| 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 | 36.3 | Very low | 43.5 | Very low | 240 Ų | 240 | 124.2 Ų | 124.2 | 100% | 1.182 | 65% | 0.651 | S | S | * | * | 0 | 66 | 0 | -77.9 | 173.4 | 167.4 | 0 | 0 | 106.5 | |||||
| 2 | E | 37.6 | Very low | 44.2 | Very low | 188 Ų | 188 | 123.5 Ų | 123.5 | 88% | 0.879 | 65% | 0.647 | S | S | * | * | trans | -135.9 | 13.9 | -179.3 | -81.7 | 179.1 | 168.6 | 0 | 0 | 110.6 | ||||
| 3 | T | 38.4 | Very low | 45 | Very low | 111 Ų | 111 | 119.3 Ų | 119.3 | 68% | 0.681 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -105.2 | -3 | -175.6 | 48 | 0 | 0 | 0 | 0 | 113.6 | ||
| 4 | D | 41 | Very low | 45.6 | Very low | 121 Ų | 121 | 122.7 Ų | 122.7 | 65% | 0.647 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -94.4 | -20.1 | -178.2 | -90.7 | -8.5 | 0 | 0 | 0 | 113.7 | ||
| 5 | N | 42.8 | Very low | 46.2 | Very low | 120 Ų | 120 | 123.9 Ų | 123.9 | 64% | 0.642 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -81.9 | -22.2 | -175.5 | -78.6 | 7.7 | 0 | 0 | 0 | 114 | I9 | N5-I9 WeakPolarHBondContact O-CD1 3.14Å; N5-I9 VanDerWaalsContact O-CG1 3.24Å; N5-I9 WeakPolarHBondContact O-CG1 3.05Å; N5-I9 PolarHBondContact O-N 3.36Å |
| 6 | S | 39.8 | Very low | 47.4 | Very low | 68 Ų | 68 | 119.9 Ų | 119.9 | 48% | 0.476 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -77.7 | -37.4 | -178.9 | 59.7 | 0 | 0 | 0 | 0 | 112.7 | D8 I9 E10 | S6-D8 VanDerWaalsContact C-N 3.35Å; S6-I9 PolarHBondContact O-N 2.86Å; S6-E10 WeakPolarHBondContact O-CB 3.38Å; S6-E10 WeakPolarHBondContact O-CG 3.41Å; S6-E10 PolarHBondContact O-N 3.12Å |
| 7 | E | 40.7 | Very low | 48.7 | Very low | 137 Ų | 137 | 121.6 Ų | 121.6 | 64% | 0.64 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.5 | -34.1 | 176.5 | -72 | -174.2 | 167.3 | 0 | 0 | 111.6 | S11 | E7-S11 WeakPolarHBondContact O-CB 3.49Å; E7-S11 PolarHBondContact O-N 3.15Å; E7-S11 VanDerWaalsContact O-N 3.1Å; E7-S11 PolarHBondContact O-OG 3.4Å |
| 8 | D | 50.3 | Low | 50.8 | Low | 103 Ų | 103 | 116.2 Ų | 116.2 | 55% | 0.551 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -70.4 | -36.8 | 174.6 | -86.9 | -14.1 | 0 | 0 | 0 | 112.3 | S6 S11 L12 | S6-D8 VanDerWaalsContact C-N 3.35Å; D8-S11 PolarHBondContact O-OG 3.02Å; D8-S11 VanDerWaalsContact O-OG 3.06Å; D8-L12 WeakPolarHBondContact O-CB 3.48Å; D8-L12 VanDerWaalsContact O-CD1 3.29Å; D8-L12 WeakPolarHBondContact O-CD1 3.32Å; D8-L12 WeakPolarHBondContact O-CG 3.4Å; D8-L12 PolarHBondContact O-N 3.16Å; D8-L12 VanDerWaalsContact O-N 3.13Å |
| 9 | I | 51.8 | Low | 53 | Low | 99 Ų | 99 | 113.2 Ų | 113.2 | 51% | 0.508 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -73.3 | -42 | 176.7 | -67.1 | 166.5 | 0 | 0 | 0 | 111.3 | N5 S6 L12 I13 | N5-I9 WeakPolarHBondContact O-CD1 3.14Å; N5-I9 VanDerWaalsContact O-CG1 3.24Å; N5-I9 WeakPolarHBondContact O-CG1 3.05Å; N5-I9 PolarHBondContact O-N 3.36Å; S6-I9 PolarHBondContact O-N 2.86Å; I9-L12 PolarHBondContact O-N 3.28Å; I9-I13 HydrophobicContact CG2-CD1 3.67Å; I9-I13 HydrophobicContact CG2-CG1 4.34Å; I9-I13 WeakPolarHBondContact O-CB 3.24Å; I9-I13 WeakPolarHBondContact O-CD1 3.38Å; I9-I13 WeakPolarHBondContact O-CG1 3.45Å; I9-I13 PolarHBondContact O-N 2.77Å |
| 10 | E | 50 | Low | 55.1 | Low | 129 Ų | 129 | 108.2 Ų | 108.2 | 60% | 0.603 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.1 | -41.8 | 177.3 | -78.3 | 179.9 | 173.9 | 0 | 0 | 111.9 | S6 I13 E14 | S6-E10 WeakPolarHBondContact O-CB 3.38Å; S6-E10 WeakPolarHBondContact O-CG 3.41Å; S6-E10 PolarHBondContact O-N 3.12Å; E10-I13 PolarHBondContact O-N 3.28Å; E10-E14 WeakPolarHBondContact O-CG 3.42Å; E10-E14 PolarHBondContact O-N 3.29Å |
| 11 | S | 49.6 | Very low | 57.1 | Low | 50 Ų | 50 | 103.1 Ų | 103.1 | 35% | 0.35 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.2 | -36 | 175.4 | 60.7 | 0 | 0 | 0 | 0 | 113.4 | E7 D8 I13 E14 D15 | E7-S11 WeakPolarHBondContact O-CB 3.49Å; E7-S11 PolarHBondContact O-N 3.15Å; E7-S11 VanDerWaalsContact O-N 3.1Å; E7-S11 PolarHBondContact O-OG 3.4Å; D8-S11 PolarHBondContact O-OG 3.02Å; D8-S11 VanDerWaalsContact O-OG 3.06Å; S11-I13 VanDerWaalsContact C-N 3.34Å; S11-E14 PolarHBondContact O-N 2.95Å; S11-D15 PolarHBondContact O-N 3.01Å |
| 12 | L | 52 | Low | 60 | Low | 116 Ų | 116 | 91.7 Ų | 91.7 | 61% | 0.607 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.6 | -33.9 | 172.4 | -74.8 | 166.7 | 0 | 0 | 0 | 112.6 | D8 I9 | D8-L12 WeakPolarHBondContact O-CB 3.48Å; D8-L12 VanDerWaalsContact O-CD1 3.29Å; D8-L12 WeakPolarHBondContact O-CD1 3.32Å; D8-L12 WeakPolarHBondContact O-CG 3.4Å; D8-L12 PolarHBondContact O-N 3.16Å; D8-L12 VanDerWaalsContact O-N 3.13Å; I9-L12 PolarHBondContact O-N 3.28Å |
| 13 | I | 55.1 | Low | 62.8 | Low | 69 Ų | 69 | 84.1 Ų | 84.1 | 35% | 0.354 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -71.3 | -36.5 | 174.8 | -69.7 | 166.5 | 0 | 0 | 0 | 111.2 | I9 E10 S11 D15 M16 I19 | I9-I13 HydrophobicContact CG2-CD1 3.67Å; I9-I13 HydrophobicContact CG2-CG1 4.34Å; I9-I13 WeakPolarHBondContact O-CB 3.24Å; I9-I13 WeakPolarHBondContact O-CD1 3.38Å; I9-I13 WeakPolarHBondContact O-CG1 3.45Å; I9-I13 PolarHBondContact O-N 2.77Å; E10-I13 PolarHBondContact O-N 3.28Å; S11-I13 VanDerWaalsContact C-N 3.34Å; I13-D15 VanDerWaalsContact C-N 3.26Å; I13-D15 PolarHBondContact O-N 3.15Å; I13-M16 HydrophobicContact CB-CE 4.31Å; I13-M16 HydrophobicContact CG1-CE 3.83Å; I13-M16 PolarHBondContact O-N 3.15Å; I13-M16 VanDerWaalsContact O-N 3.15Å; I13-I19 HydrophobicContact CG2-CD1 3.5Å; I13-I19 HydrophobicContact CG2-CG1 4.3Å |
| 14 | E | 52.8 | Low | 65.5 | Low | 167 Ų | 167 | 82.8 Ų | 82.8 | 78% | 0.78 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.1 | -30.5 | 175.8 | -77.6 | -174.6 | 167.3 | 0 | 0 | 113.1 | E10 S11 M16 | E10-E14 WeakPolarHBondContact O-CG 3.42Å; E10-E14 PolarHBondContact O-N 3.29Å; S11-E14 PolarHBondContact O-N 2.95Å; E14-M16 VanDerWaalsContact C-N 3.35Å |
| 15 | D | 54.4 | Low | 68.1 | Low | 141 Ų | 141 | 77.6 Ų | 77.6 | 75% | 0.754 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -12.6 | 176.6 | -77.4 | -23.4 | 0 | 0 | 0 | 113.4 | S11 I13 | S11-D15 PolarHBondContact O-N 3.01Å; I13-D15 VanDerWaalsContact C-N 3.26Å; I13-D15 PolarHBondContact O-N 3.15Å |
| 16 | M | 65.1 | Low | 70.4 | Confident | 59 Ų | 59 | 78.2 Ų | 78.2 | 29% | 0.291 | 40% | 0.396 | S | S | . | . | trans | -78.3 | 124.6 | 177.7 | -74 | -161.9 | -78.2 | 0 | 0 | 112.1 | I13 E14 Y18 I19 M128 M130 | I13-M16 HydrophobicContact CB-CE 4.31Å; I13-M16 HydrophobicContact CG1-CE 3.83Å; I13-M16 PolarHBondContact O-N 3.15Å; I13-M16 VanDerWaalsContact O-N 3.15Å; E14-M16 VanDerWaalsContact C-N 3.35Å; M16-Y18 PolarHBondContact O-N 3.42Å; M16-I19 HydrophobicContact CE-CG1 4.41Å; M16-M128 HydrophobicContact SD-CE 4.16Å; M16-M130 HydrophobicContact SD-CE 4.07Å | ||
| 17 | Q | 70.8 | Confident | 73 | Confident | 150 Ų | 150 | 75 Ų | 75 | 70% | 0.701 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -63.4 | -26.1 | 178.5 | -87.6 | -179.6 | 20.1 | 0 | 0 | 114.3 | Y184 | Q17-Y184 HydrophobicContact CB-CE1 4.47Å; Q17-Y184 VanDerWaalsContact CB-OH 3.26Å; Q17-Y184 WeakPolarHBondContact CB-OH 3.45Å; Q17-Y184 WeakPolarHBondContact CG-OH 3.46Å; Q17-Y184 VanDerWaalsContact OE1-CE1 3.28Å; Q17-Y184 PolarHBondContact OE1-OH 3.4Å |
| 18 | Y | 85.6 | Confident | 75.4 | Confident | 24 Ų | 24 | 70 Ų | 70 | 9% | 0.094 | 35% | 0.351 | C | S | . | . | trans | -160.5 | 155.6 | 172.4 | 67.6 | -77.6 | 0 | 0 | 0 | 108.6 | M16 P20 L98 M128 A144 C147 | M16-Y18 PolarHBondContact O-N 3.42Å; Y18-P20 HydrophobicContact CD2-CG 4.37Å; Y18-P20 HydrophobicContact CE2-CG 3.98Å; Y18-L98 HydrophobicContact CE2-CD1 3.95Å; Y18-L98 WeakPolarHBondContact OH-CD1 3.21Å; Y18-M128 HydrophobicContact CE1-CE 4.24Å; Y18-M128 HydrophobicContact CE2-CE 4.36Å; Y18-A144 HydrophobicContact CD1-CB 4.12Å; Y18-A144 HydrophobicContact CE1-CB 3.37Å; Y18-A144 HydrophobicContact CE2-CB 4.1Å; Y18-A144 WeakPolarHBondContact OH-CB 3.18Å; Y18-C147 HydrophobicContact CD2-CB 4.49Å; Y18-C147 HydrophobicContact CE2-CB 4.16Å | ||
| 19 | I | 92.3 | Very high | 77.3 | Confident | 58 Ų | 58 | 65.4 Ų | 65.4 | 30% | 0.297 | 33% | 0.326 | S | S | . | . | trans | -113.5 | 124.8 | 177.8 | -55.4 | 167.4 | 0 | 0 | 0 | 106.8 | I13 M16 H24 Q151 | I13-I19 HydrophobicContact CG2-CD1 3.5Å; I13-I19 HydrophobicContact CG2-CG1 4.3Å; M16-I19 HydrophobicContact CE-CG1 4.41Å; I19-H24 PolarHBondContact O-CE1 3.33Å; I19-H24 PolarHBondContact O-NE2 3.46Å; I19-Q151 PolarHBondContact O-NE2 3.13Å | ||
| 20 | P | 95.8 | Very high | 79.2 | Confident | 13 Ų | 13 | 62.7 Ų | 62.7 | 8% | 0.084 | 31% | 0.313 | C | S | . | . | trans | -70.2 | 153.1 | 172.5 | -25.3 | 37 | 0 | 0 | 0 | 113.9 | Y18 L98 A102 V124 M128 | Y18-P20 HydrophobicContact CD2-CG 4.37Å; Y18-P20 HydrophobicContact CE2-CG 3.98Å; P20-L98 HydrophobicContact CB-CB 4.02Å; P20-L98 HydrophobicContact CG-CB 4.18Å; P20-L98 HydrophobicContact CG-CD2 4.36Å; P20-A102 HydrophobicContact CB-CB 3.85Å; P20-A102 WeakPolarHBondContact O-CB 3.48Å; P20-V124 HydrophobicContact CB-CG1 4.33Å; P20-V124 HydrophobicContact CG-CG1 3.92Å; P20-M128 HydrophobicContact CG-SD 3.77Å | ||
| 21 | G | 96.8 | Very high | 81.1 | Confident | 3 Ų | 3 | 60 Ų | 60 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | S | Bend | trans | 104.6 | 177.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | H24 N99 N103 Q151 | G21-H24 PolarHBondContact O-NE2 3.11Å; G21-H24 VanDerWaalsContact O-NE2 3.16Å; G21-N99 PolarHBondContact N-OD1 3.08Å; G21-N103 WeakPolarHBondContact CA-OD1 3.3Å; G21-Q151 PolarHBondContact O-NE2 2.95Å |
| 22 | H | 97.7 | Very high | 82.8 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -119.6 | -20.6 | -173.5 | -69.5 | 79.7 | 0 | 0 | 0 | 113.5 | H24 L25 N30 L72 N99 N103 V154 | H22-H24 VanDerWaalsContact C-N 3.29Å; H22-H24 PolarHBondContact O-N 3.44Å; H22-L25 HydrophobicContact CB-CD1 4.25Å; H22-L25 WeakPolarHBondContact O-CB 3.49Å; H22-L25 PolarHBondContact O-N 3.02Å; H22-N30 PolarHBondContact O-ND2 3.26Å; H22-L72 HydrophobicContact CB-CD1 4.27Å; H22-L72 HydrophobicContact CB-CD2 4.11Å; H22-N99 VanDerWaalsContact CE1-CG 3.5Å; H22-N103 PolarHBondContact N-OD1 2.92Å; H22-N103 PolarHBondContact ND1-ND2 3.17Å; H22-V154 VanDerWaalsContact CD2-CG2 3.45Å; H22-V154 WeakPolarHBondContact CD2-CG2 3.42Å |
| 23 | F | 96.4 | Very high | 84.2 | Confident | 28 Ų | 28 | 62 Ų | 62 | 12% | 0.123 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -22.5 | -176.8 | -65.8 | -73.6 | 0 | 0 | 0 | 113.8 | N30 L72 F75 F87 N103 F106 | F23-N30 PolarHBondContact O-ND2 3.26Å; F23-L72 HydrophobicContact CD1-CD1 3.69Å; F23-L72 HydrophobicContact CE1-CD1 3.44Å; F23-L72 VanDerWaalsContact CE1-CD1 3.44Å; F23-L72 HydrophobicContact CG-CD1 4.4Å; F23-L72 HydrophobicContact CZ-CD1 3.99Å; F23-F75 HydrophobicContact CD1-CD1 4.33Å; F23-F75 HydrophobicContact CD1-CE1 4.4Å; F23-F75 HydrophobicContact CE1-CB 4.02Å; F23-F75 AromaticContact CE1-CD1 3.39Å; F23-F75 HydrophobicContact CE1-CD1 3.39Å; F23-F75 HydrophobicContact CE1-CD2 4.13Å; F23-F75 AromaticContact CE1-CE1 3.8Å; F23-F75 HydrophobicContact CE1-CE1 3.8Å; F23-F75 HydrophobicContact CE1-CE2 4.46Å; F23-F75 AromaticContact CE1-CG 3.57Å; F23-F75 HydrophobicContact CE1-CG 3.57Å; F23-F75 HydrophobicContact CE1-CZ 4.32Å; F23-F75 HydrophobicContact CZ-CB 3.95Å; F23-F75 HydrophobicContact CZ-CD1 4.03Å; F23-F75 AromaticContact CZ-CD2 3.95Å; F23-F75 HydrophobicContact CZ-CD2 3.95Å; F23-F75 HydrophobicContact CZ-CE2 4.45Å; F23-F75 AromaticContact CZ-CG 3.7Å; F23-F75 HydrophobicContact CZ-CG 3.7Å; F23-F87 HydrophobicContact CE2-CE2 4.41Å; F23-F87 HydrophobicContact CZ-CE2 4.43Å; F23-N103 HydrophobicContact CE2-CB 4.1Å; F23-F106 HydrophobicContact CB-CD1 4.1Å; F23-F106 HydrophobicContact CB-CD2 4.02Å; F23-F106 HydrophobicContact CB-CE1 4.04Å; F23-F106 HydrophobicContact CB-CE2 3.97Å; F23-F106 HydrophobicContact CB-CG 4.09Å; F23-F106 HydrophobicContact CB-CZ 3.97Å; F23-F106 AromaticContact CD1-CD1 3.73Å; F23-F106 HydrophobicContact CD1-CD1 3.73Å; F23-F106 AromaticContact CD1-CE1 3.52Å; F23-F106 HydrophobicContact CD1-CE1 3.52Å; F23-F106 HydrophobicContact CD1-CZ 4.17Å; F23-F106 HydrophobicContact CD2-CB 3.64Å; F23-F106 AromaticContact CD2-CD1 3.28Å; F23-F106 HydrophobicContact CD2-CD1 3.28Å; F23-F106 HydrophobicContact CD2-CD2 4.2Å; F23-F106 AromaticContact CD2-CE1 3.94Å; F23-F106 HydrophobicContact CD2-CE1 3.94Å; F23-F106 AromaticContact CD2-CG 3.43Å; F23-F106 HydrophobicContact CD2-CG 3.43Å; F23-F106 VanDerWaalsContact CD2-CG 3.43Å; F23-F106 AromaticContact CE1-CD1 3.91Å; F23-F106 HydrophobicContact CE1-CD1 3.91Å; F23-F106 AromaticContact CE1-CE1 3.88Å; F23-F106 HydrophobicContact CE1-CE1 3.88Å; F23-F106 HydrophobicContact CE2-CB 3.94Å; F23-F106 AromaticContact CE2-CD1 3.46Å; F23-F106 HydrophobicContact CE2-CD1 3.46Å; F23-F106 VanDerWaalsContact CE2-CD1 3.46Å; F23-F106 HydrophobicContact CE2-CE1 4.25Å; F23-F106 AromaticContact CE2-CG 3.93Å; F23-F106 HydrophobicContact CE2-CG 3.93Å; F23-F106 HydrophobicContact CG-CB 4.44Å; F23-F106 AromaticContact CG-CD1 3.41Å; F23-F106 HydrophobicContact CG-CD1 3.41Å; F23-F106 VanDerWaalsContact CG-CD1 3.41Å; F23-F106 HydrophobicContact CG-CD2 4.2Å; F23-F106 AromaticContact CG-CE1 3.55Å; F23-F106 HydrophobicContact CG-CE1 3.55Å; F23-F106 HydrophobicContact CG-CE2 4.32Å; F23-F106 AromaticContact CG-CG 3.76Å; F23-F106 HydrophobicContact CG-CG 3.76Å; F23-F106 HydrophobicContact CG-CZ 4.02Å; F23-F106 AromaticContact CZ-CD1 3.77Å; F23-F106 HydrophobicContact CZ-CD1 3.77Å; F23-F106 HydrophobicContact CZ-CE1 4.23Å |
| 24 | H | 94.3 | Very high | 85.3 | Confident | 83 Ų | 83 | 65.5 Ų | 65.5 | 38% | 0.384 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -7.7 | 176 | 76.2 | 83.5 | 0 | 0 | 0 | 113.4 | I19 G21 H22 Q151 | I19-H24 PolarHBondContact O-CE1 3.33Å; I19-H24 PolarHBondContact O-NE2 3.46Å; G21-H24 PolarHBondContact O-NE2 3.11Å; G21-H24 VanDerWaalsContact O-NE2 3.16Å; H22-H24 VanDerWaalsContact C-N 3.29Å; H22-H24 PolarHBondContact O-N 3.44Å; H24-Q151 PolarHBondContact NE2-NE2 2.81Å |
| 25 | L | 95.2 | Very high | 86.5 | Confident | 12 Ų | 12 | 59.1 Ų | 59.1 | 6% | 0.063 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -70.5 | 146.7 | -177.5 | -62.6 | 176.5 | 0 | 0 | 0 | 110.5 | H22 L27 N30 Q151 Y155 | H22-L25 HydrophobicContact CB-CD1 4.25Å; H22-L25 WeakPolarHBondContact O-CB 3.49Å; H22-L25 PolarHBondContact O-N 3.02Å; L25-L27 HydrophobicContact CB-CD1 4.02Å; L25-L27 HydrophobicContact CB-CG 3.83Å; L25-L27 HydrophobicContact CD1-CD1 4.21Å; L25-L27 PolarHBondContact O-N 3.46Å; L25-N30 PolarHBondContact O-ND2 3.06Å; L25-Q151 HydrophobicContact CD1-CB 4.03Å; L25-Q151 HydrophobicContact CD1-CG 4.08Å; L25-Q151 HydrophobicContact CD2-CB 4.21Å; L25-Q151 HydrophobicContact CD2-CG 4.17Å; L25-Y155 HydrophobicContact CD1-CE2 4.49Å |
| 26 | E | 92.4 | Very high | 87.8 | Confident | 134 Ų | 134 | 54.9 Ų | 54.9 | 63% | 0.626 | 30% | 0.302 | S | S | * | . | trans | -72.3 | 61.9 | 174.5 | -63.6 | 179.6 | 170.9 | 0 | 0 | 111.6 | K170 | E26-K170 PolarHBondContact O-NZ 3.42Š| ||
| 27 | L | 93.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | trans | -99 | 142.1 | 174.9 | -59.1 | 173.1 | 0 | 0 | 0 | 108.8 | L25 L29 N30 C31 L72 V154 Y155 D158 | L25-L27 HydrophobicContact CB-CD1 4.02Å; L25-L27 HydrophobicContact CB-CG 3.83Å; L25-L27 HydrophobicContact CD1-CD1 4.21Å; L25-L27 PolarHBondContact O-N 3.46Å; L27-L29 HydrophobicContact CB-CB 4.32Å; L27-L29 PolarHBondContact O-N 2.95Å; L27-N30 PolarHBondContact O-N 3.25Å; L27-C31 PolarHBondContact O-N 2.95Å; L27-C31 PolarHBondContact O-SG 3.47Å; L27-L72 HydrophobicContact CD1-CD2 3.82Å; L27-V154 HydrophobicContact CD1-CG1 3.49Å; L27-V154 VanDerWaalsContact CD1-CG1 3.49Å; L27-V154 HydrophobicContact CD2-CG1 4.01Å; L27-V154 HydrophobicContact CG-CG1 4.42Å; L27-Y155 HydrophobicContact CD2-CD1 3.91Å; L27-Y155 HydrophobicContact CD2-CD2 4.41Å; L27-Y155 HydrophobicContact CD2-CE1 4.01Å; L27-Y155 HydrophobicContact CD2-CE2 4.47Å; L27-Y155 HydrophobicContact CD2-CG 4.13Å; L27-D158 WeakPolarHBondContact CA-OD2 3.43Å; L27-D158 HydrophobicContact CD2-CB 4.29Å | ||
| 28 | N | 91.3 | Very high | 89.4 | Confident | 30 Ų | 30 | 51.6 Ų | 51.6 | 16% | 0.16 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -58 | -32.5 | 173.3 | -64.2 | -18.2 | 0 | 0 | 0 | 110.9 | N30 C31 R40 D158 V159 K170 | N28-N30 VanDerWaalsContact C-N 3.3Å; N28-N30 PolarHBondContact O-N 3.49Å; N28-C31 PolarHBondContact O-N 3.15Å; N28-R40 PolarHBondContact O-NH1 3.49Å; N28-R40 PolarHBondContact O-NH2 3.41Å; N28-D158 PolarHBondContact N-OD1 3.02Å; N28-D158 PolarHBondContact N-OD2 3.32Å; N28-V159 HydrophobicContact CB-CG2 4.45Å; N28-V159 WeakPolarHBondContact CB-O 3.39Å; N28-V159 PolarHBondContact ND2-O 2.91Å; N28-K170 WeakPolarHBondContact OD1-CE 3.31Å; N28-K170 PolarHBondContact OD1-NZ 3.32Å |
| 29 | L | 90.3 | Very high | 89.5 | Confident | 7 Ų | 7 | 50.8 Ų | 50.8 | 4% | 0.037 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -58.2 | -36.8 | 174.5 | -163.9 | 72 | 0 | 0 | 0 | 113.4 | L27 T44 L72 L73 H76 D158 V159 | L27-L29 HydrophobicContact CB-CB 4.32Å; L27-L29 PolarHBondContact O-N 2.95Å; L29-T44 HydrophobicContact CD1-CG2 4.17Å; L29-L72 HydrophobicContact CD2-CD2 3.99Å; L29-L72 HydrophobicContact CD2-CG 3.86Å; L29-L73 HydrophobicContact CD2-CD2 3.89Å; L29-H76 HydrophobicContact CD1-CB 3.95Å; L29-H76 HydrophobicContact CD2-CB 4.25Å; L29-H76 WeakPolarHBondContact CD2-CD2 3.42Å; L29-H76 HydrophobicContact CG-CB 4.09Å; L29-H76 WeakPolarHBondContact CG-CD2 3.42Å; L29-H76 PolarHBondContact O-CE1 2.98Å; L29-H76 PolarHBondContact O-ND1 3.33Å; L29-D158 PolarHBondContact N-OD1 3.06Å; L29-V159 HydrophobicContact CB-CG2 4.06Å; L29-V159 HydrophobicContact CD1-CG1 4.16Å; L29-V159 HydrophobicContact CD1-CG2 3.72Å |
| 30 | N | 93.2 | Very high | 89.3 | Confident | 42 Ų | 42 | 49.4 Ų | 49.4 | 23% | 0.225 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -85.8 | -12.2 | -178.6 | -65.5 | -21 | 0 | 0 | 0 | 113.4 | H22 F23 L25 L27 N28 H76 | H22-N30 PolarHBondContact O-ND2 3.26Å; F23-N30 PolarHBondContact O-ND2 3.26Å; L25-N30 PolarHBondContact O-ND2 3.06Å; L27-N30 PolarHBondContact O-N 3.25Å; N28-N30 VanDerWaalsContact C-N 3.3Å; N28-N30 PolarHBondContact O-N 3.49Å; N30-H76 PolarHBondContact OD1-NE2 3.2Å |
| 31 | C | 89 | Confident | 89 | Confident | 73 Ų | 73 | 52.6 Ų | 52.6 | 49% | 0.493 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -97.2 | 165.7 | 178.6 | -62.8 | 0 | 0 | 0 | 0 | 111.3 | L27 N28 R40 | L27-C31 PolarHBondContact O-N 2.95Å; L27-C31 PolarHBondContact O-SG 3.47Å; N28-C31 PolarHBondContact O-N 3.15Å; C31-R40 PolarHBondContact O-NH1 3.29Å |
| 32 | D | 84.7 | Confident | 88.7 | Confident | 145 Ų | 145 | 53.3 Ų | 53.3 | 78% | 0.775 | 30% | 0.302 | S | S | * | . | trans | -57.3 | 143.5 | 173.4 | -74.8 | -32.2 | 0 | 0 | 0 | 112.4 | V34 R40 | D32-V34 PolarHBondContact O-N 3.32Å; D32-V34 VanDerWaalsContact O-N 3.13Å; D32-R40 PolarHBondContact O-NH2 3.31Å | ||
| 33 | P | 81.8 | Confident | 88.3 | Confident | 62 Ų | 62 | 54.3 Ų | 54.3 | 40% | 0.403 | 31% | 0.307 | S | S | . | . | trans | -59.2 | 114.9 | 175.2 | 24.8 | -31.7 | 0 | 0 | 0 | 112.5 | G35 | P33-G35 VanDerWaalsContact C-N 3.29Š| ||
| 34 | V | 77.6 | Confident | 88.1 | Confident | 143 Ų | 143 | 53.1 Ų | 53.1 | 87% | 0.867 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -71.5 | -31.4 | 170.5 | -176.3 | 0 | 0 | 0 | 0 | 110.2 | D32 | D32-V34 PolarHBondContact O-N 3.32Å; D32-V34 VanDerWaalsContact O-N 3.13Å |
| 35 | G | 77.9 | Confident | 88 | Confident | 34 Ų | 34 | 52.2 Ų | 52.2 | 35% | 0.351 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -110.3 | -171 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P33 A37 | P33-G35 VanDerWaalsContact C-N 3.29Å; G35-A37 PolarHBondContact O-N 3.3Å |
| 36 | P | 83 | Confident | 87.7 | Confident | 52 Ų | 52 | 55 Ų | 55 | 34% | 0.338 | 31% | 0.311 | S | S | . | . | trans | -62.3 | 122.8 | 175.9 | -20.3 | 32.6 | 0 | 0 | 0 | 111.6 | N38 L39 R40 | P36-N38 WeakPolarHBondContact CB-OD1 3.44Å; P36-N38 PolarHBondContact O-N 2.95Å; P36-N38 VanDerWaalsContact O-N 3.14Å; P36-L39 HydrophobicContact CB-CD1 4.14Å; P36-L39 HydrophobicContact CB-CG 4.07Å; P36-L39 HydrophobicContact CG-CD1 3.93Å; P36-L39 HydrophobicContact CG-CG 4.41Å; P36-L39 WeakPolarHBondContact O-CB 3.39Å; P36-L39 PolarHBondContact O-N 2.55Å; P36-R40 PolarHBondContact O-N 2.96Å | ||
| 37 | A | 85.3 | Confident | 87.6 | Confident | 62 Ų | 62 | 50.9 Ų | 50.9 | 51% | 0.512 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.9 | -30.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G35 L39 R40 F41 | G35-A37 PolarHBondContact O-N 3.3Å; A37-L39 VanDerWaalsContact C-N 3.31Å; A37-L39 PolarHBondContact O-N 2.69Å; A37-R40 PolarHBondContact O-N 3.38Å; A37-F41 WeakPolarHBondContact O-CB 3.39Å; A37-F41 PolarHBondContact O-N 3.36Å |
| 38 | N | 84.8 | Confident | 87.6 | Confident | 78 Ų | 78 | 51.4 Ų | 51.4 | 42% | 0.417 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.1 | -34.2 | 175.9 | 63.4 | -41.5 | 0 | 0 | 0 | 112.9 | P36 R42 | P36-N38 WeakPolarHBondContact CB-OD1 3.44Å; P36-N38 PolarHBondContact O-N 2.95Å; P36-N38 VanDerWaalsContact O-N 3.14Å; N38-R42 WeakPolarHBondContact O-CB 3.38Å; N38-R42 PolarHBondContact O-N 3.45Å |
| 39 | L | 86.3 | Confident | 87.3 | Confident | 7 Ų | 7 | 54.6 Ų | 54.6 | 4% | 0.037 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -72.1 | -44.3 | 177.2 | -57.4 | -176.5 | 0 | 0 | 0 | 110.1 | P36 A37 F41 R42 D43 L460 R462 | P36-L39 HydrophobicContact CB-CD1 4.14Å; P36-L39 HydrophobicContact CB-CG 4.07Å; P36-L39 HydrophobicContact CG-CD1 3.93Å; P36-L39 HydrophobicContact CG-CG 4.41Å; P36-L39 WeakPolarHBondContact O-CB 3.39Å; P36-L39 PolarHBondContact O-N 2.55Å; A37-L39 VanDerWaalsContact C-N 3.31Å; A37-L39 PolarHBondContact O-N 2.69Å; L39-F41 VanDerWaalsContact C-N 3.32Å; L39-F41 PolarHBondContact O-N 3.37Å; L39-R42 WeakPolarHBondContact O-CB 3.42Å; L39-R42 PolarHBondContact O-N 3.37Å; L39-D43 WeakPolarHBondContact O-CB 3.38Å; L39-D43 PolarHBondContact O-N 3.43Å; L39-L460 WeakPolarHBondContact CD2-O 3.38Å; L39-R462 HydrophobicContact CD1-CG 3.82Å |
| 40 | R | 88.8 | Confident | 87.1 | Confident | 28 Ų | 28 | 56.6 Ų | 56.6 | 11% | 0.106 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -54.9 | -48.3 | 172.2 | -177.2 | -176.4 | -74.5 | -154 | -19.4 | 111.5 | N28 C31 D32 P36 A37 R42 D43 T44 V159 E160 | N28-R40 PolarHBondContact O-NH1 3.49Å; N28-R40 PolarHBondContact O-NH2 3.41Å; C31-R40 PolarHBondContact O-NH1 3.29Å; D32-R40 PolarHBondContact O-NH2 3.31Å; P36-R40 PolarHBondContact O-N 2.96Å; A37-R40 PolarHBondContact O-N 3.38Å; R40-R42 PolarHBondContact O-N 3.08Å; R40-D43 PolarHBondContact O-N 2.9Å; R40-T44 WeakPolarHBondContact O-CB 3.08Å; R40-T44 PolarHBondContact O-N 3.23Å; R40-T44 PolarHBondContact O-OG1 2.98Å; R40-V159 HydrophobicContact CG-CG2 4.19Å; R40-E160 IonicContact CZ-OE1 2.68Å; R40-E160 IonicContact CZ-OE2 3.45Å; R40-E160 IonicContact NE-OE1 2.7Å; R40-E160 PolarHBondContact NE-OE1 2.65Å; R40-E160 IonicContact NE-OE2 2.6Å; R40-E160 VanDerWaalsContact NH2-CD 3.33Å; R40-E160 IonicContact NH2-OE1 3.34Å; R40-E160 PolarHBondContact NH2-OE1 2.74Å; R40-E160 IonicContact NH2-OE2 3.64Å; R40-E160 PolarHBondContact NH2-OE2 3.35Å |
| 41 | F | 89.8 | Confident | 87 | Confident | 81 Ų | 81 | 54.6 Ų | 54.6 | 36% | 0.355 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.6 | -46.2 | 179 | -171.6 | -89.1 | 0 | 0 | 0 | 112 | A37 L39 D43 T44 Y45 L77 | A37-F41 WeakPolarHBondContact O-CB 3.39Å; A37-F41 PolarHBondContact O-N 3.36Å; L39-F41 VanDerWaalsContact C-N 3.32Å; L39-F41 PolarHBondContact O-N 3.37Å; F41-D43 PolarHBondContact O-N 3.4Å; F41-T44 PolarHBondContact O-N 2.97Å; F41-Y45 PolarHBondContact O-N 3.16Å; F41-L77 HydrophobicContact CD1-CD2 4.3Å; F41-L77 HydrophobicContact CD2-CD2 3.69Å; F41-L77 HydrophobicContact CE1-CD2 4.11Å; F41-L77 HydrophobicContact CE2-CB 4.26Å; F41-L77 HydrophobicContact CE2-CD2 3.48Å; F41-L77 VanDerWaalsContact CE2-CD2 3.48Å; F41-L77 HydrophobicContact CE2-CG 4.48Å; F41-L77 HydrophobicContact CG-CD2 4.1Å; F41-L77 HydrophobicContact CZ-CD2 3.71Å |
| 42 | R | 90 | Very high | 86.9 | Confident | 18 Ų | 18 | 54.2 Ų | 54.2 | 7% | 0.068 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56 | -51.1 | 174 | 174.1 | -167.1 | 75.7 | -164.9 | -4 | 111.6 | N38 L39 R40 T44 Y45 L46 P426 S429 L430 L460 | N38-R42 WeakPolarHBondContact O-CB 3.38Å; N38-R42 PolarHBondContact O-N 3.45Å; L39-R42 WeakPolarHBondContact O-CB 3.42Å; L39-R42 PolarHBondContact O-N 3.37Å; R40-R42 PolarHBondContact O-N 3.08Å; R42-T44 VanDerWaalsContact C-N 3.32Å; R42-T44 PolarHBondContact O-N 3.36Å; R42-Y45 WeakPolarHBondContact O-CB 3.43Å; R42-Y45 PolarHBondContact O-N 3.11Å; R42-L46 HydrophobicContact CG-CD1 4.06Å; R42-L46 HydrophobicContact CG-CG 4.44Å; R42-L46 WeakPolarHBondContact O-CG 3.46Å; R42-L46 PolarHBondContact O-N 3.14Å; R42-P426 HydrophobicContact CB-CB 4.48Å; R42-P426 HydrophobicContact CG-CB 4.33Å; R42-P426 HydrophobicContact CG-CG 4.02Å; R42-S429 WeakPolarHBondContact CB-OG 3.39Å; R42-S429 WeakPolarHBondContact CD-O 3.47Å; R42-S429 WeakPolarHBondContact CD-OG 3.18Å; R42-S429 WeakPolarHBondContact CG-OG 3.31Å; R42-S429 PolarHBondContact NH1-O 3.01Å; R42-L430 HydrophobicContact CG-CD2 4.44Å; R42-L460 PolarHBondContact NH1-O 3Å; R42-L460 VanDerWaalsContact NH1-O 3.11Å |
| 43 | D | 89.5 | Confident | 86.7 | Confident | 21 Ų | 21 | 48.4 Ų | 48.4 | 11% | 0.112 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.3 | -36.2 | -173.7 | -56.4 | -35 | 0 | 0 | 0 | 111.4 | L39 R40 F41 Y45 L46 K47 R462 | L39-D43 WeakPolarHBondContact O-CB 3.38Å; L39-D43 PolarHBondContact O-N 3.43Å; R40-D43 PolarHBondContact O-N 2.9Å; F41-D43 PolarHBondContact O-N 3.4Å; D43-Y45 VanDerWaalsContact C-N 3.34Å; D43-L46 PolarHBondContact O-N 3.43Å; D43-K47 WeakPolarHBondContact O-CB 3.27Å; D43-K47 PolarHBondContact O-N 2.65Å; D43-R462 IonicContact OD1-NH2 3.4Å; D43-R462 PolarHBondContact OD1-NH2 3Å; D43-R462 IonicContact OD2-CZ 3.27Å; D43-R462 IonicContact OD2-NE 2.74Å; D43-R462 IonicContact OD2-NH1 2.8Å; D43-R462 IonicContact OD2-NH2 2.69Å; D43-R462 PolarHBondContact OD2-NH2 2.86Å |
| 44 | T | 92.3 | Very high | 86.8 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.1 | -44.7 | 172.4 | -54.5 | 0 | 0 | 0 | 0 | 110.6 | L29 R40 F41 R42 K47 Q48 L73 L77 | L29-T44 HydrophobicContact CD1-CG2 4.17Å; R40-T44 WeakPolarHBondContact O-CB 3.08Å; R40-T44 PolarHBondContact O-N 3.23Å; R40-T44 PolarHBondContact O-OG1 2.98Å; F41-T44 PolarHBondContact O-N 2.97Å; R42-T44 VanDerWaalsContact C-N 3.32Å; R42-T44 PolarHBondContact O-N 3.36Å; T44-K47 WeakPolarHBondContact O-CB 3.34Å; T44-K47 PolarHBondContact O-N 3.11Å; T44-Q48 PolarHBondContact O-N 3.3Å; T44-L73 HydrophobicContact CG2-CB 4.19Å; T44-L73 HydrophobicContact CG2-CD2 3.66Å; T44-L77 HydrophobicContact CG2-CD1 4.17Å; T44-L77 HydrophobicContact CG2-CD2 3.85Å; T44-L77 HydrophobicContact CG2-CG 3.71Å |
| 45 | Y | 91.2 | Very high | 87.3 | Confident | 64 Ų | 64 | 42 Ų | 42 | 25% | 0.251 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.1 | -45.8 | 177.1 | -167.9 | -73.9 | 0 | 0 | 0 | 112.3 | F41 R42 D43 K47 Q48 D49 L77 K425 P426 | F41-Y45 PolarHBondContact O-N 3.16Å; R42-Y45 WeakPolarHBondContact O-CB 3.43Å; R42-Y45 PolarHBondContact O-N 3.11Å; D43-Y45 VanDerWaalsContact C-N 3.34Å; Y45-K47 PolarHBondContact O-N 3.49Å; Y45-Q48 WeakPolarHBondContact O-CB 3.29Å; Y45-Q48 PolarHBondContact O-N 2.88Å; Y45-Q48 VanDerWaalsContact O-N 3.15Å; Y45-D49 PolarHBondContact O-N 3.35Å; Y45-L77 HydrophobicContact CD2-CD1 4.34Å; Y45-K425 WeakPolarHBondContact CE1-O 3.48Å; Y45-K425 HydrophobicContact CE2-CB 4.13Å; Y45-K425 PolarHBondContact OH-O 3.1Å; Y45-P426 VanDerWaalsContact CD1-CD 3.41Å; Y45-P426 HydrophobicContact CD1-CG 3.91Å; Y45-P426 HydrophobicContact CG-CG 4.18Å |
| 46 | L | 89.2 | Confident | 87.5 | Confident | 70 Ų | 70 | 45.2 Ų | 45.2 | 37% | 0.366 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.4 | -36.7 | 176.6 | -68.5 | 176.2 | 0 | 0 | 0 | 111.5 | R42 D43 S50 P426 L430 | R42-L46 HydrophobicContact CG-CD1 4.06Å; R42-L46 HydrophobicContact CG-CG 4.44Å; R42-L46 WeakPolarHBondContact O-CG 3.46Å; R42-L46 PolarHBondContact O-N 3.14Å; D43-L46 PolarHBondContact O-N 3.43Å; L46-S50 PolarHBondContact O-N 3.03Å; L46-S50 VanDerWaalsContact O-N 3.16Å; L46-P426 HydrophobicContact CD2-CG 4.25Å; L46-P426 HydrophobicContact CG-CG 4.33Å; L46-L430 HydrophobicContact CD1-CD2 4.12Å; L46-L430 HydrophobicContact CD2-CD2 4.46Å |
| 47 | K | 91.3 | Very high | 87.3 | Confident | 47 Ų | 47 | 43.5 Ų | 43.5 | 20% | 0.204 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65 | -44.9 | 174.4 | -167 | 67.6 | 63.3 | -179.2 | 0 | 111.7 | D43 T44 Y45 D49 S50 L51 L73 Y157 | D43-K47 WeakPolarHBondContact O-CB 3.27Å; D43-K47 PolarHBondContact O-N 2.65Å; T44-K47 WeakPolarHBondContact O-CB 3.34Å; T44-K47 PolarHBondContact O-N 3.11Å; Y45-K47 PolarHBondContact O-N 3.49Å; K47-D49 PolarHBondContact O-N 3.5Å; K47-S50 PolarHBondContact O-N 3.43Å; K47-L51 HydrophobicContact CG-CD1 3.98Å; K47-L51 WeakPolarHBondContact O-CB 3.34Å; K47-L51 WeakPolarHBondContact O-CG 3.4Å; K47-L51 PolarHBondContact O-N 3.42Å; K47-L73 HydrophobicContact CB-CD1 4.21Å; K47-L73 HydrophobicContact CG-CD1 3.96Å; K47-Y157 HydrophobicContact CD-CD1 4.12Å; K47-Y157 WeakPolarHBondContact CE-O 3.17Å |
| 48 | Q | 91.6 | Very high | 87.2 | Confident | 13 Ų | 13 | 41.5 Ų | 41.5 | 6% | 0.061 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.8 | -46.2 | 177.9 | -170.9 | -174.2 | 51.4 | 0 | 0 | 111.6 | T44 Y45 L51 Q52 L70 L73 L77 | T44-Q48 PolarHBondContact O-N 3.3Å; Y45-Q48 WeakPolarHBondContact O-CB 3.29Å; Y45-Q48 PolarHBondContact O-N 2.88Å; Y45-Q48 VanDerWaalsContact O-N 3.15Å; Q48-L51 PolarHBondContact O-N 3.33Å; Q48-Q52 PolarHBondContact O-N 2.89Å; Q48-L70 HydrophobicContact CG-CD2 3.87Å; Q48-L73 HydrophobicContact CB-CD1 4.27Å; Q48-L77 HydrophobicContact CB-CD1 4.46Å |
| 49 | D | 86.4 | Confident | 86.8 | Confident | 96 Ų | 96 | 42.4 Ų | 42.4 | 51% | 0.513 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.4 | -43.8 | 178.3 | -171.7 | 61.1 | 0 | 0 | 0 | 112 | Y45 K47 L51 Q52 A53 | Y45-D49 PolarHBondContact O-N 3.35Å; K47-D49 PolarHBondContact O-N 3.5Å; D49-L51 VanDerWaalsContact C-N 3.34Å; D49-L51 PolarHBondContact O-N 3.43Å; D49-Q52 PolarHBondContact O-N 3.03Å; D49-A53 PolarHBondContact O-N 2.89Å |
| 50 | S | 86.4 | Confident | 86.7 | Confident | 50 Ų | 50 | 44 Ų | 44 | 35% | 0.35 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.8 | -39.7 | 176.8 | 179.5 | 0 | 0 | 0 | 0 | 112.4 | L46 K47 A53 E54 | L46-S50 PolarHBondContact O-N 3.03Å; L46-S50 VanDerWaalsContact O-N 3.16Å; K47-S50 PolarHBondContact O-N 3.43Å; S50-A53 PolarHBondContact O-N 3.47Å; S50-E54 PolarHBondContact O-N 3.19Å |
| 51 | L | 89.4 | Confident | 86.6 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -72.5 | -32.1 | -179.7 | -77.6 | 168 | 0 | 0 | 0 | 112.4 | K47 Q48 D49 A53 E54 L55 V66 L69 L70 L73 Y157 | K47-L51 HydrophobicContact CG-CD1 3.98Å; K47-L51 WeakPolarHBondContact O-CB 3.34Å; K47-L51 WeakPolarHBondContact O-CG 3.4Å; K47-L51 PolarHBondContact O-N 3.42Å; Q48-L51 PolarHBondContact O-N 3.33Å; D49-L51 VanDerWaalsContact C-N 3.34Å; D49-L51 PolarHBondContact O-N 3.43Å; L51-A53 PolarHBondContact O-N 3.23Å; L51-E54 PolarHBondContact O-N 3.13Å; L51-L55 PolarHBondContact O-N 3.15Å; L51-V66 HydrophobicContact CD2-CG1 4.35Å; L51-L69 HydrophobicContact CD1-CD2 3.44Å; L51-L69 VanDerWaalsContact CD1-CD2 3.44Å; L51-L69 HydrophobicContact CD1-CG 3.67Å; L51-L69 HydrophobicContact CD2-CD2 4.2Å; L51-L69 HydrophobicContact CG-CD2 4.47Å; L51-L70 HydrophobicContact CB-CD2 3.69Å; L51-L70 HydrophobicContact CB-CG 4.21Å; L51-L73 HydrophobicContact CD1-CD1 3.54Å; L51-Y157 HydrophobicContact CD2-CD1 3.73Å; L51-Y157 HydrophobicContact CD2-CE1 3.67Å; L51-Y157 HydrophobicContact CD2-CG 4.44Å; L51-Y157 HydrophobicContact CG-CD1 4.37Å |
| 52 | Q | 87.7 | Confident | 86.5 | Confident | 65 Ų | 65 | 43.3 Ų | 43.3 | 30% | 0.304 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.7 | -38.8 | 174.4 | -170.9 | 64.5 | 54.7 | 0 | 0 | 111.3 | Q48 D49 L55 E56 | Q48-Q52 PolarHBondContact O-N 2.89Å; D49-Q52 PolarHBondContact O-N 3.03Å; Q52-L55 PolarHBondContact O-N 3.47Å; Q52-E56 PolarHBondContact O-N 2.69Å |
| 53 | A | 81.2 | Confident | 86.6 | Confident | 22 Ų | 22 | 45 Ų | 45 | 18% | 0.182 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71.5 | -28.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D49 S50 L51 W331 | D49-A53 PolarHBondContact O-N 2.89Å; S50-A53 PolarHBondContact O-N 3.47Å; L51-A53 PolarHBondContact O-N 3.23Å; A53-W331 HydrophobicContact CB-CH2 4.47Å |
| 54 | E | 83.3 | Confident | 86.9 | Confident | 34 Ų | 34 | 45 Ų | 45 | 16% | 0.159 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.8 | -40.1 | 173.2 | -173.4 | 168.2 | 159.3 | 0 | 0 | 111 | S50 L51 E56 V57 E58 Y153 Y157 K200 | S50-E54 PolarHBondContact O-N 3.19Å; L51-E54 PolarHBondContact O-N 3.13Å; E54-E56 VanDerWaalsContact C-N 3.28Å; E54-E56 PolarHBondContact O-N 2.98Å; E54-V57 PolarHBondContact O-N 3.27Å; E54-E58 HydrophobicContact CG-CG 3.82Å; E54-E58 WeakPolarHBondContact O-CG 3.49Å; E54-E58 PolarHBondContact O-N 3.46Å; E54-Y153 VanDerWaalsContact CD-OH 3.26Å; E54-Y153 PolarHBondContact OE1-OH 3.08Å; E54-Y157 PolarHBondContact OE1-OH 3.07Å; E54-Y157 PolarHBondContact OE2-OH 3.49Å; E54-Y157 VanDerWaalsContact OE2-OH 3.09Å; E54-K200 IonicContact OE1-NZ 2.76Å; E54-K200 PolarHBondContact OE1-NZ 3.48Å |
| 55 | L | 88.3 | Confident | 87.1 | Confident | 37 Ų | 37 | 45 Ų | 45 | 19% | 0.194 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.8 | -33.7 | 178 | -177 | 60.9 | 0 | 0 | 0 | 113.2 | L51 Q52 V57 Q63 V66 R67 L70 | L51-L55 PolarHBondContact O-N 3.15Å; Q52-L55 PolarHBondContact O-N 3.47Å; L55-V57 PolarHBondContact O-N 2.88Å; L55-V57 VanDerWaalsContact O-N 3.12Å; L55-Q63 HydrophobicContact CD1-CB 4.04Å; L55-V66 HydrophobicContact CB-CG1 3.9Å; L55-V66 HydrophobicContact CD1-CB 4.21Å; L55-V66 HydrophobicContact CD1-CG1 4.24Å; L55-R67 HydrophobicContact CD1-CG 3.83Å; L55-R67 HydrophobicContact CD2-CG 3.74Å; L55-R67 HydrophobicContact CG-CG 4.47Å; L55-L70 HydrophobicContact CD2-CD1 3.88Å |
| 56 | E | 81.3 | Confident | 87.3 | Confident | 102 Ų | 102 | 41.9 Ų | 41.9 | 48% | 0.477 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -19.6 | 175.3 | -70.3 | 174.5 | -172.4 | 0 | 0 | 112.7 | Q52 E54 R379 | Q52-E56 PolarHBondContact O-N 2.69Å; E54-E56 VanDerWaalsContact C-N 3.28Å; E54-E56 PolarHBondContact O-N 2.98Å; E56-R379 IonicContact OE1-NH1 2.7Å; E56-R379 IonicContact OE1-NH2 2.73Å |
| 57 | V | 79.8 | Confident | 87.6 | Confident | 15 Ų | 15 | 39.9 Ų | 39.9 | 9% | 0.091 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | -23.1 | -171.2 | 175.9 | 0 | 0 | 0 | 0 | 112.9 | E54 L55 I295 L299 | E54-V57 PolarHBondContact O-N 3.27Å; L55-V57 PolarHBondContact O-N 2.88Å; L55-V57 VanDerWaalsContact O-N 3.12Å; V57-I295 HydrophobicContact CB-CG2 4Å; V57-I295 HydrophobicContact CG1-CG2 3.24Å; V57-I295 HydrophobicContact CG2-CG2 3.74Å; V57-L299 HydrophobicContact CG1-CD1 3.67Å; V57-L299 HydrophobicContact CG1-CD2 4.09Å; V57-L299 HydrophobicContact CG1-CG 4.09Å |
| 58 | E | 82.8 | Confident | 87.9 | Confident | 20 Ų | 20 | 37.6 Ų | 37.6 | 9% | 0.093 | 20% | 0.203 | C | C | . | . | trans | -73.7 | 138.7 | -178.1 | -75.7 | -67.5 | -179.2 | 0 | 0 | 112.4 | E54 L62 V66 K200 | E54-E58 HydrophobicContact CG-CG 3.82Å; E54-E58 WeakPolarHBondContact O-CG 3.49Å; E54-E58 PolarHBondContact O-N 3.46Å; E58-L62 VanDerWaalsContact OE2-CD2 3.24Å; E58-L62 WeakPolarHBondContact OE2-CD2 3.48Å; E58-V66 HydrophobicContact CG-CG2 4.16Å; E58-K200 IonicContact OE1-NZ 3.71Å; E58-K200 PolarHBondContact OE1-NZ 3.28Å | ||
| 59 | V | 75.3 | Confident | 88.2 | Confident | 98 Ų | 98 | 37.1 Ų | 37.1 | 59% | 0.594 | 20% | 0.2 | S | C | * | . | trans | -123.6 | 142.1 | -174.2 | -172.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 60 | G | 84.4 | Confident | 88.7 | Confident | 39 Ų | 39 | 32.8 Ų | 32.8 | 40% | 0.402 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | -158.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L62 Q63 | G60-L62 PolarHBondContact O-N 3.49Å; G60-L62 VanDerWaalsContact O-N 3.1Å; G60-Q63 WeakPolarHBondContact O-CB 3.38Å; G60-Q63 WeakPolarHBondContact O-CG 3.34Å; G60-Q63 PolarHBondContact O-N 3.01Å; G60-Q63 VanDerWaalsContact O-N 3.11Å |
| 61 | Y | 87.7 | Confident | 89.2 | Confident | 83 Ų | 83 | 30.4 Ų | 30.4 | 33% | 0.325 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -22 | -172.2 | -84.4 | -90 | 0 | 0 | 0 | 114.7 | Q63 Y64 R146 E193 | Y61-Q63 PolarHBondContact O-N 3.33Å; Y61-Y64 AromaticContact CD1-CD2 3.8Å; Y61-Y64 HydrophobicContact CD1-CD2 3.8Å; Y61-Y64 AromaticContact CD1-CE2 3.84Å; Y61-Y64 HydrophobicContact CD1-CE2 3.84Å; Y61-Y64 HydrophobicContact CE1-CD2 4.43Å; Y61-Y64 HydrophobicContact CE1-CE2 4.09Å; Y61-Y64 HydrophobicContact CG-CD2 4.45Å; Y61-Y64 HydrophobicContact CG-CE2 4.49Å; Y61-Y64 PolarHBondContact O-N 2.95Å; Y61-Y64 VanDerWaalsContact O-N 3.09Å; Y61-R146 VanDerWaalsContact CE1-NH1 3.33Å; Y61-R146 VanDerWaalsContact CZ-CZ 3.43Å; Y61-R146 VanDerWaalsContact CZ-NH1 3.34Å; Y61-R146 PolarHBondContact OH-NH1 2.97Å; Y61-E193 HydrophobicContact CD2-CG 4.39Å; Y61-E193 WeakPolarHBondContact CD2-OE1 3.47Å |
| 62 | L | 87.3 | Confident | 89.6 | Confident | 12 Ų | 12 | 30.4 Ų | 30.4 | 6% | 0.063 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.8 | -25.2 | 177.6 | -173.1 | 64.2 | 0 | 0 | 0 | 112.4 | E58 G60 Y64 A65 V66 Y153 K200 | E58-L62 VanDerWaalsContact OE2-CD2 3.24Å; E58-L62 WeakPolarHBondContact OE2-CD2 3.48Å; G60-L62 PolarHBondContact O-N 3.49Å; G60-L62 VanDerWaalsContact O-N 3.1Å; L62-Y64 PolarHBondContact O-N 3.28Å; L62-A65 HydrophobicContact CD1-CB 4.06Å; L62-A65 VanDerWaalsContact O-CB 3.32Å; L62-A65 WeakPolarHBondContact O-CB 3.49Å; L62-A65 PolarHBondContact O-N 3.4Å; L62-A65 VanDerWaalsContact O-N 3.08Å; L62-V66 PolarHBondContact O-N 2.66Å; L62-Y153 HydrophobicContact CD1-CD2 3.83Å; L62-Y153 HydrophobicContact CD1-CE2 4.14Å; L62-Y153 HydrophobicContact CD1-CG 4.42Å; L62-K200 HydrophobicContact CD2-CD 4.45Å; L62-K200 HydrophobicContact CD2-CG 4.47Å |
| 63 | Q | 92.7 | Very high | 90 | Very high | 53 Ų | 53 | 27.4 Ų | 27.4 | 25% | 0.248 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.1 | -31 | 174.7 | 80.4 | -177.1 | -13.1 | 0 | 0 | 112.5 | L55 G60 Y61 V66 R67 | L55-Q63 HydrophobicContact CD1-CB 4.04Å; G60-Q63 WeakPolarHBondContact O-CB 3.38Å; G60-Q63 WeakPolarHBondContact O-CG 3.34Å; G60-Q63 PolarHBondContact O-N 3.01Å; G60-Q63 VanDerWaalsContact O-N 3.11Å; Y61-Q63 PolarHBondContact O-N 3.33Å; Q63-V66 PolarHBondContact O-N 2.99Å; Q63-R67 VanDerWaalsContact O-CG 3.32Å; Q63-R67 WeakPolarHBondContact O-CG 3.45Å; Q63-R67 PolarHBondContact O-N 3.44Å |
| 64 | Y | 95.6 | Very high | 90.8 | Very high | 23 Ų | 23 | 26.4 Ų | 26.4 | 9% | 0.09 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -74.3 | -33.7 | 179.5 | -58.4 | -54.4 | 0 | 0 | 0 | 111.6 | Y61 L62 V66 R67 N68 I90 E93 D94 | Y61-Y64 AromaticContact CD1-CD2 3.8Å; Y61-Y64 HydrophobicContact CD1-CD2 3.8Å; Y61-Y64 AromaticContact CD1-CE2 3.84Å; Y61-Y64 HydrophobicContact CD1-CE2 3.84Å; Y61-Y64 HydrophobicContact CE1-CD2 4.43Å; Y61-Y64 HydrophobicContact CE1-CE2 4.09Å; Y61-Y64 HydrophobicContact CG-CD2 4.45Å; Y61-Y64 HydrophobicContact CG-CE2 4.49Å; Y61-Y64 PolarHBondContact O-N 2.95Å; Y61-Y64 VanDerWaalsContact O-N 3.09Å; L62-Y64 PolarHBondContact O-N 3.28Å; Y64-V66 VanDerWaalsContact C-N 3.33Å; Y64-V66 PolarHBondContact O-N 3.1Å; Y64-R67 PolarHBondContact O-N 3.26Å; Y64-N68 VanDerWaalsContact O-CB 3.27Å; Y64-N68 WeakPolarHBondContact O-CB 3.5Å; Y64-N68 PolarHBondContact O-N 2.92Å; Y64-N68 PolarHBondContact O-ND2 3.19Å; Y64-I90 HydrophobicContact CD1-CB 4.46Å; Y64-I90 HydrophobicContact CD1-CG1 4.31Å; Y64-I90 HydrophobicContact CD1-CG2 3.7Å; Y64-I90 HydrophobicContact CE1-CG2 4.32Å; Y64-I90 HydrophobicContact CG-CG2 4.2Å; Y64-E93 HydrophobicContact CE1-CB 4.24Å; Y64-D94 HydrophobicContact CD2-CB 4.33Å; Y64-D94 HydrophobicContact CE1-CB 4.21Å; Y64-D94 HydrophobicContact CE2-CB 3.75Å |
| 65 | A | 95.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.1 | -45.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L62 L69 E150 Y153 | L62-A65 HydrophobicContact CD1-CB 4.06Å; L62-A65 VanDerWaalsContact O-CB 3.32Å; L62-A65 WeakPolarHBondContact O-CB 3.49Å; L62-A65 PolarHBondContact O-N 3.4Å; L62-A65 VanDerWaalsContact O-N 3.08Å; A65-L69 WeakPolarHBondContact O-CB 3.37Å; A65-L69 PolarHBondContact O-N 3.41Å; A65-E150 HydrophobicContact CB-CB 4.13Å; A65-E150 HydrophobicContact CB-CG 3.85Å; A65-Y153 HydrophobicContact CB-CD1 3.68Å; A65-Y153 HydrophobicContact CB-CE1 4.38Å; A65-Y153 HydrophobicContact CB-CG 3.78Å |
| 66 | V | 95.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.5 | -46 | 177.9 | -175 | 0 | 0 | 0 | 0 | 111 | L51 L55 E58 L62 Q63 Y64 L69 L70 Y153 | L51-V66 HydrophobicContact CD2-CG1 4.35Å; L55-V66 HydrophobicContact CB-CG1 3.9Å; L55-V66 HydrophobicContact CD1-CB 4.21Å; L55-V66 HydrophobicContact CD1-CG1 4.24Å; E58-V66 HydrophobicContact CG-CG2 4.16Å; L62-V66 PolarHBondContact O-N 2.66Å; Q63-V66 PolarHBondContact O-N 2.99Å; Y64-V66 VanDerWaalsContact C-N 3.33Å; Y64-V66 PolarHBondContact O-N 3.1Å; V66-L69 PolarHBondContact O-N 2.99Å; V66-L70 HydrophobicContact CG1-CD1 4.24Å; V66-L70 WeakPolarHBondContact O-CG 3.3Å; V66-L70 PolarHBondContact O-N 3.24Å; V66-Y153 HydrophobicContact CG2-CE1 3.97Å; V66-Y153 WeakPolarHBondContact CG2-OH 3.38Å |
