | 0 | 119.5 | C1546 | S1544-C1546 PolarHBondContact O-N 2.81Š| ||
| 1545 | S | 26.5 | Very low | 50 | Low | 115 Ų | 115 | 105.6 Ų | 105.6 | 80% | 0.804 | 63% | 0.633 | S | S | * | * | 31.7 | 81 | 125.7 | 66.3 | 0 | 0 | 0 | 0 | 118.5 | R1547 | S1545-R1547 PolarHBondContact O-N 3.46Š| |||
| 1546 | C | 29.8 | Very low | 52.6 | Low | 127 Ų | 127 | 97.6 Ų | 97.6 | 86% | 0.858 | 59% | 0.59 | S | S | * | * | trans | -89.3 | 88.1 | 153.5 | -86.6 | 0 | 0 | 0 | 0 | 109 | S1544 Q1548 | S1544-C1546 PolarHBondContact O-N 2.81Å; C1546-Q1548 PolarHBondContact O-N 3.4Å; C1546-Q1548 VanDerWaalsContact O-N 3.13Å | ||
| 1547 | R | 38.2 | Very low | 55.4 | Low | 234 Ų | 234 | 95 Ų | 95 | 88% | 0.883 | 56% | 0.559 | S | S | * | * | trans | -62.8 | 107.5 | 160.1 | -83.2 | 179.3 | 172.3 | 168.8 | -2.1 | 106.7 | S1545 D1549 | S1545-R1547 PolarHBondContact O-N 3.46Å; R1547-D1549 PolarHBondContact O-N 3.05Å | ||
| 1548 | Q | 56.4 | Low | 58.6 | Low | 132 Ų | 132 | 90.3 Ų | 90.3 | 62% | 0.617 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 124.8 | 170.6 | -82.3 | 177.9 | -14.1 | 0 | 0 | 108.8 | C1546 | C1546-Q1548 PolarHBondContact O-N 3.4Å; C1546-Q1548 VanDerWaalsContact O-N 3.13Å |
| 1549 | D | 63.6 | Low | 61.6 | Low | 137 Ų | 137 | 84.4 Ų | 84.4 | 73% | 0.733 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -66 | 136.9 | 177.2 | -74.9 | -39.9 | 0 | 0 | 0 | 110.2 | R1547 | R1547-D1549 PolarHBondContact O-N 3.05Š|
| 1550 | P | 79 | Confident | 64.5 | Low | 24 Ų | 24 | 78.4 Ų | 78.4 | 16% | 0.156 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 137.4 | 179.4 | 25.4 | -33.3 | 0 | 0 | 0 | 111.8 | R1528 V1529 L1530 L1626 | R1528-P1550 HydrophobicContact CB-CB 3.96Å; R1528-P1550 HydrophobicContact CB-CG 4.22Å; R1528-P1550 VanDerWaalsContact NH2-CG 3.29Å; V1529-P1550 CarbonylContact O-C 3.56Å; V1529-P1550 VanDerWaalsContact O-CA 3.23Å; V1529-P1550 WeakPolarHBondContact O-CA 3.35Å; L1530-P1550 HydrophobicContact CD2-CB 3.86Å; L1530-P1550 HydrophobicContact CD2-CG 4.45Å; L1530-P1550 HydrophobicContact CG-CB 4.13Å; P1550-L1626 HydrophobicContact CB-CD1 4.27Å |
| 1551 | V | 84.4 | Confident | 67.3 | Low | 57 Ų | 57 | 72.7 Ų | 72.7 | 35% | 0.345 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 134.6 | 176.9 | -174.9 | 0 | 0 | 0 | 0 | 109.7 | V1529 C1571 L1572 | V1529-V1551 PolarHBondContact N-O 3.1Å; V1529-V1551 PolarHBondContact O-N 3.47Å; V1551-C1571 VanDerWaalsContact CG1-SG 3.57Å; V1551-L1572 HydrophobicContact CB-CD2 3.92Å; V1551-L1572 HydrophobicContact CG2-CD2 3.75Å |
| 1552 | I | 88.3 | Confident | 70.2 | Confident | 100 Ų | 100 | 71.8 Ų | 71.8 | 51% | 0.513 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 117.8 | 179.8 | -58.1 | 177.3 | 0 | 0 | 0 | 109.5 | L1526 L1527 C1571 | L1526-I1552 HydrophobicContact CB-CG2 3.91Å; L1526-I1552 HydrophobicContact CD1-CG2 4.48Å; L1526-I1552 HydrophobicContact CD2-CG2 4.11Å; L1526-I1552 HydrophobicContact CG-CG2 4.39Å; L1527-I1552 CarbonylContact O-C 3.47Å; L1527-I1552 WeakPolarHBondContact O-CA 3.39Å; I1552-C1571 PolarHBondContact O-SG 2.68Å |
| 1553 | C | 88.5 | Confident | 73.1 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.007 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 125.8 | -179.5 | -54.7 | 0 | 0 | 0 | 0 | 110.8 | L1527 V1529 C1571 | L1527-C1553 PolarHBondContact N-O 2.72Å; L1527-C1553 PolarHBondContact O-N 3.21Å; V1529-C1553 HydrophobicContact CG2-CB 3.95Å; V1529-C1553 VanDerWaalsContact CG2-SG 3.58Å; C1553-C1571 WeakPolarHBondContact CA-SG 3.23Å; C1553-C1571 HydrophobicContact CB-CB 3.72Å; C1553-C1571 WeakPolarHBondContact CB-SG 3.32Å; C1553-C1571 WeakPolarHBondContact SG-CB 3.23Å; C1553-C1571 CovalentContact SG-SG 2.04Å; C1553-C1571 PolarHBondContact SG-SG 3.15Å |
| 1554 | R | 90 | Very high | 76.1 | Confident | 140 Ų | 140 | 63 Ų | 63 | 53% | 0.528 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 122.4 | 178.2 | -179.5 | 178.3 | 172.4 | 159.7 | -0.1 | 110.1 | P1524 L1526 | P1524-R1554 HydrophobicContact CB-CG 4.23Å; L1526-R1554 HydrophobicContact CD2-CB 3.92Å; L1526-R1554 HydrophobicContact CD2-CG 4.25Å |
| 1555 | V | 92.3 | Very high | 79 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 169.1 | 171.4 | -59 | 0 | 0 | 0 | 0 | 109.4 | P1524 V1525 L1527 D1559 V1564 K1567 V1616 | P1524-V1555 CarbonylContact C-O 3.58Å; P1524-V1555 WeakPolarHBondContact CA-O 3.37Å; V1525-V1555 HydrophobicContact CB-CG2 4.24Å; V1525-V1555 PolarHBondContact N-O 3.39Å; V1525-V1555 PolarHBondContact O-N 3.18Å; L1527-V1555 HydrophobicContact CD1-CB 4.47Å; L1527-V1555 HydrophobicContact CD1-CG1 4.08Å; L1527-V1555 HydrophobicContact CD1-CG2 3.55Å; L1527-V1555 HydrophobicContact CG-CG2 3.84Å; V1555-D1559 WeakPolarHBondContact CA-OD2 3.4Å; V1555-D1559 WeakPolarHBondContact CB-OD2 3.19Å; V1555-V1564 HydrophobicContact CG1-CG1 4.2Å; V1555-V1564 HydrophobicContact CG1-CG2 4.47Å; V1555-K1567 HydrophobicContact CG1-CB 4.11Å; V1555-K1567 HydrophobicContact CG1-CD 4.16Å; V1555-V1616 HydrophobicContact CG2-CG1 4.44Å; V1555-V1616 HydrophobicContact CG2-CG2 3.94Å |
| 1556 | L | 92.6 | Very high | 82 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 148.5 | 174.4 | -55.2 | -178.9 | 0 | 0 | 0 | 109.8 | G1497 Y1522 E1523 P1524 C1558 D1559 V1616 | G1497-L1556 WeakPolarHBondContact O-CD1 3.44Å; Y1522-L1556 HydrophobicContact CD2-CD1 4Å; Y1522-L1556 HydrophobicContact CD2-CD2 3.88Å; Y1522-L1556 HydrophobicContact CD2-CG 4.4Å; Y1522-L1556 HydrophobicContact CE2-CD1 4.43Å; Y1522-L1556 HydrophobicContact CE2-CD2 4.35Å; Y1522-L1556 HydrophobicContact CG-CD1 4.49Å; E1523-L1556 WeakPolarHBondContact O-CA 3.49Å; P1524-L1556 HydrophobicContact CB-CD2 4.38Å; L1556-C1558 PolarHBondContact O-N 3.18Å; L1556-C1558 VanDerWaalsContact O-N 3.14Å; L1556-D1559 PolarHBondContact N-OD2 3Å; L1556-D1559 WeakPolarHBondContact O-CB 3.34Å; L1556-D1559 PolarHBondContact O-N 3.07Å; L1556-V1616 WeakPolarHBondContact O-CB 3.47Å; L1556-V1616 WeakPolarHBondContact O-CG2 3.29Å |
| 1557 | T | 93 | Very high | 84.9 | Confident | 22 Ų | 22 | 50.6 Ų | 50.6 | 14% | 0.135 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -30.9 | 173.1 | 48.9 | 0 | 0 | 0 | 0 | 112.3 | E1523 V1525 V1616 K1617 | E1523-T1557 HydrophobicContact CB-CG2 4.12Å; E1523-T1557 PolarHBondContact N-OG1 2.95Å; E1523-T1557 PolarHBondContact O-N 3.38Å; E1523-T1557 PolarHBondContact O-OG1 3.01Å; V1525-T1557 HydrophobicContact CG2-CG2 3.5Å; V1525-T1557 VanDerWaalsContact CG2-CG2 3.5Å; T1557-V1616 PolarHBondContact O-N 3.15Å; T1557-K1617 VanDerWaalsContact O-CB 3.24Å; T1557-K1617 WeakPolarHBondContact O-CB 3.2Å; T1557-K1617 PolarHBondContact O-N 3.34Å |
| 1558 | C | 92.7 | Very high | 87.4 | Confident | 9 Ų | 9 | 39.5 Ų | 39.5 | 6% | 0.061 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 4.7 | 177.5 | 70.7 | 0 | 0 | 0 | 0 | 114.4 | V1520 Y1522 L1556 H1674 L1675 | V1520-C1558 HydrophobicContact CG1-CB 4.16Å; Y1522-C1558 VanDerWaalsContact CB-SG 3.55Å; L1556-C1558 PolarHBondContact O-N 3.18Å; L1556-C1558 VanDerWaalsContact O-N 3.14Å; C1558-H1674 PolarHBondContact O-CE1 3.25Å; C1558-H1674 PolarHBondContact O-NE2 3.41Å; C1558-L1675 HydrophobicContact CB-CD2 4.04Å |
| 1559 | D | 92.9 | Very high | 89 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | trans | -74.4 | 133.8 | 177.2 | -73.8 | -22.9 | 0 | 0 | 0 | 110.3 | V1555 L1556 Q1563 V1564 K1567 T1615 V1616 | V1555-D1559 WeakPolarHBondContact CA-OD2 3.4Å; V1555-D1559 WeakPolarHBondContact CB-OD2 3.19Å; L1556-D1559 PolarHBondContact N-OD2 3Å; L1556-D1559 WeakPolarHBondContact O-CB 3.34Å; L1556-D1559 PolarHBondContact O-N 3.07Å; D1559-Q1563 HydrophobicContact CB-CB 4.19Å; D1559-V1564 HydrophobicContact CB-CG2 3.9Å; D1559-K1567 IonicContact OD1-NZ 3.82Å; D1559-K1567 PolarHBondContact OD1-NZ 2.91Å; D1559-K1567 WeakPolarHBondContact OD2-CD 3.23Å; D1559-K1567 WeakPolarHBondContact OD2-CE 3.23Å; D1559-K1567 IonicContact OD2-NZ 3.51Å; D1559-K1567 PolarHBondContact OD2-NZ 3.24Å; D1559-T1615 CarbonylContact O-C 3.56Å; D1559-T1615 WeakPolarHBondContact O-CA 3.44Å; D1559-V1616 HydrophobicContact CB-CG2 4.37Å; D1559-V1616 PolarHBondContact O-N 2.88Å | ||
| 1560 | A | 92 | Very high | 90 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | B | Isolated β-bridge | trans | -66 | 153 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | A1501 R1562 Q1563 V1564 L1613 N1614 H1674 | A1501-A1560 HydrophobicContact CB-CB 3.85Å; A1560-R1562 PolarHBondContact O-N 2.67Å; A1560-R1562 VanDerWaalsContact O-N 3.1Å; A1560-Q1563 HydrophobicContact CB-CG 4.39Å; A1560-Q1563 CarbonylContact O-C 3.56Å; A1560-Q1563 WeakPolarHBondContact O-CA 3.38Å; A1560-Q1563 WeakPolarHBondContact O-CB 3.49Å; A1560-Q1563 PolarHBondContact O-N 3.32Å; A1560-V1564 WeakPolarHBondContact O-CG2 3.4Å; A1560-V1564 PolarHBondContact O-N 3.4Å; A1560-L1613 HydrophobicContact CB-CB 4.23Å; A1560-L1613 HydrophobicContact CB-CD1 4.2Å; A1560-N1614 WeakPolarHBondContact CA-O 3.4Å; A1560-H1674 PolarHBondContact N-NE2 2.83Å |
| 1561 | I | 92.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -56.7 | -32 | -178.4 | -58 | -49.5 | 0 | 0 | 0 | 112.7 | V1564 K1565 L1600 E1602 N1614 Y1619 | I1561-V1564 WeakPolarHBondContact O-CB 3.29Å; I1561-V1564 PolarHBondContact O-N 3.31Å; I1561-K1565 WeakPolarHBondContact O-CG 3.42Å; I1561-K1565 PolarHBondContact O-N 3.35Å; I1561-L1600 HydrophobicContact CD1-CB 4.29Å; I1561-L1600 HydrophobicContact CG2-CB 4.05Å; I1561-E1602 PolarHBondContact N-OE1 3.34Å; I1561-N1614 HydrophobicContact CG1-CB 4.3Å; I1561-N1614 PolarHBondContact N-O 2.82Å; I1561-N1614 VanDerWaalsContact N-O 3.14Å; I1561-Y1619 HydrophobicContact CD1-CD2 3.78Å; I1561-Y1619 HydrophobicContact CD1-CE2 3.75Å; I1561-Y1619 HydrophobicContact CG1-CD2 4.37Å; I1561-Y1619 HydrophobicContact CG1-CE2 3.83Å |
| 1562 | R | 90.1 | Very high | 90.4 | Very high | 98 Ų | 98 | 27.6 Ų | 27.6 | 37% | 0.37 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -65.1 | -40.4 | 173.2 | -166.9 | 175.2 | -171.6 | -172.8 | 0.9 | 112.5 | A1560 K1565 A1566 V1584 E1602 | A1560-R1562 PolarHBondContact O-N 2.67Å; A1560-R1562 VanDerWaalsContact O-N 3.1Å; R1562-K1565 PolarHBondContact O-N 2.79Å; R1562-A1566 PolarHBondContact O-N 3.39Å; R1562-V1584 HydrophobicContact CG-CG1 3.68Å; R1562-E1602 WeakPolarHBondContact CA-OE2 3.49Å; R1562-E1602 WeakPolarHBondContact CB-OE1 3.49Å; R1562-E1602 WeakPolarHBondContact CB-OE2 3.46Å; R1562-E1602 PolarHBondContact N-OE1 3.3Å; R1562-E1602 PolarHBondContact N-OE2 3.29Å |
| 1563 | Q | 91.9 | Very high | 90.2 | Very high | 26 Ų | 26 | 25.6 Ų | 25.6 | 12% | 0.121 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -68.3 | -37.9 | 174.6 | -65.5 | 174.2 | -55.8 | 0 | 0 | 110.6 | I1499 A1501 D1559 A1560 A1566 K1567 H1674 | I1499-Q1563 PolarHBondContact O-NE2 2.91Å; A1501-Q1563 HydrophobicContact CB-CG 4.02Å; D1559-Q1563 HydrophobicContact CB-CB 4.19Å; A1560-Q1563 HydrophobicContact CB-CG 4.39Å; A1560-Q1563 CarbonylContact O-C 3.56Å; A1560-Q1563 WeakPolarHBondContact O-CA 3.38Å; A1560-Q1563 WeakPolarHBondContact O-CB 3.49Å; A1560-Q1563 PolarHBondContact O-N 3.32Å; Q1563-A1566 PolarHBondContact O-N 2.99Å; Q1563-K1567 WeakPolarHBondContact O-CB 3.49Å; Q1563-K1567 WeakPolarHBondContact O-CG 3.18Å; Q1563-K1567 PolarHBondContact O-N 2.96Å; Q1563-H1674 PolarHBondContact OE1-CE1 3.38Å |
| 1564 | V | 92.7 | Very high | 89.4 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.5 | -48.2 | 172.1 | 178.2 | 0 | 0 | 0 | 0 | 110.3 | L1527 V1555 D1559 A1560 I1561 A1566 K1567 V1568 L1589 V1616 | L1527-V1564 HydrophobicContact CD1-CG1 3.98Å; V1555-V1564 HydrophobicContact CG1-CG1 4.2Å; V1555-V1564 HydrophobicContact CG1-CG2 4.47Å; D1559-V1564 HydrophobicContact CB-CG2 3.9Å; A1560-V1564 WeakPolarHBondContact O-CG2 3.4Å; A1560-V1564 PolarHBondContact O-N 3.4Å; I1561-V1564 WeakPolarHBondContact O-CB 3.29Å; I1561-V1564 PolarHBondContact O-N 3.31Å; V1564-A1566 VanDerWaalsContact C-N 3.34Å; V1564-A1566 PolarHBondContact O-N 3.33Å; V1564-K1567 PolarHBondContact O-N 2.74Å; V1564-V1568 HydrophobicContact CG1-CG2 4.24Å; V1564-V1568 WeakPolarHBondContact O-CB 3.42Å; V1564-V1568 WeakPolarHBondContact O-CG2 3.47Å; V1564-V1568 PolarHBondContact O-N 3.07Å; V1564-L1589 HydrophobicContact CB-CD1 4.33Å; V1564-L1589 HydrophobicContact CG1-CD1 3.6Å; V1564-V1616 HydrophobicContact CG2-CG2 3.3Å |
| 1565 | K | 92.3 | Very high | 88.1 | Confident | 15 Ų | 15 | 29 Ų | 29 | 7% | 0.065 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57 | -45.6 | 175 | -74.4 | 179.3 | 179.6 | -161.2 | 0 | 111.8 | I1561 R1562 V1568 L1569 V1584 I1587 D1588 L1589 | I1561-K1565 WeakPolarHBondContact O-CG 3.42Å; I1561-K1565 PolarHBondContact O-N 3.35Å; R1562-K1565 PolarHBondContact O-N 2.79Å; K1565-V1568 PolarHBondContact O-N 3.08Å; K1565-L1569 WeakPolarHBondContact O-CG 3.49Å; K1565-L1569 PolarHBondContact O-N 2.76Å; K1565-V1584 HydrophobicContact CB-CG1 3.7Å; K1565-V1584 HydrophobicContact CD-CG1 4.08Å; K1565-I1587 HydrophobicContact CB-CD1 4.17Å; K1565-I1587 WeakPolarHBondContact CE-O 3.09Å; K1565-I1587 HydrophobicContact CG-CD1 4.29Å; K1565-I1587 HydrophobicContact CG-CG1 4.5Å; K1565-I1587 PolarHBondContact NZ-O 2.78Å; K1565-D1588 IonicContact NZ-OD1 3.19Å; K1565-D1588 PolarHBondContact NZ-OD1 3.01Å; K1565-L1589 HydrophobicContact CB-CD1 4.44Å; K1565-L1589 HydrophobicContact CG-CD1 3.68Å; K1565-L1589 HydrophobicContact CG-CG 3.81Å |
| 1566 | A | 89.7 | Confident | 87.2 | Confident | 37 Ų | 37 | 31.9 Ų | 31.9 | 31% | 0.306 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62.3 | -47.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R1562 Q1563 V1564 V1568 L1569 D1570 V1584 | R1562-A1566 PolarHBondContact O-N 3.39Å; Q1563-A1566 PolarHBondContact O-N 2.99Å; V1564-A1566 VanDerWaalsContact C-N 3.34Å; V1564-A1566 PolarHBondContact O-N 3.33Å; A1566-V1568 VanDerWaalsContact C-N 3.31Å; A1566-V1568 PolarHBondContact O-N 3.11Å; A1566-L1569 PolarHBondContact O-N 2.79Å; A1566-D1570 WeakPolarHBondContact O-CB 3.44Å; A1566-D1570 PolarHBondContact O-N 2.9Å; A1566-V1584 HydrophobicContact CB-CG2 3.95Å |
| 1567 | K | 90.7 | Very high | 86.7 | Confident | 27 Ų | 27 | 33.2 Ų | 33.2 | 12% | 0.117 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.4 | -34.8 | 176.1 | -72.2 | -178.4 | -178 | -178.3 | 0 | 112.4 | E1495 V1555 D1559 Q1563 V1564 C1571 | E1495-K1567 PolarHBondContact O-NZ 3.1Å; V1555-K1567 HydrophobicContact CG1-CB 4.11Å; V1555-K1567 HydrophobicContact CG1-CD 4.16Å; D1559-K1567 IonicContact OD1-NZ 3.82Å; D1559-K1567 PolarHBondContact OD1-NZ 2.91Å; D1559-K1567 WeakPolarHBondContact OD2-CD 3.23Å; D1559-K1567 WeakPolarHBondContact OD2-CE 3.23Å; D1559-K1567 IonicContact OD2-NZ 3.51Å; D1559-K1567 PolarHBondContact OD2-NZ 3.24Å; Q1563-K1567 WeakPolarHBondContact O-CB 3.49Å; Q1563-K1567 WeakPolarHBondContact O-CG 3.18Å; Q1563-K1567 PolarHBondContact O-N 2.96Å; V1564-K1567 PolarHBondContact O-N 2.74Å; K1567-C1571 WeakPolarHBondContact O-CB 3.42Å; K1567-C1571 PolarHBondContact O-N 3.18Å |
| 1568 | V | 90.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.6 | -44.1 | 174.4 | 165.4 | 0 | 0 | 0 | 0 | 111.1 | V1529 V1564 K1565 A1566 C1571 L1572 L1589 V1629 | V1529-V1568 HydrophobicContact CG1-CG1 3.73Å; V1529-V1568 HydrophobicContact CG2-CG1 4.35Å; V1529-V1568 HydrophobicContact CG2-CG2 4.03Å; V1564-V1568 HydrophobicContact CG1-CG2 4.24Å; V1564-V1568 WeakPolarHBondContact O-CB 3.42Å; V1564-V1568 WeakPolarHBondContact O-CG2 3.47Å; V1564-V1568 PolarHBondContact O-N 3.07Å; K1565-V1568 PolarHBondContact O-N 3.08Å; A1566-V1568 VanDerWaalsContact C-N 3.31Å; A1566-V1568 PolarHBondContact O-N 3.11Å; V1568-C1571 WeakPolarHBondContact O-CB 3.33Å; V1568-C1571 PolarHBondContact O-N 2.69Å; V1568-L1572 HydrophobicContact CG1-CD1 3.86Å; V1568-L1572 HydrophobicContact CG1-CG 4.29Å; V1568-L1572 WeakPolarHBondContact O-CB 3.42Å; V1568-L1572 WeakPolarHBondContact O-CG 3.47Å; V1568-L1572 PolarHBondContact O-N 3.37Å; V1568-L1589 HydrophobicContact CG1-CD2 4.12Å; V1568-L1589 HydrophobicContact CG2-CD1 4.32Å; V1568-V1629 HydrophobicContact CG1-CG2 3.82Å |
| 1569 | L | 90.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.5 | -47.7 | 174.9 | -71.5 | 169.7 | 0 | 0 | 0 | 111.1 | K1565 A1566 C1571 L1572 Y1573 P1582 V1584 I1587 | K1565-L1569 WeakPolarHBondContact O-CG 3.49Å; K1565-L1569 PolarHBondContact O-N 2.76Å; A1566-L1569 PolarHBondContact O-N 2.79Å; L1569-C1571 PolarHBondContact O-N 3.12Å; L1569-C1571 VanDerWaalsContact O-N 3.17Å; L1569-L1572 PolarHBondContact O-N 2.94Å; L1569-Y1573 HydrophobicContact CB-CD2 4.42Å; L1569-Y1573 HydrophobicContact CD2-CD2 3.83Å; L1569-Y1573 HydrophobicContact CD2-CE2 3.63Å; L1569-Y1573 WeakPolarHBondContact O-CA 3.44Å; L1569-Y1573 VanDerWaalsContact O-CB 3.27Å; L1569-Y1573 WeakPolarHBondContact O-CB 3.3Å; L1569-Y1573 WeakPolarHBondContact O-CD2 3.35Å; L1569-Y1573 PolarHBondContact O-N 2.95Å; L1569-P1582 VanDerWaalsContact CD1-O 3.27Å; L1569-P1582 WeakPolarHBondContact CD1-O 3.48Å; L1569-P1582 HydrophobicContact CD2-CB 4.27Å; L1569-P1582 HydrophobicContact CD2-CG 4.32Å; L1569-V1584 HydrophobicContact CD1-CB 4.39Å; L1569-V1584 HydrophobicContact CD1-CG2 3.8Å; L1569-I1587 HydrophobicContact CD1-CD1 3.92Å; L1569-I1587 HydrophobicContact CD1-CG1 4.25Å; L1569-I1587 HydrophobicContact CD2-CD1 3.71Å; L1569-I1587 HydrophobicContact CD2-CG1 4.36Å; L1569-I1587 HydrophobicContact CD2-CG2 4.34Å; L1569-I1587 HydrophobicContact CG-CD1 3.61Å; L1569-I1587 HydrophobicContact CG-CG1 4.41Å |
| 1570 | D | 85 | Confident | 85.3 | Confident | 36 Ų | 36 | 43.1 Ų | 43.1 | 19% | 0.193 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.5 | -28.6 | 175.6 | -95.7 | 36.1 | 0 | 0 | 0 | 112.9 | K1491 A1566 R1574 | K1491-D1570 WeakPolarHBondContact CE-OD2 3.34Å; K1491-D1570 IonicContact NZ-OD1 2.78Å; K1491-D1570 IonicContact NZ-OD2 3.4Å; K1491-D1570 PolarHBondContact NZ-OD2 2.7Å; A1566-D1570 WeakPolarHBondContact O-CB 3.44Å; A1566-D1570 PolarHBondContact O-N 2.9Å; D1570-R1574 WeakPolarHBondContact O-CA 3.41Å; D1570-R1574 WeakPolarHBondContact O-CB 3.24Å; D1570-R1574 WeakPolarHBondContact O-CG 3.21Å; D1570-R1574 PolarHBondContact O-N 3.48Å; D1570-R1574 VanDerWaalsContact O-N 3.12Å |
| 1571 | C | 86.1 | Confident | 84.9 | Confident | 28 Ų | 28 | 44.4 Ų | 44.4 | 19% | 0.189 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -81.8 | -44.2 | 178.1 | 176.8 | 0 | 0 | 0 | 0 | 112.7 | V1551 I1552 C1553 K1567 V1568 L1569 | V1551-C1571 VanDerWaalsContact CG1-SG 3.57Å; I1552-C1571 PolarHBondContact O-SG 2.68Å; C1553-C1571 WeakPolarHBondContact CA-SG 3.23Å; C1553-C1571 HydrophobicContact CB-CB 3.72Å; C1553-C1571 WeakPolarHBondContact CB-SG 3.32Å; C1553-C1571 WeakPolarHBondContact SG-CB 3.23Å; C1553-C1571 CovalentContact SG-SG 2.04Å; C1553-C1571 PolarHBondContact SG-SG 3.15Å; K1567-C1571 WeakPolarHBondContact O-CB 3.42Å; K1567-C1571 PolarHBondContact O-N 3.18Å; V1568-C1571 WeakPolarHBondContact O-CB 3.33Å; V1568-C1571 PolarHBondContact O-N 2.69Å; L1569-C1571 PolarHBondContact O-N 3.12Å; L1569-C1571 VanDerWaalsContact O-N 3.17Å |
| 1572 | L | 85.5 | Confident | 84.5 | Confident | 37 Ų | 37 | 45.3 Ų | 45.3 | 19% | 0.194 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.1 | -36.1 | 176.4 | -71.3 | 177.2 | 0 | 0 | 0 | 112.2 | V1529 V1551 V1568 L1569 V1629 | V1529-L1572 HydrophobicContact CB-CD2 4.5Å; V1529-L1572 HydrophobicContact CG1-CD1 3.94Å; V1529-L1572 HydrophobicContact CG1-CD2 4.13Å; V1529-L1572 HydrophobicContact CG1-CG 4.23Å; V1551-L1572 HydrophobicContact CB-CD2 3.92Å; V1551-L1572 HydrophobicContact CG2-CD2 3.75Å; V1568-L1572 HydrophobicContact CG1-CD1 3.86Å; V1568-L1572 HydrophobicContact CG1-CG 4.29Å; V1568-L1572 WeakPolarHBondContact O-CB 3.42Å; V1568-L1572 WeakPolarHBondContact O-CG 3.47Å; V1568-L1572 PolarHBondContact O-N 3.37Å; L1569-L1572 PolarHBondContact O-N 2.94Å; L1572-V1629 HydrophobicContact CD1-CG2 3.73Å |
| 1573 | Y | 82.6 | Confident | 84.1 | Confident | 57 Ų | 57 | 42.1 Ų | 42.1 | 22% | 0.224 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 23.5 | -174.2 | -61 | -81.2 | 0 | 0 | 0 | 112.4 | L1569 N1575 T1576 Q1581 P1582 | L1569-Y1573 HydrophobicContact CB-CD2 4.42Å; L1569-Y1573 HydrophobicContact CD2-CD2 3.83Å; L1569-Y1573 HydrophobicContact CD2-CE2 3.63Å; L1569-Y1573 WeakPolarHBondContact O-CA 3.44Å; L1569-Y1573 VanDerWaalsContact O-CB 3.27Å; L1569-Y1573 WeakPolarHBondContact O-CB 3.3Å; L1569-Y1573 WeakPolarHBondContact O-CD2 3.35Å; L1569-Y1573 PolarHBondContact O-N 2.95Å; Y1573-N1575 PolarHBondContact O-N 3.42Å; Y1573-T1576 VanDerWaalsContact CA-OG1 3.29Å; Y1573-T1576 WeakPolarHBondContact CA-OG1 3.48Å; Y1573-T1576 VanDerWaalsContact CB-OG1 3.3Å; Y1573-T1576 WeakPolarHBondContact CB-OG1 3.45Å; Y1573-T1576 PolarHBondContact O-N 2.92Å; Y1573-T1576 PolarHBondContact O-OG1 3.07Å; Y1573-Q1581 HydrophobicContact CD1-CB 4.24Å; Y1573-Q1581 HydrophobicContact CD2-CB 4.02Å; Y1573-Q1581 HydrophobicContact CG-CB 3.8Å; Y1573-P1582 VanDerWaalsContact CE2-CD 3.42Å; Y1573-P1582 HydrophobicContact CE2-CG 3.99Å; Y1573-P1582 WeakPolarHBondContact OH-CG 3.49Å |
| 1574 | R | 73.6 | Confident | 83.8 | Confident | 120 Ų | 120 | 42.1 Ų | 42.1 | 45% | 0.453 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | -23.7 | -175.6 | -154.9 | 173.8 | -169.3 | -143.2 | -7.8 | 114.7 | D1329 D1570 | D1329-R1574 IonicContact OD1-NH1 3.38Å; D1329-R1574 IonicContact OD2-CZ 3.61Å; D1329-R1574 IonicContact OD2-NH1 3.12Å; D1329-R1574 PolarHBondContact OD2-NH1 2.96Å; D1329-R1574 IonicContact OD2-NH2 3.89Å; D1329-R1574 PolarHBondContact OD2-NH2 3.38Å; D1570-R1574 WeakPolarHBondContact O-CA 3.41Å; D1570-R1574 WeakPolarHBondContact O-CB 3.24Å; D1570-R1574 WeakPolarHBondContact O-CG 3.21Å; D1570-R1574 PolarHBondContact O-N 3.48Å; D1570-R1574 VanDerWaalsContact O-N 3.12Å |
| 1575 | N | 62 | Low | 83.3 | Confident | 92 Ų | 92 | 44.3 Ų | 44.3 | 49% | 0.492 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 10.2 | -174.1 | -49.4 | -10.9 | 0 | 0 | 0 | 113.5 | L1333 Y1573 | L1333-N1575 WeakPolarHBondContact CD1-OD1 3.49Å; L1333-N1575 HydrophobicContact CD2-CB 4.07Å; L1333-N1575 VanDerWaalsContact CD2-ND2 3.27Å; L1333-N1575 WeakPolarHBondContact CD2-ND2 3.39Å; L1333-N1575 WeakPolarHBondContact CD2-OD1 3.25Å; Y1573-N1575 PolarHBondContact O-N 3.42Å |
| 1576 | T | 73.4 | Confident | 83 | Confident | 62 Ų | 62 | 47.2 Ų | 47.2 | 38% | 0.38 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -115.9 | 142.3 | -171.4 | -7.7 | 0 | 0 | 0 | 0 | 109.4 | Y1573 A1580 | Y1573-T1576 VanDerWaalsContact CA-OG1 3.29Å; Y1573-T1576 WeakPolarHBondContact CA-OG1 3.48Å; Y1573-T1576 VanDerWaalsContact CB-OG1 3.3Å; Y1573-T1576 WeakPolarHBondContact CB-OG1 3.45Å; Y1573-T1576 PolarHBondContact O-N 2.92Å; Y1573-T1576 PolarHBondContact O-OG1 3.07Å; T1576-A1580 HydrophobicContact CG2-CB 3.9Å |
| 1577 | A | 81.1 | Confident | 82.9 | Confident | 30 Ų | 30 | 45.5 Ų | 45.5 | 25% | 0.248 | 25% | 0.251 | C | S | . | . | trans | -55.5 | 140.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | P1336 S1579 A1580 D1778 | P1336-A1577 HydrophobicContact CB-CB 4.19Å; A1577-S1579 PolarHBondContact O-N 3.05Å; A1577-S1579 VanDerWaalsContact O-N 3.17Å; A1577-A1580 WeakPolarHBondContact O-CB 3.42Å; A1577-A1580 PolarHBondContact O-N 3.39Å; A1577-D1778 HydrophobicContact CB-CB 3.93Å; A1577-D1778 WeakPolarHBondContact CB-OD2 3.42Å | ||
| 1578 | Y | 85 | Confident | 82.8 | Confident | 84 Ų | 84 | 45.5 Ų | 45.5 | 33% | 0.329 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -58.6 | -33.7 | -174.4 | -179.8 | -104.2 | 0 | 0 | 0 | 112.5 | A1580 Q1581 D1778 D1780 | Y1578-A1580 PolarHBondContact O-N 3.18Å; Y1578-A1580 VanDerWaalsContact O-N 3.14Å; Y1578-Q1581 HydrophobicContact CD2-CG 4.17Å; Y1578-Q1581 HydrophobicContact CE2-CG 4.43Å; Y1578-Q1581 VanDerWaalsContact CE2-NE2 3.33Å; Y1578-Q1581 WeakPolarHBondContact O-CG 3.2Å; Y1578-Q1581 PolarHBondContact O-N 3.39Å; Y1578-D1778 PolarHBondContact N-O 3.22Å; Y1578-D1780 HydrophobicContact CD1-CB 4.3Å; Y1578-D1780 HydrophobicContact CD2-CB 3.57Å; Y1578-D1780 HydrophobicContact CE1-CB 4.21Å; Y1578-D1780 HydrophobicContact CE2-CB 3.44Å; Y1578-D1780 VanDerWaalsContact CE2-CB 3.44Å; Y1578-D1780 HydrophobicContact CG-CB 3.97Å |
| 1579 | S | 82.8 | Confident | 82.8 | Confident | 93 Ų | 93 | 45.5 Ų | 45.5 | 65% | 0.65 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -63.6 | -14.2 | 174.8 | 66.4 | 0 | 0 | 0 | 0 | 115.3 | A1577 D1778 | A1577-S1579 PolarHBondContact O-N 3.05Å; A1577-S1579 VanDerWaalsContact O-N 3.17Å; S1579-D1778 VanDerWaalsContact CB-OD2 3.27Å; S1579-D1778 WeakPolarHBondContact CB-OD2 3.5Å; S1579-D1778 PolarHBondContact N-OD1 3.03Å; S1579-D1778 PolarHBondContact OG-OD2 2.86Å |
| 1580 | A | 82.2 | Confident | 82.9 | Confident | 63 Ų | 63 | 47.3 Ų | 47.3 | 52% | 0.521 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -99.9 | -5.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | T1576 A1577 Y1578 | T1576-A1580 HydrophobicContact CG2-CB 3.9Å; A1577-A1580 WeakPolarHBondContact O-CB 3.42Å; A1577-A1580 PolarHBondContact O-N 3.39Å; Y1578-A1580 PolarHBondContact O-N 3.18Å; Y1578-A1580 VanDerWaalsContact O-N 3.14Å |
| 1581 | Q | 83.4 | Confident | 83.2 | Confident | 26 Ų | 26 | 47.4 Ų | 47.4 | 12% | 0.121 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -90.8 | 151.2 | 175.4 | 82.8 | 174.5 | 28.6 | 0 | 0 | 111.5 | Y1573 Y1578 | Y1573-Q1581 HydrophobicContact CD1-CB 4.24Å; Y1573-Q1581 HydrophobicContact CD2-CB 4.02Å; Y1573-Q1581 HydrophobicContact CG-CB 3.8Å; Y1578-Q1581 HydrophobicContact CD2-CG 4.17Å; Y1578-Q1581 HydrophobicContact CE2-CG 4.43Å; Y1578-Q1581 VanDerWaalsContact CE2-NE2 3.33Å; Y1578-Q1581 WeakPolarHBondContact O-CG 3.2Å; Y1578-Q1581 PolarHBondContact O-N 3.39Å |
| 1582 | P | 83.8 | Confident | 83.2 | Confident | 19 Ų | 19 | 49.7 Ų | 49.7 | 12% | 0.123 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 144 | 166.8 | -17.5 | 30.5 | 0 | 0 | 0 | 110.2 | L1569 Y1573 D1586 I1587 M1631 | L1569-P1582 VanDerWaalsContact CD1-O 3.27Å; L1569-P1582 WeakPolarHBondContact CD1-O 3.48Å; L1569-P1582 HydrophobicContact CD2-CB 4.27Å; L1569-P1582 HydrophobicContact CD2-CG 4.32Å; Y1573-P1582 VanDerWaalsContact CE2-CD 3.42Å; Y1573-P1582 HydrophobicContact CE2-CG 3.99Å; Y1573-P1582 WeakPolarHBondContact OH-CG 3.49Å; P1582-D1586 HydrophobicContact CB-CB 4.14Å; P1582-I1587 HydrophobicContact CB-CG2 4Å; P1582-M1631 HydrophobicContact CB-CE 4.35Å; P1582-M1631 HydrophobicContact CB-SD 4.39Å; P1582-M1631 HydrophobicContact CG-CE 3.6Å; P1582-M1631 HydrophobicContact CG-SD 4.24Å |
| 1583 | S | 82.4 | Confident | 83 | Confident | 31 Ų | 31 | 49.4 Ų | 49.4 | 22% | 0.217 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -69 | 158.4 | 172.9 | 80.9 | 0 | 0 | 0 | 0 | 110.4 | N1585 D1586 | S1583-N1585 PolarHBondContact O-N 2.89Å; S1583-N1585 PolarHBondContact OG-N 3.41Å; S1583-D1586 WeakPolarHBondContact CA-OD2 3.46Å; S1583-D1586 WeakPolarHBondContact CB-OD2 3.12Å; S1583-D1586 PolarHBondContact N-OD2 3.31Å; S1583-D1586 WeakPolarHBondContact O-CB 3.43Å; S1583-D1586 PolarHBondContact O-N 2.78Å; S1583-D1586 PolarHBondContact OG-N 2.87Å; S1583-D1586 PolarHBondContact OG-OD1 3.12Å; S1583-D1586 PolarHBondContact OG-OD2 2.94Å |
| 1584 | V | 84.2 | Confident | 82.7 | Confident | 26 Ų | 26 | 59.4 Ų | 59.4 | 16% | 0.158 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -23 | 174.3 | 174.2 | 0 | 0 | 0 | 0 | 112.3 | R1562 K1565 A1566 L1569 | R1562-V1584 HydrophobicContact CG-CG1 3.68Å; K1565-V1584 HydrophobicContact CB-CG1 3.7Å; K1565-V1584 HydrophobicContact CD-CG1 4.08Å; A1566-V1584 HydrophobicContact CB-CG2 3.95Å; L1569-V1584 HydrophobicContact CD1-CB 4.39Å; L1569-V1584 HydrophobicContact CD1-CG2 3.8Å |
| 1585 | N | 82.8 | Confident | 82.8 | Confident | 47 Ų | 47 | 63 Ų | 63 | 25% | 0.251 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -17 | 179.3 | -63.5 | -29.4 | 0 | 0 | 0 | 113.5 | S1583 R1632 H1645 | S1583-N1585 PolarHBondContact O-N 2.89Å; S1583-N1585 PolarHBondContact OG-N 3.41Å; N1585-R1632 WeakPolarHBondContact O-CD 3.37Å; N1585-R1632 PolarHBondContact O-NH1 3.03Å; N1585-H1645 PolarHBondContact ND2-NE2 2.76Å |
| 1586 | D | 85.3 | Confident | 83.6 | Confident | 77 Ų | 77 | 60.6 Ų | 60.6 | 41% | 0.412 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -12.9 | -177.2 | -58.7 | -37.1 | 0 | 0 | 0 | 112.6 | P1582 S1583 R1632 | P1582-D1586 HydrophobicContact CB-CB 4.14Å; S1583-D1586 WeakPolarHBondContact CA-OD2 3.46Å; S1583-D1586 WeakPolarHBondContact CB-OD2 3.12Å; S1583-D1586 PolarHBondContact N-OD2 3.31Å; S1583-D1586 WeakPolarHBondContact O-CB 3.43Å; S1583-D1586 PolarHBondContact O-N 2.78Å; S1583-D1586 PolarHBondContact OG-N 2.87Å; S1583-D1586 PolarHBondContact OG-OD1 3.12Å; S1583-D1586 PolarHBondContact OG-OD2 2.94Å; D1586-R1632 WeakPolarHBondContact O-CB 3.18Å; D1586-R1632 PolarHBondContact O-N 2.89Å |
| 1587 | I | 87.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 146.8 | -178.4 | 63.1 | 156.3 | 0 | 0 | 0 | 112.3 | K1565 L1569 P1582 L1589 V1629 L1630 M1631 | K1565-I1587 HydrophobicContact CB-CD1 4.17Å; K1565-I1587 WeakPolarHBondContact CE-O 3.09Å; K1565-I1587 HydrophobicContact CG-CD1 4.29Å; K1565-I1587 HydrophobicContact CG-CG1 4.5Å; K1565-I1587 PolarHBondContact NZ-O 2.78Å; L1569-I1587 HydrophobicContact CD1-CD1 3.92Å; L1569-I1587 HydrophobicContact CD1-CG1 4.25Å; L1569-I1587 HydrophobicContact CD2-CD1 3.71Å; L1569-I1587 HydrophobicContact CD2-CG1 4.36Å; L1569-I1587 HydrophobicContact CD2-CG2 4.34Å; L1569-I1587 HydrophobicContact CG-CD1 3.61Å; L1569-I1587 HydrophobicContact CG-CG1 4.41Å; P1582-I1587 HydrophobicContact CB-CG2 4Å; I1587-L1589 HydrophobicContact CD1-CD2 4.29Å; I1587-V1629 HydrophobicContact CB-CG1 3.89Å; I1587-V1629 HydrophobicContact CD1-CG1 4.17Å; I1587-V1629 HydrophobicContact CG2-CG1 3.79Å; I1587-L1630 CarbonylContact C-O 3.59Å; I1587-L1630 VanDerWaalsContact CA-O 3.31Å; I1587-L1630 WeakPolarHBondContact CA-O 3.24Å; I1587-M1631 HydrophobicContact CG2-SD 4.02Å |
| 1588 | D | 89.1 | Confident | 84.4 | Confident | 27 Ų | 27 | 62.9 Ų | 62.9 | 14% | 0.144 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 156 | 161.9 | -74.6 | -41.1 | 0 | 0 | 0 | 110.3 | K1565 L1599 L1630 R1632 | K1565-D1588 IonicContact NZ-OD1 3.19Å; K1565-D1588 PolarHBondContact NZ-OD1 3.01Å; D1588-L1599 HydrophobicContact CB-CD1 3.9Å; D1588-L1630 PolarHBondContact N-O 3.41Å; D1588-L1630 PolarHBondContact O-N 2.77Å; D1588-R1632 IonicContact OD1-CZ 3.32Å; D1588-R1632 IonicContact OD1-NE 2.74Å; D1588-R1632 PolarHBondContact OD1-NE 2.8Å; D1588-R1632 IonicContact OD1-NH2 2.77Å; D1588-R1632 PolarHBondContact OD1-NH2 2.93Å; D1588-R1632 IonicContact OD2-CZ 3.63Å; D1588-R1632 IonicContact OD2-NE 3.91Å; D1588-R1632 PolarHBondContact OD2-NE 3.26Å; D1588-R1632 IonicContact OD2-NH2 2.62Å; D1588-R1632 PolarHBondContact OD2-NH2 3.31Å |
| 1589 | L | 91.6 | Very high | 84.6 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 125.8 | -178.7 | -60.5 | -179.9 | 0 | 0 | 0 | 109.5 | V1564 K1565 V1568 I1587 L1600 I1627 V1629 | V1564-L1589 HydrophobicContact CB-CD1 4.33Å; V1564-L1589 HydrophobicContact CG1-CD1 3.6Å; K1565-L1589 HydrophobicContact CB-CD1 4.44Å; K1565-L1589 HydrophobicContact CG-CD1 3.68Å; K1565-L1589 HydrophobicContact CG-CG 3.81Å; V1568-L1589 HydrophobicContact CG1-CD2 4.12Å; V1568-L1589 HydrophobicContact CG2-CD1 4.32Å; I1587-L1589 HydrophobicContact CD1-CD2 4.29Å; L1589-L1600 HydrophobicContact CB-CB 4.27Å; L1589-L1600 HydrophobicContact CB-CD1 4Å; L1589-L1600 HydrophobicContact CB-CG 4.37Å; L1589-L1600 WeakPolarHBondContact O-CB 3.47Å; L1589-L1600 PolarHBondContact O-N 3.01Å; L1589-I1627 HydrophobicContact CB-CG2 3.84Å; L1589-I1627 HydrophobicContact CD1-CG2 4.49Å; L1589-I1627 HydrophobicContact CD2-CG2 3.93Å; L1589-I1627 HydrophobicContact CG-CG2 4.29Å; L1589-V1629 HydrophobicContact CD2-CG2 3.84Å |
