| 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 | 58.4 | Low | 76.3 | Confident | 231 Ų | 231 | 93.5 Ų | 93.5 | 100% | 1.138 | 49% | 0.489 | S | S | * | . | 0 | 109.9 | 0 | -70.6 | -59.9 | 165 | 0 | 0 | 107.3 | |||||
| 2 | S | 80 | Confident | 76.4 | Confident | 59 Ų | 59 | 93.4 Ų | 93.4 | 41% | 0.413 | 49% | 0.488 | S | S | . | . | trans | -65.6 | 138.7 | -171.3 | 179.4 | 0 | 0 | 0 | 0 | 111.6 | V4 W5 | S2-V4 PolarHBondContact O-N 3.5Å; S2-V4 VanDerWaalsContact O-N 3.1Å; S2-V4 WeakPolarHBondContact OG-CG2 3.24Å; S2-V4 PolarHBondContact OG-N 2.99Å; S2-W5 WeakPolarHBondContact O-CB 3.47Å; S2-W5 PolarHBondContact O-N 3.11Å | ||
| 3 | S | 71.4 | Confident | 76.4 | Confident | 36 Ų | 36 | 93.8 Ų | 93.8 | 25% | 0.252 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -53.6 | -26.1 | 174.7 | 47.6 | 0 | 0 | 0 | 0 | 113.5 | W5 I6 I7 Y112 | S3-W5 PolarHBondContact O-N 3.45Å; S3-I6 WeakPolarHBondContact O-CB 3.47Å; S3-I6 PolarHBondContact O-N 3.16Å; S3-I7 PolarHBondContact O-N 2.97Å; S3-I7 VanDerWaalsContact O-N 3.11Å; S3-Y112 VanDerWaalsContact OG-CD2 3.24Å; S3-Y112 WeakPolarHBondContact OG-CD2 3.39Å; S3-Y112 WeakPolarHBondContact OG-CE2 2.76Å |
| 4 | V | 78.3 | Confident | 75.7 | Confident | 75 Ų | 75 | 89.2 Ų | 89.2 | 46% | 0.455 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -51.8 | -38 | 172.4 | 178.3 | 0 | 0 | 0 | 0 | 111.4 | S2 I6 I7 L8 | S2-V4 PolarHBondContact O-N 3.5Å; S2-V4 VanDerWaalsContact O-N 3.1Å; S2-V4 WeakPolarHBondContact OG-CG2 3.24Å; S2-V4 PolarHBondContact OG-N 2.99Å; V4-I6 VanDerWaalsContact C-N 3.34Å; V4-I6 PolarHBondContact O-N 3.19Å; V4-I7 PolarHBondContact O-N 3.1Å; V4-L8 VanDerWaalsContact O-CB 3.26Å; V4-L8 WeakPolarHBondContact O-CB 3.44Å; V4-L8 PolarHBondContact O-N 3.32Å |
| 5 | W | 82.1 | Confident | 75.1 | Confident | 169 Ų | 169 | 90.5 Ų | 90.5 | 64% | 0.64 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66.3 | -36 | 178.4 | -70.1 | 101 | 0 | 0 | 0 | 112.8 | S2 S3 L9 | S2-W5 WeakPolarHBondContact O-CB 3.47Å; S2-W5 PolarHBondContact O-N 3.11Å; S3-W5 PolarHBondContact O-N 3.45Å; W5-L9 VanDerWaalsContact O-CB 3.23Å; W5-L9 WeakPolarHBondContact O-CB 3.5Å; W5-L9 PolarHBondContact O-N 3.36Å |
| 6 | I | 78.5 | Confident | 74.2 | Confident | 117 Ų | 117 | 97.4 Ų | 97.4 | 60% | 0.6 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -70.8 | -41.4 | 178.8 | -61.5 | 159 | 0 | 0 | 0 | 109.8 | S3 V4 L9 G10 | S3-I6 WeakPolarHBondContact O-CB 3.47Å; S3-I6 PolarHBondContact O-N 3.16Å; V4-I6 VanDerWaalsContact C-N 3.34Å; V4-I6 PolarHBondContact O-N 3.19Å; I6-L9 PolarHBondContact O-N 3.3Å; I6-G10 PolarHBondContact O-N 2.96Å |
| 7 | I | 78.6 | Confident | 73.2 | Confident | 34 Ų | 34 | 96.7 Ų | 96.7 | 17% | 0.174 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 175.8 | -63.9 | 165 | 0 | 0 | 0 | 110.4 | S3 V4 G10 L11 F105 Y112 | S3-I7 PolarHBondContact O-N 2.97Å; S3-I7 VanDerWaalsContact O-N 3.11Å; V4-I7 PolarHBondContact O-N 3.1Å; I7-G10 PolarHBondContact O-N 3.27Å; I7-L11 HydrophobicContact CG2-CD1 4.04Å; I7-L11 WeakPolarHBondContact O-CB 3.34Å; I7-L11 WeakPolarHBondContact O-CG 3.23Å; I7-L11 PolarHBondContact O-N 3.39Å; I7-F105 HydrophobicContact CG2-CE2 4.12Å; I7-F105 HydrophobicContact CG2-CZ 3.96Å; I7-Y112 HydrophobicContact CD1-CD1 4.16Å; I7-Y112 HydrophobicContact CD1-CG 4.43Å |
| 8 | L | 79.5 | Confident | 72 | Confident | 93 Ų | 93 | 96.9 Ų | 96.9 | 49% | 0.487 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 177.9 | -165.1 | 117.7 | 0 | 0 | 0 | 111.4 | V4 L11 L12 | V4-L8 VanDerWaalsContact O-CB 3.26Å; V4-L8 WeakPolarHBondContact O-CB 3.44Å; V4-L8 PolarHBondContact O-N 3.32Å; L8-L11 PolarHBondContact O-N 3.02Å; L8-L12 VanDerWaalsContact O-CB 3.27Å; L8-L12 WeakPolarHBondContact O-CB 3.45Å; L8-L12 PolarHBondContact O-N 2.87Å |
| 9 | L | 82.6 | Confident | 70.8 | Confident | 104 Ų | 104 | 98.6 Ų | 98.6 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 174.9 | -170.6 | 68.1 | 0 | 0 | 0 | 111.3 | W5 I6 L12 I13 | W5-L9 VanDerWaalsContact O-CB 3.23Å; W5-L9 WeakPolarHBondContact O-CB 3.5Å; W5-L9 PolarHBondContact O-N 3.36Å; I6-L9 PolarHBondContact O-N 3.3Å; L9-L12 PolarHBondContact O-N 2.87Å; L9-I13 HydrophobicContact CG-CD1 4.04Å; L9-I13 WeakPolarHBondContact O-CD1 3.48Å; L9-I13 WeakPolarHBondContact O-CG1 3.36Å; L9-I13 PolarHBondContact O-N 3.16Å |
| 10 | G | 76.1 | Confident | 69.5 | Low | 18 Ų | 18 | 97.2 Ų | 97.2 | 19% | 0.186 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -59 | -49.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | I6 I7 L12 I13 C14 | I6-G10 PolarHBondContact O-N 2.96Å; I7-G10 PolarHBondContact O-N 3.27Å; G10-L12 VanDerWaalsContact C-N 3.33Å; G10-L12 PolarHBondContact O-N 2.9Å; G10-I13 PolarHBondContact O-N 3.3Å; G10-C14 PolarHBondContact O-N 3.01Å; G10-C14 PolarHBondContact O-SG 2.85Å |
| 11 | L | 74.3 | Confident | 68.3 | Low | 93 Ų | 93 | 96.2 Ų | 96.2 | 49% | 0.487 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.4 | -41.9 | 174.9 | -80.4 | 163 | 0 | 0 | 0 | 112 | I7 L8 C14 E15 F105 | I7-L11 HydrophobicContact CG2-CD1 4.04Å; I7-L11 WeakPolarHBondContact O-CB 3.34Å; I7-L11 WeakPolarHBondContact O-CG 3.23Å; I7-L11 PolarHBondContact O-N 3.39Å; L8-L11 PolarHBondContact O-N 3.02Å; L11-C14 WeakPolarHBondContact O-CB 3.41Å; L11-C14 PolarHBondContact O-N 3.46Å; L11-E15 WeakPolarHBondContact O-CB 3.26Å; L11-E15 PolarHBondContact O-N 3.44Å; L11-F105 HydrophobicContact CD2-CZ 4.35Å; L11-F105 HydrophobicContact CG-CE2 4.23Å; L11-F105 HydrophobicContact CG-CZ 4.2Å |
| 12 | L | 77.4 | Confident | 67.1 | Low | 92 Ų | 92 | 91.1 Ų | 91.1 | 48% | 0.482 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.3 | -34.3 | -179.7 | -162.4 | 131.9 | 0 | 0 | 0 | 112 | L8 L9 G10 R16 | L8-L12 VanDerWaalsContact O-CB 3.27Å; L8-L12 WeakPolarHBondContact O-CB 3.45Å; L8-L12 PolarHBondContact O-N 2.87Å; L9-L12 PolarHBondContact O-N 2.87Å; G10-L12 VanDerWaalsContact C-N 3.33Å; G10-L12 PolarHBondContact O-N 2.9Å; L12-R16 VanDerWaalsContact O-CB 3.24Å; L12-R16 WeakPolarHBondContact O-CB 3.49Å; L12-R16 PolarHBondContact O-N 2.74Å |