| 67 | R | 96.6 | Very high | 92.3 | Very high | 27 Ų | 27 | 22.7 Ų | 22.7 | 10% | 0.102 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.3 | -40.9 | 179.4 | -71.2 | 166.6 | 67.8 | 177.2 | 7.8 | 112.2 | L55 Q63 Y64 L69 L70 G71 I86 S89 I90 E93 | L55-R67 HydrophobicContact CD1-CG 3.83Å; L55-R67 HydrophobicContact CD2-CG 3.74Å; L55-R67 HydrophobicContact CG-CG 4.47Å; Q63-R67 VanDerWaalsContact O-CG 3.32Å; Q63-R67 WeakPolarHBondContact O-CG 3.45Å; Q63-R67 PolarHBondContact O-N 3.44Å; Y64-R67 PolarHBondContact O-N 3.26Å; R67-L69 VanDerWaalsContact C-N 3.28Å; R67-L69 PolarHBondContact O-N 3.45Å; R67-L70 PolarHBondContact O-N 3.44Å; R67-L70 VanDerWaalsContact O-N 3.15Å; R67-G71 PolarHBondContact O-N 3.24Å; R67-I86 HydrophobicContact CB-CG2 4.23Å; R67-I86 WeakPolarHBondContact O-CG2 3.46Å; R67-S89 VanDerWaalsContact NH2-CB 3.31Å; R67-S89 PolarHBondContact NH2-OG 2.94Å; R67-I90 HydrophobicContact CB-CD1 3.58Å; R67-I90 HydrophobicContact CB-CG1 3.93Å; R67-E93 IonicContact CZ-OE1 3.33Å; R67-E93 IonicContact CZ-OE2 2.79Å; R67-E93 VanDerWaalsContact NH1-CD 3.26Å; R67-E93 IonicContact NH1-OE1 2.66Å; R67-E93 PolarHBondContact NH1-OE1 2.93Å; R67-E93 IonicContact NH1-OE2 2.82Å; R67-E93 PolarHBondContact NH1-OE2 2.76Å; R67-E93 IonicContact NH2-OE1 3.22Å; R67-E93 PolarHBondContact NH2-OE1 3Å; R67-E93 IonicContact NH2-OE2 2.68Å |
| 68 | N | 97.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.3 | -42.2 | 174.4 | -90.4 | -38.6 | 0 | 0 | 0 | 110.8 | Y64 G71 L72 F87 I90 N97 N103 E150 | Y64-N68 VanDerWaalsContact O-CB 3.27Å; Y64-N68 WeakPolarHBondContact O-CB 3.5Å; Y64-N68 PolarHBondContact O-N 2.92Å; Y64-N68 PolarHBondContact O-ND2 3.19Å; N68-G71 PolarHBondContact O-N 2.88Å; N68-L72 PolarHBondContact O-N 3.48Å; N68-F87 WeakPolarHBondContact O-CE1 3.35Å; N68-F87 WeakPolarHBondContact OD1-CD1 3.5Å; N68-I90 HydrophobicContact CB-CD1 4.41Å; N68-I90 WeakPolarHBondContact OD1-CD1 3.39Å; N68-N97 PolarHBondContact ND2-OD1 3.25Å; N68-N103 PolarHBondContact OD1-ND2 3.28Å; N68-E150 PolarHBondContact ND2-OE2 2.97Å |
| 69 | L | 97.2 | Very high | 93.6 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.8 | -42.5 | 173.2 | -177.7 | 52.4 | 0 | 0 | 0 | 112.8 | L51 A65 V66 R67 G71 L72 L73 Y153 V154 Y157 | L51-L69 HydrophobicContact CD1-CD2 3.44Å; L51-L69 VanDerWaalsContact CD1-CD2 3.44Å; L51-L69 HydrophobicContact CD1-CG 3.67Å; L51-L69 HydrophobicContact CD2-CD2 4.2Å; L51-L69 HydrophobicContact CG-CD2 4.47Å; A65-L69 WeakPolarHBondContact O-CB 3.37Å; A65-L69 PolarHBondContact O-N 3.41Å; V66-L69 PolarHBondContact O-N 2.99Å; R67-L69 VanDerWaalsContact C-N 3.28Å; R67-L69 PolarHBondContact O-N 3.45Å; L69-G71 VanDerWaalsContact C-N 3.29Å; L69-G71 PolarHBondContact O-N 3.33Å; L69-L72 HydrophobicContact CD1-CD2 4.11Å; L69-L72 WeakPolarHBondContact O-CB 3.48Å; L69-L72 PolarHBondContact O-N 3.43Å; L69-L73 HydrophobicContact CD1-CD1 4.4Å; L69-L73 HydrophobicContact CD1-CG 4.14Å; L69-L73 HydrophobicContact CG-CD1 4.24Å; L69-L73 HydrophobicContact CG-CG 4.44Å; L69-L73 VanDerWaalsContact O-CG 3.29Å; L69-L73 WeakPolarHBondContact O-CG 3.45Å; L69-L73 PolarHBondContact O-N 3.3Å; L69-Y153 HydrophobicContact CD2-CE1 4.24Å; L69-V154 HydrophobicContact CB-CG2 4.1Å; L69-V154 HydrophobicContact CD1-CB 4.3Å; L69-V154 HydrophobicContact CD1-CG1 3.58Å; L69-V154 HydrophobicContact CD1-CG2 3.99Å; L69-V154 HydrophobicContact CD2-CG2 4.44Å; L69-V154 HydrophobicContact CG-CG2 4.4Å; L69-Y157 HydrophobicContact CD2-CD2 4.3Å; L69-Y157 HydrophobicContact CD2-CG 3.98Å |
| 70 | L | 97.3 | Very high | 94.6 | Very high | 5 Ų | 5 | 29.6 Ų | 29.6 | 3% | 0.026 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.9 | -38.3 | 175.5 | -75.1 | 169.6 | 0 | 0 | 0 | 112.2 | Q48 L51 L55 V66 R67 A74 I86 | Q48-L70 HydrophobicContact CG-CD2 3.87Å; L51-L70 HydrophobicContact CB-CD2 3.69Å; L51-L70 HydrophobicContact CB-CG 4.21Å; L55-L70 HydrophobicContact CD2-CD1 3.88Å; V66-L70 HydrophobicContact CG1-CD1 4.24Å; V66-L70 WeakPolarHBondContact O-CG 3.3Å; V66-L70 PolarHBondContact O-N 3.24Å; R67-L70 PolarHBondContact O-N 3.44Å; R67-L70 VanDerWaalsContact O-N 3.15Å; L70-A74 VanDerWaalsContact O-CB 3.32Å; L70-A74 WeakPolarHBondContact O-CB 3.45Å; L70-A74 PolarHBondContact O-N 2.92Å; L70-I86 HydrophobicContact CB-CD1 4.29Å |
| 71 | G | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.5 | -44 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R67 N68 L69 A74 F75 A83 | R67-G71 PolarHBondContact O-N 3.24Å; N68-G71 PolarHBondContact O-N 2.88Å; L69-G71 VanDerWaalsContact C-N 3.29Å; L69-G71 PolarHBondContact O-N 3.33Å; G71-A74 PolarHBondContact O-N 2.97Å; G71-F75 PolarHBondContact O-N 2.91Å; G71-A83 WeakPolarHBondContact O-CB 3.5Å |
| 72 | L | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.9 | -47.2 | 174.8 | 178.8 | 67.7 | 0 | 0 | 0 | 111.4 | H22 F23 L27 L29 N68 L69 A74 F75 H76 V154 | H22-L72 HydrophobicContact CB-CD1 4.27Å; H22-L72 HydrophobicContact CB-CD2 4.11Å; F23-L72 HydrophobicContact CD1-CD1 3.69Å; F23-L72 HydrophobicContact CE1-CD1 3.44Å; F23-L72 VanDerWaalsContact CE1-CD1 3.44Å; F23-L72 HydrophobicContact CG-CD1 4.4Å; F23-L72 HydrophobicContact CZ-CD1 3.99Å; L27-L72 HydrophobicContact CD1-CD2 3.82Å; L29-L72 HydrophobicContact CD2-CD2 3.99Å; L29-L72 HydrophobicContact CD2-CG 3.86Å; N68-L72 PolarHBondContact O-N 3.48Å; L69-L72 HydrophobicContact CD1-CD2 4.11Å; L69-L72 WeakPolarHBondContact O-CB 3.48Å; L69-L72 PolarHBondContact O-N 3.43Å; L72-A74 VanDerWaalsContact C-N 3.35Å; L72-A74 PolarHBondContact O-N 2.9Å; L72-F75 WeakPolarHBondContact O-CB 3.24Å; L72-F75 PolarHBondContact O-N 3.42Å; L72-H76 PolarHBondContact O-CD2 3.42Å; L72-H76 VanDerWaalsContact O-CD2 3.23Å; L72-H76 PolarHBondContact O-N 3.4Å; L72-H76 VanDerWaalsContact O-N 3.11Å; L72-V154 HydrophobicContact CD2-CG1 4.19Å |
| 73 | L | 96.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.1 | -39.9 | 177 | -64.8 | 173.1 | 0 | 0 | 0 | 111.5 | L29 T44 K47 Q48 L51 L69 F75 H76 L77 | L29-L73 HydrophobicContact CD2-CD2 3.89Å; T44-L73 HydrophobicContact CG2-CB 4.19Å; T44-L73 HydrophobicContact CG2-CD2 3.66Å; K47-L73 HydrophobicContact CB-CD1 4.21Å; K47-L73 HydrophobicContact CG-CD1 3.96Å; Q48-L73 HydrophobicContact CB-CD1 4.27Å; L51-L73 HydrophobicContact CD1-CD1 3.54Å; L69-L73 HydrophobicContact CD1-CD1 4.4Å; L69-L73 HydrophobicContact CD1-CG 4.14Å; L69-L73 HydrophobicContact CG-CD1 4.24Å; L69-L73 HydrophobicContact CG-CG 4.44Å; L69-L73 VanDerWaalsContact O-CG 3.29Å; L69-L73 WeakPolarHBondContact O-CG 3.45Å; L69-L73 PolarHBondContact O-N 3.3Å; L73-F75 VanDerWaalsContact C-N 3.33Å; L73-F75 PolarHBondContact O-N 3.12Å; L73-H76 PolarHBondContact O-N 2.88Å; L73-L77 WeakPolarHBondContact O-CB 3.31Å; L73-L77 WeakPolarHBondContact O-CG 3.48Å; L73-L77 PolarHBondContact O-N 3.35Å |
| 74 | A | 96.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.7 | -41 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | L70 G71 L72 L77 E78 Q79 R82 A83 | L70-A74 VanDerWaalsContact O-CB 3.32Å; L70-A74 WeakPolarHBondContact O-CB 3.45Å; L70-A74 PolarHBondContact O-N 2.92Å; G71-A74 PolarHBondContact O-N 2.97Å; L72-A74 VanDerWaalsContact C-N 3.35Å; L72-A74 PolarHBondContact O-N 2.9Å; A74-L77 CarbonylContact O-C 3.56Å; A74-L77 PolarHBondContact O-N 3.19Å; A74-E78 PolarHBondContact O-N 2.93Å; A74-Q79 HydrophobicContact CB-CB 4.31Å; A74-Q79 WeakPolarHBondContact O-CA 3.2Å; A74-Q79 WeakPolarHBondContact O-CB 3.21Å; A74-Q79 PolarHBondContact O-N 2.81Å; A74-R82 HydrophobicContact CB-CB 4.45Å; A74-R82 HydrophobicContact CB-CG 4.45Å; A74-A83 HydrophobicContact CB-CB 4.12Å |
| 75 | F | 96.8 | Very high | 96.5 | Very high | 32 Ų | 32 | 37.9 Ų | 37.9 | 14% | 0.14 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.9 | -50.2 | 174.6 | -179.8 | -86.2 | 0 | 0 | 0 | 111.6 | F23 G71 L72 L73 L77 E78 L80 A83 F106 V107 T110 | F23-F75 HydrophobicContact CD1-CD1 4.33Å; F23-F75 HydrophobicContact CD1-CE1 4.4Å; F23-F75 HydrophobicContact CE1-CB 4.02Å; F23-F75 AromaticContact CE1-CD1 3.39Å; F23-F75 HydrophobicContact CE1-CD1 3.39Å; F23-F75 HydrophobicContact CE1-CD2 4.13Å; F23-F75 AromaticContact CE1-CE1 3.8Å; F23-F75 HydrophobicContact CE1-CE1 3.8Å; F23-F75 HydrophobicContact CE1-CE2 4.46Å; F23-F75 AromaticContact CE1-CG 3.57Å; F23-F75 HydrophobicContact CE1-CG 3.57Å; F23-F75 HydrophobicContact CE1-CZ 4.32Å; F23-F75 HydrophobicContact CZ-CB 3.95Å; F23-F75 HydrophobicContact CZ-CD1 4.03Å; F23-F75 AromaticContact CZ-CD2 3.95Å; F23-F75 HydrophobicContact CZ-CD2 3.95Å; F23-F75 HydrophobicContact CZ-CE2 4.45Å; F23-F75 AromaticContact CZ-CG 3.7Å; F23-F75 HydrophobicContact CZ-CG 3.7Å; G71-F75 PolarHBondContact O-N 2.91Å; L72-F75 WeakPolarHBondContact O-CB 3.24Å; L72-F75 PolarHBondContact O-N 3.42Å; L73-F75 VanDerWaalsContact C-N 3.33Å; L73-F75 PolarHBondContact O-N 3.12Å; F75-L77 PolarHBondContact O-N 3.07Å; F75-E78 WeakPolarHBondContact O-CA 3.46Å; F75-E78 PolarHBondContact O-N 3.34Å; F75-L80 HydrophobicContact CD2-CD2 3.3Å; F75-L80 HydrophobicContact CE2-CD2 3.44Å; F75-L80 VanDerWaalsContact CE2-CD2 3.44Å; F75-L80 HydrophobicContact CG-CD2 4.16Å; F75-L80 HydrophobicContact CZ-CD2 4.36Å; F75-A83 HydrophobicContact CB-CB 4.11Å; F75-F106 HydrophobicContact CE1-CE1 4.05Å; F75-F106 HydrophobicContact CE2-CD1 4.21Å; F75-F106 HydrophobicContact CE2-CE1 4.06Å; F75-F106 HydrophobicContact CZ-CD1 4.18Å; F75-F106 AromaticContact CZ-CE1 3.57Å; F75-F106 HydrophobicContact CZ-CE1 3.57Å; F75-V107 HydrophobicContact CD2-CG2 3.95Å; F75-V107 HydrophobicContact CE2-CG2 4.42Å; F75-T110 HydrophobicContact CE2-CG2 3.94Å; F75-T110 HydrophobicContact CZ-CG2 3.99Å |
| 76 | H | 94.3 | Very high | 96.6 | Very high | 56 Ų | 56 | 39.1 Ų | 39.1 | 26% | 0.259 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -69.8 | -14.7 | 179.4 | -76.5 | -71.5 | 0 | 0 | 0 | 114.1 | L29 N30 L72 L73 E78 | L29-H76 HydrophobicContact CD1-CB 3.95Å; L29-H76 HydrophobicContact CD2-CB 4.25Å; L29-H76 WeakPolarHBondContact CD2-CD2 3.42Å; L29-H76 HydrophobicContact CG-CB 4.09Å; L29-H76 WeakPolarHBondContact CG-CD2 3.42Å; L29-H76 PolarHBondContact O-CE1 2.98Å; L29-H76 PolarHBondContact O-ND1 3.33Å; N30-H76 PolarHBondContact OD1-NE2 3.2Å; L72-H76 PolarHBondContact O-CD2 3.42Å; L72-H76 VanDerWaalsContact O-CD2 3.23Å; L72-H76 PolarHBondContact O-N 3.4Å; L72-H76 VanDerWaalsContact O-N 3.11Å; L73-H76 PolarHBondContact O-N 2.88Å; H76-E78 VanDerWaalsContact C-N 3.29Å |
| 77 | L | 93.7 | Very high | 96.7 | Very high | 7 Ų | 7 | 39.1 Ų | 39.1 | 4% | 0.037 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 10.9 | 168.4 | -68.2 | 170.2 | 0 | 0 | 0 | 112.8 | F41 T44 Y45 Q48 L73 A74 F75 Q79 | F41-L77 HydrophobicContact CD1-CD2 4.3Å; F41-L77 HydrophobicContact CD2-CD2 3.69Å; F41-L77 HydrophobicContact CE1-CD2 4.11Å; F41-L77 HydrophobicContact CE2-CB 4.26Å; F41-L77 HydrophobicContact CE2-CD2 3.48Å; F41-L77 VanDerWaalsContact CE2-CD2 3.48Å; F41-L77 HydrophobicContact CE2-CG 4.48Å; F41-L77 HydrophobicContact CG-CD2 4.1Å; F41-L77 HydrophobicContact CZ-CD2 3.71Å; T44-L77 HydrophobicContact CG2-CD1 4.17Å; T44-L77 HydrophobicContact CG2-CD2 3.85Å; T44-L77 HydrophobicContact CG2-CG 3.71Å; Y45-L77 HydrophobicContact CD2-CD1 4.34Å; Q48-L77 HydrophobicContact CB-CD1 4.46Å; L73-L77 WeakPolarHBondContact O-CB 3.31Å; L73-L77 WeakPolarHBondContact O-CG 3.48Å; L73-L77 PolarHBondContact O-N 3.35Å; A74-L77 CarbonylContact O-C 3.56Å; A74-L77 PolarHBondContact O-N 3.19Å; F75-L77 PolarHBondContact O-N 3.07Å; L77-Q79 HydrophobicContact CB-CG 4.22Å; L77-Q79 PolarHBondContact O-N 3.02Å |
| 78 | E | 93.6 | Very high | 96.8 | Very high | 170 Ų | 170 | 42.7 Ų | 42.7 | 79% | 0.794 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 22.4 | -177 | -56.6 | 177.4 | -174 | 0 | 0 | 113.9 | A74 F75 H76 L80 | A74-E78 PolarHBondContact O-N 2.93Å; F75-E78 WeakPolarHBondContact O-CA 3.46Å; F75-E78 PolarHBondContact O-N 3.34Å; H76-E78 VanDerWaalsContact C-N 3.29Å; E78-L80 PolarHBondContact O-N 2.97Å |
| 79 | Q | 95.4 | Very high | 96.8 | Very high | 57 Ų | 57 | 44.3 Ų | 44.3 | 27% | 0.266 | 21% | 0.208 | S | C | . | . | trans | -95.2 | 60.2 | 177.8 | -58.4 | 172.4 | 11.4 | 0 | 0 | 110.3 | A74 L77 D81 R82 A83 | A74-Q79 HydrophobicContact CB-CB 4.31Å; A74-Q79 WeakPolarHBondContact O-CA 3.2Å; A74-Q79 WeakPolarHBondContact O-CB 3.21Å; A74-Q79 PolarHBondContact O-N 2.81Å; L77-Q79 HydrophobicContact CB-CG 4.22Å; L77-Q79 PolarHBondContact O-N 3.02Å; Q79-D81 VanDerWaalsContact C-N 3.33Å; Q79-D81 PolarHBondContact O-N 2.85Å; Q79-R82 HydrophobicContact CB-CB 4.08Å; Q79-R82 PolarHBondContact O-N 2.94Å; Q79-A83 PolarHBondContact O-N 2.99Å | ||
| 80 | L | 96.5 | Very high | 96.9 | Very high | 52 Ų | 52 | 44.1 Ų | 44.1 | 27% | 0.272 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -56.8 | -42.3 | -173 | -62.4 | -178 | 0 | 0 | 0 | 113.1 | F75 E78 R82 A83 E84 Q111 | F75-L80 HydrophobicContact CD2-CD2 3.3Å; F75-L80 HydrophobicContact CE2-CD2 3.44Å; F75-L80 VanDerWaalsContact CE2-CD2 3.44Å; F75-L80 HydrophobicContact CG-CD2 4.16Å; F75-L80 HydrophobicContact CZ-CD2 4.36Å; E78-L80 PolarHBondContact O-N 2.97Å; L80-R82 VanDerWaalsContact C-N 3.26Å; L80-R82 PolarHBondContact O-N 2.93Å; L80-A83 PolarHBondContact O-N 2.91Å; L80-E84 WeakPolarHBondContact O-CB 3.47Å; L80-E84 PolarHBondContact O-N 3.02Å; L80-Q111 HydrophobicContact CD1-CG 4.32Å |
| 81 | D | 96.6 | Very high | 96.9 | Very high | 129 Ų | 129 | 44.2 Ų | 44.2 | 69% | 0.69 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -60 | -38.5 | 177.9 | -61.1 | -31.6 | 0 | 0 | 0 | 112 | Q79 E85 | Q79-D81 VanDerWaalsContact C-N 3.33Å; Q79-D81 PolarHBondContact O-N 2.85Å; D81-E85 WeakPolarHBondContact O-CB 3.33Å; D81-E85 PolarHBondContact O-N 3.21Å |
| 82 | R | 96.7 | Very high | 96.9 | Very high | 112 Ų | 112 | 51.2 Ų | 51.2 | 42% | 0.423 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -74 | -39.1 | 178.8 | -171.8 | 168 | -175.6 | 175 | -1 | 111.3 | A74 Q79 L80 E85 I86 | A74-R82 HydrophobicContact CB-CB 4.45Å; A74-R82 HydrophobicContact CB-CG 4.45Å; Q79-R82 HydrophobicContact CB-CB 4.08Å; Q79-R82 PolarHBondContact O-N 2.94Å; L80-R82 VanDerWaalsContact C-N 3.26Å; L80-R82 PolarHBondContact O-N 2.93Å; R82-E85 PolarHBondContact O-N 3.22Å; R82-I86 HydrophobicContact CG-CD1 4.02Å; R82-I86 WeakPolarHBondContact O-CB 3.3Å; R82-I86 WeakPolarHBondContact O-CD1 3.26Å; R82-I86 WeakPolarHBondContact O-CG1 3.29Å; R82-I86 PolarHBondContact O-N 3.03Å |
| 83 | A | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.5 | -47.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | G71 A74 F75 Q79 L80 E85 I86 F87 V107 | G71-A83 WeakPolarHBondContact O-CB 3.5Å; A74-A83 HydrophobicContact CB-CB 4.12Å; F75-A83 HydrophobicContact CB-CB 4.11Å; Q79-A83 PolarHBondContact O-N 2.99Å; L80-A83 PolarHBondContact O-N 2.91Å; A83-E85 PolarHBondContact O-N 2.89Å; A83-I86 PolarHBondContact O-N 2.98Å; A83-F87 HydrophobicContact CB-CE2 4.16Å; A83-F87 WeakPolarHBondContact O-CD2 3.22Å; A83-F87 WeakPolarHBondContact O-CG 3.34Å; A83-F87 PolarHBondContact O-N 2.97Å; A83-V107 HydrophobicContact CB-CG2 4.36Å |
| 84 | E | 98.1 | Very high | 96.8 | Very high | 22 Ų | 22 | 56.8 Ų | 56.8 | 10% | 0.103 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.2 | -50.9 | 174.2 | 179.1 | -175.9 | 168.5 | 0 | 0 | 111.3 | L80 I86 F87 R88 L104 V107 Y108 Q111 R113 | L80-E84 WeakPolarHBondContact O-CB 3.47Å; L80-E84 PolarHBondContact O-N 3.02Å; E84-I86 VanDerWaalsContact C-N 3.29Å; E84-I86 PolarHBondContact O-N 2.93Å; E84-F87 PolarHBondContact O-N 3.18Å; E84-R88 WeakPolarHBondContact O-CB 3.37Å; E84-R88 PolarHBondContact O-N 3.16Å; E84-L104 HydrophobicContact CG-CD1 3.94Å; E84-V107 HydrophobicContact CB-CG1 4.13Å; E84-Y108 VanDerWaalsContact CD-CE1 3.45Å; E84-Y108 HydrophobicContact CG-CE1 3.78Å; E84-Y108 WeakPolarHBondContact OE1-CE1 3.38Å; E84-Y108 PolarHBondContact OE1-OH 2.98Å; E84-Y108 VanDerWaalsContact OE1-OH 3.09Å; E84-Q111 PolarHBondContact OE2-NE2 3.12Å; E84-Q111 PolarHBondContact OE2-OE1 3.19Å; E84-R113 IonicContact OE1-CZ 3.05Å; E84-R113 IonicContact OE1-NH1 3.73Å; E84-R113 PolarHBondContact OE1-NH1 3.02Å; E84-R113 IonicContact OE2-NH1 2.78Å; E84-R113 PolarHBondContact OE2-NH1 2.76Å |
| 85 | E | 98.1 | Very high | 96.7 | Very high | 121 Ų | 121 | 60.6 Ų | 60.6 | 57% | 0.565 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -57.9 | -44 | -179.5 | -176.6 | 176.5 | -159.3 | 0 | 0 | 111.7 | D81 R82 A83 S89 | D81-E85 WeakPolarHBondContact O-CB 3.33Å; D81-E85 PolarHBondContact O-N 3.21Å; R82-E85 PolarHBondContact O-N 3.22Å; A83-E85 PolarHBondContact O-N 2.89Å; E85-S89 VanDerWaalsContact O-CB 3.25Å; E85-S89 WeakPolarHBondContact O-CB 3.49Å; E85-S89 PolarHBondContact O-N 3.2Å; E85-S89 PolarHBondContact O-OG 3.41Å |
| 86 | I | 97.9 | Very high | 96.6 | Very high | 27 Ų | 27 | 59.8 Ų | 59.8 | 14% | 0.138 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.5 | -55.7 | 178.2 | -69.4 | 165.7 | 0 | 0 | 0 | 110.3 | R67 L70 R82 A83 E84 R88 S89 I90 | R67-I86 HydrophobicContact CB-CG2 4.23Å; R67-I86 WeakPolarHBondContact O-CG2 3.46Å; L70-I86 HydrophobicContact CB-CD1 4.29Å; R82-I86 HydrophobicContact CG-CD1 4.02Å; R82-I86 WeakPolarHBondContact O-CB 3.3Å; R82-I86 WeakPolarHBondContact O-CD1 3.26Å; R82-I86 WeakPolarHBondContact O-CG1 3.29Å; R82-I86 PolarHBondContact O-N 3.03Å; A83-I86 PolarHBondContact O-N 2.98Å; E84-I86 VanDerWaalsContact C-N 3.29Å; E84-I86 PolarHBondContact O-N 2.93Å; I86-R88 PolarHBondContact O-N 3.01Å; I86-S89 PolarHBondContact O-N 3.34Å; I86-S89 VanDerWaalsContact O-N 3.15Å; I86-S89 PolarHBondContact O-OG 3.31Å; I86-I90 HydrophobicContact CG2-CD1 4.37Å; I86-I90 WeakPolarHBondContact O-CG1 3.47Å; I86-I90 PolarHBondContact O-N 3.5Å; I86-I90 VanDerWaalsContact O-N 3.13Å |
| 87 | F | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.6 | -44.5 | -177.4 | -62.4 | -48.5 | 0 | 0 | 0 | 111.9 | F23 N68 A83 E84 S89 I90 C91 N103 L104 V107 | F23-F87 HydrophobicContact CE2-CE2 4.41Å; F23-F87 HydrophobicContact CZ-CE2 4.43Å; N68-F87 WeakPolarHBondContact O-CE1 3.35Å; N68-F87 WeakPolarHBondContact OD1-CD1 3.5Å; A83-F87 HydrophobicContact CB-CE2 4.16Å; A83-F87 WeakPolarHBondContact O-CD2 3.22Å; A83-F87 WeakPolarHBondContact O-CG 3.34Å; A83-F87 PolarHBondContact O-N 2.97Å; E84-F87 PolarHBondContact O-N 3.18Å; F87-S89 VanDerWaalsContact C-N 3.26Å; F87-S89 PolarHBondContact O-N 3.36Å; F87-I90 HydrophobicContact CD1-CD1 4.5Å; F87-I90 WeakPolarHBondContact O-CB 3.39Å; F87-I90 PolarHBondContact O-N 3.13Å; F87-C91 PolarHBondContact O-N 3.24Å; F87-C91 PolarHBondContact O-SG 2.83Å; F87-C91 VanDerWaalsContact O-SG 3.36Å; F87-N103 HydrophobicContact CD1-CB 3.73Å; F87-N103 HydrophobicContact CD2-CB 3.91Å; F87-N103 HydrophobicContact CE1-CB 3.58Å; F87-N103 VanDerWaalsContact CE1-ND2 3.26Å; F87-N103 WeakPolarHBondContact CE1-ND2 3.49Å; F87-N103 HydrophobicContact CE2-CB 3.76Å; F87-N103 HydrophobicContact CG-CB 3.9Å; F87-N103 HydrophobicContact CZ-CB 3.59Å; F87-L104 HydrophobicContact CB-CB 3.95Å; F87-L104 HydrophobicContact CB-CD1 4.2Å; F87-V107 HydrophobicContact CD2-CG2 3.94Å; F87-V107 HydrophobicContact CE2-CG2 3.84Å |
| 88 | R | 98.2 | Very high | 97 | Very high | 101 Ų | 101 | 57.2 Ų | 57.2 | 38% | 0.381 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.4 | -35.1 | 176.1 | -171.5 | -177.8 | 68.3 | 179.5 | -3.7 | 112.5 | E84 I86 K92 L104 | E84-R88 WeakPolarHBondContact O-CB 3.37Å; E84-R88 PolarHBondContact O-N 3.16Å; I86-R88 PolarHBondContact O-N 3.01Å; R88-K92 WeakPolarHBondContact O-CG 3.37Å; R88-K92 PolarHBondContact O-N 3.42Å; R88-L104 HydrophobicContact CB-CD1 4.35Å; R88-L104 HydrophobicContact CB-CD2 4.26Å |
| 89 | S | 97.8 | Very high | 97.2 | Very high | 34 Ų | 34 | 49.1 Ų | 49.1 | 24% | 0.238 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.9 | -37.3 | 175.9 | 70.2 | 0 | 0 | 0 | 0 | 112.2 | R67 E85 I86 F87 K92 E93 | R67-S89 VanDerWaalsContact NH2-CB 3.31Å; R67-S89 PolarHBondContact NH2-OG 2.94Å; E85-S89 VanDerWaalsContact O-CB 3.25Å; E85-S89 WeakPolarHBondContact O-CB 3.49Å; E85-S89 PolarHBondContact O-N 3.2Å; E85-S89 PolarHBondContact O-OG 3.41Å; I86-S89 PolarHBondContact O-N 3.34Å; I86-S89 VanDerWaalsContact O-N 3.15Å; I86-S89 PolarHBondContact O-OG 3.31Å; F87-S89 VanDerWaalsContact C-N 3.26Å; F87-S89 PolarHBondContact O-N 3.36Å; S89-K92 PolarHBondContact O-N 3.45Å; S89-E93 WeakPolarHBondContact O-CG 3.34Å; S89-E93 PolarHBondContact O-N 2.75Å |
| 90 | I | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.4 | -50.3 | 173.9 | -59.3 | 167.4 | 0 | 0 | 0 | 109.8 | Y64 R67 N68 I86 F87 K92 E93 D94 N97 A100 | Y64-I90 HydrophobicContact CD1-CB 4.46Å; Y64-I90 HydrophobicContact CD1-CG1 4.31Å; Y64-I90 HydrophobicContact CD1-CG2 3.7Å; Y64-I90 HydrophobicContact CE1-CG2 4.32Å; Y64-I90 HydrophobicContact CG-CG2 4.2Å; R67-I90 HydrophobicContact CB-CD1 3.58Å; R67-I90 HydrophobicContact CB-CG1 3.93Å; N68-I90 HydrophobicContact CB-CD1 4.41Å; N68-I90 WeakPolarHBondContact OD1-CD1 3.39Å; I86-I90 HydrophobicContact CG2-CD1 4.37Å; I86-I90 WeakPolarHBondContact O-CG1 3.47Å; I86-I90 PolarHBondContact O-N 3.5Å; I86-I90 VanDerWaalsContact O-N 3.13Å; F87-I90 HydrophobicContact CD1-CD1 4.5Å; F87-I90 WeakPolarHBondContact O-CB 3.39Å; F87-I90 PolarHBondContact O-N 3.13Å; I90-K92 PolarHBondContact O-N 3.03Å; I90-K92 VanDerWaalsContact O-N 3.12Å; I90-E93 PolarHBondContact O-N 3.35Å; I90-D94 PolarHBondContact O-N 3.11Å; I90-N97 HydrophobicContact CG2-CB 3.83Å; I90-A100 HydrophobicContact CB-CB 3.72Å; I90-A100 HydrophobicContact CD1-CB 4.27Å; I90-A100 HydrophobicContact CG2-CB 3.51Å |
| 91 | C | 97.7 | Very high | 97.4 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 5% | 0.047 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.9 | -30.3 | 179 | -63.3 | 0 | 0 | 0 | 0 | 113.4 | F87 P95 W101 | F87-C91 PolarHBondContact O-N 3.24Å; F87-C91 PolarHBondContact O-SG 2.83Å; F87-C91 VanDerWaalsContact O-SG 3.36Å; C91-P95 VanDerWaalsContact O-CA 3.3Å; C91-P95 WeakPolarHBondContact O-CA 3.4Å; C91-W101 HydrophobicContact CB-CD2 4.04Å; C91-W101 HydrophobicContact CB-CE3 4.35Å; C91-W101 HydrophobicContact CB-CH2 4.06Å; C91-W101 HydrophobicContact CB-CZ2 3.7Å; C91-W101 HydrophobicContact CB-CZ3 4.36Å |
| 92 | K | 97.4 | Very high | 97.5 | Very high | 146 Ų | 146 | 41.3 Ų | 41.3 | 64% | 0.635 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -75.3 | -37.1 | 175.8 | -75.2 | 174.2 | -179.6 | 179.1 | 0 | 113.4 | R88 S89 I90 | R88-K92 WeakPolarHBondContact O-CG 3.37Å; R88-K92 PolarHBondContact O-N 3.42Å; S89-K92 PolarHBondContact O-N 3.45Å; I90-K92 PolarHBondContact O-N 3.03Å; I90-K92 VanDerWaalsContact O-N 3.12Å |
| 93 | E | 96.5 | Very high | 97.6 | Very high | 104 Ų | 104 | 36 Ų | 36 | 49% | 0.486 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -85.4 | -35.2 | -177.4 | -70.6 | 172.3 | -136.7 | 0 | 0 | 112.4 | Y64 R67 S89 I90 | Y64-E93 HydrophobicContact CE1-CB 4.24Å; R67-E93 IonicContact CZ-OE1 3.33Å; R67-E93 IonicContact CZ-OE2 2.79Å; R67-E93 VanDerWaalsContact NH1-CD 3.26Å; R67-E93 IonicContact NH1-OE1 2.66Å; R67-E93 PolarHBondContact NH1-OE1 2.93Å; R67-E93 IonicContact NH1-OE2 2.82Å; R67-E93 PolarHBondContact NH1-OE2 2.76Å; R67-E93 IonicContact NH2-OE1 3.22Å; R67-E93 PolarHBondContact NH2-OE1 3Å; R67-E93 IonicContact NH2-OE2 2.68Å; S89-E93 WeakPolarHBondContact O-CG 3.34Å; S89-E93 PolarHBondContact O-N 2.75Å; I90-E93 PolarHBondContact O-N 3.35Å |
| 94 | D | 95.8 | Very high | 97.6 | Very high | 16 Ų | 16 | 36.2 Ų | 36.2 | 9% | 0.086 | 18% | 0.182 | C | C | . | . | trans | -130.9 | 85.5 | 175.4 | -178.5 | 21.7 | 0 | 0 | 0 | 109.6 | Y64 I90 G96 N97 | Y64-D94 HydrophobicContact CD2-CB 4.33Å; Y64-D94 HydrophobicContact CE1-CB 4.21Å; Y64-D94 HydrophobicContact CE2-CB 3.75Å; I90-D94 PolarHBondContact O-N 3.11Å; D94-G96 PolarHBondContact O-N 3.17Å; D94-G96 VanDerWaalsContact O-N 3.08Å; D94-G96 PolarHBondContact OD1-N 3.08Å; D94-N97 HydrophobicContact CB-CB 4.22Å; D94-N97 VanDerWaalsContact O-CB 3.31Å; D94-N97 WeakPolarHBondContact O-CB 3.34Å; D94-N97 PolarHBondContact O-N 3.21Å; D94-N97 PolarHBondContact OD2-ND2 3.44Å | ||
| 95 | P | 96 | Very high | 97.6 | Very high | 80 Ų | 80 | 35.5 Ų | 35.5 | 52% | 0.519 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -20.5 | 178.4 | -26 | 35.7 | 0 | 0 | 0 | 114.1 | C91 N97 W101 L127 | C91-P95 VanDerWaalsContact O-CA 3.3Å; C91-P95 WeakPolarHBondContact O-CA 3.4Å; P95-N97 VanDerWaalsContact C-N 3.31Å; P95-W101 PolarHBondContact O-NE1 3.07Å; P95-L127 WeakPolarHBondContact O-CD1 3.49Å |
| 96 | G | 94.7 | Very high | 97.5 | Very high | 15 Ų | 15 | 33.7 Ų | 33.7 | 16% | 0.155 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 1.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | D94 L98 L143 | D94-G96 PolarHBondContact O-N 3.17Å; D94-G96 VanDerWaalsContact O-N 3.08Å; D94-G96 PolarHBondContact OD1-N 3.08Å; G96-L98 PolarHBondContact O-N 3.5Å; G96-L143 WeakPolarHBondContact O-CD2 3.35Å |
| 97 | N | 97.3 | Very high | 97.5 | Very high | 5 Ų | 5 | 32.4 Ų | 32.4 | 3% | 0.027 | 16% | 0.164 | C | C | . | . | trans | -75.4 | 92.4 | -175.7 | -160.2 | -71.2 | 0 | 0 | 0 | 112.1 | N68 I90 D94 P95 N99 A100 W101 E150 | N68-N97 PolarHBondContact ND2-OD1 3.25Å; I90-N97 HydrophobicContact CG2-CB 3.83Å; D94-N97 HydrophobicContact CB-CB 4.22Å; D94-N97 VanDerWaalsContact O-CB 3.31Å; D94-N97 WeakPolarHBondContact O-CB 3.34Å; D94-N97 PolarHBondContact O-N 3.21Å; D94-N97 PolarHBondContact OD2-ND2 3.44Å; P95-N97 VanDerWaalsContact C-N 3.31Å; N97-N99 VanDerWaalsContact C-N 3.29Å; N97-N99 PolarHBondContact O-N 3.27Å; N97-N99 PolarHBondContact OD1-N 3.04Å; N97-A100 HydrophobicContact CB-CB 3.98Å; N97-A100 PolarHBondContact O-N 3.04Å; N97-A100 WeakPolarHBondContact OD1-CB 3.1Å; N97-A100 PolarHBondContact OD1-N 3.3Å; N97-W101 VanDerWaalsContact O-CD1 3.3Å; N97-W101 PolarHBondContact O-N 3.4Å; N97-E150 PolarHBondContact ND2-OE1 2.83Å | ||
| 98 | L | 97.1 | Very high | 97.5 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -53.5 | -42.9 | 180 | -74.2 | 168.7 | 0 | 0 | 0 | 113.1 | Y18 P20 G96 A102 V124 L127 M128 L143 C147 | Y18-L98 HydrophobicContact CE2-CD1 3.95Å; Y18-L98 WeakPolarHBondContact OH-CD1 3.21Å; P20-L98 HydrophobicContact CB-CB 4.02Å; P20-L98 HydrophobicContact CG-CB 4.18Å; P20-L98 HydrophobicContact CG-CD2 4.36Å; G96-L98 PolarHBondContact O-N 3.5Å; L98-A102 WeakPolarHBondContact O-CB 3.24Å; L98-A102 PolarHBondContact O-N 3.47Å; L98-A102 VanDerWaalsContact O-N 3.11Å; L98-V124 HydrophobicContact CD2-CG1 4.33Å; L98-L127 HydrophobicContact CD2-CB 3.47Å; L98-L127 VanDerWaalsContact CD2-CB 3.47Å; L98-L127 HydrophobicContact CD2-CD1 4.1Å; L98-L127 HydrophobicContact CD2-CG 4.46Å; L98-L127 HydrophobicContact CG-CB 4.36Å; L98-M128 HydrophobicContact CD2-CG 3.81Å; L98-L143 HydrophobicContact CD1-CB 3.79Å; L98-L143 HydrophobicContact CG-CB 4.38Å; L98-C147 HydrophobicContact CB-CB 4.17Å; L98-C147 HydrophobicContact CD1-CB 4.04Å |
| 99 | N | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.1 | -41.8 | -179.1 | -77.9 | -37.5 | 0 | 0 | 0 | 112.6 | G21 H22 N97 A102 N103 C147 E150 Q151 | G21-N99 PolarHBondContact N-OD1 3.08Å; H22-N99 VanDerWaalsContact CE1-CG 3.5Å; N97-N99 VanDerWaalsContact C-N 3.29Å; N97-N99 PolarHBondContact O-N 3.27Å; N97-N99 PolarHBondContact OD1-N 3.04Å; N99-A102 PolarHBondContact O-N 3.4Å; N99-N103 WeakPolarHBondContact O-CB 3.26Å; N99-N103 PolarHBondContact O-N 2.69Å; N99-N103 PolarHBondContact O-ND2 3.5Å; N99-C147 PolarHBondContact ND2-O 3.08Å; N99-C147 PolarHBondContact OD1-SG 3.4Å; N99-E150 VanDerWaalsContact ND2-CB 3.33Å; N99-E150 WeakPolarHBondContact ND2-CB 3.43Å; N99-E150 PolarHBondContact ND2-OE2 2.94Å; N99-E150 VanDerWaalsContact ND2-OE2 3.1Å; N99-Q151 PolarHBondContact OD1-NE2 3.32Å |
| 100 | A | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66 | -41.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | I90 N97 N103 L104 | I90-A100 HydrophobicContact CB-CB 3.72Å; I90-A100 HydrophobicContact CD1-CB 4.27Å; I90-A100 HydrophobicContact CG2-CB 3.51Å; N97-A100 HydrophobicContact CB-CB 3.98Å; N97-A100 PolarHBondContact O-N 3.04Å; N97-A100 WeakPolarHBondContact OD1-CB 3.1Å; N97-A100 PolarHBondContact OD1-N 3.3Å; A100-N103 PolarHBondContact O-N 3.05Å; A100-L104 WeakPolarHBondContact O-CB 3.35Å; A100-L104 PolarHBondContact O-N 3.36Å |
| 101 | W | 98.4 | Very high | 97.1 | Very high | 48 Ų | 48 | 37.5 Ų | 37.5 | 18% | 0.182 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.9 | -47.3 | 175.1 | -75.8 | 116.3 | 0 | 0 | 0 | 112.3 | C91 P95 N97 N103 L104 G105 C120 E123 V124 | C91-W101 HydrophobicContact CB-CD2 4.04Å; C91-W101 HydrophobicContact CB-CE3 4.35Å; C91-W101 HydrophobicContact CB-CH2 4.06Å; C91-W101 HydrophobicContact CB-CZ2 3.7Å; C91-W101 HydrophobicContact CB-CZ3 4.36Å; P95-W101 PolarHBondContact O-NE1 3.07Å; N97-W101 VanDerWaalsContact O-CD1 3.3Å; N97-W101 PolarHBondContact O-N 3.4Å; W101-N103 VanDerWaalsContact C-N 3.35Å; W101-N103 PolarHBondContact O-N 2.89Å; W101-L104 HydrophobicContact CE3-CD2 4.32Å; W101-L104 HydrophobicContact CZ3-CD2 4.29Å; W101-L104 PolarHBondContact O-N 2.9Å; W101-G105 PolarHBondContact O-N 3.34Å; W101-C120 HydrophobicContact CE3-CB 4.36Å; W101-E123 HydrophobicContact CD2-CB 4.12Å; W101-E123 HydrophobicContact CE3-CB 4.31Å; W101-E123 HydrophobicContact CE3-CG 4.5Å; W101-E123 HydrophobicContact CG-CB 4.43Å; W101-E123 HydrophobicContact CH2-CG 4.3Å; W101-E123 HydrophobicContact CZ2-CG 4.37Å; W101-E123 HydrophobicContact CZ3-CG 4.37Å; W101-V124 HydrophobicContact CB-CG2 3.58Å |
| 102 | A | 98.1 | Very high | 97 | Very high | 26 Ų | 26 | 39.8 Ų | 39.8 | 22% | 0.215 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.6 | -41.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P20 L98 N99 G105 F106 V124 | P20-A102 HydrophobicContact CB-CB 3.85Å; P20-A102 WeakPolarHBondContact O-CB 3.48Å; L98-A102 WeakPolarHBondContact O-CB 3.24Å; L98-A102 PolarHBondContact O-N 3.47Å; L98-A102 VanDerWaalsContact O-N 3.11Å; N99-A102 PolarHBondContact O-N 3.4Å; A102-G105 PolarHBondContact O-N 3.42Å; A102-F106 PolarHBondContact O-N 2.91Å; A102-V124 HydrophobicContact CB-CG2 4.19Å |
| 103 | N | 98.4 | Very high | 97 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.2 | -41.2 | 175.5 | -74.9 | -17 | 0 | 0 | 0 | 112.2 | G21 H22 F23 N68 F87 N99 A100 W101 F106 V107 | G21-N103 WeakPolarHBondContact CA-OD1 3.3Å; H22-N103 PolarHBondContact N-OD1 2.92Å; H22-N103 PolarHBondContact ND1-ND2 3.17Å; F23-N103 HydrophobicContact CE2-CB 4.1Å; N68-N103 PolarHBondContact OD1-ND2 3.28Å; F87-N103 HydrophobicContact CD1-CB 3.73Å; F87-N103 HydrophobicContact CD2-CB 3.91Å; F87-N103 HydrophobicContact CE1-CB 3.58Å; F87-N103 VanDerWaalsContact CE1-ND2 3.26Å; F87-N103 WeakPolarHBondContact CE1-ND2 3.49Å; F87-N103 HydrophobicContact CE2-CB 3.76Å; F87-N103 HydrophobicContact CG-CB 3.9Å; F87-N103 HydrophobicContact CZ-CB 3.59Å; N99-N103 WeakPolarHBondContact O-CB 3.26Å; N99-N103 PolarHBondContact O-N 2.69Å; N99-N103 PolarHBondContact O-ND2 3.5Å; A100-N103 PolarHBondContact O-N 3.05Å; W101-N103 VanDerWaalsContact C-N 3.35Å; W101-N103 PolarHBondContact O-N 2.89Å; N103-F106 PolarHBondContact O-N 3.43Å; N103-V107 WeakPolarHBondContact O-CG2 3.46Å; N103-V107 PolarHBondContact O-N 2.92Å |
| 104 | L | 98.4 | Very high | 96.9 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.5 | -44.2 | 177 | -176.9 | 60.9 | 0 | 0 | 0 | 111.1 | E84 F87 R88 A100 W101 F106 V107 Y108 | E84-L104 HydrophobicContact CG-CD1 3.94Å; F87-L104 HydrophobicContact CB-CB 3.95Å; F87-L104 HydrophobicContact CB-CD1 4.2Å; R88-L104 HydrophobicContact CB-CD1 4.35Å; R88-L104 HydrophobicContact CB-CD2 4.26Å; A100-L104 WeakPolarHBondContact O-CB 3.35Å; A100-L104 PolarHBondContact O-N 3.36Å; W101-L104 HydrophobicContact CE3-CD2 4.32Å; W101-L104 HydrophobicContact CZ3-CD2 4.29Å; W101-L104 PolarHBondContact O-N 2.9Å; L104-F106 VanDerWaalsContact C-N 3.34Å; L104-F106 PolarHBondContact O-N 3.18Å; L104-V107 WeakPolarHBondContact O-CB 3.4Å; L104-V107 PolarHBondContact O-N 3.37Å; L104-V107 VanDerWaalsContact O-N 3.16Å; L104-Y108 HydrophobicContact CD1-CD2 4.35Å; L104-Y108 HydrophobicContact CD1-CE1 4.01Å; L104-Y108 HydrophobicContact CD1-CE2 3.77Å; L104-Y108 HydrophobicContact CD2-CE2 3.89Å; L104-Y108 HydrophobicContact CG-CD2 4Å; L104-Y108 HydrophobicContact CG-CE2 3.52Å; L104-Y108 PolarHBondContact O-N 2.89Å |
| 105 | G | 97.9 | Very high | 96.9 | Very high | 7 Ų | 7 | 42.1 Ų | 42.1 | 7% | 0.072 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.9 | -44.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | W101 A102 V107 Y108 D109 | W101-G105 PolarHBondContact O-N 3.34Å; A102-G105 PolarHBondContact O-N 3.42Å; G105-V107 VanDerWaalsContact C-N 3.34Å; G105-V107 PolarHBondContact O-N 3.45Å; G105-Y108 PolarHBondContact O-N 3.28Å; G105-D109 PolarHBondContact O-N 3.34Å |
| 106 | F | 97.7 | Very high | 96.9 | Very high | 84 Ų | 84 | 40.6 Ų | 40.6 | 37% | 0.368 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.5 | -39.2 | 175.1 | -172.6 | -89.3 | 0 | 0 | 0 | 112.9 | F23 F75 A102 N103 L104 T110 | F23-F106 HydrophobicContact CB-CD1 4.1Å; F23-F106 HydrophobicContact CB-CD2 4.02Å; F23-F106 HydrophobicContact CB-CE1 4.04Å; F23-F106 HydrophobicContact CB-CE2 3.97Å; F23-F106 HydrophobicContact CB-CG 4.09Å; F23-F106 HydrophobicContact CB-CZ 3.97Å; F23-F106 AromaticContact CD1-CD1 3.73Å; F23-F106 HydrophobicContact CD1-CD1 3.73Å; F23-F106 AromaticContact CD1-CE1 3.52Å; F23-F106 HydrophobicContact CD1-CE1 3.52Å; F23-F106 HydrophobicContact CD1-CZ 4.17Å; F23-F106 HydrophobicContact CD2-CB 3.64Å; F23-F106 AromaticContact CD2-CD1 3.28Å; F23-F106 HydrophobicContact CD2-CD1 3.28Å; F23-F106 HydrophobicContact CD2-CD2 4.2Å; F23-F106 AromaticContact CD2-CE1 3.94Å; F23-F106 HydrophobicContact CD2-CE1 3.94Å; F23-F106 AromaticContact CD2-CG 3.43Å; F23-F106 HydrophobicContact CD2-CG 3.43Å; F23-F106 VanDerWaalsContact CD2-CG 3.43Å; F23-F106 AromaticContact CE1-CD1 3.91Å; F23-F106 HydrophobicContact CE1-CD1 3.91Å; F23-F106 AromaticContact CE1-CE1 3.88Å; F23-F106 HydrophobicContact CE1-CE1 3.88Å; F23-F106 HydrophobicContact CE2-CB 3.94Å; F23-F106 AromaticContact CE2-CD1 3.46Å; F23-F106 HydrophobicContact CE2-CD1 3.46Å; F23-F106 VanDerWaalsContact CE2-CD1 3.46Å; F23-F106 HydrophobicContact CE2-CE1 4.25Å; F23-F106 AromaticContact CE2-CG 3.93Å; F23-F106 HydrophobicContact CE2-CG 3.93Å; F23-F106 HydrophobicContact CG-CB 4.44Å; F23-F106 AromaticContact CG-CD1 3.41Å; F23-F106 HydrophobicContact CG-CD1 3.41Å; F23-F106 VanDerWaalsContact CG-CD1 3.41Å; F23-F106 HydrophobicContact CG-CD2 4.2Å; F23-F106 AromaticContact CG-CE1 3.55Å; F23-F106 HydrophobicContact CG-CE1 3.55Å; F23-F106 HydrophobicContact CG-CE2 4.32Å; F23-F106 AromaticContact CG-CG 3.76Å; F23-F106 HydrophobicContact CG-CG 3.76Å; F23-F106 HydrophobicContact CG-CZ 4.02Å; F23-F106 AromaticContact CZ-CD1 3.77Å; F23-F106 HydrophobicContact CZ-CD1 3.77Å; F23-F106 HydrophobicContact CZ-CE1 4.23Å; F75-F106 HydrophobicContact CE1-CE1 4.05Å; F75-F106 HydrophobicContact CE2-CD1 4.21Å; F75-F106 HydrophobicContact CE2-CE1 4.06Å; F75-F106 HydrophobicContact CZ-CD1 4.18Å; F75-F106 AromaticContact CZ-CE1 3.57Å; F75-F106 HydrophobicContact CZ-CE1 3.57Å; A102-F106 PolarHBondContact O-N 2.91Å; N103-F106 PolarHBondContact O-N 3.43Å; L104-F106 VanDerWaalsContact C-N 3.34Å; L104-F106 PolarHBondContact O-N 3.18Å; F106-T110 WeakPolarHBondContact O-CB 3.39Å; F106-T110 PolarHBondContact O-N 3.08Å; F106-T110 PolarHBondContact O-OG1 3.03Å |
| 107 | V | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65 | -43.1 | 174.6 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | F75 A83 E84 F87 N103 L104 G105 T110 Q111 | F75-V107 HydrophobicContact CD2-CG2 3.95Å; F75-V107 HydrophobicContact CE2-CG2 4.42Å; A83-V107 HydrophobicContact CB-CG2 4.36Å; E84-V107 HydrophobicContact CB-CG1 4.13Å; F87-V107 HydrophobicContact CD2-CG2 3.94Å; F87-V107 HydrophobicContact CE2-CG2 3.84Å; N103-V107 WeakPolarHBondContact O-CG2 3.46Å; N103-V107 PolarHBondContact O-N 2.92Å; L104-V107 WeakPolarHBondContact O-CB 3.4Å; L104-V107 PolarHBondContact O-N 3.37Å; L104-V107 VanDerWaalsContact O-N 3.16Å; G105-V107 VanDerWaalsContact C-N 3.34Å; G105-V107 PolarHBondContact O-N 3.45Å; V107-T110 PolarHBondContact O-N 3.4Å; V107-Q111 WeakPolarHBondContact O-CG 3.19Å; V107-Q111 PolarHBondContact O-N 3.44Å |
| 108 | Y | 97.9 | Very high | 96.8 | Very high | 17 Ų | 17 | 46.3 Ų | 46.3 | 7% | 0.067 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.2 | -42.4 | 177.3 | -71.4 | -27.8 | 0 | 0 | 0 | 113.1 | E84 L104 G105 T110 Q111 G112 R113 D116 | E84-Y108 VanDerWaalsContact CD-CE1 3.45Å; E84-Y108 HydrophobicContact CG-CE1 3.78Å; E84-Y108 WeakPolarHBondContact OE1-CE1 3.38Å; E84-Y108 PolarHBondContact OE1-OH 2.98Å; E84-Y108 VanDerWaalsContact OE1-OH 3.09Å; L104-Y108 HydrophobicContact CD1-CD2 4.35Å; L104-Y108 HydrophobicContact CD1-CE1 4.01Å; L104-Y108 HydrophobicContact CD1-CE2 3.77Å; L104-Y108 HydrophobicContact CD2-CE2 3.89Å; L104-Y108 HydrophobicContact CG-CD2 4Å; L104-Y108 HydrophobicContact CG-CE2 3.52Å; L104-Y108 PolarHBondContact O-N 2.89Å; G105-Y108 PolarHBondContact O-N 3.28Å; Y108-T110 VanDerWaalsContact C-N 3.35Å; Y108-T110 PolarHBondContact O-N 3.28Å; Y108-Q111 CarbonylContact O-C 3.52Å; Y108-Q111 PolarHBondContact O-N 2.72Å; Y108-Q111 VanDerWaalsContact O-N 3.14Å; Y108-G112 PolarHBondContact O-N 3.26Å; Y108-G112 VanDerWaalsContact O-N 3.1Å; Y108-R113 HydrophobicContact CD1-CB 4.5Å; Y108-R113 PolarHBondContact O-N 3.02Å; Y108-D116 HydrophobicContact CD1-CB 4.36Å; Y108-D116 HydrophobicContact CD2-CB 3.41Å; Y108-D116 VanDerWaalsContact CD2-CB 3.41Å; Y108-D116 WeakPolarHBondContact CD2-O 3.47Å; Y108-D116 HydrophobicContact CE2-CB 3.69Å; Y108-D116 HydrophobicContact CG-CB 3.77Å |
| 109 | D | 95.8 | Very high | 96.7 | Very high | 102 Ų | 102 | 51.6 Ų | 51.6 | 55% | 0.545 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.2 | -46.4 | 173.3 | -173.5 | 58.7 | 0 | 0 | 0 | 111.2 | G105 Q111 G112 A117 | G105-D109 PolarHBondContact O-N 3.34Å; D109-Q111 PolarHBondContact O-N 3.5Å; D109-G112 PolarHBondContact O-N 2.89Å; D109-A117 HydrophobicContact CB-CB 4.37Å |
| 110 | T | 94.8 | Very high | 96.6 | Very high | 67 Ų | 67 | 51.8 Ų | 51.8 | 41% | 0.411 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.9 | -31.8 | 176 | -55.9 | 0 | 0 | 0 | 0 | 112.7 | F75 F106 V107 Y108 G112 | F75-T110 HydrophobicContact CE2-CG2 3.94Å; F75-T110 HydrophobicContact CZ-CG2 3.99Å; F106-T110 WeakPolarHBondContact O-CB 3.39Å; F106-T110 PolarHBondContact O-N 3.08Å; F106-T110 PolarHBondContact O-OG1 3.03Å; V107-T110 PolarHBondContact O-N 3.4Å; Y108-T110 VanDerWaalsContact C-N 3.35Å; Y108-T110 PolarHBondContact O-N 3.28Å; T110-G112 VanDerWaalsContact C-N 3.32Å |
| 111 | Q | 95.3 | Very high | 96.4 | Very high | 55 Ų | 55 | 55.8 Ų | 55.8 | 26% | 0.257 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -5.3 | 175.4 | -70.7 | 176.8 | -13.9 | 0 | 0 | 113.5 | L80 E84 V107 Y108 D109 R113 | L80-Q111 HydrophobicContact CD1-CG 4.32Å; E84-Q111 PolarHBondContact OE2-NE2 3.12Å; E84-Q111 PolarHBondContact OE2-OE1 3.19Å; V107-Q111 WeakPolarHBondContact O-CG 3.19Å; V107-Q111 PolarHBondContact O-N 3.44Å; Y108-Q111 CarbonylContact O-C 3.52Å; Y108-Q111 PolarHBondContact O-N 2.72Å; Y108-Q111 VanDerWaalsContact O-N 3.14Å; D109-Q111 PolarHBondContact O-N 3.5Å; Q111-R113 VanDerWaalsContact C-N 3.34Å; Q111-R113 HydrophobicContact CB-CG 4.19Å; Q111-R113 VanDerWaalsContact OE1-CD 3.27Å |
| 112 | G | 95.1 | Very high | 96.2 | Very high | 56 Ų | 56 | 58.9 Ų | 58.9 | 58% | 0.577 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 22.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114 | Y108 D109 T110 E114 | Y108-G112 PolarHBondContact O-N 3.26Å; Y108-G112 VanDerWaalsContact O-N 3.1Å; D109-G112 PolarHBondContact O-N 2.89Å; T110-G112 VanDerWaalsContact C-N 3.32Å; G112-E114 PolarHBondContact O-N 3.44Å |
| 113 | R | 96.8 | Very high | 96 | Very high | 80 Ų | 80 | 61.8 Ų | 61.8 | 30% | 0.302 | 33% | 0.328 | S | S | . | . | trans | -94.6 | 69 | 178.7 | -67.2 | 172.8 | 63.6 | -173.2 | -8.2 | 110.2 | E84 Y108 Q111 V115 D116 A117 | E84-R113 IonicContact OE1-CZ 3.05Å; E84-R113 IonicContact OE1-NH1 3.73Å; E84-R113 PolarHBondContact OE1-NH1 3.02Å; E84-R113 IonicContact OE2-NH1 2.78Å; E84-R113 PolarHBondContact OE2-NH1 2.76Å; Y108-R113 HydrophobicContact CD1-CB 4.5Å; Y108-R113 PolarHBondContact O-N 3.02Å; Q111-R113 VanDerWaalsContact C-N 3.34Å; Q111-R113 HydrophobicContact CB-CG 4.19Å; Q111-R113 VanDerWaalsContact OE1-CD 3.27Å; R113-V115 VanDerWaalsContact C-N 3.35Å; R113-V115 PolarHBondContact O-N 2.83Å; R113-D116 HydrophobicContact CB-CB 4.31Å; R113-D116 IonicContact CZ-OD2 3.66Å; R113-D116 IonicContact NE-OD2 3.5Å; R113-D116 PolarHBondContact NE-OD2 3.28Å; R113-D116 IonicContact NH2-OD1 3.69Å; R113-D116 IonicContact NH2-OD2 2.63Å; R113-D116 PolarHBondContact NH2-OD2 3.4Å; R113-D116 PolarHBondContact O-N 3.36Å; R113-A117 PolarHBondContact O-N 3.26Å | ||
| 114 | E | 94.4 | Very high | 95.9 | Very high | 139 Ų | 139 | 62.5 Ų | 62.5 | 65% | 0.65 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -55 | -44.6 | -172.9 | -66.1 | 176.1 | -179.2 | 0 | 0 | 113.2 | G112 D116 A117 E118 | G112-E114 PolarHBondContact O-N 3.44Å; E114-D116 PolarHBondContact O-N 3.17Å; E114-A117 WeakPolarHBondContact O-CB 3.36Å; E114-A117 PolarHBondContact O-N 3.35Å; E114-E118 WeakPolarHBondContact O-CG 3.24Å; E114-E118 PolarHBondContact O-N 2.97Å |
| 115 | V | 95.9 | Very high | 95.5 | Very high | 96 Ų | 96 | 63.9 Ų | 63.9 | 58% | 0.582 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62.9 | -44.5 | -178.8 | -179.2 | 0 | 0 | 0 | 0 | 111.8 | R113 A117 E118 E119 | R113-V115 VanDerWaalsContact C-N 3.35Å; R113-V115 PolarHBondContact O-N 2.83Å; V115-A117 VanDerWaalsContact C-N 3.29Å; V115-A117 PolarHBondContact O-N 3.19Å; V115-E118 PolarHBondContact O-N 3.39Å; V115-E119 WeakPolarHBondContact O-CG 3.32Å; V115-E119 PolarHBondContact O-N 2.84Å; V115-E119 VanDerWaalsContact O-N 3.1Å |
| 116 | D | 96.1 | Very high | 95.2 | Very high | 48 Ų | 48 | 66.9 Ų | 66.9 | 26% | 0.257 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -69.6 | -31.5 | 179.4 | -59.4 | -64.7 | 0 | 0 | 0 | 111.2 | Y108 R113 E114 C120 | Y108-D116 HydrophobicContact CD1-CB 4.36Å; Y108-D116 HydrophobicContact CD2-CB 3.41Å; Y108-D116 VanDerWaalsContact CD2-CB 3.41Å; Y108-D116 WeakPolarHBondContact CD2-O 3.47Å; Y108-D116 HydrophobicContact CE2-CB 3.69Å; Y108-D116 HydrophobicContact CG-CB 3.77Å; R113-D116 HydrophobicContact CB-CB 4.31Å; R113-D116 IonicContact CZ-OD2 3.66Å; R113-D116 IonicContact NE-OD2 3.5Å; R113-D116 PolarHBondContact NE-OD2 3.28Å; R113-D116 IonicContact NH2-OD1 3.69Å; R113-D116 IonicContact NH2-OD2 2.63Å; R113-D116 PolarHBondContact NH2-OD2 3.4Å; R113-D116 PolarHBondContact O-N 3.36Å; E114-D116 PolarHBondContact O-N 3.17Å; D116-C120 PolarHBondContact O-N 2.97Å; D116-C120 PolarHBondContact O-SG 3.29Å |
