| 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 | 55 | Low | 74.3 | Confident | 226 Ų | 226 | 125.3 Ų | 125.3 | 100% | 1.113 | 63% | 0.63 | S | S | * | * | 0 | 69 | 0 | -79.9 | 166.5 | 166.3 | 0 | 0 | 108.2 | |||||
| 2 | E | 63 | Low | 75.8 | Confident | 166 Ų | 166 | 122.5 Ų | 122.5 | 78% | 0.776 | 62% | 0.618 | S | S | * | * | trans | -126.3 | -21.3 | -173.9 | -68.4 | 177.4 | 174.6 | 0 | 0 | 112.8 | Y4 S6 | E2-Y4 PolarHBondContact O-N 3.21Å; E2-S6 PolarHBondContact O-N 2.72Å | ||
| 3 | L | 60.1 | Low | 77 | Confident | 148 Ų | 148 | 120.5 Ų | 120.5 | 78% | 0.775 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -74 | -18.9 | 177.2 | -60.7 | 172.6 | 0 | 0 | 0 | 112.6 | T7 | L3-T7 PolarHBondContact O-N 3.36Å; L3-T7 PolarHBondContact O-OG1 2.79Å |
| 4 | Y | 62.4 | Low | 78.2 | Confident | 154 Ų | 154 | 116.2 Ų | 116.2 | 60% | 0.604 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -74.3 | -47.9 | 177.7 | -153.1 | -132.5 | 0 | 0 | 0 | 110.4 | E2 S6 T7 Y8 | E2-Y4 PolarHBondContact O-N 3.21Å; Y4-S6 VanDerWaalsContact C-N 3.33Å; Y4-S6 PolarHBondContact O-N 2.94Å; Y4-T7 PolarHBondContact O-N 3.04Å; Y4-Y8 AromaticContact CD1-CD2 3.97Å; Y4-Y8 HydrophobicContact CD1-CD2 3.97Å; Y4-Y8 AromaticContact CD1-CE2 3.1Å; Y4-Y8 HydrophobicContact CD1-CE2 3.1Å; Y4-Y8 AromaticContact CD1-CZ 3.83Å; Y4-Y8 AromaticContact CD2-CE2 3.99Å; Y4-Y8 HydrophobicContact CD2-CE2 3.99Å; Y4-Y8 HydrophobicContact CE1-CD2 4.34Å; Y4-Y8 AromaticContact CE1-CE2 3.12Å; Y4-Y8 HydrophobicContact CE1-CE2 3.12Å; Y4-Y8 AromaticContact CE1-CZ 3.34Å; Y4-Y8 WeakPolarHBondContact CE1-OH 3.45Å; Y4-Y8 AromaticContact CE2-CE2 4Å; Y4-Y8 HydrophobicContact CE2-CE2 4Å; Y4-Y8 AromaticContact CE2-CZ 3.83Å; Y4-Y8 HydrophobicContact CG-CD2 4.11Å; Y4-Y8 AromaticContact CG-CE2 3.56Å; Y4-Y8 HydrophobicContact CG-CE2 3.56Å; Y4-Y8 AromaticContact CZ-CE2 3.59Å; Y4-Y8 AromaticContact CZ-CZ 3.35Å; Y4-Y8 WeakPolarHBondContact O-CB 3.14Å; Y4-Y8 WeakPolarHBondContact O-CD2 3.23Å; Y4-Y8 PolarHBondContact O-N 3.05Å; Y4-Y8 PolarHBondContact OH-OH 3.29Å |
| 5 | E | 72 | Confident | 79.3 | Confident | 110 Ų | 110 | 112.5 Ų | 112.5 | 51% | 0.514 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -51.5 | -47.7 | 168.9 | -107 | 62 | -149.8 | 0 | 0 | 112.8 | Y8 F9 | E5-Y8 WeakPolarHBondContact O-CB 3.35Å; E5-Y8 PolarHBondContact O-N 2.74Å; E5-F9 HydrophobicContact CB-CE2 4.41Å; E5-F9 HydrophobicContact CG-CE2 4.29Å; E5-F9 WeakPolarHBondContact O-CD2 3.47Å; E5-F9 PolarHBondContact O-N 3.35Å |
| 6 | S | 76.9 | Confident | 80.3 | Confident | 72 Ų | 72 | 110 Ų | 110 | 50% | 0.503 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.2 | -43.1 | -176.9 | -170.7 | 0 | 0 | 0 | 0 | 112.5 | E2 Y4 Y8 F9 V10 | E2-S6 PolarHBondContact O-N 2.72Å; Y4-S6 VanDerWaalsContact C-N 3.33Å; Y4-S6 PolarHBondContact O-N 2.94Å; S6-Y8 VanDerWaalsContact C-N 3.29Å; S6-Y8 PolarHBondContact O-N 3.07Å; S6-F9 PolarHBondContact O-N 2.84Å; S6-V10 WeakPolarHBondContact O-CG2 3.18Å; S6-V10 PolarHBondContact O-N 3.38Å |
| 7 | T | 82.5 | Confident | 81.2 | Confident | 89 Ų | 89 | 107.9 Ų | 107.9 | 55% | 0.546 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.3 | -37 | 176.5 | -51.6 | 0 | 0 | 0 | 0 | 111.1 | L3 Y4 V10 V11 | L3-T7 PolarHBondContact O-N 3.36Å; L3-T7 PolarHBondContact O-OG1 2.79Å; Y4-T7 PolarHBondContact O-N 3.04Å; T7-V10 PolarHBondContact O-N 3.17Å; T7-V11 PolarHBondContact O-N 3.45Å |
| 8 | Y | 85.6 | Confident | 82 | Confident | 98 Ų | 98 | 106.8 Ų | 106.8 | 38% | 0.384 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.4 | -47.7 | 172.7 | -74.6 | -52.3 | 0 | 0 | 0 | 111.8 | Y4 E5 S6 V10 V11 L12 | Y4-Y8 AromaticContact CD1-CD2 3.97Å; Y4-Y8 HydrophobicContact CD1-CD2 3.97Å; Y4-Y8 AromaticContact CD1-CE2 3.1Å; Y4-Y8 HydrophobicContact CD1-CE2 3.1Å; Y4-Y8 AromaticContact CD1-CZ 3.83Å; Y4-Y8 AromaticContact CD2-CE2 3.99Å; Y4-Y8 HydrophobicContact CD2-CE2 3.99Å; Y4-Y8 HydrophobicContact CE1-CD2 4.34Å; Y4-Y8 AromaticContact CE1-CE2 3.12Å; Y4-Y8 HydrophobicContact CE1-CE2 3.12Å; Y4-Y8 AromaticContact CE1-CZ 3.34Å; Y4-Y8 WeakPolarHBondContact CE1-OH 3.45Å; Y4-Y8 AromaticContact CE2-CE2 4Å; Y4-Y8 HydrophobicContact CE2-CE2 4Å; Y4-Y8 AromaticContact CE2-CZ 3.83Å; Y4-Y8 HydrophobicContact CG-CD2 4.11Å; Y4-Y8 AromaticContact CG-CE2 3.56Å; Y4-Y8 HydrophobicContact CG-CE2 3.56Å; Y4-Y8 AromaticContact CZ-CE2 3.59Å; Y4-Y8 AromaticContact CZ-CZ 3.35Å; Y4-Y8 WeakPolarHBondContact O-CB 3.14Å; Y4-Y8 WeakPolarHBondContact O-CD2 3.23Å; Y4-Y8 PolarHBondContact O-N 3.05Å; Y4-Y8 PolarHBondContact OH-OH 3.29Å; E5-Y8 WeakPolarHBondContact O-CB 3.35Å; E5-Y8 PolarHBondContact O-N 2.74Å; S6-Y8 VanDerWaalsContact C-N 3.29Å; S6-Y8 PolarHBondContact O-N 3.07Å; Y8-V10 PolarHBondContact O-N 2.57Å; Y8-V11 PolarHBondContact O-N 3.45Å; Y8-L12 VanDerWaalsContact O-CA 3.31Å; Y8-L12 WeakPolarHBondContact O-CA 3.38Å; Y8-L12 WeakPolarHBondContact O-CB 3Å; Y8-L12 PolarHBondContact O-N 2.81Å |
| 9 | F | 84.9 | Confident | 82.7 | Confident | 116 Ų | 116 | 105.3 Ų | 105.3 | 51% | 0.509 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -57.7 | -36.8 | 177.4 | -75.7 | -65.8 | 0 | 0 | 0 | 112.6 | E5 S6 V11 I13 | E5-F9 HydrophobicContact CB-CE2 4.41Å; E5-F9 HydrophobicContact CG-CE2 4.29Å; E5-F9 WeakPolarHBondContact O-CD2 3.47Å; E5-F9 PolarHBondContact O-N 3.35Å; S6-F9 PolarHBondContact O-N 2.84Å; F9-V11 VanDerWaalsContact C-N 3.31Å; F9-V11 PolarHBondContact O-N 3.46Å; F9-I13 HydrophobicContact CB-CD1 3.88Å; F9-I13 HydrophobicContact CB-CG1 4.4Å; F9-I13 HydrophobicContact CD1-CD1 3.85Å; F9-I13 HydrophobicContact CD1-CG1 4.05Å; F9-I13 HydrophobicContact CG-CD1 4.31Å; F9-I13 WeakPolarHBondContact O-CB 3.32Å; F9-I13 WeakPolarHBondContact O-CD1 3.26Å; F9-I13 WeakPolarHBondContact O-CG1 3.25Å; F9-I13 PolarHBondContact O-N 3.44Å |
| 10 | V | 85.8 | Confident | 83.3 | Confident | 105 Ų | 105 | 104.6 Ų | 104.6 | 64% | 0.636 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.6 | -28.3 | 178 | 176.9 | 0 | 0 | 0 | 0 | 113.2 | S6 T7 Y8 P14 | S6-V10 WeakPolarHBondContact O-CG2 3.18Å; S6-V10 PolarHBondContact O-N 3.38Å; T7-V10 PolarHBondContact O-N 3.17Å; Y8-V10 PolarHBondContact O-N 2.57Å; V10-P14 WeakPolarHBondContact O-CD 3.36Å; V10-P14 WeakPolarHBondContact O-CG 3.25Å |
| 11 | V | 89.5 | Confident | 83.8 | Confident | 94 Ų | 94 | 103.4 Ų | 103.4 | 57% | 0.57 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -102.8 | -40.9 | -179.7 | -179.7 | 0 | 0 | 0 | 0 | 112.2 | T7 Y8 F9 P14 S15 | T7-V11 PolarHBondContact O-N 3.45Å; Y8-V11 PolarHBondContact O-N 3.45Å; F9-V11 VanDerWaalsContact C-N 3.31Å; F9-V11 PolarHBondContact O-N 3.46Å; V11-P14 WeakPolarHBondContact O-CD 3.3Å; V11-S15 WeakPolarHBondContact O-CB 2.87Å; V11-S15 PolarHBondContact O-N 3.45Å |
| 12 | L | 92.1 | Very high | 85.6 | Confident | 92 Ų | 92 | 99.2 Ų | 99.2 | 48% | 0.482 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67 | -43.9 | -179.3 | -169.7 | 65.7 | 0 | 0 | 0 | 111.2 | Y8 S15 V16 | Y8-L12 VanDerWaalsContact O-CA 3.31Å; Y8-L12 WeakPolarHBondContact O-CA 3.38Å; Y8-L12 WeakPolarHBondContact O-CB 3Å; Y8-L12 PolarHBondContact O-N 2.81Å; L12-S15 PolarHBondContact O-N 3.37Å; L12-V16 HydrophobicContact CD1-CG2 4.27Å; L12-V16 HydrophobicContact CG-CG2 4.33Å; L12-V16 WeakPolarHBondContact O-CB 3.27Å; L12-V16 VanDerWaalsContact O-CG2 3.22Å; L12-V16 WeakPolarHBondContact O-CG2 3.41Å; L12-V16 PolarHBondContact O-N 3.47Å |