| 13 | I | 75.6 | Confident | 65.3 | Low | 99 Ų | 99 | 93.7 Ų | 93.7 | 51% | 0.508 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.8 | -40.3 | 171.7 | -66.3 | 160.6 | 0 | 0 | 0 | 110.6 | L9 G10 S17 | L9-I13 HydrophobicContact CG-CD1 4.04Å; L9-I13 WeakPolarHBondContact O-CD1 3.48Å; L9-I13 WeakPolarHBondContact O-CG1 3.36Å; L9-I13 PolarHBondContact O-N 3.16Å; G10-I13 PolarHBondContact O-N 3.3Å; I13-S17 WeakPolarHBondContact O-CB 3.5Å; I13-S17 PolarHBondContact O-N 3.34Å; I13-S17 PolarHBondContact O-OG 2.86Å |
| 14 | C | 66.8 | Low | 63.8 | Low | 29 Ų | 29 | 96.5 Ų | 96.5 | 20% | 0.196 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 173 | -62.1 | 0 | 0 | 0 | 0 | 112.6 | G10 L11 R16 S17 T18 F101 | G10-C14 PolarHBondContact O-N 3.01Å; G10-C14 PolarHBondContact O-SG 2.85Å; L11-C14 WeakPolarHBondContact O-CB 3.41Å; L11-C14 PolarHBondContact O-N 3.46Å; C14-R16 VanDerWaalsContact C-N 3.34Å; C14-S17 PolarHBondContact O-N 2.97Å; C14-S17 PolarHBondContact O-OG 3.43Å; C14-T18 WeakPolarHBondContact O-CB 3.48Å; C14-T18 PolarHBondContact O-N 2.93Å; C14-T18 PolarHBondContact O-OG1 2.78Å; C14-F101 WeakPolarHBondContact SG-CE1 3.35Å; C14-F101 WeakPolarHBondContact SG-CZ 3.27Å |
| 15 | E | 66.4 | Low | 62 | Low | 109 Ų | 109 | 97.8 Ų | 97.8 | 51% | 0.509 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.1 | -46.5 | 179.2 | -177.8 | 174.2 | -166.3 | 0 | 0 | 109.2 | L11 S17 T18 F19 | L11-E15 WeakPolarHBondContact O-CB 3.26Å; L11-E15 PolarHBondContact O-N 3.44Å; E15-S17 VanDerWaalsContact C-N 3.33Å; E15-S17 PolarHBondContact O-N 3.5Å; E15-T18 CarbonylContact O-C 3.51Å; E15-T18 WeakPolarHBondContact O-CA 3.35Å; E15-T18 WeakPolarHBondContact O-CB 3.37Å; E15-T18 PolarHBondContact O-N 2.92Å; E15-F19 HydrophobicContact CG-CD2 3.6Å; E15-F19 HydrophobicContact CG-CE2 3.64Å; E15-F19 WeakPolarHBondContact O-CD2 3.22Å; E15-F19 PolarHBondContact O-N 3.36Å; E15-F19 WeakPolarHBondContact OE1-CE2 3.24Å |
| 16 | R | 60.6 | Low | 59.8 | Low | 201 Ų | 201 | 97.4 Ų | 97.4 | 76% | 0.758 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.9 | -36.3 | 176.4 | -171.4 | 170.6 | 177 | -171.6 | -1.7 | 113.1 | L12 C14 T18 F19 G20 | L12-R16 VanDerWaalsContact O-CB 3.24Å; L12-R16 WeakPolarHBondContact O-CB 3.49Å; L12-R16 PolarHBondContact O-N 2.74Å; C14-R16 VanDerWaalsContact C-N 3.34Å; R16-T18 VanDerWaalsContact C-N 3.29Å; R16-F19 PolarHBondContact O-N 3.23Å; R16-G20 PolarHBondContact O-N 2.91Å |
| 17 | S | 57.7 | Low | 58 | Low | 85 Ų | 85 | 95.7 Ų | 95.7 | 59% | 0.594 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -71 | -27.1 | 173.8 | 68.7 | 0 | 0 | 0 | 0 | 112.4 | I13 C14 E15 | I13-S17 WeakPolarHBondContact O-CB 3.5Å; I13-S17 PolarHBondContact O-N 3.34Å; I13-S17 PolarHBondContact O-OG 2.86Å; C14-S17 PolarHBondContact O-N 2.97Å; C14-S17 PolarHBondContact O-OG 3.43Å; E15-S17 VanDerWaalsContact C-N 3.33Å; E15-S17 PolarHBondContact O-N 3.5Å |
| 18 | T | 52.2 | Low | 56.1 | Low | 101 Ų | 101 | 100.1 Ų | 100.1 | 62% | 0.62 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -75.6 | -37.5 | 173.1 | -47.1 | 0 | 0 | 0 | 0 | 111.5 | C14 E15 R16 A21 | C14-T18 WeakPolarHBondContact O-CB 3.48Å; C14-T18 PolarHBondContact O-N 2.93Å; C14-T18 PolarHBondContact O-OG1 2.78Å; E15-T18 CarbonylContact O-C 3.51Å; E15-T18 WeakPolarHBondContact O-CA 3.35Å; E15-T18 WeakPolarHBondContact O-CB 3.37Å; E15-T18 PolarHBondContact O-N 2.92Å; R16-T18 VanDerWaalsContact C-N 3.29Å; T18-A21 PolarHBondContact O-N 3.29Å |
| 19 | F | 48.8 | Very low | 54.1 | Low | 129 Ų | 129 | 103.5 Ų | 103.5 | 57% | 0.566 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -78.5 | -18.5 | 174.7 | -83.6 | -78.3 | 0 | 0 | 0 | 114 | E15 R16 A21 L22 | E15-F19 HydrophobicContact CG-CD2 3.6Å; E15-F19 HydrophobicContact CG-CE2 3.64Å; E15-F19 WeakPolarHBondContact O-CD2 3.22Å; E15-F19 PolarHBondContact O-N 3.36Å; E15-F19 WeakPolarHBondContact OE1-CE2 3.24Å; R16-F19 PolarHBondContact O-N 3.23Å; F19-A21 PolarHBondContact O-N 3.4Å; F19-A21 VanDerWaalsContact O-N 3.14Å; F19-L22 HydrophobicContact CD1-CD1 4.23Å; F19-L22 PolarHBondContact O-N 3.29Å |
| 20 | G | 45.1 | Very low | 52.3 | Low | 70 Ų | 70 | 107.5 Ų | 107.5 | 72% | 0.722 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -6.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R16 | R16-G20 PolarHBondContact O-N 2.91Š|
| 21 | A | 44.1 | Very low | 50.2 | Low | 76 Ų | 76 | 117.9 Ų | 117.9 | 63% | 0.628 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | 21.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | T18 F19 P23 | T18-A21 PolarHBondContact O-N 3.29Å; F19-A21 PolarHBondContact O-N 3.4Å; F19-A21 VanDerWaalsContact O-N 3.14Å; A21-P23 WeakPolarHBondContact O-CD 3.42Å |
| 22 | L | 33.3 | Very low | 48.8 | Very low | 124 Ų | 124 | 120 Ų | 120 | 65% | 0.649 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -73.4 | 106.3 | 148.5 | -121.9 | 90.9 | 0 | 0 | 0 | 105.3 | F19 S24 | F19-L22 HydrophobicContact CD1-CD1 4.23Å; F19-L22 PolarHBondContact O-N 3.29Å; L22-S24 PolarHBondContact O-N 2.96Å |
| 23 | P | 42.5 | Very low | 46.8 | Very low | 113 Ų | 113 | 125.4 Ų | 125.4 | 73% | 0.734 | 67% | 0.666 | S | S | * | * | trans | -60.2 | 101.3 | 161.1 | 26.3 | -31 | 0 | 0 | 0 | 105 | A21 A25 | A21-P23 WeakPolarHBondContact O-CD 3.42Å; P23-A25 VanDerWaalsContact C-N 3.25Å; P23-A25 PolarHBondContact O-N 3.12Å | ||
| 24 | S | 38.8 | Very low | 45.1 | Very low | 96 Ų | 96 | 125.9 Ų | 125.9 | 67% | 0.671 | 68% | 0.678 | S | S | * | * | trans | -46.1 | 109.7 | 151 | -100.9 | 0 | 0 | 0 | 0 | 104.1 | L22 E26 | L22-S24 PolarHBondContact O-N 2.96Å; S24-E26 PolarHBondContact O-N 3.27Å | ||
| 25 | A | 41.8 | Very low | 43.9 | Very low | 102 Ų | 102 | 129 Ų | 129 | 84% | 0.843 | 70% | 0.696 | S | S | * | * | trans | -66.9 | 49.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | P23 S27 | P23-A25 VanDerWaalsContact C-N 3.25Å; P23-A25 PolarHBondContact O-N 3.12Å; A25-S27 VanDerWaalsContact C-N 3.28Å; A25-S27 PolarHBondContact O-N 2.86Å | ||
| 26 | E | 35.8 | Very low | 42.6 | Very low | 160 Ų | 160 | 131.3 Ų | 131.3 | 75% | 0.748 | 71% | 0.712 | S | S | * | * | trans | -87.8 | 88.9 | 169.4 | -161 | 152.4 | -158.7 | 0 | 0 | 104.7 | S24 T28 | S24-E26 PolarHBondContact O-N 3.27Å; E26-T28 VanDerWaalsContact C-N 3.28Å; E26-T28 PolarHBondContact O-N 2.9Å | ||
| 27 | S | 39.8 | Very low | 41.5 | Very low | 81 Ų | 81 | 129.5 Ų | 129.5 | 57% | 0.566 | 72% | 0.716 | S | S | * | * | trans | -37.7 | 85.8 | 169.4 | 51.4 | 0 | 0 | 0 | 0 | 112 | A25 H29 | A25-S27 VanDerWaalsContact C-N 3.28Å; A25-S27 PolarHBondContact O-N 2.86Å; S27-H29 PolarHBondContact O-CD2 3.46Å; S27-H29 PolarHBondContact O-N 2.93Å | ||