| 117 | A | 95.9 | Very high | 94.9 | Very high | 10 Ų | 10 | 64.4 Ų | 64.4 | 8% | 0.083 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.1 | -44 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D109 R113 E114 V115 E119 C120 V121 | D109-A117 HydrophobicContact CB-CB 4.37Å; R113-A117 PolarHBondContact O-N 3.26Å; E114-A117 WeakPolarHBondContact O-CB 3.36Å; E114-A117 PolarHBondContact O-N 3.35Å; V115-A117 VanDerWaalsContact C-N 3.29Å; V115-A117 PolarHBondContact O-N 3.19Å; A117-E119 VanDerWaalsContact C-N 3.34Å; A117-E119 PolarHBondContact O-N 3.29Å; A117-C120 WeakPolarHBondContact O-CB 3.38Å; A117-C120 PolarHBondContact O-N 3.28Å; A117-C120 VanDerWaalsContact O-N 3.15Å; A117-V121 WeakPolarHBondContact O-CG2 3.18Å; A117-V121 PolarHBondContact O-N 3.44Å |
| 118 | E | 94.3 | Very high | 94.5 | Very high | 129 Ų | 129 | 65.9 Ų | 65.9 | 60% | 0.603 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -58.4 | -44 | 174 | -75.7 | -179.2 | 174.7 | 0 | 0 | 111.5 | E114 V115 C120 V121 D122 | E114-E118 WeakPolarHBondContact O-CG 3.24Å; E114-E118 PolarHBondContact O-N 2.97Å; V115-E118 PolarHBondContact O-N 3.39Å; E118-C120 VanDerWaalsContact C-N 3.29Å; E118-C120 PolarHBondContact O-N 2.82Å; E118-V121 PolarHBondContact O-N 2.96Å; E118-V121 VanDerWaalsContact O-N 3.12Å; E118-D122 PolarHBondContact O-N 3.06Å |
| 119 | E | 95.9 | Very high | 93.9 | Very high | 114 Ų | 114 | 66 Ų | 66 | 53% | 0.533 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.4 | -41 | 175.1 | -73.1 | -177.9 | -176.7 | 0 | 0 | 112 | V115 A117 D122 E123 | V115-E119 WeakPolarHBondContact O-CG 3.32Å; V115-E119 PolarHBondContact O-N 2.84Å; V115-E119 VanDerWaalsContact O-N 3.1Å; A117-E119 VanDerWaalsContact C-N 3.34Å; A117-E119 PolarHBondContact O-N 3.29Å; E119-D122 PolarHBondContact O-N 3.38Å; E119-E123 WeakPolarHBondContact O-CG 3.35Å; E119-E123 PolarHBondContact O-N 3.11Å; E119-E123 VanDerWaalsContact O-N 3.08Å |
| 120 | C | 96.4 | Very high | 92.8 | Very high | 4 Ų | 4 | 66.3 Ų | 66.3 | 3% | 0.027 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66 | -38.3 | 176.7 | -66.1 | 0 | 0 | 0 | 0 | 112.2 | W101 D116 A117 E118 E123 V124 | W101-C120 HydrophobicContact CE3-CB 4.36Å; D116-C120 PolarHBondContact O-N 2.97Å; D116-C120 PolarHBondContact O-SG 3.29Å; A117-C120 WeakPolarHBondContact O-CB 3.38Å; A117-C120 PolarHBondContact O-N 3.28Å; A117-C120 VanDerWaalsContact O-N 3.15Å; E118-C120 VanDerWaalsContact C-N 3.29Å; E118-C120 PolarHBondContact O-N 2.82Å; C120-E123 PolarHBondContact O-N 3.47Å; C120-V124 WeakPolarHBondContact O-CG2 3.1Å; C120-V124 PolarHBondContact O-N 3.3Å |
| 121 | V | 94 | Very high | 91.3 | Very high | 84 Ų | 84 | 69.3 Ų | 69.3 | 51% | 0.509 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.7 | -44.7 | 176.9 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | A117 E118 E123 V124 S125 | A117-V121 WeakPolarHBondContact O-CG2 3.18Å; A117-V121 PolarHBondContact O-N 3.44Å; E118-V121 PolarHBondContact O-N 2.96Å; E118-V121 VanDerWaalsContact O-N 3.12Å; V121-E123 VanDerWaalsContact C-N 3.31Å; V121-E123 PolarHBondContact O-N 3.43Å; V121-V124 PolarHBondContact O-N 2.82Å; V121-S125 PolarHBondContact O-N 3.42Å; V121-S125 PolarHBondContact O-OG 3Å |
| 122 | D | 93.3 | Very high | 89.4 | Confident | 113 Ų | 113 | 69.6 Ų | 69.6 | 60% | 0.604 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -58.7 | -42.5 | 176.9 | -78.6 | -15.3 | 0 | 0 | 0 | 111.7 | E118 E119 S125 C126 | E118-D122 PolarHBondContact O-N 3.06Å; E119-D122 PolarHBondContact O-N 3.38Å; D122-S125 PolarHBondContact O-N 3.25Å; D122-C126 WeakPolarHBondContact O-CB 3.43Å; D122-C126 PolarHBondContact O-N 3.34Å |
| 123 | E | 95.1 | Very high | 87.6 | Confident | 87 Ų | 87 | 69.8 Ų | 69.8 | 41% | 0.407 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 174.9 | -72.8 | -63.3 | 164.5 | 0 | 0 | 112.1 | W101 E119 C120 V121 S125 C126 L127 | W101-E123 HydrophobicContact CD2-CB 4.12Å; W101-E123 HydrophobicContact CE3-CB 4.31Å; W101-E123 HydrophobicContact CE3-CG 4.5Å; W101-E123 HydrophobicContact CG-CB 4.43Å; W101-E123 HydrophobicContact CH2-CG 4.3Å; W101-E123 HydrophobicContact CZ2-CG 4.37Å; W101-E123 HydrophobicContact CZ3-CG 4.37Å; E119-E123 WeakPolarHBondContact O-CG 3.35Å; E119-E123 PolarHBondContact O-N 3.11Å; E119-E123 VanDerWaalsContact O-N 3.08Å; C120-E123 PolarHBondContact O-N 3.47Å; V121-E123 VanDerWaalsContact C-N 3.31Å; V121-E123 PolarHBondContact O-N 3.43Å; E123-S125 PolarHBondContact O-N 3.32Å; E123-C126 WeakPolarHBondContact O-CB 3.22Å; E123-C126 PolarHBondContact O-N 2.9Å; E123-L127 VanDerWaalsContact O-CG 3.31Å; E123-L127 WeakPolarHBondContact O-CG 3.4Å; E123-L127 PolarHBondContact O-N 2.95Å |
| 124 | V | 94.6 | Very high | 85.5 | Confident | 16 Ų | 16 | 73.1 Ų | 73.1 | 10% | 0.097 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59.6 | -47.2 | 175.4 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | P20 L98 W101 A102 C120 V121 C126 L127 M128 | P20-V124 HydrophobicContact CB-CG1 4.33Å; P20-V124 HydrophobicContact CG-CG1 3.92Å; L98-V124 HydrophobicContact CD2-CG1 4.33Å; W101-V124 HydrophobicContact CB-CG2 3.58Å; A102-V124 HydrophobicContact CB-CG2 4.19Å; C120-V124 WeakPolarHBondContact O-CG2 3.1Å; C120-V124 PolarHBondContact O-N 3.3Å; V121-V124 PolarHBondContact O-N 2.82Å; V124-C126 VanDerWaalsContact C-N 3.3Å; V124-C126 PolarHBondContact O-N 3.22Å; V124-L127 PolarHBondContact O-N 3.23Å; V124-M128 HydrophobicContact CG1-CG 4.3Å; V124-M128 HydrophobicContact CG1-SD 3.85Å; V124-M128 WeakPolarHBondContact O-CB 3.4Å; V124-M128 VanDerWaalsContact O-CG 3.28Å; V124-M128 WeakPolarHBondContact O-CG 3Å; V124-M128 PolarHBondContact O-N 3.23Å |
| 125 | S | 91.6 | Very high | 83.6 | Confident | 34 Ų | 34 | 74.7 Ų | 74.7 | 24% | 0.238 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61.6 | -38 | 177.8 | -68.8 | 0 | 0 | 0 | 0 | 112.4 | V121 D122 E123 G129 M130 | V121-S125 PolarHBondContact O-N 3.42Å; V121-S125 PolarHBondContact O-OG 3Å; D122-S125 PolarHBondContact O-N 3.25Å; E123-S125 PolarHBondContact O-N 3.32Å; S125-G129 PolarHBondContact O-N 3.05Å; S125-M130 WeakPolarHBondContact O-CB 3.48Å; S125-M130 PolarHBondContact O-N 3.07Å |
| 126 | C | 90.8 | Very high | 81.9 | Confident | 69 Ų | 69 | 71.4 Ų | 71.4 | 47% | 0.466 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.1 | -49.6 | 174.6 | -172.7 | 0 | 0 | 0 | 0 | 111.6 | D122 E123 V124 M128 G129 | D122-C126 WeakPolarHBondContact O-CB 3.43Å; D122-C126 PolarHBondContact O-N 3.34Å; E123-C126 WeakPolarHBondContact O-CB 3.22Å; E123-C126 PolarHBondContact O-N 2.9Å; V124-C126 VanDerWaalsContact C-N 3.3Å; V124-C126 PolarHBondContact O-N 3.22Å; C126-M128 VanDerWaalsContact C-N 3.31Å; C126-M128 PolarHBondContact O-N 3.45Å; C126-G129 PolarHBondContact O-N 2.93Å |
| 127 | L | 91.4 | Very high | 81.1 | Confident | 33 Ų | 33 | 74 Ų | 74 | 17% | 0.173 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65.7 | -31.9 | 179.7 | -68.4 | 173.7 | 0 | 0 | 0 | 113.1 | P95 L98 E123 V124 G129 T140 L143 | P95-L127 WeakPolarHBondContact O-CD1 3.49Å; L98-L127 HydrophobicContact CD2-CB 3.47Å; L98-L127 VanDerWaalsContact CD2-CB 3.47Å; L98-L127 HydrophobicContact CD2-CD1 4.1Å; L98-L127 HydrophobicContact CD2-CG 4.46Å; L98-L127 HydrophobicContact CG-CB 4.36Å; E123-L127 VanDerWaalsContact O-CG 3.31Å; E123-L127 WeakPolarHBondContact O-CG 3.4Å; E123-L127 PolarHBondContact O-N 2.95Å; V124-L127 PolarHBondContact O-N 3.23Å; L127-G129 PolarHBondContact O-N 3.36Å; L127-T140 PolarHBondContact O-OG1 3.12Å; L127-L143 HydrophobicContact CB-CD1 4.26Å; L127-L143 HydrophobicContact CD2-CD1 4.01Å |
| 128 | M | 89.2 | Confident | 80.5 | Confident | 30 Ų | 30 | 79.2 Ų | 79.2 | 15% | 0.148 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -0.4 | 172.9 | -70.2 | -175.3 | 75.2 | 0 | 0 | 113.3 | M16 Y18 P20 L98 V124 C126 M130 T140 | M16-M128 HydrophobicContact SD-CE 4.16Å; Y18-M128 HydrophobicContact CE1-CE 4.24Å; Y18-M128 HydrophobicContact CE2-CE 4.36Å; P20-M128 HydrophobicContact CG-SD 3.77Å; L98-M128 HydrophobicContact CD2-CG 3.81Å; V124-M128 HydrophobicContact CG1-CG 4.3Å; V124-M128 HydrophobicContact CG1-SD 3.85Å; V124-M128 WeakPolarHBondContact O-CB 3.4Å; V124-M128 VanDerWaalsContact O-CG 3.28Å; V124-M128 WeakPolarHBondContact O-CG 3Å; V124-M128 PolarHBondContact O-N 3.23Å; C126-M128 VanDerWaalsContact C-N 3.31Å; C126-M128 PolarHBondContact O-N 3.45Å; M128-M130 VanDerWaalsContact C-N 3.25Å; M128-M130 HydrophobicContact CB-CG 4.27Å; M128-M130 HydrophobicContact CE-CE 4.17Å; M128-M130 PolarHBondContact O-N 3.2Å; M128-M130 HydrophobicContact SD-CE 4.38Å; M128-T140 WeakPolarHBondContact O-CG2 3.37Å |
| 129 | G | 84.4 | Confident | 80.2 | Confident | 20 Ų | 20 | 79.7 Ų | 79.7 | 21% | 0.206 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 17.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S125 C126 L127 N131 S132 | S125-G129 PolarHBondContact O-N 3.05Å; C126-G129 PolarHBondContact O-N 2.93Å; L127-G129 PolarHBondContact O-N 3.36Å; G129-N131 PolarHBondContact O-N 2.94Å; G129-N131 VanDerWaalsContact O-N 3.13Å; G129-S132 VanDerWaalsContact CA-OG 3.32Å; G129-S132 WeakPolarHBondContact CA-OG 3.34Å; G129-S132 PolarHBondContact O-N 3.19Å; G129-S132 PolarHBondContact O-OG 3.4Å |
| 130 | M | 74.5 | Confident | 79.9 | Confident | 108 Ų | 108 | 75.6 Ų | 75.6 | 53% | 0.532 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -17.1 | 178.9 | -63.8 | -170.3 | 171.9 | 0 | 0 | 112.5 | M16 S125 M128 | M16-M130 HydrophobicContact SD-CE 4.07Å; S125-M130 WeakPolarHBondContact O-CB 3.48Å; S125-M130 PolarHBondContact O-N 3.07Å; M128-M130 VanDerWaalsContact C-N 3.25Å; M128-M130 HydrophobicContact CB-CG 4.27Å; M128-M130 HydrophobicContact CE-CE 4.17Å; M128-M130 PolarHBondContact O-N 3.2Å; M128-M130 HydrophobicContact SD-CE 4.38Å |
| 131 | N | 62 | Low | 79.6 | Confident | 131 Ų | 131 | 80.6 Ų | 80.6 | 70% | 0.701 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | 3.6 | -176 | -64.6 | -31.7 | 0 | 0 | 0 | 114.6 | G129 | G129-N131 PolarHBondContact O-N 2.94Å; G129-N131 VanDerWaalsContact O-N 3.13Å |
| 132 | S | 56.8 | Low | 79.6 | Confident | 60 Ų | 60 | 78.1 Ų | 78.1 | 42% | 0.42 | 43% | 0.429 | S | S | . | . | trans | -124.1 | 148.6 | -170.7 | 54.8 | 0 | 0 | 0 | 0 | 114.1 | G129 A136 | G129-S132 VanDerWaalsContact CA-OG 3.32Å; G129-S132 WeakPolarHBondContact CA-OG 3.34Å; G129-S132 PolarHBondContact O-N 3.19Å; G129-S132 PolarHBondContact O-OG 3.4Å; S132-A136 WeakPolarHBondContact OG-CB 3.36Å | ||
| 133 | G | 56 | Low | 79.6 | Confident | 61 Ų | 61 | 73.5 Ų | 73.5 | 63% | 0.629 | 40% | 0.404 | S | S | * | . | trans | -75.6 | 177.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | D135 A136 | G133-D135 PolarHBondContact O-N 2.87Å; G133-A136 PolarHBondContact O-N 2.91Å; G133-A136 VanDerWaalsContact O-N 3.12Å | ||
| 134 | D | 53.7 | Low | 79.5 | Confident | 150 Ų | 150 | 69.5 Ų | 69.5 | 80% | 0.802 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -49.6 | -22.7 | -167.7 | -77.8 | -23.7 | 0 | 0 | 0 | 116.9 | A136 | D134-A136 PolarHBondContact O-N 3.48Š|
| 135 | D | 53.5 | Low | 79.6 | Confident | 172 Ų | 172 | 68.7 Ų | 68.7 | 92% | 0.92 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -75.7 | -16.7 | -179.7 | -74.3 | -25.4 | 0 | 0 | 0 | 114.2 | G133 Q137 | G133-D135 PolarHBondContact O-N 2.87Å; D135-Q137 VanDerWaalsContact C-N 3.31Å; D135-Q137 PolarHBondContact O-N 3.48Å |
| 136 | A | 61.6 | Low | 79.8 | Confident | 26 Ų | 26 | 68.5 Ų | 68.5 | 22% | 0.215 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -84.1 | -1.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S132 G133 D134 E138 E139 T140 | S132-A136 WeakPolarHBondContact OG-CB 3.36Å; G133-A136 PolarHBondContact O-N 2.91Å; G133-A136 VanDerWaalsContact O-N 3.12Å; D134-A136 PolarHBondContact O-N 3.48Å; A136-E138 PolarHBondContact O-N 2.96Å; A136-E139 PolarHBondContact O-N 3.45Å; A136-T140 PolarHBondContact O-N 3.42Å; A136-T140 VanDerWaalsContact O-N 3.13Å; A136-T140 PolarHBondContact O-OG1 2.99Å; A136-T140 VanDerWaalsContact O-OG1 3.11Å |
| 137 | Q | 77.3 | Confident | 80.1 | Confident | 104 Ų | 104 | 65.3 Ų | 65.3 | 49% | 0.486 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -70.3 | -31.3 | -166.2 | -161.4 | 177 | 41.4 | 0 | 0 | 114.1 | D135 R141 | D135-Q137 VanDerWaalsContact C-N 3.31Å; D135-Q137 PolarHBondContact O-N 3.48Å; Q137-R141 VanDerWaalsContact CD-NH2 3.29Å; Q137-R141 WeakPolarHBondContact O-CB 3.44Å; Q137-R141 WeakPolarHBondContact O-CG 3.45Å; Q137-R141 PolarHBondContact O-N 3.28Å |
| 138 | E | 84.7 | Confident | 80.4 | Confident | 119 Ų | 119 | 64 Ų | 64 | 56% | 0.556 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -73 | -42.3 | 178 | -67.7 | -170.7 | 165.2 | 0 | 0 | 112 | A136 R141 L142 L188 | A136-E138 PolarHBondContact O-N 2.96Å; E138-R141 PolarHBondContact O-N 3.39Å; E138-L142 PolarHBondContact O-N 3.41Å; E138-L188 HydrophobicContact CB-CD1 3.99Å; E138-L188 HydrophobicContact CB-CD2 4.14Å; E138-L188 HydrophobicContact CG-CD1 4.32Å; E138-L188 HydrophobicContact CG-CD2 4.23Å; E138-L188 WeakPolarHBondContact O-CD1 3.45Å |
| 139 | E | 87.6 | Confident | 80.8 | Confident | 138 Ų | 138 | 62.8 Ų | 62.8 | 65% | 0.645 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.7 | -49.2 | 177.3 | -175.4 | 168.3 | -162 | 0 | 0 | 110.7 | A136 R141 L142 L143 | A136-E139 PolarHBondContact O-N 3.45Å; E139-R141 VanDerWaalsContact C-N 3.26Å; E139-R141 PolarHBondContact O-N 2.99Å; E139-L142 PolarHBondContact O-N 2.65Å; E139-L143 HydrophobicContact CG-CD1 4.49Å; E139-L143 WeakPolarHBondContact O-CG 3.24Å; E139-L143 PolarHBondContact O-N 3.31Å |
| 140 | T | 89.1 | Confident | 81.4 | Confident | 28 Ų | 28 | 62.4 Ų | 62.4 | 17% | 0.172 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56.8 | -38.6 | 175.3 | -58.8 | 0 | 0 | 0 | 0 | 112.4 | L127 M128 A136 L143 A144 | L127-T140 PolarHBondContact O-OG1 3.12Å; M128-T140 WeakPolarHBondContact O-CG2 3.37Å; A136-T140 PolarHBondContact O-N 3.42Å; A136-T140 VanDerWaalsContact O-N 3.13Å; A136-T140 PolarHBondContact O-OG1 2.99Å; A136-T140 VanDerWaalsContact O-OG1 3.11Å; T140-L143 PolarHBondContact O-N 3.36Å; T140-A144 VanDerWaalsContact O-CB 3.31Å; T140-A144 WeakPolarHBondContact O-CB 3.46Å; T140-A144 PolarHBondContact O-N 3.32Å |
| 141 | R | 91 | Very high | 82.5 | Confident | 109 Ų | 109 | 57.5 Ų | 57.5 | 41% | 0.411 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 175.9 | -79.2 | 175.2 | -174.1 | 169.4 | 8.8 | 112.7 | Q137 E138 E139 A145 L188 | Q137-R141 VanDerWaalsContact CD-NH2 3.29Å; Q137-R141 WeakPolarHBondContact O-CB 3.44Å; Q137-R141 WeakPolarHBondContact O-CG 3.45Å; Q137-R141 PolarHBondContact O-N 3.28Å; E138-R141 PolarHBondContact O-N 3.39Å; E139-R141 VanDerWaalsContact C-N 3.26Å; E139-R141 PolarHBondContact O-N 2.99Å; R141-A145 WeakPolarHBondContact O-CB 3.41Å; R141-A145 PolarHBondContact O-N 3.44Å; R141-L188 HydrophobicContact CB-CD1 4.03Å |
| 142 | L | 92.8 | Very high | 84.2 | Confident | 33 Ų | 33 | 51.3 Ų | 51.3 | 17% | 0.173 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.6 | -42.9 | 176.1 | -179.5 | 60 | 0 | 0 | 0 | 111.2 | E138 E139 A145 R146 I189 | E138-L142 PolarHBondContact O-N 3.41Å; E139-L142 PolarHBondContact O-N 2.65Å; L142-A145 WeakPolarHBondContact O-CB 3.49Å; L142-A145 PolarHBondContact O-N 3.36Å; L142-R146 PolarHBondContact O-N 3.19Å; L142-I189 HydrophobicContact CD1-CG1 4.27Å |
| 143 | L | 94 | Very high | 86 | Confident | 16 Ų | 16 | 48.6 Ų | 48.6 | 8% | 0.084 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 174.9 | -62.7 | -175.4 | 0 | 0 | 0 | 111.3 | G96 L98 L127 E139 T140 A145 R146 C147 | G96-L143 WeakPolarHBondContact O-CD2 3.35Å; L98-L143 HydrophobicContact CD1-CB 3.79Å; L98-L143 HydrophobicContact CG-CB 4.38Å; L127-L143 HydrophobicContact CB-CD1 4.26Å; L127-L143 HydrophobicContact CD2-CD1 4.01Å; E139-L143 HydrophobicContact CG-CD1 4.49Å; E139-L143 WeakPolarHBondContact O-CG 3.24Å; E139-L143 PolarHBondContact O-N 3.31Å; T140-L143 PolarHBondContact O-N 3.36Å; L143-A145 VanDerWaalsContact C-N 3.33Å; L143-A145 PolarHBondContact O-N 2.91Å; L143-R146 PolarHBondContact O-N 3.12Å; L143-C147 VanDerWaalsContact O-CB 3.31Å; L143-C147 WeakPolarHBondContact O-CB 3.38Å; L143-C147 PolarHBondContact O-N 3.16Å |
| 144 | A | 94 | Very high | 87.9 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 2% | 0.017 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.1 | -44 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y18 T140 C147 L148 Y184 | Y18-A144 HydrophobicContact CD1-CB 4.12Å; Y18-A144 HydrophobicContact CE1-CB 3.37Å; Y18-A144 HydrophobicContact CE2-CB 4.1Å; Y18-A144 WeakPolarHBondContact OH-CB 3.18Å; T140-A144 VanDerWaalsContact O-CB 3.31Å; T140-A144 WeakPolarHBondContact O-CB 3.46Å; T140-A144 PolarHBondContact O-N 3.32Å; A144-C147 WeakPolarHBondContact O-CB 3.49Å; A144-C147 PolarHBondContact O-N 3.17Å; A144-L148 WeakPolarHBondContact O-CG 3.49Å; A144-L148 PolarHBondContact O-N 3.07Å; A144-Y184 HydrophobicContact CB-CD1 4.37Å |
| 145 | A | 95.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.4 | -44.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R141 L142 L143 L148 A149 A181 I189 W197 | R141-A145 WeakPolarHBondContact O-CB 3.41Å; R141-A145 PolarHBondContact O-N 3.44Å; L142-A145 WeakPolarHBondContact O-CB 3.49Å; L142-A145 PolarHBondContact O-N 3.36Å; L143-A145 VanDerWaalsContact C-N 3.33Å; L143-A145 PolarHBondContact O-N 2.91Å; A145-L148 PolarHBondContact O-N 3.46Å; A145-A149 WeakPolarHBondContact O-CB 3.36Å; A145-A149 PolarHBondContact O-N 2.97Å; A145-A181 VanDerWaalsContact CB-O 3.31Å; A145-A181 WeakPolarHBondContact CB-O 3.36Å; A145-A181 VanDerWaalsContact O-CB 3.26Å; A145-A181 WeakPolarHBondContact O-CB 3.15Å; A145-I189 HydrophobicContact CB-CD1 4.49Å; A145-I189 HydrophobicContact CB-CG1 4.39Å; A145-W197 HydrophobicContact CB-CH2 4.19Å |
| 146 | R | 96.6 | Very high | 91.8 | Very high | 29 Ų | 29 | 32 Ų | 32 | 11% | 0.109 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.5 | -43.5 | 175.9 | -73.2 | 177.5 | 175.1 | 161.1 | -1.8 | 111.7 | Y61 L142 L143 L148 A149 E150 E193 W197 | Y61-R146 VanDerWaalsContact CE1-NH1 3.33Å; Y61-R146 VanDerWaalsContact CZ-CZ 3.43Å; Y61-R146 VanDerWaalsContact CZ-NH1 3.34Å; Y61-R146 PolarHBondContact OH-NH1 2.97Å; L142-R146 PolarHBondContact O-N 3.19Å; L143-R146 PolarHBondContact O-N 3.12Å; R146-L148 PolarHBondContact O-N 2.89Å; R146-A149 PolarHBondContact O-N 2.92Å; R146-E150 WeakPolarHBondContact O-CG 3.43Å; R146-E150 PolarHBondContact O-N 3.37Å; R146-E193 IonicContact CZ-OE1 3.31Å; R146-E193 IonicContact CZ-OE2 2.96Å; R146-E193 IonicContact NE-OE1 3.31Å; R146-E193 IonicContact NE-OE2 2.58Å; R146-E193 PolarHBondContact NE-OE2 2.92Å; R146-E193 IonicContact NH2-OE1 2.92Å; R146-E193 PolarHBondContact NH2-OE1 3.32Å; R146-E193 IonicContact NH2-OE2 3.86Å; R146-E193 PolarHBondContact NH2-OE2 2.87Å; R146-W197 HydrophobicContact CG-CZ2 4.23Å |
| 147 | C | 96.8 | Very high | 93.3 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.02 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -52.4 | -52.5 | 174.9 | -174.6 | 0 | 0 | 0 | 0 | 111.5 | Y18 L98 N99 L143 A144 A149 E150 Q151 | Y18-C147 HydrophobicContact CD2-CB 4.49Å; Y18-C147 HydrophobicContact CE2-CB 4.16Å; L98-C147 HydrophobicContact CB-CB 4.17Å; L98-C147 HydrophobicContact CD1-CB 4.04Å; N99-C147 PolarHBondContact ND2-O 3.08Å; N99-C147 PolarHBondContact OD1-SG 3.4Å; L143-C147 VanDerWaalsContact O-CB 3.31Å; L143-C147 WeakPolarHBondContact O-CB 3.38Å; L143-C147 PolarHBondContact O-N 3.16Å; A144-C147 WeakPolarHBondContact O-CB 3.49Å; A144-C147 PolarHBondContact O-N 3.17Å; C147-A149 PolarHBondContact O-N 3.38Å; C147-E150 PolarHBondContact O-N 3.2Å; C147-Q151 WeakPolarHBondContact O-CG 3.24Å; C147-Q151 PolarHBondContact O-N 3.37Å |
| 148 | L | 97.3 | Very high | 94 | Very high | 6 Ų | 6 | 28.4 Ų | 28.4 | 3% | 0.031 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.9 | -38.2 | 178.4 | -71.5 | 168.1 | 0 | 0 | 0 | 112.9 | A144 A145 R146 Q151 A152 L177 K180 A181 Y184 | A144-L148 WeakPolarHBondContact O-CG 3.49Å; A144-L148 PolarHBondContact O-N 3.07Å; A145-L148 PolarHBondContact O-N 3.46Å; R146-L148 PolarHBondContact O-N 2.89Å; L148-Q151 PolarHBondContact O-N 2.82Å; L148-A152 WeakPolarHBondContact O-CB 3.49Å; L148-A152 PolarHBondContact O-N 2.99Å; L148-L177 HydrophobicContact CD2-CD2 3.92Å; L148-K180 HydrophobicContact CD1-CB 4.14Å; L148-A181 HydrophobicContact CB-CB 3.79Å; L148-Y184 HydrophobicContact CD1-CD2 3.63Å; L148-Y184 HydrophobicContact CD1-CE2 4.07Å; L148-Y184 HydrophobicContact CD1-CG 4.23Å |
| 149 | A | 97.3 | Very high | 94.1 | Very high | 4 Ų | 4 | 23 Ų | 23 | 3% | 0.033 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -68.4 | -37 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | A145 R146 C147 A152 Y153 Y178 A181 W197 | A145-A149 WeakPolarHBondContact O-CB 3.36Å; A145-A149 PolarHBondContact O-N 2.97Å; R146-A149 PolarHBondContact O-N 2.92Å; C147-A149 PolarHBondContact O-N 3.38Å; A149-A152 WeakPolarHBondContact O-CB 3.29Å; A149-A152 PolarHBondContact O-N 3.21Å; A149-Y153 PolarHBondContact O-N 3.16Å; A149-Y153 VanDerWaalsContact O-N 3.15Å; A149-Y178 HydrophobicContact CB-CD1 4.12Å; A149-Y178 HydrophobicContact CB-CE1 3.97Å; A149-Y178 WeakPolarHBondContact O-CE1 3.42Å; A149-A181 HydrophobicContact CB-CB 4.03Å; A149-W197 HydrophobicContact CB-CD2 3.87Å; A149-W197 HydrophobicContact CB-CE3 4.17Å; A149-W197 HydrophobicContact CB-CH2 3.86Å; A149-W197 HydrophobicContact CB-CZ2 3.54Å; A149-W197 HydrophobicContact CB-CZ3 4.14Å |
| 150 | E | 97.1 | Very high | 94 | Very high | 12 Ų | 12 | 17.7 Ų | 17.7 | 6% | 0.056 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -68.1 | -42.7 | 173 | -71.2 | -177.6 | -167.8 | 0 | 0 | 111.8 | A65 N68 N97 N99 R146 C147 A152 Y153 | A65-E150 HydrophobicContact CB-CB 4.13Å; A65-E150 HydrophobicContact CB-CG 3.85Å; N68-E150 PolarHBondContact ND2-OE2 2.97Å; N97-E150 PolarHBondContact ND2-OE1 2.83Å; N99-E150 VanDerWaalsContact ND2-CB 3.33Å; N99-E150 WeakPolarHBondContact ND2-CB 3.43Å; N99-E150 PolarHBondContact ND2-OE2 2.94Å; N99-E150 VanDerWaalsContact ND2-OE2 3.1Å; R146-E150 WeakPolarHBondContact O-CG 3.43Å; R146-E150 PolarHBondContact O-N 3.37Å; C147-E150 PolarHBondContact O-N 3.2Å; E150-A152 VanDerWaalsContact C-N 3.29Å; E150-A152 PolarHBondContact O-N 3.45Å; E150-Y153 WeakPolarHBondContact O-CB 3.28Å; E150-Y153 PolarHBondContact O-N 3.32Å; E150-Y153 VanDerWaalsContact O-N 3.11Å |
| 151 | Q | 97.7 | Very high | 93.6 | Very high | 5 Ų | 5 | 17.6 Ų | 17.6 | 2% | 0.023 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.8 | -40.4 | 173.9 | -70.1 | 174.5 | -16.9 | 0 | 0 | 111.4 | I19 G21 H24 L25 N99 C147 L148 Y153 V154 Y155 L177 | I19-Q151 PolarHBondContact O-NE2 3.13Å; G21-Q151 PolarHBondContact O-NE2 2.95Å; H24-Q151 PolarHBondContact NE2-NE2 2.81Å; L25-Q151 HydrophobicContact CD1-CB 4.03Å; L25-Q151 HydrophobicContact CD1-CG 4.08Å; L25-Q151 HydrophobicContact CD2-CB 4.21Å; L25-Q151 HydrophobicContact CD2-CG 4.17Å; N99-Q151 PolarHBondContact OD1-NE2 3.32Å; C147-Q151 WeakPolarHBondContact O-CG 3.24Å; C147-Q151 PolarHBondContact O-N 3.37Å; L148-Q151 PolarHBondContact O-N 2.82Å; Q151-Y153 VanDerWaalsContact C-N 3.26Å; Q151-Y153 PolarHBondContact O-N 3.46Å; Q151-V154 PolarHBondContact O-N 3.03Å; Q151-Y155 WeakPolarHBondContact O-CD2 3.36Å; Q151-L177 HydrophobicContact CB-CD1 4.2Å |
| 152 | A | 97.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60 | -36.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L148 A149 E150 V154 A174 L177 Y178 | L148-A152 WeakPolarHBondContact O-CB 3.49Å; L148-A152 PolarHBondContact O-N 2.99Å; A149-A152 WeakPolarHBondContact O-CB 3.29Å; A149-A152 PolarHBondContact O-N 3.21Å; E150-A152 VanDerWaalsContact C-N 3.29Å; E150-A152 PolarHBondContact O-N 3.45Å; A152-V154 PolarHBondContact O-N 2.78Å; A152-A174 WeakPolarHBondContact CB-O 3.37Å; A152-A174 WeakPolarHBondContact O-CB 2.95Å; A152-L177 HydrophobicContact CB-CB 3.56Å; A152-L177 HydrophobicContact CB-CD1 4.49Å; A152-Y178 HydrophobicContact CB-CD1 3.9Å; A152-Y178 HydrophobicContact CB-CD2 3.52Å; A152-Y178 HydrophobicContact CB-CE1 3.95Å; A152-Y178 HydrophobicContact CB-CE2 3.59Å; A152-Y178 HydrophobicContact CB-CG 3.67Å |
| 153 | Y | 95.9 | Very high | 92.4 | Very high | 3 Ų | 3 | 17.7 Ų | 17.7 | 1% | 0.012 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.3 | -27.8 | -178.4 | 178.1 | -95.3 | 0 | 0 | 0 | 112.6 | E54 L62 A65 V66 L69 A149 E150 Q151 P156 Y157 K200 | E54-Y153 VanDerWaalsContact CD-OH 3.26Å; E54-Y153 PolarHBondContact OE1-OH 3.08Å; L62-Y153 HydrophobicContact CD1-CD2 3.83Å; L62-Y153 HydrophobicContact CD1-CE2 4.14Å; L62-Y153 HydrophobicContact CD1-CG 4.42Å; A65-Y153 HydrophobicContact CB-CD1 3.68Å; A65-Y153 HydrophobicContact CB-CE1 4.38Å; A65-Y153 HydrophobicContact CB-CG 3.78Å; V66-Y153 HydrophobicContact CG2-CE1 3.97Å; V66-Y153 WeakPolarHBondContact CG2-OH 3.38Å; L69-Y153 HydrophobicContact CD2-CE1 4.24Å; A149-Y153 PolarHBondContact O-N 3.16Å; A149-Y153 VanDerWaalsContact O-N 3.15Å; E150-Y153 WeakPolarHBondContact O-CB 3.28Å; E150-Y153 PolarHBondContact O-N 3.32Å; E150-Y153 VanDerWaalsContact O-N 3.11Å; Q151-Y153 VanDerWaalsContact C-N 3.26Å; Q151-Y153 PolarHBondContact O-N 3.46Å; Y153-P156 WeakPolarHBondContact O-CD 3.41Å; Y153-Y157 HydrophobicContact CD1-CE2 4.48Å; Y153-Y157 HydrophobicContact CD2-CE2 4.3Å; Y153-Y157 HydrophobicContact CE1-CD2 4.29Å; Y153-Y157 AromaticContact CE1-CE2 3.95Å; Y153-Y157 HydrophobicContact CE1-CE2 3.95Å; Y153-Y157 AromaticContact CE2-CE2 3.75Å; Y153-Y157 HydrophobicContact CE2-CE2 3.75Å; Y153-Y157 AromaticContact CZ-CE2 3.54Å; Y153-Y157 AromaticContact CZ-CZ 3.74Å; Y153-Y157 WeakPolarHBondContact O-CD2 3.17Å; Y153-Y157 PolarHBondContact OH-OH 3.3Å; Y153-Y157 VanDerWaalsContact OH-OH 3.14Å; Y153-K200 HydrophobicContact CE2-CD 4.41Å |
| 154 | V | 95.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.012 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -74.1 | -37.2 | -174.8 | 172.8 | 0 | 0 | 0 | 0 | 113.6 | H22 L27 L69 L72 Q151 A152 Y157 D158 | H22-V154 VanDerWaalsContact CD2-CG2 3.45Å; H22-V154 WeakPolarHBondContact CD2-CG2 3.42Å; L27-V154 HydrophobicContact CD1-CG1 3.49Å; L27-V154 VanDerWaalsContact CD1-CG1 3.49Å; L27-V154 HydrophobicContact CD2-CG1 4.01Å; L27-V154 HydrophobicContact CG-CG1 4.42Å; L69-V154 HydrophobicContact CB-CG2 4.1Å; L69-V154 HydrophobicContact CD1-CB 4.3Å; L69-V154 HydrophobicContact CD1-CG1 3.58Å; L69-V154 HydrophobicContact CD1-CG2 3.99Å; L69-V154 HydrophobicContact CD2-CG2 4.44Å; L69-V154 HydrophobicContact CG-CG2 4.4Å; L72-V154 HydrophobicContact CD2-CG1 4.19Å; Q151-V154 PolarHBondContact O-N 3.03Å; A152-V154 PolarHBondContact O-N 2.78Å; V154-Y157 CarbonylContact O-C 3.59Å; V154-Y157 WeakPolarHBondContact O-CA 3.45Å; V154-Y157 PolarHBondContact O-N 3.37Å; V154-D158 PolarHBondContact O-N 3.02Å |
| 155 | Y | 95.6 | Very high | 91.6 | Very high | 14 Ų | 14 | 24.5 Ų | 24.5 | 6% | 0.055 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -54.1 | -43.8 | -172.7 | -81.9 | -90.2 | 0 | 0 | 0 | 115.3 | L25 L27 Q151 Y157 D158 K170 L177 | L25-Y155 HydrophobicContact CD1-CE2 4.49Å; L27-Y155 HydrophobicContact CD2-CD1 3.91Å; L27-Y155 HydrophobicContact CD2-CD2 4.41Å; L27-Y155 HydrophobicContact CD2-CE1 4.01Å; L27-Y155 HydrophobicContact CD2-CE2 4.47Å; L27-Y155 HydrophobicContact CD2-CG 4.13Å; Q151-Y155 WeakPolarHBondContact O-CD2 3.36Å; Y155-Y157 PolarHBondContact O-N 3.28Å; Y155-Y157 VanDerWaalsContact O-N 3.15Å; Y155-D158 WeakPolarHBondContact O-CB 3.31Å; Y155-D158 PolarHBondContact O-N 2.73Å; Y155-K170 WeakPolarHBondContact CB-O 3.48Å; Y155-K170 HydrophobicContact CD1-CB 4.08Å; Y155-K170 HydrophobicContact CD1-CD 3.92Å; Y155-K170 HydrophobicContact CD1-CG 4.48Å; Y155-K170 HydrophobicContact CE1-CD 4.26Å; Y155-L177 HydrophobicContact CD2-CD1 3.92Å; Y155-L177 HydrophobicContact CE2-CD1 3.33Å |
| 156 | P | 93.3 | Very high | 91.1 | Very high | 18 Ų | 18 | 27.6 Ų | 27.6 | 12% | 0.117 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -63.2 | -15.7 | 175.6 | -22.9 | 33.8 | 0 | 0 | 0 | 115.2 | Y153 L171 A174 I204 | Y153-P156 WeakPolarHBondContact O-CD 3.41Å; P156-L171 HydrophobicContact CB-CD2 3.86Å; P156-L171 HydrophobicContact CG-CD2 3.94Å; P156-A174 HydrophobicContact CG-CB 4.29Å; P156-I204 HydrophobicContact CG-CD1 3.97Å; P156-I204 HydrophobicContact CG-CG1 4.17Å |
| 157 | Y | 91.7 | Very high | 90.8 | Very high | 46 Ų | 46 | 26.8 Ų | 26.8 | 18% | 0.18 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -108.9 | 5 | -175.7 | -62.5 | -95.6 | 0 | 0 | 0 | 113.2 | K47 L51 E54 L69 Y153 V154 Y155 | K47-Y157 HydrophobicContact CD-CD1 4.12Å; K47-Y157 WeakPolarHBondContact CE-O 3.17Å; L51-Y157 HydrophobicContact CD2-CD1 3.73Å; L51-Y157 HydrophobicContact CD2-CE1 3.67Å; L51-Y157 HydrophobicContact CD2-CG 4.44Å; L51-Y157 HydrophobicContact CG-CD1 4.37Å; E54-Y157 PolarHBondContact OE1-OH 3.07Å; E54-Y157 PolarHBondContact OE2-OH 3.49Å; E54-Y157 VanDerWaalsContact OE2-OH 3.09Å; L69-Y157 HydrophobicContact CD2-CD2 4.3Å; L69-Y157 HydrophobicContact CD2-CG 3.98Å; Y153-Y157 HydrophobicContact CD1-CE2 4.48Å; Y153-Y157 HydrophobicContact CD2-CE2 4.3Å; Y153-Y157 HydrophobicContact CE1-CD2 4.29Å; Y153-Y157 AromaticContact CE1-CE2 3.95Å; Y153-Y157 HydrophobicContact CE1-CE2 3.95Å; Y153-Y157 AromaticContact CE2-CE2 3.75Å; Y153-Y157 HydrophobicContact CE2-CE2 3.75Å; Y153-Y157 AromaticContact CZ-CE2 3.54Å; Y153-Y157 AromaticContact CZ-CZ 3.74Å; Y153-Y157 WeakPolarHBondContact O-CD2 3.17Å; Y153-Y157 PolarHBondContact OH-OH 3.3Å; Y153-Y157 VanDerWaalsContact OH-OH 3.14Å; V154-Y157 CarbonylContact O-C 3.59Å; V154-Y157 WeakPolarHBondContact O-CA 3.45Å; V154-Y157 PolarHBondContact O-N 3.37Å; Y155-Y157 PolarHBondContact O-N 3.28Å; Y155-Y157 VanDerWaalsContact O-N 3.15Å |
| 158 | D | 91.9 | Very high | 90.6 | Very high | 9 Ų | 9 | 28 Ų | 28 | 5% | 0.048 | 15% | 0.15 | C | C | . | . | trans | -58.1 | 166.1 | 174.7 | -166.3 | 14.9 | 0 | 0 | 0 | 111.9 | L27 N28 L29 V154 Y155 L161 K170 | L27-D158 WeakPolarHBondContact CA-OD2 3.43Å; L27-D158 HydrophobicContact CD2-CB 4.29Å; N28-D158 PolarHBondContact N-OD1 3.02Å; N28-D158 PolarHBondContact N-OD2 3.32Å; L29-D158 PolarHBondContact N-OD1 3.06Å; V154-D158 PolarHBondContact O-N 3.02Å; Y155-D158 WeakPolarHBondContact O-CB 3.31Å; Y155-D158 PolarHBondContact O-N 2.73Å; D158-L161 HydrophobicContact CB-CD1 4.07Å; D158-L161 HydrophobicContact CB-CD2 4.24Å; D158-L161 HydrophobicContact CB-CG 4.33Å; D158-L161 WeakPolarHBondContact O-CD1 3.49Å; D158-K170 WeakPolarHBondContact OD2-CE 3.29Å | ||
| 159 | V | 88.1 | Confident | 90.4 | Very high | 5 Ų | 5 | 32.5 Ų | 32.5 | 3% | 0.03 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -97.3 | 165.5 | -179.3 | -62.9 | 0 | 0 | 0 | 0 | 111.3 | N28 L29 R40 L161 | N28-V159 HydrophobicContact CB-CG2 4.45Å; N28-V159 WeakPolarHBondContact CB-O 3.39Å; N28-V159 PolarHBondContact ND2-O 2.91Å; L29-V159 HydrophobicContact CB-CG2 4.06Å; L29-V159 HydrophobicContact CD1-CG1 4.16Å; L29-V159 HydrophobicContact CD1-CG2 3.72Å; R40-V159 HydrophobicContact CG-CG2 4.19Å; V159-L161 VanDerWaalsContact C-N 3.28Å; V159-L161 PolarHBondContact O-N 3.44Å |
| 160 | E | 84.1 | Confident | 90.3 | Very high | 28 Ų | 28 | 33 Ų | 33 | 13% | 0.131 | 17% | 0.172 | C | C | . | . | trans | 61 | 32.7 | 176.1 | -56.5 | 176.3 | 170.3 | 0 | 0 | 114.2 | R40 D162 | R40-E160 IonicContact CZ-OE1 2.68Å; R40-E160 IonicContact CZ-OE2 3.45Å; R40-E160 IonicContact NE-OE1 2.7Å; R40-E160 PolarHBondContact NE-OE1 2.65Å; R40-E160 IonicContact NE-OE2 2.6Å; R40-E160 VanDerWaalsContact NH2-CD 3.33Å; R40-E160 IonicContact NH2-OE1 3.34Å; R40-E160 PolarHBondContact NH2-OE1 2.74Å; R40-E160 IonicContact NH2-OE2 3.64Å; R40-E160 PolarHBondContact NH2-OE2 3.35Å; E160-D162 VanDerWaalsContact C-N 3.32Å; E160-D162 PolarHBondContact O-N 3.38Å | ||
| 161 | L | 81.3 | Confident | 90.2 | Very high | 26 Ų | 26 | 32.4 Ų | 32.4 | 14% | 0.136 | 17% | 0.17 | C | C | . | . | trans | -90.5 | 33.1 | -179.5 | -55.9 | -178.9 | 0 | 0 | 0 | 114.1 | D158 V159 S163 L167 K170 | D158-L161 HydrophobicContact CB-CD1 4.07Å; D158-L161 HydrophobicContact CB-CD2 4.24Å; D158-L161 HydrophobicContact CB-CG 4.33Å; D158-L161 WeakPolarHBondContact O-CD1 3.49Å; V159-L161 VanDerWaalsContact C-N 3.28Å; V159-L161 PolarHBondContact O-N 3.44Å; L161-S163 VanDerWaalsContact C-N 3.31Å; L161-S163 PolarHBondContact O-N 2.81Å; L161-L167 HydrophobicContact CB-CB 4.4Å; L161-L167 HydrophobicContact CB-CD1 4.28Å; L161-L167 HydrophobicContact CD1-CD1 3.8Å; L161-K170 HydrophobicContact CD2-CB 4.46Å; L161-K170 HydrophobicContact CD2-CG 3.66Å | ||
| 162 | D | 75.4 | Confident | 90.1 | Very high | 96 Ų | 96 | 36.2 Ų | 36.2 | 51% | 0.513 | 19% | 0.189 | S | C | . | . | trans | -68.4 | -32.7 | -174.8 | -58.5 | -39.4 | 0 | 0 | 0 | 113.2 | E160 R462 | E160-D162 VanDerWaalsContact C-N 3.32Å; E160-D162 PolarHBondContact O-N 3.38Å; D162-R462 IonicContact OD1-CZ 2.89Å; D162-R462 IonicContact OD1-NE 3.17Å; D162-R462 IonicContact OD1-NH1 3.51Å; D162-R462 PolarHBondContact OD1-NH1 2.78Å; D162-R462 IonicContact OD1-NH2 3.9Å; D162-R462 WeakPolarHBondContact OD2-CD 3.37Å; D162-R462 IonicContact OD2-CZ 3.11Å; D162-R462 IonicContact OD2-NE 3.61Å; D162-R462 IonicContact OD2-NH1 3.73Å; D162-R462 PolarHBondContact OD2-NH1 3.5Å | ||
| 163 | S | 82.6 | Confident | 90.1 | Very high | 48 Ų | 48 | 37.6 Ų | 37.6 | 34% | 0.336 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -77.5 | 128.6 | 175.8 | 176.5 | 0 | 0 | 0 | 0 | 109.8 | L161 D165 N166 L167 | L161-S163 VanDerWaalsContact C-N 3.31Å; L161-S163 PolarHBondContact O-N 2.81Å; S163-D165 PolarHBondContact O-N 3.38Å; S163-D165 VanDerWaalsContact O-N 3.14Å; S163-D165 PolarHBondContact OG-N 2.91Å; S163-N166 PolarHBondContact O-N 3.02Å; S163-L167 PolarHBondContact O-N 3.25Å |
| 164 | N | 85 | Confident | 90.2 | Very high | 71 Ų | 71 | 37.5 Ų | 37.5 | 38% | 0.38 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -54.3 | -29.9 | 170.3 | -80.8 | -16.5 | 0 | 0 | 0 | 112.4 | T168 I211 | N164-T168 VanDerWaalsContact O-CB 3.28Å; N164-T168 WeakPolarHBondContact O-CB 3.49Å; N164-T168 PolarHBondContact O-N 3.4Å; N164-T168 PolarHBondContact O-OG1 2.89Å; N164-I211 HydrophobicContact CB-CG2 3.75Å |
| 165 | D | 86 | Confident | 90.2 | Very high | 89 Ų | 89 | 37.6 Ų | 37.6 | 48% | 0.476 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -73 | -48.3 | 178.8 | -65.8 | -27.7 | 0 | 0 | 0 | 111.2 | S163 L167 T168 E169 K215 | S163-D165 PolarHBondContact O-N 3.38Å; S163-D165 VanDerWaalsContact O-N 3.14Å; S163-D165 PolarHBondContact OG-N 2.91Å; D165-L167 VanDerWaalsContact C-N 3.32Å; D165-L167 PolarHBondContact O-N 3.47Å; D165-T168 WeakPolarHBondContact O-CB 3.41Å; D165-T168 PolarHBondContact O-N 3.34Å; D165-T168 VanDerWaalsContact O-N 3.15Å; D165-E169 PolarHBondContact O-N 3.44Å; D165-K215 IonicContact OD1-NZ 2.76Å; D165-K215 PolarHBondContact OD1-NZ 3.22Å |
| 166 | N | 86.3 | Confident | 90.3 | Very high | 66 Ų | 66 | 39.8 Ų | 39.8 | 35% | 0.353 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.5 | -44.9 | 175.3 | -67.4 | 2.6 | 0 | 0 | 0 | 110.9 | S163 T168 E169 K170 | S163-N166 PolarHBondContact O-N 3.02Å; N166-T168 VanDerWaalsContact C-N 3.34Å; N166-T168 PolarHBondContact O-N 3.38Å; N166-E169 WeakPolarHBondContact O-CB 3.41Å; N166-E169 PolarHBondContact O-N 3.41Å; N166-K170 WeakPolarHBondContact O-CG 3.33Å; N166-K170 PolarHBondContact O-N 2.97Å |
| 167 | L | 89.7 | Confident | 90.5 | Very high | 11 Ų | 11 | 39.9 Ų | 39.9 | 6% | 0.058 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.4 | -43.2 | 176.8 | 178.8 | 59.9 | 0 | 0 | 0 | 111.3 | L161 S163 D165 E169 K170 L171 I211 | L161-L167 HydrophobicContact CB-CB 4.4Å; L161-L167 HydrophobicContact CB-CD1 4.28Å; L161-L167 HydrophobicContact CD1-CD1 3.8Å; S163-L167 PolarHBondContact O-N 3.25Å; D165-L167 VanDerWaalsContact C-N 3.32Å; D165-L167 PolarHBondContact O-N 3.47Å; L167-E169 VanDerWaalsContact C-N 3.32Å; L167-E169 PolarHBondContact O-N 3.42Å; L167-K170 PolarHBondContact O-N 3.47Å; L167-L171 HydrophobicContact CD1-CD1 4.12Å; L167-L171 HydrophobicContact CD1-CD2 4.46Å; L167-L171 HydrophobicContact CD1-CG 4.05Å; L167-L171 HydrophobicContact CG-CD1 4.02Å; L167-L171 HydrophobicContact CG-CG 4.36Å; L167-L171 WeakPolarHBondContact O-CB 3.33Å; L167-L171 WeakPolarHBondContact O-CG 3.44Å; L167-L171 PolarHBondContact O-N 3.42Å; L167-I211 HydrophobicContact CD2-CD1 3.57Å; L167-I211 HydrophobicContact CD2-CG1 4.45Å; L167-I211 HydrophobicContact CG-CD1 3.86Å |
| 168 | T | 92.1 | Very high | 90.8 | Very high | 29 Ų | 29 | 37.9 Ų | 37.9 | 18% | 0.178 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.6 | -44.8 | 176.8 | -63.2 | 0 | 0 | 0 | 0 | 111.1 | N164 D165 N166 L171 M172 L208 | N164-T168 VanDerWaalsContact O-CB 3.28Å; N164-T168 WeakPolarHBondContact O-CB 3.49Å; N164-T168 PolarHBondContact O-N 3.4Å; N164-T168 PolarHBondContact O-OG1 2.89Å; D165-T168 WeakPolarHBondContact O-CB 3.41Å; D165-T168 PolarHBondContact O-N 3.34Å; D165-T168 VanDerWaalsContact O-N 3.15Å; N166-T168 VanDerWaalsContact C-N 3.34Å; N166-T168 PolarHBondContact O-N 3.38Å; T168-L171 PolarHBondContact O-N 2.94Å; T168-M172 HydrophobicContact CG2-CG 4.38Å; T168-M172 WeakPolarHBondContact O-CB 3.18Å; T168-M172 VanDerWaalsContact O-CG 3.24Å; T168-M172 WeakPolarHBondContact O-CG 3.44Å; T168-M172 PolarHBondContact O-N 3.34Å; T168-L208 HydrophobicContact CG2-CD2 3.87Å |
| 169 | E | 93.2 | Very high | 91 | Very high | 100 Ų | 100 | 40.1 Ų | 40.1 | 47% | 0.467 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59 | -52.3 | 177.8 | -170.9 | -171.3 | 147.6 | 0 | 0 | 111.6 | D165 N166 L167 L171 M172 S173 | D165-E169 PolarHBondContact O-N 3.44Å; N166-E169 WeakPolarHBondContact O-CB 3.41Å; N166-E169 PolarHBondContact O-N 3.41Å; L167-E169 VanDerWaalsContact C-N 3.32Å; L167-E169 PolarHBondContact O-N 3.42Å; E169-L171 VanDerWaalsContact C-N 3.34Å; E169-L171 PolarHBondContact O-N 3.18Å; E169-M172 PolarHBondContact O-N 2.88Å; E169-M172 VanDerWaalsContact O-N 3.11Å; E169-S173 PolarHBondContact O-N 3.28Å; E169-S173 PolarHBondContact O-OG 3.01Å |
| 170 | K | 95.1 | Very high | 91.3 | Very high | 14 Ų | 14 | 45 Ų | 45 | 6% | 0.061 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.8 | -41.8 | 178.8 | -60.2 | -47.5 | -176.7 | -172.6 | 0 | 112.2 | E26 N28 Y155 D158 L161 N166 L167 M172 S173 A174 | E26-K170 PolarHBondContact O-NZ 3.42Å; N28-K170 WeakPolarHBondContact OD1-CE 3.31Å; N28-K170 PolarHBondContact OD1-NZ 3.32Å; Y155-K170 WeakPolarHBondContact CB-O 3.48Å; Y155-K170 HydrophobicContact CD1-CB 4.08Å; Y155-K170 HydrophobicContact CD1-CD 3.92Å; Y155-K170 HydrophobicContact CD1-CG 4.48Å; Y155-K170 HydrophobicContact CE1-CD 4.26Å; D158-K170 WeakPolarHBondContact OD2-CE 3.29Å; L161-K170 HydrophobicContact CD2-CB 4.46Å; L161-K170 HydrophobicContact CD2-CG 3.66Å; N166-K170 WeakPolarHBondContact O-CG 3.33Å; N166-K170 PolarHBondContact O-N 2.97Å; L167-K170 PolarHBondContact O-N 3.47Å; K170-M172 VanDerWaalsContact C-N 3.31Å; K170-M172 PolarHBondContact O-N 3.34Å; K170-S173 PolarHBondContact O-N 3.21Å; K170-A174 PolarHBondContact O-N 3.47Å |
| 171 | L | 95.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.1 | -36.5 | 176.2 | -70.4 | 179.9 | 0 | 0 | 0 | 112.4 | P156 L167 T168 E169 A174 L175 I204 R207 L208 I211 | P156-L171 HydrophobicContact CB-CD2 3.86Å; P156-L171 HydrophobicContact CG-CD2 3.94Å; L167-L171 HydrophobicContact CD1-CD1 4.12Å; L167-L171 HydrophobicContact CD1-CD2 4.46Å; L167-L171 HydrophobicContact CD1-CG 4.05Å; L167-L171 HydrophobicContact CG-CD1 4.02Å; L167-L171 HydrophobicContact CG-CG 4.36Å; L167-L171 WeakPolarHBondContact O-CB 3.33Å; L167-L171 WeakPolarHBondContact O-CG 3.44Å; L167-L171 PolarHBondContact O-N 3.42Å; T168-L171 PolarHBondContact O-N 2.94Å; E169-L171 VanDerWaalsContact C-N 3.34Å; E169-L171 PolarHBondContact O-N 3.18Å; L171-A174 WeakPolarHBondContact O-CB 3.43Å; L171-L175 WeakPolarHBondContact O-CG 3.33Å; L171-L175 PolarHBondContact O-N 2.95Å; L171-L175 VanDerWaalsContact O-N 3.15Å; L171-I204 HydrophobicContact CB-CG2 3.82Å; L171-I204 HydrophobicContact CD2-CG1 4.22Å; L171-I204 HydrophobicContact CD2-CG2 3.96Å; L171-I204 HydrophobicContact CG-CG2 4.31Å; L171-R207 HydrophobicContact CD1-CB 4.35Å; L171-R207 HydrophobicContact CD1-CG 4.02Å; L171-L208 HydrophobicContact CB-CD1 4.37Å; L171-L208 HydrophobicContact CB-CD2 3.87Å; L171-L208 HydrophobicContact CB-CG 4.14Å; L171-L208 HydrophobicContact CD1-CD2 3.91Å; L171-L208 HydrophobicContact CD1-CG 4.07Å; L171-I211 HydrophobicContact CD1-CD1 3.86Å |
| 172 | M | 95.9 | Very high | 92.6 | Very high | 85 Ų | 85 | 43.9 Ų | 43.9 | 42% | 0.419 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -69.8 | -39.3 | 175 | -71.9 | -63.2 | -63.7 | 0 | 0 | 111.9 | T168 E169 K170 A174 L175 S176 L208 | T168-M172 HydrophobicContact CG2-CG 4.38Å; T168-M172 WeakPolarHBondContact O-CB 3.18Å; T168-M172 VanDerWaalsContact O-CG 3.24Å; T168-M172 WeakPolarHBondContact O-CG 3.44Å; T168-M172 PolarHBondContact O-N 3.34Å; E169-M172 PolarHBondContact O-N 2.88Å; E169-M172 VanDerWaalsContact O-N 3.11Å; K170-M172 VanDerWaalsContact C-N 3.31Å; K170-M172 PolarHBondContact O-N 3.34Å; M172-A174 VanDerWaalsContact C-N 3.34Å; M172-A174 PolarHBondContact O-N 2.73Å; M172-L175 PolarHBondContact O-N 3.42Å; M172-L175 HydrophobicContact SD-CD1 4.19Å; M172-S176 PolarHBondContact O-N 3.38Å; M172-L208 HydrophobicContact SD-CD1 3.79Å |
| 173 | S | 96.6 | Very high | 93.4 | Very high | 30 Ų | 30 | 46.7 Ų | 46.7 | 21% | 0.21 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.6 | -42.4 | 173.1 | -63.2 | 0 | 0 | 0 | 0 | 111.7 | E169 K170 L175 S176 L177 | E169-S173 PolarHBondContact O-N 3.28Å; E169-S173 PolarHBondContact O-OG 3.01Å; K170-S173 PolarHBondContact O-N 3.21Å; S173-L175 PolarHBondContact O-N 3.5Å; S173-S176 WeakPolarHBondContact O-CB 3.46Å; S173-S176 PolarHBondContact O-N 2.69Å; S173-L177 PolarHBondContact O-N 2.89Å |