| 13 | I | 91.1 | Very high | 86.9 | Confident | 96 Ų | 96 | 97.1 Ų | 97.1 | 49% | 0.492 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.8 | -52.8 | 178.9 | -62.4 | 168 | 0 | 0 | 0 | 110.2 | F9 S15 V16 V17 | F9-I13 HydrophobicContact CB-CD1 3.88Å; F9-I13 HydrophobicContact CB-CG1 4.4Å; F9-I13 HydrophobicContact CD1-CD1 3.85Å; F9-I13 HydrophobicContact CD1-CG1 4.05Å; F9-I13 HydrophobicContact CG-CD1 4.31Å; F9-I13 WeakPolarHBondContact O-CB 3.32Å; F9-I13 WeakPolarHBondContact O-CD1 3.26Å; F9-I13 WeakPolarHBondContact O-CG1 3.25Å; F9-I13 PolarHBondContact O-N 3.44Å; I13-S15 VanDerWaalsContact C-N 3.32Å; I13-S15 PolarHBondContact O-N 2.92Å; I13-V16 PolarHBondContact O-N 3.24Å; I13-V17 HydrophobicContact CG2-CG2 4.36Å; I13-V17 WeakPolarHBondContact O-CB 3.28Å; I13-V17 VanDerWaalsContact O-CG2 3.24Å; I13-V17 WeakPolarHBondContact O-CG2 3.14Å; I13-V17 PolarHBondContact O-N 2.81Å |
| 14 | P | 94.2 | Very high | 88.3 | Confident | 61 Ų | 61 | 96.2 Ų | 96.2 | 40% | 0.396 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60 | -40 | 175 | -26 | 36.7 | 0 | 0 | 0 | 113 | V10 V11 V16 V17 I18 | V10-P14 WeakPolarHBondContact O-CD 3.36Å; V10-P14 WeakPolarHBondContact O-CG 3.25Å; V11-P14 WeakPolarHBondContact O-CD 3.3Å; P14-V16 PolarHBondContact O-N 2.79Å; P14-V17 PolarHBondContact O-N 3.45Å; P14-I18 WeakPolarHBondContact O-CB 2.97Å; P14-I18 VanDerWaalsContact O-CD1 3.31Å; P14-I18 WeakPolarHBondContact O-CD1 2.94Å; P14-I18 WeakPolarHBondContact O-CG1 3.38Å; P14-I18 PolarHBondContact O-N 3.48Å |
| 15 | S | 94.5 | Very high | 89.5 | Confident | 60 Ų | 60 | 94.2 Ų | 94.2 | 42% | 0.42 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 178.2 | -174 | 0 | 0 | 0 | 0 | 112.1 | V11 L12 I13 I18 T19 | V11-S15 WeakPolarHBondContact O-CB 2.87Å; V11-S15 PolarHBondContact O-N 3.45Å; L12-S15 PolarHBondContact O-N 3.37Å; I13-S15 VanDerWaalsContact C-N 3.32Å; I13-S15 PolarHBondContact O-N 2.92Å; S15-I18 PolarHBondContact O-N 3.19Å; S15-T19 WeakPolarHBondContact O-CG2 3.46Å; S15-T19 PolarHBondContact O-N 2.95Å; S15-T19 PolarHBondContact O-OG1 3.3Å |
| 16 | V | 95.3 | Very high | 90.3 | Very high | 73 Ų | 73 | 97.8 Ų | 97.8 | 44% | 0.442 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67 | -40.5 | 178.1 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | L12 I13 P14 I18 T19 V20 | L12-V16 HydrophobicContact CD1-CG2 4.27Å; L12-V16 HydrophobicContact CG-CG2 4.33Å; L12-V16 WeakPolarHBondContact O-CB 3.27Å; L12-V16 VanDerWaalsContact O-CG2 3.22Å; L12-V16 WeakPolarHBondContact O-CG2 3.41Å; L12-V16 PolarHBondContact O-N 3.47Å; I13-V16 PolarHBondContact O-N 3.24Å; P14-V16 PolarHBondContact O-N 2.79Å; V16-I18 VanDerWaalsContact C-N 3.31Å; V16-I18 PolarHBondContact O-N 3.38Å; V16-T19 WeakPolarHBondContact CA-OG1 3.28Å; V16-T19 PolarHBondContact O-N 3.32Å; V16-T19 PolarHBondContact O-OG1 2.87Å; V16-V20 HydrophobicContact CG1-CG2 4.42Å; V16-V20 VanDerWaalsContact O-CG2 3.31Å; V16-V20 WeakPolarHBondContact O-CG2 2.84Å; V16-V20 PolarHBondContact O-N 3.36Å |
| 17 | V | 96.3 | Very high | 90.8 | Very high | 75 Ų | 75 | 98.8 Ų | 98.8 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 174.6 | 170 | 0 | 0 | 0 | 0 | 110.4 | I13 P14 T19 V20 I21 | I13-V17 HydrophobicContact CG2-CG2 4.36Å; I13-V17 WeakPolarHBondContact O-CB 3.28Å; I13-V17 VanDerWaalsContact O-CG2 3.24Å; I13-V17 WeakPolarHBondContact O-CG2 3.14Å; I13-V17 PolarHBondContact O-N 2.81Å; P14-V17 PolarHBondContact O-N 3.45Å; V17-T19 PolarHBondContact O-N 2.93Å; V17-V20 PolarHBondContact O-N 3.32Å; V17-I21 HydrophobicContact CG1-CD1 3.6Å; V17-I21 HydrophobicContact CG1-CG1 4.38Å; V17-I21 WeakPolarHBondContact O-CB 3.27Å; V17-I21 WeakPolarHBondContact O-CG1 2.99Å; V17-I21 PolarHBondContact O-N 2.72Å |
| 18 | I | 95.4 | Very high | 90.7 | Very high | 88 Ų | 88 | 99.1 Ų | 99.1 | 45% | 0.451 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62 | -43.5 | 177.2 | -70.2 | 162.2 | 0 | 0 | 0 | 110.8 | P14 S15 V16 I21 F22 | P14-I18 WeakPolarHBondContact O-CB 2.97Å; P14-I18 VanDerWaalsContact O-CD1 3.31Å; P14-I18 WeakPolarHBondContact O-CD1 2.94Å; P14-I18 WeakPolarHBondContact O-CG1 3.38Å; P14-I18 PolarHBondContact O-N 3.48Å; S15-I18 PolarHBondContact O-N 3.19Å; V16-I18 VanDerWaalsContact C-N 3.31Å; V16-I18 PolarHBondContact O-N 3.38Å; I18-I21 PolarHBondContact O-N 2.82Å; I18-F22 HydrophobicContact CG2-CD2 3.46Å; I18-F22 VanDerWaalsContact CG2-CD2 3.46Å; I18-F22 HydrophobicContact CG2-CE2 3.59Å; I18-F22 WeakPolarHBondContact O-CB 3.01Å; I18-F22 WeakPolarHBondContact O-CD2 3.03Å; I18-F22 PolarHBondContact O-N 2.82Å |
| 19 | T | 95.5 | Very high | 90.4 | Very high | 78 Ų | 78 | 100 Ų | 100 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.8 | -39.5 | 178.2 | 57.2 | 0 | 0 | 0 | 0 | 112.4 | S15 V16 V17 F22 L23 | S15-T19 WeakPolarHBondContact O-CG2 3.46Å; S15-T19 PolarHBondContact O-N 2.95Å; S15-T19 PolarHBondContact O-OG1 3.3Å; V16-T19 WeakPolarHBondContact CA-OG1 3.28Å; V16-T19 PolarHBondContact O-N 3.32Å; V16-T19 PolarHBondContact O-OG1 2.87Å; V17-T19 PolarHBondContact O-N 2.93Å; T19-F22 PolarHBondContact O-N 3.44Å; T19-L23 WeakPolarHBondContact O-CB 3.42Å; T19-L23 PolarHBondContact O-N 2.57Å |
| 20 | V | 94.6 | Very high | 89.9 | Confident | 90 Ų | 90 | 100.1 Ų | 100.1 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 174.9 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | V16 V17 L23 F24 | V16-V20 HydrophobicContact CG1-CG2 4.42Å; V16-V20 VanDerWaalsContact O-CG2 3.31Å; V16-V20 WeakPolarHBondContact O-CG2 2.84Å; V16-V20 PolarHBondContact O-N 3.36Å; V17-V20 PolarHBondContact O-N 3.32Å; V20-L23 PolarHBondContact O-N 3.45Å; V20-F24 WeakPolarHBondContact O-CB 3.4Å; V20-F24 PolarHBondContact O-N 2.68Å |
| 21 | I | 93.3 | Very high | 89 | Confident | 80 Ų | 80 | 100.5 Ų | 100.5 | 41% | 0.41 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.9 | -45.1 | 176.4 | -69.9 | 169.6 | 0 | 0 | 0 | 110.9 | V17 I18 F24 F25 | V17-I21 HydrophobicContact CG1-CD1 3.6Å; V17-I21 HydrophobicContact CG1-CG1 4.38Å; V17-I21 WeakPolarHBondContact O-CB 3.27Å; V17-I21 WeakPolarHBondContact O-CG1 2.99Å; V17-I21 PolarHBondContact O-N 2.72Å; I18-I21 PolarHBondContact O-N 2.82Å; I21-F24 PolarHBondContact O-N 3.46Å; I21-F25 HydrophobicContact CG2-CD2 3.37Å; I21-F25 HydrophobicContact CG2-CE2 3.28Å; I21-F25 WeakPolarHBondContact O-CB 3.03Å; I21-F25 WeakPolarHBondContact O-CD2 3.02Å; I21-F25 PolarHBondContact O-N 2.81Å |
| 22 | F | 91.8 | Very high | 87.9 | Confident | 139 Ų | 139 | 98.7 Ų | 98.7 | 61% | 0.61 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.4 | -37.6 | 175.9 | -93.6 | -69.5 | 0 | 0 | 0 | 112.3 | I18 T19 F25 W26 | I18-F22 HydrophobicContact CG2-CD2 3.46Å; I18-F22 VanDerWaalsContact CG2-CD2 3.46Å; I18-F22 HydrophobicContact CG2-CE2 3.59Å; I18-F22 WeakPolarHBondContact O-CB 3.01Å; I18-F22 WeakPolarHBondContact O-CD2 3.03Å; I18-F22 PolarHBondContact O-N 2.82Å; T19-F22 PolarHBondContact O-N 3.44Å; F22-F25 PolarHBondContact O-N 3.03Å; F22-W26 WeakPolarHBondContact O-CA 3.49Å; F22-W26 WeakPolarHBondContact O-CB 3.32Å; F22-W26 PolarHBondContact O-N 3.38Å |