| 28 | T | 39.9 | Very low | 40.7 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 78% | 0.779 | 72% | 0.722 | S | S | * | * | trans | -68.5 | 93 | 155.9 | -38.9 | 0 | 0 | 0 | 0 | 105.2 | E26 Y30 | E26-T28 VanDerWaalsContact C-N 3.28Å; E26-T28 PolarHBondContact O-N 2.9Å; T28-Y30 WeakPolarHBondContact O-CD1 3.32Å; T28-Y30 PolarHBondContact O-N 3.42Å | ||
| 29 | H | 37.3 | Very low | 39.9 | Very low | 164 Ų | 164 | 134.7 Ų | 134.7 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | trans | -55.3 | 81.3 | 173.5 | -79.3 | -90.3 | 0 | 0 | 0 | 109.9 | S27 R31 | S27-H29 PolarHBondContact O-CD2 3.46Å; S27-H29 PolarHBondContact O-N 2.93Å; H29-R31 PolarHBondContact O-N 3.34Å | ||
| 30 | Y | 43.2 | Very low | 39.6 | Very low | 189 Ų | 189 | 136.3 Ų | 136.3 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | trans | -70 | 96 | 156.6 | 64.3 | -80.2 | 0 | 0 | 0 | 105.2 | T28 L32 | T28-Y30 WeakPolarHBondContact O-CD1 3.32Å; T28-Y30 PolarHBondContact O-N 3.42Å; Y30-L32 HydrophobicContact CD2-CD1 3.96Å; Y30-L32 HydrophobicContact CD2-CG 3.87Å; Y30-L32 HydrophobicContact CE2-CD1 3.44Å; Y30-L32 VanDerWaalsContact CE2-CD1 3.44Å; Y30-L32 HydrophobicContact CE2-CG 3.9Å; Y30-L32 PolarHBondContact O-N 3.05Å | ||
| 31 | R | 32.5 | Very low | 39.3 | Very low | 235 Ų | 235 | 141.9 Ų | 141.9 | 89% | 0.887 | 75% | 0.752 | S | S | * | * | trans | -60.3 | 80.5 | 170.1 | -176.7 | 177.3 | 173.2 | 177.9 | -2.2 | 107.2 | H29 R33 | H29-R31 PolarHBondContact O-N 3.34Å; R31-R33 PolarHBondContact O-N 3.45Å | ||
| 32 | L | 44.8 | Very low | 39 | Very low | 137 Ų | 137 | 144.6 Ų | 144.6 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | trans | -58.1 | 93.8 | 160.9 | -98.3 | 166.6 | 0 | 0 | 0 | 105.2 | Y30 S34 | Y30-L32 HydrophobicContact CD2-CD1 3.96Å; Y30-L32 HydrophobicContact CD2-CG 3.87Å; Y30-L32 HydrophobicContact CE2-CD1 3.44Å; Y30-L32 VanDerWaalsContact CE2-CD1 3.44Å; Y30-L32 HydrophobicContact CE2-CG 3.9Å; Y30-L32 PolarHBondContact O-N 3.05Å; L32-S34 VanDerWaalsContact C-N 3.34Å; L32-S34 PolarHBondContact O-N 3.26Å | ||
| 33 | R | 35.8 | Very low | 39.2 | Very low | 207 Ų | 207 | 144.4 Ų | 144.4 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | trans | -47.2 | 104.9 | 168.5 | -174.7 | -178.6 | -168.3 | -158.5 | 3.5 | 105.7 | R31 T35 | R31-R33 PolarHBondContact O-N 3.45Å; R33-T35 HydrophobicContact CG-CG2 4.19Å; R33-T35 PolarHBondContact O-N 2.89Å | ||
| 34 | S | 39.6 | Very low | 38.9 | Very low | 109 Ų | 109 | 144.9 Ų | 144.9 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | trans | -63.1 | 81 | 174.2 | 61.8 | 0 | 0 | 0 | 0 | 107.7 | L32 N36 | L32-S34 VanDerWaalsContact C-N 3.34Å; L32-S34 PolarHBondContact O-N 3.26Å; S34-N36 PolarHBondContact O-N 2.88Å | ||
| 35 | T | 42 | Very low | 38.8 | Very low | 94 Ų | 94 | 146.5 Ų | 146.5 | 58% | 0.577 | 77% | 0.774 | S | S | * | * | trans | -75.2 | 89.3 | 165.9 | 48.9 | 0 | 0 | 0 | 0 | 105.9 | R33 L37 | R33-T35 HydrophobicContact CG-CG2 4.19Å; R33-T35 PolarHBondContact O-N 2.89Å; T35-L37 VanDerWaalsContact C-N 3.33Å; T35-L37 PolarHBondContact O-N 3.01Å | ||
| 36 | N | 38.2 | Very low | 38.6 | Very low | 157 Ų | 157 | 146 Ų | 146 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | trans | 16.7 | 70.8 | 152.3 | -58.8 | -47.7 | 0 | 0 | 0 | 114.1 | S34 | S34-N36 PolarHBondContact O-N 2.88Š| ||
| 37 | L | 38.8 | Very low | 38.6 | Very low | 163 Ų | 163 | 150.1 Ų | 150.1 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | -77.6 | 120.1 | 161.7 | -84.4 | 162.6 | 0 | 0 | 0 | 105.5 | T35 E39 | T35-L37 VanDerWaalsContact C-N 3.33Å; T35-L37 PolarHBondContact O-N 3.01Å; L37-E39 PolarHBondContact O-N 2.8Å | ||
| 38 | P | 40.4 | Very low | 38.3 | Very low | 111 Ų | 111 | 155.2 Ų | 155.2 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | trans | -59.2 | 134.4 | -178.4 | 22.8 | -30.5 | 0 | 0 | 0 | 109.1 | L40 | P38-L40 VanDerWaalsContact C-N 3.26Å; P38-L40 PolarHBondContact O-N 3.37Å | ||
| 39 | E | 36.1 | Very low | 38.2 | Very low | 185 Ų | 185 | 155.1 Ų | 155.1 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -34.9 | 80.6 | 172.1 | -164.5 | -179.5 | -174.8 | 0 | 0 | 112.6 | L37 K41 | L37-E39 PolarHBondContact O-N 2.8Å; E39-K41 VanDerWaalsContact C-N 3.3Å; E39-K41 PolarHBondContact O-N 2.91Å | ||
| 40 | L | 41.7 | Very low | 38.4 | Very low | 162 Ų | 162 | 152.3 Ų | 152.3 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | -80.2 | 90.4 | 172.7 | -155.5 | 96.4 | 0 | 0 | 0 | 105.9 | P38 T42 | P38-L40 VanDerWaalsContact C-N 3.26Å; P38-L40 PolarHBondContact O-N 3.37Å; L40-T42 PolarHBondContact O-N 3.32Å | ||
| 41 | K | 39.2 | Very low | 38.2 | Very low | 187 Ų | 187 | 154.6 Ų | 154.6 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -26 | 102 | 174.8 | -75.2 | 176.7 | 174.7 | 178.8 | 0 | 111.7 | E39 T43 | E39-K41 VanDerWaalsContact C-N 3.3Å; E39-K41 PolarHBondContact O-N 2.91Å; K41-T43 PolarHBondContact O-N 2.9Å; K41-T43 VanDerWaalsContact O-N 3.13Å | ||
| 42 | T | 37.8 | Very low | 38.5 | Very low | 134 Ų | 134 | 154.5 Ų | 154.5 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | -73.3 | 96.7 | 172.6 | 35.5 | 0 | 0 | 0 | 0 | 108.2 | L40 P44 | L40-T42 PolarHBondContact O-N 3.32Å; T42-P44 WeakPolarHBondContact O-CD 3.34Å | ||
| 43 | T | 36.7 | Very low | 38.5 | Very low | 119 Ų | 119 | 155.7 Ų | 155.7 | 73% | 0.73 | 80% | 0.803 | S | S | * | * | trans | -79.4 | 110.6 | 158.1 | -54.4 | 0 | 0 | 0 | 0 | 106.8 | K41 V45 | K41-T43 PolarHBondContact O-N 2.9Å; K41-T43 VanDerWaalsContact O-N 3.13Å; T43-V45 HydrophobicContact CG2-CG2 4.34Å; T43-V45 PolarHBondContact O-N 3.33Å | ||
| 44 | P | 37.2 | Very low | 38.7 | Very low | 123 Ų | 123 | 151.5 Ų | 151.5 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | trans | -80.5 | 104.8 | -175.9 | 31.5 | -28.4 | 0 | 0 | 0 | 108.3 | T42 | T42-P44 WeakPolarHBondContact O-CD 3.34Š| ||
| 45 | V | 36.6 | Very low | 38.8 | Very low | 131 Ų | 131 | 151.7 Ų | 151.7 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -113.3 | 121.8 | 165 | -174.4 | 0 | 0 | 0 | 0 | 108 | T43 | T43-V45 HydrophobicContact CG2-CG2 4.34Å; T43-V45 PolarHBondContact O-N 3.33Å | ||