| 1590 | E | 90.8 | Very high | 84.9 | Confident | 39 Ų | 39 | 57.5 Ų | 57.5 | 18% | 0.182 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 119.6 | 178.4 | -168 | -174.4 | -151.6 | 0 | 0 | 110.1 | H1592 S1597 I1598 L1599 I1627 V1628 L1630 | E1590-H1592 IonicContact OE2-CD2 3.93Å; E1590-H1592 IonicContact OE2-CE1 2.87Å; E1590-H1592 IonicContact OE2-NE2 3.73Å; E1590-H1592 PolarHBondContact OE2-NE2 3.34Å; E1590-S1597 VanDerWaalsContact CD-CB 3.49Å; E1590-S1597 WeakPolarHBondContact OE1-CB 3.15Å; E1590-S1597 PolarHBondContact OE1-OG 2.82Å; E1590-I1598 CarbonylContact C-O 3.33Å; E1590-L1599 HydrophobicContact CB-CD1 4.45Å; E1590-I1627 CarbonylContact O-C 3.32Å; E1590-I1627 WeakPolarHBondContact O-CA 3.32Å; E1590-V1628 PolarHBondContact N-O 3.3Å; E1590-V1628 PolarHBondContact O-N 3.38Å; E1590-L1630 HydrophobicContact CB-CD1 3.86Å; E1590-L1630 HydrophobicContact CB-CG 4.3Å |
| 1591 | W | 91.5 | Very high | 85 | Confident | 38 Ų | 38 | 62.1 Ų | 62.1 | 14% | 0.144 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 119.6 | 174.8 | 173 | 38.9 | 0 | 0 | 0 | 110.8 | S1597 I1598 L1600 L1621 P1622 I1627 | W1591-S1597 CarbonylContact O-C 3.54Å; W1591-S1597 VanDerWaalsContact O-CA 3.26Å; W1591-S1597 WeakPolarHBondContact O-CA 3.19Å; W1591-I1598 HydrophobicContact CE3-CB 4.4Å; W1591-I1598 HydrophobicContact CE3-CD1 3.96Å; W1591-I1598 HydrophobicContact CZ3-CD1 3.98Å; W1591-I1598 PolarHBondContact N-O 2.86Å; W1591-I1598 PolarHBondContact O-N 3.32Å; W1591-L1600 HydrophobicContact CB-CD2 4.2Å; W1591-L1621 HydrophobicContact CB-CD2 3.84Å; W1591-L1621 HydrophobicContact CD2-CD2 3.29Å; W1591-L1621 HydrophobicContact CE3-CD2 3.48Å; W1591-L1621 VanDerWaalsContact CE3-CD2 3.48Å; W1591-L1621 HydrophobicContact CG-CD2 3.44Å; W1591-L1621 VanDerWaalsContact CG-CD2 3.44Å; W1591-L1621 HydrophobicContact CZ3-CD2 4.16Å; W1591-P1622 VanDerWaalsContact CZ2-CD 3.46Å; W1591-P1622 HydrophobicContact CZ2-CG 3.98Å; W1591-I1627 HydrophobicContact CB-CD1 3.63Å; W1591-I1627 HydrophobicContact CG-CD1 4.05Å |
| 1592 | H | 87.2 | Confident | 84.9 | Confident | 75 Ų | 75 | 62.8 Ų | 62.8 | 35% | 0.347 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 109.6 | 175 | -77.1 | -150 | 0 | 0 | 0 | 109.8 | E1590 L1626 | E1590-H1592 IonicContact OE2-CD2 3.93Å; E1590-H1592 IonicContact OE2-CE1 2.87Å; E1590-H1592 IonicContact OE2-NE2 3.73Å; E1590-H1592 PolarHBondContact OE2-NE2 3.34Å; H1592-L1626 HydrophobicContact CB-CB 4.41Å; H1592-L1626 HydrophobicContact CB-CD2 4.08Å; H1592-L1626 HydrophobicContact CB-CG 4.42Å; H1592-L1626 PolarHBondContact N-O 3.5Å |
| 1593 | S | 80.8 | Confident | 84.4 | Confident | 32 Ų | 32 | 65.2 Ų | 65.2 | 22% | 0.224 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 170.7 | 174.6 | 85.9 | 0 | 0 | 0 | 0 | 111.1 | Q1595 G1596 | S1593-Q1595 PolarHBondContact O-N 3.14Å; S1593-Q1595 PolarHBondContact OG-N 2.82Å; S1593-G1596 PolarHBondContact N-O 3.06Å; S1593-G1596 PolarHBondContact O-N 2.84Å; S1593-G1596 PolarHBondContact OG-N 2.86Å; S1593-G1596 PolarHBondContact OG-O 3.29Å |
| 1594 | R | 75.4 | Confident | 83.4 | Confident | 267 Ų | 267 | 69.3 Ų | 69.3 | 100% | 1.008 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -17.7 | 170.9 | -67.6 | -172.7 | -179 | -174.4 | 0.7 | 113.6 | ||
| 1595 | Q | 76 | Confident | 82 | Confident | 196 Ų | 196 | 76.5 Ų | 76.5 | 92% | 0.916 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -5.2 | -177.6 | -66.3 | 177.4 | -14.2 | 0 | 0 | 113.4 | S1593 | S1593-Q1595 PolarHBondContact O-N 3.14Å; S1593-Q1595 PolarHBondContact OG-N 2.82Å |
| 1596 | G | 80.2 | Confident | 80.4 | Confident | 40 Ų | 40 | 78.7 Ų | 78.7 | 41% | 0.412 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 134.8 | 179 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112 | S1593 | S1593-G1596 PolarHBondContact N-O 3.06Å; S1593-G1596 PolarHBondContact O-N 2.84Å; S1593-G1596 PolarHBondContact OG-N 2.86Å; S1593-G1596 PolarHBondContact OG-O 3.29Å |
| 1597 | S | 83.1 | Confident | 78.7 | Confident | 65 Ų | 65 | 80.9 Ų | 80.9 | 46% | 0.455 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 140.9 | 177 | 66.9 | 0 | 0 | 0 | 0 | 111.8 | E1590 W1591 | E1590-S1597 VanDerWaalsContact CD-CB 3.49Å; E1590-S1597 WeakPolarHBondContact OE1-CB 3.15Å; E1590-S1597 PolarHBondContact OE1-OG 2.82Å; W1591-S1597 CarbonylContact O-C 3.54Å; W1591-S1597 VanDerWaalsContact O-CA 3.26Å; W1591-S1597 WeakPolarHBondContact O-CA 3.19Å |
| 1598 | I | 87 | Confident | 76.9 | Confident | 76 Ų | 76 | 86.8 Ų | 86.8 | 39% | 0.39 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 120 | -178.7 | -59.3 | 177.2 | 0 | 0 | 0 | 109.1 | E1590 W1591 L1600 Y1619 | E1590-I1598 CarbonylContact C-O 3.33Å; W1591-I1598 HydrophobicContact CE3-CB 4.4Å; W1591-I1598 HydrophobicContact CE3-CD1 3.96Å; W1591-I1598 HydrophobicContact CZ3-CD1 3.98Å; W1591-I1598 PolarHBondContact N-O 2.86Å; W1591-I1598 PolarHBondContact O-N 3.32Å; I1598-L1600 PolarHBondContact O-N 3.11Å; I1598-Y1619 HydrophobicContact CG2-CD1 4.46Å; I1598-Y1619 HydrophobicContact CG2-CE1 4.35Å |
| 1599 | L | 89 | Confident | 75.2 | Confident | 62 Ų | 62 | 93.3 Ų | 93.3 | 33% | 0.325 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 122.3 | 173.9 | -169.4 | 71.7 | 0 | 0 | 0 | 110.7 | D1588 E1590 R1601 L1630 | D1588-L1599 HydrophobicContact CB-CD1 3.9Å; E1590-L1599 HydrophobicContact CB-CD1 4.45Å; L1599-R1601 HydrophobicContact CD2-CG 4.41Å; L1599-R1601 PolarHBondContact O-N 3.1Å; L1599-L1630 HydrophobicContact CD1-CD1 4.23Å |
| 1600 | L | 89.8 | Confident | 73.7 | Confident | 1 Ų | 1 | 96.3 Ų | 96.3 | 1% | 0.005 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 116.3 | 176.7 | -52.5 | -178.3 | 0 | 0 | 0 | 109.4 | I1561 L1589 W1591 I1598 Y1619 L1621 I1627 | I1561-L1600 HydrophobicContact CD1-CB 4.29Å; I1561-L1600 HydrophobicContact CG2-CB 4.05Å; L1589-L1600 HydrophobicContact CB-CB 4.27Å; L1589-L1600 HydrophobicContact CB-CD1 4Å; L1589-L1600 HydrophobicContact CB-CG 4.37Å; L1589-L1600 WeakPolarHBondContact O-CB 3.47Å; L1589-L1600 PolarHBondContact O-N 3.01Å; W1591-L1600 HydrophobicContact CB-CD2 4.2Å; I1598-L1600 PolarHBondContact O-N 3.11Å; L1600-Y1619 HydrophobicContact CB-CE2 4.49Å; L1600-Y1619 HydrophobicContact CD2-CD1 3.46Å; L1600-Y1619 VanDerWaalsContact CD2-CD1 3.46Å; L1600-Y1619 HydrophobicContact CD2-CD2 4Å; L1600-Y1619 HydrophobicContact CD2-CE1 3.8Å; L1600-Y1619 HydrophobicContact CD2-CE2 4.29Å; L1600-Y1619 HydrophobicContact CD2-CG 3.59Å; L1600-L1621 HydrophobicContact CD1-CD1 3.89Å; L1600-L1621 HydrophobicContact CD2-CD1 4.42Å; L1600-L1621 HydrophobicContact CD2-CD2 4.29Å; L1600-I1627 HydrophobicContact CD1-CD1 4.04Å |
| 1601 | R | 84.5 | Confident | 72.5 | Confident | 160 Ų | 160 | 95.3 Ų | 95.3 | 60% | 0.604 | 48% | 0.482 | S | S | * | . | trans | -113.6 | 144.3 | -177.2 | -64.6 | -175.9 | 178.3 | 178.3 | 0 | 110.5 | L1599 H1603 N1614 Y1619 | L1599-R1601 HydrophobicContact CD2-CG 4.41Å; L1599-R1601 PolarHBondContact O-N 3.1Å; R1601-H1603 VanDerWaalsContact C-N 3.34Å; R1601-H1603 PolarHBondContact O-N 3.47Å; R1601-N1614 WeakPolarHBondContact O-CB 3.43Å; R1601-N1614 PolarHBondContact O-ND2 3.3Å; R1601-Y1619 PolarHBondContact N-OH 2.67Å; R1601-Y1619 PolarHBondContact O-OH 2.99Å | ||
| 1602 | E | 80.3 | Confident | 72.1 | Confident | 40 Ų | 40 | 98.5 Ų | 98.5 | 19% | 0.187 | 49% | 0.494 | C | S | . | . | S | Bend | trans | -62.8 | -38.1 | -179.2 | -153.3 | 75.9 | -140.9 | 0 | 0 | 113.4 | I1561 R1562 L1613 N1614 | I1561-E1602 PolarHBondContact N-OE1 3.34Å; R1562-E1602 WeakPolarHBondContact CA-OE2 3.49Å; R1562-E1602 WeakPolarHBondContact CB-OE1 3.49Å; R1562-E1602 WeakPolarHBondContact CB-OE2 3.46Å; R1562-E1602 PolarHBondContact N-OE1 3.3Å; R1562-E1602 PolarHBondContact N-OE2 3.29Å; E1602-L1613 HydrophobicContact CG-CD2 4.03Å; E1602-N1614 WeakPolarHBondContact O-CB 3.45Å; E1602-N1614 PolarHBondContact O-N 2.9Å |
| 1603 | H | 74.2 | Confident | 72.1 | Confident | 70 Ų | 70 | 95.9 Ų | 95.9 | 32% | 0.324 | 48% | 0.482 | S | S | . | . | trans | -150 | 151.1 | 179.1 | 58.2 | -84.4 | 0 | 0 | 0 | 109.7 | R1601 F1672 | R1601-H1603 VanDerWaalsContact C-N 3.34Å; R1601-H1603 PolarHBondContact O-N 3.47Å; H1603-F1672 HydrophobicContact CB-CE1 3.78Å; H1603-F1672 HydrophobicContact CB-CZ 4.48Å; H1603-F1672 AromaticContact CG-CE1 3.74Å; H1603-F1672 AromaticContact CG-CZ 3.94Å | ||
| 1604 | I | 61.9 | Low | 72.5 | Confident | 117 Ų | 117 | 95.5 Ų | 95.5 | 60% | 0.6 | 48% | 0.478 | S | S | * | . | trans | -83.3 | 134.8 | 166 | -58.3 | 174.1 | 0 | 0 | 0 | 106.1 | T1606 | I1604-T1606 HydrophobicContact CG2-CG2 4.16Å; I1604-T1606 PolarHBondContact O-N 3.26Å | ||
| 1605 | R | 54.2 | Low | 73.2 | Confident | 178 Ų | 178 | 83.1 Ų | 83.1 | 67% | 0.672 | 43% | 0.432 | S | S | * | . | trans | -64.4 | 84.5 | 168.3 | -83.8 | -172.2 | 178.4 | 172.5 | 5.2 | 108.8 | Y1639 | R1605-Y1639 PolarHBondContact NH1-OH 2.72Š| ||
| 1606 | T | 48.7 | Very low | 74 | Confident | 92 Ų | 92 | 73.9 Ų | 73.9 | 56% | 0.564 | 39% | 0.388 | S | S | * | . | trans | -107 | 134.7 | 161.1 | 44.5 | 0 | 0 | 0 | 0 | 107 | I1604 D1608 | I1604-T1606 HydrophobicContact CG2-CG2 4.16Å; I1604-T1606 PolarHBondContact O-N 3.26Å; T1606-D1608 PolarHBondContact O-N 3.44Å | ||
| 1607 | S | 49.4 | Very low | 74.5 | Confident | 124 Ų | 124 | 78.2 Ų | 78.2 | 87% | 0.867 | 40% | 0.396 | S | S | * | . | trans | -62.9 | 13 | -175.6 | 51.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1608 | D | 50.7 | Low | 74.8 | Confident | 123 Ų | 123 | 78.4 Ų | 78.4 | 66% | 0.658 | 39% | 0.392 | S | S | * | . | trans | -80 | 124.8 | 179.7 | -80.5 | -20.6 | 0 | 0 | 0 | 110.3 | T1606 C1610 | T1606-D1608 PolarHBondContact O-N 3.44Å; D1608-C1610 PolarHBondContact O-N 2.97Å | ||
| 1609 | M | 52.9 | Low | 74.9 | Confident | 165 Ų | 165 | 76.9 Ų | 76.9 | 81% | 0.813 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -60.3 | -11 | -175.8 | -75.5 | -160.5 | 68.4 | 0 | 0 | 115.2 | ||
| 1610 | C | 60.4 | Low | 74.9 | Confident | 63 Ų | 63 | 84.2 Ų | 84.2 | 43% | 0.426 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 94.7 | 179.9 | -152.1 | 0 | 0 | 0 | 0 | 109.8 | D1608 H1671 | D1608-C1610 PolarHBondContact O-N 2.97Å; C1610-H1671 WeakPolarHBondContact CA-O 3.49Å |
| 1611 | G | 66.4 | Low | 74.8 | Confident | 17 Ų | 17 | 84.7 Ų | 84.7 | 18% | 0.175 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 139.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | H1671 F1672 W1673 | G1611-H1671 PolarHBondContact N-O 2.87Å; G1611-F1672 WeakPolarHBondContact O-CA 3.43Å; G1611-F1672 WeakPolarHBondContact O-CD1 3.4Å; G1611-W1673 PolarHBondContact O-N 3.23Å; G1611-W1673 VanDerWaalsContact O-N 3.1Å |
| 1612 | R | 82.6 | Confident | 74.9 | Confident | 106 Ų | 106 | 80.2 Ų | 80.2 | 40% | 0.4 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 136.7 | 165.1 | -164.8 | -179.6 | 89.2 | 155 | 1.8 | 109.7 | D1618 W1673 | R1612-D1618 IonicContact CZ-OD2 2.68Å; R1612-D1618 IonicContact NH2-OD1 3.95Å; R1612-D1618 PolarHBondContact NH2-OD1 2.9Å; R1612-D1618 IonicContact NH2-OD2 2.83Å; R1612-D1618 PolarHBondContact NH2-OD2 3.36Å; R1612-W1673 WeakPolarHBondContact CA-O 3.43Å; R1612-W1673 HydrophobicContact CB-CD2 4.2Å; R1612-W1673 HydrophobicContact CB-CH2 4.13Å; R1612-W1673 HydrophobicContact CB-CZ2 3.66Å; R1612-W1673 VanDerWaalsContact CD-CZ3 3.46Å; R1612-W1673 HydrophobicContact CG-CD2 3.92Å; R1612-W1673 HydrophobicContact CG-CE3 3.84Å; R1612-W1673 HydrophobicContact CG-CH2 3.65Å; R1612-W1673 HydrophobicContact CG-CZ2 3.7Å; R1612-W1673 HydrophobicContact CG-CZ3 3.71Å |
| 1613 | L | 85.9 | Confident | 75.3 | Confident | 19 Ų | 19 | 83 Ų | 83 | 10% | 0.099 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 139.1 | 171.2 | -59.3 | -179.6 | 0 | 0 | 0 | 110.5 | A1501 V1502 A1560 E1602 F1672 W1673 H1674 | A1501-L1613 HydrophobicContact CB-CD1 3.98Å; V1502-L1613 HydrophobicContact CG2-CD1 4.12Å; A1560-L1613 HydrophobicContact CB-CB 4.23Å; A1560-L1613 HydrophobicContact CB-CD1 4.2Å; E1602-L1613 HydrophobicContact CG-CD2 4.03Å; L1613-F1672 HydrophobicContact CD2-CB 3.72Å; L1613-F1672 HydrophobicContact CD2-CD1 3.83Å; L1613-F1672 HydrophobicContact CD2-CG 3.89Å; L1613-F1672 HydrophobicContact CG-CB 4.19Å; L1613-W1673 PolarHBondContact N-O 2.96Å; L1613-H1674 HydrophobicContact CD1-CB 4.26Å |
| 1614 | N | 89.2 | Confident | 75.9 | Confident | 25 Ų | 25 | 83.7 Ų | 83.7 | 13% | 0.134 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 137.2 | 174 | -69.1 | -28.1 | 0 | 0 | 0 | 110.1 | A1560 I1561 R1601 E1602 Y1619 | A1560-N1614 WeakPolarHBondContact CA-O 3.4Å; I1561-N1614 HydrophobicContact CG1-CB 4.3Å; I1561-N1614 PolarHBondContact N-O 2.82Å; I1561-N1614 VanDerWaalsContact N-O 3.14Å; R1601-N1614 WeakPolarHBondContact O-CB 3.43Å; R1601-N1614 PolarHBondContact O-ND2 3.3Å; E1602-N1614 WeakPolarHBondContact O-CB 3.45Å; E1602-N1614 PolarHBondContact O-N 2.9Å; N1614-Y1619 HydrophobicContact CB-CE2 3.85Å; N1614-Y1619 PolarHBondContact ND2-OH 3.06Å |
| 1615 | T | 91.2 | Very high | 77.3 | Confident | 6 Ų | 6 | 78.3 Ų | 78.3 | 4% | 0.037 | 40% | 0.395 | C | S | . | . | B | Isolated β-bridge | trans | -111.1 | 167.5 | 179.5 | 62.8 | 0 | 0 | 0 | 0 | 111.8 | D1559 K1617 D1618 Y1619 H1674 | D1559-T1615 CarbonylContact O-C 3.56Å; D1559-T1615 WeakPolarHBondContact O-CA 3.44Å; T1615-K1617 PolarHBondContact O-N 2.97Å; T1615-D1618 PolarHBondContact N-OD2 3.44Å; T1615-D1618 WeakPolarHBondContact O-CB 3.34Å; T1615-D1618 PolarHBondContact O-N 3.06Å; T1615-D1618 VanDerWaalsContact OG1-CG 3.26Å; T1615-D1618 PolarHBondContact OG1-N 2.73Å; T1615-D1618 PolarHBondContact OG1-OD2 3.46Å; T1615-Y1619 PolarHBondContact O-N 2.95Å; T1615-H1674 WeakPolarHBondContact CG2-NE2 3.26Å |
| 1616 | V | 91.6 | Very high | 79 | Confident | 2 Ų | 2 | 72.5 Ų | 72.5 | 1% | 0.012 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -37.8 | 171.1 | 173.7 | 0 | 0 | 0 | 0 | 111.8 | V1525 V1555 L1556 T1557 D1559 V1564 D1618 Y1619 R1620 L1621 | V1525-V1616 HydrophobicContact CB-CG1 4.43Å; V1525-V1616 HydrophobicContact CG2-CG1 4.22Å; V1555-V1616 HydrophobicContact CG2-CG1 4.44Å; V1555-V1616 HydrophobicContact CG2-CG2 3.94Å; L1556-V1616 WeakPolarHBondContact O-CB 3.47Å; L1556-V1616 WeakPolarHBondContact O-CG2 3.29Å; T1557-V1616 PolarHBondContact O-N 3.15Å; D1559-V1616 HydrophobicContact CB-CG2 4.37Å; D1559-V1616 PolarHBondContact O-N 2.88Å; V1564-V1616 HydrophobicContact CG2-CG2 3.3Å; V1616-D1618 VanDerWaalsContact C-N 3.31Å; V1616-D1618 PolarHBondContact O-N 3.39Å; V1616-Y1619 PolarHBondContact O-N 2.74Å; V1616-R1620 PolarHBondContact O-N 3.06Å; V1616-L1621 HydrophobicContact CG1-CB 4.18Å; V1616-L1621 HydrophobicContact CG1-CD1 4.23Å |
| 1617 | K | 90.5 | Very high | 81.1 | Confident | 131 Ų | 131 | 68.1 Ų | 68.1 | 57% | 0.57 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -34.3 | 177 | -168.8 | 171.7 | -178.1 | 174.1 | 0 | 112.5 | T1557 T1615 Y1619 R1620 | T1557-K1617 VanDerWaalsContact O-CB 3.24Å; T1557-K1617 WeakPolarHBondContact O-CB 3.2Å; T1557-K1617 PolarHBondContact O-N 3.34Å; T1615-K1617 PolarHBondContact O-N 2.97Å; K1617-Y1619 VanDerWaalsContact C-N 3.32Å; K1617-Y1619 PolarHBondContact O-N 3.36Å; K1617-R1620 PolarHBondContact O-N 3.39Å; K1617-R1620 VanDerWaalsContact O-N 3.14Å |
| 1618 | D | 89.7 | Confident | 83 | Confident | 69 Ų | 69 | 63.3 Ų | 63.3 | 37% | 0.369 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -32.7 | -179.9 | -62.3 | -39.3 | 0 | 0 | 0 | 112 | R1612 T1615 V1616 | R1612-D1618 IonicContact CZ-OD2 2.68Å; R1612-D1618 IonicContact NH2-OD1 3.95Å; R1612-D1618 PolarHBondContact NH2-OD1 2.9Å; R1612-D1618 IonicContact NH2-OD2 2.83Å; R1612-D1618 PolarHBondContact NH2-OD2 3.36Å; T1615-D1618 PolarHBondContact N-OD2 3.44Å; T1615-D1618 WeakPolarHBondContact O-CB 3.34Å; T1615-D1618 PolarHBondContact O-N 3.06Å; T1615-D1618 VanDerWaalsContact OG1-CG 3.26Å; T1615-D1618 PolarHBondContact OG1-N 2.73Å; T1615-D1618 PolarHBondContact OG1-OD2 3.46Å; V1616-D1618 VanDerWaalsContact C-N 3.31Å; V1616-D1618 PolarHBondContact O-N 3.39Å |
| 1619 | Y | 89.6 | Confident | 84.8 | Confident | 44 Ų | 44 | 57.6 Ų | 57.6 | 17% | 0.173 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -8.7 | 173 | -73.8 | -81 | 0 | 0 | 0 | 114.1 | I1561 I1598 L1600 R1601 N1614 T1615 V1616 K1617 L1621 | I1561-Y1619 HydrophobicContact CD1-CD2 3.78Å; I1561-Y1619 HydrophobicContact CD1-CE2 3.75Å; I1561-Y1619 HydrophobicContact CG1-CD2 4.37Å; I1561-Y1619 HydrophobicContact CG1-CE2 3.83Å; I1598-Y1619 HydrophobicContact CG2-CD1 4.46Å; I1598-Y1619 HydrophobicContact CG2-CE1 4.35Å; L1600-Y1619 HydrophobicContact CB-CE2 4.49Å; L1600-Y1619 HydrophobicContact CD2-CD1 3.46Å; L1600-Y1619 VanDerWaalsContact CD2-CD1 3.46Å; L1600-Y1619 HydrophobicContact CD2-CD2 4Å; L1600-Y1619 HydrophobicContact CD2-CE1 3.8Å; L1600-Y1619 HydrophobicContact CD2-CE2 4.29Å; L1600-Y1619 HydrophobicContact CD2-CG 3.59Å; R1601-Y1619 PolarHBondContact N-OH 2.67Å; R1601-Y1619 PolarHBondContact O-OH 2.99Å; N1614-Y1619 HydrophobicContact CB-CE2 3.85Å; N1614-Y1619 PolarHBondContact ND2-OH 3.06Å; T1615-Y1619 PolarHBondContact O-N 2.95Å; V1616-Y1619 PolarHBondContact O-N 2.74Å; K1617-Y1619 VanDerWaalsContact C-N 3.32Å; K1617-Y1619 PolarHBondContact O-N 3.36Å; Y1619-L1621 PolarHBondContact O-N 2.91Å |
| 1620 | R | 88.3 | Confident | 86.3 | Confident | 216 Ų | 216 | 52.9 Ų | 52.9 | 82% | 0.815 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 40.8 | -175.8 | -57.3 | -177.7 | -176.7 | 180 | 0.9 | 112.8 | V1616 K1617 P1622 | V1616-R1620 PolarHBondContact O-N 3.06Å; K1617-R1620 PolarHBondContact O-N 3.39Å; K1617-R1620 VanDerWaalsContact O-N 3.14Å; R1620-P1622 WeakPolarHBondContact O-CD 3.46Å |
| 1621 | L | 88.2 | Confident | 87.4 | Confident | 11 Ų | 11 | 54.2 Ų | 54.2 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -61 | 119.7 | -179.8 | -65.3 | 177.3 | 0 | 0 | 0 | 109.7 | L1527 W1591 L1600 V1616 Y1619 A1625 I1627 | L1527-L1621 HydrophobicContact CD2-CB 4.34Å; L1527-L1621 HydrophobicContact CD2-CD1 4.15Å; W1591-L1621 HydrophobicContact CB-CD2 3.84Å; W1591-L1621 HydrophobicContact CD2-CD2 3.29Å; W1591-L1621 HydrophobicContact CE3-CD2 3.48Å; W1591-L1621 VanDerWaalsContact CE3-CD2 3.48Å; W1591-L1621 HydrophobicContact CG-CD2 3.44Å; W1591-L1621 VanDerWaalsContact CG-CD2 3.44Å; W1591-L1621 HydrophobicContact CZ3-CD2 4.16Å; L1600-L1621 HydrophobicContact CD1-CD1 3.89Å; L1600-L1621 HydrophobicContact CD2-CD1 4.42Å; L1600-L1621 HydrophobicContact CD2-CD2 4.29Å; V1616-L1621 HydrophobicContact CG1-CB 4.18Å; V1616-L1621 HydrophobicContact CG1-CD1 4.23Å; Y1619-L1621 PolarHBondContact O-N 2.91Å; L1621-A1625 HydrophobicContact CB-CB 4.3Å; L1621-I1627 HydrophobicContact CD1-CD1 4.29Å; L1621-I1627 HydrophobicContact CD2-CD1 4.4Å |
| 1622 | P | 86.8 | Confident | 87.8 | Confident | 67 Ų | 67 | 60 Ų | 60 | 44% | 0.435 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 158.1 | 177.6 | 28.4 | -34.4 | 0 | 0 | 0 | 110.9 | W1591 R1620 N1624 A1625 | W1591-P1622 VanDerWaalsContact CZ2-CD 3.46Å; W1591-P1622 HydrophobicContact CZ2-CG 3.98Å; R1620-P1622 WeakPolarHBondContact O-CD 3.46Å; P1622-N1624 PolarHBondContact O-N 3.35Å; P1622-A1625 HydrophobicContact CG-CB 4.18Å; P1622-A1625 WeakPolarHBondContact O-CB 3.29Å; P1622-A1625 PolarHBondContact O-N 2.87Å |
| 1623 | N | 88.1 | Confident | 86.6 | Confident | 99 Ų | 99 | 60.4 Ų | 60.4 | 53% | 0.529 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 137.1 | 171 | -153.4 | 16 | 0 | 0 | 0 | 109.8 | L1526 A1625 | L1526-N1623 WeakPolarHBondContact CA-OD1 3.49Å; L1526-N1623 VanDerWaalsContact CB-OD1 3.29Å; L1526-N1623 WeakPolarHBondContact CB-OD1 3.27Å; L1526-N1623 PolarHBondContact N-OD1 3.25Å; L1526-N1623 PolarHBondContact O-OD1 2.96Å; N1623-A1625 VanDerWaalsContact C-N 3.34Å |
| 1624 | N | 88.2 | Confident | 84.8 | Confident | 84 Ų | 84 | 65.4 Ų | 65.4 | 45% | 0.449 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 24.1 | -168.6 | -63.8 | -37.2 | 0 | 0 | 0 | 116.1 | L1526 R1528 P1622 L1626 | L1526-N1624 VanDerWaalsContact O-CA 3.23Å; L1526-N1624 WeakPolarHBondContact O-CA 3.33Å; L1526-N1624 PolarHBondContact O-N 2.82Å; R1528-N1624 HydrophobicContact CG-CB 4.25Å; P1622-N1624 PolarHBondContact O-N 3.35Å; N1624-L1626 PolarHBondContact O-N 3.43Å |
| 1625 | A | 89.6 | Confident | 82.4 | Confident | 4 Ų | 4 | 68.6 Ų | 68.6 | 3% | 0.033 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.1 | 132.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1527 R1528 L1621 P1622 N1623 I1627 | L1527-A1625 HydrophobicContact CD2-CB 3.96Å; R1528-A1625 PolarHBondContact N-O 3.3Å; L1621-A1625 HydrophobicContact CB-CB 4.3Å; P1622-A1625 HydrophobicContact CG-CB 4.18Å; P1622-A1625 WeakPolarHBondContact O-CB 3.29Å; P1622-A1625 PolarHBondContact O-N 2.87Å; N1623-A1625 VanDerWaalsContact C-N 3.34Å; A1625-I1627 PolarHBondContact O-N 2.91Å |
| 1626 | L | 90.8 | Very high | 79.7 | Confident | 55 Ų | 55 | 78.9 Ų | 78.9 | 29% | 0.288 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 110.2 | 178.5 | -173.5 | 69.5 | 0 | 0 | 0 | 109.9 | R1528 L1530 P1550 H1592 N1624 | R1528-L1626 HydrophobicContact CB-CD1 4.16Å; R1528-L1626 CarbonylContact O-C 3.47Å; R1528-L1626 VanDerWaalsContact O-CA 3.32Å; R1528-L1626 WeakPolarHBondContact O-CA 3.21Å; L1530-L1626 HydrophobicContact CD1-CD1 3.77Å; L1530-L1626 HydrophobicContact CD1-CD2 4.1Å; L1530-L1626 HydrophobicContact CD1-CG 4.16Å; L1530-L1626 HydrophobicContact CG-CD1 3.89Å; P1550-L1626 HydrophobicContact CB-CD1 4.27Å; H1592-L1626 HydrophobicContact CB-CB 4.41Å; H1592-L1626 HydrophobicContact CB-CD2 4.08Å; H1592-L1626 HydrophobicContact CB-CG 4.42Å; H1592-L1626 PolarHBondContact N-O 3.5Å; N1624-L1626 PolarHBondContact O-N 3.43Å |
| 1627 | I | 92.5 | Very high | 76.7 | Confident | 0 Ų | 0 | 85.5 Ų | 85.5 | 0% | 0 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 126 | 176.8 | -56.4 | -54.9 | 0 | 0 | 0 | 108.6 | L1527 R1528 V1529 L1530 L1589 E1590 W1591 L1600 L1621 A1625 | L1527-I1627 HydrophobicContact CB-CG1 4.05Å; L1527-I1627 HydrophobicContact CD1-CG1 4.1Å; L1527-I1627 HydrophobicContact CD2-CG1 4.13Å; L1527-I1627 HydrophobicContact CG-CG1 4.31Å; R1528-I1627 PolarHBondContact O-N 3.03Å; V1529-I1627 CarbonylContact C-O 3.49Å; V1529-I1627 VanDerWaalsContact CA-O 3.22Å; V1529-I1627 WeakPolarHBondContact CA-O 3.43Å; V1529-I1627 HydrophobicContact CG2-CB 4.41Å; L1530-I1627 PolarHBondContact N-O 3.11Å; L1589-I1627 HydrophobicContact CB-CG2 3.84Å; L1589-I1627 HydrophobicContact CD1-CG2 4.49Å; L1589-I1627 HydrophobicContact CD2-CG2 3.93Å; L1589-I1627 HydrophobicContact CG-CG2 4.29Å; E1590-I1627 CarbonylContact O-C 3.32Å; E1590-I1627 WeakPolarHBondContact O-CA 3.32Å; W1591-I1627 HydrophobicContact CB-CD1 3.63Å; W1591-I1627 HydrophobicContact CG-CD1 4.05Å; L1600-I1627 HydrophobicContact CD1-CD1 4.04Å; L1621-I1627 HydrophobicContact CD1-CD1 4.29Å; L1621-I1627 HydrophobicContact CD2-CD1 4.4Å; A1625-I1627 PolarHBondContact O-N 2.91Å |
| 1628 | V | 88.8 | Confident | 73.8 | Confident | 23 Ų | 23 | 82.1 Ų | 82.1 | 14% | 0.139 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 129.1 | 172.7 | -176.2 | 0 | 0 | 0 | 0 | 108.2 | L1530 E1590 L1630 | L1530-V1628 HydrophobicContact CB-CG2 4.38Å; L1530-V1628 HydrophobicContact CD1-CG2 4.16Å; E1590-V1628 PolarHBondContact N-O 3.3Å; E1590-V1628 PolarHBondContact O-N 3.38Å; V1628-L1630 HydrophobicContact CG1-CD2 4.13Å |
| 1629 | V | 89 | Confident | 71.1 | Confident | 3 Ų | 3 | 87 Ų | 87 | 2% | 0.018 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 122.3 | 173.1 | -178.1 | 0 | 0 | 0 | 0 | 108.8 | V1529 L1530 P1532 V1568 L1572 I1587 L1589 | V1529-V1629 HydrophobicContact CG1-CG2 3.47Å; V1529-V1629 VanDerWaalsContact CG1-CG2 3.47Å; L1530-V1629 PolarHBondContact O-N 2.86Å; P1532-V1629 WeakPolarHBondContact CA-O 3.47Å; P1532-V1629 WeakPolarHBondContact CB-O 3.34Å; V1568-V1629 HydrophobicContact CG1-CG2 3.82Å; L1572-V1629 HydrophobicContact CD1-CG2 3.73Å; I1587-V1629 HydrophobicContact CB-CG1 3.89Å; I1587-V1629 HydrophobicContact CD1-CG1 4.17Å; I1587-V1629 HydrophobicContact CG2-CG1 3.79Å; L1589-V1629 HydrophobicContact CD2-CG2 3.84Å |
| 1630 | L | 85.9 | Confident | 68.1 | Low | 67 Ų | 67 | 89.7 Ų | 89.7 | 35% | 0.351 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 126.6 | 177 | -59.7 | 176.7 | 0 | 0 | 0 | 108.8 | I1587 D1588 E1590 L1599 V1628 | I1587-L1630 CarbonylContact C-O 3.59Å; I1587-L1630 VanDerWaalsContact CA-O 3.31Å; I1587-L1630 WeakPolarHBondContact CA-O 3.24Å; D1588-L1630 PolarHBondContact N-O 3.41Å; D1588-L1630 PolarHBondContact O-N 2.77Å; E1590-L1630 HydrophobicContact CB-CD1 3.86Å; E1590-L1630 HydrophobicContact CB-CG 4.3Å; L1599-L1630 HydrophobicContact CD1-CD1 4.23Å; V1628-L1630 HydrophobicContact CG1-CD2 4.13Å |
| 1631 | M | 83.5 | Confident | 65.4 | Low | 90 Ų | 90 | 85.9 Ų | 85.9 | 44% | 0.443 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 130.7 | 169.3 | -71.7 | -70.4 | -156.1 | 0 | 0 | 109.2 | P1532 P1582 I1587 T1633 | P1532-M1631 HydrophobicContact CB-CG 3.75Å; P1532-M1631 HydrophobicContact CG-CE 3.95Å; P1532-M1631 HydrophobicContact CG-CG 3.79Å; P1532-M1631 HydrophobicContact CG-SD 4.44Å; P1582-M1631 HydrophobicContact CB-CE 4.35Å; P1582-M1631 HydrophobicContact CB-SD 4.39Å; P1582-M1631 HydrophobicContact CG-CE 3.6Å; P1582-M1631 HydrophobicContact CG-SD 4.24Å; I1587-M1631 HydrophobicContact CG2-SD 4.02Å; M1631-T1633 PolarHBondContact O-N 3.05Å; M1631-T1633 VanDerWaalsContact O-N 3.08Å |
| 1632 | R | 73 | Confident | 62.6 | Low | 138 Ų | 138 | 94.1 Ų | 94.1 | 52% | 0.521 | 50% | 0.501 | S | S | . | . | trans | -70.6 | 103.8 | 169.9 | -77 | -178.3 | 170.9 | 176.1 | -5.7 | 108.9 | N1585 D1586 D1588 S1634 | N1585-R1632 WeakPolarHBondContact O-CD 3.37Å; N1585-R1632 PolarHBondContact O-NH1 3.03Å; D1586-R1632 WeakPolarHBondContact O-CB 3.18Å; D1586-R1632 PolarHBondContact O-N 2.89Å; D1588-R1632 IonicContact OD1-CZ 3.32Å; D1588-R1632 IonicContact OD1-NE 2.74Å; D1588-R1632 PolarHBondContact OD1-NE 2.8Å; D1588-R1632 IonicContact OD1-NH2 2.77Å; D1588-R1632 PolarHBondContact OD1-NH2 2.93Å; D1588-R1632 IonicContact OD2-CZ 3.63Å; D1588-R1632 IonicContact OD2-NE 3.91Å; D1588-R1632 PolarHBondContact OD2-NE 3.26Å; D1588-R1632 IonicContact OD2-NH2 2.62Å; D1588-R1632 PolarHBondContact OD2-NH2 3.31Å; R1632-S1634 PolarHBondContact O-N 3.35Å | ||
| 1633 | T | 58 | Low | 59.8 | Low | 116 Ų | 116 | 93.7 Ų | 93.7 | 71% | 0.712 | 50% | 0.5 | S | S | * | . | trans | -66.4 | 127.7 | 169.5 | 48.2 | 0 | 0 | 0 | 0 | 108.7 | M1631 S1635 | M1631-T1633 PolarHBondContact O-N 3.05Å; M1631-T1633 VanDerWaalsContact O-N 3.08Å; T1633-S1635 PolarHBondContact O-N 2.83Å | ||
| 1634 | S | 47.8 | Very low | 57.1 | Low | 124 Ų | 124 | 91.5 Ų | 91.5 | 87% | 0.867 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | 34.3 | -174.4 | 52.1 | 0 | 0 | 0 | 0 | 114.6 | R1632 | R1632-S1634 PolarHBondContact O-N 3.35Š|
| 1635 | S | 38.6 | Very low | 54.4 | Low | 92 Ų | 92 | 94.2 Ų | 94.2 | 64% | 0.643 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | -4.3 | -172.8 | -42.8 | 0 | 0 | 0 | 0 | 114.6 | T1633 T1637 | T1633-S1635 PolarHBondContact O-N 2.83Å; S1635-T1637 PolarHBondContact O-N 2.99Å |
| 1636 | Y | 34.4 | Very low | 51.8 | Low | 222 Ų | 222 | 98.1 Ų | 98.1 | 87% | 0.871 | 53% | 0.526 | S | S | * | . | trans | -94.7 | 72.8 | 168.9 | -103.3 | -89.5 | 0 | 0 | 0 | 110.7 | G1638 | Y1636-G1638 VanDerWaalsContact C-N 3.32Å; Y1636-G1638 PolarHBondContact O-N 3.35Å | ||
| 1637 | T | 29.3 | Very low | 49 | Very low | 140 Ų | 140 | 101.9 Ų | 101.9 | 86% | 0.859 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 94.6 | 157.6 | 49.8 | 0 | 0 | 0 | 0 | 108.1 | S1635 | S1635-T1637 PolarHBondContact O-N 2.99Š|
| 1638 | G | 29.3 | Very low | 46.2 | Very low | 61 Ų | 61 | 107.7 Ų | 107.7 | 63% | 0.629 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 175.8 | -19.5 | 179 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y1636 | Y1636-G1638 VanDerWaalsContact C-N 3.32Å; Y1636-G1638 PolarHBondContact O-N 3.35Å |
| 1639 | Y | 32.3 | Very low | 43.5 | Very low | 170 Ų | 170 | 115.4 Ų | 115.4 | 67% | 0.667 | 59% | 0.592 | S | S | * | * | trans | -131.7 | 82.2 | 170.9 | -91.3 | -78.3 | 0 | 0 | 0 | 109.9 | R1605 D1641 | R1605-Y1639 PolarHBondContact NH1-OH 2.72Å; Y1639-D1641 VanDerWaalsContact C-N 3.33Å; Y1639-D1641 PolarHBondContact O-N 2.75Å | ||
| 1640 | T | 27.3 | Very low | 40.7 | Very low | 101 Ų | 101 | 120.1 Ų | 120.1 | 62% | 0.62 | 62% | 0.621 | S | S | * | * | trans | -65.9 | 96.2 | 157.8 | 46 | 0 | 0 | 0 | 0 | 107.3 | Y1642 | T1640-Y1642 VanDerWaalsContact O-CD2 3.3Å; T1640-Y1642 WeakPolarHBondContact O-CD2 3.22Å; T1640-Y1642 PolarHBondContact O-N 2.8Å; T1640-Y1642 WeakPolarHBondContact OG1-CE2 3.23Å | ||
| 1641 | D | 31.2 | Very low | 37.9 | Very low | 137 Ų | 137 | 123.1 Ų | 123.1 | 73% | 0.733 | 64% | 0.636 | S | S | * | * | trans | -67.3 | 95.8 | 153.4 | -105.6 | -9.3 | 0 | 0 | 0 | 105.5 | Y1639 S1643 | Y1639-D1641 VanDerWaalsContact C-N 3.33Å; Y1639-D1641 PolarHBondContact O-N 2.75Å; D1641-S1643 PolarHBondContact O-N 2.68Å; D1641-S1643 VanDerWaalsContact O-N 3.08Å | ||
| 1642 | Y | 31 | Very low | 35.2 | Very low | 184 Ų | 184 | 123.7 Ų | 123.7 | 72% | 0.722 | 65% | 0.647 | S | S | * | * | trans | -54 | 113.1 | 179.9 | -88.1 | -95.5 | 0 | 0 | 0 | 109.3 | T1640 | T1640-Y1642 VanDerWaalsContact O-CD2 3.3Å; T1640-Y1642 WeakPolarHBondContact O-CD2 3.22Å; T1640-Y1642 PolarHBondContact O-N 2.8Å; T1640-Y1642 WeakPolarHBondContact OG1-CE2 3.23Å | ||
| 1643 | S | 26.8 | Very low | 33.2 | Very low | 57 Ų | 57 | 122.7 Ų | 122.7 | 40% | 0.399 | 67% | 0.667 | S | S | . | * | trans | 58.4 | 65.3 | 142.3 | 45 | 0 | 0 | 0 | 0 | 118.6 | D1641 | D1641-S1643 PolarHBondContact O-N 2.68Å; D1641-S1643 VanDerWaalsContact O-N 3.08Å | ||
| 1644 | S | 31 | Very low | 31.8 | Very low | 54 Ų | 54 | 128 Ų | 128 | 38% | 0.378 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -87.4 | -5.3 | 162.1 | 50.9 | 0 | 0 | 0 | 0 | 114.5 | T1646 | S1644-T1646 VanDerWaalsContact C-N 3.34Š|
| 1645 | H | 32.5 | Very low | 30.8 | Very low | 141 Ų | 141 | 129.7 Ų | 129.7 | 65% | 0.653 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -75.9 | -17.8 | 174.6 | -90.1 | -79.4 | 0 | 0 | 0 | 114.4 | N1585 | N1585-H1645 PolarHBondContact ND2-NE2 2.76Š|
| 1646 | T | 34.3 | Very low | 30.3 | Very low | 86 Ų | 86 | 129.4 Ų | 129.4 | 53% | 0.528 | 67% | 0.669 | S | S | . | * | S | Bend | trans | -89.7 | -26.9 | 179.4 | -23.7 | 0 | 0 | 0 | 0 | 112.4 | S1644 M1648 T1650 | S1644-T1646 VanDerWaalsContact C-N 3.34Å; T1646-M1648 PolarHBondContact O-N 3.43Å; T1646-T1650 PolarHBondContact O-OG1 3.28Å |
| 1647 | Y | 32.9 | Very low | 30 | Very low | 133 Ų | 133 | 125.8 Ų | 125.8 | 52% | 0.522 | 66% | 0.657 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.1 | -24.1 | -167.2 | -98 | -77.6 | 0 | 0 | 0 | 116.1 | E1669 | Y1647-E1669 WeakPolarHBondContact CE2-OE2 3.45Å; Y1647-E1669 PolarHBondContact OH-OE2 3.49Å |
| 1648 | M | 33.3 | Very low | 30 | Very low | 122 Ų | 122 | 122.8 Ų | 122.8 | 60% | 0.601 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | -20.4 | -179.8 | -82.5 | -168.6 | 176.7 | 0 | 0 | 115 | T1646 | T1646-M1648 PolarHBondContact O-N 3.43Š|
| 1649 | R | 32.9 | Very low | 29.9 | Very low | 186 Ų | 186 | 124.5 Ų | 124.5 | 70% | 0.702 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -9.8 | -175.5 | -101.5 | -178.2 | 173.7 | -152.9 | -7 | 115 | E1351 | E1351-R1649 IonicContact OE1-CZ 3.63Å; E1351-R1649 IonicContact OE1-NH1 3.56Å; E1351-R1649 PolarHBondContact OE1-NH1 3.02Å; E1351-R1649 IonicContact OE1-NH2 2.96Å; E1351-R1649 PolarHBondContact OE1-NH2 3.45Å; E1351-R1649 IonicContact OE2-CZ 3.18Å; E1351-R1649 IonicContact OE2-NH1 3.14Å; E1351-R1649 PolarHBondContact OE2-NH1 3.34Å; E1351-R1649 VanDerWaalsContact OE2-NH1 3.12Å; E1351-R1649 IonicContact OE2-NH2 2.68Å |
| 1650 | T | 29.4 | Very low | 29.9 | Very low | 101 Ų | 101 | 121.4 Ų | 121.4 | 62% | 0.62 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -115.6 | 11.3 | -169.4 | 46.4 | 0 | 0 | 0 | 0 | 115.9 | T1646 P1652 | T1646-T1650 PolarHBondContact O-OG1 3.28Å; T1650-P1652 WeakPolarHBondContact O-CD 3.48Å |
| 1651 | I | 27.7 | Very low | 30.2 | Very low | 130 Ų | 130 | 122 Ų | 122 | 67% | 0.667 | 65% | 0.651 | S | S | * | * | trans | -92.4 | 102.8 | 172.2 | -54.8 | 178.3 | 0 | 0 | 0 | 108.7 | ||||
| 1652 | P | 27.3 | Very low | 30.5 | Very low | 103 Ų | 103 | 123 Ų | 123 | 67% | 0.669 | 66% | 0.656 | S | S | * | * | trans | -65.9 | 144.2 | 173.5 | -6.4 | 25.3 | 0 | 0 | 0 | 108.2 | T1650 R1654 | T1650-P1652 WeakPolarHBondContact O-CD 3.48Å; P1652-R1654 PolarHBondContact O-N 2.87Å | ||