| 23 | L | 91.9 | Very high | 86.3 | Confident | 122 Ų | 122 | 98.9 Ų | 98.9 | 64% | 0.639 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -70.5 | -40.4 | 177.4 | -166.6 | 66.2 | 0 | 0 | 0 | 110.3 | T19 V20 W26 L27 | T19-L23 WeakPolarHBondContact O-CB 3.42Å; T19-L23 PolarHBondContact O-N 2.57Å; V20-L23 PolarHBondContact O-N 3.45Å; L23-W26 PolarHBondContact O-N 3.01Å; L23-L27 WeakPolarHBondContact O-CB 3.14Å; L23-L27 PolarHBondContact O-N 2.79Å |
| 24 | F | 88.3 | Confident | 84.7 | Confident | 128 Ų | 128 | 101.3 Ų | 101.3 | 56% | 0.561 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62 | -46.7 | 172.1 | -170 | -96.9 | 0 | 0 | 0 | 110.4 | V20 I21 F28 | V20-F24 WeakPolarHBondContact O-CB 3.4Å; V20-F24 PolarHBondContact O-N 2.68Å; I21-F24 PolarHBondContact O-N 3.46Å; F24-F28 HydrophobicContact CD1-CB 4.34Å; F24-F28 HydrophobicContact CE1-CB 4.29Å; F24-F28 AromaticContact CE1-CD2 3.98Å; F24-F28 HydrophobicContact CE1-CD2 3.98Å; F24-F28 HydrophobicContact CE1-CG 4.22Å; F24-F28 HydrophobicContact CZ-CD2 4.03Å; F24-F28 WeakPolarHBondContact O-CA 3.41Å; F24-F28 WeakPolarHBondContact O-CB 2.85Å; F24-F28 PolarHBondContact O-N 3.39Å |
| 25 | F | 88.5 | Confident | 83 | Confident | 112 Ų | 112 | 103.8 Ų | 103.8 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -72.1 | -34.5 | 177.2 | -77.1 | -57.5 | 0 | 0 | 0 | 113.3 | I21 F22 M29 | I21-F25 HydrophobicContact CG2-CD2 3.37Å; I21-F25 HydrophobicContact CG2-CE2 3.28Å; I21-F25 WeakPolarHBondContact O-CB 3.03Å; I21-F25 WeakPolarHBondContact O-CD2 3.02Å; I21-F25 PolarHBondContact O-N 2.81Å; F22-F25 PolarHBondContact O-N 3.03Å; F25-M29 WeakPolarHBondContact O-CA 3.11Å; F25-M29 WeakPolarHBondContact O-CB 3.24Å; F25-M29 WeakPolarHBondContact O-CG 3.46Å; F25-M29 PolarHBondContact O-N 2.61Å |
| 26 | W | 88.6 | Confident | 81.4 | Confident | 186 Ų | 186 | 106.3 Ų | 106.3 | 71% | 0.705 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.5 | -49.4 | 174.9 | -176.1 | -54.2 | 0 | 0 | 0 | 109.5 | F22 L23 K30 | F22-W26 WeakPolarHBondContact O-CA 3.49Å; F22-W26 WeakPolarHBondContact O-CB 3.32Å; F22-W26 PolarHBondContact O-N 3.38Å; L23-W26 PolarHBondContact O-N 3.01Å; W26-K30 WeakPolarHBondContact O-CB 3.48Å; W26-K30 PolarHBondContact O-N 2.76Å |
| 27 | L | 86.6 | Confident | 79.7 | Confident | 93 Ų | 93 | 106.9 Ų | 106.9 | 49% | 0.487 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.6 | -53.4 | 177.2 | -164.5 | 72.9 | 0 | 0 | 0 | 109.2 | L23 M29 K30 E31 | L23-L27 WeakPolarHBondContact O-CB 3.14Å; L23-L27 PolarHBondContact O-N 2.79Å; L27-M29 PolarHBondContact O-N 3.48Å; L27-K30 CarbonylContact O-C 3.34Å; L27-K30 WeakPolarHBondContact O-CA 3.4Å; L27-K30 PolarHBondContact O-N 3.2Å; L27-E31 WeakPolarHBondContact CD1-OE2 3.18Å; L27-E31 WeakPolarHBondContact CG-OE2 3.37Å; L27-E31 WeakPolarHBondContact O-CA 3.1Å; L27-E31 VanDerWaalsContact O-CB 3.24Å; L27-E31 WeakPolarHBondContact O-CB 3.34Å; L27-E31 PolarHBondContact O-N 2.92Å |
| 28 | F | 80.1 | Confident | 77.9 | Confident | 95 Ų | 95 | 108.3 Ų | 108.3 | 42% | 0.417 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.4 | -45.5 | 178.8 | -170.7 | -91.9 | 0 | 0 | 0 | 112.5 | F24 K30 E31 T32 | F24-F28 HydrophobicContact CD1-CB 4.34Å; F24-F28 HydrophobicContact CE1-CB 4.29Å; F24-F28 AromaticContact CE1-CD2 3.98Å; F24-F28 HydrophobicContact CE1-CD2 3.98Å; F24-F28 HydrophobicContact CE1-CG 4.22Å; F24-F28 HydrophobicContact CZ-CD2 4.03Å; F24-F28 WeakPolarHBondContact O-CA 3.41Å; F24-F28 WeakPolarHBondContact O-CB 2.85Å; F24-F28 PolarHBondContact O-N 3.39Å; F28-K30 PolarHBondContact O-N 3.44Å; F28-E31 PolarHBondContact O-N 2.66Å; F28-T32 HydrophobicContact CD1-CG2 4.13Å; F28-T32 HydrophobicContact CD2-CG2 3.36Å; F28-T32 HydrophobicContact CE1-CG2 4.13Å; F28-T32 HydrophobicContact CE2-CG2 3.38Å; F28-T32 HydrophobicContact CG-CG2 3.75Å; F28-T32 HydrophobicContact CZ-CG2 3.76Å; F28-T32 WeakPolarHBondContact O-CA 3.21Å; F28-T32 VanDerWaalsContact O-CB 3.28Å; F28-T32 WeakPolarHBondContact O-CB 3.34Å; F28-T32 PolarHBondContact O-N 3.34Å; F28-T32 PolarHBondContact O-OG1 3.47Å |
| 29 | M | 80.3 | Confident | 76.1 | Confident | 118 Ų | 118 | 106.6 Ų | 106.6 | 58% | 0.581 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.5 | -20.9 | 173.6 | -67.5 | -72.8 | -72.2 | 0 | 0 | 112.9 | F25 L27 L33 | F25-M29 WeakPolarHBondContact O-CA 3.11Å; F25-M29 WeakPolarHBondContact O-CB 3.24Å; F25-M29 WeakPolarHBondContact O-CG 3.46Å; F25-M29 PolarHBondContact O-N 2.61Å; L27-M29 PolarHBondContact O-N 3.48Å; M29-L33 WeakPolarHBondContact O-CB 3.46Å |
| 30 | K | 74.9 | Confident | 74.3 | Confident | 118 Ų | 118 | 108.1 Ų | 108.1 | 51% | 0.513 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -97.6 | -23.6 | 176.1 | -168.5 | -172.1 | 170.8 | -167.5 | 0 | 113.1 | W26 L27 F28 Y34 | W26-K30 WeakPolarHBondContact O-CB 3.48Å; W26-K30 PolarHBondContact O-N 2.76Å; L27-K30 CarbonylContact O-C 3.34Å; L27-K30 WeakPolarHBondContact O-CA 3.4Å; L27-K30 PolarHBondContact O-N 3.2Å; F28-K30 PolarHBondContact O-N 3.44Å; K30-Y34 HydrophobicContact CG-CE2 4.38Å; K30-Y34 WeakPolarHBondContact O-CB 3.18Å; K30-Y34 WeakPolarHBondContact O-CD2 3.31Å |
| 31 | E | 67.1 | Low | 72.7 | Confident | 112 Ų | 112 | 109.1 Ų | 109.1 | 52% | 0.523 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -100.3 | -47.3 | -175.7 | -128.8 | 92.6 | 177.3 | 0 | 0 | 109.6 | L27 F28 Y34 D35 | L27-E31 WeakPolarHBondContact CD1-OE2 3.18Å; L27-E31 WeakPolarHBondContact CG-OE2 3.37Å; L27-E31 WeakPolarHBondContact O-CA 3.1Å; L27-E31 VanDerWaalsContact O-CB 3.24Å; L27-E31 WeakPolarHBondContact O-CB 3.34Å; L27-E31 PolarHBondContact O-N 2.92Å; F28-E31 PolarHBondContact O-N 2.66Å; E31-Y34 PolarHBondContact O-N 3.4Å; E31-D35 PolarHBondContact O-N 3.33Å |
| 32 | T | 64.7 | Low | 71 | Confident | 56 Ų | 56 | 112.2 Ų | 112.2 | 34% | 0.344 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -75.8 | -32.4 | 178.5 | 69.6 | 0 | 0 | 0 | 0 | 113.1 | F28 Y34 D35 E36 | F28-T32 HydrophobicContact CD1-CG2 4.13Å; F28-T32 HydrophobicContact CD2-CG2 3.36Å; F28-T32 HydrophobicContact CE1-CG2 4.13Å; F28-T32 HydrophobicContact CE2-CG2 3.38Å; F28-T32 HydrophobicContact CG-CG2 3.75Å; F28-T32 HydrophobicContact CZ-CG2 3.76Å; F28-T32 WeakPolarHBondContact O-CA 3.21Å; F28-T32 VanDerWaalsContact O-CB 3.28Å; F28-T32 WeakPolarHBondContact O-CB 3.34Å; F28-T32 PolarHBondContact O-N 3.34Å; F28-T32 PolarHBondContact O-OG1 3.47Å; T32-Y34 PolarHBondContact O-N 3.38Å; T32-D35 PolarHBondContact O-N 3.5Å; T32-E36 PolarHBondContact O-N 2.78Å |
| 33 | L | 60.4 | Low | 69.1 | Low | 97 Ų | 97 | 114.7 Ų | 114.7 | 51% | 0.508 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.3 | -34.7 | 170.8 | -167.7 | 74.6 | 0 | 0 | 0 | 110.6 | M29 V37 | M29-L33 WeakPolarHBondContact O-CB 3.46Å; L33-V37 VanDerWaalsContact O-CG2 3.26Å; L33-V37 WeakPolarHBondContact O-CG2 3.11Å; L33-V37 PolarHBondContact O-N 2.84Å |
| 34 | Y | 56.6 | Low | 67.2 | Low | 146 Ų | 146 | 114.1 Ų | 114.1 | 57% | 0.573 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -75.8 | -35.8 | 176 | -90.3 | -103.8 | 0 | 0 | 0 | 112.2 | K30 E31 T32 V37 L38 | K30-Y34 HydrophobicContact CG-CE2 4.38Å; K30-Y34 WeakPolarHBondContact O-CB 3.18Å; K30-Y34 WeakPolarHBondContact O-CD2 3.31Å; E31-Y34 PolarHBondContact O-N 3.4Å; T32-Y34 PolarHBondContact O-N 3.38Å; Y34-V37 PolarHBondContact O-N 3.37Å; Y34-L38 HydrophobicContact CD1-CD1 4.3Å; Y34-L38 VanDerWaalsContact O-CB 3.27Å; Y34-L38 WeakPolarHBondContact O-CB 3.19Å; Y34-L38 PolarHBondContact O-N 3.49Å |