| 46 | A | 37.3 | Very low | 38.8 | Very low | 90 Ų | 90 | 155 Ų | 155 | 74% | 0.744 | 81% | 0.811 | S | S | * | * | trans | -59.7 | 153.9 | -165.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q48 | A46-Q48 PolarHBondContact O-N 2.92Å; A46-Q48 VanDerWaalsContact O-N 3.16Å | ||
| 47 | R | 35.9 | Very low | 38.9 | Very low | 247 Ų | 247 | 152.5 Ų | 152.5 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | trans | -24.1 | 109.3 | 166.1 | -79.9 | 175.3 | 170.5 | 176.6 | -2.9 | 113.2 | ||||
| 48 | Q | 34.3 | Very low | 38.9 | Very low | 189 Ų | 189 | 152.9 Ų | 152.9 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -122.4 | 95.5 | 157.6 | -162.9 | 168 | -5.8 | 0 | 0 | 109.6 | A46 | A46-Q48 PolarHBondContact O-N 2.92Å; A46-Q48 VanDerWaalsContact O-N 3.16Å | ||
| 49 | T | 37.3 | Very low | 38.6 | Very low | 125 Ų | 125 | 151.7 Ų | 151.7 | 77% | 0.767 | 80% | 0.802 | S | S | * | * | trans | -54 | 148.1 | 162.4 | -37.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 50 | S | 41.8 | Very low | 38.6 | Very low | 105 Ų | 105 | 150.4 Ų | 150.4 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | 94.6 | 90.6 | 159.8 | -164.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 51 | R | 38.8 | Very low | 38.3 | Very low | 237 Ų | 237 | 152.8 Ų | 152.8 | 89% | 0.894 | 80% | 0.799 | S | S | * | * | 52.3 | 105.8 | 120.7 | -155.8 | -177.8 | -164.6 | -163.3 | 4.5 | 118.2 | |||||
| 52 | R | 38.2 | Very low | 38.1 | Very low | 232 Ų | 232 | 150.9 Ų | 150.9 | 88% | 0.875 | 80% | 0.796 | S | S | * | * | trans | -159.2 | 118.3 | 135.9 | -140.6 | 176.4 | -176 | -160.9 | 0.9 | 110.5 | V54 | R52-V54 PolarHBondContact O-N 2.88Š| ||
| 53 | I | 45 | Very low | 38.1 | Very low | 163 Ų | 163 | 148.3 Ų | 148.3 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 117 | 169.7 | -61.8 | 165.9 | 0 | 0 | 0 | 106.2 | ||
| 54 | V | 40.4 | Very low | 38 | Very low | 118 Ų | 118 | 150.9 Ų | 150.9 | 72% | 0.715 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 123.7 | 175.6 | -179.2 | 0 | 0 | 0 | 0 | 108 | R52 | R52-V54 PolarHBondContact O-N 2.88Š|
| 55 | P | 40.9 | Very low | 38 | Very low | 114 Ų | 114 | 156.4 Ų | 156.4 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -69 | 141.9 | -178.3 | 25.6 | -31 | 0 | 0 | 0 | 112 | S57 | P55-S57 PolarHBondContact O-N 3.26Š|
| 56 | I | 43.5 | Very low | 38.3 | Very low | 163 Ų | 163 | 156.4 Ų | 156.4 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | -68.2 | 106.4 | -173.8 | -61 | 162.9 | 0 | 0 | 0 | 109.4 | I58 | I56-I58 PolarHBondContact O-N 2.95Š| ||
| 57 | S | 39.2 | Very low | 38.4 | Very low | 105 Ų | 105 | 154.9 Ų | 154.9 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -77.4 | 113.4 | 170.3 | 55.5 | 0 | 0 | 0 | 0 | 109.8 | P55 S59 | P55-S57 PolarHBondContact O-N 3.26Å; S57-S59 PolarHBondContact O-N 3.4Å | ||
| 58 | I | 38.8 | Very low | 38.4 | Very low | 171 Ų | 171 | 151.8 Ų | 151.8 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | -61.3 | 110.5 | 170 | -59.8 | 164.1 | 0 | 0 | 0 | 108.3 | I56 | I56-I58 PolarHBondContact O-N 2.95Š| ||
| 59 | S | 35.1 | Very low | 38.7 | Very low | 85 Ų | 85 | 152.8 Ų | 152.8 | 59% | 0.594 | 79% | 0.786 | S | S | * | * | trans | -149.9 | 130.8 | 158.4 | 77.8 | 0 | 0 | 0 | 0 | 112.3 | S57 | S57-S59 PolarHBondContact O-N 3.4Š| ||
| 60 | Q | 34.7 | Very low | 38.9 | Very low | 159 Ų | 159 | 157.5 Ų | 157.5 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | trans | 71.1 | 85.8 | 155.3 | -59.9 | 167.7 | -2.3 | 0 | 0 | 115.3 | I62 | Q60-I62 PolarHBondContact O-N 3.44Š| ||
| 61 | K | 35.3 | Very low | 38.9 | Very low | 212 Ų | 212 | 157 Ų | 157 | 92% | 0.922 | 79% | 0.786 | S | S | * | * | 25.2 | 71 | 76.3 | -159.8 | -173.1 | -174.2 | -173.2 | 0 | 113.3 | |||||
| 62 | I | 35.7 | Very low | 39.2 | Very low | 146 Ų | 146 | 148.5 Ų | 148.5 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | trans | -150.5 | 133.3 | 144.8 | -81.4 | 120.3 | 0 | 0 | 0 | 108.4 | Q60 | Q60-I62 PolarHBondContact O-N 3.44Š| ||
| 63 | A | 36.5 | Very low | 39.5 | Very low | 80 Ų | 80 | 146 Ų | 146 | 66% | 0.661 | 77% | 0.771 | S | S | * | * | trans | 66.1 | 72.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | R65 | A63-R65 PolarHBondContact O-N 3.36Š| ||
| 64 | L | 36.4 | Very low | 39.6 | Very low | 174 Ų | 174 | 142.6 Ų | 142.6 | 91% | 0.911 | 77% | 0.767 | S | S | * | * | trans | -62.6 | 67.3 | 149.6 | -148.8 | 120.1 | 0 | 0 | 0 | 108.3 | T66 | L64-T66 PolarHBondContact O-N 2.96Š| ||
| 65 | R | 37.2 | Very low | 40 | Very low | 238 Ų | 238 | 146 Ų | 146 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | trans | -77 | 107.1 | 176.2 | -151 | 179.5 | -176.5 | -157.3 | 1.3 | 105.3 | A63 G67 | A63-R65 PolarHBondContact O-N 3.36Å; R65-G67 PolarHBondContact O-N 3.49Å | ||
| 66 | T | 41.3 | Very low | 40.5 | Very low | 132 Ų | 132 | 146.8 Ų | 146.8 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | trans | -53.4 | 68.8 | 175.1 | -45.8 | 0 | 0 | 0 | 0 | 111.7 | L64 | L64-T66 PolarHBondContact O-N 2.96Š| ||
| 67 | G | 40 | Very low | 40.8 | Very low | 57 Ų | 57 | 146 Ų | 146 | 59% | 0.588 | 77% | 0.768 | S | S | * | * | trans | -93.6 | 91.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 106 | R65 Y69 | R65-G67 PolarHBondContact O-N 3.49Å; G67-Y69 PolarHBondContact O-N 3.04Å | ||
| 68 | K | 36.8 | Very low | 41.5 | Very low | 182 Ų | 182 | 146 Ų | 146 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -64.8 | 65.6 | 177 | -156 | -175.3 | -169.4 | -177 | 0 | 109.3 | R70 | K68-R70 PolarHBondContact O-N 3.4Š| ||
| 69 | Y | 39.2 | Very low | 42.2 | Very low | 211 Ų | 211 | 143.5 Ų | 143.5 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | trans | -75.8 | 70.7 | 170.8 | -115.6 | -89.7 | 0 | 0 | 0 | 107.7 | G67 S71 | G67-Y69 PolarHBondContact O-N 3.04Å; Y69-S71 PolarHBondContact O-N 3.05Å | ||
| 70 | R | 41.9 | Very low | 43.1 | Very low | 223 Ų | 223 | 142 Ų | 142 | 84% | 0.842 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 72.9 | 155.8 | -92.7 | -171.7 | 169.7 | -177.3 | -3.5 | 107.4 | K68 | K68-R70 PolarHBondContact O-N 3.4Š|
| 71 | S | 42.3 | Very low | 44.3 | Very low | 94 Ų | 94 | 140.4 Ų | 140.4 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -158.3 | 20.7 | 170.6 | -140.3 | 0 | 0 | 0 | 0 | 113.8 | Y69 | Y69-S71 PolarHBondContact O-N 3.05Š|