| 1653 | A | 30 | Very low | 30.7 | Very low | 116 Ų | 116 | 120.2 Ų | 120.2 | 96% | 0.959 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -60.7 | 49 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1654 | R | 27.8 | Very low | 31 | Very low | 227 Ų | 227 | 122.4 Ų | 122.4 | 86% | 0.857 | 67% | 0.668 | S | S | * | * | trans | -121.3 | 2.9 | -177 | -113.9 | -175.5 | -175.5 | -176.3 | 0.9 | 115.8 | P1652 S1656 | P1652-R1654 PolarHBondContact O-N 2.87Å; R1654-S1656 PolarHBondContact O-N 3.25Å; R1654-S1656 VanDerWaalsContact O-N 3.1Å | ||
| 1655 | M | 27.5 | Very low | 31.3 | Very low | 160 Ų | 160 | 126.9 Ų | 126.9 | 79% | 0.788 | 68% | 0.683 | S | S | * | * | trans | -82.1 | 89.1 | 167.8 | -95.1 | -180 | 146.7 | 0 | 0 | 110.2 | ||||
| 1656 | S | 28.4 | Very low | 31.5 | Very low | 86 Ų | 86 | 128.3 Ų | 128.3 | 60% | 0.601 | 69% | 0.69 | S | S | * | * | trans | -49.5 | 140.5 | 152 | 44 | 0 | 0 | 0 | 0 | 109.9 | R1654 S1658 | R1654-S1656 PolarHBondContact O-N 3.25Å; R1654-S1656 VanDerWaalsContact O-N 3.1Å; S1656-S1658 PolarHBondContact O-N 3.14Å; S1656-S1658 PolarHBondContact O-OG 2.8Å | ||
| 1657 | K | 28.9 | Very low | 31.5 | Very low | 146 Ų | 146 | 129 Ų | 129 | 64% | 0.635 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -58.3 | 26.6 | 176.8 | -87.2 | 174.2 | 174.3 | 157.8 | 0 | 116.3 | D1513 S1659 | D1513-K1657 VanDerWaalsContact CA-NZ 3.34Å; D1513-K1657 PolarHBondContact O-NZ 3.05Å; D1513-K1657 IonicContact OD1-NZ 3.45Å; D1513-K1657 PolarHBondContact OD1-NZ 2.95Å; K1657-S1659 PolarHBondContact O-N 3.14Å |
| 1658 | S | 28.5 | Very low | 31.6 | Very low | 78 Ų | 78 | 128.9 Ų | 128.9 | 55% | 0.545 | 71% | 0.712 | S | S | . | * | S | Bend | trans | -85.5 | 106.8 | 167.5 | 53 | 0 | 0 | 0 | 0 | 109.2 | S1656 | S1656-S1658 PolarHBondContact O-N 3.14Å; S1656-S1658 PolarHBondContact O-OG 2.8Å |
| 1659 | S | 27.8 | Very low | 32.1 | Very low | 96 Ų | 96 | 127.6 Ų | 127.6 | 67% | 0.671 | 71% | 0.705 | S | S | * | * | trans | 67.9 | 116.4 | 162.9 | -14.4 | 0 | 0 | 0 | 0 | 116.5 | K1657 | K1657-S1659 PolarHBondContact O-N 3.14Š| ||
| 1660 | P | 32 | Very low | 32.9 | Very low | 106 Ų | 106 | 121.3 Ų | 121.3 | 69% | 0.688 | 70% | 0.698 | S | S | * | * | trans | -61.7 | 143.7 | 155.5 | 5.1 | 9.9 | 0 | 0 | 0 | 108 | D1662 | P1660-D1662 PolarHBondContact O-N 2.84Š| ||
| 1661 | P | 33.4 | Very low | 34.5 | Very low | 114 Ų | 114 | 121.3 Ų | 121.3 | 74% | 0.74 | 69% | 0.69 | S | S | * | * | trans | -61.5 | 120.6 | 175 | 25.3 | -31.3 | 0 | 0 | 0 | 109.6 | N1663 | P1661-N1663 PolarHBondContact O-N 2.95Š| ||
| 1662 | D | 37.8 | Very low | 36.5 | Very low | 157 Ų | 157 | 118.8 Ų | 118.8 | 84% | 0.84 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -67.4 | 2.1 | -168.6 | -109.7 | -26.1 | 0 | 0 | 0 | 116.1 | P1660 | P1660-D1662 PolarHBondContact O-N 2.84Š|
| 1663 | N | 34.8 | Very low | 39.2 | Very low | 125 Ų | 125 | 116.9 Ų | 116.9 | 67% | 0.668 | 66% | 0.655 | S | S | * | * | trans | -137.7 | 108.7 | -174.6 | -80.8 | -17.1 | 0 | 0 | 0 | 112.4 | P1661 E1665 | P1661-N1663 PolarHBondContact O-N 2.95Å; N1663-E1665 PolarHBondContact O-N 2.81Å | ||
| 1664 | C | 32.8 | Very low | 41.8 | Very low | 104 Ų | 104 | 111.5 Ų | 111.5 | 70% | 0.703 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | 19.7 | 166.7 | -73.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1665 | E | 36.8 | Very low | 44.6 | Very low | 148 Ų | 148 | 101.9 Ų | 101.9 | 69% | 0.692 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -10.3 | -168.1 | -77.6 | -171.1 | 148.6 | 0 | 0 | 115.9 | N1663 | N1663-E1665 PolarHBondContact O-N 2.81Š|
| 1666 | H | 37 | Very low | 47.1 | Very low | 171 Ų | 171 | 96.4 Ų | 96.4 | 79% | 0.792 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -147.4 | 57.2 | -171.2 | -71.1 | -52.9 | 0 | 0 | 0 | 116.5 | ||
| 1667 | V | 33.8 | Very low | 49.1 | Very low | 100 Ų | 100 | 94.5 Ų | 94.5 | 61% | 0.606 | 53% | 0.534 | S | S | * | . | trans | -147.2 | 125.6 | 151.6 | -172.8 | 0 | 0 | 0 | 0 | 108.8 | E1669 | V1667-E1669 PolarHBondContact O-N 3.37Š| ||
| 1668 | S | 36.3 | Very low | 50.7 | Low | 131 Ų | 131 | 92.1 Ų | 92.1 | 92% | 0.916 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -70.9 | 27.5 | -169.9 | -51.5 | 0 | 0 | 0 | 0 | 116.1 | ||
| 1669 | E | 43.3 | Very low | 52.2 | Low | 94 Ų | 94 | 94 Ų | 94 | 44% | 0.439 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -134.9 | 117.7 | -176.4 | -68.6 | -179.1 | 169.4 | 0 | 0 | 109.8 | Y1647 V1667 H1671 | Y1647-E1669 WeakPolarHBondContact CE2-OE2 3.45Å; Y1647-E1669 PolarHBondContact OH-OE2 3.49Å; V1667-E1669 PolarHBondContact O-N 3.37Å; E1669-H1671 PolarHBondContact O-N 2.96Å |
| 1670 | G | 48.8 | Very low | 53.2 | Low | 54 Ų | 54 | 92.8 Ų | 92.8 | 56% | 0.557 | 53% | 0.529 | S | S | * | . | trans | -52.4 | 130.1 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | F1672 | G1670-F1672 VanDerWaalsContact O-CD2 3.29Å; G1670-F1672 WeakPolarHBondContact O-CD2 3.48Å; G1670-F1672 PolarHBondContact O-N 2.83Å | ||
| 1671 | H | 63.6 | Low | 53.9 | Low | 101 Ų | 101 | 97.2 Ų | 97.2 | 47% | 0.468 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 121.7 | 176.3 | -74.6 | -65.7 | 0 | 0 | 0 | 109.9 | C1610 G1611 E1669 | C1610-H1671 WeakPolarHBondContact CA-O 3.49Å; G1611-H1671 PolarHBondContact N-O 2.87Å; E1669-H1671 PolarHBondContact O-N 2.96Å |
| 1672 | F | 70.3 | Confident | 54.4 | Low | 78 Ų | 78 | 102.1 Ų | 102.1 | 34% | 0.342 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 149.2 | 172.9 | -65.4 | -88.3 | 0 | 0 | 0 | 110.9 | H1603 G1611 L1613 G1670 | H1603-F1672 HydrophobicContact CB-CE1 3.78Å; H1603-F1672 HydrophobicContact CB-CZ 4.48Å; H1603-F1672 AromaticContact CG-CE1 3.74Å; H1603-F1672 AromaticContact CG-CZ 3.94Å; G1611-F1672 WeakPolarHBondContact O-CA 3.43Å; G1611-F1672 WeakPolarHBondContact O-CD1 3.4Å; L1613-F1672 HydrophobicContact CD2-CB 3.72Å; L1613-F1672 HydrophobicContact CD2-CD1 3.83Å; L1613-F1672 HydrophobicContact CD2-CG 3.89Å; L1613-F1672 HydrophobicContact CG-CB 4.19Å; G1670-F1672 VanDerWaalsContact O-CD2 3.29Å; G1670-F1672 WeakPolarHBondContact O-CD2 3.48Å; G1670-F1672 PolarHBondContact O-N 2.83Å |
| 1673 | W | 82.8 | Confident | 54 | Low | 63 Ų | 63 | 100.3 Ų | 100.3 | 24% | 0.239 | 54% | 0.539 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 155.8 | 172.6 | 63.8 | -86.3 | 0 | 0 | 0 | 111.1 | G1611 R1612 L1613 P1677 | G1611-W1673 PolarHBondContact O-N 3.23Å; G1611-W1673 VanDerWaalsContact O-N 3.1Å; R1612-W1673 WeakPolarHBondContact CA-O 3.43Å; R1612-W1673 HydrophobicContact CB-CD2 4.2Å; R1612-W1673 HydrophobicContact CB-CH2 4.13Å; R1612-W1673 HydrophobicContact CB-CZ2 3.66Å; R1612-W1673 VanDerWaalsContact CD-CZ3 3.46Å; R1612-W1673 HydrophobicContact CG-CD2 3.92Å; R1612-W1673 HydrophobicContact CG-CE3 3.84Å; R1612-W1673 HydrophobicContact CG-CH2 3.65Å; R1612-W1673 HydrophobicContact CG-CZ2 3.7Å; R1612-W1673 HydrophobicContact CG-CZ3 3.71Å; L1613-W1673 PolarHBondContact N-O 2.96Å; W1673-P1677 HydrophobicContact CE3-CB 4.28Å; W1673-P1677 HydrophobicContact CE3-CG 4.34Å; W1673-P1677 HydrophobicContact CH2-CG 4.4Å; W1673-P1677 HydrophobicContact CZ3-CB 4.28Å; W1673-P1677 HydrophobicContact CZ3-CG 3.99Å |
| 1674 | H | 86.1 | Confident | 53.8 | Low | 3 Ų | 3 | 98.3 Ų | 98.3 | 1% | 0.014 | 55% | 0.548 | C | S | . | . | S | Bend | trans | -113.9 | -85.4 | -178.6 | -175.3 | -141.8 | 0 | 0 | 0 | 112.7 | I1499 A1501 V1502 C1558 A1560 Q1563 L1613 T1615 | I1499-H1674 PolarHBondContact O-ND1 2.82Å; A1501-H1674 HydrophobicContact CB-CB 3.99Å; A1501-H1674 PolarHBondContact N-ND1 2.83Å; V1502-H1674 HydrophobicContact CG2-CB 4.3Å; C1558-H1674 PolarHBondContact O-CE1 3.25Å; C1558-H1674 PolarHBondContact O-NE2 3.41Å; A1560-H1674 PolarHBondContact N-NE2 2.83Å; Q1563-H1674 PolarHBondContact OE1-CE1 3.38Å; L1613-H1674 HydrophobicContact CD1-CB 4.26Å; T1615-H1674 WeakPolarHBondContact CG2-NE2 3.26Å |
| 1675 | L | 86.1 | Confident | 53.9 | Low | 25 Ų | 25 | 99.3 Ų | 99.3 | 13% | 0.131 | 55% | 0.551 | C | S | . | * | S | Bend | trans | -96.3 | -35.2 | -178.4 | -58.7 | -179.8 | 0 | 0 | 0 | 111.1 | P1498 D1500 L1516 V1520 C1558 P1677 | P1498-L1675 HydrophobicContact CB-CD1 3.73Å; D1500-L1675 HydrophobicContact CB-CB 4.39Å; D1500-L1675 WeakPolarHBondContact OD2-CA 3.33Å; D1500-L1675 PolarHBondContact OD2-N 2.88Å; L1516-L1675 HydrophobicContact CD2-CD1 3.96Å; V1520-L1675 HydrophobicContact CG1-CD1 4.34Å; V1520-L1675 HydrophobicContact CG1-CD2 4.04Å; V1520-L1675 HydrophobicContact CG2-CB 4.26Å; V1520-L1675 HydrophobicContact CG2-CD1 4.29Å; C1558-L1675 HydrophobicContact CB-CD2 4.04Å; L1675-P1677 WeakPolarHBondContact O-CD 3.49Å |
| 1676 | I | 78.9 | Confident | 53.5 | Low | 44 Ų | 44 | 96.1 Ų | 96.1 | 23% | 0.226 | 56% | 0.558 | C | S | . | * | S | Bend | trans | -97.7 | 112.3 | -178.5 | -55 | 167.3 | 0 | 0 | 0 | 109.3 | D1500 T1503 L1516 | D1500-I1676 HydrophobicContact CB-CD1 4.37Å; D1500-I1676 PolarHBondContact OD2-N 2.8Å; T1503-I1676 HydrophobicContact CG2-CD1 4.22Å; L1516-I1676 HydrophobicContact CD1-CD1 3.77Å; L1516-I1676 HydrophobicContact CD1-CG1 3.89Å |
| 1677 | P | 71 | Confident | 53.4 | Low | 47 Ų | 47 | 92.8 Ų | 92.8 | 31% | 0.305 | 55% | 0.554 | S | S | . | * | trans | -69.6 | 146.3 | 174.1 | -11.7 | 26.6 | 0 | 0 | 0 | 110.9 | W1673 L1675 D1679 | W1673-P1677 HydrophobicContact CE3-CB 4.28Å; W1673-P1677 HydrophobicContact CE3-CG 4.34Å; W1673-P1677 HydrophobicContact CH2-CG 4.4Å; W1673-P1677 HydrophobicContact CZ3-CB 4.28Å; W1673-P1677 HydrophobicContact CZ3-CG 3.99Å; L1675-P1677 WeakPolarHBondContact O-CD 3.49Å; P1677-D1679 PolarHBondContact O-N 2.99Å | ||
| 1678 | P | 62.4 | Low | 53.7 | Low | 95 Ų | 95 | 92.7 Ų | 92.7 | 62% | 0.617 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -16.6 | 179.9 | 20.5 | -30 | 0 | 0 | 0 | 114.6 | ||
| 1679 | D | 59.5 | Low | 54.1 | Low | 117 Ų | 117 | 92 Ų | 92 | 63% | 0.626 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | 16.2 | -171.2 | -108.3 | -22.4 | 0 | 0 | 0 | 116 | P1677 K1681 R1682 | P1677-D1679 PolarHBondContact O-N 2.99Å; D1679-K1681 PolarHBondContact O-N 3.21Å; D1679-R1682 PolarHBondContact O-N 3.46Å; D1679-R1682 VanDerWaalsContact O-N 3.15Å |
| 1680 | S | 49.9 | Very low | 54.5 | Low | 71 Ų | 71 | 90.6 Ų | 90.6 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -1.5 | -174.9 | 66.9 | 0 | 0 | 0 | 0 | 115.7 | E1518 | E1518-S1680 WeakPolarHBondContact OE1-CB 3.36Å; E1518-S1680 PolarHBondContact OE1-OG 3.31Å; E1518-S1680 VanDerWaalsContact OE1-OG 3.07Å |
| 1681 | K | 47.5 | Very low | 54.9 | Low | 199 Ų | 199 | 92.1 Ų | 92.1 | 87% | 0.865 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -8.4 | 174.4 | -72.8 | -174.3 | 179 | 177 | 0 | 116.4 | D1679 | D1679-K1681 PolarHBondContact O-N 3.21Š|
| 1682 | R | 42.6 | Very low | 54.6 | Low | 217 Ų | 217 | 91.6 Ų | 91.6 | 82% | 0.819 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.6 | -13.9 | -173.3 | -84.6 | -177.4 | 176.9 | 175.1 | 2.8 | 117.4 | D1679 G1684 | D1679-R1682 PolarHBondContact O-N 3.46Å; D1679-R1682 VanDerWaalsContact O-N 3.15Å; R1682-G1684 PolarHBondContact O-N 3.01Å; R1682-G1684 VanDerWaalsContact O-N 3.15Å |
| 1683 | C | 30.9 | Very low | 54.2 | Low | 119 Ų | 119 | 93.8 Ų | 93.8 | 80% | 0.804 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -88.5 | 83.6 | 178 | -91.2 | 0 | 0 | 0 | 0 | 113.5 | T1685 | C1683-T1685 VanDerWaalsContact C-N 3.27Å; C1683-T1685 PolarHBondContact O-N 3.43Å |
| 1684 | G | 29.2 | Very low | 53.2 | Low | 83 Ų | 83 | 92.6 Ų | 92.6 | 86% | 0.856 | 56% | 0.559 | S | S | * | * | S | Bend | trans | 29.3 | 1.7 | 138.2 | 0 | 0 | 0 | 0 | 0 | 125.9 | R1682 | R1682-G1684 PolarHBondContact O-N 3.01Å; R1682-G1684 VanDerWaalsContact O-N 3.15Å |
| 1685 | T | 34.7 | Very low | 52.5 | Low | 126 Ų | 126 | 93.9 Ų | 93.9 | 77% | 0.773 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -114.1 | 107.7 | 171.1 | 50.3 | 0 | 0 | 0 | 0 | 108.7 | C1683 S1687 | C1683-T1685 VanDerWaalsContact C-N 3.27Å; C1683-T1685 PolarHBondContact O-N 3.43Å; T1685-S1687 PolarHBondContact O-N 2.73Å |
| 1686 | G | 28.2 | Very low | 52.1 | Low | 81 Ų | 81 | 95.6 Ų | 95.6 | 84% | 0.835 | 57% | 0.574 | S | S | * | * | trans | -53.8 | 93.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | P1688 | G1686-P1688 WeakPolarHBondContact O-CD 3.12Š| ||
| 1687 | S | 36.2 | Very low | 51.9 | Low | 101 Ų | 101 | 95.2 Ų | 95.2 | 71% | 0.706 | 57% | 0.573 | S | S | * | * | trans | -74 | 111.9 | 152.9 | 167.3 | 0 | 0 | 0 | 0 | 106 | T1685 S1689 | T1685-S1687 PolarHBondContact O-N 2.73Å; S1687-S1689 PolarHBondContact O-N 3.48Å | ||
| 1688 | P | 39.7 | Very low | 52.4 | Low | 97 Ų | 97 | 93.9 Ų | 93.9 | 63% | 0.63 | 56% | 0.562 | S | S | * | * | trans | -61.2 | 132.3 | 179.3 | 26.5 | -31.5 | 0 | 0 | 0 | 107.5 | G1686 T1690 | G1686-P1688 WeakPolarHBondContact O-CD 3.12Å; P1688-T1690 VanDerWaalsContact C-N 3.32Å; P1688-T1690 PolarHBondContact O-N 2.82Å | ||
| 1689 | S | 44.7 | Very low | 53.5 | Low | 117 Ų | 117 | 89.5 Ų | 89.5 | 82% | 0.818 | 53% | 0.533 | S | S | * | . | trans | -48 | 102.9 | 168.1 | 52.8 | 0 | 0 | 0 | 0 | 108 | S1687 I1691 | S1687-S1689 PolarHBondContact O-N 3.48Å; S1689-I1691 PolarHBondContact O-N 3.1Å | ||
| 1690 | T | 51.9 | Low | 54.7 | Low | 65 Ų | 65 | 87.7 Ų | 87.7 | 40% | 0.399 | 52% | 0.524 | S | S | . | . | trans | -64.3 | 123 | -175.6 | 26.7 | 0 | 0 | 0 | 0 | 107.3 | P1688 Y1695 | P1688-T1690 VanDerWaalsContact C-N 3.32Å; P1688-T1690 PolarHBondContact O-N 2.82Å; T1690-Y1695 WeakPolarHBondContact OG1-CE2 3.3Å; T1690-Y1695 PolarHBondContact OG1-OH 3.02Å | ||
| 1691 | I | 55.8 | Low | 56.2 | Low | 86 Ų | 86 | 84.4 Ų | 84.4 | 44% | 0.441 | 50% | 0.501 | S | S | . | . | trans | -47.5 | 123.5 | 179.3 | -63.2 | 168.5 | 0 | 0 | 0 | 107.5 | S1689 E1693 V1694 | S1689-I1691 PolarHBondContact O-N 3.1Å; I1691-E1693 HydrophobicContact CG2-CB 3.77Å; I1691-E1693 VanDerWaalsContact CG2-CD 3.48Å; I1691-E1693 HydrophobicContact CG2-CG 4.12Å; I1691-E1693 WeakPolarHBondContact CG2-OE2 3.45Å; I1691-E1693 PolarHBondContact O-N 3.35Å; I1691-V1694 HydrophobicContact CB-CG2 4.06Å; I1691-V1694 WeakPolarHBondContact O-CB 3.09Å; I1691-V1694 WeakPolarHBondContact O-CG2 3.16Å; I1691-V1694 PolarHBondContact O-N 2.76Å | ||
| 1692 | P | 57.7 | Low | 58.1 | Low | 90 Ų | 90 | 75 Ų | 75 | 58% | 0.584 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -46.9 | -31.2 | 179.7 | -28.4 | 32.3 | 0 | 0 | 0 | 113.6 | V1694 Y1695 L1696 | P1692-V1694 VanDerWaalsContact C-N 3.25Å; P1692-V1694 PolarHBondContact O-N 3.49Å; P1692-Y1695 WeakPolarHBondContact O-CB 3.44Å; P1692-Y1695 PolarHBondContact O-N 3.1Å; P1692-L1696 PolarHBondContact O-N 3.4Å |
| 1693 | E | 62 | Low | 60.3 | Low | 124 Ų | 124 | 65.9 Ų | 65.9 | 58% | 0.579 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -63.3 | -24.3 | 177 | -59.6 | 84 | 151.6 | 0 | 0 | 113.2 | I1691 Y1695 L1696 | I1691-E1693 HydrophobicContact CG2-CB 3.77Å; I1691-E1693 VanDerWaalsContact CG2-CD 3.48Å; I1691-E1693 HydrophobicContact CG2-CG 4.12Å; I1691-E1693 WeakPolarHBondContact CG2-OE2 3.45Å; I1691-E1693 PolarHBondContact O-N 3.35Å; E1693-Y1695 VanDerWaalsContact C-N 3.32Å; E1693-L1696 WeakPolarHBondContact O-CB 3.37Å; E1693-L1696 PolarHBondContact O-N 2.83Å |
| 1694 | V | 62.9 | Low | 62.8 | Low | 37 Ų | 37 | 62 Ų | 62 | 22% | 0.224 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -69 | -31.5 | 170.9 | -174 | 0 | 0 | 0 | 0 | 111.1 | I1691 P1692 T1697 | I1691-V1694 HydrophobicContact CB-CG2 4.06Å; I1691-V1694 WeakPolarHBondContact O-CB 3.09Å; I1691-V1694 WeakPolarHBondContact O-CG2 3.16Å; I1691-V1694 PolarHBondContact O-N 2.76Å; P1692-V1694 VanDerWaalsContact C-N 3.25Å; P1692-V1694 PolarHBondContact O-N 3.49Å; V1694-T1697 PolarHBondContact O-OG1 3.46Å |
| 1695 | Y | 71.4 | Confident | 65.4 | Low | 30 Ų | 30 | 59 Ų | 59 | 12% | 0.118 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -81.4 | -20.9 | 178.1 | -62.1 | -61.4 | 0 | 0 | 0 | 112.8 | L1515 K1517 T1690 P1692 E1693 T1697 R1698 L1699 | L1515-Y1695 HydrophobicContact CD2-CD1 4.15Å; L1515-Y1695 HydrophobicContact CD2-CG 4.2Å; K1517-Y1695 HydrophobicContact CB-CE1 4.07Å; K1517-Y1695 HydrophobicContact CG-CE1 4.34Å; K1517-Y1695 WeakPolarHBondContact O-CE1 3.43Å; K1517-Y1695 PolarHBondContact O-OH 2.88Å; T1690-Y1695 WeakPolarHBondContact OG1-CE2 3.3Å; T1690-Y1695 PolarHBondContact OG1-OH 3.02Å; P1692-Y1695 WeakPolarHBondContact O-CB 3.44Å; P1692-Y1695 PolarHBondContact O-N 3.1Å; E1693-Y1695 VanDerWaalsContact C-N 3.32Å; Y1695-T1697 PolarHBondContact O-N 2.98Å; Y1695-R1698 PolarHBondContact O-N 3.07Å; Y1695-R1698 VanDerWaalsContact O-N 3.13Å; Y1695-L1699 PolarHBondContact O-N 3.44Å; Y1695-L1699 VanDerWaalsContact O-N 3.13Å |
| 1696 | L | 76.4 | Confident | 68 | Low | 62 Ų | 62 | 53 Ų | 53 | 33% | 0.325 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.1 | -33.6 | 176.2 | -170.4 | 67.7 | 0 | 0 | 0 | 111.5 | P1692 E1693 R1698 L1699 L1700 | P1692-L1696 PolarHBondContact O-N 3.4Å; E1693-L1696 WeakPolarHBondContact O-CB 3.37Å; E1693-L1696 PolarHBondContact O-N 2.83Å; L1696-R1698 VanDerWaalsContact C-N 3.33Å; L1696-R1698 PolarHBondContact O-N 2.85Å; L1696-L1699 PolarHBondContact O-N 3.1Å; L1696-L1700 HydrophobicContact CD1-CG 4.49Å; L1696-L1700 HydrophobicContact CD2-CD1 4.29Å; L1696-L1700 HydrophobicContact CG-CD1 3.89Å; L1696-L1700 HydrophobicContact CG-CG 4.2Å; L1696-L1700 VanDerWaalsContact O-CB 3.28Å; L1696-L1700 WeakPolarHBondContact O-CB 3.44Å; L1696-L1700 VanDerWaalsContact O-CG 3.23Å; L1696-L1700 WeakPolarHBondContact O-CG 3.33Å; L1696-L1700 PolarHBondContact O-N 2.95Å |
| 1697 | T | 74.8 | Confident | 70.9 | Confident | 36 Ų | 36 | 50.4 Ų | 50.4 | 22% | 0.221 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.1 | -38.1 | 175.4 | 58.2 | 0 | 0 | 0 | 0 | 111.8 | V1694 Y1695 L1700 S1701 | V1694-T1697 PolarHBondContact O-OG1 3.46Å; Y1695-T1697 PolarHBondContact O-N 2.98Å; T1697-L1700 PolarHBondContact O-N 2.83Å; T1697-S1701 WeakPolarHBondContact O-CB 3.47Å; T1697-S1701 PolarHBondContact O-N 3.1Å |
| 1698 | R | 81.6 | Confident | 73.4 | Confident | 18 Ų | 18 | 51 Ų | 51 | 7% | 0.068 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.9 | -41.8 | 176 | -60.8 | -177.3 | -176.8 | 179 | -0.3 | 112.1 | E1311 L1515 L1516 Y1695 L1696 T1702 | E1311-R1698 IonicContact OE1-CZ 2.78Å; E1311-R1698 IonicContact OE1-NE 3.46Å; E1311-R1698 IonicContact OE1-NH2 2.64Å; E1311-R1698 PolarHBondContact OE1-NH2 3.35Å; E1311-R1698 IonicContact OE2-NE 3.25Å; E1311-R1698 PolarHBondContact OE2-NE 3.12Å; E1311-R1698 IonicContact OE2-NH2 3.45Å; L1515-R1698 HydrophobicContact CD1-CB 4.39Å; L1516-R1698 PolarHBondContact O-NH1 3.41Å; Y1695-R1698 PolarHBondContact O-N 3.07Å; Y1695-R1698 VanDerWaalsContact O-N 3.13Å; L1696-R1698 VanDerWaalsContact C-N 3.33Å; L1696-R1698 PolarHBondContact O-N 2.85Å; R1698-T1702 WeakPolarHBondContact O-CB 3.42Å; R1698-T1702 PolarHBondContact O-N 2.96Å; R1698-T1702 PolarHBondContact O-OG1 3.21Å |
| 1699 | L | 86.6 | Confident | 75.8 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 174.6 | -64 | 177.7 | 0 | 0 | 0 | 111.3 | S1509 E1512 L1515 Y1695 L1696 T1702 K1703 L1817 | S1509-L1699 WeakPolarHBondContact O-CD2 3.26Å; E1512-L1699 HydrophobicContact CB-CD1 4.35Å; L1515-L1699 HydrophobicContact CD1-CD2 4.14Å; L1515-L1699 HydrophobicContact CD2-CD2 4.13Å; L1515-L1699 HydrophobicContact CD2-CG 4.24Å; Y1695-L1699 PolarHBondContact O-N 3.44Å; Y1695-L1699 VanDerWaalsContact O-N 3.13Å; L1696-L1699 PolarHBondContact O-N 3.1Å; L1699-T1702 PolarHBondContact O-N 3.22Å; L1699-K1703 WeakPolarHBondContact O-CB 3.47Å; L1699-K1703 PolarHBondContact O-N 3.29Å; L1699-L1817 HydrophobicContact CB-CD1 3.58Å |
| 1700 | L | 84.6 | Confident | 78.1 | Confident | 80 Ų | 80 | 41.3 Ų | 41.3 | 42% | 0.419 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -69.5 | -37.4 | 177.8 | -73.7 | 172.5 | 0 | 0 | 0 | 112.6 | L1696 T1697 K1703 G1704 L1817 | L1696-L1700 HydrophobicContact CD1-CG 4.49Å; L1696-L1700 HydrophobicContact CD2-CD1 4.29Å; L1696-L1700 HydrophobicContact CG-CD1 3.89Å; L1696-L1700 HydrophobicContact CG-CG 4.2Å; L1696-L1700 VanDerWaalsContact O-CB 3.28Å; L1696-L1700 WeakPolarHBondContact O-CB 3.44Å; L1696-L1700 VanDerWaalsContact O-CG 3.23Å; L1696-L1700 WeakPolarHBondContact O-CG 3.33Å; L1696-L1700 PolarHBondContact O-N 2.95Å; T1697-L1700 PolarHBondContact O-N 2.83Å; L1700-K1703 PolarHBondContact O-N 2.89Å; L1700-G1704 PolarHBondContact O-N 3.5Å; L1700-L1817 HydrophobicContact CD2-CD1 4.36Å |
| 1701 | S | 80.8 | Confident | 80 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.014 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.9 | -50 | 172.1 | 176.7 | 0 | 0 | 0 | 0 | 110.1 | T1697 K1703 G1704 T1705 | T1697-S1701 WeakPolarHBondContact O-CB 3.47Å; T1697-S1701 PolarHBondContact O-N 3.1Å; S1701-K1703 PolarHBondContact O-N 3.07Å; S1701-G1704 PolarHBondContact O-N 2.79Å; S1701-G1704 VanDerWaalsContact O-N 3.13Å; S1701-T1705 PolarHBondContact O-N 2.93Å; S1701-T1705 PolarHBondContact O-OG1 2.82Å; S1701-T1705 VanDerWaalsContact O-OG1 3.05Å |
| 1702 | T | 87.2 | Confident | 81.6 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.3 | -44.6 | 177.1 | -52.6 | 0 | 0 | 0 | 0 | 111.7 | Q1493 L1510 R1698 L1699 T1705 V1706 | Q1493-T1702 HydrophobicContact CG-CG2 3.85Å; L1510-T1702 HydrophobicContact CD2-CG2 3.85Å; L1510-T1702 HydrophobicContact CG-CG2 4.19Å; R1698-T1702 WeakPolarHBondContact O-CB 3.42Å; R1698-T1702 PolarHBondContact O-N 2.96Å; R1698-T1702 PolarHBondContact O-OG1 3.21Å; L1699-T1702 PolarHBondContact O-N 3.22Å; T1702-T1705 PolarHBondContact O-N 2.81Å; T1702-V1706 WeakPolarHBondContact O-CG2 3.37Å; T1702-V1706 PolarHBondContact O-N 3.14Å |
| 1703 | K | 88.2 | Confident | 83.3 | Confident | 25 Ų | 25 | 34.9 Ų | 34.9 | 11% | 0.109 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.1 | -49.9 | 172.7 | 178.7 | -166.4 | 163.9 | -172.9 | 0 | 111 | L1510 L1699 L1700 S1701 T1705 V1706 Q1707 L1817 F1818 D1821 | L1510-K1703 HydrophobicContact CD2-CB 3.96Å; L1699-K1703 WeakPolarHBondContact O-CB 3.47Å; L1699-K1703 PolarHBondContact O-N 3.29Å; L1700-K1703 PolarHBondContact O-N 2.89Å; S1701-K1703 PolarHBondContact O-N 3.07Å; K1703-T1705 VanDerWaalsContact C-N 3.29Å; K1703-T1705 PolarHBondContact O-N 3.09Å; K1703-V1706 CarbonylContact O-C 3.55Å; K1703-V1706 PolarHBondContact O-N 2.97Å; K1703-V1706 VanDerWaalsContact O-N 3.14Å; K1703-Q1707 WeakPolarHBondContact O-CA 3.4Å; K1703-Q1707 VanDerWaalsContact O-CB 3.32Å; K1703-Q1707 WeakPolarHBondContact O-CB 3.24Å; K1703-Q1707 PolarHBondContact O-N 2.94Å; K1703-L1817 HydrophobicContact CB-CD2 4.09Å; K1703-L1817 HydrophobicContact CB-CG 4.16Å; K1703-L1817 HydrophobicContact CD-CG 3.97Å; K1703-L1817 VanDerWaalsContact CD-O 3.22Å; K1703-L1817 WeakPolarHBondContact CD-O 3.31Å; K1703-L1817 WeakPolarHBondContact CE-O 3.44Å; K1703-L1817 HydrophobicContact CG-CD2 4.49Å; K1703-L1817 HydrophobicContact CG-CG 4.41Å; K1703-L1817 PolarHBondContact NZ-O 3.01Å; K1703-F1818 HydrophobicContact CD-CD1 4.44Å; K1703-F1818 HydrophobicContact CD-CE1 4.26Å; K1703-F1818 HydrophobicContact CG-CE1 4.05Å; K1703-F1818 HydrophobicContact CG-CZ 4.19Å; K1703-D1821 VanDerWaalsContact CE-OD2 3.23Å; K1703-D1821 WeakPolarHBondContact CE-OD2 3.28Å; K1703-D1821 IonicContact NZ-OD1 3.07Å; K1703-D1821 IonicContact NZ-OD2 3.22Å; K1703-D1821 PolarHBondContact NZ-OD2 2.85Å |
| 1704 | G | 84.8 | Confident | 84.8 | Confident | 38 Ų | 38 | 29 Ų | 29 | 39% | 0.392 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -56.5 | -42.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1700 S1701 | L1700-G1704 PolarHBondContact O-N 3.5Å; S1701-G1704 PolarHBondContact O-N 2.79Å; S1701-G1704 VanDerWaalsContact O-N 3.13Å |
| 1705 | T | 84.3 | Confident | 86.1 | Confident | 19 Ų | 19 | 29.5 Ų | 29.5 | 12% | 0.117 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.6 | -34 | 177.8 | -46.6 | 0 | 0 | 0 | 0 | 113.3 | M1323 Q1493 S1701 T1702 K1703 | M1323-T1705 HydrophobicContact CG-CG2 3.67Å; M1323-T1705 HydrophobicContact SD-CG2 4.01Å; Q1493-T1705 PolarHBondContact NE2-OG1 3.32Å; S1701-T1705 PolarHBondContact O-N 2.93Å; S1701-T1705 PolarHBondContact O-OG1 2.82Å; S1701-T1705 VanDerWaalsContact O-OG1 3.05Å; T1702-T1705 PolarHBondContact O-N 2.81Å; K1703-T1705 VanDerWaalsContact C-N 3.29Å; K1703-T1705 PolarHBondContact O-N 3.09Å |
| 1706 | V | 88.5 | Confident | 87 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -102.1 | -2.2 | -176.8 | -53.4 | 0 | 0 | 0 | 0 | 114.6 | L1490 Q1493 L1510 T1702 K1703 Q1708 F1709 V1710 | L1490-V1706 HydrophobicContact CD2-CB 4.37Å; L1490-V1706 HydrophobicContact CD2-CG1 4.25Å; L1490-V1706 HydrophobicContact CD2-CG2 4.07Å; Q1493-V1706 HydrophobicContact CB-CG1 4.03Å; Q1493-V1706 HydrophobicContact CG-CG1 4.14Å; L1510-V1706 HydrophobicContact CD1-CG2 3.96Å; L1510-V1706 HydrophobicContact CD2-CG2 4.02Å; L1510-V1706 HydrophobicContact CG-CG2 4.37Å; T1702-V1706 WeakPolarHBondContact O-CG2 3.37Å; T1702-V1706 PolarHBondContact O-N 3.14Å; K1703-V1706 CarbonylContact O-C 3.55Å; K1703-V1706 PolarHBondContact O-N 2.97Å; K1703-V1706 VanDerWaalsContact O-N 3.14Å; V1706-Q1708 VanDerWaalsContact C-N 3.32Å; V1706-Q1708 PolarHBondContact O-N 2.88Å; V1706-F1709 PolarHBondContact O-N 2.62Å; V1706-F1709 VanDerWaalsContact O-N 3.11Å; V1706-V1710 PolarHBondContact O-N 2.96Å |
| 1707 | Q | 89.6 | Confident | 87.7 | Confident | 27 Ų | 27 | 26.6 Ų | 26.6 | 13% | 0.126 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55.8 | -43.1 | -172.9 | -179.7 | 62.3 | 49.8 | 0 | 0 | 112.5 | K1703 F1709 V1710 D1711 Y1825 | K1703-Q1707 WeakPolarHBondContact O-CA 3.4Å; K1703-Q1707 VanDerWaalsContact O-CB 3.32Å; K1703-Q1707 WeakPolarHBondContact O-CB 3.24Å; K1703-Q1707 PolarHBondContact O-N 2.94Å; Q1707-F1709 VanDerWaalsContact C-N 3.33Å; Q1707-F1709 PolarHBondContact O-N 3.42Å; Q1707-V1710 PolarHBondContact O-N 3.21Å; Q1707-D1711 PolarHBondContact NE2-OD1 3.38Å; Q1707-D1711 PolarHBondContact NE2-OD2 3.41Å; Q1707-D1711 VanDerWaalsContact O-CG 3.3Å; Q1707-D1711 PolarHBondContact O-N 2.82Å; Q1707-Y1825 PolarHBondContact NE2-OH 3.1Å |
| 1708 | Q | 87.9 | Confident | 88.4 | Confident | 112 Ų | 112 | 25.1 Ų | 25.1 | 52% | 0.523 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -60.5 | -42.2 | 179.8 | -176.6 | 177.1 | -2.5 | 0 | 0 | 111.7 | V1706 V1710 D1711 D1712 | V1706-Q1708 VanDerWaalsContact C-N 3.32Å; V1706-Q1708 PolarHBondContact O-N 2.88Å; Q1708-V1710 VanDerWaalsContact C-N 3.32Å; Q1708-V1710 PolarHBondContact O-N 3.4Å; Q1708-D1711 PolarHBondContact O-N 3.5Å; Q1708-D1712 WeakPolarHBondContact O-CB 3.26Å; Q1708-D1712 PolarHBondContact O-N 3.19Å |
| 1709 | F | 90.8 | Very high | 88.8 | Confident | 12 Ų | 12 | 28.2 Ų | 28.2 | 5% | 0.053 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68 | -31.6 | 178.7 | -57.2 | -82.4 | 0 | 0 | 0 | 112.6 | M1323 L1485 L1486 A1489 V1706 Q1707 F1713 | M1323-F1709 HydrophobicContact CB-CE2 3.92Å; M1323-F1709 HydrophobicContact CB-CZ 4.03Å; M1323-F1709 HydrophobicContact CG-CE2 4.25Å; M1323-F1709 HydrophobicContact SD-CD2 4.33Å; M1323-F1709 HydrophobicContact SD-CE2 3.51Å; M1323-F1709 VanDerWaalsContact SD-CE2 3.51Å; M1323-F1709 HydrophobicContact SD-CZ 4.15Å; L1485-F1709 HydrophobicContact CB-CD1 4.03Å; L1485-F1709 HydrophobicContact CB-CE1 4.48Å; L1485-F1709 HydrophobicContact CD2-CE1 4.33Å; L1486-F1709 HydrophobicContact CB-CB 4.34Å; L1486-F1709 HydrophobicContact CD1-CB 4.06Å; A1489-F1709 HydrophobicContact CB-CB 4.26Å; A1489-F1709 HydrophobicContact CB-CD1 4.01Å; A1489-F1709 HydrophobicContact CB-CD2 3.49Å; A1489-F1709 VanDerWaalsContact CB-CD2 3.49Å; A1489-F1709 HydrophobicContact CB-CE1 4.19Å; A1489-F1709 HydrophobicContact CB-CE2 3.71Å; A1489-F1709 HydrophobicContact CB-CG 3.64Å; A1489-F1709 HydrophobicContact CB-CZ 4.05Å; V1706-F1709 PolarHBondContact O-N 2.62Å; V1706-F1709 VanDerWaalsContact O-N 3.11Å; Q1707-F1709 VanDerWaalsContact C-N 3.33Å; Q1707-F1709 PolarHBondContact O-N 3.42Å; F1709-F1713 VanDerWaalsContact O-CB 3.32Å; F1709-F1713 WeakPolarHBondContact O-CB 3.09Å; F1709-F1713 PolarHBondContact O-N 2.78Å; F1709-F1713 VanDerWaalsContact O-N 3.15Å |
| 1710 | V | 92.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.5 | -44 | 172.6 | 177.6 | 0 | 0 | 0 | 0 | 110.5 | L1486 V1706 Q1707 Q1708 F1713 I1714 V1792 F1818 | L1486-V1710 HydrophobicContact CD1-CG2 3.67Å; V1706-V1710 PolarHBondContact O-N 2.96Å; Q1707-V1710 PolarHBondContact O-N 3.21Å; Q1708-V1710 VanDerWaalsContact C-N 3.32Å; Q1708-V1710 PolarHBondContact O-N 3.4Å; V1710-F1713 PolarHBondContact O-N 3.02Å; V1710-I1714 HydrophobicContact CG1-CD1 3.97Å; V1710-I1714 WeakPolarHBondContact O-CG1 3.42Å; V1710-I1714 PolarHBondContact O-N 2.83Å; V1710-V1792 HydrophobicContact CG1-CG1 4.09Å; V1710-V1792 HydrophobicContact CG2-CG1 4.43Å; V1710-V1792 HydrophobicContact CG2-CG2 4.01Å; V1710-F1818 HydrophobicContact CG1-CE1 4.18Å; V1710-F1818 HydrophobicContact CG2-CZ 4.42Å |
| 1711 | D | 91.9 | Very high | 88.1 | Confident | 32 Ų | 32 | 26.7 Ų | 26.7 | 17% | 0.171 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.8 | -48.4 | 178.3 | -70.4 | -17 | 0 | 0 | 0 | 112 | Q1707 Q1708 F1713 I1714 A1715 R1824 Y1825 | Q1707-D1711 PolarHBondContact NE2-OD1 3.38Å; Q1707-D1711 PolarHBondContact NE2-OD2 3.41Å; Q1707-D1711 VanDerWaalsContact O-CG 3.3Å; Q1707-D1711 PolarHBondContact O-N 2.82Å; Q1708-D1711 PolarHBondContact O-N 3.5Å; D1711-F1713 VanDerWaalsContact C-N 3.32Å; D1711-F1713 PolarHBondContact O-N 3.39Å; D1711-I1714 PolarHBondContact O-N 2.87Å; D1711-A1715 WeakPolarHBondContact O-CB 3.01Å; D1711-A1715 PolarHBondContact O-N 3.48Å; D1711-R1824 IonicContact OD1-CZ 2.78Å; D1711-R1824 IonicContact OD1-NH2 2.65Å; D1711-R1824 PolarHBondContact OD1-NH2 2.86Å; D1711-R1824 IonicContact OD2-CZ 3.97Å; D1711-R1824 IonicContact OD2-NH1 2.89Å; D1711-R1824 IonicContact OD2-NH2 3.15Å; D1711-R1824 PolarHBondContact OD2-NH2 3.13Å; D1711-Y1825 VanDerWaalsContact OD1-CE1 3.26Å; D1711-Y1825 WeakPolarHBondContact OD1-CE1 3.13Å; D1711-Y1825 PolarHBondContact OD1-OH 3.37Å |
| 1712 | D | 89.6 | Confident | 87.5 | Confident | 74 Ų | 74 | 29.1 Ų | 29.1 | 40% | 0.396 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.7 | -38.5 | -179.5 | -71.3 | -15.3 | 0 | 0 | 0 | 111.5 | Q1708 S1716 | Q1708-D1712 WeakPolarHBondContact O-CB 3.26Å; Q1708-D1712 PolarHBondContact O-N 3.19Å; D1712-S1716 WeakPolarHBondContact O-CB 3.35Å; D1712-S1716 PolarHBondContact O-N 3.44Å; D1712-S1716 PolarHBondContact O-OG 2.86Å |
| 1713 | F | 93.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.1 | -48.6 | 173.8 | 169.3 | -102.8 | 0 | 0 | 0 | 112 | L1483 L1486 F1709 V1710 D1711 A1715 S1716 A1717 W1766 I1770 F1796 | L1483-F1713 HydrophobicContact CB-CD2 3.78Å; L1483-F1713 HydrophobicContact CB-CE2 3.8Å; L1483-F1713 HydrophobicContact CD1-CD2 4.06Å; L1483-F1713 HydrophobicContact CD1-CE2 3.79Å; L1483-F1713 HydrophobicContact CD1-CZ 4.18Å; L1483-F1713 HydrophobicContact CG-CD2 4.5Å; L1483-F1713 HydrophobicContact CG-CE2 4.23Å; L1486-F1713 HydrophobicContact CD2-CB 4.2Å; L1486-F1713 HydrophobicContact CD2-CD1 4.13Å; L1486-F1713 HydrophobicContact CD2-CG 4.15Å; F1709-F1713 VanDerWaalsContact O-CB 3.32Å; F1709-F1713 WeakPolarHBondContact O-CB 3.09Å; F1709-F1713 PolarHBondContact O-N 2.78Å; F1709-F1713 VanDerWaalsContact O-N 3.15Å; V1710-F1713 PolarHBondContact O-N 3.02Å; D1711-F1713 VanDerWaalsContact C-N 3.32Å; D1711-F1713 PolarHBondContact O-N 3.39Å; F1713-A1715 VanDerWaalsContact C-N 3.31Å; F1713-A1715 PolarHBondContact O-N 3.12Å; F1713-S1716 PolarHBondContact O-N 3.41Å; F1713-A1717 HydrophobicContact CD2-CB 4.47Å; F1713-A1717 HydrophobicContact CE2-CB 3.95Å; F1713-A1717 HydrophobicContact CZ-CB 3.96Å; F1713-A1717 VanDerWaalsContact O-CB 3.24Å; F1713-A1717 WeakPolarHBondContact O-CB 3.46Å; F1713-A1717 PolarHBondContact O-N 2.96Å; F1713-W1766 HydrophobicContact CE2-CE3 4.47Å; F1713-W1766 HydrophobicContact CE2-CZ3 4.32Å; F1713-W1766 HydrophobicContact CZ-CE3 4.21Å; F1713-I1770 HydrophobicContact CE1-CD1 3.43Å; F1713-I1770 VanDerWaalsContact CE1-CD1 3.43Å; F1713-I1770 HydrophobicContact CE1-CG1 3.51Å; F1713-I1770 HydrophobicContact CE2-CG1 4.42Å; F1713-I1770 HydrophobicContact CZ-CD1 3.64Å; F1713-I1770 HydrophobicContact CZ-CG1 3.34Å; F1713-F1796 HydrophobicContact CE1-CD2 4.26Å; F1713-F1796 HydrophobicContact CE1-CE2 4.41Å |