| 35 | D | 59.2 | Low | 65.6 | Low | 114 Ų | 114 | 113.4 Ų | 113.4 | 61% | 0.61 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.5 | -38.1 | 177.9 | -161.5 | 27.2 | 0 | 0 | 0 | 111.9 | E31 T32 V37 A39 | E31-D35 PolarHBondContact O-N 3.33Å; T32-D35 PolarHBondContact O-N 3.5Å; D35-V37 PolarHBondContact O-N 2.93Å; D35-A39 WeakPolarHBondContact O-CA 3.31Å; D35-A39 WeakPolarHBondContact O-CB 3.42Å; D35-A39 PolarHBondContact O-N 3.36Å |
| 36 | E | 60.6 | Low | 63.8 | Low | 113 Ų | 113 | 114.8 Ų | 114.8 | 53% | 0.528 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65 | -40.6 | 174.5 | -159.6 | -167.7 | 157.4 | 0 | 0 | 111.7 | T32 K40 | T32-E36 PolarHBondContact O-N 2.78Å; E36-K40 VanDerWaalsContact O-CB 3.27Å; E36-K40 WeakPolarHBondContact O-CB 3.22Å; E36-K40 WeakPolarHBondContact O-CG 3.41Å; E36-K40 PolarHBondContact O-N 3.35Å; E36-K40 WeakPolarHBondContact OE1-CE 3.36Å; E36-K40 IonicContact OE1-NZ 3.17Å; E36-K40 PolarHBondContact OE1-NZ 2.8Å; E36-K40 VanDerWaalsContact OE1-NZ 3.17Å |
| 37 | V | 59.9 | Low | 62 | Low | 85 Ų | 85 | 111.2 Ų | 111.2 | 52% | 0.515 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -76.1 | -39 | -179.7 | 179.2 | 0 | 0 | 0 | 0 | 111.9 | L33 Y34 D35 Q41 | L33-V37 VanDerWaalsContact O-CG2 3.26Å; L33-V37 WeakPolarHBondContact O-CG2 3.11Å; L33-V37 PolarHBondContact O-N 2.84Å; Y34-V37 PolarHBondContact O-N 3.37Å; D35-V37 PolarHBondContact O-N 2.93Å; V37-Q41 WeakPolarHBondContact O-CB 3.18Å; V37-Q41 PolarHBondContact O-N 3.4Å |
| 38 | L | 57.9 | Low | 60.3 | Low | 104 Ų | 104 | 111.9 Ų | 111.9 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68 | -40.7 | 173.1 | -103.5 | 71 | 0 | 0 | 0 | 111.6 | Y34 Q41 K42 | Y34-L38 HydrophobicContact CD1-CD1 4.3Å; Y34-L38 VanDerWaalsContact O-CB 3.27Å; Y34-L38 WeakPolarHBondContact O-CB 3.19Å; Y34-L38 PolarHBondContact O-N 3.49Å; L38-Q41 PolarHBondContact O-N 3.13Å; L38-K42 VanDerWaalsContact O-CB 3.3Å; L38-K42 WeakPolarHBondContact O-CB 3.17Å; L38-K42 PolarHBondContact O-N 3.29Å |
| 39 | A | 58.4 | Low | 58.8 | Low | 52 Ų | 52 | 111.1 Ų | 111.1 | 43% | 0.43 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.3 | -40.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | D35 K42 R43 | D35-A39 WeakPolarHBondContact O-CA 3.31Å; D35-A39 WeakPolarHBondContact O-CB 3.42Å; D35-A39 PolarHBondContact O-N 3.36Å; A39-K42 PolarHBondContact O-N 3.21Å; A39-R43 VanDerWaalsContact O-CB 3.28Å; A39-R43 WeakPolarHBondContact O-CB 3.14Å; A39-R43 PolarHBondContact O-N 3.45Å |
| 40 | K | 57.5 | Low | 57.2 | Low | 110 Ų | 110 | 111 Ų | 111 | 48% | 0.478 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.7 | -42.2 | 171.6 | -78.9 | -168.9 | -177.7 | 174.5 | 0 | 111.8 | E36 K42 R43 E44 | E36-K40 VanDerWaalsContact O-CB 3.27Å; E36-K40 WeakPolarHBondContact O-CB 3.22Å; E36-K40 WeakPolarHBondContact O-CG 3.41Å; E36-K40 PolarHBondContact O-N 3.35Å; E36-K40 WeakPolarHBondContact OE1-CE 3.36Å; E36-K40 IonicContact OE1-NZ 3.17Å; E36-K40 PolarHBondContact OE1-NZ 2.8Å; E36-K40 VanDerWaalsContact OE1-NZ 3.17Å; K40-K42 PolarHBondContact O-N 2.64Å; K40-R43 PolarHBondContact O-N 2.91Å; K40-E44 VanDerWaalsContact O-CB 3.25Å; K40-E44 WeakPolarHBondContact O-CB 3.39Å; K40-E44 VanDerWaalsContact O-CG 3.32Å; K40-E44 WeakPolarHBondContact O-CG 3.31Å; K40-E44 PolarHBondContact O-N 3.37Å |
| 41 | Q | 59.8 | Low | 56.1 | Low | 111 Ų | 111 | 114 Ų | 114 | 52% | 0.519 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.5 | -43.2 | 174.9 | -172.2 | -173.1 | -38.5 | 0 | 0 | 111 | V37 L38 R43 Q45 | V37-Q41 WeakPolarHBondContact O-CB 3.18Å; V37-Q41 PolarHBondContact O-N 3.4Å; L38-Q41 PolarHBondContact O-N 3.13Å; Q41-R43 VanDerWaalsContact C-N 3.29Å; Q41-R43 PolarHBondContact O-N 3.31Å; Q41-Q45 WeakPolarHBondContact O-CA 2.95Å; Q41-Q45 WeakPolarHBondContact O-CB 2.96Å; Q41-Q45 PolarHBondContact O-N 2.94Å |
| 42 | K | 57.1 | Low | 55.3 | Low | 145 Ų | 145 | 114.3 Ų | 114.3 | 63% | 0.63 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.5 | -28.5 | 177.1 | -162.7 | -177.5 | -177.4 | -167.7 | 0 | 112.4 | L38 A39 K40 K46 | L38-K42 VanDerWaalsContact O-CB 3.3Å; L38-K42 WeakPolarHBondContact O-CB 3.17Å; L38-K42 PolarHBondContact O-N 3.29Å; A39-K42 PolarHBondContact O-N 3.21Å; K40-K42 PolarHBondContact O-N 2.64Å; K42-K46 VanDerWaalsContact O-CB 3.25Å; K42-K46 WeakPolarHBondContact O-CB 3.24Å; K42-K46 WeakPolarHBondContact O-CG 3.46Å; K42-K46 PolarHBondContact O-N 2.95Å |
| 43 | R | 53.8 | Low | 54.5 | Low | 192 Ų | 192 | 118.3 Ų | 118.3 | 73% | 0.725 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -81.5 | -40.9 | 176.9 | -159.8 | -178.9 | -161.7 | 96.4 | -0.6 | 112.4 | A39 K40 Q41 L47 | A39-R43 VanDerWaalsContact O-CB 3.28Å; A39-R43 WeakPolarHBondContact O-CB 3.14Å; A39-R43 PolarHBondContact O-N 3.45Å; K40-R43 PolarHBondContact O-N 2.91Å; Q41-R43 VanDerWaalsContact C-N 3.29Å; Q41-R43 PolarHBondContact O-N 3.31Å; R43-L47 PolarHBondContact O-N 2.88Å |
| 44 | E | 51.3 | Low | 54.2 | Low | 109 Ų | 109 | 123.1 Ų | 123.1 | 51% | 0.509 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -80.7 | -36.7 | 180 | -65 | -163 | -161.3 | 0 | 0 | 112.1 | K40 K46 L47 I48 | K40-E44 VanDerWaalsContact O-CB 3.25Å; K40-E44 WeakPolarHBondContact O-CB 3.39Å; K40-E44 VanDerWaalsContact O-CG 3.32Å; K40-E44 WeakPolarHBondContact O-CG 3.31Å; K40-E44 PolarHBondContact O-N 3.37Å; E44-K46 VanDerWaalsContact C-N 3.29Å; E44-K46 PolarHBondContact O-N 3.06Å; E44-L47 CarbonylContact O-C 3.54Å; E44-L47 PolarHBondContact O-N 3.33Å; E44-I48 WeakPolarHBondContact O-CB 3.5Å; E44-I48 VanDerWaalsContact O-CG1 3.23Å; E44-I48 WeakPolarHBondContact O-CG1 2.88Å; E44-I48 PolarHBondContact O-N 2.84Å |
| 45 | Q | 53.3 | Low | 54.2 | Low | 113 Ų | 113 | 126 Ų | 126 | 53% | 0.528 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -65.5 | -33.3 | 168.8 | -169.4 | 175.5 | 12.4 | 0 | 0 | 111.2 | Q41 S49 | Q41-Q45 WeakPolarHBondContact O-CA 2.95Å; Q41-Q45 WeakPolarHBondContact O-CB 2.96Å; Q41-Q45 PolarHBondContact O-N 2.94Å; Q45-S49 WeakPolarHBondContact O-CB 3.49Å; Q45-S49 PolarHBondContact O-N 2.86Å |
| 46 | K | 51.7 | Low | 53.9 | Low | 141 Ų | 141 | 130.6 Ų | 130.6 | 61% | 0.613 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.7 | -36.7 | 168.1 | -83.2 | -172.6 | -179.4 | -152.1 | 0 | 111.9 | K42 E44 T50 | K42-K46 VanDerWaalsContact O-CB 3.25Å; K42-K46 WeakPolarHBondContact O-CB 3.24Å; K42-K46 WeakPolarHBondContact O-CG 3.46Å; K42-K46 PolarHBondContact O-N 2.95Å; E44-K46 VanDerWaalsContact C-N 3.29Å; E44-K46 PolarHBondContact O-N 3.06Å; K46-T50 PolarHBondContact O-N 3.34Å; K46-T50 PolarHBondContact O-OG1 3.32Å |
| 47 | L | 51.2 | Low | 53.6 | Low | 112 Ų | 112 | 130 Ų | 130 | 59% | 0.586 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -73.7 | -32.9 | 176.1 | -85.2 | 161.4 | 0 | 0 | 0 | 113.7 | R43 E44 | R43-L47 PolarHBondContact O-N 2.88Å; E44-L47 CarbonylContact O-C 3.54Å; E44-L47 PolarHBondContact O-N 3.33Å |