| 72 | G | 44.8 | Very low | 45.4 | Very low | 60 Ų | 60 | 132.9 Ų | 132.9 | 62% | 0.619 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -108.1 | -25.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 73 | E | 44.5 | Very low | 46.6 | Very low | 180 Ų | 180 | 130.8 Ų | 130.8 | 84% | 0.841 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -8 | -173.9 | -75.5 | 173 | 154 | 0 | 0 | 114 | ||
| 74 | A | 47.4 | Very low | 47.8 | Very low | 91 Ų | 91 | 130.1 Ų | 130.1 | 75% | 0.752 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -9.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 75 | F | 49.6 | Very low | 49.3 | Very low | 190 Ų | 190 | 124 Ų | 124 | 83% | 0.833 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -104.5 | 5.2 | -171.4 | -131.8 | -88.9 | 0 | 0 | 0 | 115.7 | ||
| 76 | N | 51.1 | Low | 51.1 | Low | 129 Ų | 129 | 117.4 Ų | 117.4 | 69% | 0.69 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -120.3 | 11.5 | -176.4 | -137.5 | 0.4 | 0 | 0 | 0 | 115.1 | ||
| 77 | N | 49 | Very low | 52.7 | Low | 147 Ų | 147 | 117.8 Ų | 117.8 | 79% | 0.786 | 64% | 0.643 | S | S | * | * | trans | -102.8 | 13.4 | -179.3 | -73.7 | 6.4 | 0 | 0 | 0 | 113.9 | ||||
| 78 | S | 53.4 | Low | 54.6 | Low | 105 Ų | 105 | 119.5 Ų | 119.5 | 73% | 0.734 | 64% | 0.638 | S | S | * | * | trans | -101.6 | 6.6 | -178.9 | 61.9 | 0 | 0 | 0 | 0 | 114.9 | S80 | S78-S80 VanDerWaalsContact C-N 3.29Å; S78-S80 PolarHBondContact O-N 2.89Å | ||
| 79 | I | 53.8 | Low | 56.6 | Low | 119 Ų | 119 | 116 Ų | 116 | 61% | 0.61 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -68.2 | 101.4 | 160.2 | -60 | 175.7 | 0 | 0 | 0 | 105.2 | T81 | I79-T81 PolarHBondContact O-N 3.07Š|
| 80 | S | 54.9 | Low | 58.3 | Low | 53 Ų | 53 | 113.7 Ų | 113.7 | 37% | 0.371 | 62% | 0.617 | S | S | . | * | trans | -51.4 | 117.4 | 177.2 | -173.2 | 0 | 0 | 0 | 0 | 107.8 | S78 S82 D83 | S78-S80 VanDerWaalsContact C-N 3.29Å; S78-S80 PolarHBondContact O-N 2.89Å; S80-S82 PolarHBondContact O-N 3.45Å; S80-S82 PolarHBondContact OG-OG 2.66Å; S80-D83 PolarHBondContact O-N 3.44Å | ||
| 81 | T | 59.7 | Low | 60 | Low | 125 Ų | 125 | 106.5 Ų | 106.5 | 77% | 0.767 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -55.8 | -21.9 | 176.2 | 47.2 | 0 | 0 | 0 | 0 | 111.4 | I79 A85 | I79-T81 PolarHBondContact O-N 3.07Å; T81-A85 PolarHBondContact O-N 3.14Å |
| 82 | S | 58.8 | Low | 61.6 | Low | 54 Ų | 54 | 104.6 Ų | 104.6 | 38% | 0.378 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60.1 | -50.6 | 172.2 | 66.2 | 0 | 0 | 0 | 0 | 112.7 | S80 T84 A85 D86 | S80-S82 PolarHBondContact O-N 3.45Å; S80-S82 PolarHBondContact OG-OG 2.66Å; S82-T84 PolarHBondContact O-N 2.86Å; S82-A85 WeakPolarHBondContact O-CB 3.33Å; S82-A85 PolarHBondContact O-N 3.31Å; S82-D86 PolarHBondContact O-N 3.39Å |
| 83 | D | 60.3 | Low | 63 | Low | 103 Ų | 103 | 107.3 Ų | 107.3 | 55% | 0.551 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69.5 | -30.9 | -170.6 | -60.1 | -6.8 | 0 | 0 | 0 | 110.8 | S80 Y87 | S80-D83 PolarHBondContact O-N 3.44Å; D83-Y87 VanDerWaalsContact O-CB 3.32Å; D83-Y87 WeakPolarHBondContact O-CB 3.5Å; D83-Y87 PolarHBondContact O-N 3.15Å |
| 84 | T | 60.6 | Low | 64.6 | Low | 65 Ų | 65 | 104.2 Ų | 104.2 | 40% | 0.399 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -71.5 | -38.3 | 174.8 | -53 | 0 | 0 | 0 | 0 | 111.3 | S82 N88 | S82-T84 PolarHBondContact O-N 2.86Å; T84-N88 WeakPolarHBondContact O-CB 3.34Å; T84-N88 PolarHBondContact O-N 3.3Å; T84-N88 PolarHBondContact O-ND2 2.91Å |
| 85 | A | 69.4 | Low | 65.9 | Low | 45 Ų | 45 | 104.6 Ų | 104.6 | 37% | 0.372 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65 | -47.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T81 S82 Y87 N88 I89 | T81-A85 PolarHBondContact O-N 3.14Å; S82-A85 WeakPolarHBondContact O-CB 3.33Å; S82-A85 PolarHBondContact O-N 3.31Å; A85-Y87 PolarHBondContact O-N 3.1Å; A85-N88 PolarHBondContact O-N 3.25Å; A85-I89 VanDerWaalsContact O-CG1 3.31Å; A85-I89 WeakPolarHBondContact O-CG1 3.39Å; A85-I89 PolarHBondContact O-N 2.74Å |
| 86 | D | 74.5 | Confident | 67 | Low | 100 Ų | 100 | 100.1 Ų | 100.1 | 54% | 0.535 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 179.2 | -70.6 | -23 | 0 | 0 | 0 | 111.7 | S82 N88 I89 W90 | S82-D86 PolarHBondContact O-N 3.39Å; D86-N88 PolarHBondContact O-N 3.25Å; D86-I89 PolarHBondContact O-N 3.31Å; D86-W90 WeakPolarHBondContact O-CB 3.42Å; D86-W90 PolarHBondContact O-N 2.74Å |
| 87 | Y | 75.3 | Confident | 68.3 | Low | 141 Ų | 141 | 95.5 Ų | 95.5 | 55% | 0.553 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61 | -43 | 175.1 | -179.1 | -97.8 | 0 | 0 | 0 | 112.2 | D83 A85 W90 Q91 | D83-Y87 VanDerWaalsContact O-CB 3.32Å; D83-Y87 WeakPolarHBondContact O-CB 3.5Å; D83-Y87 PolarHBondContact O-N 3.15Å; A85-Y87 PolarHBondContact O-N 3.1Å; Y87-W90 PolarHBondContact O-N 2.85Å; Y87-Q91 HydrophobicContact CD1-CG 4.2Å; Y87-Q91 HydrophobicContact CE1-CG 3.8Å; Y87-Q91 HydrophobicContact CE2-CG 4.27Å; Y87-Q91 WeakPolarHBondContact O-CG 3.47Å; Y87-Q91 PolarHBondContact O-N 3.1Å; Y87-Q91 PolarHBondContact OH-NE2 2.95Å |
| 88 | N | 78.7 | Confident | 69.6 | Low | 93 Ų | 93 | 94.5 Ų | 94.5 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 179.3 | -73.2 | -18.2 | 0 | 0 | 0 | 112.1 | T84 A85 D86 Q91 A92 | T84-N88 WeakPolarHBondContact O-CB 3.34Å; T84-N88 PolarHBondContact O-N 3.3Å; T84-N88 PolarHBondContact O-ND2 2.91Å; A85-N88 PolarHBondContact O-N 3.25Å; D86-N88 PolarHBondContact O-N 3.25Å; N88-Q91 PolarHBondContact O-N 2.78Å; N88-A92 WeakPolarHBondContact O-CB 2.99Å; N88-A92 PolarHBondContact O-N 2.89Å |
| 89 | I | 78.8 | Confident | 70.6 | Confident | 107 Ų | 107 | 91.7 Ų | 91.7 | 55% | 0.549 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 176.1 | -66.2 | 164.9 | 0 | 0 | 0 | 109.8 | A85 D86 Q91 A92 L93 | A85-I89 VanDerWaalsContact O-CG1 3.31Å; A85-I89 WeakPolarHBondContact O-CG1 3.39Å; A85-I89 PolarHBondContact O-N 2.74Å; D86-I89 PolarHBondContact O-N 3.31Å; I89-Q91 VanDerWaalsContact C-N 3.34Å; I89-Q91 PolarHBondContact O-N 2.87Å; I89-A92 PolarHBondContact O-N 2.77Å; I89-L93 VanDerWaalsContact O-CB 3.31Å; I89-L93 WeakPolarHBondContact O-CB 3.21Å; I89-L93 PolarHBondContact O-N 3.47Å |