| 1714 | I | 93.2 | Very high | 85.5 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.8 | -41.8 | 179.2 | -68.3 | 172.3 | 0 | 0 | 0 | 110.7 | V1710 D1711 L1718 F1796 Y1825 I1828 | V1710-I1714 HydrophobicContact CG1-CD1 3.97Å; V1710-I1714 WeakPolarHBondContact O-CG1 3.42Å; V1710-I1714 PolarHBondContact O-N 2.83Å; D1711-I1714 PolarHBondContact O-N 2.87Å; I1714-L1718 HydrophobicContact CG2-CD1 4.12Å; I1714-L1718 WeakPolarHBondContact O-CB 3.41Å; I1714-L1718 WeakPolarHBondContact O-CG 3.28Å; I1714-L1718 PolarHBondContact O-N 3.03Å; I1714-F1796 HydrophobicContact CG1-CD2 4.13Å; I1714-Y1825 HydrophobicContact CD1-CD1 3.78Å; I1714-Y1825 HydrophobicContact CD1-CD2 3.8Å; I1714-Y1825 HydrophobicContact CD1-CE1 3.65Å; I1714-Y1825 HydrophobicContact CD1-CE2 3.66Å; I1714-Y1825 HydrophobicContact CD1-CG 3.87Å; I1714-Y1825 HydrophobicContact CG2-CD1 4.16Å; I1714-I1828 HydrophobicContact CG2-CD1 4.23Å |
| 1715 | A | 90.9 | Very high | 85 | Confident | 47 Ų | 47 | 39.2 Ų | 39.2 | 39% | 0.388 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.6 | -41.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1711 F1713 N1719 | D1711-A1715 WeakPolarHBondContact O-CB 3.01Å; D1711-A1715 PolarHBondContact O-N 3.48Å; F1713-A1715 VanDerWaalsContact C-N 3.31Å; F1713-A1715 PolarHBondContact O-N 3.12Å; A1715-N1719 WeakPolarHBondContact O-CB 3.35Å; A1715-N1719 PolarHBondContact O-N 2.71Å |
| 1716 | S | 90.4 | Very high | 85.1 | Confident | 30 Ų | 30 | 39 Ų | 39 | 21% | 0.21 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -76.1 | -38.1 | -177.9 | -70.4 | 0 | 0 | 0 | 0 | 113 | Y1474 S1482 D1712 F1713 L1718 N1719 | Y1474-S1716 PolarHBondContact OH-O 3.1Å; S1482-S1716 WeakPolarHBondContact OG-CB 3.38Å; D1712-S1716 WeakPolarHBondContact O-CB 3.35Å; D1712-S1716 PolarHBondContact O-N 3.44Å; D1712-S1716 PolarHBondContact O-OG 2.86Å; F1713-S1716 PolarHBondContact O-N 3.41Å; S1716-L1718 PolarHBondContact O-N 3.36Å; S1716-N1719 PolarHBondContact O-N 3.26Å |
| 1717 | A | 89.7 | Confident | 85.1 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.3 | -24.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | F1713 W1766 | F1713-A1717 HydrophobicContact CD2-CB 4.47Å; F1713-A1717 HydrophobicContact CE2-CB 3.95Å; F1713-A1717 HydrophobicContact CZ-CB 3.96Å; F1713-A1717 VanDerWaalsContact O-CB 3.24Å; F1713-A1717 WeakPolarHBondContact O-CB 3.46Å; F1713-A1717 PolarHBondContact O-N 2.96Å; A1717-W1766 HydrophobicContact CB-CD2 4.14Å; A1717-W1766 HydrophobicContact CB-CE3 4.08Å; A1717-W1766 HydrophobicContact CB-CH2 3.95Å; A1717-W1766 HydrophobicContact CB-CZ2 3.99Å; A1717-W1766 HydrophobicContact CB-CZ3 3.98Å; A1717-W1766 WeakPolarHBondContact O-CZ2 3.43Å |
| 1718 | L | 91.3 | Very high | 85.1 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 19 | -179.3 | -57.8 | 176 | 0 | 0 | 0 | 112.9 | I1714 S1716 F1796 I1828 F1829 F1832 | I1714-L1718 HydrophobicContact CG2-CD1 4.12Å; I1714-L1718 WeakPolarHBondContact O-CB 3.41Å; I1714-L1718 WeakPolarHBondContact O-CG 3.28Å; I1714-L1718 PolarHBondContact O-N 3.03Å; S1716-L1718 PolarHBondContact O-N 3.36Å; L1718-F1796 HydrophobicContact CD1-CE2 4.41Å; L1718-F1796 HydrophobicContact CD2-CZ 4.12Å; L1718-F1796 HydrophobicContact CG-CE2 4.42Å; L1718-F1796 HydrophobicContact CG-CZ 4.47Å; L1718-I1828 HydrophobicContact CB-CG2 4.1Å; L1718-I1828 HydrophobicContact CD1-CG2 3.96Å; L1718-F1829 HydrophobicContact CD1-CD1 3.82Å; L1718-F1829 HydrophobicContact CD1-CD2 3.68Å; L1718-F1829 HydrophobicContact CD1-CE1 3.71Å; L1718-F1829 HydrophobicContact CD1-CE2 3.58Å; L1718-F1829 HydrophobicContact CD1-CG 3.8Å; L1718-F1829 HydrophobicContact CD1-CZ 3.6Å; L1718-F1829 HydrophobicContact CD2-CD1 4.13Å; L1718-F1829 HydrophobicContact CD2-CE1 3.7Å; L1718-F1829 HydrophobicContact CD2-CZ 4.15Å; L1718-F1829 HydrophobicContact CG-CE1 4.36Å; L1718-F1829 HydrophobicContact CG-CZ 4.45Å; L1718-F1832 HydrophobicContact CB-CB 4.2Å; L1718-F1832 HydrophobicContact CB-CD2 4.26Å; L1718-F1832 HydrophobicContact CB-CG 4.25Å; L1718-F1832 HydrophobicContact CD2-CD1 4.23Å; L1718-F1832 HydrophobicContact CD2-CE1 4.48Å; L1718-F1832 HydrophobicContact CD2-CG 4.29Å; L1718-F1832 VanDerWaalsContact O-CD2 3.22Å; L1718-F1832 WeakPolarHBondContact O-CD2 3.25Å |
| 1719 | N | 88 | Confident | 85.3 | Confident | 82 Ų | 82 | 34.1 Ų | 34.1 | 44% | 0.439 | 23% | 0.226 | S | C | . | . | trans | -84.2 | 124 | 178.5 | -172.3 | 8.8 | 0 | 0 | 0 | 111.1 | Y1474 A1715 S1716 G1721 | Y1474-N1719 PolarHBondContact OH-O 3.06Å; A1715-N1719 WeakPolarHBondContact O-CB 3.35Å; A1715-N1719 PolarHBondContact O-N 2.71Å; S1716-N1719 PolarHBondContact O-N 3.26Å; N1719-G1721 PolarHBondContact OD1-N 2.64Å | ||
| 1720 | V | 83.6 | Confident | 85.5 | Confident | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.03 | 22% | 0.223 | C | C | . | . | trans | -84.5 | -19.6 | 175.5 | -171.8 | 0 | 0 | 0 | 0 | 111.8 | F1726 F1832 E1835 V1836 L1839 | V1720-F1726 HydrophobicContact CB-CD2 4.48Å; V1720-F1726 HydrophobicContact CG1-CB 4.28Å; V1720-F1726 HydrophobicContact CG1-CD2 4.25Å; V1720-F1726 HydrophobicContact CG1-CG 4.1Å; V1720-F1726 WeakPolarHBondContact O-CB 3.48Å; V1720-F1832 HydrophobicContact CG2-CD2 3.58Å; V1720-F1832 HydrophobicContact CG2-CE2 4.01Å; V1720-E1835 HydrophobicContact CB-CB 3.95Å; V1720-E1835 HydrophobicContact CG1-CB 4.23Å; V1720-E1835 HydrophobicContact CG2-CB 3.67Å; V1720-V1836 HydrophobicContact CG1-CG2 4.25Å; V1720-V1836 HydrophobicContact CG2-CG2 3.62Å; V1720-L1839 HydrophobicContact CG1-CD1 3.57Å; V1720-L1839 HydrophobicContact CG1-CD2 4.17Å; V1720-L1839 HydrophobicContact CG1-CG 3.91Å | ||
| 1721 | G | 72.8 | Confident | 85.5 | Confident | 46 Ų | 46 | 33.9 Ų | 33.9 | 47% | 0.474 | 23% | 0.225 | S | C | . | . | trans | 53.5 | -146.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | N1719 | N1719-G1721 PolarHBondContact OD1-N 2.64Š| ||
| 1722 | S | 68.7 | Low | 85.6 | Confident | 53 Ų | 53 | 33.7 Ų | 33.7 | 37% | 0.371 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -82.8 | 157.9 | 169.6 | 71.5 | 0 | 0 | 0 | 0 | 110.8 | S1724 T1725 F1726 | S1722-S1724 PolarHBondContact O-N 3.28Å; S1722-S1724 PolarHBondContact OG-OG 2.78Å; S1722-T1725 PolarHBondContact N-OG1 2.83Å; S1722-T1725 PolarHBondContact O-N 2.74Å; S1722-T1725 PolarHBondContact O-OG1 3.47Å; S1722-T1725 PolarHBondContact OG-OG1 2.92Å; S1722-F1726 PolarHBondContact O-N 3.24Å |
| 1723 | P | 64.7 | Low | 85.9 | Confident | 86 Ų | 86 | 30.2 Ų | 30.2 | 56% | 0.558 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -27.1 | 179.9 | -24.2 | 33 | 0 | 0 | 0 | 114.2 | L1839 | P1723-L1839 HydrophobicContact CB-CD2 3.96Å; P1723-L1839 HydrophobicContact CG-CD2 4.01Å |
| 1724 | S | 68.7 | Low | 85.9 | Confident | 109 Ų | 109 | 30.4 Ų | 30.4 | 76% | 0.762 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -18.9 | 177.9 | 55.4 | 0 | 0 | 0 | 0 | 114.1 | S1722 | S1722-S1724 PolarHBondContact O-N 3.28Å; S1722-S1724 PolarHBondContact OG-OG 2.78Å |
| 1725 | T | 74.8 | Confident | 85.9 | Confident | 83 Ų | 83 | 31.9 Ų | 31.9 | 51% | 0.509 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -26.7 | -178 | 49.2 | 0 | 0 | 0 | 0 | 113.7 | S1722 | S1722-T1725 PolarHBondContact N-OG1 2.83Å; S1722-T1725 PolarHBondContact O-N 2.74Å; S1722-T1725 PolarHBondContact O-OG1 3.47Å; S1722-T1725 PolarHBondContact OG-OG1 2.92Å |
| 1726 | F | 87.1 | Confident | 86 | Confident | 15 Ų | 15 | 29.8 Ų | 29.8 | 7% | 0.066 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -75.7 | 135.9 | 178 | -164.7 | -110.9 | 0 | 0 | 0 | 111 | V1720 S1722 A1728 I1730 F1832 V1836 L1839 | V1720-F1726 HydrophobicContact CB-CD2 4.48Å; V1720-F1726 HydrophobicContact CG1-CB 4.28Å; V1720-F1726 HydrophobicContact CG1-CD2 4.25Å; V1720-F1726 HydrophobicContact CG1-CG 4.1Å; V1720-F1726 WeakPolarHBondContact O-CB 3.48Å; S1722-F1726 PolarHBondContact O-N 3.24Å; F1726-A1728 PolarHBondContact O-N 3.46Å; F1726-I1730 HydrophobicContact CE1-CB 3.89Å; F1726-I1730 HydrophobicContact CE1-CG2 3.81Å; F1726-I1730 HydrophobicContact CZ-CB 4.08Å; F1726-I1730 HydrophobicContact CZ-CG2 3.69Å; F1726-F1832 AromaticContact CE2-CE2 3.71Å; F1726-F1832 HydrophobicContact CE2-CE2 3.71Å; F1726-F1832 HydrophobicContact CE2-CZ 4.3Å; F1726-F1832 AromaticContact CZ-CE2 3.8Å; F1726-F1832 HydrophobicContact CZ-CE2 3.8Å; F1726-F1832 AromaticContact CZ-CZ 3.99Å; F1726-F1832 HydrophobicContact CZ-CZ 3.99Å; F1726-V1836 HydrophobicContact CD1-CG2 4.5Å; F1726-V1836 HydrophobicContact CE1-CG1 3.98Å; F1726-V1836 HydrophobicContact CE1-CG2 3.75Å; F1726-V1836 HydrophobicContact CE2-CG2 4.3Å; F1726-V1836 HydrophobicContact CZ-CG2 3.63Å; F1726-L1839 HydrophobicContact CB-CD1 3.93Å; F1726-L1839 HydrophobicContact CD1-CD1 3.59Å; F1726-L1839 HydrophobicContact CE1-CD1 4.44Å; F1726-L1839 HydrophobicContact CG-CD1 4Å |
| 1727 | P | 88.5 | Confident | 86.2 | Confident | 9 Ų | 9 | 28.4 Ų | 28.4 | 6% | 0.058 | 18% | 0.184 | C | C | . | . | trans | -63 | 110 | -178.2 | -26.2 | 38.2 | 0 | 0 | 0 | 111.9 | L1471 Y1474 P1729 I1730 | L1471-P1727 HydrophobicContact CD2-CB 3.65Å; L1471-P1727 HydrophobicContact CD2-CG 3.45Å; L1471-P1727 VanDerWaalsContact CD2-CG 3.45Å; Y1474-P1727 HydrophobicContact CD2-CG 3.62Å; Y1474-P1727 HydrophobicContact CE2-CG 4.43Å; Y1474-P1727 HydrophobicContact CG-CG 3.78Å; P1727-P1729 VanDerWaalsContact O-N 3.12Å; P1727-I1730 HydrophobicContact CB-CG1 4.19Å; P1727-I1730 PolarHBondContact O-N 2.87Å | ||
| 1728 | A | 88.8 | Confident | 86.3 | Confident | 26 Ų | 26 | 29.8 Ų | 29.8 | 22% | 0.215 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -48.3 | -36.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | F1726 I1730 K1731 Y1732 V1842 | F1726-A1728 PolarHBondContact O-N 3.46Å; A1728-I1730 VanDerWaalsContact C-N 3.29Å; A1728-I1730 PolarHBondContact O-N 2.8Å; A1728-K1731 PolarHBondContact O-N 3.13Å; A1728-Y1732 PolarHBondContact O-N 3.46Å; A1728-V1842 HydrophobicContact CB-CG1 4.14Å; A1728-V1842 HydrophobicContact CB-CG2 4.15Å |
| 1729 | P | 93 | Very high | 86.3 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.4 | -33.3 | 175.1 | -26.1 | 36.5 | 0 | 0 | 0 | 114.6 | W1466 C1470 P1727 L1733 L1847 F1850 M1851 | W1466-P1729 HydrophobicContact CH2-CB 3.5Å; W1466-P1729 VanDerWaalsContact CH2-CB 3.5Å; W1466-P1729 WeakPolarHBondContact CH2-O 3.49Å; W1466-P1729 HydrophobicContact CZ2-CB 3.7Å; W1466-P1729 HydrophobicContact CZ3-CB 4.35Å; C1470-P1729 HydrophobicContact CB-CB 4.12Å; C1470-P1729 HydrophobicContact CB-CG 4.08Å; P1727-P1729 VanDerWaalsContact O-N 3.12Å; P1729-L1733 WeakPolarHBondContact O-CB 3.31Å; P1729-L1733 PolarHBondContact O-N 3.05Å; P1729-L1847 HydrophobicContact CB-CD1 4.1Å; P1729-L1847 HydrophobicContact CG-CD1 4Å; P1729-F1850 HydrophobicContact CG-CD1 3.43Å; P1729-F1850 VanDerWaalsContact CG-CD1 3.43Å; P1729-F1850 HydrophobicContact CG-CE1 3.42Å; P1729-F1850 VanDerWaalsContact CG-CE1 3.42Å; P1729-F1850 HydrophobicContact CG-CG 4.17Å; P1729-F1850 HydrophobicContact CG-CZ 4.15Å; P1729-M1851 HydrophobicContact CB-CE 3.99Å; P1729-M1851 HydrophobicContact CG-CE 3.56Å |
| 1730 | I | 93.6 | Very high | 86.5 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -73.5 | -41.1 | 178.6 | -61.1 | -55.4 | 0 | 0 | 0 | 111.1 | I1467 L1471 F1726 P1727 A1728 L1733 F1734 L1761 | I1467-I1730 HydrophobicContact CG1-CD1 4.47Å; I1467-I1730 HydrophobicContact CG2-CD1 4.13Å; L1471-I1730 HydrophobicContact CD1-CD1 4.08Å; L1471-I1730 HydrophobicContact CD1-CG1 4.39Å; L1471-I1730 HydrophobicContact CD2-CD1 4.19Å; L1471-I1730 HydrophobicContact CD2-CG1 3.75Å; L1471-I1730 HydrophobicContact CG-CD1 4.25Å; L1471-I1730 HydrophobicContact CG-CG1 4.36Å; F1726-I1730 HydrophobicContact CE1-CB 3.89Å; F1726-I1730 HydrophobicContact CE1-CG2 3.81Å; F1726-I1730 HydrophobicContact CZ-CB 4.08Å; F1726-I1730 HydrophobicContact CZ-CG2 3.69Å; P1727-I1730 HydrophobicContact CB-CG1 4.19Å; P1727-I1730 PolarHBondContact O-N 2.87Å; A1728-I1730 VanDerWaalsContact C-N 3.29Å; A1728-I1730 PolarHBondContact O-N 2.8Å; I1730-L1733 PolarHBondContact O-N 3.01Å; I1730-F1734 HydrophobicContact CG2-CD1 4.25Å; I1730-F1734 HydrophobicContact CG2-CE1 4.08Å; I1730-F1734 HydrophobicContact CG2-CE2 4.33Å; I1730-F1734 HydrophobicContact CG2-CG 4.49Å; I1730-F1734 HydrophobicContact CG2-CZ 4.13Å; I1730-F1734 WeakPolarHBondContact O-CB 3.44Å; I1730-F1734 WeakPolarHBondContact O-CG 3.2Å; I1730-F1734 PolarHBondContact O-N 3.1Å; I1730-L1761 HydrophobicContact CD1-CD1 4.18Å; I1730-L1761 HydrophobicContact CG2-CD2 3.84Å |
| 1731 | K | 93.1 | Very high | 86.8 | Confident | 7 Ų | 7 | 30.4 Ų | 30.4 | 3% | 0.03 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.3 | -48.2 | 173.4 | 176.6 | 59.2 | 164.3 | 91.2 | 0 | 110.7 | A1728 L1733 F1734 D1735 V1836 L1839 P1840 V1842 | A1728-K1731 PolarHBondContact O-N 3.13Å; K1731-L1733 PolarHBondContact O-N 2.52Å; K1731-F1734 PolarHBondContact O-N 3.43Å; K1731-D1735 IonicContact NZ-OD1 2.82Å; K1731-D1735 PolarHBondContact NZ-OD1 3.25Å; K1731-D1735 IonicContact NZ-OD2 3.45Å; K1731-D1735 PolarHBondContact NZ-OD2 3.36Å; K1731-D1735 VanDerWaalsContact O-CG 3.3Å; K1731-D1735 PolarHBondContact O-N 2.73Å; K1731-V1836 HydrophobicContact CD-CG1 3.89Å; K1731-V1836 VanDerWaalsContact CD-O 3.23Å; K1731-V1836 WeakPolarHBondContact CD-O 3.37Å; K1731-V1836 WeakPolarHBondContact CE-O 3.35Å; K1731-L1839 HydrophobicContact CD-CB 4.03Å; K1731-L1839 WeakPolarHBondContact CE-O 3.36Å; K1731-L1839 HydrophobicContact CG-CB 4.42Å; K1731-L1839 PolarHBondContact NZ-O 2.9Å; K1731-P1840 WeakPolarHBondContact CE-O 3.46Å; K1731-V1842 HydrophobicContact CB-CG2 4Å; K1731-V1842 HydrophobicContact CG-CG2 3.77Å |
| 1732 | Y | 94.1 | Very high | 87.7 | Confident | 28 Ų | 28 | 33.2 Ų | 33.2 | 11% | 0.11 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.6 | -45.6 | 176.6 | -174.3 | -86.7 | 0 | 0 | 0 | 112.3 | M1432 A1728 F1734 D1735 L1736 D1844 L1847 | M1432-Y1732 HydrophobicContact CE-CD1 4.43Å; M1432-Y1732 HydrophobicContact CG-CE1 4.17Å; M1432-Y1732 HydrophobicContact SD-CD1 4.47Å; M1432-Y1732 HydrophobicContact SD-CE1 4.17Å; A1728-Y1732 PolarHBondContact O-N 3.46Å; Y1732-F1734 PolarHBondContact O-N 3.41Å; Y1732-D1735 PolarHBondContact O-N 2.99Å; Y1732-L1736 HydrophobicContact CE1-CD1 4.18Å; Y1732-L1736 WeakPolarHBondContact O-CB 3.5Å; Y1732-L1736 PolarHBondContact O-N 3.22Å; Y1732-D1844 WeakPolarHBondContact CE2-OD1 3.42Å; Y1732-D1844 PolarHBondContact OH-OD1 3.29Å; Y1732-L1847 HydrophobicContact CD1-CD2 3.69Å; Y1732-L1847 HydrophobicContact CD2-CD2 3.9Å; Y1732-L1847 HydrophobicContact CE1-CD2 3.8Å; Y1732-L1847 HydrophobicContact CE2-CD2 3.98Å; Y1732-L1847 HydrophobicContact CG-CD1 4.49Å; Y1732-L1847 HydrophobicContact CG-CD2 3.74Å |
| 1733 | L | 94.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.6 | -43.5 | 176.7 | 177.7 | 63.8 | 0 | 0 | 0 | 111.6 | L1435 L1463 W1466 I1467 P1729 I1730 K1731 L1736 L1737 | L1435-L1733 HydrophobicContact CD2-CD1 3.57Å; L1463-L1733 HydrophobicContact CD1-CD1 4.07Å; L1463-L1733 HydrophobicContact CD1-CD2 4.24Å; W1466-L1733 HydrophobicContact CZ3-CB 4.32Å; W1466-L1733 HydrophobicContact CZ3-CD2 4.29Å; I1467-L1733 HydrophobicContact CD1-CD2 3.74Å; I1467-L1733 HydrophobicContact CG1-CD2 4.13Å; P1729-L1733 WeakPolarHBondContact O-CB 3.31Å; P1729-L1733 PolarHBondContact O-N 3.05Å; I1730-L1733 PolarHBondContact O-N 3.01Å; K1731-L1733 PolarHBondContact O-N 2.52Å; L1733-L1736 PolarHBondContact O-N 3.2Å; L1733-L1737 HydrophobicContact CD1-CD1 4.32Å; L1733-L1737 HydrophobicContact CD1-CG 4.28Å; L1733-L1737 HydrophobicContact CG-CD1 4.15Å; L1733-L1737 HydrophobicContact CG-CG 4.49Å; L1733-L1737 VanDerWaalsContact O-CG 3.24Å; L1733-L1737 WeakPolarHBondContact O-CG 3.43Å; L1733-L1737 PolarHBondContact O-N 3.36Å |
| 1734 | F | 94.8 | Very high | 89.6 | Confident | 5 Ų | 5 | 37.6 Ų | 37.6 | 2% | 0.022 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.5 | -39.3 | -179.2 | -80.2 | 15.9 | 0 | 0 | 0 | 112.1 | I1730 K1731 Y1732 L1737 D1738 K1757 L1761 F1832 Y1833 V1836 | I1730-F1734 HydrophobicContact CG2-CD1 4.25Å; I1730-F1734 HydrophobicContact CG2-CE1 4.08Å; I1730-F1734 HydrophobicContact CG2-CE2 4.33Å; I1730-F1734 HydrophobicContact CG2-CG 4.49Å; I1730-F1734 HydrophobicContact CG2-CZ 4.13Å; I1730-F1734 WeakPolarHBondContact O-CB 3.44Å; I1730-F1734 WeakPolarHBondContact O-CG 3.2Å; I1730-F1734 PolarHBondContact O-N 3.1Å; K1731-F1734 PolarHBondContact O-N 3.43Å; Y1732-F1734 PolarHBondContact O-N 3.41Å; F1734-L1737 PolarHBondContact O-N 2.81Å; F1734-D1738 WeakPolarHBondContact O-CB 3.44Å; F1734-D1738 PolarHBondContact O-N 3.05Å; F1734-K1757 HydrophobicContact CB-CD 3.87Å; F1734-K1757 HydrophobicContact CB-CG 4.39Å; F1734-K1757 HydrophobicContact CD1-CB 4.32Å; F1734-K1757 HydrophobicContact CD1-CD 4.02Å; F1734-K1757 HydrophobicContact CD1-CG 3.69Å; F1734-K1757 HydrophobicContact CD2-CD 3.61Å; F1734-K1757 HydrophobicContact CD2-CG 4.11Å; F1734-K1757 HydrophobicContact CE1-CB 3.97Å; F1734-K1757 HydrophobicContact CE1-CD 4.43Å; F1734-K1757 HydrophobicContact CE1-CG 3.86Å; F1734-K1757 HydrophobicContact CE2-CB 4.31Å; F1734-K1757 HydrophobicContact CE2-CD 4.09Å; F1734-K1757 HydrophobicContact CE2-CG 4.3Å; F1734-K1757 HydrophobicContact CG-CD 3.57Å; F1734-K1757 HydrophobicContact CG-CG 3.81Å; F1734-K1757 HydrophobicContact CZ-CB 3.96Å; F1734-K1757 HydrophobicContact CZ-CD 4.46Å; F1734-K1757 HydrophobicContact CZ-CG 4.17Å; F1734-L1761 HydrophobicContact CE1-CB 4.17Å; F1734-L1761 HydrophobicContact CE1-CD2 4.36Å; F1734-L1761 HydrophobicContact CZ-CB 4.1Å; F1734-L1761 HydrophobicContact CZ-CD2 3.75Å; F1734-F1832 AromaticContact CE2-CE1 3.93Å; F1734-F1832 HydrophobicContact CE2-CE1 3.93Å; F1734-F1832 HydrophobicContact CE2-CZ 4.23Å; F1734-F1832 HydrophobicContact CZ-CE1 4.34Å; F1734-Y1833 AromaticContact CE2-CD1 3.89Å; F1734-Y1833 HydrophobicContact CE2-CD1 3.89Å; F1734-Y1833 AromaticContact CE2-CE1 3.69Å; F1734-Y1833 HydrophobicContact CE2-CE1 3.69Å; F1734-Y1833 HydrophobicContact CZ-CE1 4.02Å; F1734-V1836 HydrophobicContact CD2-CB 4.41Å; F1734-V1836 HydrophobicContact CD2-CG1 3.73Å; F1734-V1836 HydrophobicContact CE2-CG1 4.43Å; F1734-V1836 HydrophobicContact CG-CG1 4.5Å |
| 1735 | D | 93.3 | Very high | 90.1 | Very high | 31 Ų | 31 | 33.9 Ų | 33.9 | 17% | 0.166 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.2 | -44 | 174.3 | -68.2 | -19.9 | 0 | 0 | 0 | 111.5 | K1731 Y1732 L1737 D1738 E1739 | K1731-D1735 IonicContact NZ-OD1 2.82Å; K1731-D1735 PolarHBondContact NZ-OD1 3.25Å; K1731-D1735 IonicContact NZ-OD2 3.45Å; K1731-D1735 PolarHBondContact NZ-OD2 3.36Å; K1731-D1735 VanDerWaalsContact O-CG 3.3Å; K1731-D1735 PolarHBondContact O-N 2.73Å; Y1732-D1735 PolarHBondContact O-N 2.99Å; D1735-L1737 VanDerWaalsContact C-N 3.33Å; D1735-L1737 PolarHBondContact O-N 2.98Å; D1735-D1738 PolarHBondContact O-N 3.46Å; D1735-E1739 WeakPolarHBondContact O-CB 3.16Å; D1735-E1739 PolarHBondContact O-N 2.85Å |
| 1736 | L | 93.1 | Very high | 90.3 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.5 | -43.2 | 176 | -177.4 | 152.9 | 0 | 0 | 0 | 111.3 | M1432 L1435 R1436 I1439 Y1732 L1733 E1739 E1740 | M1432-L1736 HydrophobicContact SD-CD1 4.02Å; L1435-L1736 HydrophobicContact CD2-CD2 4.07Å; R1436-L1736 HydrophobicContact CG-CD1 4.49Å; I1439-L1736 HydrophobicContact CD1-CD2 3.91Å; Y1732-L1736 HydrophobicContact CE1-CD1 4.18Å; Y1732-L1736 WeakPolarHBondContact O-CB 3.5Å; Y1732-L1736 PolarHBondContact O-N 3.22Å; L1733-L1736 PolarHBondContact O-N 3.2Å; L1736-E1739 PolarHBondContact O-N 3.46Å; L1736-E1740 HydrophobicContact CD2-CG 4.24Å; L1736-E1740 WeakPolarHBondContact O-CB 3.47Å; L1736-E1740 VanDerWaalsContact O-CG 3.31Å; L1736-E1740 WeakPolarHBondContact O-CG 3.19Å; L1736-E1740 PolarHBondContact O-N 3.37Å |
| 1737 | L | 93.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.3 | -40.4 | 176.9 | -69.9 | 175.1 | 0 | 0 | 0 | 111.8 | I1439 M1451 L1733 F1734 D1735 A1741 W1756 K1757 | I1439-L1737 HydrophobicContact CD1-CD2 4Å; M1451-L1737 HydrophobicContact CE-CD2 4.12Å; L1733-L1737 HydrophobicContact CD1-CD1 4.32Å; L1733-L1737 HydrophobicContact CD1-CG 4.28Å; L1733-L1737 HydrophobicContact CG-CD1 4.15Å; L1733-L1737 HydrophobicContact CG-CG 4.49Å; L1733-L1737 VanDerWaalsContact O-CG 3.24Å; L1733-L1737 WeakPolarHBondContact O-CG 3.43Å; L1733-L1737 PolarHBondContact O-N 3.36Å; F1734-L1737 PolarHBondContact O-N 2.81Å; D1735-L1737 VanDerWaalsContact C-N 3.33Å; D1735-L1737 PolarHBondContact O-N 2.98Å; L1737-A1741 WeakPolarHBondContact O-CB 3.15Å; L1737-A1741 PolarHBondContact O-N 3.29Å; L1737-W1756 HydrophobicContact CB-CE3 4.38Å; L1737-W1756 HydrophobicContact CD1-CB 4.17Å; L1737-W1756 HydrophobicContact CD2-CB 4.2Å; L1737-W1756 HydrophobicContact CD2-CE3 4.01Å; L1737-K1757 HydrophobicContact CD1-CG 4.1Å |
| 1738 | D | 92 | Very high | 89.9 | Confident | 30 Ų | 30 | 46.5 Ų | 46.5 | 16% | 0.16 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69 | -38.9 | 178 | -75.7 | -18.8 | 0 | 0 | 0 | 111.9 | F1734 D1735 H1742 K1757 | F1734-D1738 WeakPolarHBondContact O-CB 3.44Å; F1734-D1738 PolarHBondContact O-N 3.05Å; D1735-D1738 PolarHBondContact O-N 3.46Å; D1738-H1742 PolarHBondContact O-N 2.87Å; D1738-H1742 PolarHBondContact O-ND1 2.87Å; D1738-K1757 VanDerWaalsContact OD1-CE 3.25Å; D1738-K1757 WeakPolarHBondContact OD1-CE 3.48Å; D1738-K1757 IonicContact OD1-NZ 2.68Å; D1738-K1757 PolarHBondContact OD1-NZ 3Å; D1738-K1757 IonicContact OD2-NZ 3.84Å; D1738-K1757 PolarHBondContact OD2-NZ 2.8Å |
| 1739 | E | 91.5 | Very high | 89.7 | Confident | 102 Ų | 102 | 45.3 Ų | 45.3 | 48% | 0.477 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.5 | -48.4 | 176.7 | -169.3 | -167.9 | 160.3 | 0 | 0 | 111.5 | D1735 L1736 A1741 H1742 R1743 | D1735-E1739 WeakPolarHBondContact O-CB 3.16Å; D1735-E1739 PolarHBondContact O-N 2.85Å; L1736-E1739 PolarHBondContact O-N 3.46Å; E1739-A1741 VanDerWaalsContact C-N 3.34Å; E1739-A1741 PolarHBondContact O-N 3.43Å; E1739-H1742 PolarHBondContact O-N 2.91Å; E1739-R1743 PolarHBondContact O-N 3.34Å; E1739-R1743 IonicContact OE1-CZ 3.78Å; E1739-R1743 IonicContact OE1-NH2 3.58Å; E1739-R1743 PolarHBondContact OE1-NH2 3.07Å |
| 1740 | E | 91.7 | Very high | 89.4 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 1% | 0.014 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.5 | -34.7 | 178.7 | -63.5 | -66.3 | 164.7 | 0 | 0 | 111.4 | R1436 I1439 L1736 H1742 R1743 Y1744 W1756 | R1436-E1740 IonicContact NE-OE1 2.83Å; I1439-E1740 HydrophobicContact CD1-CB 4.19Å; I1439-E1740 HydrophobicContact CD1-CG 4.13Å; I1439-E1740 HydrophobicContact CG2-CB 3.81Å; I1439-E1740 HydrophobicContact CG2-CG 4.46Å; L1736-E1740 HydrophobicContact CD2-CG 4.24Å; L1736-E1740 WeakPolarHBondContact O-CB 3.47Å; L1736-E1740 VanDerWaalsContact O-CG 3.31Å; L1736-E1740 WeakPolarHBondContact O-CG 3.19Å; L1736-E1740 PolarHBondContact O-N 3.37Å; E1740-H1742 VanDerWaalsContact C-N 3.31Å; E1740-H1742 PolarHBondContact O-N 3.14Å; E1740-R1743 VanDerWaalsContact CD-NH1 3.27Å; E1740-R1743 PolarHBondContact O-N 3.38Å; E1740-R1743 IonicContact OE1-CZ 3.56Å; E1740-R1743 IonicContact OE1-NH1 2.72Å; E1740-R1743 PolarHBondContact OE1-NH1 2.75Å; E1740-R1743 IonicContact OE2-CZ 2.75Å; E1740-R1743 IonicContact OE2-NH1 3.77Å; E1740-R1743 PolarHBondContact OE2-NH1 2.66Å; E1740-R1743 VanDerWaalsContact OE2-NH1 3.09Å; E1740-Y1744 VanDerWaalsContact O-CD2 3.3Å; E1740-Y1744 WeakPolarHBondContact O-CD2 3.45Å; E1740-Y1744 PolarHBondContact O-N 3.18Å; E1740-Y1744 VanDerWaalsContact O-N 3.08Å; E1740-Y1744 WeakPolarHBondContact OE2-CE2 3.45Å; E1740-W1756 HydrophobicContact CB-CZ3 4.49Å |
| 1741 | A | 90.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.6 | -38.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1737 E1739 T1745 A1749 W1756 | L1737-A1741 WeakPolarHBondContact O-CB 3.15Å; L1737-A1741 PolarHBondContact O-N 3.29Å; E1739-A1741 VanDerWaalsContact C-N 3.34Å; E1739-A1741 PolarHBondContact O-N 3.43Å; A1741-T1745 CarbonylContact O-C 3.48Å; A1741-T1745 PolarHBondContact O-N 2.82Å; A1741-T1745 PolarHBondContact O-OG1 3.24Å; A1741-A1749 HydrophobicContact CB-CB 4.3Å; A1741-A1749 WeakPolarHBondContact CB-O 3.33Å; A1741-A1749 WeakPolarHBondContact O-CB 3.23Å; A1741-W1756 HydrophobicContact CB-CE3 4.13Å; A1741-W1756 HydrophobicContact CB-CH2 4.32Å; A1741-W1756 HydrophobicContact CB-CZ3 3.7Å |
| 1742 | H | 90.6 | Very high | 88.9 | Confident | 105 Ų | 105 | 54.9 Ų | 54.9 | 49% | 0.486 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.8 | -38.6 | 172.9 | -86.7 | 67.5 | 0 | 0 | 0 | 112.3 | D1738 E1739 E1740 A1749 | D1738-H1742 PolarHBondContact O-N 2.87Å; D1738-H1742 PolarHBondContact O-ND1 2.87Å; E1739-H1742 PolarHBondContact O-N 2.91Å; E1740-H1742 VanDerWaalsContact C-N 3.31Å; E1740-H1742 PolarHBondContact O-N 3.14Å; H1742-A1749 HydrophobicContact CB-CB 4.4Å; H1742-A1749 WeakPolarHBondContact ND1-CB 3.28Å |
| 1743 | R | 89.3 | Confident | 88.7 | Confident | 143 Ų | 143 | 53.6 Ų | 53.6 | 54% | 0.54 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67 | -38.9 | -178 | -168.3 | -179.7 | -73.1 | 151.1 | -1.5 | 112.8 | E1739 E1740 | E1739-R1743 PolarHBondContact O-N 3.34Å; E1739-R1743 IonicContact OE1-CZ 3.78Å; E1739-R1743 IonicContact OE1-NH2 3.58Å; E1739-R1743 PolarHBondContact OE1-NH2 3.07Å; E1740-R1743 VanDerWaalsContact CD-NH1 3.27Å; E1740-R1743 PolarHBondContact O-N 3.38Å; E1740-R1743 IonicContact OE1-CZ 3.56Å; E1740-R1743 IonicContact OE1-NH1 2.72Å; E1740-R1743 PolarHBondContact OE1-NH1 2.75Å; E1740-R1743 IonicContact OE2-CZ 2.75Å; E1740-R1743 IonicContact OE2-NH1 3.77Å; E1740-R1743 PolarHBondContact OE2-NH1 2.66Å; E1740-R1743 VanDerWaalsContact OE2-NH1 3.09Å |
| 1744 | Y | 84 | Confident | 88.4 | Confident | 88 Ų | 88 | 56.7 Ų | 56.7 | 35% | 0.345 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -96.4 | -33.7 | -176 | -71.8 | -74.4 | 0 | 0 | 0 | 114.6 | I1439 S1440 A1443 E1740 | I1439-Y1744 HydrophobicContact CG2-CD2 4.09Å; I1439-Y1744 HydrophobicContact CG2-CE2 4.07Å; S1440-Y1744 WeakPolarHBondContact CB-OH 3.22Å; S1440-Y1744 PolarHBondContact OG-OH 3.07Å; S1440-Y1744 VanDerWaalsContact OG-OH 3.06Å; A1443-Y1744 HydrophobicContact CB-CD1 3.65Å; A1443-Y1744 HydrophobicContact CB-CD2 3.96Å; A1443-Y1744 HydrophobicContact CB-CE1 4.3Å; A1443-Y1744 HydrophobicContact CB-CG 3.46Å; A1443-Y1744 VanDerWaalsContact CB-CG 3.46Å; E1740-Y1744 VanDerWaalsContact O-CD2 3.3Å; E1740-Y1744 WeakPolarHBondContact O-CD2 3.45Å; E1740-Y1744 PolarHBondContact O-N 3.18Å; E1740-Y1744 VanDerWaalsContact O-N 3.08Å; E1740-Y1744 WeakPolarHBondContact OE2-CE2 3.45Å |
| 1745 | T | 79.4 | Confident | 88.2 | Confident | 32 Ų | 32 | 57.5 Ų | 57.5 | 20% | 0.196 | 29% | 0.292 | C | S | . | . | trans | -138.8 | 63.4 | -172.7 | 48.2 | 0 | 0 | 0 | 0 | 111.3 | A1741 N1747 E1748 A1749 I1752 | A1741-T1745 CarbonylContact O-C 3.48Å; A1741-T1745 PolarHBondContact O-N 2.82Å; A1741-T1745 PolarHBondContact O-OG1 3.24Å; T1745-N1747 PolarHBondContact O-N 2.97Å; T1745-E1748 CarbonylContact O-C 3.59Å; T1745-E1748 PolarHBondContact O-N 3.02Å; T1745-A1749 VanDerWaalsContact O-CA 3.31Å; T1745-A1749 WeakPolarHBondContact O-CA 3.48Å; T1745-A1749 WeakPolarHBondContact O-CB 3.23Å; T1745-A1749 PolarHBondContact O-N 2.95Å; T1745-I1752 HydrophobicContact CG2-CD1 3.95Å; T1745-I1752 WeakPolarHBondContact OG1-CD1 3.35Å | ||
| 1746 | P | 80 | Confident | 88.1 | Confident | 86 Ų | 86 | 56 Ų | 56 | 56% | 0.558 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -31.3 | -171.3 | 17.6 | -29.7 | 0 | 0 | 0 | 114.1 | ||
| 1747 | N | 82.3 | Confident | 88.1 | Confident | 165 Ų | 165 | 56.8 Ų | 56.8 | 88% | 0.882 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -28.6 | -179.4 | -63.4 | -12.1 | 0 | 0 | 0 | 114 | T1745 | T1745-N1747 PolarHBondContact O-N 2.97Š|
| 1748 | E | 84.2 | Confident | 88 | Confident | 120 Ų | 120 | 57.3 Ų | 57.3 | 56% | 0.561 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.1 | 8.6 | -177.6 | -65.7 | -178.1 | -175.9 | 0 | 0 | 111.8 | T1745 Q1750 A1751 I1752 | T1745-E1748 CarbonylContact O-C 3.59Å; T1745-E1748 PolarHBondContact O-N 3.02Å; E1748-Q1750 PolarHBondContact O-N 2.81Å; E1748-Q1750 VanDerWaalsContact O-N 3.11Å; E1748-A1751 PolarHBondContact O-N 3.4Å; E1748-I1752 HydrophobicContact CB-CD1 3.7Å; E1748-I1752 HydrophobicContact CB-CG1 4.17Å; E1748-I1752 PolarHBondContact O-N 3.06Å |
| 1749 | A | 85.5 | Confident | 88 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 2% | 0.017 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -55.7 | -37.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1741 H1742 T1745 G1753 | A1741-A1749 HydrophobicContact CB-CB 4.3Å; A1741-A1749 WeakPolarHBondContact CB-O 3.33Å; A1741-A1749 WeakPolarHBondContact O-CB 3.23Å; H1742-A1749 HydrophobicContact CB-CB 4.4Å; H1742-A1749 WeakPolarHBondContact ND1-CB 3.28Å; T1745-A1749 VanDerWaalsContact O-CA 3.31Å; T1745-A1749 WeakPolarHBondContact O-CA 3.48Å; T1745-A1749 WeakPolarHBondContact O-CB 3.23Å; T1745-A1749 PolarHBondContact O-N 2.95Å; A1749-G1753 WeakPolarHBondContact O-CA 3.42Å; A1749-G1753 PolarHBondContact O-N 2.84Å |
| 1750 | Q | 85.7 | Confident | 88 | Confident | 137 Ų | 137 | 51.7 Ų | 51.7 | 64% | 0.64 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -69.7 | -43.8 | 179.5 | -172.1 | 170.3 | -6.5 | 0 | 0 | 112.5 | E1748 Q1754 | E1748-Q1750 PolarHBondContact O-N 2.81Å; E1748-Q1750 VanDerWaalsContact O-N 3.11Å; Q1750-Q1754 VanDerWaalsContact O-CB 3.23Å; Q1750-Q1754 WeakPolarHBondContact O-CB 3.45Å; Q1750-Q1754 PolarHBondContact O-N 2.85Å |
| 1751 | A | 87 | Confident | 88 | Confident | 68 Ų | 68 | 51.8 Ų | 51.8 | 56% | 0.562 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -70.2 | -43 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E1748 A1755 | E1748-A1751 PolarHBondContact O-N 3.4Å; A1751-A1755 WeakPolarHBondContact O-CB 3.27Å; A1751-A1755 PolarHBondContact O-N 2.91Å |
| 1752 | I | 89.6 | Confident | 88.1 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.4 | -47.1 | 177.8 | -68.6 | 171.3 | 0 | 0 | 0 | 110.6 | P1448 T1745 E1748 Q1754 A1755 W1756 | P1448-I1752 HydrophobicContact CB-CD1 4.41Å; P1448-I1752 HydrophobicContact CB-CG2 4.42Å; P1448-I1752 HydrophobicContact CG-CD1 3.72Å; P1448-I1752 HydrophobicContact CG-CG1 4.36Å; T1745-I1752 HydrophobicContact CG2-CD1 3.95Å; T1745-I1752 WeakPolarHBondContact OG1-CD1 3.35Å; E1748-I1752 HydrophobicContact CB-CD1 3.7Å; E1748-I1752 HydrophobicContact CB-CG1 4.17Å; E1748-I1752 PolarHBondContact O-N 3.06Å; I1752-Q1754 VanDerWaalsContact C-N 3.34Å; I1752-Q1754 PolarHBondContact O-N 2.81Å; I1752-A1755 WeakPolarHBondContact O-CB 3.35Å; I1752-A1755 PolarHBondContact O-N 3.1Å; I1752-A1755 VanDerWaalsContact O-N 3.14Å; I1752-W1756 HydrophobicContact CG2-CD2 3.85Å; I1752-W1756 HydrophobicContact CG2-CE3 4.32Å; I1752-W1756 HydrophobicContact CG2-CG 4.46Å; I1752-W1756 HydrophobicContact CG2-CH2 3.87Å; I1752-W1756 HydrophobicContact CG2-CZ2 3.33Å; I1752-W1756 HydrophobicContact CG2-CZ3 4.33Å; I1752-W1756 VanDerWaalsContact O-CG 3.32Å; I1752-W1756 PolarHBondContact O-N 2.93Å |
| 1753 | G | 89.3 | Confident | 88.1 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.6 | -42.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | A1749 W1756 K1757 | A1749-G1753 WeakPolarHBondContact O-CA 3.42Å; A1749-G1753 PolarHBondContact O-N 2.84Å; G1753-W1756 PolarHBondContact O-N 2.85Å; G1753-K1757 WeakPolarHBondContact O-CE 3.48Å; G1753-K1757 VanDerWaalsContact O-CG 3.3Å; G1753-K1757 WeakPolarHBondContact O-CG 3.3Å; G1753-K1757 PolarHBondContact O-N 2.81Å |
| 1754 | Q | 89 | Confident | 88.1 | Confident | 65 Ų | 65 | 43.7 Ų | 43.7 | 30% | 0.304 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.5 | -40 | 174.1 | -174.5 | 171.2 | -10.1 | 0 | 0 | 112.5 | Q1750 I1752 K1757 N1758 | Q1750-Q1754 VanDerWaalsContact O-CB 3.23Å; Q1750-Q1754 WeakPolarHBondContact O-CB 3.45Å; Q1750-Q1754 PolarHBondContact O-N 2.85Å; I1752-Q1754 VanDerWaalsContact C-N 3.34Å; I1752-Q1754 PolarHBondContact O-N 2.81Å; Q1754-K1757 PolarHBondContact O-N 2.75Å; Q1754-N1758 WeakPolarHBondContact O-CB 3.48Å; Q1754-N1758 PolarHBondContact O-N 3.48Å |