| 174 | A | 97.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.5 | -49.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A152 P156 K170 L171 M172 S176 L177 Y178 I204 | A152-A174 WeakPolarHBondContact CB-O 3.37Å; A152-A174 WeakPolarHBondContact O-CB 2.95Å; P156-A174 HydrophobicContact CG-CB 4.29Å; K170-A174 PolarHBondContact O-N 3.47Å; L171-A174 WeakPolarHBondContact O-CB 3.43Å; M172-A174 VanDerWaalsContact C-N 3.34Å; M172-A174 PolarHBondContact O-N 2.73Å; A174-S176 VanDerWaalsContact C-N 3.3Å; A174-S176 PolarHBondContact O-N 2.7Å; A174-L177 PolarHBondContact O-N 3.2Å; A174-Y178 WeakPolarHBondContact O-CD2 3.41Å; A174-Y178 PolarHBondContact O-N 2.98Å; A174-I204 HydrophobicContact CB-CD1 3.85Å |
| 175 | L | 97.8 | Very high | 93.8 | Very high | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.3 | -36.3 | 179 | -72.2 | 174.6 | 0 | 0 | 0 | 112.7 | L171 M172 S173 S179 M201 I204 Y205 L208 | L171-L175 WeakPolarHBondContact O-CG 3.33Å; L171-L175 PolarHBondContact O-N 2.95Å; L171-L175 VanDerWaalsContact O-N 3.15Å; M172-L175 PolarHBondContact O-N 3.42Å; M172-L175 HydrophobicContact SD-CD1 4.19Å; S173-L175 PolarHBondContact O-N 3.5Å; L175-S179 WeakPolarHBondContact O-CB 3.31Å; L175-S179 PolarHBondContact O-N 3.31Å; L175-S179 PolarHBondContact O-OG 3.05Å; L175-M201 HydrophobicContact CD2-CB 3.99Å; L175-M201 HydrophobicContact CD2-CE 4.07Å; L175-M201 HydrophobicContact CD2-CG 4.15Å; L175-I204 HydrophobicContact CD1-CG2 3.88Å; L175-I204 HydrophobicContact CD2-CB 4.15Å; L175-I204 HydrophobicContact CD2-CD1 4.47Å; L175-I204 HydrophobicContact CD2-CG2 3.99Å; L175-I204 HydrophobicContact CG-CB 4.41Å; L175-I204 HydrophobicContact CG-CG2 3.71Å; L175-Y205 HydrophobicContact CD1-CD1 3.95Å; L175-Y205 HydrophobicContact CD1-CD2 4.48Å; L175-Y205 HydrophobicContact CD1-CE1 3.55Å; L175-Y205 HydrophobicContact CD1-CE2 4.11Å; L175-Y205 HydrophobicContact CD1-CG 4.4Å; L175-Y205 HydrophobicContact CD2-CD2 3.94Å; L175-Y205 HydrophobicContact CD2-CE2 3.54Å; L175-Y205 HydrophobicContact CG-CE2 4.46Å; L175-L208 HydrophobicContact CD1-CD1 3.59Å |
| 176 | S | 96.8 | Very high | 94.1 | Very high | 59 Ų | 59 | 40.9 Ų | 40.9 | 41% | 0.413 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.4 | -48 | 175 | -175.5 | 0 | 0 | 0 | 0 | 111 | M172 S173 A174 S179 K180 | M172-S176 PolarHBondContact O-N 3.38Å; S173-S176 WeakPolarHBondContact O-CB 3.46Å; S173-S176 PolarHBondContact O-N 2.69Å; A174-S176 VanDerWaalsContact C-N 3.3Å; A174-S176 PolarHBondContact O-N 2.7Å; S176-S179 PolarHBondContact O-N 3.31Å; S176-K180 WeakPolarHBondContact O-CG 3.42Å; S176-K180 PolarHBondContact O-N 2.87Å |
| 177 | L | 96.9 | Very high | 94.3 | Very high | 21 Ų | 21 | 45.3 Ų | 45.3 | 11% | 0.11 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.3 | -43.4 | 178.5 | -72.7 | 171.8 | 0 | 0 | 0 | 112.7 | L148 Q151 A152 Y155 S173 A174 S179 K180 A181 | L148-L177 HydrophobicContact CD2-CD2 3.92Å; Q151-L177 HydrophobicContact CB-CD1 4.2Å; A152-L177 HydrophobicContact CB-CB 3.56Å; A152-L177 HydrophobicContact CB-CD1 4.49Å; Y155-L177 HydrophobicContact CD2-CD1 3.92Å; Y155-L177 HydrophobicContact CE2-CD1 3.33Å; S173-L177 PolarHBondContact O-N 2.89Å; A174-L177 PolarHBondContact O-N 3.2Å; L177-S179 VanDerWaalsContact C-N 3.3Å; L177-S179 PolarHBondContact O-N 3.16Å; L177-K180 WeakPolarHBondContact O-CB 3.5Å; L177-K180 PolarHBondContact O-N 3.01Å; L177-A181 WeakPolarHBondContact O-CB 3.46Å; L177-A181 PolarHBondContact O-N 3.07Å |
| 178 | Y | 97.7 | Very high | 94.5 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.8 | -39.5 | 172.7 | -82.7 | -58 | 0 | 0 | 0 | 112.4 | A149 A152 A174 K180 A181 L182 W197 K200 M201 I204 | A149-Y178 HydrophobicContact CB-CD1 4.12Å; A149-Y178 HydrophobicContact CB-CE1 3.97Å; A149-Y178 WeakPolarHBondContact O-CE1 3.42Å; A152-Y178 HydrophobicContact CB-CD1 3.9Å; A152-Y178 HydrophobicContact CB-CD2 3.52Å; A152-Y178 HydrophobicContact CB-CE1 3.95Å; A152-Y178 HydrophobicContact CB-CE2 3.59Å; A152-Y178 HydrophobicContact CB-CG 3.67Å; A174-Y178 WeakPolarHBondContact O-CD2 3.41Å; A174-Y178 PolarHBondContact O-N 2.98Å; Y178-K180 VanDerWaalsContact C-N 3.34Å; Y178-A181 WeakPolarHBondContact O-CB 3.44Å; Y178-A181 PolarHBondContact O-N 3.41Å; Y178-L182 VanDerWaalsContact O-CG 3.29Å; Y178-L182 WeakPolarHBondContact O-CG 3.44Å; Y178-L182 PolarHBondContact O-N 3.44Å; Y178-W197 HydrophobicContact CD1-CB 4.18Å; Y178-W197 HydrophobicContact CD1-CG 4.36Å; Y178-W197 HydrophobicContact CE1-CB 4.21Å; Y178-W197 HydrophobicContact CE1-CG 4.2Å; Y178-K200 HydrophobicContact CE2-CB 4.43Å; Y178-M201 HydrophobicContact CD1-CG 4.44Å; Y178-M201 HydrophobicContact CD2-CG 3.67Å; Y178-M201 HydrophobicContact CE2-CG 4.43Å; Y178-M201 HydrophobicContact CG-CG 3.68Å; Y178-M201 HydrophobicContact CG-SD 4.21Å; Y178-I204 HydrophobicContact CD2-CD1 4.45Å; Y178-I204 HydrophobicContact CE2-CD1 4.18Å |
| 179 | S | 96.9 | Very high | 94.6 | Very high | 57 Ų | 57 | 45.6 Ų | 45.6 | 40% | 0.399 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.4 | -39.3 | 177.1 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | L175 S176 L177 H183 | L175-S179 WeakPolarHBondContact O-CB 3.31Å; L175-S179 PolarHBondContact O-N 3.31Å; L175-S179 PolarHBondContact O-OG 3.05Å; S176-S179 PolarHBondContact O-N 3.31Å; L177-S179 VanDerWaalsContact C-N 3.3Å; L177-S179 PolarHBondContact O-N 3.16Å; S179-H183 PolarHBondContact O-N 2.96Å; S179-H183 VanDerWaalsContact O-N 3.12Å |
| 180 | K | 95.2 | Very high | 94.7 | Very high | 106 Ų | 106 | 43.5 Ų | 43.5 | 46% | 0.461 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.3 | -49.3 | 171.3 | -70.5 | 177.4 | -178.9 | -176.1 | 0 | 110.7 | L148 S176 L177 Y178 L182 H183 Y184 | L148-K180 HydrophobicContact CD1-CB 4.14Å; S176-K180 WeakPolarHBondContact O-CG 3.42Å; S176-K180 PolarHBondContact O-N 2.87Å; L177-K180 WeakPolarHBondContact O-CB 3.5Å; L177-K180 PolarHBondContact O-N 3.01Å; Y178-K180 VanDerWaalsContact C-N 3.34Å; K180-L182 VanDerWaalsContact C-N 3.31Å; K180-L182 PolarHBondContact O-N 2.97Å; K180-H183 WeakPolarHBondContact O-CA 3.46Å; K180-H183 WeakPolarHBondContact O-CB 3.49Å; K180-H183 PolarHBondContact O-N 3.26Å; K180-Y184 WeakPolarHBondContact O-CD2 3.47Å; K180-Y184 PolarHBondContact O-N 2.9Å |
| 181 | A | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -52.9 | -47.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A145 L148 A149 L177 Y178 H183 Y184 G185 W197 | A145-A181 VanDerWaalsContact CB-O 3.31Å; A145-A181 WeakPolarHBondContact CB-O 3.36Å; A145-A181 VanDerWaalsContact O-CB 3.26Å; A145-A181 WeakPolarHBondContact O-CB 3.15Å; L148-A181 HydrophobicContact CB-CB 3.79Å; A149-A181 HydrophobicContact CB-CB 4.03Å; L177-A181 WeakPolarHBondContact O-CB 3.46Å; L177-A181 PolarHBondContact O-N 3.07Å; Y178-A181 WeakPolarHBondContact O-CB 3.44Å; Y178-A181 PolarHBondContact O-N 3.41Å; A181-H183 VanDerWaalsContact C-N 3.29Å; A181-H183 PolarHBondContact O-N 2.93Å; A181-Y184 PolarHBondContact O-N 3.38Å; A181-G185 PolarHBondContact O-N 3.14Å; A181-W197 HydrophobicContact CB-CE3 4.49Å; A181-W197 HydrophobicContact CB-CZ3 4.02Å |
| 182 | L | 95.6 | Very high | 94.2 | Very high | 31 Ų | 31 | 49.5 Ų | 49.5 | 16% | 0.162 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63 | -34.2 | 176.8 | -71 | 166.6 | 0 | 0 | 0 | 112.9 | Y178 K180 G186 I189 K194 W197 Y198 M201 | Y178-L182 VanDerWaalsContact O-CG 3.29Å; Y178-L182 WeakPolarHBondContact O-CG 3.44Å; Y178-L182 PolarHBondContact O-N 3.44Å; K180-L182 VanDerWaalsContact C-N 3.31Å; K180-L182 PolarHBondContact O-N 2.97Å; L182-G186 WeakPolarHBondContact O-CA 3.48Å; L182-G186 PolarHBondContact O-N 3.38Å; L182-I189 HydrophobicContact CD2-CD1 4.24Å; L182-K194 HydrophobicContact CD2-CD 4.4Å; L182-K194 HydrophobicContact CD2-CG 3.9Å; L182-W197 HydrophobicContact CD2-CE3 3.92Å; L182-W197 HydrophobicContact CD2-CZ3 4.42Å; L182-W197 HydrophobicContact CG-CE3 4.32Å; L182-Y198 HydrophobicContact CD1-CD1 4.25Å; L182-Y198 HydrophobicContact CD1-CE1 3.71Å; L182-Y198 HydrophobicContact CD2-CD1 4.49Å; L182-Y198 HydrophobicContact CD2-CE1 3.8Å; L182-Y198 HydrophobicContact CG-CE1 4.43Å; L182-M201 HydrophobicContact CD1-CE 4.41Å; L182-M201 HydrophobicContact CD1-SD 3.81Å |
| 183 | H | 92.1 | Very high | 94.1 | Very high | 156 Ų | 156 | 46.8 Ų | 46.8 | 72% | 0.722 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -70.4 | -46.3 | 176.1 | -176.8 | 68.8 | 0 | 0 | 0 | 112 | S179 K180 A181 | S179-H183 PolarHBondContact O-N 2.96Å; S179-H183 VanDerWaalsContact O-N 3.12Å; K180-H183 WeakPolarHBondContact O-CA 3.46Å; K180-H183 WeakPolarHBondContact O-CB 3.49Å; K180-H183 PolarHBondContact O-N 3.26Å; A181-H183 VanDerWaalsContact C-N 3.29Å; A181-H183 PolarHBondContact O-N 2.93Å |
| 184 | Y | 88.3 | Confident | 93.9 | Very high | 58 Ų | 58 | 48 Ų | 48 | 23% | 0.227 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.3 | -49.7 | 178.6 | -89 | -86.9 | 0 | 0 | 0 | 112.3 | Q17 A144 L148 K180 A181 | Q17-Y184 HydrophobicContact CB-CE1 4.47Å; Q17-Y184 VanDerWaalsContact CB-OH 3.26Å; Q17-Y184 WeakPolarHBondContact CB-OH 3.45Å; Q17-Y184 WeakPolarHBondContact CG-OH 3.46Å; Q17-Y184 VanDerWaalsContact OE1-CE1 3.28Å; Q17-Y184 PolarHBondContact OE1-OH 3.4Å; A144-Y184 HydrophobicContact CB-CD1 4.37Å; L148-Y184 HydrophobicContact CD1-CD2 3.63Å; L148-Y184 HydrophobicContact CD1-CE2 4.07Å; L148-Y184 HydrophobicContact CD1-CG 4.23Å; K180-Y184 WeakPolarHBondContact O-CD2 3.47Å; K180-Y184 PolarHBondContact O-N 2.9Å; A181-Y184 PolarHBondContact O-N 3.38Å |
| 185 | G | 88.8 | Confident | 93.7 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -81.5 | -29.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A181 H187 L188 | A181-G185 PolarHBondContact O-N 3.14Å; G185-H187 PolarHBondContact O-N 3.12Å; G185-L188 WeakPolarHBondContact O-CA 3.3Å; G185-L188 VanDerWaalsContact O-CB 3.22Å; G185-L188 WeakPolarHBondContact O-CB 3.46Å; G185-L188 PolarHBondContact O-N 3.31Å |
| 186 | G | 91.8 | Very high | 93.4 | Very high | 27 Ų | 27 | 49 Ų | 49 | 28% | 0.278 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | -108.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L182 K194 | L182-G186 WeakPolarHBondContact O-CA 3.48Å; L182-G186 PolarHBondContact O-N 3.38Å; G186-K194 PolarHBondContact O-NZ 3.19Å |
| 187 | H | 91.6 | Very high | 93.3 | Very high | 159 Ų | 159 | 46.9 Ų | 46.9 | 74% | 0.736 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -11.3 | 178.8 | 69.4 | -81.4 | 0 | 0 | 0 | 113.5 | G185 I189 | G185-H187 PolarHBondContact O-N 3.12Å; H187-I189 VanDerWaalsContact C-N 3.3Å |
| 188 | L | 93.4 | Very high | 93.3 | Very high | 39 Ų | 39 | 47.8 Ų | 47.8 | 20% | 0.204 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -23.8 | 178.8 | -55.7 | 170.9 | 0 | 0 | 0 | 111.6 | E138 R141 G185 P190 | E138-L188 HydrophobicContact CB-CD1 3.99Å; E138-L188 HydrophobicContact CB-CD2 4.14Å; E138-L188 HydrophobicContact CG-CD1 4.32Å; E138-L188 HydrophobicContact CG-CD2 4.23Å; E138-L188 WeakPolarHBondContact O-CD1 3.45Å; R141-L188 HydrophobicContact CB-CD1 4.03Å; G185-L188 WeakPolarHBondContact O-CA 3.3Å; G185-L188 VanDerWaalsContact O-CB 3.22Å; G185-L188 WeakPolarHBondContact O-CB 3.46Å; G185-L188 PolarHBondContact O-N 3.31Å; L188-P190 WeakPolarHBondContact O-CD 3.47Å |
| 189 | I | 94.5 | Very high | 93.2 | Very high | 7 Ų | 7 | 48.2 Ų | 48.2 | 4% | 0.036 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -69.7 | 122.7 | 178.5 | -55.1 | 156.8 | 0 | 0 | 0 | 108.7 | L142 A145 L182 H187 T191 E193 K194 W197 | L142-I189 HydrophobicContact CD1-CG1 4.27Å; A145-I189 HydrophobicContact CB-CD1 4.49Å; A145-I189 HydrophobicContact CB-CG1 4.39Å; L182-I189 HydrophobicContact CD2-CD1 4.24Å; H187-I189 VanDerWaalsContact C-N 3.3Å; I189-T191 PolarHBondContact O-N 3.31Å; I189-E193 HydrophobicContact CG2-CB 4.12Å; I189-K194 HydrophobicContact CG2-CB 3.89Å; I189-W197 HydrophobicContact CD1-CE3 4.36Å; I189-W197 HydrophobicContact CD1-CH2 4.13Å; I189-W197 HydrophobicContact CD1-CZ3 3.51Å; I189-W197 HydrophobicContact CG1-CH2 4.13Å; I189-W197 HydrophobicContact CG1-CZ3 4.01Å; I189-W197 HydrophobicContact CG2-CE3 4.42Å; I189-W197 HydrophobicContact CG2-CH2 3.92Å; I189-W197 HydrophobicContact CG2-CZ2 4.4Å; I189-W197 HydrophobicContact CG2-CZ3 3.95Å |
| 190 | P | 93.6 | Very high | 93.1 | Very high | 56 Ų | 56 | 46.8 Ų | 46.8 | 36% | 0.364 | 24% | 0.244 | S | C | . | . | trans | -56.4 | 139.3 | 175 | -27.5 | 38.1 | 0 | 0 | 0 | 111.7 | L188 G192 E193 K194 | L188-P190 WeakPolarHBondContact O-CD 3.47Å; P190-G192 PolarHBondContact O-N 3.17Å; P190-G192 VanDerWaalsContact O-N 3.16Å; P190-E193 HydrophobicContact CB-CG 4.38Å; P190-E193 WeakPolarHBondContact CG-OE1 3.46Å; P190-E193 PolarHBondContact O-N 3.29Å; P190-K194 PolarHBondContact O-N 2.85Å | ||
| 191 | T | 91.9 | Very high | 93.2 | Very high | 101 Ų | 101 | 42 Ų | 42 | 62% | 0.62 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -54.7 | -39.6 | -175.3 | -52.4 | 0 | 0 | 0 | 0 | 112.9 | I189 K194 Q195 | I189-T191 PolarHBondContact O-N 3.31Å; T191-K194 PolarHBondContact O-N 2.78Å; T191-Q195 HydrophobicContact CG2-CG 4.5Å; T191-Q195 WeakPolarHBondContact O-CB 3.48Å; T191-Q195 VanDerWaalsContact O-CG 3.26Å; T191-Q195 WeakPolarHBondContact O-CG 3.4Å; T191-Q195 PolarHBondContact O-N 3.11Å; T191-Q195 PolarHBondContact O-OE1 3.45Å |
| 192 | G | 89.8 | Confident | 93.3 | Very high | 39 Ų | 39 | 42 Ų | 42 | 40% | 0.402 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.3 | -43 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | P190 Q195 S196 | P190-G192 PolarHBondContact O-N 3.17Å; P190-G192 VanDerWaalsContact O-N 3.16Å; G192-Q195 PolarHBondContact O-N 3.08Å; G192-S196 PolarHBondContact O-N 3.01Å; G192-S196 VanDerWaalsContact O-N 3.08Å |
| 193 | E | 92.5 | Very high | 93.3 | Very high | 28 Ų | 28 | 41.7 Ų | 41.7 | 13% | 0.131 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.3 | -45.4 | 175.4 | -70.7 | 177.8 | -132.7 | 0 | 0 | 110.6 | Y61 R146 I189 P190 Q195 S196 W197 | Y61-E193 HydrophobicContact CD2-CG 4.39Å; Y61-E193 WeakPolarHBondContact CD2-OE1 3.47Å; R146-E193 IonicContact CZ-OE1 3.31Å; R146-E193 IonicContact CZ-OE2 2.96Å; R146-E193 IonicContact NE-OE1 3.31Å; R146-E193 IonicContact NE-OE2 2.58Å; R146-E193 PolarHBondContact NE-OE2 2.92Å; R146-E193 IonicContact NH2-OE1 2.92Å; R146-E193 PolarHBondContact NH2-OE1 3.32Å; R146-E193 IonicContact NH2-OE2 3.86Å; R146-E193 PolarHBondContact NH2-OE2 2.87Å; I189-E193 HydrophobicContact CG2-CB 4.12Å; P190-E193 HydrophobicContact CB-CG 4.38Å; P190-E193 WeakPolarHBondContact CG-OE1 3.46Å; P190-E193 PolarHBondContact O-N 3.29Å; E193-Q195 VanDerWaalsContact C-N 3.31Å; E193-Q195 PolarHBondContact O-N 2.89Å; E193-S196 WeakPolarHBondContact O-CB 3.44Å; E193-S196 PolarHBondContact O-N 3.03Å; E193-S196 VanDerWaalsContact O-N 3.09Å; E193-W197 VanDerWaalsContact O-CD1 3.28Å; E193-W197 PolarHBondContact O-N 3.05Å |
| 194 | K | 93.4 | Very high | 93.5 | Very high | 55 Ų | 55 | 34.8 Ų | 34.8 | 24% | 0.239 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.4 | -41.9 | 177.9 | -172.6 | 167.3 | 179.4 | 166.8 | 0 | 112.4 | L182 G186 I189 P190 T191 W197 Y198 | L182-K194 HydrophobicContact CD2-CD 4.4Å; L182-K194 HydrophobicContact CD2-CG 3.9Å; G186-K194 PolarHBondContact O-NZ 3.19Å; I189-K194 HydrophobicContact CG2-CB 3.89Å; P190-K194 PolarHBondContact O-N 2.85Å; T191-K194 PolarHBondContact O-N 2.78Å; K194-W197 PolarHBondContact O-N 3.23Å; K194-Y198 WeakPolarHBondContact CE-OH 3.41Å; K194-Y198 HydrophobicContact CG-CD2 4.47Å; K194-Y198 HydrophobicContact CG-CE1 4.1Å; K194-Y198 HydrophobicContact CG-CE2 3.93Å; K194-Y198 WeakPolarHBondContact O-CD1 3.12Å; K194-Y198 VanDerWaalsContact O-CG 3.22Å; K194-Y198 PolarHBondContact O-N 2.8Å |
| 195 | Q | 93.1 | Very high | 93.9 | Very high | 18 Ų | 18 | 33 Ų | 33 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.8 | -35.9 | 175.7 | -73.4 | 164.9 | -22.9 | 0 | 0 | 112.6 | T191 G192 E193 W197 Y198 F199 S239 | T191-Q195 HydrophobicContact CG2-CG 4.5Å; T191-Q195 WeakPolarHBondContact O-CB 3.48Å; T191-Q195 VanDerWaalsContact O-CG 3.26Å; T191-Q195 WeakPolarHBondContact O-CG 3.4Å; T191-Q195 PolarHBondContact O-N 3.11Å; T191-Q195 PolarHBondContact O-OE1 3.45Å; G192-Q195 PolarHBondContact O-N 3.08Å; E193-Q195 VanDerWaalsContact C-N 3.31Å; E193-Q195 PolarHBondContact O-N 2.89Å; Q195-W197 VanDerWaalsContact C-N 3.34Å; Q195-Y198 PolarHBondContact O-N 2.71Å; Q195-F199 PolarHBondContact O-N 3.17Å; Q195-S239 PolarHBondContact OE1-OG 3.19Å |
| 196 | S | 92.2 | Very high | 94.1 | Very high | 9 Ų | 9 | 33.4 Ų | 33.4 | 6% | 0.063 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.5 | -42.5 | 172.7 | -173.6 | 0 | 0 | 0 | 0 | 111.3 | G192 E193 F199 K200 H244 | G192-S196 PolarHBondContact O-N 3.01Å; G192-S196 VanDerWaalsContact O-N 3.08Å; E193-S196 WeakPolarHBondContact O-CB 3.44Å; E193-S196 PolarHBondContact O-N 3.03Å; E193-S196 VanDerWaalsContact O-N 3.09Å; S196-F199 WeakPolarHBondContact O-CB 3.37Å; S196-F199 PolarHBondContact O-N 3.2Å; S196-K200 PolarHBondContact O-N 3.45Å; S196-H244 PolarHBondContact OG-NE2 3.47Å; S196-H244 VanDerWaalsContact OG-NE2 3.14Å |
| 197 | W | 95.3 | Very high | 94.1 | Very high | 13 Ų | 13 | 37 Ų | 37 | 5% | 0.049 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.8 | -42.6 | 175.2 | -58.2 | -6.2 | 0 | 0 | 0 | 111.6 | A145 R146 A149 Y178 A181 L182 I189 E193 K194 Q195 F199 K200 M201 | A145-W197 HydrophobicContact CB-CH2 4.19Å; R146-W197 HydrophobicContact CG-CZ2 4.23Å; A149-W197 HydrophobicContact CB-CD2 3.87Å; A149-W197 HydrophobicContact CB-CE3 4.17Å; A149-W197 HydrophobicContact CB-CH2 3.86Å; A149-W197 HydrophobicContact CB-CZ2 3.54Å; A149-W197 HydrophobicContact CB-CZ3 4.14Å; Y178-W197 HydrophobicContact CD1-CB 4.18Å; Y178-W197 HydrophobicContact CD1-CG 4.36Å; Y178-W197 HydrophobicContact CE1-CB 4.21Å; Y178-W197 HydrophobicContact CE1-CG 4.2Å; A181-W197 HydrophobicContact CB-CE3 4.49Å; A181-W197 HydrophobicContact CB-CZ3 4.02Å; L182-W197 HydrophobicContact CD2-CE3 3.92Å; L182-W197 HydrophobicContact CD2-CZ3 4.42Å; L182-W197 HydrophobicContact CG-CE3 4.32Å; I189-W197 HydrophobicContact CD1-CE3 4.36Å; I189-W197 HydrophobicContact CD1-CH2 4.13Å; I189-W197 HydrophobicContact CD1-CZ3 3.51Å; I189-W197 HydrophobicContact CG1-CH2 4.13Å; I189-W197 HydrophobicContact CG1-CZ3 4.01Å; I189-W197 HydrophobicContact CG2-CE3 4.42Å; I189-W197 HydrophobicContact CG2-CH2 3.92Å; I189-W197 HydrophobicContact CG2-CZ2 4.4Å; I189-W197 HydrophobicContact CG2-CZ3 3.95Å; E193-W197 VanDerWaalsContact O-CD1 3.28Å; E193-W197 PolarHBondContact O-N 3.05Å; K194-W197 PolarHBondContact O-N 3.23Å; Q195-W197 VanDerWaalsContact C-N 3.34Å; W197-F199 VanDerWaalsContact C-N 3.27Å; W197-F199 PolarHBondContact O-N 3.11Å; W197-K200 PolarHBondContact O-N 3.42Å; W197-M201 WeakPolarHBondContact O-CB 3.07Å; W197-M201 VanDerWaalsContact O-CG 3.28Å; W197-M201 WeakPolarHBondContact O-CG 3.48Å; W197-M201 PolarHBondContact O-N 3.44Å |
| 198 | Y | 96.4 | Very high | 94.2 | Very high | 41 Ų | 41 | 29.5 Ų | 29.5 | 16% | 0.161 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58 | -40.3 | 173.8 | -68.7 | -16.4 | 0 | 0 | 0 | 112.5 | L182 K194 Q195 M201 A202 L232 E235 | L182-Y198 HydrophobicContact CD1-CD1 4.25Å; L182-Y198 HydrophobicContact CD1-CE1 3.71Å; L182-Y198 HydrophobicContact CD2-CD1 4.49Å; L182-Y198 HydrophobicContact CD2-CE1 3.8Å; L182-Y198 HydrophobicContact CG-CE1 4.43Å; K194-Y198 WeakPolarHBondContact CE-OH 3.41Å; K194-Y198 HydrophobicContact CG-CD2 4.47Å; K194-Y198 HydrophobicContact CG-CE1 4.1Å; K194-Y198 HydrophobicContact CG-CE2 3.93Å; K194-Y198 WeakPolarHBondContact O-CD1 3.12Å; K194-Y198 VanDerWaalsContact O-CG 3.22Å; K194-Y198 PolarHBondContact O-N 2.8Å; Q195-Y198 PolarHBondContact O-N 2.71Å; Y198-M201 HydrophobicContact CD1-SD 4.49Å; Y198-A202 VanDerWaalsContact O-CB 3.24Å; Y198-A202 WeakPolarHBondContact O-CB 3.44Å; Y198-A202 PolarHBondContact O-N 3.46Å; Y198-L232 HydrophobicContact CD1-CD2 3.61Å; Y198-L232 HydrophobicContact CD2-CD2 4.49Å; Y198-L232 HydrophobicContact CE1-CD2 4.03Å; Y198-L232 HydrophobicContact CG-CD2 3.85Å; Y198-E235 HydrophobicContact CD2-CB 3.72Å; Y198-E235 HydrophobicContact CD2-CG 4.42Å; Y198-E235 HydrophobicContact CE2-CB 4Å; Y198-E235 HydrophobicContact CE2-CG 4.31Å |
| 199 | F | 95.3 | Very high | 94 | Very high | 12 Ų | 12 | 27.7 Ų | 27.7 | 5% | 0.053 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.9 | -49.2 | 175 | 179.6 | -107.2 | 0 | 0 | 0 | 111.9 | Q195 S196 W197 M201 A202 A203 L233 T236 L247 Y251 | Q195-F199 PolarHBondContact O-N 3.17Å; S196-F199 WeakPolarHBondContact O-CB 3.37Å; S196-F199 PolarHBondContact O-N 3.2Å; W197-F199 VanDerWaalsContact C-N 3.27Å; W197-F199 PolarHBondContact O-N 3.11Å; F199-M201 PolarHBondContact O-N 3.46Å; F199-A202 WeakPolarHBondContact O-CB 3.47Å; F199-A202 PolarHBondContact O-N 2.82Å; F199-A203 PolarHBondContact O-N 3.33Å; F199-L233 HydrophobicContact CD2-CD2 4.32Å; F199-T236 HydrophobicContact CB-CG2 3.77Å; F199-T236 HydrophobicContact CD2-CG2 4.1Å; F199-T236 HydrophobicContact CG-CG2 4.3Å; F199-T236 PolarHBondContact N-OG1 3.35Å; F199-L247 HydrophobicContact CE1-CB 4.41Å; F199-L247 HydrophobicContact CE1-CD1 4.01Å; F199-L247 HydrophobicContact CE2-CB 3.64Å; F199-L247 HydrophobicContact CZ-CB 3.51Å; F199-L247 HydrophobicContact CZ-CD1 3.85Å; F199-L247 HydrophobicContact CZ-CG 4.3Å; F199-Y251 AromaticContact CE2-CD2 3.77Å; F199-Y251 HydrophobicContact CE2-CD2 3.77Å; F199-Y251 HydrophobicContact CE2-CE2 4.03Å; F199-Y251 AromaticContact CZ-CD2 3.99Å; F199-Y251 HydrophobicContact CZ-CD2 3.99Å; F199-Y251 AromaticContact CZ-CE2 3.77Å; F199-Y251 HydrophobicContact CZ-CE2 3.77Å |
| 200 | K | 94.9 | Very high | 93.6 | Very high | 26 Ų | 26 | 31.2 Ų | 31.2 | 11% | 0.113 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.9 | -42.8 | 178.6 | -63.9 | -64 | -175.2 | 176.1 | 0 | 111.5 | E54 E58 L62 Y153 Y178 S196 W197 A202 A203 I204 | E54-K200 IonicContact OE1-NZ 2.76Å; E54-K200 PolarHBondContact OE1-NZ 3.48Å; E58-K200 IonicContact OE1-NZ 3.71Å; E58-K200 PolarHBondContact OE1-NZ 3.28Å; L62-K200 HydrophobicContact CD2-CD 4.45Å; L62-K200 HydrophobicContact CD2-CG 4.47Å; Y153-K200 HydrophobicContact CE2-CD 4.41Å; Y178-K200 HydrophobicContact CE2-CB 4.43Å; S196-K200 PolarHBondContact O-N 3.45Å; W197-K200 PolarHBondContact O-N 3.42Å; K200-A202 PolarHBondContact O-N 2.87Å; K200-A203 PolarHBondContact O-N 2.93Å; K200-I204 WeakPolarHBondContact O-CG1 3.46Å; K200-I204 PolarHBondContact O-N 3.34Å; K200-I204 VanDerWaalsContact O-N 3.09Å |
| 201 | M | 97.8 | Very high | 93.3 | Very high | 6 Ų | 6 | 29.2 Ų | 29.2 | 3% | 0.03 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.3 | -43 | 172.6 | -70 | 179.3 | 83.8 | 0 | 0 | 112.2 | L175 Y178 L182 W197 Y198 F199 I204 Y205 L232 | L175-M201 HydrophobicContact CD2-CB 3.99Å; L175-M201 HydrophobicContact CD2-CE 4.07Å; L175-M201 HydrophobicContact CD2-CG 4.15Å; Y178-M201 HydrophobicContact CD1-CG 4.44Å; Y178-M201 HydrophobicContact CD2-CG 3.67Å; Y178-M201 HydrophobicContact CE2-CG 4.43Å; Y178-M201 HydrophobicContact CG-CG 3.68Å; Y178-M201 HydrophobicContact CG-SD 4.21Å; L182-M201 HydrophobicContact CD1-CE 4.41Å; L182-M201 HydrophobicContact CD1-SD 3.81Å; W197-M201 WeakPolarHBondContact O-CB 3.07Å; W197-M201 VanDerWaalsContact O-CG 3.28Å; W197-M201 WeakPolarHBondContact O-CG 3.48Å; W197-M201 PolarHBondContact O-N 3.44Å; Y198-M201 HydrophobicContact CD1-SD 4.49Å; F199-M201 PolarHBondContact O-N 3.46Å; M201-I204 WeakPolarHBondContact O-CB 3.45Å; M201-I204 PolarHBondContact O-N 3.06Å; M201-Y205 WeakPolarHBondContact O-CD2 3.21Å; M201-Y205 PolarHBondContact O-N 3.06Å; M201-L232 HydrophobicContact CB-CD1 3.73Å |
| 202 | A | 97.2 | Very high | 93 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.2 | -42.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y198 F199 K200 I204 Y205 V206 L232 L233 | Y198-A202 VanDerWaalsContact O-CB 3.24Å; Y198-A202 WeakPolarHBondContact O-CB 3.44Å; Y198-A202 PolarHBondContact O-N 3.46Å; F199-A202 WeakPolarHBondContact O-CB 3.47Å; F199-A202 PolarHBondContact O-N 2.82Å; K200-A202 PolarHBondContact O-N 2.87Å; A202-I204 VanDerWaalsContact C-N 3.27Å; A202-I204 PolarHBondContact O-N 3.15Å; A202-Y205 PolarHBondContact O-N 3.25Å; A202-V206 WeakPolarHBondContact O-CG2 3.49Å; A202-V206 PolarHBondContact O-N 3.39Å; A202-L232 HydrophobicContact CB-CB 3.92Å; A202-L233 HydrophobicContact CB-CD2 3.62Å; A202-L233 HydrophobicContact CB-CG 3.74Å |
| 203 | A | 95.3 | Very high | 92.5 | Very high | 24 Ų | 24 | 27.1 Ų | 27.1 | 20% | 0.198 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.5 | -39.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F199 K200 V206 R207 Y251 | F199-A203 PolarHBondContact O-N 3.33Å; K200-A203 PolarHBondContact O-N 2.93Å; A203-V206 PolarHBondContact O-N 3.41Å; A203-R207 WeakPolarHBondContact O-CB 3.43Å; A203-R207 PolarHBondContact O-N 3.05Å; A203-Y251 HydrophobicContact CB-CE1 4.29Å |
| 204 | I | 96.6 | Very high | 91.3 | Very high | 11 Ų | 11 | 30.4 Ų | 30.4 | 6% | 0.056 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.2 | -47.3 | 173.6 | -66 | 164.7 | 0 | 0 | 0 | 111.2 | P156 L171 A174 L175 Y178 K200 M201 A202 V206 R207 L208 | P156-I204 HydrophobicContact CG-CD1 3.97Å; P156-I204 HydrophobicContact CG-CG1 4.17Å; L171-I204 HydrophobicContact CB-CG2 3.82Å; L171-I204 HydrophobicContact CD2-CG1 4.22Å; L171-I204 HydrophobicContact CD2-CG2 3.96Å; L171-I204 HydrophobicContact CG-CG2 4.31Å; A174-I204 HydrophobicContact CB-CD1 3.85Å; L175-I204 HydrophobicContact CD1-CG2 3.88Å; L175-I204 HydrophobicContact CD2-CB 4.15Å; L175-I204 HydrophobicContact CD2-CD1 4.47Å; L175-I204 HydrophobicContact CD2-CG2 3.99Å; L175-I204 HydrophobicContact CG-CB 4.41Å; L175-I204 HydrophobicContact CG-CG2 3.71Å; Y178-I204 HydrophobicContact CD2-CD1 4.45Å; Y178-I204 HydrophobicContact CE2-CD1 4.18Å; K200-I204 WeakPolarHBondContact O-CG1 3.46Å; K200-I204 PolarHBondContact O-N 3.34Å; K200-I204 VanDerWaalsContact O-N 3.09Å; M201-I204 WeakPolarHBondContact O-CB 3.45Å; M201-I204 PolarHBondContact O-N 3.06Å; A202-I204 VanDerWaalsContact C-N 3.27Å; A202-I204 PolarHBondContact O-N 3.15Å; I204-V206 VanDerWaalsContact C-N 3.34Å; I204-V206 PolarHBondContact O-N 2.53Å; I204-R207 WeakPolarHBondContact O-CB 3.25Å; I204-R207 PolarHBondContact O-N 3.33Å; I204-R207 VanDerWaalsContact O-N 3.15Å; I204-L208 HydrophobicContact CG2-CD1 3.98Å; I204-L208 HydrophobicContact CG2-CG 4.37Å; I204-L208 WeakPolarHBondContact O-CG 3.42Å; I204-L208 PolarHBondContact O-N 3.3Å |
| 205 | Y | 96.8 | Very high | 90.3 | Very high | 21 Ų | 21 | 32.1 Ų | 32.1 | 8% | 0.082 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.2 | -41.4 | 177.3 | -81.6 | -63.9 | 0 | 0 | 0 | 113 | L175 M201 A202 R207 L208 D209 F224 H225 K228 L232 | L175-Y205 HydrophobicContact CD1-CD1 3.95Å; L175-Y205 HydrophobicContact CD1-CD2 4.48Å; L175-Y205 HydrophobicContact CD1-CE1 3.55Å; L175-Y205 HydrophobicContact CD1-CE2 4.11Å; L175-Y205 HydrophobicContact CD1-CG 4.4Å; L175-Y205 HydrophobicContact CD2-CD2 3.94Å; L175-Y205 HydrophobicContact CD2-CE2 3.54Å; L175-Y205 HydrophobicContact CG-CE2 4.46Å; M201-Y205 WeakPolarHBondContact O-CD2 3.21Å; M201-Y205 PolarHBondContact O-N 3.06Å; A202-Y205 PolarHBondContact O-N 3.25Å; Y205-R207 VanDerWaalsContact C-N 3.29Å; Y205-R207 PolarHBondContact O-N 3.28Å; Y205-L208 PolarHBondContact O-N 3.02Å; Y205-D209 PolarHBondContact O-N 2.97Å; Y205-F224 HydrophobicContact CE1-CE1 4.26Å; Y205-H225 HydrophobicContact CD1-CB 3.94Å; Y205-H225 AromaticContact CD1-ND1 3.43Å; Y205-H225 WeakPolarHBondContact CD1-ND1 3.4Å; Y205-H225 AromaticContact CE1-ND1 3.63Å; Y205-K228 HydrophobicContact CD1-CB 3.97Å; Y205-K228 HydrophobicContact CD2-CB 4.06Å; Y205-K228 HydrophobicContact CE1-CB 3.79Å; Y205-K228 HydrophobicContact CE1-CG 4.24Å; Y205-K228 HydrophobicContact CE2-CB 3.9Å; Y205-K228 HydrophobicContact CG-CB 4.1Å; Y205-L232 HydrophobicContact CD2-CD1 3.8Å; Y205-L232 HydrophobicContact CE2-CD1 3.71Å |
| 206 | V | 93.2 | Very high | 88.6 | Confident | 9 Ų | 9 | 39.3 Ų | 39.3 | 6% | 0.055 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.8 | -37.4 | 176.2 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | A202 A203 I204 Q210 Y251 M255 | A202-V206 WeakPolarHBondContact O-CG2 3.49Å; A202-V206 PolarHBondContact O-N 3.39Å; A203-V206 PolarHBondContact O-N 3.41Å; I204-V206 VanDerWaalsContact C-N 3.34Å; I204-V206 PolarHBondContact O-N 2.53Å; V206-Q210 PolarHBondContact O-N 2.83Å; V206-Y251 HydrophobicContact CB-CD1 4.33Å; V206-Y251 HydrophobicContact CB-CE1 4.45Å; V206-Y251 HydrophobicContact CG1-CD1 4.15Å; V206-Y251 HydrophobicContact CG1-CE1 4.26Å; V206-Y251 HydrophobicContact CG2-CD1 4.07Å; V206-M255 HydrophobicContact CG2-CE 4.38Å; V206-M255 HydrophobicContact CG2-CG 4Å; V206-M255 HydrophobicContact CG2-SD 3.69Å |
| 207 | R | 91.9 | Very high | 87 | Confident | 104 Ų | 104 | 46.9 Ų | 46.9 | 39% | 0.392 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -68.9 | -41.8 | 175.6 | -169.4 | 172.4 | -176.4 | -179 | -0.1 | 111.7 | L171 A203 I204 Y205 Q210 I211 | L171-R207 HydrophobicContact CD1-CB 4.35Å; L171-R207 HydrophobicContact CD1-CG 4.02Å; A203-R207 WeakPolarHBondContact O-CB 3.43Å; A203-R207 PolarHBondContact O-N 3.05Å; I204-R207 WeakPolarHBondContact O-CB 3.25Å; I204-R207 PolarHBondContact O-N 3.33Å; I204-R207 VanDerWaalsContact O-N 3.15Å; Y205-R207 VanDerWaalsContact C-N 3.29Å; Y205-R207 PolarHBondContact O-N 3.28Å; R207-Q210 WeakPolarHBondContact O-CB 3.19Å; R207-Q210 PolarHBondContact O-N 3.26Å; R207-I211 HydrophobicContact CG-CD1 4.16Å; R207-I211 WeakPolarHBondContact O-CG1 3.25Å; R207-I211 PolarHBondContact O-N 3.2Å |
| 208 | L | 92.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62 | -44 | 175.5 | -75.5 | 169.8 | 0 | 0 | 0 | 112.3 | T168 L171 M172 L175 I204 Y205 Q210 I211 I212 | T168-L208 HydrophobicContact CG2-CD2 3.87Å; L171-L208 HydrophobicContact CB-CD1 4.37Å; L171-L208 HydrophobicContact CB-CD2 3.87Å; L171-L208 HydrophobicContact CB-CG 4.14Å; L171-L208 HydrophobicContact CD1-CD2 3.91Å; L171-L208 HydrophobicContact CD1-CG 4.07Å; M172-L208 HydrophobicContact SD-CD1 3.79Å; L175-L208 HydrophobicContact CD1-CD1 3.59Å; I204-L208 HydrophobicContact CG2-CD1 3.98Å; I204-L208 HydrophobicContact CG2-CG 4.37Å; I204-L208 WeakPolarHBondContact O-CG 3.42Å; I204-L208 PolarHBondContact O-N 3.3Å; Y205-L208 PolarHBondContact O-N 3.02Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 3.44Å; L208-I211 PolarHBondContact O-N 2.6Å; L208-I212 WeakPolarHBondContact O-CB 3.49Å; L208-I212 WeakPolarHBondContact O-CD1 3.47Å; L208-I212 VanDerWaalsContact O-CG1 3.25Å; L208-I212 WeakPolarHBondContact O-CG1 3.39Å; L208-I212 PolarHBondContact O-N 2.64Å |
| 209 | D | 89.9 | Confident | 85.3 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.011 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55 | -44.4 | 172.9 | 166.2 | 58.5 | 0 | 0 | 0 | 111.6 | Y205 I212 K213 R222 H225 R258 | Y205-D209 PolarHBondContact O-N 2.97Å; D209-I212 PolarHBondContact O-N 2.61Å; D209-K213 PolarHBondContact O-N 3.08Å; D209-R222 IonicContact OD1-CZ 2.93Å; D209-R222 IonicContact OD1-NE 3.81Å; D209-R222 PolarHBondContact OD1-NE 3.31Å; D209-R222 IonicContact OD1-NH2 3.56Å; D209-R222 PolarHBondContact OD1-NH2 3.03Å; D209-R222 IonicContact OD2-NH2 3.96Å; D209-H225 HydrophobicContact CB-CB 4.49Å; D209-R258 IonicContact OD2-NH1 3.95Å; D209-R258 PolarHBondContact OD2-NH1 2.9Å |
| 210 | Q | 86.9 | Confident | 84.8 | Confident | 80 Ų | 80 | 55 Ų | 55 | 37% | 0.374 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 179.2 | -174.3 | 63.9 | 31.5 | 0 | 0 | 112.9 | V206 R207 L208 K213 R258 | V206-Q210 PolarHBondContact O-N 2.83Å; R207-Q210 WeakPolarHBondContact O-CB 3.19Å; R207-Q210 PolarHBondContact O-N 3.26Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 3.44Å; Q210-K213 WeakPolarHBondContact O-CB 3.42Å; Q210-R258 VanDerWaalsContact OE1-CZ 3.22Å |
| 211 | I | 87 | Confident | 84.4 | Confident | 14 Ų | 14 | 56.5 Ų | 56.5 | 7% | 0.072 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.4 | -43.4 | 178.8 | -66.6 | 163.4 | 0 | 0 | 0 | 110.4 | N164 L167 L171 R207 L208 K213 T214 | N164-I211 HydrophobicContact CB-CG2 3.75Å; L167-I211 HydrophobicContact CD2-CD1 3.57Å; L167-I211 HydrophobicContact CD2-CG1 4.45Å; L167-I211 HydrophobicContact CG-CD1 3.86Å; L171-I211 HydrophobicContact CD1-CD1 3.86Å; R207-I211 HydrophobicContact CG-CD1 4.16Å; R207-I211 WeakPolarHBondContact O-CG1 3.25Å; R207-I211 PolarHBondContact O-N 3.2Å; L208-I211 PolarHBondContact O-N 2.6Å; I211-K213 VanDerWaalsContact C-N 3.31Å; I211-K213 PolarHBondContact O-N 2.94Å; I211-T214 PolarHBondContact O-N 3.4Å; I211-T214 PolarHBondContact O-OG1 3.33Å |
| 212 | I | 85.1 | Confident | 84 | Confident | 14 Ų | 14 | 57.2 Ų | 57.2 | 7% | 0.072 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69.6 | -31.4 | -176.3 | -68.7 | 167.6 | 0 | 0 | 0 | 111.3 | L208 D209 T214 K215 S218 R222 H225 | L208-I212 WeakPolarHBondContact O-CB 3.49Å; L208-I212 WeakPolarHBondContact O-CD1 3.47Å; L208-I212 VanDerWaalsContact O-CG1 3.25Å; L208-I212 WeakPolarHBondContact O-CG1 3.39Å; L208-I212 PolarHBondContact O-N 2.64Å; D209-I212 PolarHBondContact O-N 2.61Å; I212-T214 PolarHBondContact O-N 2.9Å; I212-K215 WeakPolarHBondContact O-CB 3.5Å; I212-K215 PolarHBondContact O-N 2.79Å; I212-S218 WeakPolarHBondContact CG2-OG 3.39Å; I212-S218 PolarHBondContact O-OG 3.47Å; I212-S218 VanDerWaalsContact O-OG 3.11Å; I212-R222 HydrophobicContact CB-CG 4.1Å; I212-R222 HydrophobicContact CG2-CG 3.58Å; I212-H225 WeakPolarHBondContact CD1-CD2 3.25Å; I212-H225 WeakPolarHBondContact CD1-NE2 3.36Å |
| 213 | K | 80.4 | Confident | 83.8 | Confident | 82 Ų | 82 | 59.4 Ų | 59.4 | 36% | 0.357 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -30.3 | 174.2 | -177.3 | 177.6 | 177.7 | 174.9 | 0 | 114 | D209 Q210 I211 K215 E261 | D209-K213 PolarHBondContact O-N 3.08Å; Q210-K213 WeakPolarHBondContact O-CB 3.42Å; I211-K213 VanDerWaalsContact C-N 3.31Å; I211-K213 PolarHBondContact O-N 2.94Å; K213-K215 PolarHBondContact O-N 2.95Å; K213-E261 VanDerWaalsContact CE-OE2 3.26Å; K213-E261 WeakPolarHBondContact CE-OE2 3.5Å; K213-E261 IonicContact NZ-OE1 3.86Å; K213-E261 PolarHBondContact NZ-OE1 2.94Å; K213-E261 IonicContact NZ-OE2 3.23Å; K213-E261 PolarHBondContact NZ-OE2 3.23Å |
| 214 | T | 67.3 | Low | 83.7 | Confident | 97 Ų | 97 | 63.1 Ų | 63.1 | 60% | 0.595 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | 1.5 | -179.5 | 62.6 | 0 | 0 | 0 | 0 | 114.1 | I211 I212 | I211-T214 PolarHBondContact O-N 3.4Å; I211-T214 PolarHBondContact O-OG1 3.33Å; I212-T214 PolarHBondContact O-N 2.9Å |
| 215 | K | 70.8 | Confident | 83.5 | Confident | 91 Ų | 91 | 63.1 Ų | 63.1 | 40% | 0.396 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -106.2 | 132.2 | 179.9 | -60 | -175.9 | 176 | -175.5 | 0 | 110.6 | D165 I212 K213 D217 S218 | D165-K215 IonicContact OD1-NZ 2.76Å; D165-K215 PolarHBondContact OD1-NZ 3.22Å; I212-K215 WeakPolarHBondContact O-CB 3.5Å; I212-K215 PolarHBondContact O-N 2.79Å; K213-K215 PolarHBondContact O-N 2.95Å; K215-D217 VanDerWaalsContact C-N 3.27Å; K215-D217 PolarHBondContact O-N 3.47Å; K215-S218 PolarHBondContact O-OG 2.96Å |
| 216 | D | 58.4 | Low | 83.4 | Confident | 170 Ų | 170 | 62.1 Ų | 62.1 | 91% | 0.909 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -61.5 | -12.9 | -164.2 | -87.9 | -20.3 | 0 | 0 | 0 | 116.9 | ||
| 217 | D | 58.6 | Low | 83.5 | Confident | 168 Ų | 168 | 63.1 Ų | 63.1 | 90% | 0.898 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -150.5 | 88.5 | 176.4 | -96.6 | -36.2 | 0 | 0 | 0 | 111.8 | K215 | K215-D217 VanDerWaalsContact C-N 3.27Å; K215-D217 PolarHBondContact O-N 3.47Å |
| 218 | S | 71.9 | Confident | 83.7 | Confident | 23 Ų | 23 | 62 Ų | 62 | 16% | 0.161 | 32% | 0.317 | C | S | . | . | trans | -145.4 | 9.3 | -168.9 | 67 | 0 | 0 | 0 | 0 | 116.9 | I212 K215 N220 S221 R222 | I212-S218 WeakPolarHBondContact CG2-OG 3.39Å; I212-S218 PolarHBondContact O-OG 3.47Å; I212-S218 VanDerWaalsContact O-OG 3.11Å; K215-S218 PolarHBondContact O-OG 2.96Å; S218-N220 VanDerWaalsContact C-N 3.32Å; S218-N220 PolarHBondContact O-N 3.41Å; S218-N220 VanDerWaalsContact O-N 3.17Å; S218-S221 PolarHBondContact O-N 3.26Å; S218-R222 PolarHBondContact O-N 3.39Å | ||
| 219 | E | 83.1 | Confident | 83.8 | Confident | 75 Ų | 75 | 62 Ų | 62 | 35% | 0.35 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -54.5 | -42.9 | -170.7 | -168.9 | 176.6 | 179.6 | 0 | 0 | 113.4 | S221 R222 L223 F262 S263 | E219-S221 PolarHBondContact O-N 2.81Å; E219-R222 PolarHBondContact O-N 3.41Å; E219-L223 VanDerWaalsContact O-CB 3.32Å; E219-L223 WeakPolarHBondContact O-CB 3.31Å; E219-L223 PolarHBondContact O-N 2.96Å; E219-F262 HydrophobicContact CG-CD1 4.01Å; E219-S263 VanDerWaalsContact CD-OG 3.32Å; E219-S263 VanDerWaalsContact OE1-CB 3.23Å; E219-S263 WeakPolarHBondContact OE1-CB 3.25Å; E219-S263 PolarHBondContact OE1-N 2.97Å; E219-S263 PolarHBondContact OE1-OG 2.95Å; E219-S263 PolarHBondContact OE2-OG 3.3Å |
| 220 | N | 85.4 | Confident | 84.2 | Confident | 139 Ų | 139 | 61.9 Ų | 61.9 | 74% | 0.743 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.8 | -39.9 | 178.2 | -71.8 | -29.8 | 0 | 0 | 0 | 113 | S218 L223 F224 | S218-N220 VanDerWaalsContact C-N 3.32Å; S218-N220 PolarHBondContact O-N 3.41Å; S218-N220 VanDerWaalsContact O-N 3.17Å; N220-L223 PolarHBondContact O-N 3.31Å; N220-F224 PolarHBondContact O-N 3.41Å; N220-F224 VanDerWaalsContact O-N 3.08Å |
| 221 | S | 86.6 | Confident | 84.6 | Confident | 57 Ų | 57 | 63.8 Ų | 63.8 | 40% | 0.399 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.9 | -42.5 | 177.5 | -163.4 | 0 | 0 | 0 | 0 | 110.5 | S218 E219 L223 F224 H225 | S218-S221 PolarHBondContact O-N 3.26Å; E219-S221 PolarHBondContact O-N 2.81Å; S221-L223 VanDerWaalsContact C-N 3.34Å; S221-L223 PolarHBondContact O-N 3.45Å; S221-F224 WeakPolarHBondContact O-CB 3.13Å; S221-F224 PolarHBondContact O-N 2.93Å; S221-H225 PolarHBondContact O-CD2 2.86Å; S221-H225 PolarHBondContact O-N 2.9Å |
| 222 | R | 90.4 | Very high | 85.1 | Confident | 21 Ų | 21 | 64.3 Ų | 64.3 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.9 | -46 | 173.3 | -68.7 | -175 | 65.5 | -157.7 | -2.5 | 111.6 | D209 I212 S218 E219 F224 H225 Y226 E261 F262 | D209-R222 IonicContact OD1-CZ 2.93Å; D209-R222 IonicContact OD1-NE 3.81Å; D209-R222 PolarHBondContact OD1-NE 3.31Å; D209-R222 IonicContact OD1-NH2 3.56Å; D209-R222 PolarHBondContact OD1-NH2 3.03Å; D209-R222 IonicContact OD2-NH2 3.96Å; I212-R222 HydrophobicContact CB-CG 4.1Å; I212-R222 HydrophobicContact CG2-CG 3.58Å; S218-R222 PolarHBondContact O-N 3.39Å; E219-R222 PolarHBondContact O-N 3.41Å; R222-F224 VanDerWaalsContact C-N 3.28Å; R222-F224 PolarHBondContact O-N 2.98Å; R222-H225 PolarHBondContact O-N 2.99Å; R222-Y226 VanDerWaalsContact O-CB 3.24Å; R222-Y226 WeakPolarHBondContact O-CB 3.4Å; R222-Y226 PolarHBondContact O-N 3.39Å; R222-E261 IonicContact CZ-OE2 3.11Å; R222-E261 IonicContact NH1-OE2 3.89Å; R222-E261 IonicContact NH2-OE2 2.88Å; R222-E261 PolarHBondContact NH2-OE2 3.08Å; R222-F262 HydrophobicContact CB-CE1 3.79Å; R222-F262 HydrophobicContact CB-CZ 4.18Å |
| 223 | L | 91.9 | Very high | 85.7 | Confident | 45 Ų | 45 | 63.6 Ų | 63.6 | 24% | 0.236 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.8 | -40.5 | 178.7 | -164.3 | 93.8 | 0 | 0 | 0 | 111.4 | E219 N220 S221 N227 F262 P266 | E219-L223 VanDerWaalsContact O-CB 3.32Å; E219-L223 WeakPolarHBondContact O-CB 3.31Å; E219-L223 PolarHBondContact O-N 2.96Å; N220-L223 PolarHBondContact O-N 3.31Å; S221-L223 VanDerWaalsContact C-N 3.34Å; S221-L223 PolarHBondContact O-N 3.45Å; L223-N227 VanDerWaalsContact O-CB 3.26Å; L223-N227 WeakPolarHBondContact O-CB 3.25Å; L223-N227 PolarHBondContact O-N 3Å; L223-N227 PolarHBondContact O-ND2 3.49Å; L223-N227 VanDerWaalsContact O-ND2 3.09Å; L223-F262 HydrophobicContact CB-CE1 4.38Å; L223-F262 HydrophobicContact CD1-CD1 4.02Å; L223-F262 HydrophobicContact CD1-CE1 4.3Å; L223-P266 HydrophobicContact CD1-CB 3.99Å; L223-P266 HydrophobicContact CD1-CG 4Å |
| 224 | F | 92.4 | Very high | 86.4 | Confident | 102 Ų | 102 | 63.3 Ų | 63.3 | 45% | 0.447 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.6 | -53.3 | 175.4 | 172.5 | -96 | 0 | 0 | 0 | 111.9 | Y205 N220 S221 R222 N227 K228 | Y205-F224 HydrophobicContact CE1-CE1 4.26Å; N220-F224 PolarHBondContact O-N 3.41Å; N220-F224 VanDerWaalsContact O-N 3.08Å; S221-F224 WeakPolarHBondContact O-CB 3.13Å; S221-F224 PolarHBondContact O-N 2.93Å; R222-F224 VanDerWaalsContact C-N 3.28Å; R222-F224 PolarHBondContact O-N 2.98Å; F224-N227 PolarHBondContact O-N 3.16Å; F224-K228 HydrophobicContact CE1-CG 4.39Å; F224-K228 HydrophobicContact CE2-CG 4.22Å; F224-K228 HydrophobicContact CZ-CG 4.12Å; F224-K228 WeakPolarHBondContact O-CG 3.41Å; F224-K228 PolarHBondContact O-N 2.93Å |
| 225 | H | 93.8 | Very high | 87.8 | Confident | 11 Ų | 11 | 62.6 Ų | 62.6 | 5% | 0.051 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.6 | -41.7 | -179.3 | -62.9 | -64.7 | 0 | 0 | 0 | 111.8 | Y205 D209 I212 S221 R222 N227 K228 G229 | Y205-H225 HydrophobicContact CD1-CB 3.94Å; Y205-H225 AromaticContact CD1-ND1 3.43Å; Y205-H225 WeakPolarHBondContact CD1-ND1 3.4Å; Y205-H225 AromaticContact CE1-ND1 3.63Å; D209-H225 HydrophobicContact CB-CB 4.49Å; I212-H225 WeakPolarHBondContact CD1-CD2 3.25Å; I212-H225 WeakPolarHBondContact CD1-NE2 3.36Å; S221-H225 PolarHBondContact O-CD2 2.86Å; S221-H225 PolarHBondContact O-N 2.9Å; R222-H225 PolarHBondContact O-N 2.99Å; H225-N227 PolarHBondContact O-N 2.99Å; H225-K228 PolarHBondContact O-N 3.24Å; H225-G229 PolarHBondContact O-N 2.91Å |