| 90 | W | 76 | Confident | 71.8 | Confident | 163 Ų | 163 | 90 Ų | 90 | 62% | 0.617 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.5 | -40.4 | 178 | -119 | 101.1 | 0 | 0 | 0 | 112.6 | D86 Y87 K94 | D86-W90 WeakPolarHBondContact O-CB 3.42Å; D86-W90 PolarHBondContact O-N 2.74Å; Y87-W90 PolarHBondContact O-N 2.85Å; W90-K94 HydrophobicContact CE3-CD 3.82Å; W90-K94 HydrophobicContact CE3-CG 3.7Å; W90-K94 HydrophobicContact CZ3-CD 4Å; W90-K94 HydrophobicContact CZ3-CG 3.78Å; W90-K94 WeakPolarHBondContact O-CB 3.49Å; W90-K94 WeakPolarHBondContact O-CG 3.24Å; W90-K94 PolarHBondContact O-N 3.47Å |
| 91 | Q | 77.6 | Confident | 73 | Confident | 72 Ų | 72 | 91.2 Ų | 91.2 | 34% | 0.336 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.7 | -43.8 | 176.2 | -72.2 | -71.1 | 22.5 | 0 | 0 | 111.7 | Y87 N88 I89 L93 K94 T95 | Y87-Q91 HydrophobicContact CD1-CG 4.2Å; Y87-Q91 HydrophobicContact CE1-CG 3.8Å; Y87-Q91 HydrophobicContact CE2-CG 4.27Å; Y87-Q91 WeakPolarHBondContact O-CG 3.47Å; Y87-Q91 PolarHBondContact O-N 3.1Å; Y87-Q91 PolarHBondContact OH-NE2 2.95Å; N88-Q91 PolarHBondContact O-N 2.78Å; I89-Q91 VanDerWaalsContact C-N 3.34Å; I89-Q91 PolarHBondContact O-N 2.87Å; Q91-L93 VanDerWaalsContact C-N 3.35Å; Q91-L93 PolarHBondContact O-N 2.84Å; Q91-K94 PolarHBondContact O-N 3.32Å; Q91-T95 PolarHBondContact O-N 2.84Å; Q91-T95 PolarHBondContact O-OG1 3.22Å; Q91-T95 VanDerWaalsContact O-OG1 3.09Å |
| 92 | A | 75.1 | Confident | 74 | Confident | 54 Ų | 54 | 92 Ų | 92 | 45% | 0.446 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.3 | -46.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | N88 I89 K94 T95 D96 | N88-A92 WeakPolarHBondContact O-CB 2.99Å; N88-A92 PolarHBondContact O-N 2.89Å; I89-A92 PolarHBondContact O-N 2.77Å; A92-K94 PolarHBondContact O-N 3.44Å; A92-T95 WeakPolarHBondContact CA-OG1 3.09Å; A92-T95 PolarHBondContact O-N 2.81Å; A92-T95 PolarHBondContact O-OG1 3.26Å; A92-D96 VanDerWaalsContact O-CB 3.28Å; A92-D96 WeakPolarHBondContact O-CB 3.44Å; A92-D96 PolarHBondContact O-N 3.18Å |
| 93 | L | 75 | Confident | 75.1 | Confident | 117 Ų | 117 | 94.2 Ų | 94.2 | 61% | 0.613 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.7 | -36.1 | 177.9 | -159 | 96.4 | 0 | 0 | 0 | 112.2 | I89 Q91 G97 | I89-L93 VanDerWaalsContact O-CB 3.31Å; I89-L93 WeakPolarHBondContact O-CB 3.21Å; I89-L93 PolarHBondContact O-N 3.47Å; Q91-L93 VanDerWaalsContact C-N 3.35Å; Q91-L93 PolarHBondContact O-N 2.84Å; L93-G97 WeakPolarHBondContact O-CA 3.43Å; L93-G97 PolarHBondContact O-N 2.87Å |
| 94 | K | 77.5 | Confident | 76.3 | Confident | 115 Ų | 115 | 94.1 Ų | 94.1 | 50% | 0.5 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 172.4 | -85.2 | 175.8 | 179.4 | -179.1 | 0 | 111.2 | W90 Q91 A92 K98 | W90-K94 HydrophobicContact CE3-CD 3.82Å; W90-K94 HydrophobicContact CE3-CG 3.7Å; W90-K94 HydrophobicContact CZ3-CD 4Å; W90-K94 HydrophobicContact CZ3-CG 3.78Å; W90-K94 WeakPolarHBondContact O-CB 3.49Å; W90-K94 WeakPolarHBondContact O-CG 3.24Å; W90-K94 PolarHBondContact O-N 3.47Å; Q91-K94 PolarHBondContact O-N 3.32Å; A92-K94 PolarHBondContact O-N 3.44Å; K94-K98 WeakPolarHBondContact O-CB 3.13Å; K94-K98 PolarHBondContact O-N 2.72Å; K94-K98 VanDerWaalsContact O-N 3.1Å |
| 95 | T | 74.2 | Confident | 77.5 | Confident | 100 Ų | 100 | 94 Ų | 94 | 61% | 0.613 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -70 | -44.2 | -179.3 | 48.9 | 0 | 0 | 0 | 0 | 112.2 | Q91 A92 A99 | Q91-T95 PolarHBondContact O-N 2.84Å; Q91-T95 PolarHBondContact O-OG1 3.22Å; Q91-T95 VanDerWaalsContact O-OG1 3.09Å; A92-T95 WeakPolarHBondContact CA-OG1 3.09Å; A92-T95 PolarHBondContact O-N 2.81Å; A92-T95 PolarHBondContact O-OG1 3.26Å; T95-A99 PolarHBondContact O-N 2.96Å |
| 96 | D | 74.4 | Confident | 78.4 | Confident | 95 Ų | 95 | 97.9 Ų | 97.9 | 51% | 0.508 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -75.5 | -47.5 | -178.6 | -173.7 | 21.7 | 0 | 0 | 0 | 111.2 | A92 K98 A99 N100 | A92-D96 VanDerWaalsContact O-CB 3.28Å; A92-D96 WeakPolarHBondContact O-CB 3.44Å; A92-D96 PolarHBondContact O-N 3.18Å; D96-K98 VanDerWaalsContact C-N 3.3Å; D96-K98 PolarHBondContact O-N 2.93Å; D96-A99 PolarHBondContact O-N 3.47Å; D96-A99 VanDerWaalsContact O-N 3.15Å; D96-N100 WeakPolarHBondContact O-CB 3.31Å; D96-N100 VanDerWaalsContact O-CG 3.31Å; D96-N100 PolarHBondContact O-N 3.35Å; D96-N100 PolarHBondContact O-ND2 3.05Å; D96-N100 PolarHBondContact OD1-ND2 3.22Å |
| 97 | G | 77 | Confident | 79.1 | Confident | 33 Ų | 33 | 96.7 Ų | 96.7 | 34% | 0.34 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.6 | -37.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | L93 F101 | L93-G97 WeakPolarHBondContact O-CA 3.43Å; L93-G97 PolarHBondContact O-N 2.87Å; G97-F101 WeakPolarHBondContact O-CB 3.44Å; G97-F101 PolarHBondContact O-N 2.96Å |
| 98 | K | 76.4 | Confident | 79.8 | Confident | 126 Ų | 126 | 93.7 Ų | 93.7 | 55% | 0.548 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.8 | -44.8 | 175.2 | -175.9 | 176.7 | -172.7 | -177.3 | 0 | 111.6 | K94 D96 F101 Y102 | K94-K98 WeakPolarHBondContact O-CB 3.13Å; K94-K98 PolarHBondContact O-N 2.72Å; K94-K98 VanDerWaalsContact O-N 3.1Å; D96-K98 VanDerWaalsContact C-N 3.3Å; D96-K98 PolarHBondContact O-N 2.93Å; K98-F101 PolarHBondContact O-N 3.45Å; K98-Y102 HydrophobicContact CD-CE2 3.99Å; K98-Y102 VanDerWaalsContact CE-CE2 3.49Å; K98-Y102 WeakPolarHBondContact CE-OH 3.38Å; K98-Y102 HydrophobicContact CG-CD2 3.95Å; K98-Y102 HydrophobicContact CG-CE2 3.38Å; K98-Y102 WeakPolarHBondContact O-CD2 2.99Å; K98-Y102 PolarHBondContact O-N 3.39Å; K98-Y102 VanDerWaalsContact O-N 3.1Å |
| 99 | A | 75.5 | Confident | 80.3 | Confident | 46 Ų | 46 | 94.6 Ų | 94.6 | 38% | 0.38 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.6 | -48.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | T95 D96 F101 Y102 I103 | T95-A99 PolarHBondContact O-N 2.96Å; D96-A99 PolarHBondContact O-N 3.47Å; D96-A99 VanDerWaalsContact O-N 3.15Å; A99-F101 VanDerWaalsContact C-N 3.32Å; A99-F101 PolarHBondContact O-N 3.05Å; A99-Y102 PolarHBondContact O-N 3.41Å; A99-I103 WeakPolarHBondContact O-CD1 3.46Å; A99-I103 VanDerWaalsContact O-CG1 3.31Å; A99-I103 WeakPolarHBondContact O-CG1 3.04Å; A99-I103 PolarHBondContact O-N 2.9Å |