| 1755 | A | 89.9 | Confident | 88.5 | Confident | 22 Ų | 22 | 40 Ų | 40 | 18% | 0.182 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.6 | -43 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q1449 A1751 I1752 N1758 N1759 | Q1449-A1755 HydrophobicContact CB-CB 3.86Å; A1751-A1755 WeakPolarHBondContact O-CB 3.27Å; A1751-A1755 PolarHBondContact O-N 2.91Å; I1752-A1755 WeakPolarHBondContact O-CB 3.35Å; I1752-A1755 PolarHBondContact O-N 3.1Å; I1752-A1755 VanDerWaalsContact O-N 3.14Å; A1755-N1758 PolarHBondContact O-N 3.46Å; A1755-N1759 WeakPolarHBondContact O-CB 3.37Å; A1755-N1759 PolarHBondContact O-N 3.01Å; A1755-N1759 PolarHBondContact O-ND2 2.89Å |
| 1756 | W | 91.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.3 | -43.1 | 175.4 | -65.4 | -12.3 | 0 | 0 | 0 | 112.1 | I1439 P1448 M1451 L1737 E1740 A1741 I1752 G1753 N1759 S1760 | I1439-W1756 HydrophobicContact CG2-CH2 3.7Å; I1439-W1756 HydrophobicContact CG2-CZ3 3.97Å; P1448-W1756 HydrophobicContact CB-CZ2 4.34Å; P1448-W1756 PolarHBondContact O-NE1 2.8Å; M1451-W1756 HydrophobicContact CE-CB 4.32Å; M1451-W1756 HydrophobicContact CE-CD2 3.65Å; M1451-W1756 HydrophobicContact CE-CE3 4.15Å; M1451-W1756 HydrophobicContact CE-CG 3.74Å; M1451-W1756 HydrophobicContact CE-CZ2 4.45Å; L1737-W1756 HydrophobicContact CB-CE3 4.38Å; L1737-W1756 HydrophobicContact CD1-CB 4.17Å; L1737-W1756 HydrophobicContact CD2-CB 4.2Å; L1737-W1756 HydrophobicContact CD2-CE3 4.01Å; E1740-W1756 HydrophobicContact CB-CZ3 4.49Å; A1741-W1756 HydrophobicContact CB-CE3 4.13Å; A1741-W1756 HydrophobicContact CB-CH2 4.32Å; A1741-W1756 HydrophobicContact CB-CZ3 3.7Å; I1752-W1756 HydrophobicContact CG2-CD2 3.85Å; I1752-W1756 HydrophobicContact CG2-CE3 4.32Å; I1752-W1756 HydrophobicContact CG2-CG 4.46Å; I1752-W1756 HydrophobicContact CG2-CH2 3.87Å; I1752-W1756 HydrophobicContact CG2-CZ2 3.33Å; I1752-W1756 HydrophobicContact CG2-CZ3 4.33Å; I1752-W1756 VanDerWaalsContact O-CG 3.32Å; I1752-W1756 PolarHBondContact O-N 2.93Å; G1753-W1756 PolarHBondContact O-N 2.85Å; W1756-N1759 PolarHBondContact O-N 3.28Å; W1756-S1760 VanDerWaalsContact O-CB 3.31Å; W1756-S1760 WeakPolarHBondContact O-CB 3.44Å; W1756-S1760 PolarHBondContact O-N 2.99Å; W1756-S1760 PolarHBondContact O-OG 2.87Å |
| 1757 | K | 93.4 | Very high | 89.8 | Confident | 19 Ų | 19 | 35 Ų | 35 | 8% | 0.083 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63 | -43.4 | 175.3 | -70.9 | -179.2 | -69.4 | -161.3 | 0 | 112.5 | F1734 L1737 D1738 G1753 Q1754 S1760 L1761 P1762 Y1833 | F1734-K1757 HydrophobicContact CB-CD 3.87Å; F1734-K1757 HydrophobicContact CB-CG 4.39Å; F1734-K1757 HydrophobicContact CD1-CB 4.32Å; F1734-K1757 HydrophobicContact CD1-CD 4.02Å; F1734-K1757 HydrophobicContact CD1-CG 3.69Å; F1734-K1757 HydrophobicContact CD2-CD 3.61Å; F1734-K1757 HydrophobicContact CD2-CG 4.11Å; F1734-K1757 HydrophobicContact CE1-CB 3.97Å; F1734-K1757 HydrophobicContact CE1-CD 4.43Å; F1734-K1757 HydrophobicContact CE1-CG 3.86Å; F1734-K1757 HydrophobicContact CE2-CB 4.31Å; F1734-K1757 HydrophobicContact CE2-CD 4.09Å; F1734-K1757 HydrophobicContact CE2-CG 4.3Å; F1734-K1757 HydrophobicContact CG-CD 3.57Å; F1734-K1757 HydrophobicContact CG-CG 3.81Å; F1734-K1757 HydrophobicContact CZ-CB 3.96Å; F1734-K1757 HydrophobicContact CZ-CD 4.46Å; F1734-K1757 HydrophobicContact CZ-CG 4.17Å; L1737-K1757 HydrophobicContact CD1-CG 4.1Å; D1738-K1757 VanDerWaalsContact OD1-CE 3.25Å; D1738-K1757 WeakPolarHBondContact OD1-CE 3.48Å; D1738-K1757 IonicContact OD1-NZ 2.68Å; D1738-K1757 PolarHBondContact OD1-NZ 3Å; D1738-K1757 IonicContact OD2-NZ 3.84Å; D1738-K1757 PolarHBondContact OD2-NZ 2.8Å; G1753-K1757 WeakPolarHBondContact O-CE 3.48Å; G1753-K1757 VanDerWaalsContact O-CG 3.3Å; G1753-K1757 WeakPolarHBondContact O-CG 3.3Å; G1753-K1757 PolarHBondContact O-N 2.81Å; Q1754-K1757 PolarHBondContact O-N 2.75Å; K1757-S1760 PolarHBondContact O-N 3.48Å; K1757-S1760 PolarHBondContact O-OG 3.14Å; K1757-S1760 VanDerWaalsContact O-OG 3.1Å; K1757-L1761 PolarHBondContact O-N 3.24Å; K1757-P1762 VanDerWaalsContact O-CD 3.24Å; K1757-P1762 WeakPolarHBondContact O-CD 3.29Å; K1757-Y1833 HydrophobicContact CB-CE1 3.94Å |
| 1758 | N | 91.5 | Very high | 90.3 | Very high | 12 Ų | 12 | 30.4 Ų | 30.4 | 6% | 0.064 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.2 | -45.1 | 173.6 | -85.3 | -12.2 | 0 | 0 | 0 | 111.8 | Q1754 A1755 P1762 L1763 C1800 Y1833 | Q1754-N1758 WeakPolarHBondContact O-CB 3.48Å; Q1754-N1758 PolarHBondContact O-N 3.48Å; A1755-N1758 PolarHBondContact O-N 3.46Å; N1758-P1762 WeakPolarHBondContact O-CD 3.36Å; N1758-L1763 WeakPolarHBondContact O-CB 3.25Å; N1758-L1763 WeakPolarHBondContact O-CG 3.22Å; N1758-L1763 PolarHBondContact O-N 3.44Å; N1758-L1763 VanDerWaalsContact O-N 3.09Å; N1758-C1800 PolarHBondContact ND2-O 3.45Å; N1758-Y1833 VanDerWaalsContact OD1-CE2 3.3Å; N1758-Y1833 WeakPolarHBondContact OD1-CE2 3.29Å; N1758-Y1833 VanDerWaalsContact OD1-CZ 3.23Å; N1758-Y1833 PolarHBondContact OD1-OH 2.98Å |
| 1759 | N | 91.5 | Very high | 90.7 | Very high | 13 Ų | 13 | 24.8 Ų | 24.8 | 7% | 0.07 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -71.8 | -28.5 | -179.3 | -67.1 | -18.8 | 0 | 0 | 0 | 112.6 | Q1449 M1451 L1452 A1755 W1756 R1764 | Q1449-N1759 PolarHBondContact O-ND2 2.02Å; M1451-N1759 WeakPolarHBondContact O-CB 3.47Å; M1451-N1759 PolarHBondContact O-ND2 3.5Å; L1452-N1759 HydrophobicContact CB-CB 3.94Å; A1755-N1759 WeakPolarHBondContact O-CB 3.37Å; A1755-N1759 PolarHBondContact O-N 3.01Å; A1755-N1759 PolarHBondContact O-ND2 2.89Å; W1756-N1759 PolarHBondContact O-N 3.28Å; N1759-R1764 WeakPolarHBondContact O-CB 3.34Å; N1759-R1764 WeakPolarHBondContact O-CD 3.25Å |
| 1760 | S | 91.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.007 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -82.2 | -47.8 | -176.4 | 70.1 | 0 | 0 | 0 | 0 | 113.5 | W1756 K1757 R1764 | W1756-S1760 VanDerWaalsContact O-CB 3.31Å; W1756-S1760 WeakPolarHBondContact O-CB 3.44Å; W1756-S1760 PolarHBondContact O-N 2.99Å; W1756-S1760 PolarHBondContact O-OG 2.87Å; K1757-S1760 PolarHBondContact O-N 3.48Å; K1757-S1760 PolarHBondContact O-OG 3.14Å; K1757-S1760 VanDerWaalsContact O-OG 3.1Å; S1760-R1764 VanDerWaalsContact O-CB 3.23Å; S1760-R1764 WeakPolarHBondContact O-CB 3.44Å |
| 1761 | L | 92.4 | Very high | 91.4 | Very high | 4 Ų | 4 | 21.4 Ų | 21.4 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -66 | -171.3 | 174.5 | 73.2 | 0 | 0 | 0 | 112.8 | I1467 L1471 I1730 F1734 K1757 L1763 F1765 W1766 F1832 | I1467-L1761 HydrophobicContact CG2-CD1 4.18Å; L1471-L1761 HydrophobicContact CD1-CD1 3.65Å; I1730-L1761 HydrophobicContact CD1-CD1 4.18Å; I1730-L1761 HydrophobicContact CG2-CD2 3.84Å; F1734-L1761 HydrophobicContact CE1-CB 4.17Å; F1734-L1761 HydrophobicContact CE1-CD2 4.36Å; F1734-L1761 HydrophobicContact CZ-CB 4.1Å; F1734-L1761 HydrophobicContact CZ-CD2 3.75Å; K1757-L1761 PolarHBondContact O-N 3.24Å; L1761-L1763 PolarHBondContact O-N 3.43Å; L1761-F1765 HydrophobicContact CD1-CB 4.2Å; L1761-F1765 HydrophobicContact CD1-CD1 3.89Å; L1761-F1765 HydrophobicContact CD1-CG 4.31Å; L1761-F1765 WeakPolarHBondContact O-CB 3.09Å; L1761-F1765 PolarHBondContact O-N 3.22Å; L1761-W1766 PolarHBondContact O-N 3.36Å; L1761-W1766 VanDerWaalsContact O-N 3.16Å; L1761-F1832 HydrophobicContact CD2-CE1 4.22Å; L1761-F1832 HydrophobicContact CD2-CZ 3.85Å |
| 1762 | P | 91.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.101 | C | C | . | . | I | π-helix | trans | -55.8 | -52.4 | -179.8 | -27.2 | 34.4 | 0 | 0 | 0 | 114.2 | K1757 N1758 W1766 V1767 F1796 C1800 F1829 Y1833 | K1757-P1762 VanDerWaalsContact O-CD 3.24Å; K1757-P1762 WeakPolarHBondContact O-CD 3.29Å; N1758-P1762 WeakPolarHBondContact O-CD 3.36Å; P1762-W1766 WeakPolarHBondContact O-CB 3.06Å; P1762-W1766 PolarHBondContact O-N 2.94Å; P1762-V1767 WeakPolarHBondContact O-CG2 3.4Å; P1762-V1767 PolarHBondContact O-N 3.05Å; P1762-F1796 HydrophobicContact CB-CE1 3.9Å; P1762-C1800 HydrophobicContact CB-CB 4.28Å; P1762-F1829 HydrophobicContact CB-CE1 3.91Å; P1762-F1829 HydrophobicContact CB-CZ 4.42Å; P1762-F1829 HydrophobicContact CG-CE1 3.79Å; P1762-Y1833 WeakPolarHBondContact CG-OH 3.35Å |
| 1763 | L | 90.7 | Very high | 91.8 | Very high | 45 Ų | 45 | 19.8 Ų | 19.8 | 24% | 0.236 | 10% | 0.1 | C | C | . | . | I | π-helix | trans | -78.8 | -30.9 | -172.2 | -64.9 | -178.5 | 0 | 0 | 0 | 113.5 | N1758 L1761 V1767 M1797 | N1758-L1763 WeakPolarHBondContact O-CB 3.25Å; N1758-L1763 WeakPolarHBondContact O-CG 3.22Å; N1758-L1763 PolarHBondContact O-N 3.44Å; N1758-L1763 VanDerWaalsContact O-N 3.09Å; L1761-L1763 PolarHBondContact O-N 3.43Å; L1763-V1767 HydrophobicContact CD2-CG2 4.44Å; L1763-M1797 HydrophobicContact CD2-CB 4.15Å; L1763-M1797 HydrophobicContact CD2-CE 4.25Å; L1763-M1797 HydrophobicContact CD2-CG 3.61Å; L1763-M1797 HydrophobicContact CD2-SD 4.47Å |
| 1764 | R | 90.4 | Very high | 91.8 | Very high | 33 Ų | 33 | 21.3 Ų | 21.3 | 13% | 0.125 | 11% | 0.107 | C | C | . | . | I | π-helix | trans | -94.6 | -41.1 | -173.8 | -123.9 | 165.1 | 177.6 | -138.1 | -17.3 | 113.9 | L1452 T1455 E1460 N1759 S1760 N1768 | L1452-R1764 VanDerWaalsContact O-CD 3.29Å; L1452-R1764 WeakPolarHBondContact O-CD 3.26Å; L1452-R1764 PolarHBondContact O-NE 2.88Å; L1452-R1764 VanDerWaalsContact O-NE 3.15Å; T1455-R1764 VanDerWaalsContact CB-NH2 3.33Å; T1455-R1764 VanDerWaalsContact CG2-NH2 3.32Å; T1455-R1764 PolarHBondContact OG1-NH2 3.06Å; E1460-R1764 PolarHBondContact O-NH1 2.82Å; E1460-R1764 PolarHBondContact O-NH2 2.91Å; N1759-R1764 WeakPolarHBondContact O-CB 3.34Å; N1759-R1764 WeakPolarHBondContact O-CD 3.25Å; S1760-R1764 VanDerWaalsContact O-CB 3.23Å; S1760-R1764 WeakPolarHBondContact O-CB 3.44Å; R1764-N1768 WeakPolarHBondContact O-CB 3.37Å |
| 1765 | F | 92.6 | Very high | 92 | Very high | 10 Ų | 10 | 19.6 Ų | 19.6 | 4% | 0.044 | 10% | 0.099 | C | C | . | . | I | π-helix | trans | -95.1 | -62 | -178.2 | 174.1 | -98.6 | 0 | 0 | 0 | 110.3 | I1467 A1468 L1471 L1475 L1761 V1767 N1768 I1769 | I1467-F1765 HydrophobicContact CG2-CB 4.01Å; I1467-F1765 HydrophobicContact CG2-CD2 4Å; I1467-F1765 HydrophobicContact CG2-CG 3.99Å; A1468-F1765 HydrophobicContact CB-CD2 4.16Å; A1468-F1765 HydrophobicContact CB-CE2 4.07Å; L1471-F1765 HydrophobicContact CB-CE1 4.17Å; L1471-F1765 HydrophobicContact CB-CE2 4.03Å; L1471-F1765 HydrophobicContact CB-CZ 3.57Å; L1471-F1765 HydrophobicContact CD1-CD1 3.6Å; L1471-F1765 HydrophobicContact CD1-CD2 4.24Å; L1471-F1765 HydrophobicContact CD1-CE1 3.35Å; L1471-F1765 HydrophobicContact CD1-CE2 4.02Å; L1471-F1765 HydrophobicContact CD1-CG 4.03Å; L1471-F1765 HydrophobicContact CD1-CZ 3.55Å; L1471-F1765 HydrophobicContact CG-CE1 4.4Å; L1471-F1765 HydrophobicContact CG-CZ 4.21Å; L1475-F1765 HydrophobicContact CD1-CE2 4.22Å; L1475-F1765 HydrophobicContact CD1-CZ 3.62Å; L1475-F1765 HydrophobicContact CD2-CE1 4.28Å; L1475-F1765 HydrophobicContact CD2-CZ 4.03Å; L1475-F1765 HydrophobicContact CG-CZ 3.96Å; L1761-F1765 HydrophobicContact CD1-CB 4.2Å; L1761-F1765 HydrophobicContact CD1-CD1 3.89Å; L1761-F1765 HydrophobicContact CD1-CG 4.31Å; L1761-F1765 WeakPolarHBondContact O-CB 3.09Å; L1761-F1765 PolarHBondContact O-N 3.22Å; F1765-V1767 PolarHBondContact O-N 2.9Å; F1765-N1768 WeakPolarHBondContact O-CB 3.24Å; F1765-N1768 PolarHBondContact O-N 3.01Å; F1765-N1768 VanDerWaalsContact O-N 3.14Å; F1765-I1769 HydrophobicContact CD2-CG1 4.21Å; F1765-I1769 HydrophobicContact CE1-CG1 4.3Å; F1765-I1769 HydrophobicContact CE2-CD1 4.34Å; F1765-I1769 HydrophobicContact CE2-CG1 3.9Å; F1765-I1769 HydrophobicContact CZ-CG1 3.97Å; F1765-I1769 WeakPolarHBondContact O-CG1 3.44Å; F1765-I1769 PolarHBondContact O-N 2.93Å |
| 1766 | W | 93.6 | Very high | 92 | Very high | 4 Ų | 4 | 18.6 Ų | 18.6 | 2% | 0.015 | 9% | 0.091 | C | C | . | . | I | π-helix | trans | -63.9 | -47.8 | -172.1 | -76.1 | 119.2 | 0 | 0 | 0 | 113.7 | Y1474 L1475 A1479 F1713 A1717 L1761 P1762 N1768 I1769 I1770 F1796 | Y1474-W1766 HydrophobicContact CD1-CH2 4.17Å; Y1474-W1766 HydrophobicContact CD1-CZ2 4.1Å; Y1474-W1766 AromaticContact CE1-CH2 3.95Å; Y1474-W1766 HydrophobicContact CE1-CH2 3.95Å; Y1474-W1766 AromaticContact CE1-CZ2 3.7Å; Y1474-W1766 HydrophobicContact CE1-CZ2 3.7Å; L1475-W1766 HydrophobicContact CD2-CH2 3.73Å; L1475-W1766 HydrophobicContact CD2-CZ3 3.65Å; A1479-W1766 HydrophobicContact CB-CH2 3.7Å; A1479-W1766 HydrophobicContact CB-CZ3 4.41Å; F1713-W1766 HydrophobicContact CE2-CE3 4.47Å; F1713-W1766 HydrophobicContact CE2-CZ3 4.32Å; F1713-W1766 HydrophobicContact CZ-CE3 4.21Å; A1717-W1766 HydrophobicContact CB-CD2 4.14Å; A1717-W1766 HydrophobicContact CB-CE3 4.08Å; A1717-W1766 HydrophobicContact CB-CH2 3.95Å; A1717-W1766 HydrophobicContact CB-CZ2 3.99Å; A1717-W1766 HydrophobicContact CB-CZ3 3.98Å; A1717-W1766 WeakPolarHBondContact O-CZ2 3.43Å; L1761-W1766 PolarHBondContact O-N 3.36Å; L1761-W1766 VanDerWaalsContact O-N 3.16Å; P1762-W1766 WeakPolarHBondContact O-CB 3.06Å; P1762-W1766 PolarHBondContact O-N 2.94Å; W1766-N1768 PolarHBondContact O-N 3.29Å; W1766-I1769 PolarHBondContact O-N 3.48Å; W1766-I1769 VanDerWaalsContact O-N 3.13Å; W1766-I1770 WeakPolarHBondContact O-CD1 3.11Å; W1766-I1770 VanDerWaalsContact O-CG1 3.23Å; W1766-I1770 WeakPolarHBondContact O-CG1 3.1Å; W1766-I1770 PolarHBondContact O-N 2.87Å; W1766-F1796 HydrophobicContact CB-CD1 4.39Å; W1766-F1796 HydrophobicContact CB-CE1 3.52Å; W1766-F1796 HydrophobicContact CB-CZ 3.71Å; W1766-F1796 HydrophobicContact CG-CE1 4.19Å; W1766-F1796 AromaticContact CG-CZ 3.93Å; W1766-F1796 HydrophobicContact CG-CZ 3.93Å |
| 1767 | V | 93 | Very high | 92 | Very high | 9 Ų | 9 | 18.5 Ų | 18.5 | 6% | 0.055 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.4 | -34.9 | 176.3 | 169.6 | 0 | 0 | 0 | 0 | 111.9 | P1762 L1763 F1765 K1771 A1793 F1796 M1797 | P1762-V1767 WeakPolarHBondContact O-CG2 3.4Å; P1762-V1767 PolarHBondContact O-N 3.05Å; L1763-V1767 HydrophobicContact CD2-CG2 4.44Å; F1765-V1767 PolarHBondContact O-N 2.9Å; V1767-K1771 HydrophobicContact CG1-CD 4.34Å; V1767-K1771 WeakPolarHBondContact O-CG 3.39Å; V1767-K1771 PolarHBondContact O-N 2.04Å; V1767-A1793 HydrophobicContact CG1-CB 4.4Å; V1767-F1796 HydrophobicContact CG2-CD1 4.15Å; V1767-M1797 HydrophobicContact CG1-CE 3.99Å; V1767-M1797 HydrophobicContact CG2-CB 4.4Å; V1767-M1797 HydrophobicContact CG2-CE 4.23Å |
| 1768 | N | 91.9 | Very high | 91.9 | Very high | 69 Ų | 69 | 18.8 Ų | 18.8 | 37% | 0.369 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -71.5 | -40.1 | 177.9 | -171.1 | 37.6 | 0 | 0 | 0 | 111.9 | R1764 F1765 W1766 N1772 | R1764-N1768 WeakPolarHBondContact O-CB 3.37Å; F1765-N1768 WeakPolarHBondContact O-CB 3.24Å; F1765-N1768 PolarHBondContact O-N 3.01Å; F1765-N1768 VanDerWaalsContact O-N 3.14Å; W1766-N1768 PolarHBondContact O-N 3.29Å; N1768-N1772 WeakPolarHBondContact O-CB 3.35Å; N1768-N1772 PolarHBondContact O-N 3.24Å; N1768-N1772 PolarHBondContact O-ND2 2.79Å; N1768-N1772 PolarHBondContact OD1-ND2 3.45Å; N1768-N1772 VanDerWaalsContact OD1-ND2 3.08Å |
| 1769 | I | 93.8 | Very high | 91.7 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -68.3 | -41 | 176.5 | -69.2 | -52.7 | 0 | 0 | 0 | 111.9 | Y1343 L1475 L1483 F1765 W1766 K1771 N1772 I1776 | Y1343-I1769 HydrophobicContact CE2-CD1 4.27Å; L1475-I1769 HydrophobicContact CD1-CD1 4.49Å; L1475-I1769 HydrophobicContact CD2-CG2 4.26Å; L1483-I1769 HydrophobicContact CD2-CG2 3.45Å; L1483-I1769 VanDerWaalsContact CD2-CG2 3.45Å; F1765-I1769 HydrophobicContact CD2-CG1 4.21Å; F1765-I1769 HydrophobicContact CE1-CG1 4.3Å; F1765-I1769 HydrophobicContact CE2-CD1 4.34Å; F1765-I1769 HydrophobicContact CE2-CG1 3.9Å; F1765-I1769 HydrophobicContact CZ-CG1 3.97Å; F1765-I1769 WeakPolarHBondContact O-CG1 3.44Å; F1765-I1769 PolarHBondContact O-N 2.93Å; W1766-I1769 PolarHBondContact O-N 3.48Å; W1766-I1769 VanDerWaalsContact O-N 3.13Å; I1769-K1771 VanDerWaalsContact C-N 3.35Å; I1769-K1771 PolarHBondContact O-N 2.92Å; I1769-N1772 CarbonylContact O-C 3.24Å; I1769-N1772 PolarHBondContact O-N 2.87Å; I1769-I1776 HydrophobicContact CB-CD1 4.48Å; I1769-I1776 HydrophobicContact CD1-CD1 4.01Å; I1769-I1776 HydrophobicContact CD1-CG1 4.29Å; I1769-I1776 HydrophobicContact CG1-CD1 4.42Å; I1769-I1776 HydrophobicContact CG2-CD1 3.37Å |
| 1770 | I | 94.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.7 | -42 | 177.9 | -64.2 | 159.9 | 0 | 0 | 0 | 111.2 | L1483 F1713 W1766 L1789 A1793 F1796 | L1483-I1770 HydrophobicContact CD1-CG1 4.43Å; F1713-I1770 HydrophobicContact CE1-CD1 3.43Å; F1713-I1770 VanDerWaalsContact CE1-CD1 3.43Å; F1713-I1770 HydrophobicContact CE1-CG1 3.51Å; F1713-I1770 HydrophobicContact CE2-CG1 4.42Å; F1713-I1770 HydrophobicContact CZ-CD1 3.64Å; F1713-I1770 HydrophobicContact CZ-CG1 3.34Å; W1766-I1770 WeakPolarHBondContact O-CD1 3.11Å; W1766-I1770 VanDerWaalsContact O-CG1 3.23Å; W1766-I1770 WeakPolarHBondContact O-CG1 3.1Å; W1766-I1770 PolarHBondContact O-N 2.87Å; I1770-L1789 HydrophobicContact CG2-CD2 4.48Å; I1770-A1793 HydrophobicContact CB-CB 4.22Å; I1770-A1793 HydrophobicContact CG2-CB 3.82Å; I1770-F1796 HydrophobicContact CD1-CB 4.06Å; I1770-F1796 HydrophobicContact CD1-CD1 4.21Å; I1770-F1796 HydrophobicContact CD1-CD2 4.05Å; I1770-F1796 HydrophobicContact CD1-CG 3.86Å |
| 1771 | K | 92 | Very high | 91.2 | Very high | 68 Ų | 68 | 23.6 Ų | 23.6 | 30% | 0.296 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -75 | -25.6 | 178.9 | -70.3 | -177 | 176.2 | -171.3 | 0 | 113.2 | V1767 I1769 P1773 K1781 A1793 | V1767-K1771 HydrophobicContact CG1-CD 4.34Å; V1767-K1771 WeakPolarHBondContact O-CG 3.39Å; V1767-K1771 PolarHBondContact O-N 2.04Å; I1769-K1771 VanDerWaalsContact C-N 3.35Å; I1769-K1771 PolarHBondContact O-N 2.92Å; K1771-P1773 WeakPolarHBondContact O-CD 3.5Å; K1771-K1781 PolarHBondContact O-NZ 2.84Å; K1771-A1793 HydrophobicContact CD-CB 4.28Å; K1771-A1793 HydrophobicContact CG-CB 3.72Å |
| 1772 | N | 91.9 | Very high | 90.9 | Very high | 39 Ų | 39 | 25 Ų | 25 | 21% | 0.209 | 13% | 0.126 | C | C | . | . | trans | -124.5 | 63.4 | -178.6 | -53.3 | -73.8 | 0 | 0 | 0 | 111.1 | N1768 I1769 D1774 F1775 K1781 | N1768-N1772 WeakPolarHBondContact O-CB 3.35Å; N1768-N1772 PolarHBondContact O-N 3.24Å; N1768-N1772 PolarHBondContact O-ND2 2.79Å; N1768-N1772 PolarHBondContact OD1-ND2 3.45Å; N1768-N1772 VanDerWaalsContact OD1-ND2 3.08Å; I1769-N1772 CarbonylContact O-C 3.24Å; I1769-N1772 PolarHBondContact O-N 2.87Å; N1772-D1774 VanDerWaalsContact CA-OD1 3.29Å; N1772-D1774 WeakPolarHBondContact CA-OD1 3.45Å; N1772-D1774 PolarHBondContact O-N 2.92Å; N1772-F1775 HydrophobicContact CB-CD1 3.79Å; N1772-F1775 HydrophobicContact CB-CD2 3.73Å; N1772-F1775 HydrophobicContact CB-CE1 3.77Å; N1772-F1775 HydrophobicContact CB-CE2 3.71Å; N1772-F1775 HydrophobicContact CB-CG 3.78Å; N1772-F1775 HydrophobicContact CB-CZ 3.73Å; N1772-F1775 WeakPolarHBondContact O-CB 3.43Å; N1772-F1775 PolarHBondContact O-N 2.7Å; N1772-K1781 PolarHBondContact OD1-NZ 3.48Å | ||
| 1773 | P | 91.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -60.7 | -25.3 | 176.3 | 28.5 | -36.8 | 0 | 0 | 0 | 111.5 | F1487 K1771 F1775 I1776 F1777 K1781 L1789 | F1487-P1773 HydrophobicContact CD2-CB 4.46Å; F1487-P1773 HydrophobicContact CD2-CG 3.91Å; F1487-P1773 HydrophobicContact CE2-CG 4.38Å; K1771-P1773 WeakPolarHBondContact O-CD 3.5Å; P1773-F1775 PolarHBondContact O-N 3.24Å; P1773-F1775 VanDerWaalsContact O-N 3.14Å; P1773-I1776 PolarHBondContact O-N 3.03Å; P1773-F1777 HydrophobicContact CB-CD2 3.98Å; P1773-F1777 HydrophobicContact CB-CE2 4.23Å; P1773-F1777 VanDerWaalsContact O-CD2 3.26Å; P1773-F1777 WeakPolarHBondContact O-CD2 3.41Å; P1773-F1777 PolarHBondContact O-N 3.04Å; P1773-K1781 HydrophobicContact CG-CD 4.05Å; P1773-L1789 HydrophobicContact CG-CD1 3.63Å |
| 1774 | D | 90.5 | Very high | 90.7 | Very high | 31 Ų | 31 | 26.3 Ų | 26.3 | 17% | 0.166 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -63.4 | -9.9 | 172.2 | 60.7 | -67.7 | 0 | 0 | 0 | 113.6 | H1338 R1346 N1772 I1776 F1777 K1781 | H1338-D1774 PolarHBondContact CD2-O 3.01Å; H1338-D1774 VanDerWaalsContact CD2-O 3.29Å; H1338-D1774 PolarHBondContact NE2-O 3.3Å; R1346-D1774 WeakPolarHBondContact CD-O 3.44Å; R1346-D1774 PolarHBondContact NH1-O 3.48Å; N1772-D1774 VanDerWaalsContact CA-OD1 3.29Å; N1772-D1774 WeakPolarHBondContact CA-OD1 3.45Å; N1772-D1774 PolarHBondContact O-N 2.92Å; D1774-I1776 VanDerWaalsContact C-N 3.35Å; D1774-F1777 WeakPolarHBondContact CA-O 3.37Å; D1774-K1781 WeakPolarHBondContact OD1-CE 3.27Å; D1774-K1781 IonicContact OD1-NZ 3.89Å; D1774-K1781 PolarHBondContact OD1-NZ 3.21Å |
| 1775 | F | 91.8 | Very high | 90.7 | Very high | 30 Ų | 30 | 24.7 Ų | 24.7 | 13% | 0.132 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -72.8 | -32.7 | 168.3 | -69.9 | -0.5 | 0 | 0 | 0 | 111.9 | Y1343 R1346 V1347 N1772 P1773 | Y1343-F1775 WeakPolarHBondContact CD2-O 3.41Å; R1346-F1775 HydrophobicContact CB-CB 4.46Å; R1346-F1775 HydrophobicContact CB-CD1 4.03Å; R1346-F1775 HydrophobicContact CB-CG 4.28Å; V1347-F1775 HydrophobicContact CG2-CD2 4.39Å; N1772-F1775 HydrophobicContact CB-CD1 3.79Å; N1772-F1775 HydrophobicContact CB-CD2 3.73Å; N1772-F1775 HydrophobicContact CB-CE1 3.77Å; N1772-F1775 HydrophobicContact CB-CE2 3.71Å; N1772-F1775 HydrophobicContact CB-CG 3.78Å; N1772-F1775 HydrophobicContact CB-CZ 3.73Å; N1772-F1775 WeakPolarHBondContact O-CB 3.43Å; N1772-F1775 PolarHBondContact O-N 2.7Å; P1773-F1775 PolarHBondContact O-N 3.24Å; P1773-F1775 VanDerWaalsContact O-N 3.14Å |
| 1776 | I | 91.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -35.1 | -175.3 | -59.2 | 172.4 | 0 | 0 | 0 | 111.3 | F1337 H1338 Y1343 L1475 L1483 I1769 P1773 D1774 | F1337-I1776 CarbonylContact C-O 3.49Å; F1337-I1776 WeakPolarHBondContact CA-O 3.42Å; F1337-I1776 HydrophobicContact CD1-CG2 3.49Å; F1337-I1776 VanDerWaalsContact CD1-CG2 3.49Å; F1337-I1776 HydrophobicContact CE1-CG2 3.7Å; H1338-I1776 PolarHBondContact N-O 3.29Å; Y1343-I1776 HydrophobicContact CD2-CG1 3.96Å; Y1343-I1776 HydrophobicContact CE2-CG1 3.77Å; L1475-I1776 HydrophobicContact CB-CD1 4.19Å; L1475-I1776 HydrophobicContact CD1-CD1 3.46Å; L1475-I1776 VanDerWaalsContact CD1-CD1 3.46Å; L1475-I1776 HydrophobicContact CD1-CG1 4.06Å; L1475-I1776 HydrophobicContact CD2-CD1 3.73Å; L1475-I1776 HydrophobicContact CG-CD1 3.98Å; L1483-I1776 HydrophobicContact CD2-CD1 4.35Å; I1769-I1776 HydrophobicContact CB-CD1 4.48Å; I1769-I1776 HydrophobicContact CD1-CD1 4.01Å; I1769-I1776 HydrophobicContact CD1-CG1 4.29Å; I1769-I1776 HydrophobicContact CG1-CD1 4.42Å; I1769-I1776 HydrophobicContact CG2-CD1 3.37Å; P1773-I1776 PolarHBondContact O-N 3.03Å; D1774-I1776 VanDerWaalsContact C-N 3.35Å |
| 1777 | F | 91.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | B | Isolated β-bridge | trans | -117.3 | 142.3 | -174.4 | -43 | -64.6 | 0 | 0 | 0 | 112.2 | I1335 P1336 F1337 H1338 G1480 L1483 F1484 P1773 D1774 V1779 | I1335-F1777 HydrophobicContact CG2-CD1 3.39Å; I1335-F1777 HydrophobicContact CG2-CE1 3.47Å; I1335-F1777 VanDerWaalsContact CG2-CE1 3.47Å; I1335-F1777 HydrophobicContact CG2-CG 4.43Å; P1336-F1777 CarbonylContact O-C 3.46Å; P1336-F1777 WeakPolarHBondContact O-CA 3.44Å; F1337-F1777 AromaticContact CD1-CD1 3.97Å; F1337-F1777 HydrophobicContact CD1-CD1 3.97Å; F1337-F1777 AromaticContact CD1-CE1 3.75Å; F1337-F1777 HydrophobicContact CD1-CE1 3.75Å; F1337-F1777 HydrophobicContact CE1-CD1 4.12Å; F1337-F1777 AromaticContact CE1-CE1 3.42Å; F1337-F1777 HydrophobicContact CE1-CE1 3.42Å; F1337-F1777 VanDerWaalsContact CE1-CE1 3.42Å; F1337-F1777 HydrophobicContact CE1-CZ 4.36Å; F1337-F1777 HydrophobicContact CG-CD1 4.42Å; F1337-F1777 HydrophobicContact CG-CE1 4.49Å; F1337-F1777 AromaticContact CZ-CE1 3.92Å; F1337-F1777 HydrophobicContact CZ-CE1 3.92Å; H1338-F1777 VanDerWaalsContact CD2-C 3.49Å; H1338-F1777 PolarHBondContact CD2-O 3.11Å; H1338-F1777 PolarHBondContact NE2-O 2.72Å; G1480-F1777 WeakPolarHBondContact O-CZ 3.44Å; L1483-F1777 HydrophobicContact CB-CE2 4.34Å; L1483-F1777 HydrophobicContact CB-CZ 4.36Å; L1483-F1777 HydrophobicContact CD2-CE2 4.04Å; L1483-F1777 HydrophobicContact CD2-CZ 4.45Å; L1483-F1777 HydrophobicContact CG-CE2 4.02Å; L1483-F1777 HydrophobicContact CG-CZ 4.49Å; F1484-F1777 HydrophobicContact CB-CD1 4.38Å; F1484-F1777 HydrophobicContact CB-CD2 4.39Å; F1484-F1777 HydrophobicContact CB-CE1 3.9Å; F1484-F1777 HydrophobicContact CB-CE2 3.94Å; F1484-F1777 HydrophobicContact CB-CZ 3.69Å; F1484-F1777 HydrophobicContact CD2-CB 4.1Å; F1484-F1777 AromaticContact CD2-CD1 3.88Å; F1484-F1777 HydrophobicContact CD2-CD1 3.88Å; F1484-F1777 AromaticContact CD2-CD2 3.87Å; F1484-F1777 HydrophobicContact CD2-CD2 3.87Å; F1484-F1777 HydrophobicContact CD2-CE1 4.27Å; F1484-F1777 HydrophobicContact CD2-CE2 4.29Å; F1484-F1777 AromaticContact CD2-CG 3.67Å; F1484-F1777 HydrophobicContact CD2-CG 3.67Å; F1484-F1777 HydrophobicContact CD2-CZ 4.49Å; F1484-F1777 HydrophobicContact CE2-CB 4.34Å; F1484-F1777 HydrophobicContact CE2-CG 4.38Å; F1484-F1777 HydrophobicContact CG-CD1 4.47Å; F1484-F1777 HydrophobicContact CG-CE1 4.45Å; P1773-F1777 HydrophobicContact CB-CD2 3.98Å; P1773-F1777 HydrophobicContact CB-CE2 4.23Å; P1773-F1777 VanDerWaalsContact O-CD2 3.26Å; P1773-F1777 WeakPolarHBondContact O-CD2 3.41Å; P1773-F1777 PolarHBondContact O-N 3.04Å; D1774-F1777 WeakPolarHBondContact CA-O 3.37Å; F1777-V1779 VanDerWaalsContact C-N 3.28Å; F1777-V1779 HydrophobicContact CB-CG1 3.84Å; F1777-V1779 HydrophobicContact CB-CG2 4.03Å; F1777-V1779 PolarHBondContact O-N 3.1Å |
| 1778 | D | 90.5 | Very high | 90.6 | Very high | 24 Ų | 24 | 27 Ų | 27 | 13% | 0.128 | 14% | 0.143 | C | C | . | . | trans | -80.8 | 74.3 | 171.7 | -164.6 | -4.9 | 0 | 0 | 0 | 111.1 | P1336 H1338 A1577 Y1578 S1579 | P1336-D1778 HydrophobicContact CB-CB 4.38Å; P1336-D1778 PolarHBondContact O-N 2.92Å; H1338-D1778 WeakPolarHBondContact CE1-CA 3.48Å; H1338-D1778 WeakPolarHBondContact CE1-CB 3.38Å; H1338-D1778 VanDerWaalsContact CE1-CG 3.48Å; H1338-D1778 IonicContact CE1-OD1 3.99Å; H1338-D1778 IonicContact CE1-OD2 3.95Å; A1577-D1778 HydrophobicContact CB-CB 3.93Å; A1577-D1778 WeakPolarHBondContact CB-OD2 3.42Å; Y1578-D1778 PolarHBondContact N-O 3.22Å; S1579-D1778 VanDerWaalsContact CB-OD2 3.27Å; S1579-D1778 WeakPolarHBondContact CB-OD2 3.5Å; S1579-D1778 PolarHBondContact N-OD1 3.03Å; S1579-D1778 PolarHBondContact OG-OD2 2.86Å | ||
| 1779 | V | 86.8 | Confident | 90.7 | Very high | 20 Ų | 20 | 23.8 Ų | 23.8 | 12% | 0.121 | 13% | 0.126 | C | C | . | . | trans | -129.2 | 153.1 | -175.1 | -64 | 0 | 0 | 0 | 0 | 112.1 | P1336 F1484 F1487 F1777 | P1336-V1779 HydrophobicContact CG-CG1 4.2Å; F1484-V1779 HydrophobicContact CD2-CG1 4.34Å; F1484-V1779 HydrophobicContact CE2-CG1 3.58Å; F1487-V1779 HydrophobicContact CD1-CB 4.48Å; F1487-V1779 HydrophobicContact CD1-CG1 4.38Å; F1487-V1779 HydrophobicContact CD1-CG2 4.29Å; F1487-V1779 HydrophobicContact CE1-CB 3.6Å; F1487-V1779 HydrophobicContact CE1-CG1 3.81Å; F1487-V1779 HydrophobicContact CE1-CG2 3.68Å; F1487-V1779 HydrophobicContact CE2-CG2 4.16Å; F1487-V1779 HydrophobicContact CZ-CB 3.76Å; F1487-V1779 HydrophobicContact CZ-CG1 4.47Å; F1487-V1779 HydrophobicContact CZ-CG2 3.59Å; F1777-V1779 VanDerWaalsContact C-N 3.28Å; F1777-V1779 HydrophobicContact CB-CG1 3.84Å; F1777-V1779 HydrophobicContact CB-CG2 4.03Å; F1777-V1779 PolarHBondContact O-N 3.1Å | ||
| 1780 | D | 86.2 | Confident | 90.7 | Very high | 59 Ų | 59 | 25.7 Ų | 25.7 | 32% | 0.316 | 14% | 0.139 | S | C | . | . | trans | -85 | 111.2 | 169 | -173.6 | 24.7 | 0 | 0 | 0 | 111.5 | F1487 Y1578 T1782 | F1487-D1780 WeakPolarHBondContact CZ-O 3.38Å; Y1578-D1780 HydrophobicContact CD1-CB 4.3Å; Y1578-D1780 HydrophobicContact CD2-CB 3.57Å; Y1578-D1780 HydrophobicContact CE1-CB 4.21Å; Y1578-D1780 HydrophobicContact CE2-CB 3.44Å; Y1578-D1780 VanDerWaalsContact CE2-CB 3.44Å; Y1578-D1780 HydrophobicContact CG-CB 3.97Å; D1780-T1782 PolarHBondContact O-N 2.95Å | ||
| 1781 | K | 86.6 | Confident | 90.6 | Very high | 48 Ų | 48 | 26 Ų | 26 | 21% | 0.209 | 14% | 0.142 | C | C | . | . | trans | -90.2 | 99 | 177.7 | -173.6 | 176.5 | 74.2 | -172.9 | 0 | 109.6 | F1487 K1771 N1772 P1773 D1774 D1786 L1789 | F1487-K1781 HydrophobicContact CE2-CB 4.33Å; F1487-K1781 HydrophobicContact CE2-CG 4.36Å; K1771-K1781 PolarHBondContact O-NZ 2.84Å; N1772-K1781 PolarHBondContact OD1-NZ 3.48Å; P1773-K1781 HydrophobicContact CG-CD 4.05Å; D1774-K1781 WeakPolarHBondContact OD1-CE 3.27Å; D1774-K1781 IonicContact OD1-NZ 3.89Å; D1774-K1781 PolarHBondContact OD1-NZ 3.21Å; K1781-D1786 HydrophobicContact CD-CB 4.18Å; K1781-D1786 WeakPolarHBondContact CE-OD1 3.34Å; K1781-D1786 HydrophobicContact CG-CB 4.13Å; K1781-D1786 IonicContact NZ-OD1 2.71Å; K1781-D1786 PolarHBondContact NZ-OD1 3.14Å; K1781-L1789 HydrophobicContact CD-CD1 4.33Å | ||
| 1782 | T | 87.2 | Confident | 90.6 | Very high | 35 Ų | 35 | 22.8 Ų | 22.8 | 22% | 0.215 | 13% | 0.128 | C | C | . | . | trans | -68.4 | 154.7 | 176.8 | 68.2 | 0 | 0 | 0 | 0 | 111.7 | D1780 T1784 V1785 D1786 | D1780-T1782 PolarHBondContact O-N 2.95Å; T1782-T1784 VanDerWaalsContact C-N 3.28Å; T1782-T1784 PolarHBondContact O-N 2.77Å; T1782-V1785 PolarHBondContact O-N 2.88Å; T1782-V1785 VanDerWaalsContact O-N 3.15Å; T1782-V1785 VanDerWaalsContact OG1-CG2 3.23Å; T1782-V1785 WeakPolarHBondContact OG1-CG2 3.49Å; T1782-V1785 PolarHBondContact OG1-N 2.97Å; T1782-D1786 PolarHBondContact O-N 3.06Å | ||
| 1783 | V | 88.5 | Confident | 90.7 | Very high | 67 Ų | 67 | 21 Ų | 21 | 41% | 0.406 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -58.3 | -38.7 | -177.6 | -179.2 | 0 | 0 | 0 | 0 | 112.2 | A1504 S1787 | A1504-V1783 HydrophobicContact CB-CB 4.1Å; A1504-V1783 HydrophobicContact CB-CG1 4.46Å; V1783-S1787 PolarHBondContact O-N 3.28Å; V1783-S1787 VanDerWaalsContact O-N 3.13Å |
| 1784 | T | 88.5 | Confident | 90.7 | Very high | 4 Ų | 4 | 24.1 Ų | 24.1 | 3% | 0.025 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.5 | -44.2 | 177.7 | -38.9 | 0 | 0 | 0 | 0 | 111.3 | T1494 A1504 A1506 R1514 T1782 S1787 C1788 | T1494-T1784 HydrophobicContact CG2-CG2 3.79Å; A1504-T1784 PolarHBondContact O-OG1 2.8Å; A1506-T1784 HydrophobicContact CB-CG2 3.59Å; R1514-T1784 HydrophobicContact CB-CG2 4.38Å; T1782-T1784 VanDerWaalsContact C-N 3.28Å; T1782-T1784 PolarHBondContact O-N 2.77Å; T1784-S1787 PolarHBondContact O-N 2.93Å; T1784-S1787 PolarHBondContact O-OG 2.83Å; T1784-C1788 PolarHBondContact O-N 3.5Å; T1784-C1788 PolarHBondContact O-SG 3.37Å |
| 1785 | V | 90.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.1 | -40.1 | 178.5 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | F1487 L1490 K1491 T1494 T1782 S1787 C1788 L1789 | F1487-V1785 HydrophobicContact CD2-CG1 3.77Å; F1487-V1785 HydrophobicContact CE2-CG1 3.75Å; L1490-V1785 HydrophobicContact CB-CG1 4.27Å; K1491-V1785 HydrophobicContact CB-CG2 3.92Å; K1491-V1785 HydrophobicContact CG-CG2 4.24Å; T1494-V1785 HydrophobicContact CG2-CG2 4.42Å; T1782-V1785 PolarHBondContact O-N 2.88Å; T1782-V1785 VanDerWaalsContact O-N 3.15Å; T1782-V1785 VanDerWaalsContact OG1-CG2 3.23Å; T1782-V1785 WeakPolarHBondContact OG1-CG2 3.49Å; T1782-V1785 PolarHBondContact OG1-N 2.97Å; V1785-S1787 VanDerWaalsContact C-N 3.27Å; V1785-S1787 PolarHBondContact O-N 2.59Å; V1785-C1788 PolarHBondContact O-N 3.36Å; V1785-C1788 VanDerWaalsContact O-N 3.1Å; V1785-L1789 HydrophobicContact CG1-CD1 4.06Å; V1785-L1789 HydrophobicContact CG1-CG 4.36Å; V1785-L1789 WeakPolarHBondContact O-CG 3.43Å; V1785-L1789 PolarHBondContact O-N 3.25Å |
| 1786 | D | 91.7 | Very high | 90.7 | Very high | 56 Ų | 56 | 21.4 Ų | 21.4 | 30% | 0.299 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -57.8 | -40.4 | 173.6 | -172 | 57 | 0 | 0 | 0 | 112 | K1781 T1782 S1790 | K1781-D1786 HydrophobicContact CD-CB 4.18Å; K1781-D1786 WeakPolarHBondContact CE-OD1 3.34Å; K1781-D1786 HydrophobicContact CG-CB 4.13Å; K1781-D1786 IonicContact NZ-OD1 2.71Å; K1781-D1786 PolarHBondContact NZ-OD1 3.14Å; T1782-D1786 PolarHBondContact O-N 3.06Å; D1786-S1790 WeakPolarHBondContact O-CB 3.06Å; D1786-S1790 PolarHBondContact O-N 3.13Å; D1786-S1790 PolarHBondContact O-OG 2.88Å |