| 226 | Y | 94.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.3 | -50.7 | 175 | -173.3 | -79.2 | 0 | 0 | 0 | 111.3 | R222 K228 G229 L230 M255 R258 F262 P266 I269 | R222-Y226 VanDerWaalsContact O-CB 3.24Å; R222-Y226 WeakPolarHBondContact O-CB 3.4Å; R222-Y226 PolarHBondContact O-N 3.39Å; Y226-K228 VanDerWaalsContact C-N 3.33Å; Y226-K228 PolarHBondContact O-N 3.01Å; Y226-G229 PolarHBondContact O-N 2.9Å; Y226-L230 HydrophobicContact CE1-CD2 4.13Å; Y226-L230 PolarHBondContact O-N 3.39Å; Y226-M255 HydrophobicContact CD1-CE 4.05Å; Y226-M255 HydrophobicContact CD2-CE 3.65Å; Y226-M255 HydrophobicContact CE1-CE 4.23Å; Y226-M255 HydrophobicContact CE2-CB 3.93Å; Y226-M255 HydrophobicContact CE2-CE 3.88Å; Y226-M255 VanDerWaalsContact CE2-O 3.28Å; Y226-M255 WeakPolarHBondContact CE2-O 3.43Å; Y226-M255 HydrophobicContact CG-CE 3.74Å; Y226-M255 WeakPolarHBondContact O-CE 3.34Å; Y226-M255 VanDerWaalsContact OH-C 3.27Å; Y226-M255 PolarHBondContact OH-O 2.9Å; Y226-R258 HydrophobicContact CE2-CB 4.44Å; Y226-F262 AromaticContact CD2-CE2 3.65Å; Y226-F262 HydrophobicContact CD2-CE2 3.65Å; Y226-F262 AromaticContact CD2-CZ 3.89Å; Y226-F262 HydrophobicContact CD2-CZ 3.89Å; Y226-F262 AromaticContact CE2-CE2 3.97Å; Y226-F262 HydrophobicContact CE2-CE2 3.97Å; Y226-F262 HydrophobicContact CG-CE2 4.07Å; Y226-F262 HydrophobicContact CG-CZ 4.04Å; Y226-P266 HydrophobicContact CD1-CB 3.67Å; Y226-P266 HydrophobicContact CD1-CG 3.89Å; Y226-P266 HydrophobicContact CE1-CB 3.69Å; Y226-P266 HydrophobicContact CE1-CG 3.81Å; Y226-I269 HydrophobicContact CE1-CD1 4.22Å; Y226-I269 HydrophobicContact CE1-CG1 4.06Å |
| 227 | N | 94.8 | Very high | 90.7 | Very high | 30 Ų | 30 | 51 Ų | 51 | 16% | 0.16 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.8 | -38.2 | -179 | -72.4 | -28.8 | 0 | 0 | 0 | 112.7 | L223 F224 H225 R231 S268 | L223-N227 VanDerWaalsContact O-CB 3.26Å; L223-N227 WeakPolarHBondContact O-CB 3.25Å; L223-N227 PolarHBondContact O-N 3Å; L223-N227 PolarHBondContact O-ND2 3.49Å; L223-N227 VanDerWaalsContact O-ND2 3.09Å; F224-N227 PolarHBondContact O-N 3.16Å; H225-N227 PolarHBondContact O-N 2.99Å; N227-R231 WeakPolarHBondContact O-CB 3.48Å; N227-R231 PolarHBondContact O-N 3.23Å; N227-S268 WeakPolarHBondContact CA-OG 3.34Å; N227-S268 WeakPolarHBondContact OD1-CB 3.45Å; N227-S268 PolarHBondContact OD1-N 2.91Å; N227-S268 PolarHBondContact OD1-OG 3.17Å |
| 228 | K | 95.6 | Very high | 92.3 | Very high | 81 Ų | 81 | 48.9 Ų | 48.9 | 35% | 0.352 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.7 | -46.1 | 176.4 | -73.9 | -70.1 | -172.5 | 170.8 | 0 | 111.9 | Y205 F224 H225 Y226 R231 L232 | Y205-K228 HydrophobicContact CD1-CB 3.97Å; Y205-K228 HydrophobicContact CD2-CB 4.06Å; Y205-K228 HydrophobicContact CE1-CB 3.79Å; Y205-K228 HydrophobicContact CE1-CG 4.24Å; Y205-K228 HydrophobicContact CE2-CB 3.9Å; Y205-K228 HydrophobicContact CG-CB 4.1Å; F224-K228 HydrophobicContact CE1-CG 4.39Å; F224-K228 HydrophobicContact CE2-CG 4.22Å; F224-K228 HydrophobicContact CZ-CG 4.12Å; F224-K228 WeakPolarHBondContact O-CG 3.41Å; F224-K228 PolarHBondContact O-N 2.93Å; H225-K228 PolarHBondContact O-N 3.24Å; Y226-K228 VanDerWaalsContact C-N 3.33Å; Y226-K228 PolarHBondContact O-N 3.01Å; K228-R231 PolarHBondContact O-N 3.43Å; K228-L232 WeakPolarHBondContact O-CG 3.46Å; K228-L232 PolarHBondContact O-N 3.04Å; K228-L232 VanDerWaalsContact O-N 3.1Å |
| 229 | G | 96.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.6 | -50.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | H225 Y226 R231 L232 L233 | H225-G229 PolarHBondContact O-N 2.91Å; Y226-G229 PolarHBondContact O-N 2.9Å; G229-R231 VanDerWaalsContact C-N 3.33Å; G229-R231 PolarHBondContact O-N 3.04Å; G229-L232 PolarHBondContact O-N 2.86Å; G229-L233 WeakPolarHBondContact O-CG 3.34Å; G229-L233 PolarHBondContact O-N 3.27Å |
| 230 | L | 96.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64 | -37.9 | -177.5 | -170.7 | 59.5 | 0 | 0 | 0 | 112.6 | Y226 L233 K234 V252 M255 I269 F274 | Y226-L230 HydrophobicContact CE1-CD2 4.13Å; Y226-L230 PolarHBondContact O-N 3.39Å; L230-L233 PolarHBondContact O-N 3.13Å; L230-K234 PolarHBondContact O-N 3.5Å; L230-V252 HydrophobicContact CD1-CG1 4.34Å; L230-V252 HydrophobicContact CD1-CG2 4.16Å; L230-M255 HydrophobicContact CB-CE 3.9Å; L230-M255 HydrophobicContact CB-SD 4.11Å; L230-M255 HydrophobicContact CD1-SD 4.26Å; L230-I269 HydrophobicContact CD2-CG1 3.89Å; L230-F274 HydrophobicContact CD1-CD2 3.95Å; L230-F274 HydrophobicContact CD1-CE2 3.87Å; L230-F274 HydrophobicContact CD2-CD2 4.21Å; L230-F274 HydrophobicContact CG-CD2 4.22Å; L230-F274 HydrophobicContact CG-CE2 4.28Å |
| 231 | R | 96.8 | Very high | 93.4 | Very high | 119 Ų | 119 | 49.3 Ų | 49.3 | 45% | 0.449 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.5 | -45.3 | 175.8 | -170.9 | -179.7 | -61.5 | 169.9 | 0.5 | 111.7 | N227 K228 G229 K234 E235 | N227-R231 WeakPolarHBondContact O-CB 3.48Å; N227-R231 PolarHBondContact O-N 3.23Å; K228-R231 PolarHBondContact O-N 3.43Å; G229-R231 VanDerWaalsContact C-N 3.33Å; G229-R231 PolarHBondContact O-N 3.04Å; R231-K234 WeakPolarHBondContact O-CB 3.19Å; R231-K234 PolarHBondContact O-N 3.49Å; R231-E235 WeakPolarHBondContact O-CG 3.44Å; R231-E235 PolarHBondContact O-N 3.17Å |
| 232 | L | 97.2 | Very high | 93.7 | Very high | 25 Ų | 25 | 51.7 Ų | 51.7 | 13% | 0.131 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67 | -36.3 | 178.3 | -69.3 | 173.6 | 0 | 0 | 0 | 112.3 | Y198 M201 A202 Y205 K228 G229 K234 E235 T236 | Y198-L232 HydrophobicContact CD1-CD2 3.61Å; Y198-L232 HydrophobicContact CD2-CD2 4.49Å; Y198-L232 HydrophobicContact CE1-CD2 4.03Å; Y198-L232 HydrophobicContact CG-CD2 3.85Å; M201-L232 HydrophobicContact CB-CD1 3.73Å; A202-L232 HydrophobicContact CB-CB 3.92Å; Y205-L232 HydrophobicContact CD2-CD1 3.8Å; Y205-L232 HydrophobicContact CE2-CD1 3.71Å; K228-L232 WeakPolarHBondContact O-CG 3.46Å; K228-L232 PolarHBondContact O-N 3.04Å; K228-L232 VanDerWaalsContact O-N 3.1Å; G229-L232 PolarHBondContact O-N 2.86Å; L232-K234 VanDerWaalsContact C-N 3.33Å; L232-E235 PolarHBondContact O-N 3.43Å; L232-T236 PolarHBondContact O-N 3.33Å; L232-T236 PolarHBondContact O-OG1 2.74Å |
| 233 | L | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.6 | -41.5 | 171.8 | -68.5 | 173 | 0 | 0 | 0 | 111.4 | F199 A202 G229 L230 E235 T236 L237 A248 Y251 V252 M255 | F199-L233 HydrophobicContact CD2-CD2 4.32Å; A202-L233 HydrophobicContact CB-CD2 3.62Å; A202-L233 HydrophobicContact CB-CG 3.74Å; G229-L233 WeakPolarHBondContact O-CG 3.34Å; G229-L233 PolarHBondContact O-N 3.27Å; L230-L233 PolarHBondContact O-N 3.13Å; L233-E235 VanDerWaalsContact C-N 3.32Å; L233-E235 PolarHBondContact O-N 2.84Å; L233-T236 WeakPolarHBondContact O-CA 3.38Å; L233-T236 WeakPolarHBondContact O-CB 3.35Å; L233-T236 PolarHBondContact O-N 3.43Å; L233-L237 WeakPolarHBondContact O-CG 3.29Å; L233-L237 PolarHBondContact O-N 2.68Å; L233-A248 HydrophobicContact CD2-CB 4.28Å; L233-Y251 HydrophobicContact CD2-CG 4.47Å; L233-V252 HydrophobicContact CB-CG2 3.85Å; L233-V252 HydrophobicContact CD1-CG2 3.98Å; L233-M255 HydrophobicContact CD1-CG 4.42Å; L233-M255 HydrophobicContact CD1-SD 3.48Å; L233-M255 WeakPolarHBondContact CD1-SD 3.35Å |
| 234 | K | 96.3 | Very high | 93.6 | Very high | 76 Ų | 76 | 50.6 Ų | 50.6 | 33% | 0.33 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.6 | -43.6 | 177.5 | 177.6 | 58.1 | -179.4 | 167.2 | 0 | 111.9 | L230 R231 L232 T236 L237 C272 F274 | L230-K234 PolarHBondContact O-N 3.5Å; R231-K234 WeakPolarHBondContact O-CB 3.19Å; R231-K234 PolarHBondContact O-N 3.49Å; L232-K234 VanDerWaalsContact C-N 3.33Å; K234-T236 VanDerWaalsContact C-N 3.34Å; K234-L237 WeakPolarHBondContact O-CB 3.36Å; K234-L237 PolarHBondContact O-N 3.22Å; K234-C272 HydrophobicContact CB-CB 4.22Å; K234-C272 HydrophobicContact CG-CB 4.16Å; K234-F274 HydrophobicContact CB-CE2 4.44Å; K234-F274 HydrophobicContact CD-CE2 4.29Å; K234-F274 HydrophobicContact CD-CZ 4.01Å |
| 235 | E | 95.3 | Very high | 93.7 | Very high | 82 Ų | 82 | 48.6 Ų | 48.6 | 38% | 0.383 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.3 | -38.6 | 173.3 | -61.3 | -69.5 | 150.7 | 0 | 0 | 111.8 | Y198 R231 L232 L233 L237 E238 | Y198-E235 HydrophobicContact CD2-CB 3.72Å; Y198-E235 HydrophobicContact CD2-CG 4.42Å; Y198-E235 HydrophobicContact CE2-CB 4Å; Y198-E235 HydrophobicContact CE2-CG 4.31Å; R231-E235 WeakPolarHBondContact O-CG 3.44Å; R231-E235 PolarHBondContact O-N 3.17Å; L232-E235 PolarHBondContact O-N 3.43Å; L233-E235 VanDerWaalsContact C-N 3.32Å; L233-E235 PolarHBondContact O-N 2.84Å; E235-L237 VanDerWaalsContact C-N 3.29Å; E235-L237 PolarHBondContact O-N 2.91Å; E235-E238 WeakPolarHBondContact O-CB 3.34Å; E235-E238 PolarHBondContact O-N 3.16Å |
| 236 | T | 94.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.9 | -32.4 | 178.3 | -54.2 | 0 | 0 | 0 | 0 | 112.1 | F199 L232 L233 K234 E238 S239 H244 A248 | F199-T236 HydrophobicContact CB-CG2 3.77Å; F199-T236 HydrophobicContact CD2-CG2 4.1Å; F199-T236 HydrophobicContact CG-CG2 4.3Å; F199-T236 PolarHBondContact N-OG1 3.35Å; L232-T236 PolarHBondContact O-N 3.33Å; L232-T236 PolarHBondContact O-OG1 2.74Å; L233-T236 WeakPolarHBondContact O-CA 3.38Å; L233-T236 WeakPolarHBondContact O-CB 3.35Å; L233-T236 PolarHBondContact O-N 3.43Å; K234-T236 VanDerWaalsContact C-N 3.34Å; T236-E238 PolarHBondContact O-N 2.96Å; T236-E238 VanDerWaalsContact O-N 3.13Å; T236-S239 WeakPolarHBondContact O-CB 3.48Å; T236-S239 PolarHBondContact O-N 3.13Å; T236-H244 HydrophobicContact CG2-CB 4.14Å; T236-A248 HydrophobicContact CG2-CB 3.81Å |
| 237 | L | 95.2 | Very high | 93.8 | Very high | 18 Ų | 18 | 48.6 Ų | 48.6 | 9% | 0.094 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -18 | 177.5 | -71.2 | 175.4 | 0 | 0 | 0 | 113.5 | L233 K234 E235 S239 K245 A248 W249 V252 F274 | L233-L237 WeakPolarHBondContact O-CG 3.29Å; L233-L237 PolarHBondContact O-N 2.68Å; K234-L237 WeakPolarHBondContact O-CB 3.36Å; K234-L237 PolarHBondContact O-N 3.22Å; E235-L237 VanDerWaalsContact C-N 3.29Å; E235-L237 PolarHBondContact O-N 2.91Å; L237-S239 PolarHBondContact O-N 2.95Å; L237-K245 WeakPolarHBondContact O-CE 3.31Å; L237-A248 HydrophobicContact CD2-CB 3.72Å; L237-A248 HydrophobicContact CG-CB 4.19Å; L237-W249 HydrophobicContact CD1-CD2 4.31Å; L237-W249 HydrophobicContact CD1-CE3 4.34Å; L237-W249 HydrophobicContact CD1-CH2 4.08Å; L237-W249 HydrophobicContact CD1-CZ2 4.03Å; L237-W249 HydrophobicContact CD1-CZ3 4.23Å; L237-W249 HydrophobicContact CD2-CB 4.4Å; L237-W249 HydrophobicContact CD2-CD2 3.64Å; L237-W249 HydrophobicContact CD2-CE3 4.37Å; L237-W249 HydrophobicContact CD2-CG 3.62Å; L237-W249 HydrophobicContact CD2-CZ2 4.26Å; L237-V252 HydrophobicContact CD1-CG2 4.36Å; L237-F274 HydrophobicContact CD1-CE1 4.34Å; L237-F274 HydrophobicContact CD1-CZ 3.84Å |
| 238 | E | 92.6 | Very high | 93.8 | Very high | 123 Ų | 123 | 47.1 Ų | 47.1 | 58% | 0.575 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -4 | 175.3 | -55.9 | -172 | 166.8 | 0 | 0 | 112.4 | E235 T236 | E235-E238 WeakPolarHBondContact O-CB 3.34Å; E235-E238 PolarHBondContact O-N 3.16Å; T236-E238 PolarHBondContact O-N 2.96Å; T236-E238 VanDerWaalsContact O-N 3.13Å |
| 239 | S | 89.8 | Confident | 93.9 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | trans | -66.7 | 138.8 | -175.4 | -173.7 | 0 | 0 | 0 | 0 | 114.7 | Q195 T236 L237 T241 K245 | Q195-S239 PolarHBondContact OE1-OG 3.19Å; T236-S239 WeakPolarHBondContact O-CB 3.48Å; T236-S239 PolarHBondContact O-N 3.13Å; L237-S239 PolarHBondContact O-N 2.95Å; S239-T241 VanDerWaalsContact C-N 3.26Å; S239-T241 PolarHBondContact O-N 3.1Å; S239-T241 PolarHBondContact OG-N 3.36Å; S239-T241 PolarHBondContact OG-OG1 2.91Å; S239-K245 WeakPolarHBondContact O-CD 3.27Å; S239-K245 WeakPolarHBondContact O-CE 3.35Å; S239-K245 VanDerWaalsContact O-CG 3.29Å; S239-K245 WeakPolarHBondContact O-CG 3.41Å; S239-K245 PolarHBondContact O-NZ 2.86Å | ||
| 240 | E | 86.6 | Confident | 93.9 | Very high | 184 Ų | 184 | 46.1 Ų | 46.1 | 86% | 0.86 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -70.1 | -24.9 | 177.3 | -63.1 | -173 | 169.6 | 0 | 0 | 112.7 | K242 | E240-K242 PolarHBondContact O-N 3.23Š|
| 241 | T | 88.4 | Confident | 93.9 | Very high | 61 Ų | 61 | 48.3 Ų | 48.3 | 37% | 0.374 | 22% | 0.219 | S | C | . | . | trans | -71.7 | 119.4 | 177.3 | 35.6 | 0 | 0 | 0 | 0 | 112.6 | S239 Q243 H244 K245 | S239-T241 VanDerWaalsContact C-N 3.26Å; S239-T241 PolarHBondContact O-N 3.1Å; S239-T241 PolarHBondContact OG-N 3.36Å; S239-T241 PolarHBondContact OG-OG1 2.91Å; T241-Q243 VanDerWaalsContact C-N 3.27Å; T241-Q243 PolarHBondContact O-N 2.76Å; T241-H244 PolarHBondContact O-N 2.73Å; T241-H244 PolarHBondContact OG1-ND1 3.14Å; T241-K245 PolarHBondContact O-N 3.23Å; T241-K245 VanDerWaalsContact O-N 3.17Å | ||
| 242 | K | 91.1 | Very high | 93.9 | Very high | 106 Ų | 106 | 42.6 Ų | 42.6 | 46% | 0.461 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -52.6 | -43.5 | 176.8 | -70.8 | -172.7 | 178.3 | -174.6 | 0 | 112.4 | E240 K245 A246 D292 I296 | E240-K242 PolarHBondContact O-N 3.23Å; K242-K245 PolarHBondContact O-N 2.96Å; K242-A246 WeakPolarHBondContact O-CB 3.42Å; K242-A246 PolarHBondContact O-N 2.99Å; K242-D292 IonicContact NZ-OD1 2.73Å; K242-D292 IonicContact NZ-OD2 3.16Å; K242-D292 PolarHBondContact NZ-OD2 3.48Å; K242-I296 HydrophobicContact CB-CD1 3.99Å |
| 243 | Q | 90.7 | Very high | 93.9 | Very high | 27 Ų | 27 | 41.4 Ų | 41.4 | 13% | 0.126 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.7 | -56.5 | 179.3 | 178.4 | 176.4 | -23.9 | 0 | 0 | 112 | T241 K245 A246 L247 I296 L299 | T241-Q243 VanDerWaalsContact C-N 3.27Å; T241-Q243 PolarHBondContact O-N 2.76Å; Q243-K245 VanDerWaalsContact C-N 3.3Å; Q243-K245 PolarHBondContact O-N 3.45Å; Q243-A246 PolarHBondContact O-N 3.38Å; Q243-L247 HydrophobicContact CG-CD1 3.96Å; Q243-L247 HydrophobicContact CG-CG 4.5Å; Q243-L247 WeakPolarHBondContact O-CB 3.47Å; Q243-L247 VanDerWaalsContact O-CG 3.26Å; Q243-L247 WeakPolarHBondContact O-CG 3.5Å; Q243-L247 PolarHBondContact O-N 3.09Å; Q243-I296 HydrophobicContact CB-CD1 4.16Å; Q243-I296 HydrophobicContact CB-CG1 4.14Å; Q243-I296 HydrophobicContact CG-CG1 4.49Å; Q243-L299 HydrophobicContact CG-CD1 4.09Å |
| 244 | H | 90.2 | Very high | 93.7 | Very high | 16 Ų | 16 | 41.6 Ų | 41.6 | 7% | 0.074 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.5 | -40.1 | 179.1 | -68.5 | 109.5 | 0 | 0 | 0 | 112.2 | S196 T236 T241 A248 | S196-H244 PolarHBondContact OG-NE2 3.47Å; S196-H244 VanDerWaalsContact OG-NE2 3.14Å; T236-H244 HydrophobicContact CG2-CB 4.14Å; T241-H244 PolarHBondContact O-N 2.73Å; T241-H244 PolarHBondContact OG1-ND1 3.14Å; H244-A248 WeakPolarHBondContact O-CB 3.39Å; H244-A248 PolarHBondContact O-N 2.87Å |
| 245 | K | 94.1 | Very high | 93.6 | Very high | 61 Ų | 61 | 38.1 Ų | 38.1 | 27% | 0.265 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61.7 | -49.6 | 175.3 | -85.2 | 178 | 161.4 | 143.8 | 0 | 112.9 | L237 S239 T241 K242 Q243 A248 W249 L289 | L237-K245 WeakPolarHBondContact O-CE 3.31Å; S239-K245 WeakPolarHBondContact O-CD 3.27Å; S239-K245 WeakPolarHBondContact O-CE 3.35Å; S239-K245 VanDerWaalsContact O-CG 3.29Å; S239-K245 WeakPolarHBondContact O-CG 3.41Å; S239-K245 PolarHBondContact O-NZ 2.86Å; T241-K245 PolarHBondContact O-N 3.23Å; T241-K245 VanDerWaalsContact O-N 3.17Å; K242-K245 PolarHBondContact O-N 2.96Å; Q243-K245 VanDerWaalsContact C-N 3.3Å; Q243-K245 PolarHBondContact O-N 3.45Å; K245-A248 PolarHBondContact O-N 3.22Å; K245-W249 VanDerWaalsContact O-CD1 3.26Å; K245-W249 PolarHBondContact O-N 2.94Å; K245-L289 HydrophobicContact CB-CD1 4.14Å |
| 246 | A | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.7 | -45.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | K242 Q243 W249 C250 A286 L289 I296 | K242-A246 WeakPolarHBondContact O-CB 3.42Å; K242-A246 PolarHBondContact O-N 2.99Å; Q243-A246 PolarHBondContact O-N 3.38Å; A246-W249 PolarHBondContact O-N 3.3Å; A246-C250 PolarHBondContact O-N 3.27Å; A246-A286 VanDerWaalsContact O-CB 3.29Å; A246-A286 WeakPolarHBondContact O-CB 3.41Å; A246-L289 HydrophobicContact CB-CB 4.13Å; A246-I296 HydrophobicContact CB-CG2 3.59Å |
| 247 | L | 94.6 | Very high | 93.4 | Very high | 10 Ų | 10 | 37.6 Ų | 37.6 | 5% | 0.052 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.2 | -43.7 | 176.2 | -61.5 | 177.5 | 0 | 0 | 0 | 111.3 | F199 Q243 W249 C250 Y251 L299 L300 I303 | F199-L247 HydrophobicContact CE1-CB 4.41Å; F199-L247 HydrophobicContact CE1-CD1 4.01Å; F199-L247 HydrophobicContact CE2-CB 3.64Å; F199-L247 HydrophobicContact CZ-CB 3.51Å; F199-L247 HydrophobicContact CZ-CD1 3.85Å; F199-L247 HydrophobicContact CZ-CG 4.3Å; Q243-L247 HydrophobicContact CG-CD1 3.96Å; Q243-L247 HydrophobicContact CG-CG 4.5Å; Q243-L247 WeakPolarHBondContact O-CB 3.47Å; Q243-L247 VanDerWaalsContact O-CG 3.26Å; Q243-L247 WeakPolarHBondContact O-CG 3.5Å; Q243-L247 PolarHBondContact O-N 3.09Å; L247-W249 VanDerWaalsContact C-N 3.35Å; L247-W249 PolarHBondContact O-N 3.47Å; L247-C250 WeakPolarHBondContact O-CB 3.4Å; L247-C250 PolarHBondContact O-N 2.97Å; L247-C250 VanDerWaalsContact O-N 3.14Å; L247-Y251 WeakPolarHBondContact O-CD2 3.33Å; L247-Y251 PolarHBondContact O-N 3.34Å; L247-L299 HydrophobicContact CD1-CD1 4.11Å; L247-L299 HydrophobicContact CD2-CB 3.88Å; L247-L299 HydrophobicContact CD2-CD1 4.39Å; L247-L300 HydrophobicContact CD2-CD2 4Å; L247-L300 HydrophobicContact CD2-CG 4.41Å; L247-I303 HydrophobicContact CD2-CD1 3.7Å |
| 248 | A | 96.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.4 | -42.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | L233 T236 L237 H244 K245 C250 Y251 V252 | L233-A248 HydrophobicContact CD2-CB 4.28Å; T236-A248 HydrophobicContact CG2-CB 3.81Å; L237-A248 HydrophobicContact CD2-CB 3.72Å; L237-A248 HydrophobicContact CG-CB 4.19Å; H244-A248 WeakPolarHBondContact O-CB 3.39Å; H244-A248 PolarHBondContact O-N 2.87Å; K245-A248 PolarHBondContact O-N 3.22Å; A248-C250 VanDerWaalsContact C-N 3.33Å; A248-C250 PolarHBondContact O-N 3.11Å; A248-Y251 PolarHBondContact O-N 3.39Å; A248-V252 WeakPolarHBondContact O-CG2 3.29Å; A248-V252 PolarHBondContact O-N 3.32Å |
| 249 | W | 97.4 | Very high | 93 | Very high | 58 Ų | 58 | 34.4 Ų | 34.4 | 22% | 0.22 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.6 | -41.2 | 173.2 | -84.7 | 121 | 0 | 0 | 0 | 112.7 | L237 K245 A246 L247 V252 G253 F274 C282 T285 A286 | L237-W249 HydrophobicContact CD1-CD2 4.31Å; L237-W249 HydrophobicContact CD1-CE3 4.34Å; L237-W249 HydrophobicContact CD1-CH2 4.08Å; L237-W249 HydrophobicContact CD1-CZ2 4.03Å; L237-W249 HydrophobicContact CD1-CZ3 4.23Å; L237-W249 HydrophobicContact CD2-CB 4.4Å; L237-W249 HydrophobicContact CD2-CD2 3.64Å; L237-W249 HydrophobicContact CD2-CE3 4.37Å; L237-W249 HydrophobicContact CD2-CG 3.62Å; L237-W249 HydrophobicContact CD2-CZ2 4.26Å; K245-W249 VanDerWaalsContact O-CD1 3.26Å; K245-W249 PolarHBondContact O-N 2.94Å; A246-W249 PolarHBondContact O-N 3.3Å; L247-W249 VanDerWaalsContact C-N 3.35Å; L247-W249 PolarHBondContact O-N 3.47Å; W249-V252 HydrophobicContact CE3-CB 4.48Å; W249-V252 HydrophobicContact CE3-CG1 4.48Å; W249-V252 HydrophobicContact CZ3-CG1 4.48Å; W249-V252 PolarHBondContact O-N 3.24Å; W249-G253 PolarHBondContact O-N 3.25Å; W249-F274 HydrophobicContact CH2-CE1 4.06Å; W249-F274 AromaticContact CZ3-CE1 3.83Å; W249-F274 HydrophobicContact CZ3-CE1 3.83Å; W249-C282 HydrophobicContact CE3-CB 4.19Å; W249-T285 HydrophobicContact CD2-CG2 4.15Å; W249-T285 HydrophobicContact CG-CG2 4.13Å; W249-T285 HydrophobicContact CZ2-CG2 4.49Å; W249-A286 HydrophobicContact CB-CB 3.88Å |
| 250 | C | 96.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.014 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.5 | -47.3 | 174.1 | -174.4 | 0 | 0 | 0 | 0 | 111.3 | A246 L247 A248 G253 I254 A286 L300 | A246-C250 PolarHBondContact O-N 3.27Å; L247-C250 WeakPolarHBondContact O-CB 3.4Å; L247-C250 PolarHBondContact O-N 2.97Å; L247-C250 VanDerWaalsContact O-N 3.14Å; A248-C250 VanDerWaalsContact C-N 3.33Å; A248-C250 PolarHBondContact O-N 3.11Å; C250-G253 PolarHBondContact O-N 2.93Å; C250-I254 WeakPolarHBondContact O-CG1 3.21Å; C250-I254 PolarHBondContact O-N 3.37Å; C250-A286 HydrophobicContact CB-CB 4.39Å; C250-L300 HydrophobicContact CB-CD2 3.51Å |
| 251 | Y | 96.4 | Very high | 92.9 | Very high | 45 Ų | 45 | 35.2 Ų | 35.2 | 18% | 0.176 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.4 | -37.3 | 177.2 | -86 | -87.8 | 0 | 0 | 0 | 113.2 | F199 A203 V206 L233 L247 A248 G253 I254 M255 I303 | F199-Y251 AromaticContact CE2-CD2 3.77Å; F199-Y251 HydrophobicContact CE2-CD2 3.77Å; F199-Y251 HydrophobicContact CE2-CE2 4.03Å; F199-Y251 AromaticContact CZ-CD2 3.99Å; F199-Y251 HydrophobicContact CZ-CD2 3.99Å; F199-Y251 AromaticContact CZ-CE2 3.77Å; F199-Y251 HydrophobicContact CZ-CE2 3.77Å; A203-Y251 HydrophobicContact CB-CE1 4.29Å; V206-Y251 HydrophobicContact CB-CD1 4.33Å; V206-Y251 HydrophobicContact CB-CE1 4.45Å; V206-Y251 HydrophobicContact CG1-CD1 4.15Å; V206-Y251 HydrophobicContact CG1-CE1 4.26Å; V206-Y251 HydrophobicContact CG2-CD1 4.07Å; L233-Y251 HydrophobicContact CD2-CG 4.47Å; L247-Y251 WeakPolarHBondContact O-CD2 3.33Å; L247-Y251 PolarHBondContact O-N 3.34Å; A248-Y251 PolarHBondContact O-N 3.39Å; Y251-G253 VanDerWaalsContact C-N 3.33Å; Y251-G253 PolarHBondContact O-N 3.24Å; Y251-I254 HydrophobicContact CD1-CD1 4.31Å; Y251-I254 WeakPolarHBondContact O-CB 3.3Å; Y251-I254 PolarHBondContact O-N 3.35Å; Y251-M255 WeakPolarHBondContact O-CG 3.33Å; Y251-M255 PolarHBondContact O-N 3.2Å; Y251-I303 HydrophobicContact CE2-CD1 3.82Å |
| 252 | V | 97.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.6 | -44.6 | 172.5 | 171 | 0 | 0 | 0 | 0 | 110.2 | L230 L233 L237 A248 W249 I254 M255 L256 F274 | L230-V252 HydrophobicContact CD1-CG1 4.34Å; L230-V252 HydrophobicContact CD1-CG2 4.16Å; L233-V252 HydrophobicContact CB-CG2 3.85Å; L233-V252 HydrophobicContact CD1-CG2 3.98Å; L237-V252 HydrophobicContact CD1-CG2 4.36Å; A248-V252 WeakPolarHBondContact O-CG2 3.29Å; A248-V252 PolarHBondContact O-N 3.32Å; W249-V252 HydrophobicContact CE3-CB 4.48Å; W249-V252 HydrophobicContact CE3-CG1 4.48Å; W249-V252 HydrophobicContact CZ3-CG1 4.48Å; W249-V252 PolarHBondContact O-N 3.24Å; V252-I254 VanDerWaalsContact C-N 3.33Å; V252-I254 PolarHBondContact O-N 3.3Å; V252-M255 PolarHBondContact O-N 3.27Å; V252-L256 HydrophobicContact CG1-CD1 3.98Å; V252-L256 HydrophobicContact CG1-CG 4.18Å; V252-L256 WeakPolarHBondContact O-CB 3.28Å; V252-L256 WeakPolarHBondContact O-CG 3.46Å; V252-L256 PolarHBondContact O-N 2.68Å; V252-F274 HydrophobicContact CG1-CD1 4.16Å; V252-F274 HydrophobicContact CG1-CD2 4.42Å; V252-F274 HydrophobicContact CG1-CE1 3.94Å; V252-F274 HydrophobicContact CG1-CE2 4.21Å; V252-F274 HydrophobicContact CG1-CG 4.4Å; V252-F274 HydrophobicContact CG1-CZ 3.97Å; V252-F274 HydrophobicContact CG2-CE2 4.48Å; V252-F274 HydrophobicContact CG2-CZ 4.21Å |
| 253 | G | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -55.9 | -46.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | W249 C250 Y251 M255 L256 E257 | W249-G253 PolarHBondContact O-N 3.25Å; C250-G253 PolarHBondContact O-N 2.93Å; Y251-G253 VanDerWaalsContact C-N 3.33Å; Y251-G253 PolarHBondContact O-N 3.24Å; G253-M255 PolarHBondContact O-N 3.49Å; G253-L256 PolarHBondContact O-N 3.41Å; G253-E257 PolarHBondContact O-N 2.87Å; G253-E257 VanDerWaalsContact O-N 3.11Å |
| 254 | I | 93.5 | Very high | 92.6 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.4 | -45.8 | 176.6 | -62.9 | 165.8 | 0 | 0 | 0 | 111.2 | C250 Y251 V252 E257 R258 Y283 I303 L307 | C250-I254 WeakPolarHBondContact O-CG1 3.21Å; C250-I254 PolarHBondContact O-N 3.37Å; Y251-I254 HydrophobicContact CD1-CD1 4.31Å; Y251-I254 WeakPolarHBondContact O-CB 3.3Å; Y251-I254 PolarHBondContact O-N 3.35Å; V252-I254 VanDerWaalsContact C-N 3.33Å; V252-I254 PolarHBondContact O-N 3.3Å; I254-E257 PolarHBondContact O-N 3.01Å; I254-R258 WeakPolarHBondContact O-CG 3.43Å; I254-R258 PolarHBondContact O-N 2.97Å; I254-Y283 WeakPolarHBondContact CA-OH 3.39Å; I254-Y283 HydrophobicContact CG1-CE1 4.25Å; I254-Y283 PolarHBondContact N-OH 3.32Å; I254-I303 HydrophobicContact CD1-CG2 3.88Å; I254-L307 HydrophobicContact CD1-CD1 3.54Å; I254-L307 HydrophobicContact CD1-CD2 4.35Å; I254-L307 HydrophobicContact CD1-CG 4.41Å; I254-L307 HydrophobicContact CG1-CD1 3.56Å; I254-L307 HydrophobicContact CG2-CD2 4.3Å |
| 255 | M | 94.1 | Very high | 92.5 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.015 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67 | -38.2 | 179.7 | -67.2 | -171.2 | 78.4 | 0 | 0 | 111.7 | V206 Y226 L230 L233 Y251 V252 G253 E257 R258 K259 | V206-M255 HydrophobicContact CG2-CE 4.38Å; V206-M255 HydrophobicContact CG2-CG 4Å; V206-M255 HydrophobicContact CG2-SD 3.69Å; Y226-M255 HydrophobicContact CD1-CE 4.05Å; Y226-M255 HydrophobicContact CD2-CE 3.65Å; Y226-M255 HydrophobicContact CE1-CE 4.23Å; Y226-M255 HydrophobicContact CE2-CB 3.93Å; Y226-M255 HydrophobicContact CE2-CE 3.88Å; Y226-M255 VanDerWaalsContact CE2-O 3.28Å; Y226-M255 WeakPolarHBondContact CE2-O 3.43Å; Y226-M255 HydrophobicContact CG-CE 3.74Å; Y226-M255 WeakPolarHBondContact O-CE 3.34Å; Y226-M255 VanDerWaalsContact OH-C 3.27Å; Y226-M255 PolarHBondContact OH-O 2.9Å; L230-M255 HydrophobicContact CB-CE 3.9Å; L230-M255 HydrophobicContact CB-SD 4.11Å; L230-M255 HydrophobicContact CD1-SD 4.26Å; L233-M255 HydrophobicContact CD1-CG 4.42Å; L233-M255 HydrophobicContact CD1-SD 3.48Å; L233-M255 WeakPolarHBondContact CD1-SD 3.35Å; Y251-M255 WeakPolarHBondContact O-CG 3.33Å; Y251-M255 PolarHBondContact O-N 3.2Å; V252-M255 PolarHBondContact O-N 3.27Å; G253-M255 PolarHBondContact O-N 3.49Å; M255-E257 PolarHBondContact O-N 2.89Å; M255-R258 PolarHBondContact O-N 3.25Å; M255-R258 VanDerWaalsContact O-N 3.15Å; M255-K259 PolarHBondContact O-N 3.09Å |
| 256 | L | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.1 | -33.2 | 179.3 | -73.2 | -178 | 0 | 0 | 0 | 113.1 | V252 G253 R258 K259 I269 F274 T277 P279 | V252-L256 HydrophobicContact CG1-CD1 3.98Å; V252-L256 HydrophobicContact CG1-CG 4.18Å; V252-L256 WeakPolarHBondContact O-CB 3.28Å; V252-L256 WeakPolarHBondContact O-CG 3.46Å; V252-L256 PolarHBondContact O-N 2.68Å; G253-L256 PolarHBondContact O-N 3.41Å; L256-R258 PolarHBondContact O-N 2.58Å; L256-K259 WeakPolarHBondContact O-CB 3.44Å; L256-K259 VanDerWaalsContact O-CD 3.31Å; L256-K259 WeakPolarHBondContact O-CD 3.49Å; L256-K259 WeakPolarHBondContact O-CG 3.46Å; L256-K259 PolarHBondContact O-N 3.38Å; L256-I269 HydrophobicContact CD2-CG1 4.44Å; L256-I269 HydrophobicContact CD2-CG2 4.3Å; L256-F274 HydrophobicContact CD1-CB 4.39Å; L256-F274 HydrophobicContact CD2-CB 3.99Å; L256-T277 HydrophobicContact CD1-CG2 3.98Å; L256-P279 HydrophobicContact CB-CB 4.31Å; L256-P279 HydrophobicContact CB-CG 3.88Å |
| 257 | E | 92.2 | Very high | 92.1 | Very high | 70 Ų | 70 | 41.3 Ų | 41.3 | 33% | 0.327 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.4 | -31.9 | 172.2 | -70.1 | 176.5 | 162.4 | 0 | 0 | 112.5 | G253 I254 M255 K259 P279 Y283 K309 | G253-E257 PolarHBondContact O-N 2.87Å; G253-E257 VanDerWaalsContact O-N 3.11Å; I254-E257 PolarHBondContact O-N 3.01Å; M255-E257 PolarHBondContact O-N 2.89Å; E257-K259 VanDerWaalsContact C-N 3.3Å; E257-K259 PolarHBondContact O-N 2.73Å; E257-P279 HydrophobicContact CG-CB 3.49Å; E257-P279 VanDerWaalsContact CG-CB 3.49Å; E257-P279 HydrophobicContact CG-CG 3.77Å; E257-Y283 VanDerWaalsContact OE1-CE2 3.31Å; E257-Y283 WeakPolarHBondContact OE1-CE2 3.27Å; E257-Y283 PolarHBondContact OE1-OH 2.91Å; E257-Y283 PolarHBondContact OE2-OH 3.39Å; E257-Y283 VanDerWaalsContact OE2-OH 3.12Å; E257-K309 IonicContact OE1-NZ 3.54Å; E257-K309 PolarHBondContact OE1-NZ 2.99Å; E257-K309 IonicContact OE2-NZ 3.54Å; E257-K309 PolarHBondContact OE2-NZ 3.47Å |
| 258 | R | 89.4 | Confident | 92 | Very high | 29 Ų | 29 | 41 Ų | 41 | 11% | 0.109 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -82.7 | -5.4 | -179.1 | -63.3 | 177.1 | -173.8 | -177.5 | 1.6 | 113.4 | D209 Q210 Y226 I254 M255 L256 D260 E261 | D209-R258 IonicContact OD2-NH1 3.95Å; D209-R258 PolarHBondContact OD2-NH1 2.9Å; Q210-R258 VanDerWaalsContact OE1-CZ 3.22Å; Y226-R258 HydrophobicContact CE2-CB 4.44Å; I254-R258 WeakPolarHBondContact O-CG 3.43Å; I254-R258 PolarHBondContact O-N 2.97Å; M255-R258 PolarHBondContact O-N 3.25Å; M255-R258 VanDerWaalsContact O-N 3.15Å; L256-R258 PolarHBondContact O-N 2.58Å; R258-D260 PolarHBondContact O-N 3.42Å; R258-E261 HydrophobicContact CB-CG 4.42Å; R258-E261 VanDerWaalsContact O-CB 3.28Å; R258-E261 WeakPolarHBondContact O-CB 3.49Å; R258-E261 WeakPolarHBondContact O-CG 2.93Å; R258-E261 PolarHBondContact O-N 3.1Å |
| 259 | K | 88.5 | Confident | 91.9 | Very high | 46 Ų | 46 | 41 Ų | 41 | 20% | 0.2 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -60.1 | -32.8 | -176.8 | 77.9 | -171.2 | 177.4 | 179.5 | 0 | 112.5 | M255 L256 E257 E261 F262 I269 | M255-K259 PolarHBondContact O-N 3.09Å; L256-K259 WeakPolarHBondContact O-CB 3.44Å; L256-K259 VanDerWaalsContact O-CD 3.31Å; L256-K259 WeakPolarHBondContact O-CD 3.49Å; L256-K259 WeakPolarHBondContact O-CG 3.46Å; L256-K259 PolarHBondContact O-N 3.38Å; E257-K259 VanDerWaalsContact C-N 3.3Å; E257-K259 PolarHBondContact O-N 2.73Å; K259-E261 PolarHBondContact O-N 3.24Å; K259-F262 PolarHBondContact O-N 2.75Å; K259-I269 HydrophobicContact CB-CD1 3.43Å; K259-I269 VanDerWaalsContact CB-CD1 3.43Å; K259-I269 HydrophobicContact CD-CD1 4.24Å; K259-I269 HydrophobicContact CG-CD1 4.39Å |
| 260 | D | 86.3 | Confident | 91.6 | Very high | 127 Ų | 127 | 43 Ų | 43 | 68% | 0.679 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -79.9 | -3.9 | -177.4 | -58.2 | -38 | 0 | 0 | 0 | 112.2 | R258 F262 | R258-D260 PolarHBondContact O-N 3.42Å; D260-F262 VanDerWaalsContact C-N 3.32Å |
| 261 | E | 87.8 | Confident | 91.4 | Very high | 75 Ų | 75 | 47.9 Ų | 47.9 | 35% | 0.35 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -80.8 | -12.3 | 174.1 | -56.6 | -176.8 | 174.1 | 0 | 0 | 113.3 | K213 R222 R258 K259 | K213-E261 VanDerWaalsContact CE-OE2 3.26Å; K213-E261 WeakPolarHBondContact CE-OE2 3.5Å; K213-E261 IonicContact NZ-OE1 3.86Å; K213-E261 PolarHBondContact NZ-OE1 2.94Å; K213-E261 IonicContact NZ-OE2 3.23Å; K213-E261 PolarHBondContact NZ-OE2 3.23Å; R222-E261 IonicContact CZ-OE2 3.11Å; R222-E261 IonicContact NH1-OE2 3.89Å; R222-E261 IonicContact NH2-OE2 2.88Å; R222-E261 PolarHBondContact NH2-OE2 3.08Å; R258-E261 HydrophobicContact CB-CG 4.42Å; R258-E261 VanDerWaalsContact O-CB 3.28Å; R258-E261 WeakPolarHBondContact O-CB 3.49Å; R258-E261 WeakPolarHBondContact O-CG 2.93Å; R258-E261 PolarHBondContact O-N 3.1Å; K259-E261 PolarHBondContact O-N 3.24Å |
| 262 | F | 87.8 | Confident | 91.2 | Very high | 16 Ų | 16 | 46.4 Ų | 46.4 | 7% | 0.07 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -94.1 | 149.3 | 178.2 | -64.9 | -87.9 | 0 | 0 | 0 | 110.6 | E219 R222 L223 Y226 K259 D260 S264 P266 | E219-F262 HydrophobicContact CG-CD1 4.01Å; R222-F262 HydrophobicContact CB-CE1 3.79Å; R222-F262 HydrophobicContact CB-CZ 4.18Å; L223-F262 HydrophobicContact CB-CE1 4.38Å; L223-F262 HydrophobicContact CD1-CD1 4.02Å; L223-F262 HydrophobicContact CD1-CE1 4.3Å; Y226-F262 AromaticContact CD2-CE2 3.65Å; Y226-F262 HydrophobicContact CD2-CE2 3.65Å; Y226-F262 AromaticContact CD2-CZ 3.89Å; Y226-F262 HydrophobicContact CD2-CZ 3.89Å; Y226-F262 AromaticContact CE2-CE2 3.97Å; Y226-F262 HydrophobicContact CE2-CE2 3.97Å; Y226-F262 HydrophobicContact CG-CE2 4.07Å; Y226-F262 HydrophobicContact CG-CZ 4.04Å; K259-F262 PolarHBondContact O-N 2.75Å; D260-F262 VanDerWaalsContact C-N 3.32Å; F262-S264 VanDerWaalsContact CB-O 3.22Å; F262-S264 WeakPolarHBondContact CB-O 3.13Å; F262-S264 PolarHBondContact O-N 3.46Å; F262-P266 HydrophobicContact CB-CG 4.3Å; F262-P266 HydrophobicContact CD1-CG 4.45Å; F262-P266 HydrophobicContact CD2-CG 3.56Å; F262-P266 HydrophobicContact CE2-CG 3.94Å; F262-P266 HydrophobicContact CG-CG 3.85Å |
| 263 | S | 88.2 | Confident | 91 | Very high | 101 Ų | 101 | 49.1 Ų | 49.1 | 71% | 0.706 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -63 | -30.8 | 176.1 | 64.6 | 0 | 0 | 0 | 0 | 112.4 | E219 | E219-S263 VanDerWaalsContact CD-OG 3.32Å; E219-S263 VanDerWaalsContact OE1-CB 3.23Å; E219-S263 WeakPolarHBondContact OE1-CB 3.25Å; E219-S263 PolarHBondContact OE1-N 2.97Å; E219-S263 PolarHBondContact OE1-OG 2.95Å; E219-S263 PolarHBondContact OE2-OG 3.3Å |
| 264 | S | 88.6 | Confident | 90.9 | Very high | 72 Ų | 72 | 49.5 Ų | 49.5 | 50% | 0.503 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -132.4 | 144.7 | 174.8 | 59.7 | 0 | 0 | 0 | 0 | 109.9 | F262 P266 | F262-S264 VanDerWaalsContact CB-O 3.22Å; F262-S264 WeakPolarHBondContact CB-O 3.13Å; F262-S264 PolarHBondContact O-N 3.46Å; S264-P266 VanDerWaalsContact O-CD 3.29Å; S264-P266 WeakPolarHBondContact O-CD 3.45Å |
| 265 | I | 88.3 | Confident | 90.7 | Very high | 95 Ų | 95 | 52 Ų | 52 | 49% | 0.487 | 29% | 0.294 | S | S | . | . | trans | -59.7 | 122 | -180 | -60.9 | 175.1 | 0 | 0 | 0 | 108.6 | M267 I269 | I265-M267 PolarHBondContact O-N 3.37Å; I265-I269 HydrophobicContact CG2-CB 4.36Å; I265-I269 HydrophobicContact CG2-CD1 3.8Å | ||
| 266 | P | 92 | Very high | 90.4 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | trans | -55.8 | 129.7 | 178.5 | -27.3 | 34.1 | 0 | 0 | 0 | 112.4 | L223 Y226 F262 S264 S268 I269 | L223-P266 HydrophobicContact CD1-CB 3.99Å; L223-P266 HydrophobicContact CD1-CG 4Å; Y226-P266 HydrophobicContact CD1-CB 3.67Å; Y226-P266 HydrophobicContact CD1-CG 3.89Å; Y226-P266 HydrophobicContact CE1-CB 3.69Å; Y226-P266 HydrophobicContact CE1-CG 3.81Å; F262-P266 HydrophobicContact CB-CG 4.3Å; F262-P266 HydrophobicContact CD1-CG 4.45Å; F262-P266 HydrophobicContact CD2-CG 3.56Å; F262-P266 HydrophobicContact CE2-CG 3.94Å; F262-P266 HydrophobicContact CG-CG 3.85Å; S264-P266 VanDerWaalsContact O-CD 3.29Å; S264-P266 WeakPolarHBondContact O-CD 3.45Å; P266-S268 PolarHBondContact O-N 3.35Å; P266-S268 VanDerWaalsContact O-N 3.13Å; P266-I269 HydrophobicContact CB-CD1 4.31Å; P266-I269 HydrophobicContact CB-CG1 4.48Å; P266-I269 HydrophobicContact CG-CD1 4.31Å; P266-I269 WeakPolarHBondContact O-CB 3.21Å; P266-I269 PolarHBondContact O-N 3.09Å | ||
| 267 | M | 89.6 | Confident | 90.3 | Very high | 114 Ų | 114 | 58.3 Ų | 58.3 | 56% | 0.562 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -57.3 | -31.7 | -176.3 | -78.4 | -60.5 | -60.5 | 0 | 0 | 113.7 | I265 I269 H270 D271 | I265-M267 PolarHBondContact O-N 3.37Å; M267-I269 PolarHBondContact O-N 2.93Å; M267-I269 VanDerWaalsContact O-N 3.09Å; M267-H270 WeakPolarHBondContact O-CB 3.49Å; M267-H270 PolarHBondContact O-N 3.37Å; M267-D271 PolarHBondContact O-N 3.5Å |
| 268 | S | 92.1 | Very high | 90.3 | Very high | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.014 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.1 | -26.5 | 177.4 | 57.1 | 0 | 0 | 0 | 0 | 113.7 | N227 P266 H270 D271 C272 | N227-S268 WeakPolarHBondContact CA-OG 3.34Å; N227-S268 WeakPolarHBondContact OD1-CB 3.45Å; N227-S268 PolarHBondContact OD1-N 2.91Å; N227-S268 PolarHBondContact OD1-OG 3.17Å; P266-S268 PolarHBondContact O-N 3.35Å; P266-S268 VanDerWaalsContact O-N 3.13Å; S268-H270 VanDerWaalsContact C-N 3.33Å; S268-D271 PolarHBondContact O-N 3.06Å; S268-C272 WeakPolarHBondContact O-CB 3.32Å; S268-C272 PolarHBondContact O-N 2.9Å; S268-C272 PolarHBondContact O-SG 3.35Å |
| 269 | I | 93 | Very high | 90.5 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 175.8 | -63.1 | 172.5 | 0 | 0 | 0 | 110.2 | Y226 L230 L256 K259 I265 P266 M267 G273 F274 | Y226-I269 HydrophobicContact CE1-CD1 4.22Å; Y226-I269 HydrophobicContact CE1-CG1 4.06Å; L230-I269 HydrophobicContact CD2-CG1 3.89Å; L256-I269 HydrophobicContact CD2-CG1 4.44Å; L256-I269 HydrophobicContact CD2-CG2 4.3Å; K259-I269 HydrophobicContact CB-CD1 3.43Å; K259-I269 VanDerWaalsContact CB-CD1 3.43Å; K259-I269 HydrophobicContact CD-CD1 4.24Å; K259-I269 HydrophobicContact CG-CD1 4.39Å; I265-I269 HydrophobicContact CG2-CB 4.36Å; I265-I269 HydrophobicContact CG2-CD1 3.8Å; P266-I269 HydrophobicContact CB-CD1 4.31Å; P266-I269 HydrophobicContact CB-CG1 4.48Å; P266-I269 HydrophobicContact CG-CD1 4.31Å; P266-I269 WeakPolarHBondContact O-CB 3.21Å; P266-I269 PolarHBondContact O-N 3.09Å; M267-I269 PolarHBondContact O-N 2.93Å; M267-I269 VanDerWaalsContact O-N 3.09Å; I269-G273 PolarHBondContact O-N 3.36Å; I269-F274 HydrophobicContact CG2-CB 4.24Å; I269-F274 PolarHBondContact O-N 3.43Å |
| 270 | H | 91.8 | Very high | 90.7 | Very high | 99 Ų | 99 | 61.6 Ų | 61.6 | 46% | 0.458 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -71.2 | -48.7 | 174.6 | -76.3 | -82.2 | 0 | 0 | 0 | 111.4 | M267 S268 C272 G273 S275 | M267-H270 WeakPolarHBondContact O-CB 3.49Å; M267-H270 PolarHBondContact O-N 3.37Å; S268-H270 VanDerWaalsContact C-N 3.33Å; H270-C272 VanDerWaalsContact C-N 3.27Å; H270-C272 PolarHBondContact O-N 3.06Å; H270-G273 PolarHBondContact O-N 3.01Å; H270-S275 WeakPolarHBondContact CA-OG 3.5Å; H270-S275 PolarHBondContact CE1-OG 3.16Å; H270-S275 VanDerWaalsContact CE1-OG 3.28Å; H270-S275 PolarHBondContact ND1-OG 3.44Å |
| 271 | D | 92.1 | Very high | 91.1 | Very high | 105 Ų | 105 | 58.3 Ų | 58.3 | 56% | 0.561 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -60.8 | -35.9 | -176.8 | -63 | -18 | 0 | 0 | 0 | 112.5 | M267 S268 G273 | M267-D271 PolarHBondContact O-N 3.5Å; S268-D271 PolarHBondContact O-N 3.06Å; D271-G273 VanDerWaalsContact C-N 3.35Å |
| 272 | C | 92.7 | Very high | 91.4 | Very high | 14 Ų | 14 | 54.8 Ų | 54.8 | 10% | 0.095 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -3.3 | 179.4 | -58.2 | 0 | 0 | 0 | 0 | 113.5 | K234 S268 H270 F274 | K234-C272 HydrophobicContact CB-CB 4.22Å; K234-C272 HydrophobicContact CG-CB 4.16Å; S268-C272 WeakPolarHBondContact O-CB 3.32Å; S268-C272 PolarHBondContact O-N 2.9Å; S268-C272 PolarHBondContact O-SG 3.35Å; H270-C272 VanDerWaalsContact C-N 3.27Å; H270-C272 PolarHBondContact O-N 3.06Å; C272-F274 HydrophobicContact CB-CD2 3.52Å; C272-F274 HydrophobicContact CB-CE2 3.51Å |
| 273 | G | 92.1 | Very high | 91.8 | Very high | 57 Ų | 57 | 54.4 Ų | 54.4 | 59% | 0.588 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | 24.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | I269 H270 D271 | I269-G273 PolarHBondContact O-N 3.36Å; H270-G273 PolarHBondContact O-N 3.01Å; D271-G273 VanDerWaalsContact C-N 3.35Å |
| 274 | F | 93.6 | Very high | 92.1 | Very high | 7 Ų | 7 | 50.9 Ų | 50.9 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | trans | -100.4 | 9.1 | -177.5 | -60.8 | -62.3 | 0 | 0 | 0 | 114.6 | L230 K234 L237 W249 V252 L256 I269 C272 A276 T277 | L230-F274 HydrophobicContact CD1-CD2 3.95Å; L230-F274 HydrophobicContact CD1-CE2 3.87Å; L230-F274 HydrophobicContact CD2-CD2 4.21Å; L230-F274 HydrophobicContact CG-CD2 4.22Å; L230-F274 HydrophobicContact CG-CE2 4.28Å; K234-F274 HydrophobicContact CB-CE2 4.44Å; K234-F274 HydrophobicContact CD-CE2 4.29Å; K234-F274 HydrophobicContact CD-CZ 4.01Å; L237-F274 HydrophobicContact CD1-CE1 4.34Å; L237-F274 HydrophobicContact CD1-CZ 3.84Å; W249-F274 HydrophobicContact CH2-CE1 4.06Å; W249-F274 AromaticContact CZ3-CE1 3.83Å; W249-F274 HydrophobicContact CZ3-CE1 3.83Å; V252-F274 HydrophobicContact CG1-CD1 4.16Å; V252-F274 HydrophobicContact CG1-CD2 4.42Å; V252-F274 HydrophobicContact CG1-CE1 3.94Å; V252-F274 HydrophobicContact CG1-CE2 4.21Å; V252-F274 HydrophobicContact CG1-CG 4.4Å; V252-F274 HydrophobicContact CG1-CZ 3.97Å; V252-F274 HydrophobicContact CG2-CE2 4.48Å; V252-F274 HydrophobicContact CG2-CZ 4.21Å; L256-F274 HydrophobicContact CD1-CB 4.39Å; L256-F274 HydrophobicContact CD2-CB 3.99Å; I269-F274 HydrophobicContact CG2-CB 4.24Å; I269-F274 PolarHBondContact O-N 3.43Å; C272-F274 HydrophobicContact CB-CD2 3.52Å; C272-F274 HydrophobicContact CB-CE2 3.51Å; F274-A276 VanDerWaalsContact C-N 3.26Å; F274-A276 PolarHBondContact O-N 3.34Å; F274-T277 HydrophobicContact CD1-CG2 4.46Å; F274-T277 WeakPolarHBondContact O-CB 3.34Å; F274-T277 PolarHBondContact O-N 3.28Å | ||
| 275 | S | 89.4 | Confident | 92.4 | Very high | 56 Ų | 56 | 49.9 Ų | 49.9 | 39% | 0.392 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -33.4 | -174.8 | -49.7 | 0 | 0 | 0 | 0 | 114.7 | H270 | H270-S275 WeakPolarHBondContact CA-OG 3.5Å; H270-S275 PolarHBondContact CE1-OG 3.16Å; H270-S275 VanDerWaalsContact CE1-OG 3.28Å; H270-S275 PolarHBondContact ND1-OG 3.44Å |
| 276 | A | 88.5 | Confident | 92.8 | Very high | 104 Ų | 104 | 45.4 Ų | 45.4 | 86% | 0.86 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | 6.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | F274 | F274-A276 VanDerWaalsContact C-N 3.26Å; F274-A276 PolarHBondContact O-N 3.34Å |
| 277 | T | 92.2 | Very high | 92.9 | Very high | 33 Ų | 33 | 47 Ų | 47 | 20% | 0.202 | 29% | 0.293 | C | S | . | . | trans | -87.8 | 129.5 | -177.1 | -51.8 | 0 | 0 | 0 | 0 | 110 | L256 F274 C282 | L256-T277 HydrophobicContact CD1-CG2 3.98Å; F274-T277 HydrophobicContact CD1-CG2 4.46Å; F274-T277 WeakPolarHBondContact O-CB 3.34Å; F274-T277 PolarHBondContact O-N 3.28Å; T277-C282 WeakPolarHBondContact CG2-SG 3.28Å | ||
| 278 | D | 92 | Very high | 93.2 | Very high | 86 Ų | 86 | 47.3 Ų | 47.3 | 46% | 0.46 | 30% | 0.296 | S | S | . | . | trans | -86.6 | 138.8 | 175.2 | -177.2 | 75.8 | 0 | 0 | 0 | 110.7 | L280 S281 C282 | D278-L280 VanDerWaalsContact C-N 3.27Å; D278-L280 PolarHBondContact O-N 3.3Å; D278-L280 WeakPolarHBondContact OD2-CA 3.03Å; D278-L280 WeakPolarHBondContact OD2-CB 3.49Å; D278-L280 PolarHBondContact OD2-N 3.49Å; D278-S281 PolarHBondContact O-N 2.76Å; D278-S281 VanDerWaalsContact O-N 3.13Å; D278-S281 PolarHBondContact O-OG 3.24Å; D278-C282 PolarHBondContact O-N 2.99Å | ||
| 279 | P | 93.3 | Very high | 93.3 | Very high | 17 Ų | 17 | 49.8 Ų | 49.8 | 11% | 0.11 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.8 | -34.5 | 179 | -22.1 | 30.6 | 0 | 0 | 0 | 114.5 | L256 E257 S281 C282 Y283 | L256-P279 HydrophobicContact CB-CB 4.31Å; L256-P279 HydrophobicContact CB-CG 3.88Å; E257-P279 HydrophobicContact CG-CB 3.49Å; E257-P279 VanDerWaalsContact CG-CB 3.49Å; E257-P279 HydrophobicContact CG-CG 3.77Å; P279-S281 VanDerWaalsContact C-N 3.31Å; P279-S281 PolarHBondContact O-N 3.44Å; P279-C282 WeakPolarHBondContact O-CB 3.25Å; P279-C282 PolarHBondContact O-N 3.45Å; P279-Y283 WeakPolarHBondContact O-CD2 3.47Å; P279-Y283 PolarHBondContact O-N 3.45Å |