| 100 | N | 77.7 | Confident | 80.8 | Confident | 83 Ų | 83 | 92.8 Ų | 92.8 | 44% | 0.444 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.4 | -38.6 | 179 | -69.4 | -28.1 | 0 | 0 | 0 | 112.3 | D96 I103 L104 | D96-N100 WeakPolarHBondContact O-CB 3.31Å; D96-N100 VanDerWaalsContact O-CG 3.31Å; D96-N100 PolarHBondContact O-N 3.35Å; D96-N100 PolarHBondContact O-ND2 3.05Å; D96-N100 PolarHBondContact OD1-ND2 3.22Å; N100-I103 PolarHBondContact O-N 3.09Å; N100-L104 WeakPolarHBondContact O-CB 3.4Å; N100-L104 PolarHBondContact O-N 2.97Å |
| 101 | F | 80.2 | Confident | 81.4 | Confident | 78 Ų | 78 | 88.3 Ų | 88.3 | 34% | 0.342 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 176.9 | -170.6 | -83 | 0 | 0 | 0 | 112.1 | C14 G97 K98 A99 I103 L104 F105 | C14-F101 WeakPolarHBondContact SG-CE1 3.35Å; C14-F101 WeakPolarHBondContact SG-CZ 3.27Å; G97-F101 WeakPolarHBondContact O-CB 3.44Å; G97-F101 PolarHBondContact O-N 2.96Å; K98-F101 PolarHBondContact O-N 3.45Å; A99-F101 VanDerWaalsContact C-N 3.32Å; A99-F101 PolarHBondContact O-N 3.05Å; F101-I103 VanDerWaalsContact C-N 3.34Å; F101-I103 PolarHBondContact O-N 3.38Å; F101-L104 PolarHBondContact O-N 2.94Å; F101-F105 HydrophobicContact CE1-CB 4.33Å; F101-F105 WeakPolarHBondContact O-CB 3.03Å; F101-F105 PolarHBondContact O-N 3.05Å |
| 102 | Y | 81.1 | Confident | 82 | Confident | 143 Ų | 143 | 88.3 Ų | 88.3 | 56% | 0.561 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.9 | -40.6 | 176 | -72 | -54.5 | 0 | 0 | 0 | 112.5 | K98 A99 F105 F106 | K98-Y102 HydrophobicContact CD-CE2 3.99Å; K98-Y102 VanDerWaalsContact CE-CE2 3.49Å; K98-Y102 WeakPolarHBondContact CE-OH 3.38Å; K98-Y102 HydrophobicContact CG-CD2 3.95Å; K98-Y102 HydrophobicContact CG-CE2 3.38Å; K98-Y102 WeakPolarHBondContact O-CD2 2.99Å; K98-Y102 PolarHBondContact O-N 3.39Å; K98-Y102 VanDerWaalsContact O-N 3.1Å; A99-Y102 PolarHBondContact O-N 3.41Å; Y102-F105 PolarHBondContact O-N 3.07Å; Y102-F106 VanDerWaalsContact O-CB 3.24Å; Y102-F106 WeakPolarHBondContact O-CB 3.21Å; Y102-F106 PolarHBondContact O-N 2.79Å |
| 103 | I | 81.9 | Confident | 82.7 | Confident | 100 Ų | 100 | 89.5 Ų | 89.5 | 51% | 0.513 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.6 | -48.5 | 176.4 | -67.3 | 160.8 | 0 | 0 | 0 | 109.7 | A99 N100 F101 F105 F106 T107 | A99-I103 WeakPolarHBondContact O-CD1 3.46Å; A99-I103 VanDerWaalsContact O-CG1 3.31Å; A99-I103 WeakPolarHBondContact O-CG1 3.04Å; A99-I103 PolarHBondContact O-N 2.9Å; N100-I103 PolarHBondContact O-N 3.09Å; F101-I103 VanDerWaalsContact C-N 3.34Å; F101-I103 PolarHBondContact O-N 3.38Å; I103-F105 PolarHBondContact O-N 3.03Å; I103-F106 PolarHBondContact O-N 2.85Å; I103-T107 PolarHBondContact O-N 2.92Å; I103-T107 PolarHBondContact O-OG1 2.95Å; I103-T107 VanDerWaalsContact O-OG1 3.05Å |
| 104 | L | 85.8 | Confident | 83.4 | Confident | 101 Ų | 101 | 87.5 Ų | 87.5 | 53% | 0.529 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -57.8 | -48.8 | 177.8 | -179.6 | 67.3 | 0 | 0 | 0 | 111.9 | N100 F101 F106 T107 I108 | N100-L104 WeakPolarHBondContact O-CB 3.4Å; N100-L104 PolarHBondContact O-N 2.97Å; F101-L104 PolarHBondContact O-N 2.94Å; L104-F106 VanDerWaalsContact C-N 3.33Å; L104-F106 PolarHBondContact O-N 2.72Å; L104-T107 PolarHBondContact O-N 2.64Å; L104-I108 HydrophobicContact CD1-CD1 4.09Å; L104-I108 HydrophobicContact CG-CD1 3.98Å; L104-I108 WeakPolarHBondContact O-CG1 3.28Å; L104-I108 PolarHBondContact O-N 3.28Å |
| 105 | F | 85.4 | Confident | 84.1 | Confident | 61 Ų | 61 | 90.5 Ų | 90.5 | 27% | 0.268 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 179.2 | -171.9 | -92.5 | 0 | 0 | 0 | 111.6 | I7 L11 F101 Y102 I103 I108 Y109 | I7-F105 HydrophobicContact CG2-CE2 4.12Å; I7-F105 HydrophobicContact CG2-CZ 3.96Å; L11-F105 HydrophobicContact CD2-CZ 4.35Å; L11-F105 HydrophobicContact CG-CE2 4.23Å; L11-F105 HydrophobicContact CG-CZ 4.2Å; F101-F105 HydrophobicContact CE1-CB 4.33Å; F101-F105 WeakPolarHBondContact O-CB 3.03Å; F101-F105 PolarHBondContact O-N 3.05Å; Y102-F105 PolarHBondContact O-N 3.07Å; I103-F105 PolarHBondContact O-N 3.03Å; F105-I108 PolarHBondContact O-N 3.2Å; F105-Y109 VanDerWaalsContact O-CB 3.32Å; F105-Y109 WeakPolarHBondContact O-CB 3.41Å; F105-Y109 PolarHBondContact O-N 3.23Å |
| 106 | F | 88.2 | Confident | 84.8 | Confident | 128 Ų | 128 | 90.1 Ų | 90.1 | 56% | 0.561 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.1 | -45.4 | 177 | -176.7 | -99.5 | 0 | 0 | 0 | 111.8 | Y102 I103 L104 I108 Y109 I110 | Y102-F106 VanDerWaalsContact O-CB 3.24Å; Y102-F106 WeakPolarHBondContact O-CB 3.21Å; Y102-F106 PolarHBondContact O-N 2.79Å; I103-F106 PolarHBondContact O-N 2.85Å; L104-F106 VanDerWaalsContact C-N 3.33Å; L104-F106 PolarHBondContact O-N 2.72Å; F106-I108 PolarHBondContact O-N 3.02Å; F106-Y109 PolarHBondContact O-N 3Å; F106-I110 HydrophobicContact CD1-CG1 4.12Å; F106-I110 HydrophobicContact CD2-CG1 4.44Å; F106-I110 HydrophobicContact CE1-CD1 4.38Å; F106-I110 HydrophobicContact CE1-CG1 3.73Å; F106-I110 HydrophobicContact CE2-CD1 4.11Å; F106-I110 HydrophobicContact CE2-CG1 4.08Å; F106-I110 HydrophobicContact CG-CG1 4.46Å; F106-I110 HydrophobicContact CZ-CD1 3.86Å; F106-I110 HydrophobicContact CZ-CG1 3.71Å; F106-I110 WeakPolarHBondContact O-CG1 3.31Å; F106-I110 PolarHBondContact O-N 3.16Å |
| 107 | T | 89 | Confident | 85.3 | Confident | 74 Ų | 74 | 91.9 Ų | 91.9 | 45% | 0.454 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 177.9 | -60.6 | 0 | 0 | 0 | 0 | 112 | I103 L104 S111 | I103-T107 PolarHBondContact O-N 2.92Å; I103-T107 PolarHBondContact O-OG1 2.95Å; I103-T107 VanDerWaalsContact O-OG1 3.05Å; L104-T107 PolarHBondContact O-N 2.64Å; T107-S111 WeakPolarHBondContact O-CB 3.45Å; T107-S111 PolarHBondContact O-N 2.85Å; T107-S111 PolarHBondContact O-OG 3.18Å |
| 108 | I | 89.9 | Confident | 85 | Confident | 78 Ų | 78 | 100.4 Ų | 100.4 | 40% | 0.4 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 177 | -66.7 | 164.9 | 0 | 0 | 0 | 110.4 | L104 F105 F106 S111 Y112 | L104-I108 HydrophobicContact CD1-CD1 4.09Å; L104-I108 HydrophobicContact CG-CD1 3.98Å; L104-I108 WeakPolarHBondContact O-CG1 3.28Å; L104-I108 PolarHBondContact O-N 3.28Å; F105-I108 PolarHBondContact O-N 3.2Å; F106-I108 PolarHBondContact O-N 3.02Å; I108-S111 PolarHBondContact O-N 3.13Å; I108-Y112 WeakPolarHBondContact O-CB 3.35Å; I108-Y112 PolarHBondContact O-N 3.02Å |