| 48 | I | 51.4 | Low | 53.3 | Low | 106 Ų | 106 | 135.6 Ų | 135.6 | 54% | 0.544 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -82.9 | -44 | -179.5 | -61.9 | 163 | 0 | 0 | 0 | 111.1 | E44 T50 K51 T52 | E44-I48 WeakPolarHBondContact O-CB 3.5Å; E44-I48 VanDerWaalsContact O-CG1 3.23Å; E44-I48 WeakPolarHBondContact O-CG1 2.88Å; E44-I48 PolarHBondContact O-N 2.84Å; I48-T50 PolarHBondContact O-N 2.71Å; I48-K51 PolarHBondContact O-N 2.94Å; I48-T52 PolarHBondContact O-N 3.44Å; I48-T52 PolarHBondContact O-OG1 3.29Å |
| 49 | S | 48.1 | Very low | 53.3 | Low | 80 Ų | 80 | 139.5 Ų | 139.5 | 56% | 0.559 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -59.9 | -30.7 | 176.7 | -178.8 | 0 | 0 | 0 | 0 | 112.4 | Q45 K51 | Q45-S49 WeakPolarHBondContact O-CB 3.49Å; Q45-S49 PolarHBondContact O-N 2.86Å; S49-K51 VanDerWaalsContact C-N 3.28Å; S49-K51 PolarHBondContact O-N 3.35Å |
| 50 | T | 46.1 | Very low | 53.3 | Low | 115 Ų | 115 | 146.2 Ų | 146.2 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -11.3 | 176.4 | -40 | 0 | 0 | 0 | 0 | 113.5 | K46 I48 | K46-T50 PolarHBondContact O-N 3.34Å; K46-T50 PolarHBondContact O-OG1 3.32Å; I48-T50 PolarHBondContact O-N 2.71Å |
| 51 | K | 51.5 | Low | 53.2 | Low | 182 Ų | 182 | 150.5 Ų | 150.5 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | -14.3 | 179.2 | -72.6 | -167.7 | 177 | -177.7 | 0 | 114.9 | I48 S49 | I48-K51 PolarHBondContact O-N 2.94Å; S49-K51 VanDerWaalsContact C-N 3.28Å; S49-K51 PolarHBondContact O-N 3.35Å |
| 52 | T | 50.5 | Low | 52.7 | Low | 117 Ų | 117 | 152.2 Ų | 152.2 | 72% | 0.718 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -112.1 | 23.8 | -178.2 | 32.8 | 0 | 0 | 0 | 0 | 115.6 | I48 | I48-T52 PolarHBondContact O-N 3.44Å; I48-T52 PolarHBondContact O-OG1 3.29Å |
| 53 | D | 48 | Very low | 52.4 | Low | 141 Ų | 141 | 155.5 Ų | 155.5 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -130.4 | 57.8 | 170.5 | -156.8 | -34.4 | 0 | 0 | 0 | 112.7 | ||
| 54 | K | 54.9 | Low | 52 | Low | 197 Ų | 197 | 154.4 Ų | 154.4 | 86% | 0.857 | 75% | 0.749 | S | S | * | * | trans | -143.9 | 37.5 | 168.2 | -71.6 | -163.8 | 179.2 | 179.1 | 0 | 113.4 | ||||
| 55 | K | 55.6 | Low | 51.7 | Low | 206 Ų | 206 | 156.8 Ų | 156.8 | 90% | 0.896 | 76% | 0.758 | S | S | * | * | trans | -147.8 | 62.3 | 170.7 | -120.9 | -168 | -173.5 | -173.7 | 0 | 114.3 | ||||
| 56 | K | 53.5 | Low | 51.4 | Low | 211 Ų | 211 | 160.8 Ų | 160.8 | 92% | 0.917 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -155.4 | 129 | 142.2 | -111.6 | -179 | -177.1 | -175.3 | 0 | 110.1 | ||
| 57 | A | 55.1 | Low | 51.4 | Low | 100 Ų | 100 | 159.6 Ų | 159.6 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | trans | 83.4 | 56.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | K59 | A57-K59 PolarHBondContact O-N 3.35Š| ||
| 58 | E | 52.7 | Low | 51 | Low | 204 Ų | 204 | 161.9 Ų | 161.9 | 95% | 0.953 | 78% | 0.783 | S | S | * | * | trans | -82.5 | 87.4 | 143.7 | -170.4 | -161.7 | 153.9 | 0 | 0 | 108.3 | ||||
| 59 | K | 57.8 | Low | 50.6 | Low | 186 Ų | 186 | 164.5 Ų | 164.5 | 81% | 0.809 | 80% | 0.798 | S | S | * | * | trans | -150.7 | 118.2 | 159.1 | -154.2 | 175 | -175.3 | 176.3 | 0 | 110.1 | A57 | A57-K59 PolarHBondContact O-N 3.35Š| ||
| 60 | K | 57.7 | Low | 50.4 | Low | 193 Ų | 193 | 164.4 Ų | 164.4 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | trans | 81.4 | 114.6 | 165.4 | -79.8 | -179.8 | 168.6 | -178.6 | 0 | 118.8 | ||||
| 61 | K | 55.8 | Low | 50.4 | Low | 199 Ų | 199 | 165.6 Ų | 165.6 | 87% | 0.865 | 82% | 0.817 | S | S | * | * | trans | 76.4 | 97.3 | 130.2 | -163.8 | -172.6 | -174.5 | -173 | 0 | 116.7 | ||||
| 62 | N | 49.8 | Very low | 50.2 | Low | 148 Ų | 148 | 164.5 Ų | 164.5 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | -166.5 | 140.4 | 108.7 | 58.1 | 51 | 0 | 0 | 0 | 112.7 | |||||
| 63 | K | 49.9 | Very low | 49.9 | Very low | 214 Ų | 214 | 168.3 Ų | 168.3 | 93% | 0.93 | 82% | 0.82 | S | S | * | * | trans | -103 | 103.1 | 163.3 | 168.1 | -178.4 | 178.9 | 176.2 | 0 | 104.6 | ||||
| 64 | K | 47.1 | Very low | 49.8 | Very low | 169 Ų | 169 | 170.8 Ų | 170.8 | 74% | 0.735 | 83% | 0.827 | S | S | * | * | trans | -163.4 | 110.4 | 162.3 | -157.4 | 170.6 | 177.7 | -175.5 | 0 | 112.5 | ||||
| 65 | K | 45 | Very low | 49.3 | Very low | 159 Ų | 159 | 165.1 Ų | 165.1 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | trans | 66.9 | 91.2 | 145.7 | -67.1 | -175.5 | 175.1 | -160 | 0 | 118 | I67 | K65-I67 HydrophobicContact CB-CD1 4.49Å; K65-I67 HydrophobicContact CB-CG1 4.28Å; K65-I67 HydrophobicContact CD-CD1 4.03Å; K65-I67 PolarHBondContact O-N 3.18Å | ||
| 66 | E | 47.1 | Very low | 48.9 | Very low | 196 Ų | 196 | 161.5 Ų | 161.5 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | trans | -49.6 | 115.4 | 131.2 | 178.4 | -167.9 | 152.8 | 0 | 0 | 110.1 | ||||
| 67 | I | 50.3 | Low | 48.9 | Very low | 117 Ų | 117 | 157 Ų | 157 | 60% | 0.6 | 80% | 0.797 | S | S | * | * | trans | -146.1 | 106.3 | 160.6 | -63 | -175.2 | 0 | 0 | 0 | 108.2 | K65 | K65-I67 HydrophobicContact CB-CD1 4.49Å; K65-I67 HydrophobicContact CB-CG1 4.28Å; K65-I67 HydrophobicContact CD-CD1 4.03Å; K65-I67 PolarHBondContact O-N 3.18Å | ||
| 68 | Q | 43.5 | Very low | 48.5 | Very low | 160 Ų | 160 | 159.9 Ų | 159.9 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | 63.8 | 107.3 | 128.3 | -149 | 170.9 | 53 | 0 | 0 | 119.5 | |||||
| 69 | N | 43.5 | Very low | 48 | Very low | 161 Ų | 161 | 157.7 Ų | 157.7 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | 31.4 | 126.5 | 126.9 | -61.5 | -40.4 | 0 | 0 | 0 | 119.5 | |||||
| 70 | G | 42.3 | Very low | 47.5 | Very low | 77 Ų | 77 | 154.7 Ų | 154.7 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -167.8 | 96.2 | 160.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L72 | G70-L72 PolarHBondContact O-N 3.19Š| ||
| 71 | T | 46.9 | Very low | 47.3 | Very low | 141 Ų | 141 | 149.5 Ų | 149.5 | 87% | 0.865 | 77% | 0.767 | S | S | * | * | trans | -63.5 | 116.3 | 158.2 | -67.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 72 | L | 46.9 | Very low | 47 | Very low | 159 Ų | 159 | 150.8 Ų | 150.8 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | 170.3 | 132.3 | 156.8 | -129.6 | 70.6 | 0 | 0 | 0 | 104.9 | G70 | G70-L72 PolarHBondContact O-N 3.19Š| ||
| 73 | R | 44.6 | Very low | 46.7 | Very low | 197 Ų | 197 | 150.9 Ų | 150.9 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | cis | -171 | 123.4 | 33.1 | -175.3 | -177.3 | 164.9 | -154.8 | -5.1 | 105.5 | S75 | R73-S75 PolarHBondContact NE-OG 3.18Å; R73-S75 PolarHBondContact O-N 3.05Å; R73-S75 VanDerWaalsContact O-N 3.13Å | ||
| 74 | E | 45.1 | Very low | 46.6 | Very low | 192 Ų | 192 | 150 Ų | 150 | 90% | 0.897 | 76% | 0.763 | S | S | * | * | trans | -56.5 | 112.5 | 155.3 | -65.2 | 175.6 | 125.8 | 0 | 0 | 106.6 | ||||
| 75 | S | 46 | Very low | 46.9 | Very low | 78 Ų | 78 | 150.5 Ų | 150.5 | 55% | 0.545 | 77% | 0.765 | S | S | . | * | trans | -110.1 | 78.9 | 165.3 | -69.2 | 0 | 0 | 0 | 0 | 107.4 | R73 | R73-S75 PolarHBondContact NE-OG 3.18Å; R73-S75 PolarHBondContact O-N 3.05Å; R73-S75 VanDerWaalsContact O-N 3.13Å | ||
| 76 | D | 46 | Very low | 47.1 | Very low | 131 Ų | 131 | 149.2 Ų | 149.2 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | -52.6 | 134.6 | 147.4 | -177.5 | 20.5 | 0 | 0 | 0 | 109.8 | ||||