| 280 | L | 92.8 | Very high | 93.2 | Very high | 111 Ų | 111 | 49.7 Ų | 49.7 | 58% | 0.581 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -69.2 | -32.1 | 178.9 | -59.3 | 174.7 | 0 | 0 | 0 | 111.7 | D278 C282 Y283 G284 M312 | D278-L280 VanDerWaalsContact C-N 3.27Å; D278-L280 PolarHBondContact O-N 3.3Å; D278-L280 WeakPolarHBondContact OD2-CA 3.03Å; D278-L280 WeakPolarHBondContact OD2-CB 3.49Å; D278-L280 PolarHBondContact OD2-N 3.49Å; L280-C282 VanDerWaalsContact C-N 3.31Å; L280-Y283 HydrophobicContact CD2-CD2 4.31Å; L280-Y283 PolarHBondContact O-N 3.25Å; L280-G284 PolarHBondContact O-N 2.95Å; L280-M312 HydrophobicContact CD2-CE 4.39Å |
| 281 | S | 94.7 | Very high | 93.2 | Very high | 57 Ų | 57 | 48 Ų | 48 | 40% | 0.399 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.2 | -31 | 175 | 76.1 | 0 | 0 | 0 | 0 | 112.1 | D278 P279 G284 T285 | D278-S281 PolarHBondContact O-N 2.76Å; D278-S281 VanDerWaalsContact O-N 3.13Å; D278-S281 PolarHBondContact O-OG 3.24Å; P279-S281 VanDerWaalsContact C-N 3.31Å; P279-S281 PolarHBondContact O-N 3.44Å; S281-G284 PolarHBondContact O-N 3.32Å; S281-T285 WeakPolarHBondContact O-CB 3.43Å; S281-T285 PolarHBondContact O-N 2.92Å; S281-T285 PolarHBondContact O-OG1 3.15Å |
| 282 | C | 95.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.007 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.3 | -47.1 | 170.9 | -65.9 | 0 | 0 | 0 | 0 | 111.7 | W249 T277 D278 P279 L280 T285 A286 | W249-C282 HydrophobicContact CE3-CB 4.19Å; T277-C282 WeakPolarHBondContact CG2-SG 3.28Å; D278-C282 PolarHBondContact O-N 2.99Å; P279-C282 WeakPolarHBondContact O-CB 3.25Å; P279-C282 PolarHBondContact O-N 3.45Å; L280-C282 VanDerWaalsContact C-N 3.31Å; C282-T285 PolarHBondContact O-N 3.16Å; C282-A286 PolarHBondContact O-N 2.97Å |
| 283 | Y | 94.8 | Very high | 93.1 | Very high | 8 Ų | 8 | 49.6 Ų | 49.6 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 174.9 | -59.8 | -56.2 | 0 | 0 | 0 | 111.8 | I254 E257 P279 L280 T285 A286 L287 I304 K309 M312 | I254-Y283 WeakPolarHBondContact CA-OH 3.39Å; I254-Y283 HydrophobicContact CG1-CE1 4.25Å; I254-Y283 PolarHBondContact N-OH 3.32Å; E257-Y283 VanDerWaalsContact OE1-CE2 3.31Å; E257-Y283 WeakPolarHBondContact OE1-CE2 3.27Å; E257-Y283 PolarHBondContact OE1-OH 2.91Å; E257-Y283 PolarHBondContact OE2-OH 3.39Å; E257-Y283 VanDerWaalsContact OE2-OH 3.12Å; P279-Y283 WeakPolarHBondContact O-CD2 3.47Å; P279-Y283 PolarHBondContact O-N 3.45Å; L280-Y283 HydrophobicContact CD2-CD2 4.31Å; L280-Y283 PolarHBondContact O-N 3.25Å; Y283-T285 VanDerWaalsContact C-N 3.35Å; Y283-T285 PolarHBondContact O-N 3.29Å; Y283-A286 WeakPolarHBondContact O-CB 3.49Å; Y283-A286 PolarHBondContact O-N 3.28Å; Y283-L287 VanDerWaalsContact O-CG 3.29Å; Y283-L287 WeakPolarHBondContact O-CG 3.48Å; Y283-L287 PolarHBondContact O-N 3.29Å; Y283-I304 HydrophobicContact CD1-CD1 4.06Å; Y283-I304 HydrophobicContact CE1-CD1 3.77Å; Y283-K309 PolarHBondContact OH-NZ 3.26Å; Y283-M312 HydrophobicContact CD2-CE 3.96Å; Y283-M312 HydrophobicContact CD2-SD 4.37Å; Y283-M312 HydrophobicContact CE2-CE 4.47Å; Y283-M312 HydrophobicContact CG-CE 4.36Å; Y283-M312 HydrophobicContact CG-SD 4.3Å |
| 284 | G | 94.3 | Very high | 93.2 | Very high | 27 Ų | 27 | 47.9 Ų | 47.9 | 28% | 0.278 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -56.5 | -48.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | L280 S281 A286 L287 D288 | L280-G284 PolarHBondContact O-N 2.95Å; S281-G284 PolarHBondContact O-N 3.32Å; G284-A286 VanDerWaalsContact C-N 3.33Å; G284-A286 PolarHBondContact O-N 3.48Å; G284-L287 PolarHBondContact O-N 3.5Å; G284-L287 VanDerWaalsContact O-N 3.15Å; G284-D288 VanDerWaalsContact O-CG 3.25Å; G284-D288 PolarHBondContact O-N 3.11Å |
| 285 | T | 95.6 | Very high | 93.1 | Very high | 52 Ų | 52 | 50.9 Ų | 50.9 | 32% | 0.319 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 177.1 | -52.1 | 0 | 0 | 0 | 0 | 111.8 | W249 S281 C282 Y283 L287 D288 L289 | W249-T285 HydrophobicContact CD2-CG2 4.15Å; W249-T285 HydrophobicContact CG-CG2 4.13Å; W249-T285 HydrophobicContact CZ2-CG2 4.49Å; S281-T285 WeakPolarHBondContact O-CB 3.43Å; S281-T285 PolarHBondContact O-N 2.92Å; S281-T285 PolarHBondContact O-OG1 3.15Å; C282-T285 PolarHBondContact O-N 3.16Å; Y283-T285 VanDerWaalsContact C-N 3.35Å; Y283-T285 PolarHBondContact O-N 3.29Å; T285-L287 VanDerWaalsContact C-N 3.34Å; T285-L287 PolarHBondContact O-N 2.99Å; T285-D288 PolarHBondContact O-N 3.08Å; T285-L289 HydrophobicContact CG2-CD1 4.4Å; T285-L289 VanDerWaalsContact O-CG 3.28Å; T285-L289 WeakPolarHBondContact O-CG 3.47Å; T285-L289 PolarHBondContact O-N 3.28Å; T285-L289 VanDerWaalsContact O-N 3.12Å |
| 286 | A | 95.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62 | -41.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | A246 W249 C250 C282 Y283 G284 A290 L300 | A246-A286 VanDerWaalsContact O-CB 3.29Å; A246-A286 WeakPolarHBondContact O-CB 3.41Å; W249-A286 HydrophobicContact CB-CB 3.88Å; C250-A286 HydrophobicContact CB-CB 4.39Å; C282-A286 PolarHBondContact O-N 2.97Å; Y283-A286 WeakPolarHBondContact O-CB 3.49Å; Y283-A286 PolarHBondContact O-N 3.28Å; G284-A286 VanDerWaalsContact C-N 3.33Å; G284-A286 PolarHBondContact O-N 3.48Å; A286-A290 WeakPolarHBondContact O-CB 3.34Å; A286-A290 PolarHBondContact O-N 3.4Å; A286-L300 HydrophobicContact CB-CD1 4.37Å; A286-L300 HydrophobicContact CB-CD2 4.39Å |
| 287 | L | 94.9 | Very high | 93.7 | Very high | 34 Ų | 34 | 43.3 Ų | 43.3 | 18% | 0.178 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -72.6 | -36.9 | 178.9 | -66.7 | 173.2 | 0 | 0 | 0 | 112.6 | Y283 G284 T285 L289 A290 S291 L297 L300 I316 | Y283-L287 VanDerWaalsContact O-CG 3.29Å; Y283-L287 WeakPolarHBondContact O-CG 3.48Å; Y283-L287 PolarHBondContact O-N 3.29Å; G284-L287 PolarHBondContact O-N 3.5Å; G284-L287 VanDerWaalsContact O-N 3.15Å; T285-L287 VanDerWaalsContact C-N 3.34Å; T285-L287 PolarHBondContact O-N 2.99Å; L287-L289 VanDerWaalsContact C-N 3.31Å; L287-L289 PolarHBondContact O-N 3.36Å; L287-A290 CarbonylContact O-C 3.44Å; L287-A290 PolarHBondContact O-N 2.91Å; L287-A290 VanDerWaalsContact O-N 3.13Å; L287-S291 WeakPolarHBondContact O-CA 3.41Å; L287-S291 PolarHBondContact O-N 3.08Å; L287-L297 HydrophobicContact CD2-CD2 4.18Å; L287-L300 HydrophobicContact CD2-CD1 4.06Å; L287-I316 HydrophobicContact CD1-CG1 4.48Å; L287-I316 HydrophobicContact CD2-CD1 3.88Å; L287-I316 HydrophobicContact CD2-CG1 3.66Å; L287-I316 HydrophobicContact CD2-CG2 4.2Å |
| 288 | D | 95 | Very high | 93.8 | Very high | 120 Ų | 120 | 42.3 Ų | 42.3 | 64% | 0.642 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -61.8 | -42.5 | 175.1 | -71.1 | -23.5 | 0 | 0 | 0 | 110.7 | G284 T285 A290 S291 | G284-D288 VanDerWaalsContact O-CG 3.25Å; G284-D288 PolarHBondContact O-N 3.11Å; T285-D288 PolarHBondContact O-N 3.08Å; D288-A290 VanDerWaalsContact C-N 3.25Å; D288-A290 PolarHBondContact O-N 3.33Å; D288-S291 WeakPolarHBondContact O-CB 3.45Å; D288-S291 PolarHBondContact O-N 3.24Å; D288-S291 PolarHBondContact O-OG 3.02Å |
| 289 | L | 94.2 | Very high | 93.9 | Very high | 55 Ų | 55 | 40 Ų | 40 | 29% | 0.288 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65 | -27.6 | 174.9 | -72.5 | 170.2 | 0 | 0 | 0 | 113.6 | K245 A246 T285 L287 | K245-L289 HydrophobicContact CB-CD1 4.14Å; A246-L289 HydrophobicContact CB-CB 4.13Å; T285-L289 HydrophobicContact CG2-CD1 4.4Å; T285-L289 VanDerWaalsContact O-CG 3.28Å; T285-L289 WeakPolarHBondContact O-CG 3.47Å; T285-L289 PolarHBondContact O-N 3.28Å; T285-L289 VanDerWaalsContact O-N 3.12Å; L287-L289 VanDerWaalsContact C-N 3.31Å; L287-L289 PolarHBondContact O-N 3.36Å |
| 290 | A | 92.6 | Very high | 94 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -98.2 | -1.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A286 L287 D288 D292 D293 I296 L297 L300 | A286-A290 WeakPolarHBondContact O-CB 3.34Å; A286-A290 PolarHBondContact O-N 3.4Å; L287-A290 CarbonylContact O-C 3.44Å; L287-A290 PolarHBondContact O-N 2.91Å; L287-A290 VanDerWaalsContact O-N 3.13Å; D288-A290 VanDerWaalsContact C-N 3.25Å; D288-A290 PolarHBondContact O-N 3.33Å; A290-D292 PolarHBondContact O-N 3.37Å; A290-D293 PolarHBondContact O-N 3.46Å; A290-I296 HydrophobicContact CB-CB 3.91Å; A290-I296 HydrophobicContact CB-CG2 3.48Å; A290-I296 VanDerWaalsContact CB-CG2 3.48Å; A290-L297 HydrophobicContact CB-CD2 3.81Å; A290-L297 HydrophobicContact CB-CG 4.05Å; A290-L297 WeakPolarHBondContact O-CD1 3.41Å; A290-L297 VanDerWaalsContact O-CG 3.3Å; A290-L297 WeakPolarHBondContact O-CG 3.33Å; A290-L300 HydrophobicContact CB-CD1 3.82Å |
| 291 | S | 90.2 | Very high | 94.1 | Very high | 64 Ų | 64 | 34 Ų | 34 | 45% | 0.448 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -25.6 | -165.1 | 55.7 | 0 | 0 | 0 | 0 | 114.8 | L287 D288 V323 | L287-S291 WeakPolarHBondContact O-CA 3.41Å; L287-S291 PolarHBondContact O-N 3.08Å; D288-S291 WeakPolarHBondContact O-CB 3.45Å; D288-S291 PolarHBondContact O-N 3.24Å; D288-S291 PolarHBondContact O-OG 3.02Å; S291-V323 WeakPolarHBondContact O-CG2 3.41Å |
| 292 | D | 91.3 | Very high | 94 | Very high | 100 Ų | 100 | 36.1 Ų | 36.1 | 54% | 0.535 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -3.2 | 178.5 | 62 | -27.9 | 0 | 0 | 0 | 114.3 | K242 A290 | K242-D292 IonicContact NZ-OD1 2.73Å; K242-D292 IonicContact NZ-OD2 3.16Å; K242-D292 PolarHBondContact NZ-OD2 3.48Å; A290-D292 PolarHBondContact O-N 3.37Å |
| 293 | D | 93.1 | Very high | 93.9 | Very high | 51 Ų | 51 | 37.3 Ų | 37.3 | 27% | 0.273 | 21% | 0.207 | S | C | . | . | trans | -118.8 | 106.1 | -171.5 | -168 | -31.3 | 0 | 0 | 0 | 112.3 | A290 I295 I296 L297 | A290-D293 PolarHBondContact O-N 3.46Å; D293-I295 VanDerWaalsContact C-N 3.27Å; D293-I295 PolarHBondContact O-N 3.1Å; D293-I295 WeakPolarHBondContact OD1-CB 3.27Å; D293-I295 PolarHBondContact OD1-N 3.4Å; D293-I296 HydrophobicContact CB-CB 4.28Å; D293-I296 HydrophobicContact CB-CD1 3.93Å; D293-I296 HydrophobicContact CB-CG1 4.09Å; D293-I296 PolarHBondContact O-N 3.46Å; D293-I296 PolarHBondContact OD1-N 3.3Å; D293-I296 WeakPolarHBondContact OD2-CD1 3.09Å; D293-L297 WeakPolarHBondContact O-CG 3.31Å; D293-L297 PolarHBondContact O-N 3.21Å | ||
| 294 | T | 93.5 | Very high | 93.9 | Very high | 21 Ų | 21 | 37 Ų | 37 | 13% | 0.129 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.1 | -30.6 | -178.7 | 56.2 | 0 | 0 | 0 | 0 | 113.9 | N298 V323 L324 | T294-N298 WeakPolarHBondContact O-CB 3.48Å; T294-N298 VanDerWaalsContact O-CG 3.31Å; T294-N298 PolarHBondContact O-N 3.23Å; T294-N298 PolarHBondContact O-ND2 3.21Å; T294-V323 HydrophobicContact CG2-CB 3.69Å; T294-V323 HydrophobicContact CG2-CG1 3.49Å; T294-V323 VanDerWaalsContact CG2-CG1 3.49Å; T294-L324 HydrophobicContact CG2-CB 3.37Å; T294-L324 HydrophobicContact CG2-CD2 4.33Å |
| 295 | I | 92 | Very high | 93.9 | Very high | 71 Ų | 71 | 37.1 Ų | 37.1 | 36% | 0.364 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -70.3 | -48 | -178.5 | -63.8 | 174.8 | 0 | 0 | 0 | 108.8 | V57 D293 L297 N298 L299 | V57-I295 HydrophobicContact CB-CG2 4Å; V57-I295 HydrophobicContact CG1-CG2 3.24Å; V57-I295 HydrophobicContact CG2-CG2 3.74Å; D293-I295 VanDerWaalsContact C-N 3.27Å; D293-I295 PolarHBondContact O-N 3.1Å; D293-I295 WeakPolarHBondContact OD1-CB 3.27Å; D293-I295 PolarHBondContact OD1-N 3.4Å; I295-L297 VanDerWaalsContact C-N 3.34Å; I295-L297 PolarHBondContact O-N 3.04Å; I295-N298 PolarHBondContact O-N 2.9Å; I295-L299 WeakPolarHBondContact O-CG 3.48Å; I295-L299 PolarHBondContact O-N 2.9Å |
| 296 | I | 93.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.6 | -42.1 | 177.8 | -56.8 | 175.7 | 0 | 0 | 0 | 110.5 | K242 Q243 A246 A290 D293 N298 L299 L300 | K242-I296 HydrophobicContact CB-CD1 3.99Å; Q243-I296 HydrophobicContact CB-CD1 4.16Å; Q243-I296 HydrophobicContact CB-CG1 4.14Å; Q243-I296 HydrophobicContact CG-CG1 4.49Å; A246-I296 HydrophobicContact CB-CG2 3.59Å; A290-I296 HydrophobicContact CB-CB 3.91Å; A290-I296 HydrophobicContact CB-CG2 3.48Å; A290-I296 VanDerWaalsContact CB-CG2 3.48Å; D293-I296 HydrophobicContact CB-CB 4.28Å; D293-I296 HydrophobicContact CB-CD1 3.93Å; D293-I296 HydrophobicContact CB-CG1 4.09Å; D293-I296 PolarHBondContact O-N 3.46Å; D293-I296 PolarHBondContact OD1-N 3.3Å; D293-I296 WeakPolarHBondContact OD2-CD1 3.09Å; I296-N298 VanDerWaalsContact C-N 3.33Å; I296-N298 PolarHBondContact O-N 3.21Å; I296-L299 PolarHBondContact O-N 3.47Å; I296-L300 HydrophobicContact CG2-CD1 4.11Å; I296-L300 HydrophobicContact CG2-CG 4.34Å; I296-L300 WeakPolarHBondContact O-CG 3.47Å; I296-L300 PolarHBondContact O-N 2.89Å |
| 297 | L | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.2 | -41.4 | 176.2 | -69.7 | 168.4 | 0 | 0 | 0 | 112 | L287 A290 D293 I295 L300 A301 I316 M319 A320 V323 | L287-L297 HydrophobicContact CD2-CD2 4.18Å; A290-L297 HydrophobicContact CB-CD2 3.81Å; A290-L297 HydrophobicContact CB-CG 4.05Å; A290-L297 WeakPolarHBondContact O-CD1 3.41Å; A290-L297 VanDerWaalsContact O-CG 3.3Å; A290-L297 WeakPolarHBondContact O-CG 3.33Å; D293-L297 WeakPolarHBondContact O-CG 3.31Å; D293-L297 PolarHBondContact O-N 3.21Å; I295-L297 VanDerWaalsContact C-N 3.34Å; I295-L297 PolarHBondContact O-N 3.04Å; L297-L300 PolarHBondContact O-N 3.02Å; L297-A301 VanDerWaalsContact O-CB 3.31Å; L297-A301 WeakPolarHBondContact O-CB 3.43Å; L297-A301 PolarHBondContact O-N 3.33Å; L297-I316 HydrophobicContact CB-CG2 4.16Å; L297-I316 HydrophobicContact CD2-CG2 3.99Å; L297-I316 WeakPolarHBondContact O-CG2 3.43Å; L297-M319 HydrophobicContact CD1-CB 4.3Å; L297-M319 HydrophobicContact CD2-CB 4.43Å; L297-M319 HydrophobicContact CD2-CE 4.37Å; L297-A320 HydrophobicContact CB-CB 3.84Å; L297-A320 HydrophobicContact CD1-CB 4.23Å; L297-V323 HydrophobicContact CD1-CG2 4.37Å |
| 298 | N | 94.3 | Very high | 93.1 | Very high | 11 Ų | 11 | 41.3 Ų | 41.3 | 6% | 0.059 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.4 | -40.9 | 176.3 | -77.9 | -29 | 0 | 0 | 0 | 112.6 | T294 I295 I296 A301 K302 N330 Q332 A333 | T294-N298 WeakPolarHBondContact O-CB 3.48Å; T294-N298 VanDerWaalsContact O-CG 3.31Å; T294-N298 PolarHBondContact O-N 3.23Å; T294-N298 PolarHBondContact O-ND2 3.21Å; I295-N298 PolarHBondContact O-N 2.9Å; I296-N298 VanDerWaalsContact C-N 3.33Å; I296-N298 PolarHBondContact O-N 3.21Å; N298-A301 PolarHBondContact O-N 3.42Å; N298-K302 WeakPolarHBondContact O-CB 3.47Å; N298-K302 PolarHBondContact O-N 3.16Å; N298-N330 PolarHBondContact ND2-OD1 2.99Å; N298-Q332 HydrophobicContact CB-CB 4.4Å; N298-A333 WeakPolarHBondContact OD1-CB 3.43Å; N298-A333 PolarHBondContact OD1-N 3.12Å |
| 299 | L | 93.1 | Very high | 93 | Very high | 38 Ų | 38 | 38.1 Ų | 38.1 | 20% | 0.199 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.3 | -44.7 | 174.3 | -67.2 | 177.1 | 0 | 0 | 0 | 111.8 | V57 Q243 L247 I295 I296 K302 I303 | V57-L299 HydrophobicContact CG1-CD1 3.67Å; V57-L299 HydrophobicContact CG1-CD2 4.09Å; V57-L299 HydrophobicContact CG1-CG 4.09Å; Q243-L299 HydrophobicContact CG-CD1 4.09Å; L247-L299 HydrophobicContact CD1-CD1 4.11Å; L247-L299 HydrophobicContact CD2-CB 3.88Å; L247-L299 HydrophobicContact CD2-CD1 4.39Å; I295-L299 WeakPolarHBondContact O-CG 3.48Å; I295-L299 PolarHBondContact O-N 2.9Å; I296-L299 PolarHBondContact O-N 3.47Å; L299-K302 PolarHBondContact O-N 3.21Å; L299-I303 WeakPolarHBondContact O-CG1 3.46Å; L299-I303 PolarHBondContact O-N 3.04Å |
| 300 | L | 95.6 | Very high | 93 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.4 | -45.6 | 176.3 | -70.8 | 174.6 | 0 | 0 | 0 | 111.3 | L247 C250 A286 L287 A290 I296 L297 K302 I303 I304 I316 | L247-L300 HydrophobicContact CD2-CD2 4Å; L247-L300 HydrophobicContact CD2-CG 4.41Å; C250-L300 HydrophobicContact CB-CD2 3.51Å; A286-L300 HydrophobicContact CB-CD1 4.37Å; A286-L300 HydrophobicContact CB-CD2 4.39Å; L287-L300 HydrophobicContact CD2-CD1 4.06Å; A290-L300 HydrophobicContact CB-CD1 3.82Å; I296-L300 HydrophobicContact CG2-CD1 4.11Å; I296-L300 HydrophobicContact CG2-CG 4.34Å; I296-L300 WeakPolarHBondContact O-CG 3.47Å; I296-L300 PolarHBondContact O-N 2.89Å; L297-L300 PolarHBondContact O-N 3.02Å; L300-K302 VanDerWaalsContact C-N 3.29Å; L300-K302 PolarHBondContact O-N 3.05Å; L300-I303 PolarHBondContact O-N 3.35Å; L300-I304 WeakPolarHBondContact O-CB 3.45Å; L300-I304 VanDerWaalsContact O-CG1 3.31Å; L300-I304 WeakPolarHBondContact O-CG1 3.47Å; L300-I304 PolarHBondContact O-N 2.93Å; L300-I316 HydrophobicContact CB-CD1 4.36Å; L300-I316 HydrophobicContact CB-CG2 4.38Å |
| 301 | A | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.9 | -43.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L297 N298 F305 I316 | L297-A301 VanDerWaalsContact O-CB 3.31Å; L297-A301 WeakPolarHBondContact O-CB 3.43Å; L297-A301 PolarHBondContact O-N 3.33Å; N298-A301 PolarHBondContact O-N 3.42Å; A301-F305 WeakPolarHBondContact O-CB 3.5Å; A301-F305 PolarHBondContact O-N 2.84Å; A301-I316 HydrophobicContact CB-CB 4.06Å; A301-I316 HydrophobicContact CB-CG2 3.82Å |
| 302 | K | 92.9 | Very high | 93.3 | Very high | 101 Ų | 101 | 44.4 Ų | 44.4 | 44% | 0.439 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.8 | -50.6 | 174.8 | -173.6 | 179.2 | -180 | -178.3 | 0 | 111.1 | N298 L299 L300 I304 F305 L306 | N298-K302 WeakPolarHBondContact O-CB 3.47Å; N298-K302 PolarHBondContact O-N 3.16Å; L299-K302 PolarHBondContact O-N 3.21Å; L300-K302 VanDerWaalsContact C-N 3.29Å; L300-K302 PolarHBondContact O-N 3.05Å; K302-I304 PolarHBondContact O-N 2.83Å; K302-F305 WeakPolarHBondContact O-CB 3.48Å; K302-F305 PolarHBondContact O-N 3.44Å; K302-L306 HydrophobicContact CG-CD1 4.39Å; K302-L306 VanDerWaalsContact O-CG 3.26Å; K302-L306 WeakPolarHBondContact O-CG 3.21Å; K302-L306 PolarHBondContact O-N 3.02Å |
| 303 | I | 92.4 | Very high | 93.5 | Very high | 26 Ų | 26 | 39.7 Ų | 39.7 | 13% | 0.133 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.6 | -50 | 179.8 | -68.1 | 164.8 | 0 | 0 | 0 | 111.3 | L247 Y251 I254 L299 L300 F305 L306 L307 | L247-I303 HydrophobicContact CD2-CD1 3.7Å; Y251-I303 HydrophobicContact CE2-CD1 3.82Å; I254-I303 HydrophobicContact CD1-CG2 3.88Å; L299-I303 WeakPolarHBondContact O-CG1 3.46Å; L299-I303 PolarHBondContact O-N 3.04Å; L300-I303 PolarHBondContact O-N 3.35Å; I303-F305 VanDerWaalsContact C-N 3.3Å; I303-F305 PolarHBondContact O-N 2.74Å; I303-L306 PolarHBondContact O-N 2.97Å; I303-L307 WeakPolarHBondContact O-CG 3.47Å; I303-L307 PolarHBondContact O-N 3.38Å |
| 304 | I | 94.4 | Very high | 93.7 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65 | -35.9 | -179.1 | -64.1 | -57.4 | 0 | 0 | 0 | 111.6 | Y283 L300 K302 L307 K309 M312 A313 I316 | Y283-I304 HydrophobicContact CD1-CD1 4.06Å; Y283-I304 HydrophobicContact CE1-CD1 3.77Å; L300-I304 WeakPolarHBondContact O-CB 3.45Å; L300-I304 VanDerWaalsContact O-CG1 3.31Å; L300-I304 WeakPolarHBondContact O-CG1 3.47Å; L300-I304 PolarHBondContact O-N 2.93Å; K302-I304 PolarHBondContact O-N 2.83Å; I304-L307 HydrophobicContact CD1-CD1 4.08Å; I304-L307 PolarHBondContact O-N 3.23Å; I304-K309 HydrophobicContact CG2-CB 3.69Å; I304-K309 WeakPolarHBondContact CG2-O 3.49Å; I304-K309 PolarHBondContact O-N 3.13Å; I304-M312 HydrophobicContact CD1-SD 3.93Å; I304-M312 HydrophobicContact CG1-SD 4.17Å; I304-M312 HydrophobicContact CG2-CB 3.74Å; I304-M312 HydrophobicContact CG2-CG 3.78Å; I304-M312 HydrophobicContact CG2-SD 3.78Å; I304-A313 HydrophobicContact CB-CB 4.37Å; I304-A313 HydrophobicContact CG2-CB 3.98Å; I304-I316 HydrophobicContact CB-CD1 4.29Å; I304-I316 HydrophobicContact CG1-CD1 3.88Å |
| 305 | F | 94.8 | Very high | 93.8 | Very high | 29 Ų | 29 | 39 Ų | 39 | 13% | 0.127 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.3 | -47 | 172.4 | 170.6 | -103.6 | 0 | 0 | 0 | 111.8 | A301 K302 I303 L307 G308 H310 A313 T336 K339 I340 I343 | A301-F305 WeakPolarHBondContact O-CB 3.5Å; A301-F305 PolarHBondContact O-N 2.84Å; K302-F305 WeakPolarHBondContact O-CB 3.48Å; K302-F305 PolarHBondContact O-N 3.44Å; I303-F305 VanDerWaalsContact C-N 3.3Å; I303-F305 PolarHBondContact O-N 2.74Å; F305-L307 PolarHBondContact O-N 3.48Å; F305-G308 PolarHBondContact O-N 3.26Å; F305-H310 AromaticContact CD2-ND1 3.97Å; F305-A313 HydrophobicContact CB-CB 4.08Å; F305-T336 HydrophobicContact CB-CG2 4.41Å; F305-T336 HydrophobicContact CG-CG2 4.47Å; F305-K339 HydrophobicContact CE1-CD 4.37Å; F305-K339 HydrophobicContact CZ-CD 3.91Å; F305-K339 HydrophobicContact CZ-CG 4.07Å; F305-I340 HydrophobicContact CD2-CD1 3.95Å; F305-I340 HydrophobicContact CD2-CG1 3.41Å; F305-I340 VanDerWaalsContact CD2-CG1 3.41Å; F305-I340 HydrophobicContact CE2-CG1 3.67Å; F305-I343 HydrophobicContact CE2-CD1 3.68Å; F305-I343 HydrophobicContact CZ-CD1 3.67Å |
| 306 | L | 90.4 | Very high | 94 | Very high | 76 Ų | 76 | 35.9 Ų | 35.9 | 40% | 0.398 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.9 | -24.4 | 178.7 | -62.8 | 172.8 | 0 | 0 | 0 | 112.2 | K302 I303 G308 L567 | K302-L306 HydrophobicContact CG-CD1 4.39Å; K302-L306 VanDerWaalsContact O-CG 3.26Å; K302-L306 WeakPolarHBondContact O-CG 3.21Å; K302-L306 PolarHBondContact O-N 3.02Å; I303-L306 PolarHBondContact O-N 2.97Å; L306-G308 VanDerWaalsContact C-N 3.25Å; L306-G308 PolarHBondContact O-N 3.39Å; L306-L567 HydrophobicContact CB-CD1 4.49Å; L306-L567 HydrophobicContact CB-CD2 3.85Å; L306-L567 HydrophobicContact CD2-CD2 3.27Å; L306-L567 HydrophobicContact CG-CD2 4.09Å; L306-L567 WeakPolarHBondContact O-CD1 3.45Å |
| 307 | L | 89.1 | Confident | 94.1 | Very high | 63 Ų | 63 | 35.8 Ų | 35.8 | 33% | 0.33 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -4 | 172.8 | -63.2 | 169.7 | 0 | 0 | 0 | 114 | I254 I303 I304 F305 K309 | I254-L307 HydrophobicContact CD1-CD1 3.54Å; I254-L307 HydrophobicContact CD1-CD2 4.35Å; I254-L307 HydrophobicContact CD1-CG 4.41Å; I254-L307 HydrophobicContact CG1-CD1 3.56Å; I254-L307 HydrophobicContact CG2-CD2 4.3Å; I303-L307 WeakPolarHBondContact O-CG 3.47Å; I303-L307 PolarHBondContact O-N 3.38Å; I304-L307 HydrophobicContact CD1-CD1 4.08Å; I304-L307 PolarHBondContact O-N 3.23Å; F305-L307 PolarHBondContact O-N 3.48Å; L307-K309 VanDerWaalsContact C-N 3.29Å; L307-K309 HydrophobicContact CB-CG 4.46Å; L307-K309 PolarHBondContact O-N 3.41Å |
| 308 | G | 90.4 | Very high | 94.1 | Very high | 36 Ų | 36 | 38.7 Ų | 38.7 | 37% | 0.371 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.6 | F305 L306 H310 | F305-G308 PolarHBondContact O-N 3.26Å; L306-G308 VanDerWaalsContact C-N 3.25Å; L306-G308 PolarHBondContact O-N 3.39Å; G308-H310 PolarHBondContact O-CD2 3Å; G308-H310 PolarHBondContact O-N 3.19Å |
| 309 | K | 92.5 | Very high | 94.2 | Very high | 53 Ų | 53 | 41.5 Ų | 41.5 | 23% | 0.23 | 22% | 0.22 | C | C | . | . | trans | -84.3 | 66.8 | 178.4 | -67.5 | -175.2 | -175.9 | 176.3 | 0 | 111.2 | E257 Y283 I304 L307 E311 M312 A313 | E257-K309 IonicContact OE1-NZ 3.54Å; E257-K309 PolarHBondContact OE1-NZ 2.99Å; E257-K309 IonicContact OE2-NZ 3.54Å; E257-K309 PolarHBondContact OE2-NZ 3.47Å; Y283-K309 PolarHBondContact OH-NZ 3.26Å; I304-K309 HydrophobicContact CG2-CB 3.69Å; I304-K309 WeakPolarHBondContact CG2-O 3.49Å; I304-K309 PolarHBondContact O-N 3.13Å; L307-K309 VanDerWaalsContact C-N 3.29Å; L307-K309 HydrophobicContact CB-CG 4.46Å; L307-K309 PolarHBondContact O-N 3.41Å; K309-E311 PolarHBondContact O-N 3.49Å; K309-M312 HydrophobicContact CB-CB 4.39Å; K309-M312 PolarHBondContact O-N 2.79Å; K309-A313 PolarHBondContact O-N 3.3Å | ||
| 310 | H | 94.9 | Very high | 94.4 | Very high | 26 Ų | 26 | 39.7 Ų | 39.7 | 12% | 0.12 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.2 | -41.7 | -170 | -62.8 | -43.5 | 0 | 0 | 0 | 114 | F305 G308 A313 T314 I340 L344 | F305-H310 AromaticContact CD2-ND1 3.97Å; G308-H310 PolarHBondContact O-CD2 3Å; G308-H310 PolarHBondContact O-N 3.19Å; H310-A313 PolarHBondContact O-N 3.23Å; H310-T314 PolarHBondContact O-N 2.75Å; H310-T314 PolarHBondContact O-OG1 3.01Å; H310-T314 VanDerWaalsContact O-OG1 3.08Å; H310-I340 HydrophobicContact CB-CG2 3.82Å; H310-L344 HydrophobicContact CB-CD2 3.92Å; H310-L344 HydrophobicContact CB-CG 4.34Å |
| 311 | E | 93.6 | Very high | 94.4 | Very high | 170 Ų | 170 | 40.1 Ų | 40.1 | 79% | 0.794 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -63.6 | -45.2 | 179.7 | -64.7 | -174.3 | 169.6 | 0 | 0 | 112.6 | K309 T314 G315 | K309-E311 PolarHBondContact O-N 3.49Å; E311-T314 PolarHBondContact O-N 3.12Å; E311-G315 PolarHBondContact O-N 3.27Å |
| 312 | M | 94.4 | Very high | 94.4 | Very high | 55 Ų | 55 | 46.7 Ų | 46.7 | 27% | 0.271 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64 | -45.4 | 177.1 | -175.1 | -175.7 | -76.1 | 0 | 0 | 110.3 | L280 Y283 I304 K309 T314 G315 I316 | L280-M312 HydrophobicContact CD2-CE 4.39Å; Y283-M312 HydrophobicContact CD2-CE 3.96Å; Y283-M312 HydrophobicContact CD2-SD 4.37Å; Y283-M312 HydrophobicContact CE2-CE 4.47Å; Y283-M312 HydrophobicContact CG-CE 4.36Å; Y283-M312 HydrophobicContact CG-SD 4.3Å; I304-M312 HydrophobicContact CD1-SD 3.93Å; I304-M312 HydrophobicContact CG1-SD 4.17Å; I304-M312 HydrophobicContact CG2-CB 3.74Å; I304-M312 HydrophobicContact CG2-CG 3.78Å; I304-M312 HydrophobicContact CG2-SD 3.78Å; K309-M312 HydrophobicContact CB-CB 4.39Å; K309-M312 PolarHBondContact O-N 2.79Å; M312-T314 VanDerWaalsContact C-N 3.33Å; M312-T314 PolarHBondContact O-N 3.41Å; M312-G315 WeakPolarHBondContact O-CA 3.39Å; M312-G315 PolarHBondContact O-N 3.15Å; M312-G315 VanDerWaalsContact O-N 3.11Å; M312-I316 HydrophobicContact CG-CD1 4.25Å; M312-I316 WeakPolarHBondContact O-CG1 3.34Å; M312-I316 PolarHBondContact O-N 3.36Å |
| 313 | A | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.9 | -41.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I304 F305 K309 H310 G315 I316 C317 I340 | I304-A313 HydrophobicContact CB-CB 4.37Å; I304-A313 HydrophobicContact CG2-CB 3.98Å; F305-A313 HydrophobicContact CB-CB 4.08Å; K309-A313 PolarHBondContact O-N 3.3Å; H310-A313 PolarHBondContact O-N 3.23Å; A313-G315 VanDerWaalsContact C-N 3.35Å; A313-G315 PolarHBondContact O-N 3.43Å; A313-I316 PolarHBondContact O-N 3.06Å; A313-C317 PolarHBondContact O-N 3.21Å; A313-C317 PolarHBondContact O-SG 3.4Å; A313-I340 HydrophobicContact CB-CD1 3.58Å |
| 314 | T | 96.4 | Very high | 94.6 | Very high | 26 Ų | 26 | 46 Ų | 46 | 16% | 0.16 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 173.5 | -63.9 | 0 | 0 | 0 | 0 | 111.6 | H310 E311 M312 I316 C317 N318 R337 I340 | H310-T314 PolarHBondContact O-N 2.75Å; H310-T314 PolarHBondContact O-OG1 3.01Å; H310-T314 VanDerWaalsContact O-OG1 3.08Å; E311-T314 PolarHBondContact O-N 3.12Å; M312-T314 VanDerWaalsContact C-N 3.33Å; M312-T314 PolarHBondContact O-N 3.41Å; T314-I316 PolarHBondContact O-N 3.13Å; T314-C317 PolarHBondContact O-N 2.97Å; T314-N318 VanDerWaalsContact O-CG 3.23Å; T314-N318 PolarHBondContact O-N 3.36Å; T314-N318 PolarHBondContact O-ND2 3.19Å; T314-R337 HydrophobicContact CG2-CG 4.39Å; T314-I340 VanDerWaalsContact OG1-CG2 3.27Å; T314-I340 WeakPolarHBondContact OG1-CG2 3.47Å |
| 315 | G | 95.4 | Very high | 94.7 | Very high | 33 Ų | 33 | 49.7 Ų | 49.7 | 34% | 0.34 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.4 | -46.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E311 M312 A313 N318 M319 | E311-G315 PolarHBondContact O-N 3.27Å; M312-G315 WeakPolarHBondContact O-CA 3.39Å; M312-G315 PolarHBondContact O-N 3.15Å; M312-G315 VanDerWaalsContact O-N 3.11Å; A313-G315 VanDerWaalsContact C-N 3.35Å; A313-G315 PolarHBondContact O-N 3.43Å; G315-N318 WeakPolarHBondContact O-CB 3.33Å; G315-N318 PolarHBondContact O-N 2.88Å; G315-M319 WeakPolarHBondContact O-CG 3.11Å; G315-M319 PolarHBondContact O-N 3.27Å |
| 316 | I | 96.6 | Very high | 94.6 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 177.9 | -57.5 | 171 | 0 | 0 | 0 | 111 | L287 L297 L300 A301 I304 M312 A313 T314 N318 M319 A320 | L287-I316 HydrophobicContact CD1-CG1 4.48Å; L287-I316 HydrophobicContact CD2-CD1 3.88Å; L287-I316 HydrophobicContact CD2-CG1 3.66Å; L287-I316 HydrophobicContact CD2-CG2 4.2Å; L297-I316 HydrophobicContact CB-CG2 4.16Å; L297-I316 HydrophobicContact CD2-CG2 3.99Å; L297-I316 WeakPolarHBondContact O-CG2 3.43Å; L300-I316 HydrophobicContact CB-CD1 4.36Å; L300-I316 HydrophobicContact CB-CG2 4.38Å; A301-I316 HydrophobicContact CB-CB 4.06Å; A301-I316 HydrophobicContact CB-CG2 3.82Å; I304-I316 HydrophobicContact CB-CD1 4.29Å; I304-I316 HydrophobicContact CG1-CD1 3.88Å; M312-I316 HydrophobicContact CG-CD1 4.25Å; M312-I316 WeakPolarHBondContact O-CG1 3.34Å; M312-I316 PolarHBondContact O-N 3.36Å; A313-I316 PolarHBondContact O-N 3.06Å; T314-I316 PolarHBondContact O-N 3.13Å; I316-N318 VanDerWaalsContact C-N 3.3Å; I316-N318 PolarHBondContact O-N 2.88Å; I316-M319 WeakPolarHBondContact O-CB 3.24Å; I316-M319 PolarHBondContact O-N 2.61Å; I316-M319 VanDerWaalsContact O-N 3.15Å; I316-A320 PolarHBondContact O-N 2.9Å |
| 317 | C | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.2 | -40.9 | 175.4 | -65.3 | 0 | 0 | 0 | 0 | 111.5 | A313 T314 M319 A320 L321 R337 | A313-C317 PolarHBondContact O-N 3.21Å; A313-C317 PolarHBondContact O-SG 3.4Å; T314-C317 PolarHBondContact O-N 2.97Å; C317-M319 VanDerWaalsContact C-N 3.34Å; C317-A320 PolarHBondContact O-N 2.58Å; C317-L321 WeakPolarHBondContact O-CB 3.46Å; C317-L321 VanDerWaalsContact O-CG 3.28Å; C317-L321 WeakPolarHBondContact O-CG 3.48Å; C317-L321 PolarHBondContact O-N 3.33Å; C317-R337 HydrophobicContact CB-CB 3.99Å; C317-R337 HydrophobicContact CB-CG 4.47Å |
| 318 | N | 96.4 | Very high | 94.7 | Very high | 61 Ų | 61 | 52.8 Ų | 52.8 | 33% | 0.326 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 175.7 | -69.1 | -26.7 | 0 | 0 | 0 | 111.8 | T314 G315 I316 L321 N322 R337 | T314-N318 VanDerWaalsContact O-CG 3.23Å; T314-N318 PolarHBondContact O-N 3.36Å; T314-N318 PolarHBondContact O-ND2 3.19Å; G315-N318 WeakPolarHBondContact O-CB 3.33Å; G315-N318 PolarHBondContact O-N 2.88Å; I316-N318 VanDerWaalsContact C-N 3.3Å; I316-N318 PolarHBondContact O-N 2.88Å; N318-L321 PolarHBondContact O-N 3.02Å; N318-N322 WeakPolarHBondContact O-CB 3.26Å; N318-N322 PolarHBondContact O-N 2.8Å; N318-N322 PolarHBondContact O-ND2 2.89Å; N318-R337 VanDerWaalsContact OD1-CD 3.3Å; N318-R337 WeakPolarHBondContact OD1-CD 3.37Å; N318-R337 PolarHBondContact OD1-NH1 3.25Å |
| 319 | M | 96 | Very high | 94.7 | Very high | 69 Ų | 69 | 56.9 Ų | 56.9 | 34% | 0.34 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.9 | -48.6 | 173.3 | -68.1 | 174.4 | 66.1 | 0 | 0 | 111.2 | L297 G315 I316 C317 L321 N322 V323 | L297-M319 HydrophobicContact CD1-CB 4.3Å; L297-M319 HydrophobicContact CD2-CB 4.43Å; L297-M319 HydrophobicContact CD2-CE 4.37Å; G315-M319 WeakPolarHBondContact O-CG 3.11Å; G315-M319 PolarHBondContact O-N 3.27Å; I316-M319 WeakPolarHBondContact O-CB 3.24Å; I316-M319 PolarHBondContact O-N 2.61Å; I316-M319 VanDerWaalsContact O-N 3.15Å; C317-M319 VanDerWaalsContact C-N 3.34Å; M319-L321 VanDerWaalsContact C-N 3.3Å; M319-L321 PolarHBondContact O-N 3.21Å; M319-N322 WeakPolarHBondContact O-CB 3.42Å; M319-N322 PolarHBondContact O-N 3.15Å; M319-N322 VanDerWaalsContact O-N 3.13Å; M319-V323 WeakPolarHBondContact O-CG2 3.46Å; M319-V323 PolarHBondContact O-N 3.41Å; M319-V323 VanDerWaalsContact O-N 3.08Å |
| 320 | A | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.5 | -43.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L297 I316 C317 V323 L324 N330 A333 | L297-A320 HydrophobicContact CB-CB 3.84Å; L297-A320 HydrophobicContact CD1-CB 4.23Å; I316-A320 PolarHBondContact O-N 2.9Å; C317-A320 PolarHBondContact O-N 2.58Å; A320-V323 PolarHBondContact O-N 2.63Å; A320-L324 PolarHBondContact O-N 3.33Å; A320-N330 PolarHBondContact O-ND2 3.12Å; A320-N330 VanDerWaalsContact O-ND2 3.16Å; A320-A333 HydrophobicContact CB-CB 4.1Å |
| 321 | L | 96 | Very high | 94.5 | Very high | 13 Ų | 13 | 55.3 Ų | 55.3 | 7% | 0.068 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -71.9 | -27.5 | 179.1 | -69.4 | 172.4 | 0 | 0 | 0 | 113.6 | C317 N318 M319 V323 L324 P325 A333 Y334 R337 | C317-L321 WeakPolarHBondContact O-CB 3.46Å; C317-L321 VanDerWaalsContact O-CG 3.28Å; C317-L321 WeakPolarHBondContact O-CG 3.48Å; C317-L321 PolarHBondContact O-N 3.33Å; N318-L321 PolarHBondContact O-N 3.02Å; M319-L321 VanDerWaalsContact C-N 3.3Å; M319-L321 PolarHBondContact O-N 3.21Å; L321-V323 VanDerWaalsContact C-N 3.34Å; L321-L324 CarbonylContact O-C 3.45Å; L321-P325 WeakPolarHBondContact O-CA 3.29Å; L321-P325 WeakPolarHBondContact O-CB 3.47Å; L321-A333 HydrophobicContact CD1-CB 4.31Å; L321-A333 HydrophobicContact CD2-CB 3.75Å; L321-A333 HydrophobicContact CG-CB 3.72Å; L321-Y334 HydrophobicContact CD1-CD1 4.13Å; L321-Y334 HydrophobicContact CD1-CE1 4.1Å; L321-Y334 HydrophobicContact CD2-CD1 4.09Å; L321-Y334 HydrophobicContact CD2-CD2 3.6Å; L321-Y334 HydrophobicContact CD2-CE1 3.85Å; L321-Y334 HydrophobicContact CD2-CE2 3.32Å; L321-Y334 HydrophobicContact CD2-CG 3.99Å; L321-Y334 VanDerWaalsContact CD2-CZ 3.46Å; L321-R337 VanDerWaalsContact CD1-NH1 3.28Å |
| 322 | N | 95.8 | Very high | 94.4 | Very high | 137 Ų | 137 | 49.1 Ų | 49.1 | 73% | 0.733 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -70.2 | -34.3 | 172 | -71.8 | -22.3 | 0 | 0 | 0 | 111.5 | N318 M319 | N318-N322 WeakPolarHBondContact O-CB 3.26Å; N318-N322 PolarHBondContact O-N 2.8Å; N318-N322 PolarHBondContact O-ND2 2.89Å; M319-N322 WeakPolarHBondContact O-CB 3.42Å; M319-N322 PolarHBondContact O-N 3.15Å; M319-N322 VanDerWaalsContact O-N 3.13Å |
| 323 | V | 95.5 | Very high | 94.5 | Very high | 67 Ų | 67 | 46.5 Ų | 46.5 | 41% | 0.406 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -74.6 | -49.4 | 175.9 | 178.6 | 0 | 0 | 0 | 0 | 110.9 | S291 T294 L297 M319 A320 L321 | S291-V323 WeakPolarHBondContact O-CG2 3.41Å; T294-V323 HydrophobicContact CG2-CB 3.69Å; T294-V323 HydrophobicContact CG2-CG1 3.49Å; T294-V323 VanDerWaalsContact CG2-CG1 3.49Å; L297-V323 HydrophobicContact CD1-CG2 4.37Å; M319-V323 WeakPolarHBondContact O-CG2 3.46Å; M319-V323 PolarHBondContact O-N 3.41Å; M319-V323 VanDerWaalsContact O-N 3.08Å; A320-V323 PolarHBondContact O-N 2.63Å; L321-V323 VanDerWaalsContact C-N 3.34Å |
| 324 | L | 95.1 | Very high | 94.4 | Very high | 47 Ų | 47 | 46.7 Ų | 46.7 | 25% | 0.246 | 26% | 0.255 | C | S | . | . | trans | -133.4 | 97.8 | 178.7 | -174.1 | 59.1 | 0 | 0 | 0 | 110.8 | T294 A320 L321 D326 L329 N330 | T294-L324 HydrophobicContact CG2-CB 3.37Å; T294-L324 HydrophobicContact CG2-CD2 4.33Å; A320-L324 PolarHBondContact O-N 3.33Å; L321-L324 CarbonylContact O-C 3.45Å; L324-D326 VanDerWaalsContact C-N 3.3Å; L324-D326 HydrophobicContact CD1-CB 4.04Å; L324-D326 HydrophobicContact CG-CB 4.4Å; L324-D326 PolarHBondContact O-N 3.36Å; L324-L329 HydrophobicContact CD1-CD1 4.45Å; L324-L329 HydrophobicContact CD2-CB 3.67Å; L324-L329 HydrophobicContact CD2-CD1 4.41Å; L324-L329 HydrophobicContact CG-CB 4.36Å; L324-N330 HydrophobicContact CB-CB 4.37Å; L324-N330 HydrophobicContact CD2-CB 4.23Å; L324-N330 HydrophobicContact CG-CB 4.15Å; L324-N330 WeakPolarHBondContact O-CB 3.49Å; L324-N330 PolarHBondContact O-ND2 3.05Å | ||
| 325 | P | 94.9 | Very high | 94.3 | Very high | 78 Ų | 78 | 45.7 Ų | 45.7 | 51% | 0.506 | 25% | 0.249 | S | C | . | . | trans | -80.9 | -10 | -179 | 30.4 | -34.9 | 0 | 0 | 0 | 113.7 | L321 P327 Y334 | L321-P325 WeakPolarHBondContact O-CA 3.29Å; L321-P325 WeakPolarHBondContact O-CB 3.47Å; P325-P327 VanDerWaalsContact O-CD 3.3Å; P325-P327 WeakPolarHBondContact O-CD 3.49Å; P325-Y334 PolarHBondContact O-OH 2.8Å | ||
| 326 | D | 94.3 | Very high | 94.3 | Very high | 68 Ų | 68 | 45.1 Ų | 45.1 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | trans | -63.6 | 118 | -176.9 | -168.4 | -66.2 | 0 | 0 | 0 | 111.2 | L324 E328 L329 N330 | L324-D326 VanDerWaalsContact C-N 3.3Å; L324-D326 HydrophobicContact CD1-CB 4.04Å; L324-D326 HydrophobicContact CG-CB 4.4Å; L324-D326 PolarHBondContact O-N 3.36Å; D326-E328 VanDerWaalsContact C-N 3.3Å; D326-E328 PolarHBondContact O-N 2.69Å; D326-E328 WeakPolarHBondContact OD1-CA 3.35Å; D326-E328 WeakPolarHBondContact OD1-CB 3.37Å; D326-E328 PolarHBondContact OD1-N 3.27Å; D326-L329 HydrophobicContact CB-CB 4.47Å; D326-L329 PolarHBondContact O-N 3.39Å; D326-L329 PolarHBondContact OD1-N 3.22Å; D326-N330 WeakPolarHBondContact O-CB 3.17Å; D326-N330 PolarHBondContact O-N 2.95Å | ||
| 327 | P | 91.8 | Very high | 94.3 | Very high | 31 Ų | 31 | 47 Ų | 47 | 20% | 0.201 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -23.8 | -178.5 | -20.8 | 33 | 0 | 0 | 0 | 114.9 | P325 W331 Y334 R374 V378 | P325-P327 VanDerWaalsContact O-CD 3.3Å; P325-P327 WeakPolarHBondContact O-CD 3.49Å; P327-W331 WeakPolarHBondContact O-CA 3.32Å; P327-W331 WeakPolarHBondContact O-CB 3.46Å; P327-W331 PolarHBondContact O-N 3.49Å; P327-Y334 HydrophobicContact CB-CD2 4.36Å; P327-Y334 HydrophobicContact CB-CE2 4.06Å; P327-Y334 HydrophobicContact CG-CE2 4Å; P327-R374 HydrophobicContact CB-CB 4.26Å; P327-R374 HydrophobicContact CG-CB 4.03Å; P327-V378 HydrophobicContact CB-CG2 4.37Å |
| 328 | E | 89.8 | Confident | 94.2 | Very high | 135 Ų | 135 | 47.1 Ų | 47.1 | 63% | 0.631 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -43.6 | 178.3 | -166.3 | 167.8 | 174.1 | 0 | 0 | 110.6 | D326 V378 | D326-E328 VanDerWaalsContact C-N 3.3Å; D326-E328 PolarHBondContact O-N 2.69Å; D326-E328 WeakPolarHBondContact OD1-CA 3.35Å; D326-E328 WeakPolarHBondContact OD1-CB 3.37Å; D326-E328 PolarHBondContact OD1-N 3.27Å; E328-V378 HydrophobicContact CB-CG1 3.63Å; E328-V378 HydrophobicContact CG-CG1 3.58Å |
| 329 | L | 89.9 | Confident | 94.2 | Very high | 121 Ų | 121 | 47.7 Ų | 47.7 | 63% | 0.634 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -23.9 | -176 | -57.6 | 178.3 | 0 | 0 | 0 | 113.2 | L324 D326 | L324-L329 HydrophobicContact CD1-CD1 4.45Å; L324-L329 HydrophobicContact CD2-CB 3.67Å; L324-L329 HydrophobicContact CD2-CD1 4.41Å; L324-L329 HydrophobicContact CG-CB 4.36Å; D326-L329 HydrophobicContact CB-CB 4.47Å; D326-L329 PolarHBondContact O-N 3.39Å; D326-L329 PolarHBondContact OD1-N 3.22Å |
| 330 | N | 92.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | trans | -127.4 | 37 | -175.7 | -161.7 | 10.1 | 0 | 0 | 0 | 113.7 | N298 A320 L324 D326 Q332 A333 Y334 | N298-N330 PolarHBondContact ND2-OD1 2.99Å; A320-N330 PolarHBondContact O-ND2 3.12Å; A320-N330 VanDerWaalsContact O-ND2 3.16Å; L324-N330 HydrophobicContact CB-CB 4.37Å; L324-N330 HydrophobicContact CD2-CB 4.23Å; L324-N330 HydrophobicContact CG-CB 4.15Å; L324-N330 WeakPolarHBondContact O-CB 3.49Å; L324-N330 PolarHBondContact O-ND2 3.05Å; D326-N330 WeakPolarHBondContact O-CB 3.17Å; D326-N330 PolarHBondContact O-N 2.95Å; N330-Q332 PolarHBondContact O-N 3.17Å; N330-A333 PolarHBondContact O-N 2.94Å; N330-A333 WeakPolarHBondContact OD1-CB 3.43Å; N330-Y334 WeakPolarHBondContact O-CD2 3.26Å | ||
| 331 | W | 91.3 | Very high | 94.2 | Very high | 46 Ų | 46 | 44.9 Ų | 44.9 | 17% | 0.174 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.1 | -32.2 | 177.1 | 61.2 | -90 | 0 | 0 | 0 | 113 | A53 P327 A333 Y334 C335 V375 R379 | A53-W331 HydrophobicContact CB-CH2 4.47Å; P327-W331 WeakPolarHBondContact O-CA 3.32Å; P327-W331 WeakPolarHBondContact O-CB 3.46Å; P327-W331 PolarHBondContact O-N 3.49Å; W331-A333 PolarHBondContact O-N 3.17Å; W331-Y334 PolarHBondContact O-N 2.99Å; W331-C335 PolarHBondContact O-N 2.99Å; W331-C335 PolarHBondContact O-SG 3Å; W331-C335 VanDerWaalsContact O-SG 3.38Å; W331-V375 HydrophobicContact CB-CG1 4.02Å; W331-V375 HydrophobicContact CB-CG2 4.33Å; W331-R379 VanDerWaalsContact NE1-NH1 3.11Å |
| 332 | Q | 91.6 | Very high | 94.2 | Very high | 40 Ų | 40 | 44.5 Ų | 44.5 | 19% | 0.187 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.3 | -41.2 | -177.3 | -66.3 | -176 | 6.4 | 0 | 0 | 112.6 | N298 N330 T336 | N298-Q332 HydrophobicContact CB-CB 4.4Å; N330-Q332 PolarHBondContact O-N 3.17Å; Q332-T336 VanDerWaalsContact O-CB 3.29Å; Q332-T336 WeakPolarHBondContact O-CB 3.35Å; Q332-T336 PolarHBondContact O-N 3.41Å; Q332-T336 PolarHBondContact O-OG1 3.32Å |
| 333 | A | 94.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65 | -43.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | N298 A320 L321 N330 W331 R337 | N298-A333 WeakPolarHBondContact OD1-CB 3.43Å; N298-A333 PolarHBondContact OD1-N 3.12Å; A320-A333 HydrophobicContact CB-CB 4.1Å; L321-A333 HydrophobicContact CD1-CB 4.31Å; L321-A333 HydrophobicContact CD2-CB 3.75Å; L321-A333 HydrophobicContact CG-CB 3.72Å; N330-A333 PolarHBondContact O-N 2.94Å; N330-A333 WeakPolarHBondContact OD1-CB 3.43Å; W331-A333 PolarHBondContact O-N 3.17Å; A333-R337 VanDerWaalsContact O-CB 3.31Å; A333-R337 WeakPolarHBondContact O-CB 3.41Å; A333-R337 PolarHBondContact O-N 2.77Å |
| 334 | Y | 95.6 | Very high | 94 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.5 | -50.7 | 176.1 | -74.4 | -71.6 | 0 | 0 | 0 | 111.7 | L321 P325 P327 N330 W331 T336 R337 A338 D371 R374 V375 | L321-Y334 HydrophobicContact CD1-CD1 4.13Å; L321-Y334 HydrophobicContact CD1-CE1 4.1Å; L321-Y334 HydrophobicContact CD2-CD1 4.09Å; L321-Y334 HydrophobicContact CD2-CD2 3.6Å; L321-Y334 HydrophobicContact CD2-CE1 3.85Å; L321-Y334 HydrophobicContact CD2-CE2 3.32Å; L321-Y334 HydrophobicContact CD2-CG 3.99Å; L321-Y334 VanDerWaalsContact CD2-CZ 3.46Å; P325-Y334 PolarHBondContact O-OH 2.8Å; P327-Y334 HydrophobicContact CB-CD2 4.36Å; P327-Y334 HydrophobicContact CB-CE2 4.06Å; P327-Y334 HydrophobicContact CG-CE2 4Å; N330-Y334 WeakPolarHBondContact O-CD2 3.26Å; W331-Y334 PolarHBondContact O-N 2.99Å; Y334-T336 PolarHBondContact O-N 3.19Å; Y334-R337 PolarHBondContact O-N 3.01Å; Y334-A338 VanDerWaalsContact O-CB 3.31Å; Y334-A338 WeakPolarHBondContact O-CB 3.45Å; Y334-A338 PolarHBondContact O-N 3.2Å; Y334-D371 HydrophobicContact CD1-CB 3.96Å; Y334-D371 WeakPolarHBondContact CD1-OD1 3.2Å; Y334-R374 PolarHBondContact OH-NH1 2.95Å; Y334-V375 VanDerWaalsContact CB-CG2 3.45Å; Y334-V375 HydrophobicContact CD2-CG2 4.35Å; Y334-V375 HydrophobicContact CG-CG2 4.11Å |
| 335 | C | 93.9 | Very high | 93.9 | Very high | 5 Ų | 5 | 36.2 Ų | 36.2 | 3% | 0.034 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.6 | -42.3 | 179.1 | -65.3 | 0 | 0 | 0 | 0 | 112 | W331 A338 K339 | W331-C335 PolarHBondContact O-N 2.99Å; W331-C335 PolarHBondContact O-SG 3Å; W331-C335 VanDerWaalsContact O-SG 3.38Å; C335-A338 PolarHBondContact O-N 3.35Å; C335-K339 WeakPolarHBondContact O-CB 3.34Å; C335-K339 PolarHBondContact O-N 3.19Å |