| 1787 | S | 91.8 | Very high | 90.6 | Very high | 16 Ų | 16 | 24.5 Ų | 24.5 | 11% | 0.112 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.9 | -38 | 175 | 82.8 | 0 | 0 | 0 | 0 | 112.6 | S1511 R1514 V1783 T1784 V1785 S1790 V1791 | S1511-S1787 WeakPolarHBondContact CB-OG 3.47Å; R1514-S1787 WeakPolarHBondContact CG-OG 2.88Å; V1783-S1787 PolarHBondContact O-N 3.28Å; V1783-S1787 VanDerWaalsContact O-N 3.13Å; T1784-S1787 PolarHBondContact O-N 2.93Å; T1784-S1787 PolarHBondContact O-OG 2.83Å; V1785-S1787 VanDerWaalsContact C-N 3.27Å; V1785-S1787 PolarHBondContact O-N 2.59Å; S1787-S1790 WeakPolarHBondContact O-CB 3.34Å; S1787-S1790 PolarHBondContact O-N 3.34Å; S1787-V1791 PolarHBondContact O-N 3.32Å |
| 1788 | C | 93 | Very high | 90.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.5 | -43.1 | 176.5 | -65.3 | 0 | 0 | 0 | 0 | 112 | L1490 L1510 T1784 V1785 S1790 V1791 V1792 | L1490-C1788 HydrophobicContact CD1-CB 4.04Å; L1490-C1788 HydrophobicContact CD2-CB 3.88Å; L1490-C1788 HydrophobicContact CG-CB 4.42Å; L1510-C1788 HydrophobicContact CB-CB 4.18Å; L1510-C1788 HydrophobicContact CD1-CB 4.33Å; L1510-C1788 HydrophobicContact CG-CB 4.42Å; L1510-C1788 PolarHBondContact N-SG 3.46Å; T1784-C1788 PolarHBondContact O-N 3.5Å; T1784-C1788 PolarHBondContact O-SG 3.37Å; V1785-C1788 PolarHBondContact O-N 3.36Å; V1785-C1788 VanDerWaalsContact O-N 3.1Å; C1788-S1790 PolarHBondContact O-N 3.32Å; C1788-V1791 WeakPolarHBondContact O-CB 3.25Å; C1788-V1791 PolarHBondContact O-N 3.4Å; C1788-V1791 VanDerWaalsContact O-N 3.09Å; C1788-V1792 PolarHBondContact O-N 3.49Å; C1788-V1792 VanDerWaalsContact O-N 3.11Å |
| 1789 | L | 93.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.8 | -33.6 | 174 | -72.6 | 167.9 | 0 | 0 | 0 | 111.9 | F1487 L1490 I1770 P1773 K1781 V1785 V1791 V1792 A1793 | F1487-L1789 HydrophobicContact CD2-CD1 4.2Å; L1490-L1789 HydrophobicContact CD1-CD2 3.68Å; L1490-L1789 HydrophobicContact CD1-CG 3.94Å; I1770-L1789 HydrophobicContact CG2-CD2 4.48Å; P1773-L1789 HydrophobicContact CG-CD1 3.63Å; K1781-L1789 HydrophobicContact CD-CD1 4.33Å; V1785-L1789 HydrophobicContact CG1-CD1 4.06Å; V1785-L1789 HydrophobicContact CG1-CG 4.36Å; V1785-L1789 WeakPolarHBondContact O-CG 3.43Å; V1785-L1789 PolarHBondContact O-N 3.25Å; L1789-V1791 VanDerWaalsContact C-N 3.34Å; L1789-V1792 PolarHBondContact O-N 3.13Å; L1789-A1793 VanDerWaalsContact O-CB 3.29Å; L1789-A1793 WeakPolarHBondContact O-CB 3.27Å; L1789-A1793 PolarHBondContact O-N 3.27Å |
| 1790 | S | 93.1 | Very high | 90.5 | Very high | 42 Ų | 42 | 23.4 Ų | 23.4 | 29% | 0.294 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -64.7 | -35.8 | 173.5 | -69.2 | 0 | 0 | 0 | 0 | 112.7 | D1786 S1787 C1788 Q1794 | D1786-S1790 WeakPolarHBondContact O-CB 3.06Å; D1786-S1790 PolarHBondContact O-N 3.13Å; D1786-S1790 PolarHBondContact O-OG 2.88Å; S1787-S1790 WeakPolarHBondContact O-CB 3.34Å; S1787-S1790 PolarHBondContact O-N 3.34Å; C1788-S1790 PolarHBondContact O-N 3.32Å; S1790-Q1794 WeakPolarHBondContact O-CB 3.39Å; S1790-Q1794 PolarHBondContact O-N 3.37Å |
| 1791 | V | 92.6 | Very high | 90.3 | Very high | 8 Ų | 8 | 22.3 Ų | 22.3 | 5% | 0.048 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.5 | -43.9 | 172.6 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | L1510 S1787 C1788 L1789 Q1794 A1795 N1814 F1818 | L1510-V1791 HydrophobicContact CB-CB 4.44Å; S1787-V1791 PolarHBondContact O-N 3.32Å; C1788-V1791 WeakPolarHBondContact O-CB 3.25Å; C1788-V1791 PolarHBondContact O-N 3.4Å; C1788-V1791 VanDerWaalsContact O-N 3.09Å; L1789-V1791 VanDerWaalsContact C-N 3.34Å; V1791-Q1794 WeakPolarHBondContact O-CB 3.2Å; V1791-Q1794 PolarHBondContact O-N 2.95Å; V1791-A1795 PolarHBondContact O-N 3.07Å; V1791-N1814 HydrophobicContact CG1-CB 4.26Å; V1791-N1814 HydrophobicContact CG2-CB 4.23Å; V1791-F1818 HydrophobicContact CG1-CD2 4.17Å; V1791-F1818 HydrophobicContact CG1-CE2 3.88Å |
| 1792 | V | 93.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.7 | -42 | 176.8 | -179.3 | 0 | 0 | 0 | 0 | 111.7 | L1486 L1510 V1710 C1788 L1789 Q1794 A1795 F1796 | L1486-V1792 HydrophobicContact CD2-CG1 3.99Å; L1510-V1792 HydrophobicContact CD1-CG2 4.14Å; V1710-V1792 HydrophobicContact CG1-CG1 4.09Å; V1710-V1792 HydrophobicContact CG2-CG1 4.43Å; V1710-V1792 HydrophobicContact CG2-CG2 4.01Å; C1788-V1792 PolarHBondContact O-N 3.49Å; C1788-V1792 VanDerWaalsContact O-N 3.11Å; L1789-V1792 PolarHBondContact O-N 3.13Å; V1792-Q1794 VanDerWaalsContact C-N 3.29Å; V1792-Q1794 PolarHBondContact O-N 2.84Å; V1792-A1795 PolarHBondContact O-N 3.49Å; V1792-F1796 PolarHBondContact O-N 2.95Å |
| 1793 | A | 93.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.4 | -34.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1767 I1770 K1771 L1789 F1796 M1797 | V1767-A1793 HydrophobicContact CG1-CB 4.4Å; I1770-A1793 HydrophobicContact CB-CB 4.22Å; I1770-A1793 HydrophobicContact CG2-CB 3.82Å; K1771-A1793 HydrophobicContact CD-CB 4.28Å; K1771-A1793 HydrophobicContact CG-CB 3.72Å; L1789-A1793 VanDerWaalsContact O-CB 3.29Å; L1789-A1793 WeakPolarHBondContact O-CB 3.27Å; L1789-A1793 PolarHBondContact O-N 3.27Å; A1793-F1796 PolarHBondContact O-N 3.45Å; A1793-M1797 WeakPolarHBondContact O-CB 3.49Å; A1793-M1797 PolarHBondContact O-N 3.42Å |
| 1794 | Q | 90.4 | Very high | 87.9 | Confident | 65 Ų | 65 | 30.4 Ų | 30.4 | 30% | 0.304 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66.9 | -42.8 | 173.2 | -174.4 | 59.9 | 42.6 | 0 | 0 | 111.2 | S1790 V1791 V1792 F1796 M1797 D1798 | S1790-Q1794 WeakPolarHBondContact O-CB 3.39Å; S1790-Q1794 PolarHBondContact O-N 3.37Å; V1791-Q1794 WeakPolarHBondContact O-CB 3.2Å; V1791-Q1794 PolarHBondContact O-N 2.95Å; V1792-Q1794 VanDerWaalsContact C-N 3.29Å; V1792-Q1794 PolarHBondContact O-N 2.84Å; Q1794-F1796 PolarHBondContact O-N 2.87Å; Q1794-M1797 WeakPolarHBondContact O-CB 3.44Å; Q1794-M1797 PolarHBondContact O-N 3.24Å; Q1794-D1798 PolarHBondContact NE2-OD1 3.27Å; Q1794-D1798 PolarHBondContact NE2-OD2 2.85Å; Q1794-D1798 WeakPolarHBondContact O-CB 3.15Å; Q1794-D1798 VanDerWaalsContact O-CG 3.26Å; Q1794-D1798 PolarHBondContact O-N 2.89Å |
| 1795 | A | 90.6 | Very high | 86.9 | Confident | 5 Ų | 5 | 33.5 Ų | 33.5 | 4% | 0.041 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62 | -40.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1791 V1792 D1798 A1799 F1818 | V1791-A1795 PolarHBondContact O-N 3.07Å; V1792-A1795 PolarHBondContact O-N 3.49Å; A1795-D1798 PolarHBondContact O-N 2.7Å; A1795-A1799 VanDerWaalsContact O-CB 3.28Å; A1795-A1799 WeakPolarHBondContact O-CB 3.27Å; A1795-A1799 PolarHBondContact O-N 3.01Å; A1795-F1818 HydrophobicContact CB-CB 4Å; A1795-F1818 HydrophobicContact CB-CD2 3.92Å; A1795-F1818 HydrophobicContact CB-CG 3.94Å |
| 1796 | F | 92.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.9 | -41.6 | 174.2 | -168.8 | -87.7 | 0 | 0 | 0 | 112 | F1713 I1714 L1718 P1762 W1766 V1767 I1770 V1792 A1793 Q1794 A1799 C1800 F1829 | F1713-F1796 HydrophobicContact CE1-CD2 4.26Å; F1713-F1796 HydrophobicContact CE1-CE2 4.41Å; I1714-F1796 HydrophobicContact CG1-CD2 4.13Å; L1718-F1796 HydrophobicContact CD1-CE2 4.41Å; L1718-F1796 HydrophobicContact CD2-CZ 4.12Å; L1718-F1796 HydrophobicContact CG-CE2 4.42Å; L1718-F1796 HydrophobicContact CG-CZ 4.47Å; P1762-F1796 HydrophobicContact CB-CE1 3.9Å; W1766-F1796 HydrophobicContact CB-CD1 4.39Å; W1766-F1796 HydrophobicContact CB-CE1 3.52Å; W1766-F1796 HydrophobicContact CB-CZ 3.71Å; W1766-F1796 HydrophobicContact CG-CE1 4.19Å; W1766-F1796 AromaticContact CG-CZ 3.93Å; W1766-F1796 HydrophobicContact CG-CZ 3.93Å; V1767-F1796 HydrophobicContact CG2-CD1 4.15Å; I1770-F1796 HydrophobicContact CD1-CB 4.06Å; I1770-F1796 HydrophobicContact CD1-CD1 4.21Å; I1770-F1796 HydrophobicContact CD1-CD2 4.05Å; I1770-F1796 HydrophobicContact CD1-CG 3.86Å; V1792-F1796 PolarHBondContact O-N 2.95Å; A1793-F1796 PolarHBondContact O-N 3.45Å; Q1794-F1796 PolarHBondContact O-N 2.87Å; F1796-A1799 PolarHBondContact O-N 2.72Å; F1796-C1800 PolarHBondContact O-N 2.87Å; F1796-F1829 HydrophobicContact CD1-CZ 4.05Å; F1796-F1829 HydrophobicContact CD2-CZ 4.27Å; F1796-F1829 HydrophobicContact CE1-CE1 4.29Å; F1796-F1829 AromaticContact CE1-CZ 3.64Å; F1796-F1829 HydrophobicContact CE1-CZ 3.64Å; F1796-F1829 HydrophobicContact CE2-CE2 4.41Å; F1796-F1829 AromaticContact CE2-CZ 3.87Å; F1796-F1829 HydrophobicContact CE2-CZ 3.87Å; F1796-F1829 HydrophobicContact CG-CZ 4.36Å; F1796-F1829 HydrophobicContact CZ-CE1 4.18Å; F1796-F1829 HydrophobicContact CZ-CE2 4.48Å; F1796-F1829 AromaticContact CZ-CZ 3.54Å; F1796-F1829 HydrophobicContact CZ-CZ 3.54Å |
| 1797 | M | 90.3 | Very high | 85.1 | Confident | 65 Ų | 65 | 43.8 Ų | 43.8 | 32% | 0.32 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.2 | -45.5 | 174.7 | 179 | 175.6 | -55.9 | 0 | 0 | 111.8 | L1763 V1767 A1793 Q1794 A1799 C1800 | L1763-M1797 HydrophobicContact CD2-CB 4.15Å; L1763-M1797 HydrophobicContact CD2-CE 4.25Å; L1763-M1797 HydrophobicContact CD2-CG 3.61Å; L1763-M1797 HydrophobicContact CD2-SD 4.47Å; V1767-M1797 HydrophobicContact CG1-CE 3.99Å; V1767-M1797 HydrophobicContact CG2-CB 4.4Å; V1767-M1797 HydrophobicContact CG2-CE 4.23Å; A1793-M1797 WeakPolarHBondContact O-CB 3.49Å; A1793-M1797 PolarHBondContact O-N 3.42Å; Q1794-M1797 WeakPolarHBondContact O-CB 3.44Å; Q1794-M1797 PolarHBondContact O-N 3.24Å; M1797-A1799 VanDerWaalsContact C-N 3.29Å; M1797-A1799 PolarHBondContact O-N 3.03Å; M1797-C1800 PolarHBondContact O-N 2.9Å; M1797-C1800 PolarHBondContact O-SG 2.83Å |
| 1798 | D | 89.2 | Confident | 84.3 | Confident | 11 Ų | 11 | 47.6 Ų | 47.6 | 6% | 0.059 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.5 | -29.9 | 179.5 | -67.6 | -28.9 | 0 | 0 | 0 | 112 | Q1794 A1795 Q1805 L1822 | Q1794-D1798 PolarHBondContact NE2-OD1 3.27Å; Q1794-D1798 PolarHBondContact NE2-OD2 2.85Å; Q1794-D1798 WeakPolarHBondContact O-CB 3.15Å; Q1794-D1798 VanDerWaalsContact O-CG 3.26Å; Q1794-D1798 PolarHBondContact O-N 2.89Å; A1795-D1798 PolarHBondContact O-N 2.7Å; D1798-Q1805 PolarHBondContact OD1-NE2 3.2Å; D1798-L1822 HydrophobicContact CB-CD1 4.16Å; D1798-L1822 HydrophobicContact CB-CD2 3.77Å |
| 1799 | A | 89.4 | Confident | 83.3 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.008 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -74.8 | -24.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115 | A1795 F1796 M1797 L1822 Y1825 R1826 F1829 | A1795-A1799 VanDerWaalsContact O-CB 3.28Å; A1795-A1799 WeakPolarHBondContact O-CB 3.27Å; A1795-A1799 PolarHBondContact O-N 3.01Å; F1796-A1799 PolarHBondContact O-N 2.72Å; M1797-A1799 VanDerWaalsContact C-N 3.29Å; M1797-A1799 PolarHBondContact O-N 3.03Å; A1799-L1822 HydrophobicContact CB-CD2 4.19Å; A1799-Y1825 VanDerWaalsContact CB-CB 3.48Å; A1799-Y1825 HydrophobicContact CB-CD2 4.35Å; A1799-Y1825 HydrophobicContact CB-CG 4.41Å; A1799-R1826 WeakPolarHBondContact O-CG 3.46Å; A1799-F1829 HydrophobicContact CB-CD2 4.04Å; A1799-F1829 HydrophobicContact CB-CE2 3.79Å; A1799-F1829 WeakPolarHBondContact O-CD2 3.5Å |
| 1800 | C | 88.2 | Confident | 82.3 | Confident | 9 Ų | 9 | 62.6 Ų | 62.6 | 6% | 0.061 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -85.5 | -11.7 | 175.9 | 76.8 | 0 | 0 | 0 | 0 | 113.3 | N1758 P1762 F1796 M1797 F1829 | N1758-C1800 PolarHBondContact ND2-O 3.45Å; P1762-C1800 HydrophobicContact CB-CB 4.28Å; F1796-C1800 PolarHBondContact O-N 2.87Å; M1797-C1800 PolarHBondContact O-N 2.9Å; M1797-C1800 PolarHBondContact O-SG 2.83Å; C1800-F1829 HydrophobicContact CB-CD1 3.87Å; C1800-F1829 HydrophobicContact CB-CD2 4.33Å; C1800-F1829 HydrophobicContact CB-CE1 3.57Å; C1800-F1829 HydrophobicContact CB-CE2 4.06Å; C1800-F1829 HydrophobicContact CB-CG 4.24Å; C1800-F1829 HydrophobicContact CB-CZ 3.66Å |
| 1801 | S | 81.6 | Confident | 81.3 | Confident | 36 Ų | 36 | 61.3 Ų | 61.3 | 25% | 0.252 | 32% | 0.324 | S | S | . | . | trans | -76.2 | 130.3 | 176.6 | 172.5 | 0 | 0 | 0 | 0 | 111 | C1803 R1826 | S1801-C1803 PolarHBondContact O-N 2.8Å; S1801-C1803 PolarHBondContact OG-N 2.9Å; S1801-R1826 PolarHBondContact O-NE 2.82Å | ||
| 1802 | P | 70.9 | Confident | 80.4 | Confident | 103 Ų | 103 | 64 Ų | 64 | 67% | 0.669 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -70.1 | -17.6 | 176 | 27.7 | -32.8 | 0 | 0 | 0 | 113.4 | ||
| 1803 | C | 72.5 | Confident | 79.5 | Confident | 86 Ų | 86 | 65.3 Ų | 65.3 | 58% | 0.581 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -87.2 | 133.2 | -179.7 | -62 | 0 | 0 | 0 | 0 | 112.5 | S1801 R1826 | S1801-C1803 PolarHBondContact O-N 2.8Å; S1801-C1803 PolarHBondContact OG-N 2.9Å; C1803-R1826 PolarHBondContact O-NH2 2.83Å |
| 1804 | D | 69.1 | Low | 78.7 | Confident | 131 Ų | 131 | 67.1 Ų | 67.1 | 70% | 0.701 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 130.7 | 162 | -85.9 | -36.1 | 0 | 0 | 0 | 110.3 | R1826 | D1804-R1826 IonicContact OD1-CZ 2.75Å; D1804-R1826 IonicContact OD1-NH1 3.77Å; D1804-R1826 PolarHBondContact OD1-NH1 3.39Å; D1804-R1826 IonicContact OD1-NH2 3.54Å |
| 1805 | Q | 66.8 | Low | 78.1 | Confident | 68 Ų | 68 | 67.2 Ų | 67.2 | 32% | 0.318 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -84.7 | 131.7 | 176.2 | -72.8 | -168 | 0.4 | 0 | 0 | 109.5 | D1798 L1807 | D1798-Q1805 PolarHBondContact OD1-NE2 3.2Å; Q1805-L1807 PolarHBondContact O-N 3.42Å |
| 1806 | Q | 69.5 | Low | 77.6 | Confident | 189 Ų | 189 | 70.9 Ų | 70.9 | 88% | 0.883 | 38% | 0.378 | S | S | * | . | trans | -75.8 | 115.9 | 170.4 | -69.3 | -172.6 | -15.9 | 0 | 0 | 109.6 | ||||
| 1807 | L | 74.6 | Confident | 77.3 | Confident | 83 Ų | 83 | 71 Ų | 71 | 44% | 0.435 | 38% | 0.379 | S | S | . | . | trans | -85.3 | 126.5 | 171.7 | -66.6 | 159.7 | 0 | 0 | 0 | 108.9 | Q1805 K1815 L1816 A1819 | Q1805-L1807 PolarHBondContact O-N 3.42Å; L1807-K1815 HydrophobicContact CD2-CB 4.31Å; L1807-L1816 HydrophobicContact CB-CD2 4.45Å; L1807-L1816 HydrophobicContact CD1-CD2 4.24Å; L1807-L1816 HydrophobicContact CD2-CD2 3.97Å; L1807-L1816 HydrophobicContact CG-CD2 4.45Å; L1807-A1819 HydrophobicContact CD1-CB 3.54Å | ||
| 1808 | N | 75.7 | Confident | 77.2 | Confident | 96 Ų | 96 | 68.1 Ų | 68.1 | 51% | 0.513 | 36% | 0.364 | S | S | . | . | trans | -120.1 | 170.5 | 175.9 | 55.5 | 4.9 | 0 | 0 | 0 | 110.1 | D1810 S1811 | N1808-D1810 PolarHBondContact O-N 2.76Å; N1808-S1811 PolarHBondContact N-OG 2.86Å; N1808-S1811 WeakPolarHBondContact O-CB 3.11Å; N1808-S1811 PolarHBondContact O-N 2.81Å; N1808-S1811 PolarHBondContact O-OG 2.74Å; N1808-S1811 PolarHBondContact OD1-N 2.88Å; N1808-S1811 VanDerWaalsContact OD1-N 3.11Å; N1808-S1811 PolarHBondContact OD1-OG 3.39Å | ||
| 1809 | K | 71.4 | Confident | 77.1 | Confident | 196 Ų | 196 | 68.9 Ų | 68.9 | 85% | 0.852 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -24.6 | -179.2 | 91.5 | 175.5 | -170.9 | 174.5 | 0 | 113 | S1811 | K1809-S1811 VanDerWaalsContact C-N 3.34Š|
| 1810 | D | 73.4 | Confident | 77 | Confident | 119 Ų | 119 | 79.8 Ų | 79.8 | 64% | 0.636 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 4.5 | -178.3 | -50.5 | -49.2 | 0 | 0 | 0 | 112.1 | N1808 | N1808-D1810 PolarHBondContact O-N 2.76Š|
| 1811 | S | 72.3 | Confident | 77.1 | Confident | 15 Ų | 15 | 80.5 Ų | 80.5 | 11% | 0.105 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -69.3 | 128 | 174.5 | -71.8 | 0 | 0 | 0 | 0 | 109.8 | N1808 K1809 | N1808-S1811 PolarHBondContact N-OG 2.86Å; N1808-S1811 WeakPolarHBondContact O-CB 3.11Å; N1808-S1811 PolarHBondContact O-N 2.81Å; N1808-S1811 PolarHBondContact O-OG 2.74Å; N1808-S1811 PolarHBondContact OD1-N 2.88Å; N1808-S1811 VanDerWaalsContact OD1-N 3.11Å; N1808-S1811 PolarHBondContact OD1-OG 3.39Å; K1809-S1811 VanDerWaalsContact C-N 3.34Å |
| 1812 | P | 73.3 | Confident | 77.5 | Confident | 66 Ų | 66 | 79.5 Ų | 79.5 | 43% | 0.429 | 41% | 0.408 | S | S | . | . | trans | -61.6 | 145.2 | -178.1 | 24.8 | -33.5 | 0 | 0 | 0 | 111 | N1814 K1815 L1816 | P1812-N1814 PolarHBondContact O-N 3.21Å; P1812-K1815 HydrophobicContact CG-CB 4.4Å; P1812-K1815 HydrophobicContact CG-CD 4.26Å; P1812-K1815 HydrophobicContact CG-CG 4.1Å; P1812-K1815 WeakPolarHBondContact O-CB 3.45Å; P1812-K1815 PolarHBondContact O-N 3.02Å; P1812-L1816 PolarHBondContact O-N 3.44Å | ||
| 1813 | S | 73.5 | Confident | 78.3 | Confident | 26 Ų | 26 | 78 Ų | 78 | 18% | 0.182 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -53.1 | -33.2 | -177.7 | -50.6 | 0 | 0 | 0 | 0 | 112.6 | E1512 K1815 L1816 L1817 | E1512-S1813 WeakPolarHBondContact OE2-CB 3.49Å; E1512-S1813 PolarHBondContact OE2-OG 2.87Å; S1813-K1815 VanDerWaalsContact C-N 3.25Å; S1813-K1815 PolarHBondContact O-N 3.04Å; S1813-L1816 PolarHBondContact O-N 2.79Å; S1813-L1816 VanDerWaalsContact O-N 3.12Å; S1813-L1817 PolarHBondContact O-N 3.11Å |
| 1814 | N | 76.9 | Confident | 79.2 | Confident | 40 Ų | 40 | 79.7 Ų | 79.7 | 21% | 0.214 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -57.7 | -33.8 | 176.3 | -51.1 | -7 | 0 | 0 | 0 | 112.9 | E1512 V1791 P1812 | E1512-N1814 PolarHBondContact N-OD1 2.02Å; V1791-N1814 HydrophobicContact CG1-CB 4.26Å; V1791-N1814 HydrophobicContact CG2-CB 4.23Å; P1812-N1814 PolarHBondContact O-N 3.21Å |
| 1815 | K | 77.2 | Confident | 80.3 | Confident | 66 Ų | 66 | 73.4 Ų | 73.4 | 29% | 0.287 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -78.9 | -37.2 | 175.2 | -80 | -168.1 | 173.6 | -156.5 | 0 | 112.4 | L1807 P1812 S1813 L1817 A1819 | L1807-K1815 HydrophobicContact CD2-CB 4.31Å; P1812-K1815 HydrophobicContact CG-CB 4.4Å; P1812-K1815 HydrophobicContact CG-CD 4.26Å; P1812-K1815 HydrophobicContact CG-CG 4.1Å; P1812-K1815 WeakPolarHBondContact O-CB 3.45Å; P1812-K1815 PolarHBondContact O-N 3.02Å; S1813-K1815 VanDerWaalsContact C-N 3.25Å; S1813-K1815 PolarHBondContact O-N 3.04Å; K1815-L1817 PolarHBondContact O-N 2.96Å; K1815-A1819 PolarHBondContact O-N 2.86Å |
| 1816 | L | 81.7 | Confident | 81.4 | Confident | 83 Ų | 83 | 71.7 Ų | 71.7 | 44% | 0.435 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64 | -32.3 | 175.7 | -69 | 168 | 0 | 0 | 0 | 111.3 | L1807 P1812 S1813 F1818 A1819 | L1807-L1816 HydrophobicContact CB-CD2 4.45Å; L1807-L1816 HydrophobicContact CD1-CD2 4.24Å; L1807-L1816 HydrophobicContact CD2-CD2 3.97Å; L1807-L1816 HydrophobicContact CG-CD2 4.45Å; P1812-L1816 PolarHBondContact O-N 3.44Å; S1813-L1816 PolarHBondContact O-N 2.79Å; S1813-L1816 VanDerWaalsContact O-N 3.12Å; L1816-F1818 PolarHBondContact O-N 3.33Å; L1816-A1819 PolarHBondContact O-N 3.4Å |
| 1817 | L | 86.4 | Confident | 82.4 | Confident | 3 Ų | 3 | 66.7 Ų | 66.7 | 2% | 0.016 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -54.5 | -48.4 | -177 | -146.7 | 75.2 | 0 | 0 | 0 | 112.9 | L1510 L1699 L1700 K1703 S1813 K1815 | L1510-L1817 HydrophobicContact CB-CD2 4.26Å; L1510-L1817 HydrophobicContact CD2-CD2 3.86Å; L1699-L1817 HydrophobicContact CB-CD1 3.58Å; L1700-L1817 HydrophobicContact CD2-CD1 4.36Å; K1703-L1817 HydrophobicContact CB-CD2 4.09Å; K1703-L1817 HydrophobicContact CB-CG 4.16Å; K1703-L1817 HydrophobicContact CD-CG 3.97Å; K1703-L1817 VanDerWaalsContact CD-O 3.22Å; K1703-L1817 WeakPolarHBondContact CD-O 3.31Å; K1703-L1817 WeakPolarHBondContact CE-O 3.44Å; K1703-L1817 HydrophobicContact CG-CD2 4.49Å; K1703-L1817 HydrophobicContact CG-CG 4.41Å; K1703-L1817 PolarHBondContact NZ-O 3.01Å; S1813-L1817 PolarHBondContact O-N 3.11Å; K1815-L1817 PolarHBondContact O-N 2.96Å |
| 1818 | F | 88.7 | Confident | 83.2 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.018 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -104.4 | 4.1 | -177.6 | -70 | -75.9 | 0 | 0 | 0 | 114.5 | K1703 V1710 V1791 A1795 L1816 R1820 D1821 L1822 Y1825 | K1703-F1818 HydrophobicContact CD-CD1 4.44Å; K1703-F1818 HydrophobicContact CD-CE1 4.26Å; K1703-F1818 HydrophobicContact CG-CE1 4.05Å; K1703-F1818 HydrophobicContact CG-CZ 4.19Å; V1710-F1818 HydrophobicContact CG1-CE1 4.18Å; V1710-F1818 HydrophobicContact CG2-CZ 4.42Å; V1791-F1818 HydrophobicContact CG1-CD2 4.17Å; V1791-F1818 HydrophobicContact CG1-CE2 3.88Å; A1795-F1818 HydrophobicContact CB-CB 4Å; A1795-F1818 HydrophobicContact CB-CD2 3.92Å; A1795-F1818 HydrophobicContact CB-CG 3.94Å; L1816-F1818 PolarHBondContact O-N 3.33Å; F1818-R1820 PolarHBondContact O-N 2.8Å; F1818-R1820 VanDerWaalsContact O-N 3.12Å; F1818-D1821 PolarHBondContact O-N 2.81Å; F1818-L1822 PolarHBondContact O-N 3.37Å; F1818-Y1825 HydrophobicContact CD1-CE2 4.49Å |
| 1819 | A | 85.8 | Confident | 84 | Confident | 27 Ų | 27 | 60.5 Ų | 60.5 | 22% | 0.223 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -39.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114 | L1807 K1815 L1816 D1821 | L1807-A1819 HydrophobicContact CD1-CB 3.54Å; K1815-A1819 PolarHBondContact O-N 2.86Å; L1816-A1819 PolarHBondContact O-N 3.4Å; A1819-D1821 VanDerWaalsContact C-N 3.33Å; A1819-D1821 PolarHBondContact O-N 2.65Å |
| 1820 | R | 87.8 | Confident | 84.8 | Confident | 229 Ų | 229 | 54.7 Ų | 54.7 | 86% | 0.864 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -23.2 | -179.9 | -169.9 | 176.2 | 173.7 | -174.9 | -2.6 | 113.4 | F1818 | F1818-R1820 PolarHBondContact O-N 2.8Å; F1818-R1820 VanDerWaalsContact O-N 3.12Å |
| 1821 | D | 89.8 | Confident | 85.7 | Confident | 25 Ų | 25 | 56 Ų | 56 | 13% | 0.134 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -22.3 | -175.9 | -45.4 | -62.9 | 0 | 0 | 0 | 112.4 | K1703 F1818 A1819 P1823 R1824 Y1825 | K1703-D1821 VanDerWaalsContact CE-OD2 3.23Å; K1703-D1821 WeakPolarHBondContact CE-OD2 3.28Å; K1703-D1821 IonicContact NZ-OD1 3.07Å; K1703-D1821 IonicContact NZ-OD2 3.22Å; K1703-D1821 PolarHBondContact NZ-OD2 2.85Å; F1818-D1821 PolarHBondContact O-N 2.81Å; A1819-D1821 VanDerWaalsContact C-N 3.33Å; A1819-D1821 PolarHBondContact O-N 2.65Å; D1821-P1823 VanDerWaalsContact C-CD 3.45Å; D1821-R1824 WeakPolarHBondContact O-CB 3.28Å; D1821-R1824 PolarHBondContact O-N 3.48Å; D1821-Y1825 HydrophobicContact CB-CD2 4.28Å; D1821-Y1825 HydrophobicContact CB-CE1 4.42Å; D1821-Y1825 HydrophobicContact CB-CE2 3.67Å; D1821-Y1825 PolarHBondContact O-N 2.91Å; D1821-Y1825 VanDerWaalsContact O-N 3.08Å |
| 1822 | L | 89.7 | Confident | 86.7 | Confident | 15 Ų | 15 | 55.4 Ų | 55.4 | 8% | 0.079 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -50.3 | -42.5 | 179.7 | -71.2 | 176.9 | 0 | 0 | 0 | 114.1 | D1798 A1799 F1818 R1824 Y1825 R1826 | D1798-L1822 HydrophobicContact CB-CD1 4.16Å; D1798-L1822 HydrophobicContact CB-CD2 3.77Å; A1799-L1822 HydrophobicContact CB-CD2 4.19Å; F1818-L1822 PolarHBondContact O-N 3.37Å; L1822-R1824 VanDerWaalsContact C-N 3.31Å; L1822-R1824 PolarHBondContact O-N 2.75Å; L1822-Y1825 PolarHBondContact O-N 3.19Å; L1822-R1826 WeakPolarHBondContact O-CG 3.25Å; L1822-R1826 PolarHBondContact O-N 2.75Å |
| 1823 | P | 88.5 | Confident | 87.6 | Confident | 70 Ų | 70 | 53.2 Ų | 53.2 | 46% | 0.455 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.9 | -38.2 | 176.6 | -24.1 | 35.1 | 0 | 0 | 0 | 113.3 | D1821 T1827 | D1821-P1823 VanDerWaalsContact C-CD 3.45Å; P1823-T1827 PolarHBondContact O-N 3.37Å; P1823-T1827 PolarHBondContact O-OG1 2.85Å |
| 1824 | R | 91 | Very high | 88.4 | Confident | 122 Ų | 122 | 54.3 Ų | 54.3 | 46% | 0.46 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.7 | -46 | 176.6 | -173.7 | 178.7 | 66.3 | 173.1 | -3.8 | 110.4 | D1711 D1821 L1822 R1826 T1827 I1828 | D1711-R1824 IonicContact OD1-CZ 2.78Å; D1711-R1824 IonicContact OD1-NH2 2.65Å; D1711-R1824 PolarHBondContact OD1-NH2 2.86Å; D1711-R1824 IonicContact OD2-CZ 3.97Å; D1711-R1824 IonicContact OD2-NH1 2.89Å; D1711-R1824 IonicContact OD2-NH2 3.15Å; D1711-R1824 PolarHBondContact OD2-NH2 3.13Å; D1821-R1824 WeakPolarHBondContact O-CB 3.28Å; D1821-R1824 PolarHBondContact O-N 3.48Å; L1822-R1824 VanDerWaalsContact C-N 3.31Å; L1822-R1824 PolarHBondContact O-N 2.75Å; R1824-R1826 PolarHBondContact O-N 3.48Å; R1824-T1827 WeakPolarHBondContact O-CB 3.02Å; R1824-T1827 PolarHBondContact O-N 3.43Å; R1824-T1827 VanDerWaalsContact O-N 3.14Å; R1824-I1828 PolarHBondContact O-N 2.87Å |
| 1825 | Y | 92.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64 | -39.1 | 177.9 | -57.3 | -31 | 0 | 0 | 0 | 112.7 | Q1707 D1711 I1714 A1799 F1818 D1821 L1822 T1827 I1828 F1829 | Q1707-Y1825 PolarHBondContact NE2-OH 3.1Å; D1711-Y1825 VanDerWaalsContact OD1-CE1 3.26Å; D1711-Y1825 WeakPolarHBondContact OD1-CE1 3.13Å; D1711-Y1825 PolarHBondContact OD1-OH 3.37Å; I1714-Y1825 HydrophobicContact CD1-CD1 3.78Å; I1714-Y1825 HydrophobicContact CD1-CD2 3.8Å; I1714-Y1825 HydrophobicContact CD1-CE1 3.65Å; I1714-Y1825 HydrophobicContact CD1-CE2 3.66Å; I1714-Y1825 HydrophobicContact CD1-CG 3.87Å; I1714-Y1825 HydrophobicContact CG2-CD1 4.16Å; A1799-Y1825 VanDerWaalsContact CB-CB 3.48Å; A1799-Y1825 HydrophobicContact CB-CD2 4.35Å; A1799-Y1825 HydrophobicContact CB-CG 4.41Å; F1818-Y1825 HydrophobicContact CD1-CE2 4.49Å; D1821-Y1825 HydrophobicContact CB-CD2 4.28Å; D1821-Y1825 HydrophobicContact CB-CE1 4.42Å; D1821-Y1825 HydrophobicContact CB-CE2 3.67Å; D1821-Y1825 PolarHBondContact O-N 2.91Å; D1821-Y1825 VanDerWaalsContact O-N 3.08Å; L1822-Y1825 PolarHBondContact O-N 3.19Å; Y1825-T1827 PolarHBondContact O-N 3.12Å; Y1825-I1828 HydrophobicContact CD1-CD1 4.41Å; Y1825-I1828 WeakPolarHBondContact O-CB 3.24Å; Y1825-I1828 PolarHBondContact O-N 2.96Å; Y1825-I1828 VanDerWaalsContact O-N 3.07Å; Y1825-F1829 WeakPolarHBondContact O-CD2 3.46Å; Y1825-F1829 PolarHBondContact O-N 3.42Å |
| 1826 | R | 90.8 | Very high | 89.7 | Confident | 32 Ų | 32 | 52.7 Ų | 52.7 | 12% | 0.121 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.6 | -34.3 | 172.8 | -77.7 | 179.4 | -170.2 | 128.7 | -3.5 | 112.8 | A1799 S1801 C1803 D1804 L1822 R1824 F1829 S1830 | A1799-R1826 WeakPolarHBondContact O-CG 3.46Å; S1801-R1826 PolarHBondContact O-NE 2.82Å; C1803-R1826 PolarHBondContact O-NH2 2.83Å; D1804-R1826 IonicContact OD1-CZ 2.75Å; D1804-R1826 IonicContact OD1-NH1 3.77Å; D1804-R1826 PolarHBondContact OD1-NH1 3.39Å; D1804-R1826 IonicContact OD1-NH2 3.54Å; L1822-R1826 WeakPolarHBondContact O-CG 3.25Å; L1822-R1826 PolarHBondContact O-N 2.75Å; R1824-R1826 PolarHBondContact O-N 3.48Å; R1826-F1829 PolarHBondContact O-N 3.15Å; R1826-S1830 WeakPolarHBondContact O-CB 3.49Å; R1826-S1830 PolarHBondContact O-N 3.07Å; R1826-S1830 PolarHBondContact O-OG 3.46Å |
| 1827 | T | 89.9 | Confident | 90.2 | Very high | 83 Ų | 83 | 56.2 Ų | 56.2 | 51% | 0.509 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.6 | -38.3 | 175.9 | -53.2 | 0 | 0 | 0 | 0 | 111.3 | P1823 R1824 Y1825 S1830 R1831 | P1823-T1827 PolarHBondContact O-N 3.37Å; P1823-T1827 PolarHBondContact O-OG1 2.85Å; R1824-T1827 WeakPolarHBondContact O-CB 3.02Å; R1824-T1827 PolarHBondContact O-N 3.43Å; R1824-T1827 VanDerWaalsContact O-N 3.14Å; Y1825-T1827 PolarHBondContact O-N 3.12Å; T1827-S1830 PolarHBondContact O-N 2.76Å; T1827-R1831 PolarHBondContact O-N 2.92Å |
| 1828 | I | 91.7 | Very high | 90.4 | Very high | 44 Ų | 44 | 65.9 Ų | 65.9 | 23% | 0.226 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 174.5 | -59.5 | 172.8 | 0 | 0 | 0 | 110.6 | I1714 L1718 R1824 Y1825 S1830 R1831 F1832 | I1714-I1828 HydrophobicContact CG2-CD1 4.23Å; L1718-I1828 HydrophobicContact CB-CG2 4.1Å; L1718-I1828 HydrophobicContact CD1-CG2 3.96Å; R1824-I1828 PolarHBondContact O-N 2.87Å; Y1825-I1828 HydrophobicContact CD1-CD1 4.41Å; Y1825-I1828 WeakPolarHBondContact O-CB 3.24Å; Y1825-I1828 PolarHBondContact O-N 2.96Å; Y1825-I1828 VanDerWaalsContact O-N 3.07Å; I1828-S1830 VanDerWaalsContact C-N 3.34Å; I1828-S1830 PolarHBondContact O-N 2.94Å; I1828-R1831 PolarHBondContact O-N 3.36Å; I1828-F1832 WeakPolarHBondContact O-CB 3.29Å; I1828-F1832 PolarHBondContact O-N 2.75Å |
| 1829 | F | 92 | Very high | 90.4 | Very high | 5 Ų | 5 | 66.9 Ų | 66.9 | 2% | 0.022 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.8 | -42.5 | 174.5 | -88.3 | -80.5 | 0 | 0 | 0 | 112.8 | L1718 P1762 F1796 A1799 C1800 Y1825 R1826 R1831 F1832 Y1833 | L1718-F1829 HydrophobicContact CD1-CD1 3.82Å; L1718-F1829 HydrophobicContact CD1-CD2 3.68Å; L1718-F1829 HydrophobicContact CD1-CE1 3.71Å; L1718-F1829 HydrophobicContact CD1-CE2 3.58Å; L1718-F1829 HydrophobicContact CD1-CG 3.8Å; L1718-F1829 HydrophobicContact CD1-CZ 3.6Å; L1718-F1829 HydrophobicContact CD2-CD1 4.13Å; L1718-F1829 HydrophobicContact CD2-CE1 3.7Å; L1718-F1829 HydrophobicContact CD2-CZ 4.15Å; L1718-F1829 HydrophobicContact CG-CE1 4.36Å; L1718-F1829 HydrophobicContact CG-CZ 4.45Å; P1762-F1829 HydrophobicContact CB-CE1 3.91Å; P1762-F1829 HydrophobicContact CB-CZ 4.42Å; P1762-F1829 HydrophobicContact CG-CE1 3.79Å; F1796-F1829 HydrophobicContact CD1-CZ 4.05Å; F1796-F1829 HydrophobicContact CD2-CZ 4.27Å; F1796-F1829 HydrophobicContact CE1-CE1 4.29Å; F1796-F1829 AromaticContact CE1-CZ 3.64Å; F1796-F1829 HydrophobicContact CE1-CZ 3.64Å; F1796-F1829 HydrophobicContact CE2-CE2 4.41Å; F1796-F1829 AromaticContact CE2-CZ 3.87Å; F1796-F1829 HydrophobicContact CE2-CZ 3.87Å; F1796-F1829 HydrophobicContact CG-CZ 4.36Å; F1796-F1829 HydrophobicContact CZ-CE1 4.18Å; F1796-F1829 HydrophobicContact CZ-CE2 4.48Å; F1796-F1829 AromaticContact CZ-CZ 3.54Å; F1796-F1829 HydrophobicContact CZ-CZ 3.54Å; A1799-F1829 HydrophobicContact CB-CD2 4.04Å; A1799-F1829 HydrophobicContact CB-CE2 3.79Å; A1799-F1829 WeakPolarHBondContact O-CD2 3.5Å; C1800-F1829 HydrophobicContact CB-CD1 3.87Å; C1800-F1829 HydrophobicContact CB-CD2 4.33Å; C1800-F1829 HydrophobicContact CB-CE1 3.57Å; C1800-F1829 HydrophobicContact CB-CE2 4.06Å; C1800-F1829 HydrophobicContact CB-CG 4.24Å; C1800-F1829 HydrophobicContact CB-CZ 3.66Å; Y1825-F1829 WeakPolarHBondContact O-CD2 3.46Å; Y1825-F1829 PolarHBondContact O-N 3.42Å; R1826-F1829 PolarHBondContact O-N 3.15Å; F1829-R1831 VanDerWaalsContact C-N 3.32Å; F1829-R1831 PolarHBondContact O-N 3.22Å; F1829-F1832 WeakPolarHBondContact O-CB 3.16Å; F1829-F1832 PolarHBondContact O-N 3.37Å; F1829-Y1833 HydrophobicContact CD1-CE2 4.3Å; F1829-Y1833 WeakPolarHBondContact O-CD2 3.35Å; F1829-Y1833 PolarHBondContact O-N 3Å |
| 1830 | S | 89 | Confident | 90.5 | Very high | 74 Ų | 74 | 69.8 Ų | 69.8 | 52% | 0.517 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 177.9 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | R1826 T1827 I1828 S1834 | R1826-S1830 WeakPolarHBondContact O-CB 3.49Å; R1826-S1830 PolarHBondContact O-N 3.07Å; R1826-S1830 PolarHBondContact O-OG 3.46Å; T1827-S1830 PolarHBondContact O-N 2.76Å; I1828-S1830 VanDerWaalsContact C-N 3.34Å; I1828-S1830 PolarHBondContact O-N 2.94Å; S1830-S1834 PolarHBondContact O-N 3.07Å; S1830-S1834 VanDerWaalsContact O-N 3.16Å |
| 1831 | R | 91.1 | Very high | 90.5 | Very high | 146 Ų | 146 | 65.8 Ų | 65.8 | 55% | 0.551 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63.5 | -48.5 | 173.4 | -174.9 | -179 | -63.7 | 168.3 | -0.4 | 111.3 | T1827 I1828 F1829 Y1833 S1834 E1835 | T1827-R1831 PolarHBondContact O-N 2.92Å; I1828-R1831 PolarHBondContact O-N 3.36Å; F1829-R1831 VanDerWaalsContact C-N 3.32Å; F1829-R1831 PolarHBondContact O-N 3.22Å; R1831-Y1833 PolarHBondContact O-N 3.27Å; R1831-S1834 CarbonylContact O-C 3.52Å; R1831-S1834 WeakPolarHBondContact O-CA 3.38Å; R1831-S1834 WeakPolarHBondContact O-CB 3.01Å; R1831-S1834 PolarHBondContact O-N 3.3Å; R1831-S1834 PolarHBondContact O-OG 3.22Å; R1831-E1835 HydrophobicContact CG-CG 4.1Å; R1831-E1835 WeakPolarHBondContact O-CG 3.33Å; R1831-E1835 PolarHBondContact O-N 3.35Å |