| 77 | S | 53.5 | Low | 46.9 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | -162 | 72.4 | 176.8 | 167 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 78 | E | 46.6 | Very low | 46.5 | Very low | 162 Ų | 162 | 147.8 Ų | 147.8 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | trans | -56.9 | 150.7 | 162.6 | -60.8 | -174.1 | 108.5 | 0 | 0 | 112.4 | ||||
| 79 | H | 43.1 | Very low | 46.3 | Very low | 158 Ų | 158 | 144.5 Ų | 144.5 | 73% | 0.731 | 78% | 0.776 | S | S | * | * | trans | 66.2 | 104.6 | 146.2 | 170.4 | -87.2 | 0 | 0 | 0 | 120.1 | ||||
| 80 | V | 46.4 | Very low | 46.1 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 74% | 0.739 | 77% | 0.77 | S | S | * | * | trans | -148.5 | 111.4 | 132.5 | 173.3 | 0 | 0 | 0 | 0 | 108.6 | R82 | V80-R82 PolarHBondContact O-N 3.26Š| ||
| 81 | P | 54.7 | Low | 45.9 | Very low | 85 Ų | 85 | 143.9 Ų | 143.9 | 55% | 0.552 | 77% | 0.769 | S | S | * | * | trans | -71.3 | 113.2 | 161.9 | 27.8 | -27.3 | 0 | 0 | 0 | 107.7 | D83 | P81-D83 PolarHBondContact O-N 2.92Š| ||
| 82 | R | 49.3 | Very low | 45.8 | Very low | 225 Ų | 225 | 141.3 Ų | 141.3 | 85% | 0.849 | 76% | 0.762 | S | S | * | * | trans | -66.6 | 103.6 | 173.4 | -97.4 | -159 | -171.5 | -158 | 4.8 | 109.2 | V80 F84 | V80-R82 PolarHBondContact O-N 3.26Å; R82-F84 PolarHBondContact O-N 3.41Å | ||
| 83 | D | 43.5 | Very low | 45.6 | Very low | 151 Ų | 151 | 142.1 Ų | 142.1 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | trans | -50.7 | 111.4 | 156.3 | -61.1 | -61.9 | 0 | 0 | 0 | 109.9 | P81 | P81-D83 PolarHBondContact O-N 2.92Š| ||
| 84 | F | 46.2 | Very low | 45.5 | Very low | 195 Ų | 195 | 140 Ų | 140 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | trans | -120.3 | 84.5 | 166.2 | -152.3 | -92 | 0 | 0 | 0 | 108.2 | R82 | R82-F84 PolarHBondContact O-N 3.41Š| ||
| 85 | K | 55 | Low | 45.2 | Very low | 179 Ų | 179 | 139.3 Ų | 139.3 | 78% | 0.778 | 76% | 0.762 | S | S | * | * | trans | -105 | 138.1 | 174.3 | -130.6 | -82.8 | -176.6 | 177.8 | 0 | 108.2 | ||||
| 86 | L | 48.3 | Very low | 44.9 | Very low | 132 Ų | 132 | 143.1 Ų | 143.1 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | trans | 97.3 | 96.3 | 163.4 | -52.4 | 171.3 | 0 | 0 | 0 | 116.4 | ||||
| 87 | S | 42.5 | Very low | 44.3 | Very low | 131 Ų | 131 | 147 Ų | 147 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | -151.1 | 113.7 | 111.7 | -94.4 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 88 | D | 42.6 | Very low | 43.6 | Very low | 152 Ų | 152 | 146.6 Ų | 146.6 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | -72.3 | 127.5 | 166.8 | 176.5 | 26.2 | 0 | 0 | 0 | 109.4 | ||||
| 89 | A | 38.9 | Very low | 43.6 | Very low | 92 Ų | 92 | 144.9 Ų | 144.9 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | trans | -166.1 | 97.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 90 | S | 40.2 | Very low | 43.2 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -67.7 | 150.8 | 158.2 | 57.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 91 | P | 38.3 | Very low | 43.4 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | -133.6 | 129.2 | 110.5 | 33.6 | -22.5 | 0 | 0 | 0 | 111.4 | |||||
| 92 | A | 44.9 | Very low | 42.6 | Very low | 87 Ų | 87 | 144.9 Ų | 144.9 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | trans | -74.4 | 122.7 | 150.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 93 | E | 41.7 | Very low | 42.4 | Very low | 176 Ų | 176 | 141.5 Ų | 141.5 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -147.6 | 104.3 | 153.1 | -79.7 | -74.4 | 90.1 | 0 | 0 | 105.7 | ||||
| 94 | D | 43.3 | Very low | 42.3 | Very low | 152 Ų | 152 | 139 Ų | 139 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -69.8 | 124.1 | 158 | -80 | -72.9 | 0 | 0 | 0 | 108.3 | ||||
| 95 | E | 38.6 | Very low | 42.3 | Very low | 178 Ų | 178 | 133.9 Ų | 133.9 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -172.4 | 101.8 | 143.1 | -109.4 | 173.2 | 104.9 | 0 | 0 | 111.8 | ||||
| 96 | Q | 39 | Very low | 41.4 | Very low | 158 Ų | 158 | 133.2 Ų | 133.2 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | 44.8 | 103.1 | 128.9 | -170.2 | 173.1 | -22.9 | 0 | 0 | 119.1 | |||||
| 97 | F | 34 | Very low | 41.1 | Very low | 212 Ų | 212 | 133.6 Ų | 133.6 | 93% | 0.93 | 78% | 0.783 | S | S | * | * | trans | -145.4 | 103.7 | 138.7 | -103.9 | -83.9 | 0 | 0 | 0 | 111.5 | ||||
| 98 | V | 38.5 | Very low | 41 | Very low | 108 Ų | 108 | 132.8 Ų | 132.8 | 66% | 0.655 | 78% | 0.777 | S | S | * | * | trans | -2.5 | 138.2 | 155.8 | -177 | 0 | 0 | 0 | 0 | 118.1 | A100 | V98-A100 PolarHBondContact O-N 3.43Š| ||
| 99 | P | 47.3 | Very low | 40.9 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -75 | 114 | 169 | 32 | -30.7 | 0 | 0 | 0 | 110 | ||||
| 100 | A | 33.7 | Very low | 41 | Very low | 92 Ų | 92 | 131.3 Ų | 131.3 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | trans | -92.6 | 130.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V98 | V98-A100 PolarHBondContact O-N 3.43Š| ||
| 101 | P | 50.8 | Low | 41.2 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | -85.1 | 130.2 | -175.8 | 33.6 | -30.7 | 0 | 0 | 0 | 110.1 | ||||
| 102 | L | 38.7 | Very low | 41.5 | Very low | 151 Ų | 151 | 138.8 Ų | 138.8 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -122.6 | 92.7 | 173.4 | -140.4 | 147.3 | 0 | 0 | 0 | 110.1 | V104 | L102-V104 HydrophobicContact CD2-CG2 3.45Å; L102-V104 VanDerWaalsContact CD2-CG2 3.45Å; L102-V104 PolarHBondContact O-N 3.32Å | ||
| 103 | N | 44.3 | Very low | 41.9 | Very low | 154 Ų | 154 | 142.6 Ų | 142.6 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | -48.8 | 112.1 | 155.7 | -92.8 | -73.6 | 0 | 0 | 0 | 109.2 | ||||
| 104 | V | 41 | Very low | 42.7 | Very low | 98 Ų | 98 | 146.1 Ų | 146.1 | 59% | 0.594 | 79% | 0.792 | S | S | * | * | trans | -122.5 | 91.6 | 152.3 | -177.7 | 0 | 0 | 0 | 0 | 106.7 | L102 E106 | L102-V104 HydrophobicContact CD2-CG2 3.45Å; L102-V104 VanDerWaalsContact CD2-CG2 3.45Å; L102-V104 PolarHBondContact O-N 3.32Å; V104-E106 HydrophobicContact CG1-CB 4.45Å; V104-E106 HydrophobicContact CG1-CG 3.77Å; V104-E106 PolarHBondContact O-N 3.19Å | ||
| 105 | A | 45.6 | Very low | 43.4 | Very low | 89 Ų | 89 | 148.6 Ų | 148.6 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -67.8 | 111.7 | 157.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 106 | E | 37.7 | Very low | 44.1 | Very low | 165 Ų | 165 | 149.5 Ų | 149.5 | 77% | 0.771 | 80% | 0.797 | S | S | * | * | trans | -133.7 | 83.5 | 161.9 | -75.4 | -169.3 | 140.7 | 0 | 0 | 109.8 | V104 S108 | V104-E106 HydrophobicContact CG1-CB 4.45Å; V104-E106 HydrophobicContact CG1-CG 3.77Å; V104-E106 PolarHBondContact O-N 3.19Å; E106-S108 PolarHBondContact O-N 2.97Å | ||
| 107 | T | 41.2 | Very low | 44.4 | Very low | 139 Ų | 139 | 151.5 Ų | 151.5 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -50.6 | 112.9 | 145.6 | 47.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 108 | S | 40.5 | Very low | 45.4 | Very low | 114 Ų | 114 | 150.2 Ų | 150.2 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -128.1 | 71.7 | 160.7 | 58 | 0 | 0 | 0 | 0 | 110.2 | E106 | E106-S108 PolarHBondContact O-N 2.97Š| ||