| 336 | T | 94.4 | Very high | 93.8 | Very high | 20 Ų | 20 | 34 Ų | 34 | 12% | 0.123 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.6 | -45.4 | 179.4 | -56.4 | 0 | 0 | 0 | 0 | 111 | F305 Q332 Y334 K339 I340 | F305-T336 HydrophobicContact CB-CG2 4.41Å; F305-T336 HydrophobicContact CG-CG2 4.47Å; Q332-T336 VanDerWaalsContact O-CB 3.29Å; Q332-T336 WeakPolarHBondContact O-CB 3.35Å; Q332-T336 PolarHBondContact O-N 3.41Å; Q332-T336 PolarHBondContact O-OG1 3.32Å; Y334-T336 PolarHBondContact O-N 3.19Å; T336-K339 PolarHBondContact O-N 3.37Å; T336-I340 HydrophobicContact CG2-CD1 4.04Å; T336-I340 WeakPolarHBondContact O-CD1 3.44Å; T336-I340 VanDerWaalsContact O-CG1 3.27Å; T336-I340 WeakPolarHBondContact O-CG1 3.45Å; T336-I340 PolarHBondContact O-N 2.91Å |
| 337 | R | 96.6 | Very high | 93.6 | Very high | 45 Ų | 45 | 32.3 Ų | 32.3 | 17% | 0.17 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65 | -42.6 | 177.3 | -168.7 | 172.1 | 68.8 | -175.5 | -2 | 112.3 | T314 C317 N318 L321 A333 Y334 K339 I340 N341 D371 | T314-R337 HydrophobicContact CG2-CG 4.39Å; C317-R337 HydrophobicContact CB-CB 3.99Å; C317-R337 HydrophobicContact CB-CG 4.47Å; N318-R337 VanDerWaalsContact OD1-CD 3.3Å; N318-R337 WeakPolarHBondContact OD1-CD 3.37Å; N318-R337 PolarHBondContact OD1-NH1 3.25Å; L321-R337 VanDerWaalsContact CD1-NH1 3.28Å; A333-R337 VanDerWaalsContact O-CB 3.31Å; A333-R337 WeakPolarHBondContact O-CB 3.41Å; A333-R337 PolarHBondContact O-N 2.77Å; Y334-R337 PolarHBondContact O-N 3.01Å; R337-K339 PolarHBondContact O-N 3.37Å; R337-I340 PolarHBondContact O-N 3.3Å; R337-N341 PolarHBondContact O-N 3.48Å; R337-D371 IonicContact CZ-OD1 2.79Å; R337-D371 IonicContact CZ-OD2 3.35Å; R337-D371 VanDerWaalsContact CZ-OD2 3.28Å; R337-D371 IonicContact NE-OD1 3.71Å; R337-D371 IonicContact NE-OD2 3.76Å; R337-D371 PolarHBondContact NE-OD2 2.87Å; R337-D371 IonicContact NH2-OD1 3.67Å; R337-D371 PolarHBondContact NH2-OD1 2.78Å; R337-D371 IonicContact NH2-OD2 3.84Å; R337-D371 PolarHBondContact NH2-OD2 3.4Å |
| 338 | A | 96.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.5 | -47.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y334 C335 I340 N341 V342 A368 D371 L372 | Y334-A338 VanDerWaalsContact O-CB 3.31Å; Y334-A338 WeakPolarHBondContact O-CB 3.45Å; Y334-A338 PolarHBondContact O-N 3.2Å; C335-A338 PolarHBondContact O-N 3.35Å; A338-I340 VanDerWaalsContact C-N 3.35Å; A338-I340 PolarHBondContact O-N 3.27Å; A338-N341 PolarHBondContact O-N 3.44Å; A338-V342 WeakPolarHBondContact O-CG2 3.16Å; A338-V342 PolarHBondContact O-N 2.94Å; A338-A368 HydrophobicContact CB-CB 4.19Å; A338-D371 HydrophobicContact CB-CB 4.08Å; A338-L372 HydrophobicContact CB-CD1 4.24Å; A338-L372 HydrophobicContact CB-CD2 3.95Å; A338-L372 HydrophobicContact CB-CG 3.72Å |
| 339 | K | 95.6 | Very high | 93.5 | Very high | 74 Ų | 74 | 27.3 Ų | 27.3 | 32% | 0.322 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -61.2 | -41.4 | 177.2 | -173.8 | 168.9 | -173.9 | 169.4 | 0 | 112.3 | F305 C335 T336 R337 V342 I343 | F305-K339 HydrophobicContact CE1-CD 4.37Å; F305-K339 HydrophobicContact CZ-CD 3.91Å; F305-K339 HydrophobicContact CZ-CG 4.07Å; C335-K339 WeakPolarHBondContact O-CB 3.34Å; C335-K339 PolarHBondContact O-N 3.19Å; T336-K339 PolarHBondContact O-N 3.37Å; R337-K339 PolarHBondContact O-N 3.37Å; K339-V342 PolarHBondContact O-N 3.24Å; K339-I343 HydrophobicContact CG-CD1 3.97Å; K339-I343 WeakPolarHBondContact O-CG1 3.32Å; K339-I343 PolarHBondContact O-N 3.39Å |
| 340 | I | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.5 | -47.6 | 174.9 | -69.6 | 161.8 | 0 | 0 | 0 | 110.8 | F305 H310 A313 T314 T336 R337 A338 V342 I343 L344 | F305-I340 HydrophobicContact CD2-CD1 3.95Å; F305-I340 HydrophobicContact CD2-CG1 3.41Å; F305-I340 VanDerWaalsContact CD2-CG1 3.41Å; F305-I340 HydrophobicContact CE2-CG1 3.67Å; H310-I340 HydrophobicContact CB-CG2 3.82Å; A313-I340 HydrophobicContact CB-CD1 3.58Å; T314-I340 VanDerWaalsContact OG1-CG2 3.27Å; T314-I340 WeakPolarHBondContact OG1-CG2 3.47Å; T336-I340 HydrophobicContact CG2-CD1 4.04Å; T336-I340 WeakPolarHBondContact O-CD1 3.44Å; T336-I340 VanDerWaalsContact O-CG1 3.27Å; T336-I340 WeakPolarHBondContact O-CG1 3.45Å; T336-I340 PolarHBondContact O-N 2.91Å; R337-I340 PolarHBondContact O-N 3.3Å; A338-I340 VanDerWaalsContact C-N 3.35Å; A338-I340 PolarHBondContact O-N 3.27Å; I340-V342 VanDerWaalsContact C-N 3.31Å; I340-V342 PolarHBondContact O-N 2.83Å; I340-I343 PolarHBondContact O-N 3.46Å; I340-I343 VanDerWaalsContact O-N 3.16Å; I340-L344 HydrophobicContact CG2-CD1 3.81Å; I340-L344 HydrophobicContact CG2-CG 4.12Å; I340-L344 WeakPolarHBondContact O-CG 3.31Å; I340-L344 PolarHBondContact O-N 3.27Å |
| 341 | N | 96.8 | Very high | 93.2 | Very high | 9 Ų | 9 | 28 Ų | 28 | 5% | 0.048 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.6 | -40 | -180 | -84 | -13.1 | 0 | 0 | 0 | 112.4 | R337 A338 Y345 K364 E367 A368 | R337-N341 PolarHBondContact O-N 3.48Å; A338-N341 PolarHBondContact O-N 3.44Å; N341-Y345 WeakPolarHBondContact O-CB 3.3Å; N341-Y345 PolarHBondContact O-N 3.04Å; N341-K364 HydrophobicContact CB-CB 4.34Å; N341-E367 WeakPolarHBondContact ND2-CB 3.45Å; N341-E367 PolarHBondContact ND2-OE2 3.43Å; N341-A368 HydrophobicContact CB-CB 4.02Å |
| 342 | V | 95.2 | Very high | 93 | Very high | 6 Ų | 6 | 26.5 Ų | 26.5 | 4% | 0.036 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.3 | -46.9 | 173.2 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | A338 K339 I340 L344 Y345 V346 A368 Q390 V391 | A338-V342 WeakPolarHBondContact O-CG2 3.16Å; A338-V342 PolarHBondContact O-N 2.94Å; K339-V342 PolarHBondContact O-N 3.24Å; I340-V342 VanDerWaalsContact C-N 3.31Å; I340-V342 PolarHBondContact O-N 2.83Å; V342-L344 VanDerWaalsContact C-N 3.35Å; V342-L344 PolarHBondContact O-N 2.92Å; V342-Y345 WeakPolarHBondContact O-CB 3.32Å; V342-Y345 PolarHBondContact O-N 2.93Å; V342-V346 HydrophobicContact CG1-CG2 4.32Å; V342-V346 WeakPolarHBondContact O-CG2 3.43Å; V342-V346 PolarHBondContact O-N 3.27Å; V342-A368 HydrophobicContact CG2-CB 3.95Å; V342-Q390 HydrophobicContact CG1-CG 4.14Å; V342-V391 HydrophobicContact CG2-CG2 3.47Å; V342-V391 VanDerWaalsContact CG2-CG2 3.47Å |
| 343 | I | 93.8 | Very high | 92.6 | Very high | 35 Ų | 35 | 28.9 Ų | 28.9 | 18% | 0.179 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.1 | -43.5 | 178.9 | -72.5 | 164.9 | 0 | 0 | 0 | 111.5 | F305 K339 I340 V346 N347 | F305-I343 HydrophobicContact CE2-CD1 3.68Å; F305-I343 HydrophobicContact CZ-CD1 3.67Å; K339-I343 HydrophobicContact CG-CD1 3.97Å; K339-I343 WeakPolarHBondContact O-CG1 3.32Å; K339-I343 PolarHBondContact O-N 3.39Å; I340-I343 PolarHBondContact O-N 3.46Å; I340-I343 VanDerWaalsContact O-N 3.16Å; I343-V346 PolarHBondContact O-N 2.98Å; I343-N347 WeakPolarHBondContact CG2-ND2 3.45Å; I343-N347 WeakPolarHBondContact O-CB 3.5Å; I343-N347 PolarHBondContact O-N 3.47Å; I343-N347 PolarHBondContact O-ND2 3.04Å |
| 344 | L | 93.4 | Very high | 92 | Very high | 42 Ų | 42 | 34.8 Ų | 34.8 | 22% | 0.22 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.6 | -43.5 | 176.8 | -70.1 | 177.3 | 0 | 0 | 0 | 111.2 | H310 I340 V342 N347 E348 K364 | H310-L344 HydrophobicContact CB-CD2 3.92Å; H310-L344 HydrophobicContact CB-CG 4.34Å; I340-L344 HydrophobicContact CG2-CD1 3.81Å; I340-L344 HydrophobicContact CG2-CG 4.12Å; I340-L344 WeakPolarHBondContact O-CG 3.31Å; I340-L344 PolarHBondContact O-N 3.27Å; V342-L344 VanDerWaalsContact C-N 3.35Å; V342-L344 PolarHBondContact O-N 2.92Å; L344-N347 PolarHBondContact O-N 2.94Å; L344-E348 WeakPolarHBondContact O-CG 3.45Å; L344-E348 PolarHBondContact O-N 3.38Å; L344-K364 HydrophobicContact CB-CD 3.92Å |
| 345 | Y | 93.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.4 | -48 | 175.1 | 177.7 | -92.7 | 0 | 0 | 0 | 112.2 | N341 V342 N347 E348 L349 P360 D361 R362 L365 Y394 | N341-Y345 WeakPolarHBondContact O-CB 3.3Å; N341-Y345 PolarHBondContact O-N 3.04Å; V342-Y345 WeakPolarHBondContact O-CB 3.32Å; V342-Y345 PolarHBondContact O-N 2.93Å; Y345-N347 VanDerWaalsContact C-N 3.32Å; Y345-N347 PolarHBondContact O-N 3.41Å; Y345-E348 WeakPolarHBondContact O-CB 3.49Å; Y345-E348 PolarHBondContact O-N 2.92Å; Y345-L349 HydrophobicContact CE1-CD2 4.38Å; Y345-L349 WeakPolarHBondContact O-CB 3.43Å; Y345-L349 PolarHBondContact O-N 2.85Å; Y345-P360 HydrophobicContact CD2-CB 3.96Å; Y345-P360 HydrophobicContact CE2-CB 3.63Å; Y345-P360 HydrophobicContact CE2-CG 3.88Å; Y345-D361 WeakPolarHBondContact CD2-O 3.3Å; Y345-R362 HydrophobicContact CE2-CG 4.4Å; Y345-L365 HydrophobicContact CD1-CD1 4.07Å; Y345-L365 HydrophobicContact CD1-CD2 3.78Å; Y345-L365 HydrophobicContact CD1-CG 4.04Å; Y345-L365 HydrophobicContact CD2-CD1 4.04Å; Y345-L365 HydrophobicContact CD2-CD2 4.35Å; Y345-L365 HydrophobicContact CD2-CG 3.81Å; Y345-L365 HydrophobicContact CE1-CD1 3.77Å; Y345-L365 HydrophobicContact CE1-CD2 4.29Å; Y345-L365 HydrophobicContact CE1-CG 4.26Å; Y345-L365 HydrophobicContact CE2-CD1 3.72Å; Y345-L365 HydrophobicContact CE2-CG 4.02Å; Y345-L365 HydrophobicContact CG-CD1 4.2Å; Y345-L365 HydrophobicContact CG-CD2 3.83Å; Y345-L365 HydrophobicContact CG-CG 3.81Å; Y345-Y394 HydrophobicContact CD1-CG 4.28Å; Y345-Y394 HydrophobicContact CE1-CD1 4Å; Y345-Y394 AromaticContact CE1-CG 3.96Å; Y345-Y394 HydrophobicContact CE1-CG 3.96Å |
| 346 | V | 91.4 | Very high | 90.8 | Very high | 31 Ų | 31 | 42.6 Ų | 42.6 | 19% | 0.188 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.2 | -39.4 | 179.5 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | V342 I343 E348 L349 E350 Y394 | V342-V346 HydrophobicContact CG1-CG2 4.32Å; V342-V346 WeakPolarHBondContact O-CG2 3.43Å; V342-V346 PolarHBondContact O-N 3.27Å; I343-V346 PolarHBondContact O-N 2.98Å; V346-E348 PolarHBondContact O-N 3.29Å; V346-L349 WeakPolarHBondContact O-CB 3.44Å; V346-L349 PolarHBondContact O-N 3.15Å; V346-E350 HydrophobicContact CG1-CG 4.49Å; V346-E350 WeakPolarHBondContact O-CG 3.48Å; V346-E350 PolarHBondContact O-N 3.47Å; V346-Y394 HydrophobicContact CG2-CD2 4.16Å; V346-Y394 HydrophobicContact CG2-CE1 4.3Å; V346-Y394 HydrophobicContact CG2-CE2 3.43Å; V346-Y394 VanDerWaalsContact CG2-CE2 3.43Å |
| 347 | N | 90.6 | Very high | 90 | Very high | 32 Ų | 32 | 45.1 Ų | 45.1 | 17% | 0.171 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.3 | -42 | 174.2 | -79.2 | -46.8 | 0 | 0 | 0 | 112.3 | I343 L344 Y345 L349 N351 R563 | I343-N347 WeakPolarHBondContact CG2-ND2 3.45Å; I343-N347 WeakPolarHBondContact O-CB 3.5Å; I343-N347 PolarHBondContact O-N 3.47Å; I343-N347 PolarHBondContact O-ND2 3.04Å; L344-N347 PolarHBondContact O-N 2.94Å; Y345-N347 VanDerWaalsContact C-N 3.32Å; Y345-N347 PolarHBondContact O-N 3.41Å; N347-L349 VanDerWaalsContact C-N 3.35Å; N347-N351 WeakPolarHBondContact O-CB 3.41Å; N347-N351 PolarHBondContact O-N 3Å; N347-N351 PolarHBondContact O-ND2 3.03Å; N347-R563 PolarHBondContact OD1-NH1 3.03Å; N347-R563 PolarHBondContact OD1-NH2 3.31Å |
| 348 | E | 90.9 | Very high | 89.4 | Confident | 61 Ų | 61 | 45.8 Ų | 45.8 | 29% | 0.285 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 174.7 | -72.4 | 173.3 | -179.1 | 0 | 0 | 111.6 | L344 Y345 V346 N351 A352 P360 D361 K364 | L344-E348 WeakPolarHBondContact O-CG 3.45Å; L344-E348 PolarHBondContact O-N 3.38Å; Y345-E348 WeakPolarHBondContact O-CB 3.49Å; Y345-E348 PolarHBondContact O-N 2.92Å; V346-E348 PolarHBondContact O-N 3.29Å; E348-N351 PolarHBondContact O-N 3.37Å; E348-A352 WeakPolarHBondContact O-CB 3.35Å; E348-A352 PolarHBondContact O-N 2.9Å; E348-P360 HydrophobicContact CB-CB 3.74Å; E348-D361 PolarHBondContact OE2-N 2.87Å; E348-K364 VanDerWaalsContact CD-NZ 3.27Å; E348-K364 WeakPolarHBondContact OE1-CE 3.4Å; E348-K364 IonicContact OE1-NZ 3.07Å; E348-K364 PolarHBondContact OE1-NZ 2.77Å; E348-K364 IonicContact OE2-NZ 3.43Å; E348-K364 PolarHBondContact OE2-NZ 3.35Å; E348-K364 VanDerWaalsContact OE2-NZ 3.07Å |
| 349 | L | 89 | Confident | 88.8 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.2 | -48.1 | 176.6 | 176.7 | 67.1 | 0 | 0 | 0 | 111.6 | Y345 V346 N347 N351 A352 K353 P360 Y394 A399 E402 | Y345-L349 HydrophobicContact CE1-CD2 4.38Å; Y345-L349 WeakPolarHBondContact O-CB 3.43Å; Y345-L349 PolarHBondContact O-N 2.85Å; V346-L349 WeakPolarHBondContact O-CB 3.44Å; V346-L349 PolarHBondContact O-N 3.15Å; N347-L349 VanDerWaalsContact C-N 3.35Å; L349-N351 VanDerWaalsContact C-N 3.33Å; L349-N351 PolarHBondContact O-N 3.08Å; L349-A352 WeakPolarHBondContact O-CB 3.18Å; L349-A352 PolarHBondContact O-N 3.45Å; L349-K353 WeakPolarHBondContact O-CG 3.45Å; L349-K353 PolarHBondContact O-N 3.37Å; L349-P360 HydrophobicContact CB-CB 4.39Å; L349-P360 HydrophobicContact CB-CG 4.31Å; L349-P360 HydrophobicContact CD1-CG 4.16Å; L349-Y394 HydrophobicContact CD2-CD1 4.12Å; L349-Y394 HydrophobicContact CD2-CE1 3.81Å; L349-A399 WeakPolarHBondContact CD1-O 3.38Å; L349-E402 HydrophobicContact CD2-CG 4.21Å |
| 350 | E | 88.1 | Confident | 88.5 | Confident | 75 Ų | 75 | 46.2 Ų | 46.2 | 35% | 0.35 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 177.2 | -71.7 | -55.8 | 142.3 | 0 | 0 | 112.1 | V346 A352 K353 L354 | V346-E350 HydrophobicContact CG1-CG 4.49Å; V346-E350 WeakPolarHBondContact O-CG 3.48Å; V346-E350 PolarHBondContact O-N 3.47Å; E350-A352 VanDerWaalsContact C-N 3.34Å; E350-A352 PolarHBondContact O-N 3.4Å; E350-K353 PolarHBondContact O-N 3.29Å; E350-K353 IonicContact OE1-NZ 3.62Å; E350-K353 PolarHBondContact OE1-NZ 3.12Å; E350-K353 IonicContact OE2-NZ 2.99Å; E350-L354 WeakPolarHBondContact O-CG 3.44Å; E350-L354 PolarHBondContact O-N 2.91Å; E350-L354 VanDerWaalsContact O-N 3.17Å |
| 351 | N | 87.6 | Confident | 88.2 | Confident | 62 Ų | 62 | 49.6 Ų | 49.6 | 33% | 0.332 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 174.1 | -72.1 | -21.8 | 0 | 0 | 0 | 111.3 | N347 E348 L349 K353 L354 G355 I356 | N347-N351 WeakPolarHBondContact O-CB 3.41Å; N347-N351 PolarHBondContact O-N 3Å; N347-N351 PolarHBondContact O-ND2 3.03Å; E348-N351 PolarHBondContact O-N 3.37Å; L349-N351 VanDerWaalsContact C-N 3.33Å; L349-N351 PolarHBondContact O-N 3.08Å; N351-K353 PolarHBondContact O-N 3.45Å; N351-L354 CarbonylContact O-C 3.54Å; N351-L354 WeakPolarHBondContact O-CB 3.41Å; N351-L354 PolarHBondContact O-N 3.03Å; N351-L354 VanDerWaalsContact O-N 3.13Å; N351-G355 PolarHBondContact O-N 3.03Å; N351-I356 CarbonylContact C-O 3.1Å; N351-I356 HydrophobicContact CB-CB 4.49Å; N351-I356 VanDerWaalsContact CB-O 3.29Å; N351-I356 WeakPolarHBondContact CB-O 3.37Å; N351-I356 CarbonylContact O-C 3.56Å; N351-I356 WeakPolarHBondContact O-CA 3.49Å; N351-I356 PolarHBondContact O-N 3.48Å |
| 352 | A | 86.6 | Confident | 87.9 | Confident | 15 Ų | 15 | 53.8 Ų | 53.8 | 12% | 0.124 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E348 L349 E350 L354 G355 L400 | E348-A352 WeakPolarHBondContact O-CB 3.35Å; E348-A352 PolarHBondContact O-N 2.9Å; L349-A352 WeakPolarHBondContact O-CB 3.18Å; L349-A352 PolarHBondContact O-N 3.45Å; E350-A352 VanDerWaalsContact C-N 3.34Å; E350-A352 PolarHBondContact O-N 3.4Å; A352-L354 PolarHBondContact O-N 3.23Å; A352-G355 WeakPolarHBondContact O-CA 3.4Å; A352-G355 PolarHBondContact O-N 3.49Å; A352-L400 HydrophobicContact CB-CD2 4.09Å |
| 353 | K | 83.4 | Confident | 87.8 | Confident | 89 Ų | 89 | 58.7 Ų | 58.7 | 39% | 0.387 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.7 | -33.3 | 173.7 | -70.1 | 175.1 | -172.7 | 169.4 | 0 | 112.8 | L349 E350 N351 G355 E402 | L349-K353 WeakPolarHBondContact O-CG 3.45Å; L349-K353 PolarHBondContact O-N 3.37Å; E350-K353 PolarHBondContact O-N 3.29Å; E350-K353 IonicContact OE1-NZ 3.62Å; E350-K353 PolarHBondContact OE1-NZ 3.12Å; E350-K353 IonicContact OE2-NZ 2.99Å; N351-K353 PolarHBondContact O-N 3.45Å; K353-G355 PolarHBondContact O-N 3.22Å; K353-E402 WeakPolarHBondContact CE-OE1 3.19Å; K353-E402 IonicContact NZ-OE1 3.22Å; K353-E402 PolarHBondContact NZ-OE1 2.98Å |
| 354 | L | 83.6 | Confident | 87.9 | Confident | 124 Ų | 124 | 58.6 Ų | 58.6 | 65% | 0.649 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -0.4 | 174.7 | -64.9 | 172.7 | 0 | 0 | 0 | 113.2 | E350 N351 A352 I356 | E350-L354 WeakPolarHBondContact O-CG 3.44Å; E350-L354 PolarHBondContact O-N 2.91Å; E350-L354 VanDerWaalsContact O-N 3.17Å; N351-L354 CarbonylContact O-C 3.54Å; N351-L354 WeakPolarHBondContact O-CB 3.41Å; N351-L354 PolarHBondContact O-N 3.03Å; N351-L354 VanDerWaalsContact O-N 3.13Å; A352-L354 PolarHBondContact O-N 3.23Å; L354-I356 HydrophobicContact CB-CD1 4.05Å; L354-I356 HydrophobicContact CB-CG1 4.11Å; L354-I356 PolarHBondContact O-N 3.49Å |
| 355 | G | 82.4 | Confident | 87.9 | Confident | 67 Ų | 67 | 56.7 Ų | 56.7 | 69% | 0.691 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 16.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N351 A352 K353 | N351-G355 PolarHBondContact O-N 3.03Å; A352-G355 WeakPolarHBondContact O-CA 3.4Å; A352-G355 PolarHBondContact O-N 3.49Å; K353-G355 PolarHBondContact O-N 3.22Å |
| 356 | I | 80.5 | Confident | 88.1 | Confident | 107 Ų | 107 | 58.7 Ų | 58.7 | 55% | 0.549 | 36% | 0.358 | S | S | . | . | trans | -102 | 106.5 | -179.5 | -57.2 | 173.9 | 0 | 0 | 0 | 107.8 | N351 L354 | N351-I356 CarbonylContact C-O 3.1Å; N351-I356 HydrophobicContact CB-CB 4.49Å; N351-I356 VanDerWaalsContact CB-O 3.29Å; N351-I356 WeakPolarHBondContact CB-O 3.37Å; N351-I356 CarbonylContact O-C 3.56Å; N351-I356 WeakPolarHBondContact O-CA 3.49Å; N351-I356 PolarHBondContact O-N 3.48Å; L354-I356 HydrophobicContact CB-CD1 4.05Å; L354-I356 HydrophobicContact CB-CG1 4.11Å; L354-I356 PolarHBondContact O-N 3.49Å | ||
| 357 | G | 79 | Confident | 88.3 | Confident | 72 Ų | 72 | 61.2 Ų | 61.2 | 74% | 0.742 | 37% | 0.368 | S | S | * | . | S | Bend | trans | 95.5 | -170.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 358 | G | 82.5 | Confident | 88.6 | Confident | 59 Ų | 59 | 59.7 Ų | 59.7 | 61% | 0.608 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -93.1 | -177.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 359 | A | 83.5 | Confident | 88.9 | Confident | 77 Ų | 77 | 61 Ų | 61 | 64% | 0.636 | 36% | 0.362 | S | S | * | . | trans | -60.3 | 142.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 360 | P | 89.7 | Confident | 89.3 | Confident | 7 Ų | 7 | 66.8 Ų | 66.8 | 5% | 0.045 | 39% | 0.387 | C | S | . | . | trans | -67.8 | 145.6 | -177.6 | 30.1 | -36.7 | 0 | 0 | 0 | 111.2 | Y345 E348 L349 R362 A399 | Y345-P360 HydrophobicContact CD2-CB 3.96Å; Y345-P360 HydrophobicContact CE2-CB 3.63Å; Y345-P360 HydrophobicContact CE2-CG 3.88Å; E348-P360 HydrophobicContact CB-CB 3.74Å; L349-P360 HydrophobicContact CB-CB 4.39Å; L349-P360 HydrophobicContact CB-CG 4.31Å; L349-P360 HydrophobicContact CD1-CG 4.16Å; P360-R362 PolarHBondContact O-N 3.11Å; P360-A399 WeakPolarHBondContact CD-O 3.44Å; P360-A399 HydrophobicContact CG-CB 3.86Å; P360-A399 WeakPolarHBondContact CG-O 3.38Å | ||
| 361 | D | 89.6 | Confident | 89.6 | Confident | 71 Ų | 71 | 63.4 Ų | 63.4 | 38% | 0.38 | 37% | 0.371 | S | S | . | . | trans | -80.1 | 105.5 | -173.5 | 177.8 | 14 | 0 | 0 | 0 | 111.8 | Y345 E348 Q363 K364 | Y345-D361 WeakPolarHBondContact CD2-O 3.3Å; E348-D361 PolarHBondContact OE2-N 2.87Å; D361-Q363 PolarHBondContact O-N 3.48Å; D361-Q363 VanDerWaalsContact O-N 3.16Å; D361-Q363 WeakPolarHBondContact OD1-CB 3.34Å; D361-Q363 PolarHBondContact OD1-N 2.9Å; D361-K364 HydrophobicContact CB-CG 4.36Å; D361-K364 VanDerWaalsContact CB-NZ 3.25Å; D361-K364 PolarHBondContact O-N 2.81Å; D361-K364 IonicContact OD2-NZ 2.95Å; D361-K364 PolarHBondContact OD2-NZ 3.26Å | ||
| 362 | R | 91.2 | Very high | 90 | Very high | 98 Ų | 98 | 60.4 Ų | 60.4 | 37% | 0.37 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.1 | -16.6 | 178.5 | -68.8 | -170 | 172.8 | -130 | -9.4 | 113.4 | Y345 P360 K364 L365 A366 V397 | Y345-R362 HydrophobicContact CE2-CG 4.4Å; P360-R362 PolarHBondContact O-N 3.11Å; R362-K364 PolarHBondContact O-N 3.28Å; R362-L365 PolarHBondContact O-N 2.79Å; R362-A366 PolarHBondContact O-N 3.41Å; R362-V397 PolarHBondContact NH2-O 2.96Å |
| 363 | Q | 93.9 | Very high | 90.5 | Very high | 108 Ų | 108 | 62.9 Ų | 62.9 | 51% | 0.505 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.9 | -34.3 | 175.6 | -175.4 | 60.5 | 21.5 | 0 | 0 | 111.5 | D361 L365 A366 E367 | D361-Q363 PolarHBondContact O-N 3.48Å; D361-Q363 VanDerWaalsContact O-N 3.16Å; D361-Q363 WeakPolarHBondContact OD1-CB 3.34Å; D361-Q363 PolarHBondContact OD1-N 2.9Å; Q363-L365 VanDerWaalsContact C-N 3.31Å; Q363-L365 PolarHBondContact O-N 2.8Å; Q363-A366 WeakPolarHBondContact O-CB 3.27Å; Q363-A366 PolarHBondContact O-N 2.93Å; Q363-A366 VanDerWaalsContact O-N 3.12Å; Q363-E367 WeakPolarHBondContact O-CG 3.31Å; Q363-E367 PolarHBondContact O-N 3.29Å |
| 364 | K | 94.3 | Very high | 91 | Very high | 33 Ų | 33 | 63.4 Ų | 63.4 | 14% | 0.143 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.9 | -40.9 | 176.6 | -62.4 | -175.8 | 177.6 | 74.8 | 0 | 112 | N341 L344 E348 D361 R362 E367 A368 | N341-K364 HydrophobicContact CB-CB 4.34Å; L344-K364 HydrophobicContact CB-CD 3.92Å; E348-K364 VanDerWaalsContact CD-NZ 3.27Å; E348-K364 WeakPolarHBondContact OE1-CE 3.4Å; E348-K364 IonicContact OE1-NZ 3.07Å; E348-K364 PolarHBondContact OE1-NZ 2.77Å; E348-K364 IonicContact OE2-NZ 3.43Å; E348-K364 PolarHBondContact OE2-NZ 3.35Å; E348-K364 VanDerWaalsContact OE2-NZ 3.07Å; D361-K364 HydrophobicContact CB-CG 4.36Å; D361-K364 VanDerWaalsContact CB-NZ 3.25Å; D361-K364 PolarHBondContact O-N 2.81Å; D361-K364 IonicContact OD2-NZ 2.95Å; D361-K364 PolarHBondContact OD2-NZ 3.26Å; R362-K364 PolarHBondContact O-N 3.28Å; K364-E367 PolarHBondContact O-N 3.22Å; K364-A368 WeakPolarHBondContact O-CB 3.43Å; K364-A368 PolarHBondContact O-N 2.91Å |
| 365 | L | 95.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.9 | -39.4 | 175.3 | -65.1 | 178.2 | 0 | 0 | 0 | 111.9 | Y345 R362 Q363 E367 A368 R369 M395 | Y345-L365 HydrophobicContact CD1-CD1 4.07Å; Y345-L365 HydrophobicContact CD1-CD2 3.78Å; Y345-L365 HydrophobicContact CD1-CG 4.04Å; Y345-L365 HydrophobicContact CD2-CD1 4.04Å; Y345-L365 HydrophobicContact CD2-CD2 4.35Å; Y345-L365 HydrophobicContact CD2-CG 3.81Å; Y345-L365 HydrophobicContact CE1-CD1 3.77Å; Y345-L365 HydrophobicContact CE1-CD2 4.29Å; Y345-L365 HydrophobicContact CE1-CG 4.26Å; Y345-L365 HydrophobicContact CE2-CD1 3.72Å; Y345-L365 HydrophobicContact CE2-CG 4.02Å; Y345-L365 HydrophobicContact CG-CD1 4.2Å; Y345-L365 HydrophobicContact CG-CD2 3.83Å; Y345-L365 HydrophobicContact CG-CG 3.81Å; R362-L365 PolarHBondContact O-N 2.79Å; Q363-L365 VanDerWaalsContact C-N 3.31Å; Q363-L365 PolarHBondContact O-N 2.8Å; L365-E367 VanDerWaalsContact C-N 3.34Å; L365-A368 PolarHBondContact O-N 3.33Å; L365-R369 WeakPolarHBondContact O-CB 3.49Å; L365-R369 PolarHBondContact O-N 3.46Å; L365-M395 HydrophobicContact CB-CG 4.08Å; L365-M395 HydrophobicContact CD1-CG 4.06Å |
| 366 | A | 96 | Very high | 92 | Very high | 43 Ų | 43 | 56 Ų | 56 | 36% | 0.355 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R362 Q363 K370 | R362-A366 PolarHBondContact O-N 3.41Å; Q363-A366 WeakPolarHBondContact O-CB 3.27Å; Q363-A366 PolarHBondContact O-N 2.93Å; Q363-A366 VanDerWaalsContact O-N 3.12Å; A366-K370 WeakPolarHBondContact O-CB 3.32Å; A366-K370 PolarHBondContact O-N 2.95Å |
| 367 | E | 96.4 | Very high | 92.5 | Very high | 83 Ų | 83 | 56.5 Ų | 56.5 | 39% | 0.388 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.8 | -45.6 | 174.6 | -71.6 | 177.9 | -172.9 | 0 | 0 | 112.1 | N341 Q363 K364 L365 R369 K370 D371 | N341-E367 WeakPolarHBondContact ND2-CB 3.45Å; N341-E367 PolarHBondContact ND2-OE2 3.43Å; Q363-E367 WeakPolarHBondContact O-CG 3.31Å; Q363-E367 PolarHBondContact O-N 3.29Å; K364-E367 PolarHBondContact O-N 3.22Å; L365-E367 VanDerWaalsContact C-N 3.34Å; E367-R369 VanDerWaalsContact C-N 3.33Å; E367-R369 PolarHBondContact O-N 2.81Å; E367-K370 PolarHBondContact O-N 3.43Å; E367-D371 PolarHBondContact O-N 3.19Å |
| 368 | A | 97.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.7 | -44.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A338 N341 V342 K364 L365 K370 D371 L372 V391 | A338-A368 HydrophobicContact CB-CB 4.19Å; N341-A368 HydrophobicContact CB-CB 4.02Å; V342-A368 HydrophobicContact CG2-CB 3.95Å; K364-A368 WeakPolarHBondContact O-CB 3.43Å; K364-A368 PolarHBondContact O-N 2.91Å; L365-A368 PolarHBondContact O-N 3.33Å; A368-K370 PolarHBondContact O-N 3.21Å; A368-D371 PolarHBondContact O-N 3.45Å; A368-L372 WeakPolarHBondContact O-CG 3.38Å; A368-L372 PolarHBondContact O-N 3.08Å; A368-V391 HydrophobicContact CB-CG2 3.92Å |
| 369 | R | 97.2 | Very high | 93.3 | Very high | 90 Ų | 90 | 57.6 Ų | 57.6 | 34% | 0.34 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.7 | -48.8 | 174.8 | -179.9 | 177.4 | 165.6 | 178.3 | 0.8 | 111.7 | L365 E367 D371 L372 D373 M388 V391 | L365-R369 WeakPolarHBondContact O-CB 3.49Å; L365-R369 PolarHBondContact O-N 3.46Å; E367-R369 VanDerWaalsContact C-N 3.33Å; E367-R369 PolarHBondContact O-N 2.81Å; R369-D371 VanDerWaalsContact C-N 3.27Å; R369-D371 PolarHBondContact O-N 3.48Å; R369-L372 PolarHBondContact O-N 3.47Å; R369-D373 IonicContact NE-OD2 3.52Å; R369-D373 WeakPolarHBondContact O-CB 3.45Å; R369-D373 PolarHBondContact O-N 3.35Å; R369-M388 HydrophobicContact CG-CE 4.49Å; R369-M388 HydrophobicContact CG-SD 4.35Å; R369-V391 HydrophobicContact CB-CG1 3.84Å |
| 370 | K | 96.5 | Very high | 93.7 | Very high | 121 Ų | 121 | 57.2 Ų | 57.2 | 53% | 0.526 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.4 | -39.6 | -178.6 | -179.5 | -176.4 | 176.1 | -174.9 | 0 | 112 | A366 E367 A368 R374 | A366-K370 WeakPolarHBondContact O-CB 3.32Å; A366-K370 PolarHBondContact O-N 2.95Å; E367-K370 PolarHBondContact O-N 3.43Å; A368-K370 PolarHBondContact O-N 3.21Å; K370-R374 WeakPolarHBondContact O-CG 3.43Å; K370-R374 PolarHBondContact O-N 3.15Å |
| 371 | D | 96.1 | Very high | 93.7 | Very high | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.016 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.8 | -45.7 | 177.6 | -75 | -13.3 | 0 | 0 | 0 | 111.5 | Y334 R337 A338 E367 A368 R369 R374 V375 | Y334-D371 HydrophobicContact CD1-CB 3.96Å; Y334-D371 WeakPolarHBondContact CD1-OD1 3.2Å; R337-D371 IonicContact CZ-OD1 2.79Å; R337-D371 IonicContact CZ-OD2 3.35Å; R337-D371 VanDerWaalsContact CZ-OD2 3.28Å; R337-D371 IonicContact NE-OD1 3.71Å; R337-D371 IonicContact NE-OD2 3.76Å; R337-D371 PolarHBondContact NE-OD2 2.87Å; R337-D371 IonicContact NH2-OD1 3.67Å; R337-D371 PolarHBondContact NH2-OD1 2.78Å; R337-D371 IonicContact NH2-OD2 3.84Å; R337-D371 PolarHBondContact NH2-OD2 3.4Å; A338-D371 HydrophobicContact CB-CB 4.08Å; E367-D371 PolarHBondContact O-N 3.19Å; A368-D371 PolarHBondContact O-N 3.45Å; R369-D371 VanDerWaalsContact C-N 3.27Å; R369-D371 PolarHBondContact O-N 3.48Å; D371-R374 WeakPolarHBondContact O-CB 3.17Å; D371-R374 PolarHBondContact O-N 2.9Å; D371-V375 PolarHBondContact O-N 3.14Å |
| 372 | L | 96.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.1 | -36.5 | 178.7 | -67.2 | 170.7 | 0 | 0 | 0 | 112.6 | A338 A368 R369 R374 V375 L376 E387 M388 V391 | A338-L372 HydrophobicContact CB-CD1 4.24Å; A338-L372 HydrophobicContact CB-CD2 3.95Å; A338-L372 HydrophobicContact CB-CG 3.72Å; A368-L372 WeakPolarHBondContact O-CG 3.38Å; A368-L372 PolarHBondContact O-N 3.08Å; R369-L372 PolarHBondContact O-N 3.47Å; L372-R374 VanDerWaalsContact C-N 3.27Å; L372-R374 PolarHBondContact O-N 3.3Å; L372-V375 PolarHBondContact O-N 3.35Å; L372-V375 VanDerWaalsContact O-N 3.17Å; L372-L376 WeakPolarHBondContact O-CB 3.24Å; L372-L376 WeakPolarHBondContact O-CG 3.26Å; L372-L376 PolarHBondContact O-N 3.09Å; L372-E387 HydrophobicContact CD1-CB 3.99Å; L372-E387 HydrophobicContact CD2-CB 4.09Å; L372-M388 HydrophobicContact CB-CE 3.45Å; L372-M388 VanDerWaalsContact CB-CE 3.45Å; L372-M388 HydrophobicContact CB-SD 4.24Å; L372-M388 HydrophobicContact CD1-CB 4.28Å; L372-M388 HydrophobicContact CD1-SD 4.42Å; L372-V391 HydrophobicContact CD1-CG2 3.9Å |
| 373 | D | 95.6 | Very high | 93.6 | Very high | 66 Ų | 66 | 57.1 Ų | 57.1 | 35% | 0.353 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.7 | -40 | 175.6 | -82.9 | -28.1 | 0 | 0 | 0 | 110.9 | R369 T377 M388 | R369-D373 IonicContact NE-OD2 3.52Å; R369-D373 WeakPolarHBondContact O-CB 3.45Å; R369-D373 PolarHBondContact O-N 3.35Å; D373-T377 WeakPolarHBondContact O-CG2 3.4Å; D373-T377 PolarHBondContact O-N 3.17Å; D373-T377 PolarHBondContact O-OG1 3.11Å; D373-M388 HydrophobicContact CB-CE 4.4Å; D373-M388 WeakPolarHBondContact OD1-CE 3.33Å |
| 374 | R | 94.1 | Very high | 93.5 | Very high | 101 Ų | 101 | 52.1 Ų | 52.1 | 38% | 0.381 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.6 | -39.1 | 176.5 | -70.5 | 175 | 176.1 | -160.3 | -3.1 | 112.6 | P327 Y334 K370 D371 L372 T377 | P327-R374 HydrophobicContact CB-CB 4.26Å; P327-R374 HydrophobicContact CG-CB 4.03Å; Y334-R374 PolarHBondContact OH-NH1 2.95Å; K370-R374 WeakPolarHBondContact O-CG 3.43Å; K370-R374 PolarHBondContact O-N 3.15Å; D371-R374 WeakPolarHBondContact O-CB 3.17Å; D371-R374 PolarHBondContact O-N 2.9Å; L372-R374 VanDerWaalsContact C-N 3.27Å; L372-R374 PolarHBondContact O-N 3.3Å; R374-T377 PolarHBondContact O-OG1 3.1Å |
| 375 | V | 94.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -75.5 | -43.7 | -178.9 | -179.7 | 0 | 0 | 0 | 0 | 110.7 | W331 Y334 D371 L372 T377 V378 R379 T384 | W331-V375 HydrophobicContact CB-CG1 4.02Å; W331-V375 HydrophobicContact CB-CG2 4.33Å; Y334-V375 VanDerWaalsContact CB-CG2 3.45Å; Y334-V375 HydrophobicContact CD2-CG2 4.35Å; Y334-V375 HydrophobicContact CG-CG2 4.11Å; D371-V375 PolarHBondContact O-N 3.14Å; L372-V375 PolarHBondContact O-N 3.35Å; L372-V375 VanDerWaalsContact O-N 3.17Å; V375-T377 PolarHBondContact O-N 3.21Å; V375-V378 PolarHBondContact O-N 3.25Å; V375-R379 PolarHBondContact O-N 2.94Å; V375-T384 HydrophobicContact CG1-CG2 3.74Å |
| 376 | L | 93.8 | Very high | 93.5 | Very high | 34 Ų | 34 | 53.2 Ų | 53.2 | 18% | 0.178 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.9 | -32.1 | -178.7 | -79.9 | 174.8 | 0 | 0 | 0 | 112.9 | L372 V378 T384 M388 | L372-L376 WeakPolarHBondContact O-CB 3.24Å; L372-L376 WeakPolarHBondContact O-CG 3.26Å; L372-L376 PolarHBondContact O-N 3.09Å; L376-V378 PolarHBondContact O-N 3.14Å; L376-T384 WeakPolarHBondContact CD2-OG1 3.35Å; L376-M388 HydrophobicContact CD1-CB 3.97Å; L376-M388 HydrophobicContact CD1-CE 3.44Å; L376-M388 VanDerWaalsContact CD1-CE 3.44Å; L376-M388 HydrophobicContact CD1-CG 3.83Å |
| 377 | T | 91.1 | Very high | 93.5 | Very high | 118 Ų | 118 | 51.9 Ų | 51.9 | 72% | 0.724 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -23.9 | 176.7 | 49.9 | 0 | 0 | 0 | 0 | 113.8 | D373 R374 V375 | D373-T377 WeakPolarHBondContact O-CG2 3.4Å; D373-T377 PolarHBondContact O-N 3.17Å; D373-T377 PolarHBondContact O-OG1 3.11Å; R374-T377 PolarHBondContact O-OG1 3.1Å; V375-T377 PolarHBondContact O-N 3.21Å |
| 378 | V | 91.1 | Very high | 93.5 | Very high | 63 Ų | 63 | 48 Ų | 48 | 38% | 0.382 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | -45.9 | -172.4 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | P327 E328 V375 L376 | P327-V378 HydrophobicContact CB-CG2 4.37Å; E328-V378 HydrophobicContact CB-CG1 3.63Å; E328-V378 HydrophobicContact CG-CG1 3.58Å; V375-V378 PolarHBondContact O-N 3.25Å; L376-V378 PolarHBondContact O-N 3.14Å |
| 379 | R | 87.4 | Confident | 93.5 | Very high | 90 Ų | 90 | 48 Ų | 48 | 34% | 0.34 | 23% | 0.232 | S | C | . | . | trans | -133.1 | 77.2 | -175.4 | -169.6 | 175 | 178.3 | 156 | -0.5 | 110.6 | E56 W331 V375 C381 | E56-R379 IonicContact OE1-NH1 2.7Å; E56-R379 IonicContact OE1-NH2 2.73Å; W331-R379 VanDerWaalsContact NE1-NH1 3.11Å; V375-R379 PolarHBondContact O-N 2.94Å; R379-C381 PolarHBondContact O-N 3.09Å | ||
| 380 | P | 90.4 | Very high | 93.4 | Very high | 70 Ų | 70 | 47 Ų | 47 | 46% | 0.455 | 23% | 0.231 | S | C | . | . | trans | -68.4 | 119.7 | 173.6 | 28.4 | -33.3 | 0 | 0 | 0 | 110 | ||||
| 381 | C | 89.3 | Confident | 93.4 | Very high | 36 Ų | 36 | 41.2 Ų | 41.2 | 24% | 0.243 | 21% | 0.206 | C | C | . | . | trans | -140.1 | 164.9 | 175 | 75.4 | 0 | 0 | 0 | 0 | 111.7 | R379 R383 T384 H385 | R379-C381 PolarHBondContact O-N 3.09Å; C381-R383 VanDerWaalsContact C-N 3.26Å; C381-R383 PolarHBondContact O-N 2.94Å; C381-T384 PolarHBondContact N-OG1 2.66Å; C381-T384 PolarHBondContact O-N 2.74Å; C381-T384 VanDerWaalsContact O-N 3.12Å; C381-T384 PolarHBondContact O-OG1 2.81Å; C381-T384 PolarHBondContact SG-OG1 3.28Å; C381-H385 PolarHBondContact O-CD2 3.38Å; C381-H385 PolarHBondContact O-N 3.45Å; C381-H385 VanDerWaalsContact O-N 3.08Å | ||
| 382 | L | 90.6 | Very high | 93.5 | Very high | 22 Ų | 22 | 41.7 Ų | 41.7 | 12% | 0.115 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -45.7 | -50.4 | 179 | 176 | 58.4 | 0 | 0 | 0 | 112.5 | H385 L386 A421 F424 L430 L433 | L382-H385 PolarHBondContact O-N 3.2Å; L382-L386 WeakPolarHBondContact O-CB 3.4Å; L382-L386 PolarHBondContact O-N 3.49Å; L382-A421 HydrophobicContact CD1-CB 3.89Å; L382-A421 VanDerWaalsContact CD1-O 3.26Å; L382-A421 WeakPolarHBondContact CD1-O 3.45Å; L382-F424 HydrophobicContact CB-CB 3.86Å; L382-F424 HydrophobicContact CB-CG 4.19Å; L382-F424 HydrophobicContact CD1-CB 4.27Å; L382-F424 HydrophobicContact CG-CB 4.48Å; L382-L430 HydrophobicContact CD1-CD1 4.16Å; L382-L430 HydrophobicContact CD2-CD1 3.88Å; L382-L430 HydrophobicContact CG-CD1 4.19Å; L382-L433 HydrophobicContact CD1-CD1 4.5Å |
| 383 | R | 89.3 | Confident | 93.5 | Very high | 116 Ų | 116 | 42.1 Ų | 42.1 | 44% | 0.438 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.8 | -46.4 | -178.1 | -178.7 | 172.6 | 176.1 | 168.6 | -6 | 112.6 | C381 H385 L386 E387 | C381-R383 VanDerWaalsContact C-N 3.26Å; C381-R383 PolarHBondContact O-N 2.94Å; R383-H385 VanDerWaalsContact C-N 3.33Å; R383-H385 PolarHBondContact O-N 3.13Å; R383-L386 PolarHBondContact O-N 3.15Å; R383-E387 HydrophobicContact CG-CG 4.35Å; R383-E387 IonicContact CZ-OE1 3.72Å; R383-E387 IonicContact NE-OE1 3.94Å; R383-E387 PolarHBondContact NE-OE1 3.4Å; R383-E387 IonicContact NH2-OE1 2.58Å; R383-E387 PolarHBondContact NH2-OE1 3.47Å; R383-E387 WeakPolarHBondContact O-CB 3.29Å; R383-E387 WeakPolarHBondContact O-CG 3.47Å; R383-E387 PolarHBondContact O-N 3.21Å |
| 384 | T | 92 | Very high | 93.5 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.8 | -37.9 | -179.9 | 54.3 | 0 | 0 | 0 | 0 | 112.3 | V375 L376 C381 M388 | V375-T384 HydrophobicContact CG1-CG2 3.74Å; L376-T384 WeakPolarHBondContact CD2-OG1 3.35Å; C381-T384 PolarHBondContact N-OG1 2.66Å; C381-T384 PolarHBondContact O-N 2.74Å; C381-T384 VanDerWaalsContact O-N 3.12Å; C381-T384 PolarHBondContact O-OG1 2.81Å; C381-T384 PolarHBondContact SG-OG1 3.28Å; T384-M388 WeakPolarHBondContact O-CB 3.48Å; T384-M388 PolarHBondContact O-N 3.12Å |
| 385 | H | 95.2 | Very high | 93.5 | Very high | 22 Ų | 22 | 36.9 Ų | 36.9 | 10% | 0.102 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.8 | -39 | 175.2 | -76 | -59.7 | 0 | 0 | 0 | 112.6 | C381 L382 R383 A389 A421 F424 | C381-H385 PolarHBondContact O-CD2 3.38Å; C381-H385 PolarHBondContact O-N 3.45Å; C381-H385 VanDerWaalsContact O-N 3.08Å; L382-H385 PolarHBondContact O-N 3.2Å; R383-H385 VanDerWaalsContact C-N 3.33Å; R383-H385 PolarHBondContact O-N 3.13Å; H385-A389 WeakPolarHBondContact O-CB 3.48Å; H385-A389 PolarHBondContact O-N 2.92Å; H385-A421 HydrophobicContact CB-CB 3.87Å; H385-F424 AromaticContact CD2-CE2 3.57Å; H385-F424 AromaticContact NE2-CE2 3.95Å |
| 386 | L | 94.6 | Very high | 93.5 | Very high | 36 Ų | 36 | 36.8 Ų | 36.8 | 19% | 0.188 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.5 | -48.2 | 176.5 | -171.7 | 76.1 | 0 | 0 | 0 | 111.6 | L382 R383 M388 A389 Q390 L418 L433 | L382-L386 WeakPolarHBondContact O-CB 3.4Å; L382-L386 PolarHBondContact O-N 3.49Å; R383-L386 PolarHBondContact O-N 3.15Å; L386-M388 VanDerWaalsContact C-N 3.31Å; L386-M388 PolarHBondContact O-N 2.93Å; L386-A389 WeakPolarHBondContact O-CB 3.31Å; L386-A389 PolarHBondContact O-N 3.44Å; L386-Q390 PolarHBondContact O-N 3.45Å; L386-L418 HydrophobicContact CD1-CD2 4.32Å; L386-L433 HydrophobicContact CD1-CB 3.79Å; L386-L433 HydrophobicContact CD1-CD1 4.33Å; L386-L433 HydrophobicContact CD1-CG 3.99Å |
| 387 | E | 94.6 | Very high | 93.4 | Very high | 15 Ų | 15 | 35.2 Ų | 35.2 | 7% | 0.07 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.1 | -40.3 | 177.3 | -71.2 | 176.9 | 178.7 | 0 | 0 | 110.8 | L372 R383 Q390 V391 | L372-E387 HydrophobicContact CD1-CB 3.99Å; L372-E387 HydrophobicContact CD2-CB 4.09Å; R383-E387 HydrophobicContact CG-CG 4.35Å; R383-E387 IonicContact CZ-OE1 3.72Å; R383-E387 IonicContact NE-OE1 3.94Å; R383-E387 PolarHBondContact NE-OE1 3.4Å; R383-E387 IonicContact NH2-OE1 2.58Å; R383-E387 PolarHBondContact NH2-OE1 3.47Å; R383-E387 WeakPolarHBondContact O-CB 3.29Å; R383-E387 WeakPolarHBondContact O-CG 3.47Å; R383-E387 PolarHBondContact O-N 3.21Å; E387-Q390 PolarHBondContact O-N 2.6Å; E387-V391 WeakPolarHBondContact O-CG2 3.44Å; E387-V391 PolarHBondContact O-N 2.82Å |
| 388 | M | 96.5 | Very high | 93.3 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.6 | -41.4 | 175.7 | -176.6 | 60.7 | 90.6 | 0 | 0 | 112.3 | R369 L372 D373 L376 T384 L386 Q390 V391 F392 | R369-M388 HydrophobicContact CG-CE 4.49Å; R369-M388 HydrophobicContact CG-SD 4.35Å; L372-M388 HydrophobicContact CB-CE 3.45Å; L372-M388 VanDerWaalsContact CB-CE 3.45Å; L372-M388 HydrophobicContact CB-SD 4.24Å; L372-M388 HydrophobicContact CD1-CB 4.28Å; L372-M388 HydrophobicContact CD1-SD 4.42Å; D373-M388 HydrophobicContact CB-CE 4.4Å; D373-M388 WeakPolarHBondContact OD1-CE 3.33Å; L376-M388 HydrophobicContact CD1-CB 3.97Å; L376-M388 HydrophobicContact CD1-CE 3.44Å; L376-M388 VanDerWaalsContact CD1-CE 3.44Å; L376-M388 HydrophobicContact CD1-CG 3.83Å; T384-M388 WeakPolarHBondContact O-CB 3.48Å; T384-M388 PolarHBondContact O-N 3.12Å; L386-M388 VanDerWaalsContact C-N 3.31Å; L386-M388 PolarHBondContact O-N 2.93Å; M388-Q390 VanDerWaalsContact C-N 3.28Å; M388-Q390 PolarHBondContact O-N 3.47Å; M388-V391 PolarHBondContact O-N 2.84Å; M388-F392 HydrophobicContact CG-CD2 3.68Å; M388-F392 HydrophobicContact CG-CE2 3.42Å; M388-F392 VanDerWaalsContact CG-CE2 3.42Å; M388-F392 HydrophobicContact CG-CZ 4.46Å; M388-F392 VanDerWaalsContact O-CD2 3.3Å; M388-F392 WeakPolarHBondContact O-CD2 3.46Å; M388-F392 PolarHBondContact O-N 3.4Å; M388-F392 HydrophobicContact SD-CD2 3.9Å; M388-F392 HydrophobicContact SD-CE2 3.45Å; M388-F392 WeakPolarHBondContact SD-CE2 3.48Å; M388-F392 HydrophobicContact SD-CZ 3.97Å |
| 389 | A | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.4 | -41.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | H385 L386 F392 Y393 A414 L418 L436 | H385-A389 WeakPolarHBondContact O-CB 3.48Å; H385-A389 PolarHBondContact O-N 2.92Å; L386-A389 WeakPolarHBondContact O-CB 3.31Å; L386-A389 PolarHBondContact O-N 3.44Å; A389-F392 PolarHBondContact O-N 3.3Å; A389-Y393 WeakPolarHBondContact O-CB 3.33Å; A389-Y393 PolarHBondContact O-N 3.25Å; A389-A414 WeakPolarHBondContact O-CB 3.37Å; A389-L418 HydrophobicContact CB-CD1 4.42Å; A389-L418 HydrophobicContact CB-CD2 3.82Å; A389-L418 HydrophobicContact CB-CG 3.65Å; A389-L436 HydrophobicContact CB-CD2 3.92Å |
| 390 | Q | 96.3 | Very high | 92.5 | Very high | 69 Ų | 69 | 29.9 Ų | 29.9 | 32% | 0.322 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -65.4 | -41.5 | 178.5 | -170.1 | 175.9 | 25.8 | 0 | 0 | 111.6 | V342 L386 E387 M388 Y393 Y394 L436 | V342-Q390 HydrophobicContact CG1-CG 4.14Å; L386-Q390 PolarHBondContact O-N 3.45Å; E387-Q390 PolarHBondContact O-N 2.6Å; M388-Q390 VanDerWaalsContact C-N 3.28Å; M388-Q390 PolarHBondContact O-N 3.47Å; Q390-Y393 PolarHBondContact O-N 2.87Å; Q390-Y394 HydrophobicContact CG-CD2 3.92Å; Q390-Y394 HydrophobicContact CG-CE2 3.62Å; Q390-Y394 WeakPolarHBondContact O-CD2 3.38Å; Q390-Y394 PolarHBondContact O-N 2.89Å; Q390-Y394 VanDerWaalsContact O-N 3.11Å; Q390-L436 HydrophobicContact CB-CD2 3.96Å |
| 391 | V | 96.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.1 | -49.7 | 174.2 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | V342 A368 R369 L372 E387 M388 Y393 Y394 M395 | V342-V391 HydrophobicContact CG2-CG2 3.47Å; V342-V391 VanDerWaalsContact CG2-CG2 3.47Å; A368-V391 HydrophobicContact CB-CG2 3.92Å; R369-V391 HydrophobicContact CB-CG1 3.84Å; L372-V391 HydrophobicContact CD1-CG2 3.9Å; E387-V391 WeakPolarHBondContact O-CG2 3.44Å; E387-V391 PolarHBondContact O-N 2.82Å; M388-V391 PolarHBondContact O-N 2.84Å; V391-Y393 VanDerWaalsContact C-N 3.34Å; V391-Y393 PolarHBondContact O-N 3.16Å; V391-Y394 PolarHBondContact O-N 2.87Å; V391-M395 HydrophobicContact CG1-CG 4.38Å; V391-M395 HydrophobicContact CG1-SD 3.97Å; V391-M395 VanDerWaalsContact O-CG 3.31Å; V391-M395 WeakPolarHBondContact O-CG 3.4Å; V391-M395 PolarHBondContact O-N 3.47Å |
| 392 | F | 97.3 | Very high | 91.9 | Very high | 13 Ų | 13 | 31.5 Ų | 31.5 | 6% | 0.057 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.9 | -38 | 178.8 | -80.5 | -53 | 0 | 0 | 0 | 113.2 | M388 A389 M395 G396 S410 H413 A414 | M388-F392 HydrophobicContact CG-CD2 3.68Å; M388-F392 HydrophobicContact CG-CE2 3.42Å; M388-F392 VanDerWaalsContact CG-CE2 3.42Å; M388-F392 HydrophobicContact CG-CZ 4.46Å; M388-F392 VanDerWaalsContact O-CD2 3.3Å; M388-F392 WeakPolarHBondContact O-CD2 3.46Å; M388-F392 PolarHBondContact O-N 3.4Å; M388-F392 HydrophobicContact SD-CD2 3.9Å; M388-F392 HydrophobicContact SD-CE2 3.45Å; M388-F392 WeakPolarHBondContact SD-CE2 3.48Å; M388-F392 HydrophobicContact SD-CZ 3.97Å; A389-F392 PolarHBondContact O-N 3.3Å; F392-M395 PolarHBondContact O-N 3.19Å; F392-G396 PolarHBondContact O-N 2.94Å; F392-S410 WeakPolarHBondContact CB-O 3.37Å; F392-H413 HydrophobicContact CB-CB 4.49Å; F392-H413 HydrophobicContact CD1-CB 3.9Å; F392-H413 HydrophobicContact CD2-CB 3.82Å; F392-H413 HydrophobicContact CE1-CB 4.02Å; F392-H413 HydrophobicContact CE2-CB 3.91Å; F392-H413 HydrophobicContact CG-CB 3.83Å; F392-H413 HydrophobicContact CZ-CB 4.03Å; F392-A414 HydrophobicContact CB-CB 3.75Å |