| 109 | Y | 89.9 | Confident | 85.4 | Confident | 112 Ų | 112 | 99.1 Ų | 99.1 | 44% | 0.439 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.6 | -46.9 | 179.2 | 178.8 | -99.7 | 0 | 0 | 0 | 112.4 | F105 F106 Y112 L113 | F105-Y109 VanDerWaalsContact O-CB 3.32Å; F105-Y109 WeakPolarHBondContact O-CB 3.41Å; F105-Y109 PolarHBondContact O-N 3.23Å; F106-Y109 PolarHBondContact O-N 3Å; Y109-Y112 PolarHBondContact O-N 2.72Å; Y109-L113 HydrophobicContact CE1-CD1 3.98Å; Y109-L113 WeakPolarHBondContact O-CB 3.35Å; Y109-L113 PolarHBondContact O-N 2.91Å |
| 110 | I | 88.5 | Confident | 85.9 | Confident | 69 Ų | 69 | 101.9 Ų | 101.9 | 35% | 0.354 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 176.6 | -65.7 | -63.9 | 0 | 0 | 0 | 110.8 | F106 Y112 L113 V114 | F106-I110 HydrophobicContact CD1-CG1 4.12Å; F106-I110 HydrophobicContact CD2-CG1 4.44Å; F106-I110 HydrophobicContact CE1-CD1 4.38Å; F106-I110 HydrophobicContact CE1-CG1 3.73Å; F106-I110 HydrophobicContact CE2-CD1 4.11Å; F106-I110 HydrophobicContact CE2-CG1 4.08Å; F106-I110 HydrophobicContact CG-CG1 4.46Å; F106-I110 HydrophobicContact CZ-CD1 3.86Å; F106-I110 HydrophobicContact CZ-CG1 3.71Å; F106-I110 WeakPolarHBondContact O-CG1 3.31Å; F106-I110 PolarHBondContact O-N 3.16Å; I110-Y112 VanDerWaalsContact C-N 3.27Å; I110-Y112 PolarHBondContact O-N 2.92Å; I110-L113 PolarHBondContact O-N 2.91Å; I110-L113 VanDerWaalsContact O-N 3.16Å; I110-V114 HydrophobicContact CG2-CG2 4.43Å; I110-V114 WeakPolarHBondContact O-CG2 3.32Å; I110-V114 PolarHBondContact O-N 3.37Å |
| 111 | S | 90 | Very high | 86.4 | Confident | 70 Ų | 70 | 102.9 Ų | 102.9 | 49% | 0.49 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.7 | -40.3 | 177.3 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | T107 I108 Y115 | T107-S111 WeakPolarHBondContact O-CB 3.45Å; T107-S111 PolarHBondContact O-N 2.85Å; T107-S111 PolarHBondContact O-OG 3.18Å; I108-S111 PolarHBondContact O-N 3.13Å; S111-Y115 WeakPolarHBondContact O-CB 3.46Å; S111-Y115 PolarHBondContact O-N 2.7Å |
| 112 | Y | 89.6 | Confident | 86.7 | Confident | 71 Ų | 71 | 104.4 Ų | 104.4 | 28% | 0.278 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.4 | -42.9 | 174.5 | 174.1 | -109.5 | 0 | 0 | 0 | 112.6 | S3 I7 I108 Y109 I110 V114 Y115 V116 | S3-Y112 VanDerWaalsContact OG-CD2 3.24Å; S3-Y112 WeakPolarHBondContact OG-CD2 3.39Å; S3-Y112 WeakPolarHBondContact OG-CE2 2.76Å; I7-Y112 HydrophobicContact CD1-CD1 4.16Å; I7-Y112 HydrophobicContact CD1-CG 4.43Å; I108-Y112 WeakPolarHBondContact O-CB 3.35Å; I108-Y112 PolarHBondContact O-N 3.02Å; Y109-Y112 PolarHBondContact O-N 2.72Å; I110-Y112 VanDerWaalsContact C-N 3.27Å; I110-Y112 PolarHBondContact O-N 2.92Å; Y112-V114 VanDerWaalsContact C-N 3.32Å; Y112-V114 PolarHBondContact O-N 3.35Å; Y112-Y115 WeakPolarHBondContact O-CB 3.44Å; Y112-Y115 PolarHBondContact O-N 2.71Å; Y112-Y115 VanDerWaalsContact O-N 3.16Å; Y112-V116 HydrophobicContact CD2-CG2 3.99Å; Y112-V116 HydrophobicContact CE1-CG2 4.01Å; Y112-V116 HydrophobicContact CE2-CG2 3.37Å; Y112-V116 VanDerWaalsContact CZ-CG2 3.43Å; Y112-V116 WeakPolarHBondContact O-CG2 3.38Å; Y112-V116 PolarHBondContact O-N 3.39Å |
| 113 | L | 89.6 | Confident | 87.1 | Confident | 79 Ų | 79 | 102 Ų | 102 | 41% | 0.414 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 178.5 | -158.4 | 162.5 | 0 | 0 | 0 | 110.7 | Y109 I110 Y115 V116 L117 | Y109-L113 HydrophobicContact CE1-CD1 3.98Å; Y109-L113 WeakPolarHBondContact O-CB 3.35Å; Y109-L113 PolarHBondContact O-N 2.91Å; I110-L113 PolarHBondContact O-N 2.91Å; I110-L113 VanDerWaalsContact O-N 3.16Å; L113-Y115 PolarHBondContact O-N 3.18Å; L113-V116 PolarHBondContact O-N 2.74Å; L113-L117 WeakPolarHBondContact O-CB 3.34Å; L113-L117 PolarHBondContact O-N 2.68Å |
| 114 | V | 90.1 | Very high | 87.4 | Confident | 76 Ų | 76 | 102.1 Ų | 102.1 | 46% | 0.461 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 173.5 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | I110 Y112 V116 L117 F118 | I110-V114 HydrophobicContact CG2-CG2 4.43Å; I110-V114 WeakPolarHBondContact O-CG2 3.32Å; I110-V114 PolarHBondContact O-N 3.37Å; Y112-V114 VanDerWaalsContact C-N 3.32Å; Y112-V114 PolarHBondContact O-N 3.35Å; V114-V116 VanDerWaalsContact C-N 3.29Å; V114-V116 PolarHBondContact O-N 3.4Å; V114-L117 PolarHBondContact O-N 3.2Å; V114-F118 HydrophobicContact CG1-CD2 4.12Å; V114-F118 HydrophobicContact CG1-CE2 4.49Å; V114-F118 WeakPolarHBondContact O-CD2 3.31Å; V114-F118 PolarHBondContact O-N 3.23Å |
| 115 | Y | 91.1 | Very high | 87.5 | Confident | 178 Ų | 178 | 102.2 Ų | 102.2 | 70% | 0.698 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.2 | -28.8 | 178.8 | 176.3 | -99.4 | 0 | 0 | 0 | 114.2 | S111 Y112 L113 F118 | S111-Y115 WeakPolarHBondContact O-CB 3.46Å; S111-Y115 PolarHBondContact O-N 2.7Å; Y112-Y115 WeakPolarHBondContact O-CB 3.44Å; Y112-Y115 PolarHBondContact O-N 2.71Å; Y112-Y115 VanDerWaalsContact O-N 3.16Å; L113-Y115 PolarHBondContact O-N 3.18Å; Y115-F118 VanDerWaalsContact O-OXT 3.05Å |
| 116 | V | 89.7 | Confident | 87.7 | Confident | 91 Ų | 91 | 105.4 Ų | 105.4 | 55% | 0.552 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -85.8 | -28.4 | 177.9 | 172.1 | 0 | 0 | 0 | 0 | 112 | Y112 L113 V114 | Y112-V116 HydrophobicContact CD2-CG2 3.99Å; Y112-V116 HydrophobicContact CE1-CG2 4.01Å; Y112-V116 HydrophobicContact CE2-CG2 3.37Å; Y112-V116 VanDerWaalsContact CZ-CG2 3.43Å; Y112-V116 WeakPolarHBondContact O-CG2 3.38Å; Y112-V116 PolarHBondContact O-N 3.39Å; L113-V116 PolarHBondContact O-N 2.74Å; V114-V116 VanDerWaalsContact C-N 3.29Å; V114-V116 PolarHBondContact O-N 3.4Å |
| 117 | L | 85.2 | Confident | 87.7 | Confident | 132 Ų | 132 | 103.5 Ų | 103.5 | 69% | 0.691 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -78.1 | -24.9 | -177.8 | -169.7 | 64.6 | 0 | 0 | 0 | 112.9 | L113 V114 | L113-L117 WeakPolarHBondContact O-CB 3.34Å; L113-L117 PolarHBondContact O-N 2.68Å; V114-L117 PolarHBondContact O-N 3.2Å |
| 118 | F | 69.4 | Low | 87.5 | Confident | 212 Ų | 212 | 106.2 Ų | 106.2 | 93% | 0.93 | 52% | 0.519 | S | S | * | . | trans | -112 | 0 | 178.3 | -73.1 | -80.2 | 0 | 0 | 0 | 111.3 | V114 Y115 | V114-F118 HydrophobicContact CG1-CD2 4.12Å; V114-F118 HydrophobicContact CG1-CE2 4.49Å; V114-F118 WeakPolarHBondContact O-CD2 3.31Å; V114-F118 PolarHBondContact O-N 3.23Å; Y115-F118 VanDerWaalsContact O-OXT 3.05Å |
Retrieved 118 of 118 residues in 28.5 ms
(Link to these results)