| 109 | S | 40.7 | Very low | 46 | Very low | 104 Ų | 104 | 154.8 Ų | 154.8 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -66 | 142.5 | 152.3 | 63.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 110 | S | 40.2 | Very low | 46.1 | Very low | 110 Ų | 110 | 158.3 Ų | 158.3 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | 78.3 | 133 | 162.5 | -150.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 111 | V | 45.9 | Very low | 46.5 | Very low | 126 Ų | 126 | 162.5 Ų | 162.5 | 76% | 0.764 | 82% | 0.818 | S | S | * | * | -168.6 | 121.2 | 53.7 | 172.4 | 0 | 0 | 0 | 0 | 109 | |||||
| 112 | R | 44.6 | Very low | 46 | Very low | 254 Ų | 254 | 165.8 Ų | 165.8 | 96% | 0.958 | 82% | 0.819 | S | S | * | * | trans | -159.5 | 68.7 | 141.4 | -132 | 175.6 | -172.6 | 170.4 | 2.3 | 111.9 | ||||
| 113 | E | 51.4 | Low | 46.1 | Very low | 168 Ų | 168 | 163.9 Ų | 163.9 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | -95.7 | 114.6 | 169.8 | -167.3 | -175.1 | 164.2 | 0 | 0 | 109.1 | ||||
| 114 | R | 60.3 | Low | 45.7 | Very low | 249 Ų | 249 | 161.7 Ų | 161.7 | 94% | 0.94 | 81% | 0.813 | S | S | * | * | trans | -151 | 85.6 | 158 | -69.6 | -164.6 | -177.3 | 130.7 | 3.7 | 112 | ||||
| 115 | K | 57.8 | Low | 45.3 | Very low | 204 Ų | 204 | 163.2 Ų | 163.2 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | S | Bend | -167.5 | 82.5 | 129.7 | -146.9 | 179.5 | -177 | -176.8 | 0 | 111.7 | |||
| 116 | K | 53.3 | Low | 44.7 | Very low | 197 Ų | 197 | 166.9 Ų | 166.9 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | trans | 34.4 | 103.2 | 141.4 | -166.2 | 176.7 | -177.4 | 177 | 0 | 118.6 | ||||
| 117 | K | 45.6 | Very low | 44.6 | Very low | 201 Ų | 201 | 167 Ų | 167 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | -162.6 | 95.4 | 114.7 | -167.9 | 173.6 | -178.5 | -179.4 | 0 | 109.3 | |||||
| 118 | E | 53.2 | Low | 44.1 | Very low | 184 Ų | 184 | 170.2 Ų | 170.2 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | -63.9 | 134.6 | 172.9 | -64.9 | 175.9 | 102.4 | 0 | 0 | 111.4 | ||||
| 119 | K | 52.5 | Low | 43.7 | Very low | 205 Ų | 205 | 169.5 Ų | 169.5 | 89% | 0.891 | 82% | 0.815 | S | S | * | * | trans | -140.4 | 89.6 | 142.2 | -164.6 | 177.4 | 178.3 | -175.1 | 0 | 109.4 | ||||
| 120 | K | 48.9 | Very low | 43.4 | Very low | 199 Ų | 199 | 171.4 Ų | 171.4 | 87% | 0.865 | 82% | 0.816 | S | S | * | * | trans | 46.2 | 115.1 | 149.9 | -59.7 | -158.8 | 173.8 | -167.6 | 0 | 119.6 | ||||
| 121 | Q | 41.6 | Very low | 43.2 | Very low | 180 Ų | 180 | 175.8 Ų | 175.8 | 84% | 0.841 | 82% | 0.821 | S | S | * | * | trans | -52 | 148 | 151.6 | -67.8 | 172 | -30.9 | 0 | 0 | 112.5 | ||||
| 122 | K | 41 | Very low | 42.6 | Very low | 190 Ų | 190 | 178.4 Ų | 178.4 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | -177.6 | 163.5 | 100.2 | -100 | -161.7 | -178.8 | -174.5 | 0 | 112.7 | |||||
| 123 | P | 41.5 | Very low | 42.3 | Very low | 112 Ų | 112 | 171.7 Ų | 171.7 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | trans | -92.7 | 172.7 | -153.7 | 38.5 | -36.6 | 0 | 0 | 0 | 114.2 | ||||
| 124 | S | 35.5 | Very low | 41.7 | Very low | 107 Ų | 107 | 171.4 Ų | 171.4 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | trans | -27.5 | 139.5 | 159.3 | 172.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 125 | L | 33.2 | Very low | 40.5 | Very low | 130 Ų | 130 | 163.6 Ų | 163.6 | 68% | 0.681 | 81% | 0.81 | S | S | * | * | 139.4 | 131.2 | 125.8 | -162.7 | 112.7 | 0 | 0 | 0 | 111.7 | |||||
| 126 | E | 32.5 | Very low | 39.5 | Very low | 166 Ų | 166 | 158.7 Ų | 158.7 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | 81.3 | 137.5 | 155 | -80.8 | 160.1 | -160.5 | 0 | 0 | 121.9 | ||||
| 127 | E | 34.7 | Very low | 38.7 | Very low | 169 Ų | 169 | 158.8 Ų | 158.8 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | 83.5 | 74 | 155.7 | -138.1 | 171.6 | 154.8 | 0 | 0 | 118.7 | V129 | E127-V129 HydrophobicContact CG-CB 4.41Å; E127-V129 HydrophobicContact CG-CG2 4.33Å | ||
| 128 | Q | 32.1 | Very low | 38.7 | Very low | 206 Ų | 206 | 156.9 Ų | 156.9 | 96% | 0.963 | 80% | 0.799 | S | S | * | * | trans | -95.1 | 82.7 | 151.9 | -79.2 | -165.3 | 18.7 | 0 | 0 | 110 | ||||
| 129 | V | 31.1 | Very low | 38.2 | Very low | 98 Ų | 98 | 154.1 Ų | 154.1 | 59% | 0.594 | 80% | 0.798 | S | S | * | * | trans | -107.8 | 118.3 | 161.2 | 163.9 | 0 | 0 | 0 | 0 | 106.3 | E127 | E127-V129 HydrophobicContact CG-CB 4.41Å; E127-V129 HydrophobicContact CG-CG2 4.33Å | ||
| 130 | I | 34.8 | Very low | 37.4 | Very low | 145 Ų | 145 | 147.5 Ų | 147.5 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | trans | 68.5 | 106 | 154.5 | -55.9 | 163.9 | 0 | 0 | 0 | 117 | ||||
| 131 | K | 35.7 | Very low | 36.8 | Very low | 202 Ų | 202 | 148 Ų | 148 | 88% | 0.878 | 79% | 0.789 | S | S | * | * | 178.8 | 137.6 | 104.8 | -124.5 | 157.4 | -178.8 | 179.7 | 0 | 113.6 | |||||
| 132 | E | 34.6 | Very low | 36.8 | Very low | 181 Ų | 181 | 148.9 Ų | 148.9 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -65 | 177.9 | 176.8 | -69.1 | 178.2 | 115.5 | 0 | 0 | 115.9 | ||||
| 133 | S | 37.8 | Very low | 36.7 | Very low | 113 Ų | 113 | 146.6 Ų | 146.6 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | 102.3 | 96.6 | 158.5 | 68.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 134 | D | 37.7 | Very low | 36.5 | Very low | 161 Ų | 161 | 148.7 Ų | 148.7 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | 66.6 | 134.2 | 57.7 | -155.1 | -85.4 | 0 | 0 | 0 | 114.2 | |||||
| 135 | A | 34.8 | Very low | 37 | Very low | 86 Ų | 86 | 149.4 Ų | 149.4 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | 78.7 | 114 | 174.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 136 | S | 38.4 | Very low | 37.3 | Very low | 101 Ų | 101 | 147.8 Ų | 147.8 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | 158.1 | 117.3 | 97.3 | -169.3 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 137 | K | 36.1 | Very low | 37.8 | Very low | 198 Ų | 198 | 148.1 Ų | 148.1 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | 70.8 | 116.5 | 143 | -71.6 | 176.2 | 179.8 | 178.8 | 0 | 122 | ||||
| 138 | I | 45.6 | Very low | 38.1 | Very low | 161 Ų | 161 | 145.4 Ų | 145.4 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | trans | -87.7 | 144.3 | 158.2 | -39.2 | 173.3 | 0 | 0 | 0 | 108.3 | ||||
| 139 | P | 43.3 | Very low | 38.6 | Very low | 127 Ų | 127 | 141.2 Ų | 141.2 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | -138.8 | 135.2 | 106.6 | 35.5 | -21.5 | 0 | 0 | 0 | 109.9 | |||||
| 140 | G | 34.9 | Very low | 39.2 | Very low | 65 Ų | 65 | 146.4 Ų | 146.4 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | 108.3 | 107.8 | 59.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 141 | K | 37.1 | Very low | 39.7 | Very low | 209 Ų | 209 | 148.5 Ų | 148.5 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | 101.5 | 125.4 | 157.6 | -72.9 | -177.5 | 173.3 | 176.7 | 0 | 121.3 | ||||
| 142 | K | 40 | Very low | 40.4 | Very low | 200 Ų | 200 | 144 Ų | 144 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | trans | 80.1 | 97.6 | 160.2 | -66.8 | -165.6 | 175.8 | -170.6 | 0 | 116.5 | ||||