| 1832 | F | 92.8 | Very high | 90.5 | Very high | 3 Ų | 3 | 65.7 Ų | 65.7 | 1% | 0.013 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -51.5 | -51.8 | 177.6 | 168.9 | -107.2 | 0 | 0 | 0 | 111.8 | L1718 V1720 F1726 F1734 L1761 I1828 F1829 S1834 E1835 V1836 | L1718-F1832 HydrophobicContact CB-CB 4.2Å; L1718-F1832 HydrophobicContact CB-CD2 4.26Å; L1718-F1832 HydrophobicContact CB-CG 4.25Å; L1718-F1832 HydrophobicContact CD2-CD1 4.23Å; L1718-F1832 HydrophobicContact CD2-CE1 4.48Å; L1718-F1832 HydrophobicContact CD2-CG 4.29Å; L1718-F1832 VanDerWaalsContact O-CD2 3.22Å; L1718-F1832 WeakPolarHBondContact O-CD2 3.25Å; V1720-F1832 HydrophobicContact CG2-CD2 3.58Å; V1720-F1832 HydrophobicContact CG2-CE2 4.01Å; F1726-F1832 AromaticContact CE2-CE2 3.71Å; F1726-F1832 HydrophobicContact CE2-CE2 3.71Å; F1726-F1832 HydrophobicContact CE2-CZ 4.3Å; F1726-F1832 AromaticContact CZ-CE2 3.8Å; F1726-F1832 HydrophobicContact CZ-CE2 3.8Å; F1726-F1832 AromaticContact CZ-CZ 3.99Å; F1726-F1832 HydrophobicContact CZ-CZ 3.99Å; F1734-F1832 AromaticContact CE2-CE1 3.93Å; F1734-F1832 HydrophobicContact CE2-CE1 3.93Å; F1734-F1832 HydrophobicContact CE2-CZ 4.23Å; F1734-F1832 HydrophobicContact CZ-CE1 4.34Å; L1761-F1832 HydrophobicContact CD2-CE1 4.22Å; L1761-F1832 HydrophobicContact CD2-CZ 3.85Å; I1828-F1832 WeakPolarHBondContact O-CB 3.29Å; I1828-F1832 PolarHBondContact O-N 2.75Å; F1829-F1832 WeakPolarHBondContact O-CB 3.16Å; F1829-F1832 PolarHBondContact O-N 3.37Å; F1832-S1834 VanDerWaalsContact C-N 3.31Å; F1832-S1834 PolarHBondContact O-N 2.89Å; F1832-E1835 PolarHBondContact O-N 3.44Å; F1832-V1836 HydrophobicContact CD2-CG2 3.98Å; F1832-V1836 HydrophobicContact CE1-CG2 4.45Å; F1832-V1836 HydrophobicContact CE2-CG2 3.61Å; F1832-V1836 HydrophobicContact CZ-CG2 3.88Å; F1832-V1836 WeakPolarHBondContact O-CG2 3.21Å; F1832-V1836 PolarHBondContact O-N 3.36Å |
| 1833 | Y | 92.2 | Very high | 90.4 | Very high | 21 Ų | 21 | 67.4 Ų | 67.4 | 8% | 0.082 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.3 | -36.4 | 177.9 | -69.4 | -52.4 | 0 | 0 | 0 | 113.3 | F1734 K1757 N1758 P1762 F1829 R1831 R1837 | F1734-Y1833 AromaticContact CE2-CD1 3.89Å; F1734-Y1833 HydrophobicContact CE2-CD1 3.89Å; F1734-Y1833 AromaticContact CE2-CE1 3.69Å; F1734-Y1833 HydrophobicContact CE2-CE1 3.69Å; F1734-Y1833 HydrophobicContact CZ-CE1 4.02Å; K1757-Y1833 HydrophobicContact CB-CE1 3.94Å; N1758-Y1833 VanDerWaalsContact OD1-CE2 3.3Å; N1758-Y1833 WeakPolarHBondContact OD1-CE2 3.29Å; N1758-Y1833 VanDerWaalsContact OD1-CZ 3.23Å; N1758-Y1833 PolarHBondContact OD1-OH 2.98Å; P1762-Y1833 WeakPolarHBondContact CG-OH 3.35Å; F1829-Y1833 HydrophobicContact CD1-CE2 4.3Å; F1829-Y1833 WeakPolarHBondContact O-CD2 3.35Å; F1829-Y1833 PolarHBondContact O-N 3Å; R1831-Y1833 PolarHBondContact O-N 3.27Å; Y1833-R1837 WeakPolarHBondContact O-CB 3.42Å; Y1833-R1837 PolarHBondContact O-N 3.25Å; Y1833-R1837 VanDerWaalsContact O-N 3.13Å |
| 1834 | S | 90.3 | Very high | 90.4 | Very high | 48 Ų | 48 | 69 Ų | 69 | 34% | 0.336 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.5 | -37.1 | 176.8 | 79.4 | 0 | 0 | 0 | 0 | 112.9 | S1830 R1831 F1832 R1838 | S1830-S1834 PolarHBondContact O-N 3.07Å; S1830-S1834 VanDerWaalsContact O-N 3.16Å; R1831-S1834 CarbonylContact O-C 3.52Å; R1831-S1834 WeakPolarHBondContact O-CA 3.38Å; R1831-S1834 WeakPolarHBondContact O-CB 3.01Å; R1831-S1834 PolarHBondContact O-N 3.3Å; R1831-S1834 PolarHBondContact O-OG 3.22Å; F1832-S1834 VanDerWaalsContact C-N 3.31Å; F1832-S1834 PolarHBondContact O-N 2.89Å; S1834-R1838 WeakPolarHBondContact O-CG 3.39Å; S1834-R1838 PolarHBondContact O-N 3.35Å |
| 1835 | E | 91.6 | Very high | 90.3 | Very high | 71 Ų | 71 | 71.1 Ų | 71.1 | 33% | 0.332 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -75.4 | -43.2 | -180 | -74.7 | -178.4 | 165.8 | 0 | 0 | 111.3 | V1720 R1831 F1832 R1837 R1838 L1839 | V1720-E1835 HydrophobicContact CB-CB 3.95Å; V1720-E1835 HydrophobicContact CG1-CB 4.23Å; V1720-E1835 HydrophobicContact CG2-CB 3.67Å; R1831-E1835 HydrophobicContact CG-CG 4.1Å; R1831-E1835 WeakPolarHBondContact O-CG 3.33Å; R1831-E1835 PolarHBondContact O-N 3.35Å; F1832-E1835 PolarHBondContact O-N 3.44Å; E1835-R1837 VanDerWaalsContact C-N 3.27Å; E1835-R1837 PolarHBondContact O-N 2.78Å; E1835-R1838 PolarHBondContact O-N 3.47Å; E1835-L1839 PolarHBondContact O-N 3.33Å |
| 1836 | V | 91.5 | Very high | 90 | Very high | 2 Ų | 2 | 75.9 Ų | 75.9 | 1% | 0.012 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.6 | -40.6 | 173 | 178.6 | 0 | 0 | 0 | 0 | 110.4 | V1720 F1726 K1731 F1734 F1832 R1838 L1839 | V1720-V1836 HydrophobicContact CG1-CG2 4.25Å; V1720-V1836 HydrophobicContact CG2-CG2 3.62Å; F1726-V1836 HydrophobicContact CD1-CG2 4.5Å; F1726-V1836 HydrophobicContact CE1-CG1 3.98Å; F1726-V1836 HydrophobicContact CE1-CG2 3.75Å; F1726-V1836 HydrophobicContact CE2-CG2 4.3Å; F1726-V1836 HydrophobicContact CZ-CG2 3.63Å; K1731-V1836 HydrophobicContact CD-CG1 3.89Å; K1731-V1836 VanDerWaalsContact CD-O 3.23Å; K1731-V1836 WeakPolarHBondContact CD-O 3.37Å; K1731-V1836 WeakPolarHBondContact CE-O 3.35Å; F1734-V1836 HydrophobicContact CD2-CB 4.41Å; F1734-V1836 HydrophobicContact CD2-CG1 3.73Å; F1734-V1836 HydrophobicContact CE2-CG1 4.43Å; F1734-V1836 HydrophobicContact CG-CG1 4.5Å; F1832-V1836 HydrophobicContact CD2-CG2 3.98Å; F1832-V1836 HydrophobicContact CE1-CG2 4.45Å; F1832-V1836 HydrophobicContact CE2-CG2 3.61Å; F1832-V1836 HydrophobicContact CZ-CG2 3.88Å; F1832-V1836 WeakPolarHBondContact O-CG2 3.21Å; F1832-V1836 PolarHBondContact O-N 3.36Å; V1836-R1838 PolarHBondContact O-N 2.76Å; V1836-L1839 WeakPolarHBondContact O-CB 3.4Å; V1836-L1839 PolarHBondContact O-N 2.89Å |
| 1837 | R | 91.2 | Very high | 90 | Very high | 157 Ų | 157 | 74.7 Ų | 74.7 | 59% | 0.592 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63.4 | -27.1 | 176.1 | -171.2 | 175.4 | -177.6 | 177.2 | 2.6 | 113.4 | Y1833 E1835 | Y1833-R1837 WeakPolarHBondContact O-CB 3.42Å; Y1833-R1837 PolarHBondContact O-N 3.25Å; Y1833-R1837 VanDerWaalsContact O-N 3.13Å; E1835-R1837 VanDerWaalsContact C-N 3.27Å; E1835-R1837 PolarHBondContact O-N 2.78Å |
| 1838 | R | 90.4 | Very high | 90 | Very high | 206 Ų | 206 | 72.9 Ų | 72.9 | 78% | 0.777 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -84 | -14.2 | 178.6 | -75 | 174.6 | -179.9 | 171.1 | 1 | 113.8 | S1834 E1835 V1836 | S1834-R1838 WeakPolarHBondContact O-CG 3.39Å; S1834-R1838 PolarHBondContact O-N 3.35Å; E1835-R1838 PolarHBondContact O-N 3.47Å; V1836-R1838 PolarHBondContact O-N 2.76Å |
| 1839 | L | 89.3 | Confident | 89.8 | Confident | 24 Ų | 24 | 74.5 Ų | 74.5 | 13% | 0.126 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -63.3 | 150.7 | 174.3 | -70.8 | 178.8 | 0 | 0 | 0 | 110.8 | V1720 P1723 F1726 K1731 E1835 V1836 | V1720-L1839 HydrophobicContact CG1-CD1 3.57Å; V1720-L1839 HydrophobicContact CG1-CD2 4.17Å; V1720-L1839 HydrophobicContact CG1-CG 3.91Å; P1723-L1839 HydrophobicContact CB-CD2 3.96Å; P1723-L1839 HydrophobicContact CG-CD2 4.01Å; F1726-L1839 HydrophobicContact CB-CD1 3.93Å; F1726-L1839 HydrophobicContact CD1-CD1 3.59Å; F1726-L1839 HydrophobicContact CE1-CD1 4.44Å; F1726-L1839 HydrophobicContact CG-CD1 4Å; K1731-L1839 HydrophobicContact CD-CB 4.03Å; K1731-L1839 WeakPolarHBondContact CE-O 3.36Å; K1731-L1839 HydrophobicContact CG-CB 4.42Å; K1731-L1839 PolarHBondContact NZ-O 2.9Å; E1835-L1839 PolarHBondContact O-N 3.33Å; V1836-L1839 WeakPolarHBondContact O-CB 3.4Å; V1836-L1839 PolarHBondContact O-N 2.89Å |
| 1840 | P | 87.6 | Confident | 89.6 | Confident | 89 Ų | 89 | 77.2 Ų | 77.2 | 58% | 0.578 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 147.6 | 174.2 | -24 | 33.5 | 0 | 0 | 0 | 112.2 | K1731 V1842 | K1731-P1840 WeakPolarHBondContact CE-O 3.46Å; P1840-V1842 PolarHBondContact O-N 3.34Å |
| 1841 | L | 89 | Confident | 89.8 | Confident | 144 Ų | 144 | 73.7 Ų | 73.7 | 75% | 0.754 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -61 | 129.4 | 169.2 | -99.1 | 133.9 | 0 | 0 | 0 | 109.1 | ||
| 1842 | V | 88.3 | Confident | 89.7 | Confident | 23 Ų | 23 | 68.8 Ų | 68.8 | 14% | 0.139 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -87.9 | 119 | 177.4 | 179.9 | 0 | 0 | 0 | 0 | 108.1 | A1728 K1731 P1840 E1846 L1847 | A1728-V1842 HydrophobicContact CB-CG1 4.14Å; A1728-V1842 HydrophobicContact CB-CG2 4.15Å; K1731-V1842 HydrophobicContact CB-CG2 4Å; K1731-V1842 HydrophobicContact CG-CG2 3.77Å; P1840-V1842 PolarHBondContact O-N 3.34Å; V1842-E1846 HydrophobicContact CG1-CB 3.93Å; V1842-L1847 HydrophobicContact CG1-CB 4.31Å |
| 1843 | S | 88.5 | Confident | 89.5 | Confident | 52 Ų | 52 | 72.1 Ų | 72.1 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 156.4 | 175.5 | 62.6 | 0 | 0 | 0 | 0 | 112.1 | Q1845 E1846 L1847 | S1843-Q1845 PolarHBondContact O-N 3.11Å; S1843-Q1845 VanDerWaalsContact O-N 3.15Å; S1843-E1846 PolarHBondContact N-OE2 3.42Å; S1843-E1846 PolarHBondContact O-N 2.81Å; S1843-E1846 VanDerWaalsContact O-N 3.12Å; S1843-E1846 WeakPolarHBondContact OG-CB 3.19Å; S1843-E1846 VanDerWaalsContact OG-CD 3.32Å; S1843-E1846 VanDerWaalsContact OG-CG 3.25Å; S1843-E1846 WeakPolarHBondContact OG-CG 3.16Å; S1843-E1846 PolarHBondContact OG-N 3.3Å; S1843-E1846 PolarHBondContact OG-OE2 2.62Å; S1843-L1847 PolarHBondContact O-N 2.81Å |
| 1844 | D | 88.7 | Confident | 89.4 | Confident | 104 Ų | 104 | 71.4 Ų | 71.4 | 56% | 0.556 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -57.6 | -29.4 | 174.1 | -71.1 | -30.7 | 0 | 0 | 0 | 111.9 | Y1732 S1848 | Y1732-D1844 WeakPolarHBondContact CE2-OD1 3.42Å; Y1732-D1844 PolarHBondContact OH-OD1 3.29Å; D1844-S1848 VanDerWaalsContact O-CB 3.3Å; D1844-S1848 WeakPolarHBondContact O-CB 3.26Å; D1844-S1848 PolarHBondContact O-N 2.8Å; D1844-S1848 PolarHBondContact O-OG 3.43Å |
| 1845 | Q | 87.8 | Confident | 89.4 | Confident | 165 Ų | 165 | 69.7 Ų | 69.7 | 77% | 0.771 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -72 | -41.9 | 176.9 | -166.4 | 170.3 | 6.5 | 0 | 0 | 112.1 | S1843 S1848 S1849 | S1843-Q1845 PolarHBondContact O-N 3.11Å; S1843-Q1845 VanDerWaalsContact O-N 3.15Å; Q1845-S1848 PolarHBondContact O-N 3.15Å; Q1845-S1849 WeakPolarHBondContact O-CB 3.12Å; Q1845-S1849 PolarHBondContact O-N 2.73Å |
| 1846 | E | 86.5 | Confident | 89.3 | Confident | 100 Ų | 100 | 73.1 Ų | 73.1 | 47% | 0.467 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 173.9 | -74.3 | 164 | 143.3 | 0 | 0 | 111.5 | V1842 S1843 S1848 S1849 F1850 | V1842-E1846 HydrophobicContact CG1-CB 3.93Å; S1843-E1846 PolarHBondContact N-OE2 3.42Å; S1843-E1846 PolarHBondContact O-N 2.81Å; S1843-E1846 VanDerWaalsContact O-N 3.12Å; S1843-E1846 WeakPolarHBondContact OG-CB 3.19Å; S1843-E1846 VanDerWaalsContact OG-CD 3.32Å; S1843-E1846 VanDerWaalsContact OG-CG 3.25Å; S1843-E1846 WeakPolarHBondContact OG-CG 3.16Å; S1843-E1846 PolarHBondContact OG-N 3.3Å; S1843-E1846 PolarHBondContact OG-OE2 2.62Å; E1846-S1848 VanDerWaalsContact C-N 3.34Å; E1846-S1848 PolarHBondContact O-N 2.82Å; E1846-S1849 WeakPolarHBondContact O-CB 3.34Å; E1846-S1849 PolarHBondContact O-N 2.68Å; E1846-S1849 PolarHBondContact O-OG 2.83Å; E1846-F1850 PolarHBondContact O-N 2.89Å |
| 1847 | L | 90.4 | Very high | 89 | Confident | 7 Ų | 7 | 75.9 Ų | 75.9 | 4% | 0.037 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61 | -45.3 | 173.8 | -173 | 66.9 | 0 | 0 | 0 | 110.8 | T1428 P1729 Y1732 V1842 S1843 S1849 F1850 M1851 | T1428-L1847 HydrophobicContact CG2-CD2 3.8Å; T1428-L1847 HydrophobicContact CG2-CG 4.44Å; P1729-L1847 HydrophobicContact CB-CD1 4.1Å; P1729-L1847 HydrophobicContact CG-CD1 4Å; Y1732-L1847 HydrophobicContact CD1-CD2 3.69Å; Y1732-L1847 HydrophobicContact CD2-CD2 3.9Å; Y1732-L1847 HydrophobicContact CE1-CD2 3.8Å; Y1732-L1847 HydrophobicContact CE2-CD2 3.98Å; Y1732-L1847 HydrophobicContact CG-CD1 4.49Å; Y1732-L1847 HydrophobicContact CG-CD2 3.74Å; V1842-L1847 HydrophobicContact CG1-CB 4.31Å; S1843-L1847 PolarHBondContact O-N 2.81Å; L1847-S1849 VanDerWaalsContact C-N 3.27Å; L1847-S1849 PolarHBondContact O-N 3.36Å; L1847-F1850 WeakPolarHBondContact O-CB 3.37Å; L1847-F1850 PolarHBondContact O-N 2.96Å; L1847-F1850 VanDerWaalsContact O-N 3.13Å; L1847-M1851 HydrophobicContact CD1-CE 3.59Å; L1847-M1851 HydrophobicContact CG-CE 4.15Å; L1847-M1851 WeakPolarHBondContact O-CG 3.22Å; L1847-M1851 PolarHBondContact O-N 2.88Å |
| 1848 | S | 89.6 | Confident | 88.9 | Confident | 46 Ų | 46 | 68.4 Ų | 68.4 | 32% | 0.322 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.4 | -36 | 176 | -63.2 | 0 | 0 | 0 | 0 | 112.3 | Q1425 D1844 Q1845 E1846 F1850 M1851 A1852 | Q1425-S1848 PolarHBondContact NE2-O 3.14Å; D1844-S1848 VanDerWaalsContact O-CB 3.3Å; D1844-S1848 WeakPolarHBondContact O-CB 3.26Å; D1844-S1848 PolarHBondContact O-N 2.8Å; D1844-S1848 PolarHBondContact O-OG 3.43Å; Q1845-S1848 PolarHBondContact O-N 3.15Å; E1846-S1848 VanDerWaalsContact C-N 3.34Å; E1846-S1848 PolarHBondContact O-N 2.82Å; S1848-F1850 VanDerWaalsContact C-N 3.35Å; S1848-M1851 PolarHBondContact O-N 3.29Å; S1848-A1852 PolarHBondContact O-N 2.75Å; S1848-A1852 VanDerWaalsContact O-N 3.09Å |
| 1849 | S | 87.5 | Confident | 88.6 | Confident | 78 Ų | 78 | 62.4 Ų | 62.4 | 55% | 0.545 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.5 | -35.2 | 175.5 | 82.1 | 0 | 0 | 0 | 0 | 112.4 | Q1845 E1846 L1847 P1853 | Q1845-S1849 WeakPolarHBondContact O-CB 3.12Å; Q1845-S1849 PolarHBondContact O-N 2.73Å; E1846-S1849 WeakPolarHBondContact O-CB 3.34Å; E1846-S1849 PolarHBondContact O-N 2.68Å; E1846-S1849 PolarHBondContact O-OG 2.83Å; L1847-S1849 VanDerWaalsContact C-N 3.27Å; L1847-S1849 PolarHBondContact O-N 3.36Å; S1849-P1853 WeakPolarHBondContact O-CD 3.49Å |
| 1850 | F | 89.2 | Confident | 88.1 | Confident | 61 Ų | 61 | 68.3 Ų | 68.3 | 27% | 0.268 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -70.4 | -35.2 | 173.9 | -172.9 | -86.7 | 0 | 0 | 0 | 112 | P1729 E1846 L1847 S1848 P1853 L1854 | P1729-F1850 HydrophobicContact CG-CD1 3.43Å; P1729-F1850 VanDerWaalsContact CG-CD1 3.43Å; P1729-F1850 HydrophobicContact CG-CE1 3.42Å; P1729-F1850 VanDerWaalsContact CG-CE1 3.42Å; P1729-F1850 HydrophobicContact CG-CG 4.17Å; P1729-F1850 HydrophobicContact CG-CZ 4.15Å; E1846-F1850 PolarHBondContact O-N 2.89Å; L1847-F1850 WeakPolarHBondContact O-CB 3.37Å; L1847-F1850 PolarHBondContact O-N 2.96Å; L1847-F1850 VanDerWaalsContact O-N 3.13Å; S1848-F1850 VanDerWaalsContact C-N 3.35Å; F1850-P1853 WeakPolarHBondContact O-CD 3.4Å; F1850-L1854 HydrophobicContact CD1-CD1 4.11Å; F1850-L1854 HydrophobicContact CE1-CD1 3.77Å |
| 1851 | M | 92.9 | Very high | 87.6 | Confident | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.005 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -78.1 | -24.2 | -179.1 | -63.3 | -54.6 | 160.1 | 0 | 0 | 114.1 | M1424 Q1425 T1428 W1466 P1729 L1847 S1848 L1854 S1855 | M1424-M1851 HydrophobicContact CB-CB 4.03Å; M1424-M1851 HydrophobicContact CB-CG 4.5Å; M1424-M1851 HydrophobicContact CB-SD 4.18Å; M1424-M1851 HydrophobicContact CE-SD 4.28Å; Q1425-M1851 HydrophobicContact CB-CB 4.43Å; Q1425-M1851 HydrophobicContact CG-CB 3.61Å; T1428-M1851 HydrophobicContact CG2-CE 4.37Å; W1466-M1851 HydrophobicContact CZ2-CE 3.76Å; P1729-M1851 HydrophobicContact CB-CE 3.99Å; P1729-M1851 HydrophobicContact CG-CE 3.56Å; L1847-M1851 HydrophobicContact CD1-CE 3.59Å; L1847-M1851 HydrophobicContact CG-CE 4.15Å; L1847-M1851 WeakPolarHBondContact O-CG 3.22Å; L1847-M1851 PolarHBondContact O-N 2.88Å; S1848-M1851 PolarHBondContact O-N 3.29Å; M1851-L1854 PolarHBondContact O-N 3.4Å; M1851-L1854 HydrophobicContact SD-CD1 4.13Å; M1851-S1855 PolarHBondContact O-N 2.89Å; M1851-S1855 PolarHBondContact O-OG 2.81Å |
| 1852 | A | 89.5 | Confident | 87.3 | Confident | 42 Ų | 42 | 62.2 Ų | 62.2 | 35% | 0.347 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.3 | -46.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1848 L1854 S1855 K1856 | S1848-A1852 PolarHBondContact O-N 2.75Å; S1848-A1852 VanDerWaalsContact O-N 3.09Å; A1852-L1854 PolarHBondContact O-N 3.45Å; A1852-S1855 WeakPolarHBondContact O-CB 3.22Å; A1852-S1855 PolarHBondContact O-N 2.78Å; A1852-K1856 PolarHBondContact O-N 2.85Å; A1852-K1856 VanDerWaalsContact O-N 3.1Å |
| 1853 | P | 87.8 | Confident | 86.9 | Confident | 74 Ų | 74 | 63 Ų | 63 | 48% | 0.481 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 173.7 | -22.6 | 32.4 | 0 | 0 | 0 | 112.7 | S1849 F1850 S1855 K1856 M1857 | S1849-P1853 WeakPolarHBondContact O-CD 3.49Å; F1850-P1853 WeakPolarHBondContact O-CD 3.4Å; P1853-S1855 VanDerWaalsContact C-N 3.34Å; P1853-S1855 PolarHBondContact O-N 3.31Å; P1853-K1856 PolarHBondContact O-N 3.47Å; P1853-M1857 WeakPolarHBondContact O-CG 3.06Å; P1853-M1857 PolarHBondContact O-N 3.42Å |
| 1854 | L | 89.4 | Confident | 86.8 | Confident | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 178 | -65.5 | 177.3 | 0 | 0 | 0 | 111.5 | M1424 F1850 M1851 A1852 K1856 M1857 Y1858 | M1424-L1854 HydrophobicContact CB-CB 4.26Å; M1424-L1854 HydrophobicContact CE-CD1 4.41Å; M1424-L1854 HydrophobicContact CG-CB 3.77Å; F1850-L1854 HydrophobicContact CD1-CD1 4.11Å; F1850-L1854 HydrophobicContact CE1-CD1 3.77Å; M1851-L1854 PolarHBondContact O-N 3.4Å; M1851-L1854 HydrophobicContact SD-CD1 4.13Å; A1852-L1854 PolarHBondContact O-N 3.45Å; L1854-K1856 VanDerWaalsContact C-N 3.34Å; L1854-K1856 PolarHBondContact O-N 3.42Å; L1854-M1857 PolarHBondContact O-N 3.43Å; L1854-Y1858 HydrophobicContact CB-CD2 4.45Å; L1854-Y1858 HydrophobicContact CB-CE2 4.3Å; L1854-Y1858 WeakPolarHBondContact O-CD2 3.12Å; L1854-Y1858 PolarHBondContact O-N 2.91Å |
| 1855 | S | 91.6 | Very high | 86.5 | Confident | 13 Ų | 13 | 61.1 Ų | 61.1 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.1 | -47.8 | 175.2 | -54.5 | 0 | 0 | 0 | 0 | 111.1 | N1422 M1424 M1851 A1852 P1853 M1857 T1859 | N1422-S1855 CarbonylContact O-C 3.57Å; N1422-S1855 WeakPolarHBondContact O-CB 3.39Å; M1424-S1855 WeakPolarHBondContact CB-OG 3.5Å; M1424-S1855 PolarHBondContact N-OG 3.19Å; M1851-S1855 PolarHBondContact O-N 2.89Å; M1851-S1855 PolarHBondContact O-OG 2.81Å; A1852-S1855 WeakPolarHBondContact O-CB 3.22Å; A1852-S1855 PolarHBondContact O-N 2.78Å; P1853-S1855 VanDerWaalsContact C-N 3.34Å; P1853-S1855 PolarHBondContact O-N 3.31Å; S1855-M1857 VanDerWaalsContact C-N 3.35Å; S1855-M1857 PolarHBondContact O-N 3.13Å; S1855-T1859 WeakPolarHBondContact O-CB 3.13Å; S1855-T1859 PolarHBondContact O-N 2.89Å; S1855-T1859 PolarHBondContact O-OG1 2.76Å |
| 1856 | K | 88.4 | Confident | 86.3 | Confident | 142 Ų | 142 | 53.7 Ų | 53.7 | 62% | 0.617 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.6 | -41.7 | 179.2 | -171.5 | 177.7 | 180 | -179.2 | 0 | 112 | A1852 P1853 L1854 Q1860 | A1852-K1856 PolarHBondContact O-N 2.85Å; A1852-K1856 VanDerWaalsContact O-N 3.1Å; P1853-K1856 PolarHBondContact O-N 3.47Å; L1854-K1856 VanDerWaalsContact C-N 3.34Å; L1854-K1856 PolarHBondContact O-N 3.42Å; K1856-Q1860 WeakPolarHBondContact O-CG 3.31Å; K1856-Q1860 PolarHBondContact O-N 3.21Å |
| 1857 | M | 86.1 | Confident | 86.3 | Confident | 60 Ų | 60 | 49 Ų | 49 | 30% | 0.296 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.3 | -48.7 | 179.7 | -73.6 | -174.5 | 58.8 | 0 | 0 | 112.4 | R1340 P1853 L1854 S1855 T1859 Q1860 E1861 | R1340-M1857 PolarHBondContact NH1-SD 2.93Å; P1853-M1857 WeakPolarHBondContact O-CG 3.06Å; P1853-M1857 PolarHBondContact O-N 3.42Å; L1854-M1857 PolarHBondContact O-N 3.43Å; S1855-M1857 VanDerWaalsContact C-N 3.35Å; S1855-M1857 PolarHBondContact O-N 3.13Å; M1857-T1859 VanDerWaalsContact C-N 3.31Å; M1857-T1859 PolarHBondContact O-N 3.49Å; M1857-Q1860 PolarHBondContact O-N 3.28Å; M1857-Q1860 VanDerWaalsContact O-N 3.14Å; M1857-E1861 PolarHBondContact O-N 2.89Å |
| 1858 | Y | 87.6 | Confident | 86.3 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.3 | -33 | 178.8 | -68.6 | -55.7 | 0 | 0 | 0 | 112.5 | R1340 A1344 M1421 M1424 L1469 L1854 Q1860 E1861 W1862 | R1340-Y1858 HydrophobicContact CG-CE1 3.76Å; A1344-Y1858 HydrophobicContact CB-CE1 4.36Å; M1421-Y1858 HydrophobicContact CB-CD2 4.45Å; M1421-Y1858 HydrophobicContact CB-CG 4.49Å; M1421-Y1858 HydrophobicContact CE-CD1 3.41Å; M1421-Y1858 VanDerWaalsContact CE-CD1 3.41Å; M1421-Y1858 HydrophobicContact CE-CD2 4.09Å; M1421-Y1858 HydrophobicContact CE-CE1 3.48Å; M1421-Y1858 VanDerWaalsContact CE-CE1 3.48Å; M1421-Y1858 HydrophobicContact CE-CE2 4.18Å; M1421-Y1858 HydrophobicContact CE-CG 3.74Å; M1421-Y1858 HydrophobicContact CG-CG 4.43Å; M1421-Y1858 WeakPolarHBondContact O-CB 3.37Å; M1424-Y1858 HydrophobicContact CG-CD2 3.94Å; M1424-Y1858 HydrophobicContact CG-CE2 4.31Å; M1424-Y1858 HydrophobicContact SD-CD2 4.05Å; M1424-Y1858 HydrophobicContact SD-CE2 4.1Å; L1469-Y1858 HydrophobicContact CB-CE2 4.46Å; L1469-Y1858 HydrophobicContact CD2-CE1 4.28Å; L1469-Y1858 HydrophobicContact CD2-CE2 4.45Å; L1469-Y1858 WeakPolarHBondContact CD2-OH 3.13Å; L1854-Y1858 HydrophobicContact CB-CD2 4.45Å; L1854-Y1858 HydrophobicContact CB-CE2 4.3Å; L1854-Y1858 WeakPolarHBondContact O-CD2 3.12Å; L1854-Y1858 PolarHBondContact O-N 2.91Å; Y1858-Q1860 PolarHBondContact O-N 2.83Å; Y1858-E1861 PolarHBondContact O-N 3.01Å; Y1858-W1862 WeakPolarHBondContact O-CA 3.35Å; Y1858-W1862 WeakPolarHBondContact O-CB 3.11Å; Y1858-W1862 PolarHBondContact O-N 2.85Å |
| 1859 | T | 85 | Confident | 86.2 | Confident | 79 Ų | 79 | 50.2 Ų | 50.2 | 49% | 0.485 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.5 | -30.7 | 173.1 | -58.9 | 0 | 0 | 0 | 0 | 112.9 | N1422 S1855 M1857 | N1422-T1859 PolarHBondContact O-OG1 3.24Å; S1855-T1859 WeakPolarHBondContact O-CB 3.13Å; S1855-T1859 PolarHBondContact O-N 2.89Å; S1855-T1859 PolarHBondContact O-OG1 2.76Å; M1857-T1859 VanDerWaalsContact C-N 3.31Å; M1857-T1859 PolarHBondContact O-N 3.49Å |
| 1860 | Q | 78.9 | Confident | 86.3 | Confident | 148 Ų | 148 | 48 Ų | 48 | 69% | 0.692 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -84.9 | -33.6 | -178.7 | -71 | -179.9 | -13.4 | 0 | 0 | 113.4 | K1856 M1857 Y1858 | K1856-Q1860 WeakPolarHBondContact O-CG 3.31Å; K1856-Q1860 PolarHBondContact O-N 3.21Å; M1857-Q1860 PolarHBondContact O-N 3.28Å; M1857-Q1860 VanDerWaalsContact O-N 3.14Å; Y1858-Q1860 PolarHBondContact O-N 2.83Å |
| 1861 | E | 76.4 | Confident | 86.4 | Confident | 95 Ų | 95 | 45.1 Ų | 45.1 | 44% | 0.444 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -102.8 | -21.5 | -172.7 | -65.2 | -175.5 | 176.7 | 0 | 0 | 114.1 | Y1341 M1857 Y1858 | Y1341-E1861 VanDerWaalsContact CD2-O 3.31Å; Y1341-E1861 WeakPolarHBondContact CD2-O 3.48Å; M1857-E1861 PolarHBondContact O-N 2.89Å; Y1858-E1861 PolarHBondContact O-N 3.01Å |
| 1862 | W | 82.6 | Confident | 86.3 | Confident | 11 Ų | 11 | 45.1 Ų | 45.1 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | trans | -114 | 124.8 | -168.3 | -162.5 | -88.9 | 0 | 0 | 0 | 112.9 | Y1341 A1344 A1345 L1348 F1349 I1357 A1418 M1421 N1422 Y1858 | Y1341-W1862 HydrophobicContact CD2-CD2 4.42Å; Y1341-W1862 AromaticContact CD2-CE3 3.43Å; Y1341-W1862 HydrophobicContact CD2-CE3 3.43Å; Y1341-W1862 VanDerWaalsContact CD2-CE3 3.43Å; Y1341-W1862 AromaticContact CD2-CZ3 3.82Å; Y1341-W1862 HydrophobicContact CD2-CZ3 3.82Å; Y1341-W1862 HydrophobicContact CE2-CD2 4.29Å; Y1341-W1862 AromaticContact CE2-CE3 3.57Å; Y1341-W1862 HydrophobicContact CE2-CE3 3.57Å; Y1341-W1862 AromaticContact CE2-CZ3 3.85Å; Y1341-W1862 HydrophobicContact CE2-CZ3 3.85Å; Y1341-W1862 HydrophobicContact CG-CE3 4.37Å; Y1341-W1862 HydrophobicContact CG-CZ3 4.43Å; A1344-W1862 HydrophobicContact CB-CE3 4.41Å; A1344-W1862 HydrophobicContact CB-CH2 4.39Å; A1344-W1862 HydrophobicContact CB-CZ3 3.84Å; A1345-W1862 HydrophobicContact CB-CH2 4.06Å; A1345-W1862 HydrophobicContact CB-CZ3 4.17Å; L1348-W1862 HydrophobicContact CD1-CH2 3.97Å; L1348-W1862 HydrophobicContact CD1-CZ2 3.91Å; F1349-W1862 HydrophobicContact CE2-CZ2 4.11Å; I1357-W1862 HydrophobicContact CD1-CH2 3.5Å; I1357-W1862 VanDerWaalsContact CD1-CH2 3.5Å; I1357-W1862 HydrophobicContact CD1-CZ2 3.95Å; I1357-W1862 HydrophobicContact CD1-CZ3 4.32Å; I1357-W1862 HydrophobicContact CG1-CH2 4.04Å; I1357-W1862 HydrophobicContact CG1-CZ2 3.97Å; I1357-W1862 HydrophobicContact CG2-CD2 4.31Å; I1357-W1862 HydrophobicContact CG2-CE3 4.43Å; I1357-W1862 HydrophobicContact CG2-CH2 3.92Å; I1357-W1862 HydrophobicContact CG2-CZ2 3.75Å; I1357-W1862 HydrophobicContact CG2-CZ3 4.24Å; A1418-W1862 HydrophobicContact CB-CZ2 4.16Å; A1418-W1862 PolarHBondContact O-NE1 2.6Å; M1421-W1862 HydrophobicContact CE-CD2 4.44Å; M1421-W1862 HydrophobicContact CG-CG 4.28Å; M1421-W1862 HydrophobicContact SD-CB 4.43Å; M1421-W1862 HydrophobicContact SD-CD2 3.56Å; M1421-W1862 VanDerWaalsContact SD-CD2 3.56Å; M1421-W1862 VanDerWaalsContact SD-CE2 3.52Å; M1421-W1862 HydrophobicContact SD-CE3 4.21Å; M1421-W1862 HydrophobicContact SD-CG 3.63Å; M1421-W1862 HydrophobicContact SD-CZ2 4.14Å; N1422-W1862 PolarHBondContact ND2-O 3.45Å; Y1858-W1862 WeakPolarHBondContact O-CA 3.35Å; Y1858-W1862 WeakPolarHBondContact O-CB 3.11Å; Y1858-W1862 PolarHBondContact O-N 2.85Å | ||
| 1863 | D | 80.6 | Confident | 86.3 | Confident | 40 Ų | 40 | 46.6 Ų | 46.6 | 21% | 0.214 | 23% | 0.228 | C | C | . | . | trans | -90.8 | 110.8 | 173 | -163 | -27.5 | 0 | 0 | 0 | 110.7 | L1359 R1865 | L1359-D1863 HydrophobicContact CD1-CB 4.13Å; L1359-D1863 WeakPolarHBondContact CD1-OD2 3.47Å; L1359-D1863 WeakPolarHBondContact CD2-OD2 3.47Å; D1863-R1865 VanDerWaalsContact C-N 3.29Å; D1863-R1865 PolarHBondContact O-N 2.81Å; D1863-R1865 VanDerWaalsContact OD1-CB 3.23Å; D1863-R1865 WeakPolarHBondContact OD1-CB 3.03Å; D1863-R1865 VanDerWaalsContact OD1-CG 3.24Å; D1863-R1865 WeakPolarHBondContact OD1-CG 3.45Å; D1863-R1865 IonicContact OD1-CZ 3.67Å; D1863-R1865 PolarHBondContact OD1-N 2.9Å; D1863-R1865 IonicContact OD1-NE 3.69Å; D1863-R1865 PolarHBondContact OD1-NE 3.36Å; D1863-R1865 IonicContact OD1-NH2 3.24Å; D1863-R1865 IonicContact OD2-CZ 2.82Å; D1863-R1865 VanDerWaalsContact OD2-CZ 3.24Å; D1863-R1865 IonicContact OD2-NE 2.85Å; D1863-R1865 PolarHBondContact OD2-NE 2.92Å; D1863-R1865 IonicContact OD2-NH2 3.5Å; D1863-R1865 PolarHBondContact OD2-NH2 2.83Å | ||
| 1864 | T | 85.6 | Confident | 86.5 | Confident | 10 Ų | 10 | 44.4 Ų | 44.4 | 6% | 0.061 | 21% | 0.211 | C | C | . | . | trans | -72 | -22.9 | -179.4 | 51.6 | 0 | 0 | 0 | 0 | 112.6 | E1382 A1419 N1422 G1866 A1867 V1868 | E1382-T1864 PolarHBondContact OE1-OG1 2.79Å; A1419-T1864 WeakPolarHBondContact O-CG2 3.35Å; N1422-T1864 HydrophobicContact CB-CG2 4.23Å; N1422-T1864 WeakPolarHBondContact ND2-CG2 3.48Å; N1422-T1864 WeakPolarHBondContact OD1-CG2 3.23Å; T1864-G1866 VanDerWaalsContact C-N 3.29Å; T1864-G1866 PolarHBondContact O-N 2.85Å; T1864-A1867 WeakPolarHBondContact O-CB 3.2Å; T1864-A1867 PolarHBondContact O-N 2.74Å; T1864-V1868 WeakPolarHBondContact O-CG2 3.33Å; T1864-V1868 PolarHBondContact O-N 2.8Å | ||
| 1865 | R | 83 | Confident | 86.5 | Confident | 105 Ų | 105 | 44.2 Ų | 44.2 | 40% | 0.396 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59 | -37.9 | -166.1 | -68 | 177.9 | -74.6 | -175.4 | -8.7 | 113.3 | D1863 V1868 R1869 | D1863-R1865 VanDerWaalsContact C-N 3.29Å; D1863-R1865 PolarHBondContact O-N 2.81Å; D1863-R1865 VanDerWaalsContact OD1-CB 3.23Å; D1863-R1865 WeakPolarHBondContact OD1-CB 3.03Å; D1863-R1865 VanDerWaalsContact OD1-CG 3.24Å; D1863-R1865 WeakPolarHBondContact OD1-CG 3.45Å; D1863-R1865 IonicContact OD1-CZ 3.67Å; D1863-R1865 PolarHBondContact OD1-N 2.9Å; D1863-R1865 IonicContact OD1-NE 3.69Å; D1863-R1865 PolarHBondContact OD1-NE 3.36Å; D1863-R1865 IonicContact OD1-NH2 3.24Å; D1863-R1865 IonicContact OD2-CZ 2.82Å; D1863-R1865 VanDerWaalsContact OD2-CZ 3.24Å; D1863-R1865 IonicContact OD2-NE 2.85Å; D1863-R1865 PolarHBondContact OD2-NE 2.92Å; D1863-R1865 IonicContact OD2-NH2 3.5Å; D1863-R1865 PolarHBondContact OD2-NH2 2.83Å; R1865-V1868 PolarHBondContact O-N 3.48Å; R1865-R1869 WeakPolarHBondContact O-CB 3.48Å; R1865-R1869 PolarHBondContact O-N 2.87Å |
| 1866 | G | 82.8 | Confident | 86.4 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 9% | 0.093 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.8 | -45.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1356 T1864 R1869 E1870 | V1356-G1866 WeakPolarHBondContact O-CA 3.28Å; T1864-G1866 VanDerWaalsContact C-N 3.29Å; T1864-G1866 PolarHBondContact O-N 2.85Å; G1866-R1869 PolarHBondContact O-N 3.27Å; G1866-E1870 WeakPolarHBondContact O-CG 2.96Å; G1866-E1870 PolarHBondContact O-N 2.83Å; G1866-E1870 VanDerWaalsContact O-N 3.16Å |
| 1867 | A | 87.8 | Confident | 86.4 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 3% | 0.025 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.7 | -41.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1415 A1418 A1419 T1864 R1869 E1870 L1871 | L1415-A1867 HydrophobicContact CD2-CB 4.16Å; A1418-A1867 HydrophobicContact CB-CB 3.77Å; A1419-A1867 HydrophobicContact CB-CB 4.29Å; T1864-A1867 WeakPolarHBondContact O-CB 3.2Å; T1864-A1867 PolarHBondContact O-N 2.74Å; A1867-R1869 VanDerWaalsContact C-N 3.33Å; A1867-R1869 PolarHBondContact O-N 2.82Å; A1867-E1870 PolarHBondContact O-N 3.44Å; A1867-L1871 VanDerWaalsContact O-CG 3.3Å; A1867-L1871 WeakPolarHBondContact O-CG 2.99Å; A1867-L1871 PolarHBondContact O-N 2.91Å |
| 1868 | V | 89.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.3 | -40.5 | 175.8 | -177.3 | 0 | 0 | 0 | 0 | 111.1 | I1378 F1381 E1382 L1385 A1419 T1864 R1865 L1871 F1872 | I1378-V1868 HydrophobicContact CG2-CB 4.36Å; I1378-V1868 HydrophobicContact CG2-CG1 3.83Å; F1381-V1868 HydrophobicContact CD1-CG1 3.92Å; E1382-V1868 HydrophobicContact CB-CG1 3.98Å; E1382-V1868 HydrophobicContact CG-CG1 4.44Å; E1382-V1868 HydrophobicContact CG-CG2 4.15Å; L1385-V1868 HydrophobicContact CD1-CG1 4.21Å; L1385-V1868 HydrophobicContact CD1-CG2 4.33Å; A1419-V1868 HydrophobicContact CB-CG2 4.02Å; T1864-V1868 WeakPolarHBondContact O-CG2 3.33Å; T1864-V1868 PolarHBondContact O-N 2.8Å; R1865-V1868 PolarHBondContact O-N 3.48Å; V1868-L1871 PolarHBondContact O-N 2.92Å; V1868-F1872 WeakPolarHBondContact O-CB 3.41Å; V1868-F1872 PolarHBondContact O-N 2.79Å |
| 1869 | R | 87.2 | Confident | 86.8 | Confident | 77 Ų | 77 | 46.9 Ų | 46.9 | 29% | 0.291 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.8 | -50.9 | 175.5 | -173.5 | -167.8 | 79.8 | -175.9 | 3.4 | 111.2 | I1378 R1865 G1866 A1867 L1871 F1872 L1873 | I1378-R1869 HydrophobicContact CD1-CB 4.35Å; I1378-R1869 HydrophobicContact CD1-CG 4.14Å; R1865-R1869 WeakPolarHBondContact O-CB 3.48Å; R1865-R1869 PolarHBondContact O-N 2.87Å; G1866-R1869 PolarHBondContact O-N 3.27Å; A1867-R1869 VanDerWaalsContact C-N 3.33Å; A1867-R1869 PolarHBondContact O-N 2.82Å; R1869-L1871 VanDerWaalsContact C-N 3.32Å; R1869-L1871 PolarHBondContact O-N 3.4Å; R1869-F1872 WeakPolarHBondContact O-CB 3.3Å; R1869-F1872 PolarHBondContact O-N 2.74Å; R1869-F1872 VanDerWaalsContact O-N 3.15Å; R1869-L1873 WeakPolarHBondContact O-CG 3.36Å; R1869-L1873 PolarHBondContact O-N 3.48Å |
| 1870 | E | 89.4 | Confident | 87 | Confident | 33 Ų | 33 | 48 Ų | 48 | 15% | 0.154 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.7 | -41.1 | 178.6 | -66.9 | -56.9 | 129.9 | 0 | 0 | 111.4 | V1356 L1415 G1866 A1867 F1872 L1873 Y1874 | V1356-E1870 HydrophobicContact CG1-CG 4.13Å; V1356-E1870 HydrophobicContact CG2-CG 4.11Å; L1415-E1870 HydrophobicContact CD1-CB 3.76Å; L1415-E1870 HydrophobicContact CD2-CB 3.88Å; L1415-E1870 HydrophobicContact CD2-CG 4.34Å; L1415-E1870 HydrophobicContact CG-CB 4.49Å; G1866-E1870 WeakPolarHBondContact O-CG 2.96Å; G1866-E1870 PolarHBondContact O-N 2.83Å; G1866-E1870 VanDerWaalsContact O-N 3.16Å; A1867-E1870 PolarHBondContact O-N 3.44Å; E1870-F1872 VanDerWaalsContact C-N 3.33Å; E1870-F1872 PolarHBondContact O-N 3.37Å; E1870-L1873 WeakPolarHBondContact O-CB 3.34Å; E1870-L1873 PolarHBondContact O-N 3.45Å; E1870-Y1874 WeakPolarHBondContact O-CD2 3.3Å; E1870-Y1874 PolarHBondContact O-N 2.86Å; E1870-Y1874 VanDerWaalsContact O-N 3.16Å |
| 1871 | L | 92.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.7 | -37 | 174 | -70.9 | 169.3 | 0 | 0 | 0 | 112.8 | F1381 L1385 F1394 V1412 L1415 L1416 A1419 A1867 V1868 R1869 L1873 Y1874 A1875 | F1381-L1871 HydrophobicContact CE1-CB 3.9Å; F1381-L1871 HydrophobicContact CZ-CB 4.46Å; L1385-L1871 HydrophobicContact CD1-CD1 3.98Å; F1394-L1871 HydrophobicContact CE1-CD2 4.26Å; V1412-L1871 HydrophobicContact CG1-CD2 4.16Å; L1415-L1871 HydrophobicContact CB-CD1 4.31Å; L1415-L1871 HydrophobicContact CB-CD2 3.71Å; L1415-L1871 HydrophobicContact CB-CG 3.84Å; L1415-L1871 HydrophobicContact CD1-CD2 4.36Å; L1416-L1871 HydrophobicContact CD2-CD1 3.9Å; L1416-L1871 HydrophobicContact CD2-CD2 4.01Å; L1416-L1871 HydrophobicContact CG-CD1 4.29Å; L1416-L1871 HydrophobicContact CG-CD2 3.85Å; A1419-L1871 HydrophobicContact CB-CD1 3.62Å; A1867-L1871 VanDerWaalsContact O-CG 3.3Å; A1867-L1871 WeakPolarHBondContact O-CG 2.99Å; A1867-L1871 PolarHBondContact O-N 2.91Å; V1868-L1871 PolarHBondContact O-N 2.92Å; R1869-L1871 VanDerWaalsContact C-N 3.32Å; R1869-L1871 PolarHBondContact O-N 3.4Å; L1871-L1873 VanDerWaalsContact C-N 3.31Å; L1871-Y1874 WeakPolarHBondContact O-CB 3.38Å; L1871-Y1874 PolarHBondContact O-N 3.48Å; L1871-A1875 PolarHBondContact O-N 2.89Å |