| 143 | V | 39.7 | Very low | 40.8 | Very low | 141 Ų | 141 | 140 Ų | 140 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | -166.6 | 129.3 | 93.4 | 167.8 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 144 | E | 38.1 | Very low | 41.6 | Very low | 156 Ų | 156 | 140.2 Ų | 140.2 | 73% | 0.729 | 79% | 0.788 | S | S | * | * | trans | -86.9 | 143.7 | 167.8 | -155.9 | 176.2 | 173.3 | 0 | 0 | 108 | V146 | E144-V146 HydrophobicContact CG-CG2 4.27Å; E144-V146 WeakPolarHBondContact OE1-CG2 3.01Å | ||
| 145 | P | 45.7 | Very low | 43 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | -140.5 | 138.3 | 99.9 | 30.2 | -12.6 | 0 | 0 | 0 | 114 | |||||
| 146 | V | 39.9 | Very low | 44 | Very low | 95 Ų | 95 | 140 Ų | 140 | 58% | 0.576 | 79% | 0.788 | S | S | * | * | trans | -47.8 | 136 | 161.9 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | E144 | E144-V146 HydrophobicContact CG-CG2 4.27Å; E144-V146 WeakPolarHBondContact OE1-CG2 3.01Å | ||
| 147 | L | 41.8 | Very low | 44.5 | Very low | 173 Ų | 173 | 141.2 Ų | 141.2 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | -170.1 | 119.6 | 120.8 | -92.9 | 173.1 | 0 | 0 | 0 | 109.5 | |||||
| 148 | V | 42 | Very low | 45.2 | Very low | 113 Ų | 113 | 140.1 Ų | 140.1 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | trans | -107.9 | 139.6 | -163.8 | 168.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 149 | T | 42.8 | Very low | 45.2 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 72% | 0.724 | 80% | 0.799 | S | S | * | * | trans | 66.3 | 141.5 | 158.7 | 58 | 0 | 0 | 0 | 0 | 119 | ||||
| 150 | K | 43.6 | Very low | 45.3 | Very low | 206 Ų | 206 | 140.1 Ų | 140.1 | 90% | 0.896 | 80% | 0.8 | S | S | * | * | 177.5 | 104.6 | 111.8 | -69.3 | -132.3 | 179.8 | -179.8 | 0 | 112 | |||||
| 151 | Q | 45.4 | Very low | 45.6 | Very low | 190 Ų | 190 | 141.9 Ų | 141.9 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | trans | -136.6 | 165.4 | 152.8 | -143.4 | -153.5 | -11.6 | 0 | 0 | 107.2 | ||||
| 152 | P | 48.7 | Very low | 45.9 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 70% | 0.695 | 80% | 0.797 | S | S | * | * | -119.6 | 150.7 | -88.1 | 38 | -23.9 | 0 | 0 | 0 | 113.6 | |||||
| 153 | A | 42.8 | Very low | 45.9 | Very low | 97 Ų | 97 | 133.4 Ų | 133.4 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -164.3 | 140 | 159.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 154 | P | 55.3 | Low | 46.1 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 154.5 | 172.9 | 34.4 | -32.7 | 0 | 0 | 0 | 112.1 | ||
| 155 | P | 68.1 | Low | 46.4 | Very low | 123 Ų | 123 | 138 Ų | 138 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 150.3 | 175.9 | 29.7 | -32.2 | 0 | 0 | 0 | 113.5 | ||
| 156 | P | 55.8 | Low | 46.3 | Very low | 119 Ų | 119 | 142.1 Ų | 142.1 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 165.8 | -173.9 | 34.5 | -36.4 | 0 | 0 | 0 | 114.3 | ||
| 157 | P | 48.5 | Very low | 46.7 | Very low | 126 Ų | 126 | 142.5 Ų | 142.5 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 136.1 | 179.8 | 34.3 | -30 | 0 | 0 | 0 | 111.3 | ||
| 158 | L | 49.5 | Very low | 46.8 | Very low | 175 Ų | 175 | 138 Ų | 138 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | trans | -128.4 | 103.7 | 165.7 | -156.2 | 76.9 | 0 | 0 | 0 | 109.7 | ||||
| 159 | E | 47.3 | Very low | 47 | Very low | 187 Ų | 187 | 141.1 Ų | 141.1 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -64.8 | 139.5 | 157 | -65.6 | -158.1 | 142.5 | 0 | 0 | 110 | ||||
| 160 | A | 43.6 | Very low | 47.2 | Very low | 102 Ų | 102 | 145.6 Ų | 145.6 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | trans | 143.2 | 89.5 | 145.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 161 | A | 42.9 | Very low | 47.5 | Very low | 102 Ų | 102 | 144.4 Ų | 144.4 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | trans | -161.7 | 93 | 143.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 162 | A | 42.5 | Very low | 47.9 | Very low | 83 Ų | 83 | 141 Ų | 141 | 69% | 0.686 | 82% | 0.821 | S | S | * | * | trans | -63.4 | 170.3 | 170 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 163 | L | 39.3 | Very low | 48.1 | Very low | 147 Ų | 147 | 144 Ų | 144 | 77% | 0.77 | 82% | 0.823 | S | S | * | * | trans | 77 | 108.2 | 149.9 | -95.9 | 83.5 | 0 | 0 | 0 | 117.9 | ||||
| 164 | K | 45.2 | Very low | 48.2 | Very low | 188 Ų | 188 | 146.5 Ų | 146.5 | 82% | 0.817 | 82% | 0.823 | S | S | * | * | 170.1 | 138.5 | 84.4 | -79.5 | -154.3 | 178 | 173.2 | 0 | 112.6 | |||||
| 165 | K | 44.7 | Very low | 47.9 | Very low | 205 Ų | 205 | 144.5 Ų | 144.5 | 89% | 0.891 | 82% | 0.824 | S | S | * | * | trans | -34.5 | 143.9 | 158.3 | -72 | 177 | 166.8 | 178 | 0 | 114.5 | ||||
| 166 | K | 43.7 | Very low | 47.3 | Very low | 210 Ų | 210 | 144.3 Ų | 144.3 | 91% | 0.913 | 83% | 0.825 | S | S | * | * | -160.1 | 131.8 | 120.9 | -113.3 | -174.2 | -178.9 | -173.3 | 0 | 113 | |||||
| 167 | A | 46.9 | Very low | 46.7 | Very low | 104 Ų | 104 | 142.8 Ų | 142.8 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | trans | -68.2 | 150.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 168 | G | 43.8 | Very low | 47.1 | Very low | 78 Ų | 78 | 152.2 Ų | 152.2 | 80% | 0.804 | 84% | 0.842 | S | S | * | * | trans | -170 | 60.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 169 | Q | 46.4 | Very low | 47 | Very low | 178 Ų | 178 | 151.1 Ų | 151.1 | 83% | 0.832 | 84% | 0.838 | S | S | * | * | trans | -22.1 | 130.8 | 157.6 | -173.4 | -176 | 67.7 | 0 | 0 | 116 | ||||
| 170 | K | 47.5 | Very low | 47 | Very low | 213 Ų | 213 | 149.2 Ų | 149.2 | 93% | 0.926 | 84% | 0.836 | S | S | * | * | trans | -148.6 | 133.1 | 142 | -106.3 | -177.8 | -173.8 | 179 | 0 | 111.5 | ||||
| 171 | K | 49.6 | Very low | 47.1 | Very low | 181 Ų | 181 | 151.8 Ų | 151.8 | 79% | 0.787 | 84% | 0.836 | S | S | * | * | trans | -70.6 | 151.5 | -170 | -69.3 | 170 | 166.7 | 172.4 | 0 | 114.9 | ||||
| 172 | S | 53.4 | Low | 47.4 | Very low | 118 Ų | 118 | 154.7 Ų | 154.7 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | -151.4 | 89 | 128.9 | 59.2 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 173 | K | 52.6 | Low | 47.7 | Very low | 170 Ų | 170 | 159.2 Ų | 159.2 | 74% | 0.739 | 85% | 0.845 | S | S | * | * | 54.7 | 95.4 | 87.2 | -152.3 | 176.8 | -173.1 | -174.2 | 0 | 114.5 | |||||
| 174 | N | 45 | Very low | 48.3 | Very low | 149 Ų | 149 | 160 Ų | 160 | 80% | 0.797 | 85% | 0.85 | S | S | * | * | trans | 67.1 | 142.7 | 143.4 | -55.3 | 4 | 0 | 0 | 0 | 117.7 | ||||
| 175 | G | 49.1 | Very low | 48.5 | Very low | 77 Ų | 77 | 158 Ų | 158 | 79% | 0.794 | 85% | 0.852 | S | S | * | * | cis | -151.4 | 158.6 | 24.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 176 | S | 55 | Low | 48.8 | Very low | 118 Ų | 118 | 154.4 Ų | 154.4 | 83% | 0.825 | 85% | 0.849 | S | S | * | * | trans | -69.1 | 149.8 | -176.3 | -179.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 177 | A | 44.4 | Very low | 49.2 | Very low | 87 Ų | 87 | 149.8 Ų | 149.8 | 72% | 0.719 | 84% | 0.844 | S | S | * | * | trans | -45.9 | 149.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 178 | R | 56.5 | Low | 49.4 | Very low | 324 Ų | 324 | 153.9 Ų | 153.9 | 100% | 1.223 | 84% | 0.843 | S | S | * | * | trans | -132 | 0 | 131.4 | -105.2 | -171.7 | 176.4 | -160.8 | -0.9 | 108.2 |
Retrieved 178 of 178 residues in 43.4 ms
(Link to these results)