| 1872 | F | 91.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.8 | -35.4 | 175.7 | -175.5 | -111.5 | 0 | 0 | 0 | 111.4 | W1374 A1377 I1378 F1381 V1868 R1869 E1870 Y1874 A1875 L1876 A1904 T1905 | W1374-F1872 HydrophobicContact CE3-CE1 4.25Å; W1374-F1872 AromaticContact CH2-CD1 3.88Å; W1374-F1872 HydrophobicContact CH2-CD1 3.88Å; W1374-F1872 AromaticContact CH2-CE1 3.85Å; W1374-F1872 HydrophobicContact CH2-CE1 3.85Å; W1374-F1872 AromaticContact CZ3-CD1 3.46Å; W1374-F1872 HydrophobicContact CZ3-CD1 3.46Å; W1374-F1872 VanDerWaalsContact CZ3-CD1 3.46Å; W1374-F1872 AromaticContact CZ3-CE1 3.45Å; W1374-F1872 HydrophobicContact CZ3-CE1 3.45Å; W1374-F1872 VanDerWaalsContact CZ3-CE1 3.45Å; A1377-F1872 HydrophobicContact CB-CZ 4.25Å; I1378-F1872 HydrophobicContact CG1-CD1 4.34Å; F1381-F1872 HydrophobicContact CB-CD2 3.54Å; F1381-F1872 HydrophobicContact CB-CE2 3.96Å; F1381-F1872 HydrophobicContact CB-CG 4.45Å; F1381-F1872 HydrophobicContact CD1-CB 3.78Å; F1381-F1872 AromaticContact CD1-CD2 3.85Å; F1381-F1872 HydrophobicContact CD1-CD2 3.85Å; F1381-F1872 HydrophobicContact CD1-CG 4.28Å; F1381-F1872 AromaticContact CD2-CD2 3.8Å; F1381-F1872 HydrophobicContact CD2-CD2 3.8Å; F1381-F1872 HydrophobicContact CD2-CE2 4.4Å; F1381-F1872 HydrophobicContact CE1-CB 4.05Å; F1381-F1872 HydrophobicContact CE1-CD2 4.49Å; F1381-F1872 HydrophobicContact CE2-CD2 4.45Å; F1381-F1872 HydrophobicContact CG-CB 4.3Å; F1381-F1872 AromaticContact CG-CD2 3.45Å; F1381-F1872 HydrophobicContact CG-CD2 3.45Å; F1381-F1872 VanDerWaalsContact CG-CD2 3.45Å; F1381-F1872 HydrophobicContact CG-CE2 4.23Å; F1381-F1872 HydrophobicContact CG-CG 4.31Å; V1868-F1872 WeakPolarHBondContact O-CB 3.41Å; V1868-F1872 PolarHBondContact O-N 2.79Å; R1869-F1872 WeakPolarHBondContact O-CB 3.3Å; R1869-F1872 PolarHBondContact O-N 2.74Å; R1869-F1872 VanDerWaalsContact O-N 3.15Å; E1870-F1872 VanDerWaalsContact C-N 3.33Å; E1870-F1872 PolarHBondContact O-N 3.37Å; F1872-Y1874 VanDerWaalsContact C-N 3.33Å; F1872-Y1874 PolarHBondContact O-N 2.77Å; F1872-A1875 CarbonylContact O-C 3.5Å; F1872-A1875 WeakPolarHBondContact O-CB 3.32Å; F1872-A1875 PolarHBondContact O-N 2.03Å; F1872-A1875 VanDerWaalsContact O-N 3.12Å; F1872-L1876 HydrophobicContact CD1-CD1 3.8Å; F1872-L1876 HydrophobicContact CD1-CG 4.17Å; F1872-L1876 HydrophobicContact CE1-CD1 3.5Å; F1872-L1876 VanDerWaalsContact CE1-CD1 3.5Å; F1872-L1876 HydrophobicContact CE1-CD2 4.25Å; F1872-L1876 HydrophobicContact CE1-CG 3.89Å; F1872-L1876 HydrophobicContact CE2-CG 4.46Å; F1872-L1876 HydrophobicContact CZ-CD1 4.12Å; F1872-L1876 HydrophobicContact CZ-CD2 4.01Å; F1872-L1876 HydrophobicContact CZ-CG 4.06Å; F1872-L1876 WeakPolarHBondContact O-CG 2.89Å; F1872-L1876 PolarHBondContact O-N 2.9Å; F1872-A1904 WeakPolarHBondContact CZ-O 3.27Å; F1872-T1905 HydrophobicContact CE2-CG2 4.05Å |
| 1873 | L | 89.3 | Confident | 88.6 | Confident | 73 Ų | 73 | 39.7 Ų | 39.7 | 38% | 0.382 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63 | -39 | 171.7 | -64.9 | 175.7 | 0 | 0 | 0 | 111.9 | W1374 R1869 E1870 L1871 A1875 L1876 R1877 | W1374-L1873 HydrophobicContact CH2-CD2 4.42Å; R1869-L1873 WeakPolarHBondContact O-CG 3.36Å; R1869-L1873 PolarHBondContact O-N 3.48Å; E1870-L1873 WeakPolarHBondContact O-CB 3.34Å; E1870-L1873 PolarHBondContact O-N 3.45Å; L1871-L1873 VanDerWaalsContact C-N 3.31Å; L1873-A1875 VanDerWaalsContact C-N 3.34Å; L1873-L1876 PolarHBondContact O-N 2.83Å; L1873-R1877 VanDerWaalsContact O-CB 3.3Å; L1873-R1877 WeakPolarHBondContact O-CB 3.05Å; L1873-R1877 PolarHBondContact O-N 2.85Å |
| 1874 | Y | 91.2 | Very high | 89.1 | Confident | 29 Ų | 29 | 41.5 Ų | 41.5 | 11% | 0.114 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.1 | -39.8 | 170.3 | -82.7 | -82.8 | 0 | 0 | 0 | 112 | F1404 V1412 L1415 E1870 L1871 F1872 R1877 Y1878 | F1404-Y1874 HydrophobicContact CD2-CE1 4.47Å; F1404-Y1874 HydrophobicContact CE2-CD1 4.2Å; F1404-Y1874 AromaticContact CE2-CE1 3.8Å; F1404-Y1874 HydrophobicContact CE2-CE1 3.8Å; V1412-Y1874 HydrophobicContact CG2-CD1 4.1Å; V1412-Y1874 HydrophobicContact CG2-CD2 3.98Å; V1412-Y1874 HydrophobicContact CG2-CE1 3.93Å; V1412-Y1874 HydrophobicContact CG2-CE2 3.8Å; V1412-Y1874 HydrophobicContact CG2-CG 4.14Å; L1415-Y1874 HydrophobicContact CD1-CD2 4.5Å; L1415-Y1874 HydrophobicContact CD1-CE2 4.24Å; E1870-Y1874 WeakPolarHBondContact O-CD2 3.3Å; E1870-Y1874 PolarHBondContact O-N 2.86Å; E1870-Y1874 VanDerWaalsContact O-N 3.16Å; L1871-Y1874 WeakPolarHBondContact O-CB 3.38Å; L1871-Y1874 PolarHBondContact O-N 3.48Å; F1872-Y1874 VanDerWaalsContact C-N 3.33Å; F1872-Y1874 PolarHBondContact O-N 2.77Å; Y1874-R1877 PolarHBondContact O-N 3.27Å; Y1874-Y1878 HydrophobicContact CD1-CD2 4.32Å; Y1874-Y1878 AromaticContact CD1-CE2 3.95Å; Y1874-Y1878 HydrophobicContact CD1-CE2 3.95Å; Y1874-Y1878 HydrophobicContact CE1-CE2 4.49Å; Y1874-Y1878 WeakPolarHBondContact O-CD2 3.31Å; Y1874-Y1878 PolarHBondContact O-N 3.16Å |
| 1875 | A | 90.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67 | -35.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | F1381 F1394 L1871 F1872 L1873 Y1878 Q1879 F1901 | F1381-A1875 HydrophobicContact CD2-CB 4.29Å; F1381-A1875 HydrophobicContact CE2-CB 3.43Å; F1381-A1875 VanDerWaalsContact CE2-CB 3.43Å; F1381-A1875 HydrophobicContact CZ-CB 3.6Å; F1394-A1875 HydrophobicContact CE2-CB 3.77Å; F1394-A1875 HydrophobicContact CZ-CB 4.2Å; L1871-A1875 PolarHBondContact O-N 2.89Å; F1872-A1875 CarbonylContact O-C 3.5Å; F1872-A1875 WeakPolarHBondContact O-CB 3.32Å; F1872-A1875 PolarHBondContact O-N 2.03Å; F1872-A1875 VanDerWaalsContact O-N 3.12Å; L1873-A1875 VanDerWaalsContact C-N 3.34Å; A1875-Y1878 CarbonylContact O-C 3.52Å; A1875-Q1879 WeakPolarHBondContact O-CA 3.37Å; A1875-Q1879 PolarHBondContact O-N 2.8Å; A1875-F1901 HydrophobicContact CB-CE2 3.99Å; A1875-F1901 HydrophobicContact CB-CZ 4.29Å |
| 1876 | L | 89.2 | Confident | 89.7 | Confident | 38 Ų | 38 | 37 Ų | 37 | 20% | 0.199 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.9 | -43.4 | 171.6 | -71.9 | 175.1 | 0 | 0 | 0 | 111.4 | W1374 F1872 L1873 Y1878 Q1879 T1905 P1909 | W1374-L1876 HydrophobicContact CH2-CD1 4.39Å; F1872-L1876 HydrophobicContact CD1-CD1 3.8Å; F1872-L1876 HydrophobicContact CD1-CG 4.17Å; F1872-L1876 HydrophobicContact CE1-CD1 3.5Å; F1872-L1876 VanDerWaalsContact CE1-CD1 3.5Å; F1872-L1876 HydrophobicContact CE1-CD2 4.25Å; F1872-L1876 HydrophobicContact CE1-CG 3.89Å; F1872-L1876 HydrophobicContact CE2-CG 4.46Å; F1872-L1876 HydrophobicContact CZ-CD1 4.12Å; F1872-L1876 HydrophobicContact CZ-CD2 4.01Å; F1872-L1876 HydrophobicContact CZ-CG 4.06Å; F1872-L1876 WeakPolarHBondContact O-CG 2.89Å; F1872-L1876 PolarHBondContact O-N 2.9Å; L1873-L1876 PolarHBondContact O-N 2.83Å; L1876-Y1878 VanDerWaalsContact C-N 3.25Å; L1876-Y1878 PolarHBondContact O-N 3.44Å; L1876-Q1879 WeakPolarHBondContact O-CB 2.97Å; L1876-Q1879 PolarHBondContact O-N 2.83Å; L1876-T1905 HydrophobicContact CD2-CG2 3.96Å; L1876-P1909 HydrophobicContact CD1-CG 3.83Å |
| 1877 | R | 89 | Confident | 90 | Very high | 146 Ų | 146 | 39 Ų | 39 | 55% | 0.551 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -61 | -35.1 | 178.7 | -175.3 | 176.7 | -178.3 | -166.1 | -1.7 | 112.4 | E1408 L1873 Y1874 | E1408-R1877 IonicContact OE1-NH1 2.83Å; L1873-R1877 VanDerWaalsContact O-CB 3.3Å; L1873-R1877 WeakPolarHBondContact O-CB 3.05Å; L1873-R1877 PolarHBondContact O-N 2.85Å; Y1874-R1877 PolarHBondContact O-N 3.27Å |
| 1878 | Y | 91 | Very high | 90.2 | Very high | 12 Ų | 12 | 46.9 Ų | 46.9 | 5% | 0.047 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116 | 29.9 | -178.9 | -59.4 | -71.9 | 0 | 0 | 0 | 112.6 | L1398 Q1401 T1403 Y1874 A1875 L1876 D1880 Q1881 V1882 | L1398-Y1878 HydrophobicContact CD2-CD2 3.24Å; L1398-Y1878 HydrophobicContact CD2-CE2 3.91Å; L1398-Y1878 HydrophobicContact CD2-CG 3.78Å; Q1401-Y1878 HydrophobicContact CB-CE1 4.31Å; Q1401-Y1878 HydrophobicContact CG-CD1 3.88Å; Q1401-Y1878 HydrophobicContact CG-CE1 3.85Å; T1403-Y1878 PolarHBondContact OG1-OH 3.21Å; Y1874-Y1878 HydrophobicContact CD1-CD2 4.32Å; Y1874-Y1878 AromaticContact CD1-CE2 3.95Å; Y1874-Y1878 HydrophobicContact CD1-CE2 3.95Å; Y1874-Y1878 HydrophobicContact CE1-CE2 4.49Å; Y1874-Y1878 WeakPolarHBondContact O-CD2 3.31Å; Y1874-Y1878 PolarHBondContact O-N 3.16Å; A1875-Y1878 CarbonylContact O-C 3.52Å; L1876-Y1878 VanDerWaalsContact C-N 3.25Å; L1876-Y1878 PolarHBondContact O-N 3.44Å; Y1878-D1880 VanDerWaalsContact C-N 3.32Å; Y1878-D1880 PolarHBondContact O-N 3.4Å; Y1878-Q1881 PolarHBondContact O-N 2.74Å; Y1878-Q1881 PolarHBondContact O-OE1 3.24Å; Y1878-Q1881 VanDerWaalsContact O-OE1 3.12Å; Y1878-V1882 VanDerWaalsContact O-CG2 3.29Å; Y1878-V1882 WeakPolarHBondContact O-CG2 2.97Å; Y1878-V1882 PolarHBondContact O-N 3.26Å |
| 1879 | Q | 90 | Very high | 89.9 | Confident | 77 Ų | 77 | 48.2 Ų | 48.2 | 36% | 0.36 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -49.5 | -51.1 | -174 | 168.4 | -175.1 | -56.3 | 0 | 0 | 112.3 | A1875 L1876 Q1881 V1882 A1883 F1901 | A1875-Q1879 WeakPolarHBondContact O-CA 3.37Å; A1875-Q1879 PolarHBondContact O-N 2.8Å; L1876-Q1879 WeakPolarHBondContact O-CB 2.97Å; L1876-Q1879 PolarHBondContact O-N 2.83Å; Q1879-Q1881 PolarHBondContact O-N 2.83Å; Q1879-V1882 PolarHBondContact O-N 3.45Å; Q1879-A1883 VanDerWaalsContact O-CB 3.32Å; Q1879-A1883 WeakPolarHBondContact O-CB 3.34Å; Q1879-A1883 PolarHBondContact O-N 2.9Å; Q1879-F1901 HydrophobicContact CG-CE1 4.39Å |
| 1880 | D | 88.9 | Confident | 89.9 | Confident | 101 Ų | 101 | 49.2 Ų | 49.2 | 54% | 0.54 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.7 | -39.2 | -174.1 | -61.2 | -28.8 | 0 | 0 | 0 | 111.1 | Y1878 A1883 I1884 | Y1878-D1880 VanDerWaalsContact C-N 3.32Å; Y1878-D1880 PolarHBondContact O-N 3.4Å; D1880-A1883 PolarHBondContact O-N 2.82Å; D1880-I1884 WeakPolarHBondContact O-CB 2.95Å; D1880-I1884 WeakPolarHBondContact O-CD1 3.38Å; D1880-I1884 WeakPolarHBondContact O-CG1 3.05Å; D1880-I1884 PolarHBondContact O-N 2.8Å |
| 1881 | Q | 93.2 | Very high | 89.7 | Confident | 64 Ų | 64 | 51.2 Ų | 51.2 | 30% | 0.299 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.9 | -39.1 | 179.2 | -59.6 | 81.9 | 4.5 | 0 | 0 | 111.7 | A1397 Y1878 Q1879 I1884 E1885 | A1397-Q1881 HydrophobicContact CB-CB 4.48Å; Y1878-Q1881 PolarHBondContact O-N 2.74Å; Y1878-Q1881 PolarHBondContact O-OE1 3.24Å; Y1878-Q1881 VanDerWaalsContact O-OE1 3.12Å; Q1879-Q1881 PolarHBondContact O-N 2.83Å; Q1881-I1884 PolarHBondContact O-N 2.87Å; Q1881-E1885 PolarHBondContact O-N 2.99Å |
| 1882 | V | 89.6 | Confident | 89.3 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.1 | -45.9 | 174.2 | 176.6 | 0 | 0 | 0 | 0 | 110 | F1390 F1394 A1397 Y1878 Q1879 I1884 E1885 V1886 F1901 | F1390-V1882 HydrophobicContact CE2-CG1 4.19Å; F1390-V1882 HydrophobicContact CZ-CG1 4.24Å; F1394-V1882 HydrophobicContact CD2-CB 4.47Å; F1394-V1882 HydrophobicContact CD2-CG1 3.98Å; F1394-V1882 HydrophobicContact CD2-CG2 3.57Å; F1394-V1882 HydrophobicContact CE2-CG2 3.88Å; A1397-V1882 HydrophobicContact CB-CB 4.43Å; A1397-V1882 HydrophobicContact CB-CG2 3.89Å; Y1878-V1882 VanDerWaalsContact O-CG2 3.29Å; Y1878-V1882 WeakPolarHBondContact O-CG2 2.97Å; Y1878-V1882 PolarHBondContact O-N 3.26Å; Q1879-V1882 PolarHBondContact O-N 3.45Å; V1882-I1884 VanDerWaalsContact C-N 3.33Å; V1882-I1884 PolarHBondContact O-N 3.29Å; V1882-E1885 PolarHBondContact O-N 3.44Å; V1882-V1886 HydrophobicContact CG1-CG2 4.22Å; V1882-V1886 WeakPolarHBondContact O-CB 2.92Å; V1882-V1886 WeakPolarHBondContact O-CG2 3.11Å; V1882-V1886 PolarHBondContact O-N 2.8Å; V1882-F1901 HydrophobicContact CB-CE1 4.04Å; V1882-F1901 HydrophobicContact CB-CZ 3.97Å; V1882-F1901 HydrophobicContact CG1-CD1 4.34Å; V1882-F1901 HydrophobicContact CG1-CE1 3.84Å; V1882-F1901 HydrophobicContact CG1-CE2 4.1Å; V1882-F1901 HydrophobicContact CG1-CZ 3.71Å |
| 1883 | A | 89.9 | Confident | 89.1 | Confident | 17 Ų | 17 | 55.6 Ų | 55.6 | 14% | 0.14 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.4 | -42.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q1879 D1880 V1886 S1887 L1898 F1901 | Q1879-A1883 VanDerWaalsContact O-CB 3.32Å; Q1879-A1883 WeakPolarHBondContact O-CB 3.34Å; Q1879-A1883 PolarHBondContact O-N 2.9Å; D1880-A1883 PolarHBondContact O-N 2.82Å; A1883-V1886 PolarHBondContact O-N 2.94Å; A1883-S1887 VanDerWaalsContact O-CB 3.3Å; A1883-S1887 WeakPolarHBondContact O-CB 3.37Å; A1883-S1887 PolarHBondContact O-N 2.88Å; A1883-S1887 PolarHBondContact O-OG 3.26Å; A1883-L1898 HydrophobicContact CB-CD1 3.85Å; A1883-L1898 WeakPolarHBondContact O-CD1 3Å; A1883-F1901 HydrophobicContact CB-CD1 4.5Å; A1883-F1901 HydrophobicContact CB-CE1 4.42Å |
| 1884 | I | 91.5 | Very high | 88.9 | Confident | 77 Ų | 77 | 55.2 Ų | 55.2 | 40% | 0.395 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.5 | -49.1 | 176.5 | -71.3 | 163.4 | 0 | 0 | 0 | 111 | D1880 Q1881 V1882 V1886 S1887 R1888 | D1880-I1884 WeakPolarHBondContact O-CB 2.95Å; D1880-I1884 WeakPolarHBondContact O-CD1 3.38Å; D1880-I1884 WeakPolarHBondContact O-CG1 3.05Å; D1880-I1884 PolarHBondContact O-N 2.8Å; Q1881-I1884 PolarHBondContact O-N 2.87Å; V1882-I1884 VanDerWaalsContact C-N 3.33Å; V1882-I1884 PolarHBondContact O-N 3.29Å; I1884-V1886 PolarHBondContact O-N 2.89Å; I1884-S1887 PolarHBondContact O-N 3.01Å; I1884-S1887 PolarHBondContact O-OG 2.79Å; I1884-R1888 WeakPolarHBondContact O-CG 3Å; I1884-R1888 PolarHBondContact O-N 3.43Å; I1884-R1888 VanDerWaalsContact O-N 3.09Å |
| 1885 | E | 91.5 | Very high | 88.6 | Confident | 21 Ų | 21 | 58.7 Ų | 58.7 | 10% | 0.098 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.8 | -30.2 | -179 | -77.3 | -54.8 | 142.1 | 0 | 0 | 113.6 | C1393 K1396 A1397 Q1881 V1882 R1888 D1889 | C1393-E1885 HydrophobicContact CB-CB 4.46Å; K1396-E1885 WeakPolarHBondContact CE-OE2 3.33Å; K1396-E1885 IonicContact NZ-OE2 2.87Å; K1396-E1885 PolarHBondContact NZ-OE2 2.94Å; A1397-E1885 HydrophobicContact CB-CB 4.19Å; A1397-E1885 HydrophobicContact CB-CG 4.16Å; Q1881-E1885 PolarHBondContact O-N 2.99Å; V1882-E1885 PolarHBondContact O-N 3.44Å; E1885-R1888 PolarHBondContact O-N 3.23Å; E1885-R1888 IonicContact OE1-CZ 3.91Å; E1885-R1888 IonicContact OE1-NH1 3.47Å; E1885-R1888 PolarHBondContact OE1-NH1 2.7Å; E1885-D1889 PolarHBondContact O-N 3.21Å |
| 1886 | V | 88.2 | Confident | 88.6 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.8 | -37.2 | 170.9 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | F1390 C1393 V1882 A1883 I1884 R1888 D1889 A1892 L1897 L1898 | F1390-V1886 HydrophobicContact CD2-CG2 3.89Å; F1390-V1886 HydrophobicContact CE2-CG2 3.99Å; C1393-V1886 HydrophobicContact CB-CG2 3.83Å; V1882-V1886 HydrophobicContact CG1-CG2 4.22Å; V1882-V1886 WeakPolarHBondContact O-CB 2.92Å; V1882-V1886 WeakPolarHBondContact O-CG2 3.11Å; V1882-V1886 PolarHBondContact O-N 2.8Å; A1883-V1886 PolarHBondContact O-N 2.94Å; I1884-V1886 PolarHBondContact O-N 2.89Å; V1886-R1888 VanDerWaalsContact C-N 3.28Å; V1886-R1888 PolarHBondContact O-N 2.82Å; V1886-D1889 PolarHBondContact O-N 2.76Å; V1886-A1892 HydrophobicContact CG1-CB 3.99Å; V1886-A1892 WeakPolarHBondContact O-CB 3.44Å; V1886-L1897 HydrophobicContact CG1-CB 4.01Å; V1886-L1898 HydrophobicContact CB-CD1 4.3Å; V1886-L1898 HydrophobicContact CG1-CB 3.93Å; V1886-L1898 HydrophobicContact CG1-CD1 4.27Å |
| 1887 | S | 90 | Very high | 88.6 | Confident | 51 Ų | 51 | 65.3 Ų | 65.3 | 36% | 0.357 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -71.5 | -19 | 177.2 | 77 | 0 | 0 | 0 | 0 | 114.3 | A1883 I1884 I1893 | A1883-S1887 VanDerWaalsContact O-CB 3.3Å; A1883-S1887 WeakPolarHBondContact O-CB 3.37Å; A1883-S1887 PolarHBondContact O-N 2.88Å; A1883-S1887 PolarHBondContact O-OG 3.26Å; I1884-S1887 PolarHBondContact O-N 3.01Å; I1884-S1887 PolarHBondContact O-OG 2.79Å; S1887-I1893 WeakPolarHBondContact O-CD1 3.37Å |
| 1888 | R | 90.8 | Very high | 88.6 | Confident | 169 Ų | 169 | 60.4 Ų | 60.4 | 64% | 0.638 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -89 | -19.6 | 178.3 | -75.3 | 174 | 177 | 173.4 | -2.4 | 113.3 | I1884 E1885 V1886 P1890 | I1884-R1888 WeakPolarHBondContact O-CG 3Å; I1884-R1888 PolarHBondContact O-N 3.43Å; I1884-R1888 VanDerWaalsContact O-N 3.09Å; E1885-R1888 PolarHBondContact O-N 3.23Å; E1885-R1888 IonicContact OE1-CZ 3.91Å; E1885-R1888 IonicContact OE1-NH1 3.47Å; E1885-R1888 PolarHBondContact OE1-NH1 2.7Å; V1886-R1888 VanDerWaalsContact C-N 3.28Å; V1886-R1888 PolarHBondContact O-N 2.82Å; R1888-P1890 WeakPolarHBondContact O-CD 3.4Å |
| 1889 | D | 84.3 | Confident | 88.5 | Confident | 27 Ų | 27 | 65.4 Ų | 65.4 | 14% | 0.144 | 34% | 0.34 | C | S | . | . | trans | -90.1 | 115.4 | -178.2 | -170.3 | -82 | 0 | 0 | 0 | 111.1 | Q1389 C1393 E1885 V1886 T1891 A1892 I1893 | Q1389-D1889 VanDerWaalsContact CD-CG 3.48Å; Q1389-D1889 VanDerWaalsContact CG-OD1 3.24Å; Q1389-D1889 WeakPolarHBondContact CG-OD1 3Å; Q1389-D1889 PolarHBondContact NE2-OD1 2.8Å; Q1389-D1889 VanDerWaalsContact NE2-OD1 3.14Å; Q1389-D1889 PolarHBondContact NE2-OD2 2.95Å; C1393-D1889 VanDerWaalsContact SG-CB 3.56Å; E1885-D1889 PolarHBondContact O-N 3.21Å; V1886-D1889 PolarHBondContact O-N 2.76Å; D1889-T1891 VanDerWaalsContact C-N 3.25Å; D1889-T1891 PolarHBondContact O-N 3.5Å; D1889-T1891 WeakPolarHBondContact OD1-CA 2.9Å; D1889-T1891 VanDerWaalsContact OD1-CB 3.27Å; D1889-T1891 WeakPolarHBondContact OD1-CB 3.31Å; D1889-T1891 PolarHBondContact OD1-N 3.48Å; D1889-T1891 PolarHBondContact OD1-OG1 2.88Å; D1889-A1892 HydrophobicContact CB-CB 3.88Å; D1889-A1892 WeakPolarHBondContact O-CB 3.12Å; D1889-A1892 PolarHBondContact O-N 3.35Å; D1889-A1892 PolarHBondContact OD1-N 3.44Å; D1889-I1893 WeakPolarHBondContact O-CG1 3.17Å; D1889-I1893 PolarHBondContact O-N 2.66Å | ||
| 1890 | P | 87.9 | Confident | 88.4 | Confident | 99 Ų | 99 | 67.4 Ų | 67.4 | 64% | 0.643 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.1 | -32.1 | -173.9 | 22.6 | -31.8 | 0 | 0 | 0 | 112.8 | R1888 G1894 | R1888-P1890 WeakPolarHBondContact O-CD 3.4Å; P1890-G1894 PolarHBondContact O-N 3.46Å |
| 1891 | T | 85.7 | Confident | 88.5 | Confident | 74 Ų | 74 | 62.6 Ų | 62.6 | 45% | 0.454 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69 | -38.2 | 175.5 | -0.9 | 0 | 0 | 0 | 0 | 111.6 | D1889 G1894 Q1895 | D1889-T1891 VanDerWaalsContact C-N 3.25Å; D1889-T1891 PolarHBondContact O-N 3.5Å; D1889-T1891 WeakPolarHBondContact OD1-CA 2.9Å; D1889-T1891 VanDerWaalsContact OD1-CB 3.27Å; D1889-T1891 WeakPolarHBondContact OD1-CB 3.31Å; D1889-T1891 PolarHBondContact OD1-N 3.48Å; D1889-T1891 PolarHBondContact OD1-OG1 2.88Å; T1891-G1894 PolarHBondContact O-N 2.75Å; T1891-Q1895 WeakPolarHBondContact O-CG 3.3Å; T1891-Q1895 PolarHBondContact O-N 3.21Å; T1891-Q1895 VanDerWaalsContact O-N 3.17Å |
| 1892 | A | 82.3 | Confident | 88.3 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.4 | -38.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q1389 V1886 D1889 Q1895 R1896 L1897 | Q1389-A1892 HydrophobicContact CG-CB 3.91Å; V1886-A1892 HydrophobicContact CG1-CB 3.99Å; V1886-A1892 WeakPolarHBondContact O-CB 3.44Å; D1889-A1892 HydrophobicContact CB-CB 3.88Å; D1889-A1892 WeakPolarHBondContact O-CB 3.12Å; D1889-A1892 PolarHBondContact O-N 3.35Å; D1889-A1892 PolarHBondContact OD1-N 3.44Å; A1892-Q1895 PolarHBondContact O-N 2.95Å; A1892-R1896 PolarHBondContact O-N 3.18Å; A1892-L1897 HydrophobicContact CB-CB 4.43Å; A1892-L1897 HydrophobicContact CB-CD1 3.89Å; A1892-L1897 PolarHBondContact O-N 2.8Å |
| 1893 | I | 87 | Confident | 88.1 | Confident | 93 Ų | 93 | 70.1 Ų | 70.1 | 48% | 0.477 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 173.5 | -61 | 167.9 | 0 | 0 | 0 | 110.1 | S1887 D1889 Q1895 R1896 | S1887-I1893 WeakPolarHBondContact O-CD1 3.37Å; D1889-I1893 WeakPolarHBondContact O-CG1 3.17Å; D1889-I1893 PolarHBondContact O-N 2.66Å; I1893-Q1895 PolarHBondContact O-N 2.69Å; I1893-R1896 PolarHBondContact O-N 3.16Å |
| 1894 | G | 85.3 | Confident | 87.8 | Confident | 65 Ų | 65 | 69.3 Ų | 69.3 | 67% | 0.67 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -58.9 | -31.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | P1890 T1891 R1896 | P1890-G1894 PolarHBondContact O-N 3.46Å; T1891-G1894 PolarHBondContact O-N 2.75Å; G1894-R1896 VanDerWaalsContact C-N 3.34Å |
| 1895 | Q | 86.3 | Confident | 87.4 | Confident | 102 Ų | 102 | 66 Ų | 66 | 48% | 0.477 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 4 | 176.4 | -70.3 | -177.1 | 2.1 | 0 | 0 | 114.1 | S1387 T1891 A1892 I1893 L1897 | S1387-Q1895 PolarHBondContact OG-OE1 2.72Å; T1891-Q1895 WeakPolarHBondContact O-CG 3.3Å; T1891-Q1895 PolarHBondContact O-N 3.21Å; T1891-Q1895 VanDerWaalsContact O-N 3.17Å; A1892-Q1895 PolarHBondContact O-N 2.95Å; I1893-Q1895 PolarHBondContact O-N 2.69Å; Q1895-L1897 HydrophobicContact CB-CD1 4.13Å; Q1895-L1897 HydrophobicContact CB-CD2 3.99Å; Q1895-L1897 HydrophobicContact CB-CG 3.71Å; Q1895-L1897 PolarHBondContact O-N 2.76Å |
| 1896 | R | 89.3 | Confident | 86.8 | Confident | 172 Ų | 172 | 69.3 Ų | 69.3 | 65% | 0.649 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 34.9 | -176.2 | -55.8 | -173.3 | -176.5 | -176 | -0.1 | 113.5 | A1892 I1893 G1894 L1898 R1900 | A1892-R1896 PolarHBondContact O-N 3.18Å; I1893-R1896 PolarHBondContact O-N 3.16Å; G1894-R1896 VanDerWaalsContact C-N 3.34Å; R1896-L1898 VanDerWaalsContact C-N 3.3Å; R1896-L1898 PolarHBondContact O-N 3.42Å; R1896-R1900 WeakPolarHBondContact O-CG 3.46Å; R1896-R1900 PolarHBondContact O-N 2.67Å |
| 1897 | L | 88.9 | Confident | 85.6 | Confident | 4 Ų | 4 | 71.2 Ų | 71.2 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -69.6 | -30.3 | -176.7 | -58.9 | 176.3 | 0 | 0 | 0 | 112.1 | L1384 S1387 Q1389 F1390 V1886 A1892 Q1895 R1900 F1901 | L1384-L1897 HydrophobicContact CD2-CD2 4.23Å; S1387-L1897 VanDerWaalsContact OG-CD1 3.3Å; S1387-L1897 WeakPolarHBondContact OG-CD1 3.07Å; Q1389-L1897 HydrophobicContact CB-CD1 4.19Å; F1390-L1897 HydrophobicContact CB-CD1 4.05Å; V1886-L1897 HydrophobicContact CG1-CB 4.01Å; A1892-L1897 HydrophobicContact CB-CB 4.43Å; A1892-L1897 HydrophobicContact CB-CD1 3.89Å; A1892-L1897 PolarHBondContact O-N 2.8Å; Q1895-L1897 HydrophobicContact CB-CD1 4.13Å; Q1895-L1897 HydrophobicContact CB-CD2 3.99Å; Q1895-L1897 HydrophobicContact CB-CG 3.71Å; Q1895-L1897 PolarHBondContact O-N 2.76Å; L1897-R1900 PolarHBondContact O-N 2.63Å; L1897-F1901 WeakPolarHBondContact O-CB 3.34Å; L1897-F1901 PolarHBondContact O-N 3.39Å |
| 1898 | L | 88.7 | Confident | 84 | Confident | 43 Ų | 43 | 77 Ų | 77 | 23% | 0.225 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.2 | -48.8 | 177.6 | -174.9 | 63.6 | 0 | 0 | 0 | 111.7 | A1883 V1886 R1896 R1900 F1901 Q1902 | A1883-L1898 HydrophobicContact CB-CD1 3.85Å; A1883-L1898 WeakPolarHBondContact O-CD1 3Å; V1886-L1898 HydrophobicContact CB-CD1 4.3Å; V1886-L1898 HydrophobicContact CG1-CB 3.93Å; V1886-L1898 HydrophobicContact CG1-CD1 4.27Å; R1896-L1898 VanDerWaalsContact C-N 3.3Å; R1896-L1898 PolarHBondContact O-N 3.42Å; L1898-R1900 VanDerWaalsContact C-N 3.34Å; L1898-R1900 PolarHBondContact O-N 3.06Å; L1898-F1901 PolarHBondContact O-N 2.68Å; L1898-Q1902 WeakPolarHBondContact O-CG 3.09Å; L1898-Q1902 PolarHBondContact O-N 2.7Å |
| 1899 | E | 88.7 | Confident | 82.1 | Confident | 118 Ų | 118 | 71.1 Ų | 71.1 | 55% | 0.551 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.1 | -44.2 | 178.3 | -69.2 | 176.6 | 169 | 0 | 0 | 110.9 | F1901 Q1902 Q1903 | E1899-F1901 VanDerWaalsContact C-N 3.35Å; E1899-F1901 PolarHBondContact O-N 2.69Å; E1899-Q1902 PolarHBondContact O-N 3.45Å; E1899-Q1903 WeakPolarHBondContact O-CB 3.34Å; E1899-Q1903 PolarHBondContact O-N 2.81Å |
| 1900 | R | 89.4 | Confident | 80.5 | Confident | 118 Ų | 118 | 76.2 Ų | 76.2 | 45% | 0.445 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.2 | -36.8 | 177.7 | -65.9 | 178.9 | 92.3 | -178.6 | 3.7 | 112.2 | L1384 R1896 L1897 L1898 Q1903 A1904 | L1384-R1900 HydrophobicContact CD2-CB 3.76Å; R1896-R1900 WeakPolarHBondContact O-CG 3.46Å; R1896-R1900 PolarHBondContact O-N 2.67Å; L1897-R1900 PolarHBondContact O-N 2.63Å; L1898-R1900 VanDerWaalsContact C-N 3.34Å; L1898-R1900 PolarHBondContact O-N 3.06Å; R1900-Q1903 PolarHBondContact O-N 2.71Å; R1900-A1904 PolarHBondContact O-N 2.62Å |
| 1901 | F | 90.4 | Very high | 78 | Confident | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -66 | -45.3 | 174 | 179.7 | -112.4 | 0 | 0 | 0 | 112.3 | F1381 L1384 F1390 A1875 Q1879 V1882 A1883 L1897 L1898 E1899 Q1903 A1904 T1905 | F1381-F1901 HydrophobicContact CD2-CD2 4.44Å; F1381-F1901 HydrophobicContact CD2-CE2 4.31Å; F1381-F1901 HydrophobicContact CE2-CE2 4.13Å; L1384-F1901 VanDerWaalsContact CD1-CA 3.44Å; L1384-F1901 HydrophobicContact CD1-CB 3.87Å; L1384-F1901 HydrophobicContact CD1-CD2 3.99Å; L1384-F1901 HydrophobicContact CD1-CG 4.46Å; F1390-F1901 HydrophobicContact CE2-CB 4Å; F1390-F1901 AromaticContact CE2-CD2 3.67Å; F1390-F1901 HydrophobicContact CE2-CD2 3.67Å; F1390-F1901 HydrophobicContact CE2-CE2 4.39Å; F1390-F1901 AromaticContact CE2-CG 3.91Å; F1390-F1901 HydrophobicContact CE2-CG 3.91Å; F1390-F1901 AromaticContact CZ-CD2 3.51Å; F1390-F1901 HydrophobicContact CZ-CD2 3.51Å; F1390-F1901 AromaticContact CZ-CE2 3.94Å; F1390-F1901 HydrophobicContact CZ-CE2 3.94Å; F1390-F1901 HydrophobicContact CZ-CG 4.23Å; A1875-F1901 HydrophobicContact CB-CE2 3.99Å; A1875-F1901 HydrophobicContact CB-CZ 4.29Å; Q1879-F1901 HydrophobicContact CG-CE1 4.39Å; V1882-F1901 HydrophobicContact CB-CE1 4.04Å; V1882-F1901 HydrophobicContact CB-CZ 3.97Å; V1882-F1901 HydrophobicContact CG1-CD1 4.34Å; V1882-F1901 HydrophobicContact CG1-CE1 3.84Å; V1882-F1901 HydrophobicContact CG1-CE2 4.1Å; V1882-F1901 HydrophobicContact CG1-CZ 3.71Å; A1883-F1901 HydrophobicContact CB-CD1 4.5Å; A1883-F1901 HydrophobicContact CB-CE1 4.42Å; L1897-F1901 WeakPolarHBondContact O-CB 3.34Å; L1897-F1901 PolarHBondContact O-N 3.39Å; L1898-F1901 PolarHBondContact O-N 2.68Å; E1899-F1901 VanDerWaalsContact C-N 3.35Å; E1899-F1901 PolarHBondContact O-N 2.69Å; F1901-Q1903 VanDerWaalsContact C-N 3.26Å; F1901-Q1903 PolarHBondContact O-N 3.44Å; F1901-A1904 PolarHBondContact O-N 3.45Å; F1901-T1905 HydrophobicContact CD2-CG2 4.19Å; F1901-T1905 HydrophobicContact CE1-CG2 4.24Å; F1901-T1905 HydrophobicContact CE2-CG2 3.67Å; F1901-T1905 HydrophobicContact CZ-CG2 3.7Å; F1901-T1905 PolarHBondContact O-N 2.65Å; F1901-T1905 PolarHBondContact O-OG1 2.7Å |
| 1902 | Q | 88.9 | Confident | 77.6 | Confident | 103 Ų | 103 | 81.4 Ų | 81.4 | 48% | 0.481 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.9 | -37 | 174.8 | -72.6 | 175 | -27.6 | 0 | 0 | 111.4 | L1898 E1899 T1905 S1906 | L1898-Q1902 WeakPolarHBondContact O-CG 3.09Å; L1898-Q1902 PolarHBondContact O-N 2.7Å; E1899-Q1902 PolarHBondContact O-N 3.45Å; Q1902-T1905 WeakPolarHBondContact CA-OG1 3.36Å; Q1902-T1905 PolarHBondContact O-N 3.18Å; Q1902-T1905 PolarHBondContact O-OG1 2.65Å; Q1902-S1906 WeakPolarHBondContact O-CB 2.85Å; Q1902-S1906 PolarHBondContact O-N 2.65Å |
| 1903 | Q | 84.4 | Confident | 77.4 | Confident | 119 Ų | 119 | 85.6 Ų | 85.6 | 56% | 0.556 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -64.7 | -45.8 | 176.8 | -154.7 | 170.2 | 24.4 | 0 | 0 | 111.8 | E1899 R1900 F1901 T1905 S1906 | E1899-Q1903 WeakPolarHBondContact O-CB 3.34Å; E1899-Q1903 PolarHBondContact O-N 2.81Å; R1900-Q1903 PolarHBondContact O-N 2.71Å; F1901-Q1903 VanDerWaalsContact C-N 3.26Å; F1901-Q1903 PolarHBondContact O-N 3.44Å; Q1903-T1905 VanDerWaalsContact C-N 3.34Å; Q1903-T1905 PolarHBondContact O-N 3.31Å; Q1903-S1906 PolarHBondContact O-N 2.79Å; Q1903-S1906 PolarHBondContact O-OG 3Å |
| 1904 | A | 83.7 | Confident | 76.9 | Confident | 0 Ų | 0 | 85.2 Ų | 85.2 | 0% | 0 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -64.4 | -36.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q1380 F1381 L1384 F1872 R1900 F1901 T1907 | Q1380-A1904 HydrophobicContact CB-CB 3.72Å; F1381-A1904 HydrophobicContact CB-CB 4.41Å; L1384-A1904 HydrophobicContact CD1-CB 4.41Å; F1872-A1904 WeakPolarHBondContact CZ-O 3.27Å; R1900-A1904 PolarHBondContact O-N 2.62Å; F1901-A1904 PolarHBondContact O-N 3.45Å; A1904-T1907 PolarHBondContact O-OG1 2.72Å; A1904-T1907 VanDerWaalsContact O-OG1 3.11Å |
| 1905 | T | 84.3 | Confident | 76.4 | Confident | 9 Ų | 9 | 86.4 Ų | 86.4 | 6% | 0.055 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -86 | -17.5 | -177.5 | 49.4 | 0 | 0 | 0 | 0 | 114.1 | F1872 L1876 F1901 Q1902 Q1903 T1907 | F1872-T1905 HydrophobicContact CE2-CG2 4.05Å; L1876-T1905 HydrophobicContact CD2-CG2 3.96Å; F1901-T1905 HydrophobicContact CD2-CG2 4.19Å; F1901-T1905 HydrophobicContact CE1-CG2 4.24Å; F1901-T1905 HydrophobicContact CE2-CG2 3.67Å; F1901-T1905 HydrophobicContact CZ-CG2 3.7Å; F1901-T1905 PolarHBondContact O-N 2.65Å; F1901-T1905 PolarHBondContact O-OG1 2.7Å; Q1902-T1905 WeakPolarHBondContact CA-OG1 3.36Å; Q1902-T1905 PolarHBondContact O-N 3.18Å; Q1902-T1905 PolarHBondContact O-OG1 2.65Å; Q1903-T1905 VanDerWaalsContact C-N 3.34Å; Q1903-T1905 PolarHBondContact O-N 3.31Å; T1905-T1907 PolarHBondContact O-N 2.97Å; T1905-T1907 VanDerWaalsContact O-N 3.17Å |
| 1906 | S | 78.5 | Confident | 75.7 | Confident | 90 Ų | 90 | 85.4 Ų | 85.4 | 63% | 0.629 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -61.5 | -24.2 | 178.7 | 69.6 | 0 | 0 | 0 | 0 | 114.2 | Q1902 Q1903 Q1908 | Q1902-S1906 WeakPolarHBondContact O-CB 2.85Å; Q1902-S1906 PolarHBondContact O-N 2.65Å; Q1903-S1906 PolarHBondContact O-N 2.79Å; Q1903-S1906 PolarHBondContact O-OG 3Å; S1906-Q1908 PolarHBondContact O-N 3.36Å; S1906-Q1908 VanDerWaalsContact O-N 3.11Å |
| 1907 | T | 63.2 | Low | 74.8 | Confident | 39 Ų | 39 | 79.7 Ų | 79.7 | 24% | 0.239 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -76.8 | 91.4 | 173.1 | 15 | 0 | 0 | 0 | 0 | 110.2 | R1373 A1377 A1904 T1905 | R1373-T1907 HydrophobicContact CB-CG2 4.29Å; A1377-T1907 WeakPolarHBondContact CB-OG1 3.48Å; A1904-T1907 PolarHBondContact O-OG1 2.72Å; A1904-T1907 VanDerWaalsContact O-OG1 3.11Å; T1905-T1907 PolarHBondContact O-N 2.97Å; T1905-T1907 VanDerWaalsContact O-N 3.17Å |
| 1908 | Q | 55.6 | Low | 73.8 | Confident | 174 Ų | 174 | 85.1 Ų | 85.1 | 81% | 0.813 | 45% | 0.45 | S | S | * | . | trans | -63.8 | 136.6 | 176.9 | -82.3 | -171.6 | -29 | 0 | 0 | 111.8 | S1906 V1910 | S1906-Q1908 PolarHBondContact O-N 3.36Å; S1906-Q1908 VanDerWaalsContact O-N 3.11Å; Q1908-V1910 PolarHBondContact O-N 3.4Å | ||
| 1909 | P | 51.6 | Low | 72.7 | Confident | 44 Ų | 44 | 88.3 Ų | 88.3 | 29% | 0.286 | 47% | 0.468 | S | S | . | . | trans | -54.6 | 124.3 | 161.3 | -20.4 | 31 | 0 | 0 | 0 | 110.7 | W1374 L1876 V1911 | W1374-P1909 HydrophobicContact CH2-CB 4.45Å; W1374-P1909 HydrophobicContact CH2-CG 3.94Å; W1374-P1909 HydrophobicContact CZ2-CB 3.4Å; W1374-P1909 VanDerWaalsContact CZ2-CB 3.4Å; W1374-P1909 HydrophobicContact CZ2-CG 3.32Å; L1876-P1909 HydrophobicContact CD1-CG 3.83Å; P1909-V1911 PolarHBondContact O-N 2.83Å | ||
| 1910 | V | 50.2 | Low | 71.3 | Confident | 134 Ų | 134 | 85.8 Ų | 85.8 | 81% | 0.812 | 46% | 0.461 | S | S | * | . | trans | -75.5 | 113 | 144.3 | -173.7 | 0 | 0 | 0 | 0 | 104.2 | Q1908 | Q1908-V1910 PolarHBondContact O-N 3.4Š| ||
| 1911 | V | 35.9 | Very low | 69.7 | Low | 200 Ų | 200 | 82.9 Ų | 82.9 | 100% | 1.212 | 46% | 0.462 | S | S | * | . | trans | -53.5 | 0 | -175.5 | 176.9 | 0 | 0 | 0 | 0 | 111.8 | P1909 | P1909-V1911 PolarHBondContact O-N 2.83Š|
Retrieved 1,911 of 1,911 residues in 1748.3 ms
(Link to these results)