| 393 | Y | 96.4 | Very high | 91.4 | Very high | 8 Ų | 8 | 34.7 Ų | 34.7 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.6 | -53.4 | 173.6 | 169.6 | -96.4 | 0 | 0 | 0 | 110.9 | A389 Q390 V391 M395 G396 V397 E402 I411 L436 R439 I443 | A389-Y393 WeakPolarHBondContact O-CB 3.33Å; A389-Y393 PolarHBondContact O-N 3.25Å; Q390-Y393 PolarHBondContact O-N 2.87Å; V391-Y393 VanDerWaalsContact C-N 3.34Å; V391-Y393 PolarHBondContact O-N 3.16Å; Y393-M395 VanDerWaalsContact C-N 3.3Å; Y393-M395 PolarHBondContact O-N 2.98Å; Y393-G396 PolarHBondContact O-N 3.4Å; Y393-V397 HydrophobicContact CD2-CG1 4.48Å; Y393-V397 HydrophobicContact CE2-CG1 4.13Å; Y393-V397 PolarHBondContact O-N 3.08Å; Y393-E402 WeakPolarHBondContact CE1-OE2 3.44Å; Y393-E402 PolarHBondContact OH-OE2 3.44Å; Y393-I411 HydrophobicContact CD2-CD1 4.46Å; Y393-L436 HydrophobicContact CD1-CD1 3.97Å; Y393-L436 HydrophobicContact CD2-CD1 3.98Å; Y393-L436 HydrophobicContact CG-CD1 3.62Å; Y393-R439 HydrophobicContact CD2-CB 4.46Å; Y393-R439 HydrophobicContact CE2-CB 3.62Å; Y393-I443 HydrophobicContact CD2-CD1 4.09Å; Y393-I443 HydrophobicContact CE2-CD1 3.39Å |
| 394 | Y | 95.1 | Very high | 91.3 | Very high | 13 Ų | 13 | 33.5 Ų | 33.5 | 5% | 0.051 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.1 | -27.1 | -179.5 | -73 | -59.2 | 0 | 0 | 0 | 113.8 | Y345 V346 L349 Q390 V391 G396 V397 | Y345-Y394 HydrophobicContact CD1-CG 4.28Å; Y345-Y394 HydrophobicContact CE1-CD1 4Å; Y345-Y394 AromaticContact CE1-CG 3.96Å; Y345-Y394 HydrophobicContact CE1-CG 3.96Å; V346-Y394 HydrophobicContact CG2-CD2 4.16Å; V346-Y394 HydrophobicContact CG2-CE1 4.3Å; V346-Y394 HydrophobicContact CG2-CE2 3.43Å; V346-Y394 VanDerWaalsContact CG2-CE2 3.43Å; L349-Y394 HydrophobicContact CD2-CD1 4.12Å; L349-Y394 HydrophobicContact CD2-CE1 3.81Å; Q390-Y394 HydrophobicContact CG-CD2 3.92Å; Q390-Y394 HydrophobicContact CG-CE2 3.62Å; Q390-Y394 WeakPolarHBondContact O-CD2 3.38Å; Q390-Y394 PolarHBondContact O-N 2.89Å; Q390-Y394 VanDerWaalsContact O-N 3.11Å; V391-Y394 PolarHBondContact O-N 2.87Å; Y394-G396 VanDerWaalsContact C-N 3.35Å; Y394-V397 HydrophobicContact CD1-CG2 4.33Å |
| 395 | M | 94.6 | Very high | 91.3 | Very high | 44 Ų | 44 | 36.9 Ų | 36.9 | 22% | 0.217 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.5 | -33.5 | 171.2 | -71.4 | -176.7 | 70.6 | 0 | 0 | 112.4 | L365 V391 F392 Y393 | L365-M395 HydrophobicContact CB-CG 4.08Å; L365-M395 HydrophobicContact CD1-CG 4.06Å; V391-M395 HydrophobicContact CG1-CG 4.38Å; V391-M395 HydrophobicContact CG1-SD 3.97Å; V391-M395 VanDerWaalsContact O-CG 3.31Å; V391-M395 WeakPolarHBondContact O-CG 3.4Å; V391-M395 PolarHBondContact O-N 3.47Å; F392-M395 PolarHBondContact O-N 3.19Å; Y393-M395 VanDerWaalsContact C-N 3.3Å; Y393-M395 PolarHBondContact O-N 2.98Å |
| 396 | G | 93.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -82.2 | -18.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | F392 Y393 Y394 V406 D407 | F392-G396 PolarHBondContact O-N 2.94Å; Y393-G396 PolarHBondContact O-N 3.4Å; Y394-G396 VanDerWaalsContact C-N 3.35Å; G396-V406 PolarHBondContact O-N 2.75Å; G396-D407 WeakPolarHBondContact CA-O 3.37Å; G396-D407 PolarHBondContact O-N 3.41Å |
| 397 | V | 92.4 | Very high | 91 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | B | Isolated β-bridge | trans | -100.2 | 164.4 | 179 | -59.5 | 0 | 0 | 0 | 0 | 113 | R362 Y393 Y394 E402 L404 I411 I443 | R362-V397 PolarHBondContact NH2-O 2.96Å; Y393-V397 HydrophobicContact CD2-CG1 4.48Å; Y393-V397 HydrophobicContact CE2-CG1 4.13Å; Y393-V397 PolarHBondContact O-N 3.08Å; Y394-V397 HydrophobicContact CD1-CG2 4.33Å; V397-E402 HydrophobicContact CG2-CG 4.39Å; V397-L404 WeakPolarHBondContact CA-O 3.28Å; V397-I411 HydrophobicContact CG1-CD1 4.19Å; V397-I443 HydrophobicContact CG1-CD1 3.31Å; V397-I443 HydrophobicContact CG1-CG1 4.35Å |
| 398 | D | 89.1 | Confident | 91 | Very high | 43 Ų | 43 | 45.1 Ų | 45.1 | 23% | 0.23 | 24% | 0.237 | C | C | . | . | trans | -70.2 | 144.9 | 173.1 | -177.6 | -100.3 | 0 | 0 | 0 | 112 | L400 Q401 L404 V406 | D398-L400 PolarHBondContact O-N 3.01Å; D398-L400 WeakPolarHBondContact OD1-CA 3.32Å; D398-L400 WeakPolarHBondContact OD1-CB 3.45Å; D398-L400 PolarHBondContact OD1-N 3.2Å; D398-Q401 WeakPolarHBondContact CB-O 3.38Å; D398-Q401 PolarHBondContact OD1-N 3.38Å; D398-L404 HydrophobicContact CB-CB 3.95Å; D398-L404 HydrophobicContact CB-CD2 4.14Å; D398-L404 HydrophobicContact CB-CG 4.4Å; D398-L404 PolarHBondContact N-O 3.36Å; D398-V406 HydrophobicContact CB-CG2 3.67Å | ||
| 399 | A | 81 | Confident | 91 | Very high | 11 Ų | 11 | 48 Ų | 48 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -77.6 | -4.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L349 P360 | L349-A399 WeakPolarHBondContact CD1-O 3.38Å; P360-A399 WeakPolarHBondContact CD-O 3.44Å; P360-A399 HydrophobicContact CG-CB 3.86Å; P360-A399 WeakPolarHBondContact CG-O 3.38Å |
| 400 | L | 80.7 | Confident | 90.9 | Very high | 105 Ų | 105 | 48.2 Ų | 48.2 | 55% | 0.55 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -122.6 | -34.5 | 176 | -62.1 | 174 | 0 | 0 | 0 | 111.1 | A352 D398 | A352-L400 HydrophobicContact CB-CD2 4.09Å; D398-L400 PolarHBondContact O-N 3.01Å; D398-L400 WeakPolarHBondContact OD1-CA 3.32Å; D398-L400 WeakPolarHBondContact OD1-CB 3.45Å; D398-L400 PolarHBondContact OD1-N 3.2Å |
| 401 | Q | 82.2 | Confident | 91 | Very high | 112 Ų | 112 | 44.9 Ų | 44.9 | 52% | 0.523 | 24% | 0.243 | S | C | . | . | trans | -125.9 | 95.8 | -178.9 | -173.3 | 172.3 | 3.6 | 0 | 0 | 111.8 | D398 S403 L404 | D398-Q401 WeakPolarHBondContact CB-O 3.38Å; D398-Q401 PolarHBondContact OD1-N 3.38Å; Q401-S403 VanDerWaalsContact CG-OG 3.24Å; Q401-S403 WeakPolarHBondContact CG-OG 3.39Å; Q401-S403 PolarHBondContact NE2-OG 3.06Å; Q401-S403 PolarHBondContact O-N 3.49Å; Q401-L404 PolarHBondContact O-N 3.42Å | ||
| 402 | E | 84 | Confident | 91 | Very high | 28 Ų | 28 | 47.6 Ų | 47.6 | 13% | 0.131 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -20.6 | -179.1 | -74.4 | -170.2 | -127.7 | 0 | 0 | 114.7 | L349 K353 Y393 V397 L404 | L349-E402 HydrophobicContact CD2-CG 4.21Å; K353-E402 WeakPolarHBondContact CE-OE1 3.19Å; K353-E402 IonicContact NZ-OE1 3.22Å; K353-E402 PolarHBondContact NZ-OE1 2.98Å; Y393-E402 WeakPolarHBondContact CE1-OE2 3.44Å; Y393-E402 PolarHBondContact OH-OE2 3.44Å; V397-E402 HydrophobicContact CG2-CG 4.39Å; E402-L404 PolarHBondContact O-N 3.1Å |
| 403 | S | 81.8 | Confident | 90.9 | Very high | 89 Ų | 89 | 51.1 Ų | 51.1 | 62% | 0.622 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -10 | 176.5 | 68.7 | 0 | 0 | 0 | 0 | 113.7 | Q401 | Q401-S403 VanDerWaalsContact CG-OG 3.24Å; Q401-S403 WeakPolarHBondContact CG-OG 3.39Å; Q401-S403 PolarHBondContact NE2-OG 3.06Å; Q401-S403 PolarHBondContact O-N 3.49Å |
| 404 | L | 86.8 | Confident | 91 | Very high | 92 Ų | 92 | 50.7 Ų | 50.7 | 48% | 0.482 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -101.1 | 123.1 | -179.3 | -174.2 | 69.4 | 0 | 0 | 0 | 110.7 | V397 D398 Q401 E402 | V397-L404 WeakPolarHBondContact CA-O 3.28Å; D398-L404 HydrophobicContact CB-CB 3.95Å; D398-L404 HydrophobicContact CB-CD2 4.14Å; D398-L404 HydrophobicContact CB-CG 4.4Å; D398-L404 PolarHBondContact N-O 3.36Å; Q401-L404 PolarHBondContact O-N 3.42Å; E402-L404 PolarHBondContact O-N 3.1Å |
| 405 | M | 91.8 | Very high | 91.1 | Very high | 73 Ų | 73 | 51.7 Ų | 51.7 | 36% | 0.36 | 28% | 0.278 | S | S | . | . | B | Isolated β-bridge | trans | -76.2 | 129.9 | 171.6 | -165.1 | 171.3 | 62.4 | 0 | 0 | 110.7 | E408 I411 I443 | M405-E408 HydrophobicContact CE-CB 3.87Å; M405-E408 HydrophobicContact CE-CG 3.99Å; M405-E408 HydrophobicContact SD-CB 3.85Å; M405-E408 HydrophobicContact SD-CG 3.92Å; M405-I411 HydrophobicContact CG-CG1 4.28Å; M405-I411 HydrophobicContact SD-CG1 4.39Å; M405-I443 HydrophobicContact CB-CG2 3.54Å; M405-I443 HydrophobicContact CG-CG2 3.74Å; M405-I443 HydrophobicContact SD-CG2 3.98Å |
| 406 | V | 91.4 | Very high | 91.2 | Very high | 78 Ų | 78 | 53.4 Ų | 53.4 | 47% | 0.473 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -111.9 | -35.4 | 176.5 | 178.8 | 0 | 0 | 0 | 0 | 111.6 | G396 D398 | G396-V406 PolarHBondContact O-N 2.75Å; D398-V406 HydrophobicContact CB-CG2 3.67Å |
| 407 | D | 93 | Very high | 91.3 | Very high | 64 Ų | 64 | 53.9 Ų | 53.9 | 34% | 0.342 | 30% | 0.295 | S | S | . | . | trans | -138.4 | 104.4 | 176.6 | 176.1 | 21.7 | 0 | 0 | 0 | 111.8 | G396 S409 S410 I411 | G396-D407 WeakPolarHBondContact CA-O 3.37Å; G396-D407 PolarHBondContact O-N 3.41Å; D407-S409 VanDerWaalsContact C-N 3.28Å; D407-S409 PolarHBondContact O-N 3.05Å; D407-S409 VanDerWaalsContact OD1-CB 3.32Å; D407-S409 WeakPolarHBondContact OD1-CB 3.44Å; D407-S409 PolarHBondContact OD1-N 3.42Å; D407-S410 PolarHBondContact O-N 3.28Å; D407-S410 VanDerWaalsContact OD2-CB 3.24Å; D407-S410 WeakPolarHBondContact OD2-CB 3.37Å; D407-S410 PolarHBondContact OD2-N 3.46Å; D407-S410 PolarHBondContact OD2-OG 3.29Å; D407-I411 PolarHBondContact O-N 3.15Å | ||
| 408 | E | 93.8 | Very high | 91.6 | Very high | 104 Ų | 104 | 54 Ų | 54 | 49% | 0.486 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63 | -33 | 178.1 | -166.6 | -174.2 | 162.1 | 0 | 0 | 112.4 | M405 S410 I411 N412 | M405-E408 HydrophobicContact CE-CB 3.87Å; M405-E408 HydrophobicContact CE-CG 3.99Å; M405-E408 HydrophobicContact SD-CB 3.85Å; M405-E408 HydrophobicContact SD-CG 3.92Å; E408-S410 VanDerWaalsContact C-N 3.34Å; E408-S410 PolarHBondContact O-N 3.2Å; E408-I411 PolarHBondContact O-N 3.41Å; E408-N412 PolarHBondContact O-N 3.46Å; E408-N412 PolarHBondContact O-ND2 2.93Å; E408-N412 VanDerWaalsContact O-ND2 3.16Å |
| 409 | S | 96.1 | Very high | 91.9 | Very high | 62 Ų | 62 | 55 Ų | 55 | 43% | 0.434 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 179.2 | -166.8 | 0 | 0 | 0 | 0 | 110.8 | D407 N412 H413 | D407-S409 VanDerWaalsContact C-N 3.28Å; D407-S409 PolarHBondContact O-N 3.05Å; D407-S409 VanDerWaalsContact OD1-CB 3.32Å; D407-S409 WeakPolarHBondContact OD1-CB 3.44Å; D407-S409 PolarHBondContact OD1-N 3.42Å; S409-N412 PolarHBondContact O-N 3.11Å; S409-H413 PolarHBondContact O-CD2 3.42Å; S409-H413 PolarHBondContact O-N 2.97Å |
| 410 | S | 95.8 | Very high | 92.6 | Very high | 4 Ų | 4 | 57 Ų | 57 | 3% | 0.028 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 175.9 | -71.4 | 0 | 0 | 0 | 0 | 111.8 | F392 D407 E408 N412 H413 A414 | F392-S410 WeakPolarHBondContact CB-O 3.37Å; D407-S410 PolarHBondContact O-N 3.28Å; D407-S410 VanDerWaalsContact OD2-CB 3.24Å; D407-S410 WeakPolarHBondContact OD2-CB 3.37Å; D407-S410 PolarHBondContact OD2-N 3.46Å; D407-S410 PolarHBondContact OD2-OG 3.29Å; E408-S410 VanDerWaalsContact C-N 3.34Å; E408-S410 PolarHBondContact O-N 3.2Å; S410-N412 VanDerWaalsContact C-N 3.33Å; S410-N412 PolarHBondContact O-N 3.39Å; S410-H413 PolarHBondContact O-N 3.27Å; S410-H413 VanDerWaalsContact O-N 3.15Å; S410-A414 PolarHBondContact O-N 2.98Å |
| 411 | I | 96.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.5 | -40 | 175.8 | -59.4 | -57.7 | 0 | 0 | 0 | 111.7 | Y393 V397 M405 D407 E408 H413 A414 L415 C440 I443 K444 | Y393-I411 HydrophobicContact CD2-CD1 4.46Å; V397-I411 HydrophobicContact CG1-CD1 4.19Å; M405-I411 HydrophobicContact CG-CG1 4.28Å; M405-I411 HydrophobicContact SD-CG1 4.39Å; D407-I411 PolarHBondContact O-N 3.15Å; E408-I411 PolarHBondContact O-N 3.41Å; I411-H413 PolarHBondContact O-N 2.95Å; I411-A414 WeakPolarHBondContact O-CB 3.4Å; I411-A414 PolarHBondContact O-N 3.17Å; I411-L415 PolarHBondContact O-N 2.92Å; I411-C440 HydrophobicContact CG2-CB 4.14Å; I411-I443 HydrophobicContact CD1-CD1 4.29Å; I411-I443 HydrophobicContact CG1-CG2 4.39Å; I411-K444 HydrophobicContact CG2-CD 4.27Å; I411-K444 HydrophobicContact CG2-CG 4.03Å |
| 412 | N | 96.6 | Very high | 93.9 | Very high | 56 Ų | 56 | 48.9 Ų | 48.9 | 30% | 0.299 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64 | -39.6 | 174.5 | -71.6 | -38.9 | 0 | 0 | 0 | 111.8 | E408 S409 S410 A414 L415 V416 K444 | E408-N412 PolarHBondContact O-N 3.46Å; E408-N412 PolarHBondContact O-ND2 2.93Å; E408-N412 VanDerWaalsContact O-ND2 3.16Å; S409-N412 PolarHBondContact O-N 3.11Å; S410-N412 VanDerWaalsContact C-N 3.33Å; S410-N412 PolarHBondContact O-N 3.39Å; N412-A414 VanDerWaalsContact C-N 3.34Å; N412-A414 PolarHBondContact O-N 3.15Å; N412-L415 PolarHBondContact O-N 3.48Å; N412-V416 WeakPolarHBondContact O-CG2 3.48Å; N412-V416 PolarHBondContact O-N 3.45Å; N412-K444 PolarHBondContact OD1-NZ 3.05Å |
| 413 | H | 97.1 | Very high | 94.3 | Very high | 87 Ų | 87 | 54.5 Ų | 54.5 | 40% | 0.403 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.3 | -34.5 | 173.6 | -73.8 | -57.8 | 0 | 0 | 0 | 113.3 | F392 S409 S410 I411 V416 S417 | F392-H413 HydrophobicContact CB-CB 4.49Å; F392-H413 HydrophobicContact CD1-CB 3.9Å; F392-H413 HydrophobicContact CD2-CB 3.82Å; F392-H413 HydrophobicContact CE1-CB 4.02Å; F392-H413 HydrophobicContact CE2-CB 3.91Å; F392-H413 HydrophobicContact CG-CB 3.83Å; F392-H413 HydrophobicContact CZ-CB 4.03Å; S409-H413 PolarHBondContact O-CD2 3.42Å; S409-H413 PolarHBondContact O-N 2.97Å; S410-H413 PolarHBondContact O-N 3.27Å; S410-H413 VanDerWaalsContact O-N 3.15Å; I411-H413 PolarHBondContact O-N 2.95Å; H413-V416 PolarHBondContact O-N 2.65Å; H413-S417 WeakPolarHBondContact O-CB 3.46Å; H413-S417 PolarHBondContact O-N 2.68Å; H413-S417 PolarHBondContact O-OG 2.87Å |
| 414 | A | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.6 | -48.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111 | A389 F392 S410 I411 N412 V416 S417 L418 | A389-A414 WeakPolarHBondContact O-CB 3.37Å; F392-A414 HydrophobicContact CB-CB 3.75Å; S410-A414 PolarHBondContact O-N 2.98Å; I411-A414 WeakPolarHBondContact O-CB 3.4Å; I411-A414 PolarHBondContact O-N 3.17Å; N412-A414 VanDerWaalsContact C-N 3.34Å; N412-A414 PolarHBondContact O-N 3.15Å; A414-V416 PolarHBondContact O-N 2.96Å; A414-S417 PolarHBondContact O-N 3.32Å; A414-L418 VanDerWaalsContact O-CG 3.3Å; A414-L418 WeakPolarHBondContact O-CG 3.48Å; A414-L418 PolarHBondContact O-N 3.33Å |
| 415 | L | 97.2 | Very high | 94.7 | Very high | 33 Ų | 33 | 56.2 Ų | 56.2 | 17% | 0.173 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.5 | -39.6 | 177.4 | -71.2 | 172.8 | 0 | 0 | 0 | 112.9 | I411 N412 L418 S419 R437 C440 L441 K444 | I411-L415 PolarHBondContact O-N 2.92Å; N412-L415 PolarHBondContact O-N 3.48Å; L415-L418 HydrophobicContact CD2-CD1 4.46Å; L415-L418 PolarHBondContact O-N 3.4Å; L415-S419 WeakPolarHBondContact O-CB 3.49Å; L415-S419 PolarHBondContact O-N 3.42Å; L415-R437 HydrophobicContact CD2-CG 4.23Å; L415-C440 HydrophobicContact CD2-CB 3.55Å; L415-C440 HydrophobicContact CG-CB 3.9Å; L415-L441 HydrophobicContact CD1-CD2 4.44Å; L415-L441 HydrophobicContact CD2-CD2 4.29Å; L415-L441 HydrophobicContact CD2-CG 4.29Å; L415-K444 HydrophobicContact CD1-CD 3.73Å |
| 416 | V | 97.1 | Very high | 94.5 | Very high | 80 Ų | 80 | 52.9 Ų | 52.9 | 49% | 0.485 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.3 | -45.3 | 174.3 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | N412 H413 A414 L418 S419 N420 | N412-V416 WeakPolarHBondContact O-CG2 3.48Å; N412-V416 PolarHBondContact O-N 3.45Å; H413-V416 PolarHBondContact O-N 2.65Å; A414-V416 PolarHBondContact O-N 2.96Å; V416-L418 VanDerWaalsContact C-N 3.33Å; V416-L418 PolarHBondContact O-N 3.25Å; V416-S419 WeakPolarHBondContact O-CB 3.34Å; V416-S419 PolarHBondContact O-N 3.33Å; V416-N420 PolarHBondContact O-N 3.14Å; V416-N420 PolarHBondContact O-ND2 3.48Å |
| 417 | S | 96.3 | Very high | 94.2 | Very high | 11 Ų | 11 | 49.2 Ų | 49.2 | 8% | 0.077 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 177.7 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | H413 A414 N420 A421 | H413-S417 WeakPolarHBondContact O-CB 3.46Å; H413-S417 PolarHBondContact O-N 2.68Å; H413-S417 PolarHBondContact O-OG 2.87Å; A414-S417 PolarHBondContact O-N 3.32Å; S417-N420 PolarHBondContact O-N 3.24Å; S417-A421 PolarHBondContact O-N 3.19Å |
| 418 | L | 96.9 | Very high | 94 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 174.1 | -69.6 | 163.9 | 0 | 0 | 0 | 112.5 | L386 A389 A414 L415 V416 N420 A421 L422 L433 L436 R437 | L386-L418 HydrophobicContact CD1-CD2 4.32Å; A389-L418 HydrophobicContact CB-CD1 4.42Å; A389-L418 HydrophobicContact CB-CD2 3.82Å; A389-L418 HydrophobicContact CB-CG 3.65Å; A414-L418 VanDerWaalsContact O-CG 3.3Å; A414-L418 WeakPolarHBondContact O-CG 3.48Å; A414-L418 PolarHBondContact O-N 3.33Å; L415-L418 HydrophobicContact CD2-CD1 4.46Å; L415-L418 PolarHBondContact O-N 3.4Å; V416-L418 VanDerWaalsContact C-N 3.33Å; V416-L418 PolarHBondContact O-N 3.25Å; L418-N420 VanDerWaalsContact C-N 3.29Å; L418-N420 PolarHBondContact O-N 3.05Å; L418-A421 WeakPolarHBondContact O-CB 3.45Å; L418-A421 PolarHBondContact O-N 3.02Å; L418-L422 WeakPolarHBondContact O-CG 3.26Å; L418-L422 PolarHBondContact O-N 2.86Å; L418-L433 HydrophobicContact CD2-CD2 4.13Å; L418-L433 HydrophobicContact CD2-CG 3.83Å; L418-L436 HydrophobicContact CD1-CG 4.3Å; L418-L436 HydrophobicContact CD2-CB 4.34Å; L418-L436 HydrophobicContact CD2-CD2 4.12Å; L418-L436 HydrophobicContact CD2-CG 4.33Å; L418-R437 HydrophobicContact CD1-CB 3.88Å; L418-R437 HydrophobicContact CD1-CG 4.37Å |
| 419 | S | 96.1 | Very high | 93.9 | Very high | 64 Ų | 64 | 46.7 Ų | 46.7 | 45% | 0.448 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64 | -34.8 | 174.9 | -173 | 0 | 0 | 0 | 0 | 112.3 | L415 V416 | L415-S419 WeakPolarHBondContact O-CB 3.49Å; L415-S419 PolarHBondContact O-N 3.42Å; V416-S419 WeakPolarHBondContact O-CB 3.34Å; V416-S419 PolarHBondContact O-N 3.33Å |
| 420 | N | 95.6 | Very high | 93.6 | Very high | 53 Ų | 53 | 44.9 Ų | 44.9 | 28% | 0.283 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -72.1 | -41.3 | 174.1 | -68.1 | -24.5 | 0 | 0 | 0 | 110.9 | V416 S417 L418 L422 Q423 F424 | V416-N420 PolarHBondContact O-N 3.14Å; V416-N420 PolarHBondContact O-ND2 3.48Å; S417-N420 PolarHBondContact O-N 3.24Å; L418-N420 VanDerWaalsContact C-N 3.29Å; L418-N420 PolarHBondContact O-N 3.05Å; N420-L422 VanDerWaalsContact C-N 3.29Å; N420-L422 PolarHBondContact O-N 3.22Å; N420-Q423 WeakPolarHBondContact O-CB 3.29Å; N420-Q423 PolarHBondContact O-N 2.93Å; N420-Q423 VanDerWaalsContact O-N 3.08Å; N420-F424 VanDerWaalsContact O-CD2 3.24Å; N420-F424 WeakPolarHBondContact O-CD2 3.35Å; N420-F424 WeakPolarHBondContact O-CE2 3.32Å |
| 421 | A | 95 | Very high | 93.5 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57 | -41.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L382 H385 S417 L418 Q423 F424 L433 | L382-A421 HydrophobicContact CD1-CB 3.89Å; L382-A421 VanDerWaalsContact CD1-O 3.26Å; L382-A421 WeakPolarHBondContact CD1-O 3.45Å; H385-A421 HydrophobicContact CB-CB 3.87Å; S417-A421 PolarHBondContact O-N 3.19Å; L418-A421 WeakPolarHBondContact O-CB 3.45Å; L418-A421 PolarHBondContact O-N 3.02Å; A421-Q423 PolarHBondContact O-N 3.09Å; A421-Q423 VanDerWaalsContact O-N 3.17Å; A421-F424 PolarHBondContact O-N 3.4Å; A421-F424 VanDerWaalsContact O-N 3.11Å; A421-L433 HydrophobicContact CB-CD1 3.65Å |
| 422 | L | 94.6 | Very high | 93.2 | Very high | 48 Ų | 48 | 50.5 Ų | 50.5 | 25% | 0.251 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -18.3 | 177.1 | -76.7 | 164.6 | 0 | 0 | 0 | 114.5 | L418 N420 F424 D428 L433 | L418-L422 WeakPolarHBondContact O-CG 3.26Å; L418-L422 PolarHBondContact O-N 2.86Å; N420-L422 VanDerWaalsContact C-N 3.29Å; N420-L422 PolarHBondContact O-N 3.22Å; L422-F424 VanDerWaalsContact C-N 3.29Å; L422-D428 HydrophobicContact CD2-CB 4.42Å; L422-L433 HydrophobicContact CD1-CD2 4.12Å; L422-L433 HydrophobicContact CD2-CD1 4.27Å; L422-L433 HydrophobicContact CD2-CD2 3.73Å; L422-L433 HydrophobicContact CG-CD1 4.22Å; L422-L433 HydrophobicContact CG-CD2 3.75Å |
| 423 | Q | 93.1 | Very high | 93.1 | Very high | 145 Ų | 145 | 47.9 Ų | 47.9 | 68% | 0.678 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -18.8 | 176.7 | -63.2 | 171.9 | 19.8 | 0 | 0 | 112.4 | N420 A421 | N420-Q423 WeakPolarHBondContact O-CB 3.29Å; N420-Q423 PolarHBondContact O-N 2.93Å; N420-Q423 VanDerWaalsContact O-N 3.08Å; A421-Q423 PolarHBondContact O-N 3.09Å; A421-Q423 VanDerWaalsContact O-N 3.17Å |
| 424 | F | 90.3 | Very high | 93.1 | Very high | 72 Ų | 72 | 44.2 Ų | 44.2 | 32% | 0.316 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -89.2 | 139.8 | 176.8 | -64.2 | -89.8 | 0 | 0 | 0 | 110.1 | L382 H385 N420 A421 L422 G427 | L382-F424 HydrophobicContact CB-CB 3.86Å; L382-F424 HydrophobicContact CB-CG 4.19Å; L382-F424 HydrophobicContact CD1-CB 4.27Å; L382-F424 HydrophobicContact CG-CB 4.48Å; H385-F424 AromaticContact CD2-CE2 3.57Å; H385-F424 AromaticContact NE2-CE2 3.95Å; N420-F424 VanDerWaalsContact O-CD2 3.24Å; N420-F424 WeakPolarHBondContact O-CD2 3.35Å; N420-F424 WeakPolarHBondContact O-CE2 3.32Å; A421-F424 PolarHBondContact O-N 3.4Å; A421-F424 VanDerWaalsContact O-N 3.11Å; L422-F424 VanDerWaalsContact C-N 3.29Å; F424-G427 WeakPolarHBondContact O-CA 3.11Å; F424-G427 PolarHBondContact O-N 3.21Å |
| 425 | K | 86.2 | Confident | 93 | Very high | 145 Ų | 145 | 44.8 Ų | 44.8 | 63% | 0.63 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | 138.5 | 165.1 | -68.2 | -171.6 | 175.7 | -174.1 | 0 | 109.1 | Y45 | Y45-K425 WeakPolarHBondContact CE1-O 3.48Å; Y45-K425 HydrophobicContact CE2-CB 4.13Å; Y45-K425 PolarHBondContact OH-O 3.1Å |
| 426 | P | 87.6 | Confident | 92.9 | Very high | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -103 | 44.8 | 2.6 | 43 | -29.9 | 0 | 0 | 0 | 110.4 | R42 Y45 L46 D428 S429 | R42-P426 HydrophobicContact CB-CB 4.48Å; R42-P426 HydrophobicContact CG-CB 4.33Å; R42-P426 HydrophobicContact CG-CG 4.02Å; Y45-P426 VanDerWaalsContact CD1-CD 3.41Å; Y45-P426 HydrophobicContact CD1-CG 3.91Å; Y45-P426 HydrophobicContact CG-CG 4.18Å; L46-P426 HydrophobicContact CD2-CG 4.25Å; L46-P426 HydrophobicContact CG-CG 4.33Å; P426-D428 PolarHBondContact O-N 3.47Å; P426-S429 WeakPolarHBondContact CB-OG 3.46Å; P426-S429 WeakPolarHBondContact O-CB 3.32Å; P426-S429 PolarHBondContact O-N 3.46Å; P426-S429 PolarHBondContact O-OG 3.48Å |
| 427 | G | 86.6 | Confident | 92.9 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -58.3 | -32.8 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | F424 S429 L430 | F424-G427 WeakPolarHBondContact O-CA 3.11Å; F424-G427 PolarHBondContact O-N 3.21Å; G427-S429 PolarHBondContact O-N 3.26Å; G427-L430 PolarHBondContact O-N 3.36Å |
| 428 | D | 88.8 | Confident | 92.9 | Very high | 101 Ų | 101 | 43.9 Ų | 43.9 | 54% | 0.54 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -64.8 | -20.9 | 173.4 | 62.1 | -29.8 | 0 | 0 | 0 | 114.3 | L422 P426 H434 | L422-D428 HydrophobicContact CD2-CB 4.42Å; P426-D428 PolarHBondContact O-N 3.47Å; D428-H434 PolarHBondContact O-NE2 3.04Å |
| 429 | S | 90.1 | Very high | 92.8 | Very high | 14 Ų | 14 | 46.6 Ų | 46.6 | 10% | 0.098 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -98.8 | 4.4 | -179.5 | 74.2 | 0 | 0 | 0 | 0 | 114.5 | R42 P426 G427 P431 | R42-S429 WeakPolarHBondContact CB-OG 3.39Å; R42-S429 WeakPolarHBondContact CD-O 3.47Å; R42-S429 WeakPolarHBondContact CD-OG 3.18Å; R42-S429 WeakPolarHBondContact CG-OG 3.31Å; R42-S429 PolarHBondContact NH1-O 3.01Å; P426-S429 WeakPolarHBondContact CB-OG 3.46Å; P426-S429 WeakPolarHBondContact O-CB 3.32Å; P426-S429 PolarHBondContact O-N 3.46Å; P426-S429 PolarHBondContact O-OG 3.48Å; G427-S429 PolarHBondContact O-N 3.26Å; S429-P431 WeakPolarHBondContact O-CD 3.28Å |
| 430 | L | 91.4 | Very high | 92.8 | Very high | 25 Ų | 25 | 43.6 Ų | 43.6 | 13% | 0.131 | 21% | 0.209 | C | C | . | . | trans | -88.1 | 116.2 | 178.7 | -64.8 | -177.6 | 0 | 0 | 0 | 111.6 | R42 L46 L382 G427 D432 L433 H434 | R42-L430 HydrophobicContact CG-CD2 4.44Å; L46-L430 HydrophobicContact CD1-CD2 4.12Å; L46-L430 HydrophobicContact CD2-CD2 4.46Å; L382-L430 HydrophobicContact CD1-CD1 4.16Å; L382-L430 HydrophobicContact CD2-CD1 3.88Å; L382-L430 HydrophobicContact CG-CD1 4.19Å; G427-L430 PolarHBondContact O-N 3.36Å; L430-D432 PolarHBondContact O-N 3.22Å; L430-L433 HydrophobicContact CB-CB 4Å; L430-L433 PolarHBondContact O-N 2.8Å; L430-H434 PolarHBondContact O-CD2 3.17Å; L430-H434 VanDerWaalsContact O-CD2 3.27Å | ||
| 431 | P | 92.3 | Very high | 92.8 | Very high | 21 Ų | 21 | 41.7 Ų | 41.7 | 14% | 0.136 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.9 | -46.1 | 177.1 | -22 | 31.6 | 0 | 0 | 0 | 112.8 | S429 L433 H434 V435 A457 L460 E461 | S429-P431 WeakPolarHBondContact O-CD 3.28Å; P431-L433 PolarHBondContact O-N 2.79Å; P431-H434 PolarHBondContact O-N 3.37Å; P431-V435 WeakPolarHBondContact O-CG2 3.18Å; P431-V435 PolarHBondContact O-N 3.34Å; P431-A457 HydrophobicContact CB-CB 4.45Å; P431-L460 HydrophobicContact CG-CB 3.81Å; P431-E461 HydrophobicContact CB-CG 4.23Å; P431-E461 HydrophobicContact CG-CG 4.33Å |
| 432 | D | 91.5 | Very high | 92.7 | Very high | 101 Ų | 101 | 44.1 Ų | 44.1 | 54% | 0.54 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.1 | -35.6 | -177.1 | -64.8 | -12.3 | 0 | 0 | 0 | 112.9 | L430 L436 | L430-D432 PolarHBondContact O-N 3.22Å; D432-L436 VanDerWaalsContact O-CB 3.29Å; D432-L436 WeakPolarHBondContact O-CB 3.43Å; D432-L436 PolarHBondContact O-N 3.32Å |
| 433 | L | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.6 | -49 | 176.9 | -171.2 | 160.6 | 0 | 0 | 0 | 110 | L382 L386 L418 A421 L422 L430 P431 L436 R437 | L382-L433 HydrophobicContact CD1-CD1 4.5Å; L386-L433 HydrophobicContact CD1-CB 3.79Å; L386-L433 HydrophobicContact CD1-CD1 4.33Å; L386-L433 HydrophobicContact CD1-CG 3.99Å; L418-L433 HydrophobicContact CD2-CD2 4.13Å; L418-L433 HydrophobicContact CD2-CG 3.83Å; A421-L433 HydrophobicContact CB-CD1 3.65Å; L422-L433 HydrophobicContact CD1-CD2 4.12Å; L422-L433 HydrophobicContact CD2-CD1 4.27Å; L422-L433 HydrophobicContact CD2-CD2 3.73Å; L422-L433 HydrophobicContact CG-CD1 4.22Å; L422-L433 HydrophobicContact CG-CD2 3.75Å; L430-L433 HydrophobicContact CB-CB 4Å; L430-L433 PolarHBondContact O-N 2.8Å; P431-L433 PolarHBondContact O-N 2.79Å; L433-L436 PolarHBondContact O-N 2.7Å; L433-R437 WeakPolarHBondContact O-CB 3.29Å; L433-R437 PolarHBondContact O-N 2.82Å |
| 434 | H | 95.6 | Very high | 92.6 | Very high | 10 Ų | 10 | 39.8 Ų | 39.8 | 5% | 0.046 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.8 | -37.1 | 179.5 | -69.2 | -64.1 | 0 | 0 | 0 | 112.4 | D428 L430 P431 R437 G438 C453 A457 L460 | D428-H434 PolarHBondContact O-NE2 3.04Å; L430-H434 PolarHBondContact O-CD2 3.17Å; L430-H434 VanDerWaalsContact O-CD2 3.27Å; P431-H434 PolarHBondContact O-N 3.37Å; H434-R437 PolarHBondContact O-N 3.39Å; H434-G438 PolarHBondContact O-N 3.33Å; H434-C453 WeakPolarHBondContact O-CB 3.41Å; H434-A457 HydrophobicContact CB-CB 3.95Å; H434-L460 VanDerWaalsContact CD2-CD1 3.49Å; H434-L460 WeakPolarHBondContact CD2-CD1 3.45Å |
| 435 | V | 95.8 | Very high | 92.6 | Very high | 12 Ų | 12 | 38.3 Ų | 38.3 | 7% | 0.073 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.5 | -49.4 | 172.1 | 173 | 0 | 0 | 0 | 0 | 110.4 | P431 R437 G438 R439 F454 A457 T469 A470 | P431-V435 WeakPolarHBondContact O-CG2 3.18Å; P431-V435 PolarHBondContact O-N 3.34Å; V435-R437 VanDerWaalsContact C-N 3.33Å; V435-R437 PolarHBondContact O-N 3.38Å; V435-G438 PolarHBondContact O-N 3.38Å; V435-R439 WeakPolarHBondContact O-CG 3.24Å; V435-R439 PolarHBondContact O-N 2.85Å; V435-F454 HydrophobicContact CG1-CE1 4.37Å; V435-F454 WeakPolarHBondContact O-CE1 3.37Å; V435-A457 HydrophobicContact CG2-CB 3.63Å; V435-T469 HydrophobicContact CG1-CG2 3.85Å; V435-A470 HydrophobicContact CG2-CB 3.8Å |
| 436 | L | 95.6 | Very high | 92.9 | Very high | 16 Ų | 16 | 35 Ų | 35 | 8% | 0.084 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.1 | -39.5 | -179.2 | -174.1 | 58 | 0 | 0 | 0 | 111.8 | A389 Q390 Y393 L418 D432 L433 R439 C440 | A389-L436 HydrophobicContact CB-CD2 3.92Å; Q390-L436 HydrophobicContact CB-CD2 3.96Å; Y393-L436 HydrophobicContact CD1-CD1 3.97Å; Y393-L436 HydrophobicContact CD2-CD1 3.98Å; Y393-L436 HydrophobicContact CG-CD1 3.62Å; L418-L436 HydrophobicContact CD1-CG 4.3Å; L418-L436 HydrophobicContact CD2-CB 4.34Å; L418-L436 HydrophobicContact CD2-CD2 4.12Å; L418-L436 HydrophobicContact CD2-CG 4.33Å; D432-L436 VanDerWaalsContact O-CB 3.29Å; D432-L436 WeakPolarHBondContact O-CB 3.43Å; D432-L436 PolarHBondContact O-N 3.32Å; L433-L436 PolarHBondContact O-N 2.7Å; L436-R439 PolarHBondContact O-N 2.96Å; L436-C440 PolarHBondContact O-N 3.32Å; L436-C440 PolarHBondContact O-SG 2.88Å |
| 437 | R | 96.9 | Very high | 93.2 | Very high | 90 Ų | 90 | 36.7 Ų | 36.7 | 34% | 0.34 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.9 | -47.2 | 172.9 | -171.7 | 179.4 | 174.1 | -167.7 | -2.6 | 112 | L415 L418 L433 H434 V435 R439 C440 L441 | L415-R437 HydrophobicContact CD2-CG 4.23Å; L418-R437 HydrophobicContact CD1-CB 3.88Å; L418-R437 HydrophobicContact CD1-CG 4.37Å; L433-R437 WeakPolarHBondContact O-CB 3.29Å; L433-R437 PolarHBondContact O-N 2.82Å; H434-R437 PolarHBondContact O-N 3.39Å; V435-R437 VanDerWaalsContact C-N 3.33Å; V435-R437 PolarHBondContact O-N 3.38Å; R437-R439 VanDerWaalsContact C-N 3.32Å; R437-R439 PolarHBondContact O-N 2.95Å; R437-C440 WeakPolarHBondContact O-CB 3.14Å; R437-C440 PolarHBondContact O-N 3.43Å; R437-L441 HydrophobicContact CG-CD1 4.13Å; R437-L441 WeakPolarHBondContact O-CG 3.39Å; R437-L441 PolarHBondContact O-N 3.25Å |
| 438 | G | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.5 | -42.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | H434 V435 L441 L442 A450 | H434-G438 PolarHBondContact O-N 3.33Å; V435-G438 PolarHBondContact O-N 3.38Å; G438-L441 PolarHBondContact O-N 3.23Å; G438-L442 WeakPolarHBondContact O-CB 3.48Å; G438-L442 PolarHBondContact O-N 3.35Å; G438-A450 VanDerWaalsContact O-CB 3.29Å; G438-A450 WeakPolarHBondContact O-CB 3.49Å |
| 439 | R | 95.1 | Very high | 93.7 | Very high | 58 Ų | 58 | 42 Ų | 42 | 22% | 0.219 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.2 | -44.5 | 175.2 | -71 | 176.5 | 177.6 | -166.8 | -0.1 | 112.3 | Y393 V435 L436 R437 L441 L442 I443 F454 | Y393-R439 HydrophobicContact CD2-CB 4.46Å; Y393-R439 HydrophobicContact CE2-CB 3.62Å; V435-R439 WeakPolarHBondContact O-CG 3.24Å; V435-R439 PolarHBondContact O-N 2.85Å; L436-R439 PolarHBondContact O-N 2.96Å; R437-R439 VanDerWaalsContact C-N 3.32Å; R437-R439 PolarHBondContact O-N 2.95Å; R439-L441 VanDerWaalsContact C-N 3.34Å; R439-L441 PolarHBondContact O-N 2.93Å; R439-L442 PolarHBondContact O-N 2.96Å; R439-I443 WeakPolarHBondContact O-CD1 3.48Å; R439-I443 WeakPolarHBondContact O-CG1 3.48Å; R439-I443 PolarHBondContact O-N 3.3Å; R439-I443 VanDerWaalsContact O-N 3.12Å; R439-F454 HydrophobicContact CG-CE1 4.21Å; R439-F454 HydrophobicContact CG-CZ 4.19Å |
| 440 | C | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.5 | -44.4 | 175.5 | -66.4 | 0 | 0 | 0 | 0 | 111.8 | I411 L415 L436 R437 I443 K444 | I411-C440 HydrophobicContact CG2-CB 4.14Å; L415-C440 HydrophobicContact CD2-CB 3.55Å; L415-C440 HydrophobicContact CG-CB 3.9Å; L436-C440 PolarHBondContact O-N 3.32Å; L436-C440 PolarHBondContact O-SG 2.88Å; R437-C440 WeakPolarHBondContact O-CB 3.14Å; R437-C440 PolarHBondContact O-N 3.43Å; C440-I443 PolarHBondContact O-N 3.05Å; C440-K444 PolarHBondContact O-N 3.39Å |
| 441 | L | 95.4 | Very high | 94.1 | Very high | 13 Ų | 13 | 40.2 Ų | 40.2 | 7% | 0.068 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.9 | -38.2 | 178.9 | -69.1 | 169.7 | 0 | 0 | 0 | 112.2 | L415 R437 G438 R439 I443 K444 G445 E446 N449 A450 | L415-L441 HydrophobicContact CD1-CD2 4.44Å; L415-L441 HydrophobicContact CD2-CD2 4.29Å; L415-L441 HydrophobicContact CD2-CG 4.29Å; R437-L441 HydrophobicContact CG-CD1 4.13Å; R437-L441 WeakPolarHBondContact O-CG 3.39Å; R437-L441 PolarHBondContact O-N 3.25Å; G438-L441 PolarHBondContact O-N 3.23Å; R439-L441 VanDerWaalsContact C-N 3.34Å; R439-L441 PolarHBondContact O-N 2.93Å; L441-I443 VanDerWaalsContact C-N 3.33Å; L441-I443 PolarHBondContact O-N 3.45Å; L441-K444 CarbonylContact O-C 3.6Å; L441-K444 PolarHBondContact O-N 3.14Å; L441-K444 VanDerWaalsContact O-N 3.11Å; L441-G445 PolarHBondContact O-N 3.12Å; L441-E446 HydrophobicContact CB-CB 4.29Å; L441-E446 HydrophobicContact CD2-CB 4.45Å; L441-E446 PolarHBondContact O-N 3.41Å; L441-N449 HydrophobicContact CD1-CB 3.95Å; L441-A450 HydrophobicContact CB-CB 4.05Å |
| 442 | L | 93.4 | Very high | 94.2 | Very high | 51 Ų | 51 | 43.7 Ų | 43.7 | 27% | 0.267 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.2 | -43.1 | 176.4 | -174 | 63.6 | 0 | 0 | 0 | 111.4 | G438 R439 K444 G445 E447 A450 T477 | G438-L442 WeakPolarHBondContact O-CB 3.48Å; G438-L442 PolarHBondContact O-N 3.35Å; R439-L442 PolarHBondContact O-N 2.96Å; L442-K444 PolarHBondContact O-N 2.85Å; L442-G445 PolarHBondContact O-N 3.25Å; L442-E447 HydrophobicContact CD1-CG 3.95Å; L442-A450 HydrophobicContact CB-CB 4.01Å; L442-T477 HydrophobicContact CD1-CG2 4.09Å |
| 443 | I | 92.7 | Very high | 94.5 | Very high | 28 Ų | 28 | 39.2 Ų | 39.2 | 14% | 0.144 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.2 | -31.1 | 176 | -67.7 | 157.2 | 0 | 0 | 0 | 111.8 | Y393 V397 M405 I411 R439 C440 L441 G445 | Y393-I443 HydrophobicContact CD2-CD1 4.09Å; Y393-I443 HydrophobicContact CE2-CD1 3.39Å; V397-I443 HydrophobicContact CG1-CD1 3.31Å; V397-I443 HydrophobicContact CG1-CG1 4.35Å; M405-I443 HydrophobicContact CB-CG2 3.54Å; M405-I443 HydrophobicContact CG-CG2 3.74Å; M405-I443 HydrophobicContact SD-CG2 3.98Å; I411-I443 HydrophobicContact CD1-CD1 4.29Å; I411-I443 HydrophobicContact CG1-CG2 4.39Å; R439-I443 WeakPolarHBondContact O-CD1 3.48Å; R439-I443 WeakPolarHBondContact O-CG1 3.48Å; R439-I443 PolarHBondContact O-N 3.3Å; R439-I443 VanDerWaalsContact O-N 3.12Å; C440-I443 PolarHBondContact O-N 3.05Å; L441-I443 VanDerWaalsContact C-N 3.33Å; L441-I443 PolarHBondContact O-N 3.45Å; I443-G445 PolarHBondContact O-N 3.04Å |
| 444 | K | 92.6 | Very high | 94.5 | Very high | 74 Ų | 74 | 39.2 Ų | 39.2 | 32% | 0.322 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -4.3 | 175 | -68.9 | -166.1 | 69.6 | 170.1 | 0 | 114.1 | I411 N412 L415 C440 L441 L442 | I411-K444 HydrophobicContact CG2-CD 4.27Å; I411-K444 HydrophobicContact CG2-CG 4.03Å; N412-K444 PolarHBondContact OD1-NZ 3.05Å; L415-K444 HydrophobicContact CD1-CD 3.73Å; C440-K444 PolarHBondContact O-N 3.39Å; L441-K444 CarbonylContact O-C 3.6Å; L441-K444 PolarHBondContact O-N 3.14Å; L441-K444 VanDerWaalsContact O-N 3.11Å; L442-K444 PolarHBondContact O-N 2.85Å |
| 445 | G | 90.3 | Very high | 94.5 | Very high | 42 Ų | 42 | 39.4 Ų | 39.4 | 43% | 0.433 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 29.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L441 L442 I443 | L441-G445 PolarHBondContact O-N 3.12Å; L442-G445 PolarHBondContact O-N 3.25Å; I443-G445 PolarHBondContact O-N 3.04Å |
| 446 | E | 92.8 | Very high | 94.4 | Very high | 74 Ų | 74 | 42.9 Ų | 42.9 | 35% | 0.346 | 21% | 0.21 | S | C | . | . | trans | -104.1 | 64.8 | 172.2 | -65.6 | -174.4 | -148.4 | 0 | 0 | 110.3 | L441 Q448 N449 A450 | L441-E446 HydrophobicContact CB-CB 4.29Å; L441-E446 HydrophobicContact CD2-CB 4.45Å; L441-E446 PolarHBondContact O-N 3.41Å; E446-Q448 VanDerWaalsContact C-N 3.31Å; E446-Q448 PolarHBondContact O-N 3.11Å; E446-N449 HydrophobicContact CB-CB 4.28Å; E446-N449 PolarHBondContact O-N 2.96Å; E446-N449 PolarHBondContact OE2-ND2 2.66Å; E446-A450 WeakPolarHBondContact O-CB 3.2Å; E446-A450 PolarHBondContact O-N 3.27Å | ||
| 447 | E | 92.4 | Very high | 94.3 | Very high | 41 Ų | 41 | 42.1 Ų | 42.1 | 19% | 0.192 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.8 | -35.8 | -171.2 | -64.1 | 90.5 | 160.4 | 0 | 0 | 113.3 | L442 A450 A451 T477 L481 Q484 | L442-E447 HydrophobicContact CD1-CG 3.95Å; E447-A450 PolarHBondContact O-N 3.49Å; E447-A451 WeakPolarHBondContact O-CB 3.4Å; E447-A451 PolarHBondContact O-N 3.39Å; E447-T477 HydrophobicContact CB-CG2 4.13Å; E447-T477 VanDerWaalsContact O-CG2 3.27Å; E447-T477 WeakPolarHBondContact O-CG2 3.48Å; E447-L481 HydrophobicContact CB-CD1 4.45Å; E447-L481 HydrophobicContact CB-CD2 3.57Å; E447-L481 HydrophobicContact CB-CG 3.88Å; E447-Q484 PolarHBondContact OE1-NE2 3.44Å |
| 448 | Q | 91.8 | Very high | 94 | Very high | 128 Ų | 128 | 37.8 Ų | 37.8 | 60% | 0.598 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -65.8 | -47 | 178.5 | -70.1 | 172.4 | -13.5 | 0 | 0 | 111.5 | E446 A450 A451 E452 L481 | E446-Q448 VanDerWaalsContact C-N 3.31Å; E446-Q448 PolarHBondContact O-N 3.11Å; Q448-A450 VanDerWaalsContact C-N 3.33Å; Q448-A450 PolarHBondContact O-N 3.49Å; Q448-A451 PolarHBondContact O-N 3.23Å; Q448-E452 PolarHBondContact O-N 3.24Å; Q448-E452 VanDerWaalsContact O-N 3.11Å; Q448-L481 HydrophobicContact CG-CD1 4.49Å; Q448-L481 HydrophobicContact CG-CD2 3.95Å |
| 449 | N | 94.3 | Very high | 93.7 | Very high | 83 Ų | 83 | 41.8 Ų | 41.8 | 44% | 0.444 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -67.8 | -36.5 | 178.2 | -66.1 | -25.8 | 0 | 0 | 0 | 111.2 | L441 E446 E452 C453 | L441-N449 HydrophobicContact CD1-CB 3.95Å; E446-N449 HydrophobicContact CB-CB 4.28Å; E446-N449 PolarHBondContact O-N 2.96Å; E446-N449 PolarHBondContact OE2-ND2 2.66Å; N449-E452 PolarHBondContact O-N 3.34Å; N449-C453 PolarHBondContact O-N 2.77Å; N449-C453 VanDerWaalsContact O-N 3.13Å; N449-C453 PolarHBondContact O-SG 3.42Å |
| 450 | A | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.4 | -45.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G438 L441 L442 E446 E447 Q448 E452 C453 F454 T477 | G438-A450 VanDerWaalsContact O-CB 3.29Å; G438-A450 WeakPolarHBondContact O-CB 3.49Å; L441-A450 HydrophobicContact CB-CB 4.05Å; L442-A450 HydrophobicContact CB-CB 4.01Å; E446-A450 WeakPolarHBondContact O-CB 3.2Å; E446-A450 PolarHBondContact O-N 3.27Å; E447-A450 PolarHBondContact O-N 3.49Å; Q448-A450 VanDerWaalsContact C-N 3.33Å; Q448-A450 PolarHBondContact O-N 3.49Å; A450-E452 VanDerWaalsContact C-N 3.35Å; A450-E452 PolarHBondContact O-N 3.48Å; A450-C453 WeakPolarHBondContact O-CB 3.31Å; A450-C453 PolarHBondContact O-N 2.89Å; A450-C453 VanDerWaalsContact O-N 3.15Å; A450-F454 HydrophobicContact CB-CE2 4.03Å; A450-F454 WeakPolarHBondContact O-CD2 3.43Å; A450-F454 WeakPolarHBondContact O-CG 3.28Å; A450-F454 PolarHBondContact O-N 3.49Å; A450-T477 HydrophobicContact CB-CG2 4.38Å |
| 451 | A | 94.5 | Very high | 93 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 2% | 0.017 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.8 | -44.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E447 Q448 C453 F454 K455 L474 T477 L478 L481 | E447-A451 WeakPolarHBondContact O-CB 3.4Å; E447-A451 PolarHBondContact O-N 3.39Å; Q448-A451 PolarHBondContact O-N 3.23Å; A451-C453 VanDerWaalsContact C-N 3.33Å; A451-C453 PolarHBondContact O-N 2.96Å; A451-F454 PolarHBondContact O-N 3.35Å; A451-K455 VanDerWaalsContact O-CG 3.22Å; A451-K455 WeakPolarHBondContact O-CG 3.37Å; A451-K455 PolarHBondContact O-N 2.89Å; A451-L474 HydrophobicContact CB-CD1 4.21Å; A451-T477 HydrophobicContact CB-CG2 4Å; A451-L478 HydrophobicContact CB-CD2 4.46Å; A451-L481 HydrophobicContact CB-CD1 4.31Å |
| 452 | E | 95.7 | Very high | 92.3 | Very high | 95 Ų | 95 | 42.3 Ų | 42.3 | 44% | 0.444 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.5 | -39.8 | 175.5 | -66.1 | -51.7 | 132.4 | 0 | 0 | 112.7 | Q448 N449 A450 K455 Q456 | Q448-E452 PolarHBondContact O-N 3.24Å; Q448-E452 VanDerWaalsContact O-N 3.11Å; N449-E452 PolarHBondContact O-N 3.34Å; A450-E452 VanDerWaalsContact C-N 3.35Å; A450-E452 PolarHBondContact O-N 3.48Å; E452-K455 WeakPolarHBondContact O-CB 3.34Å; E452-K455 PolarHBondContact O-N 3.26Å; E452-K455 IonicContact OE1-NZ 2.65Å; E452-K455 PolarHBondContact OE1-NZ 3.32Å; E452-K455 IonicContact OE2-NZ 3.99Å; E452-Q456 WeakPolarHBondContact O-CG 3.39Å; E452-Q456 PolarHBondContact O-N 3.13Å |
| 453 | C | 96.3 | Very high | 91.8 | Very high | 6 Ų | 6 | 43.6 Ų | 43.6 | 4% | 0.041 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.2 | -43.1 | 175.4 | -63.7 | 0 | 0 | 0 | 0 | 111.8 | H434 N449 A450 A451 Q456 A457 | H434-C453 WeakPolarHBondContact O-CB 3.41Å; N449-C453 PolarHBondContact O-N 2.77Å; N449-C453 VanDerWaalsContact O-N 3.13Å; N449-C453 PolarHBondContact O-SG 3.42Å; A450-C453 WeakPolarHBondContact O-CB 3.31Å; A450-C453 PolarHBondContact O-N 2.89Å; A450-C453 VanDerWaalsContact O-N 3.15Å; A451-C453 VanDerWaalsContact C-N 3.33Å; A451-C453 PolarHBondContact O-N 2.96Å; C453-Q456 PolarHBondContact O-N 2.86Å; C453-A457 PolarHBondContact O-N 3.26Å |
| 454 | F | 96.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.5 | -34.2 | 178.2 | -58.3 | -49 | 0 | 0 | 0 | 112.7 | V435 R439 A450 A451 A457 M458 C473 L474 T477 | V435-F454 HydrophobicContact CG1-CE1 4.37Å; V435-F454 WeakPolarHBondContact O-CE1 3.37Å; R439-F454 HydrophobicContact CG-CE1 4.21Å; R439-F454 HydrophobicContact CG-CZ 4.19Å; A450-F454 HydrophobicContact CB-CE2 4.03Å; A450-F454 WeakPolarHBondContact O-CD2 3.43Å; A450-F454 WeakPolarHBondContact O-CG 3.28Å; A450-F454 PolarHBondContact O-N 3.49Å; A451-F454 PolarHBondContact O-N 3.35Å; F454-A457 PolarHBondContact O-N 3.26Å; F454-M458 WeakPolarHBondContact O-CG 3.42Å; F454-M458 PolarHBondContact O-N 3.06Å; F454-C473 HydrophobicContact CD1-CB 3.58Å; F454-C473 HydrophobicContact CD2-CB 3.92Å; F454-C473 HydrophobicContact CE1-CB 3.42Å; F454-C473 VanDerWaalsContact CE1-CB 3.42Å; F454-C473 HydrophobicContact CE2-CB 3.78Å; F454-C473 HydrophobicContact CG-CB 3.84Å; F454-C473 HydrophobicContact CZ-CB 3.53Å; F454-L474 HydrophobicContact CB-CB 3.79Å; F454-L474 HydrophobicContact CB-CD1 4.12Å; F454-L474 HydrophobicContact CB-CG 4.49Å; F454-T477 WeakPolarHBondContact CE2-OG1 3.37Å |
| 455 | K | 94.7 | Very high | 90.5 | Very high | 14 Ų | 14 | 42.4 Ų | 42.4 | 6% | 0.061 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.6 | -47.7 | 171.7 | -70.1 | 172.5 | -169.4 | 172.5 | 0 | 111.2 | A451 E452 M458 E459 L474 W499 | A451-K455 VanDerWaalsContact O-CG 3.22Å; A451-K455 WeakPolarHBondContact O-CG 3.37Å; A451-K455 PolarHBondContact O-N 2.89Å; E452-K455 WeakPolarHBondContact O-CB 3.34Å; E452-K455 PolarHBondContact O-N 3.26Å; E452-K455 IonicContact OE1-NZ 2.65Å; E452-K455 PolarHBondContact OE1-NZ 3.32Å; E452-K455 IonicContact OE2-NZ 3.99Å; K455-M458 PolarHBondContact O-N 3.13Å; K455-E459 WeakPolarHBondContact O-CG 3.26Å; K455-E459 PolarHBondContact O-N 2.94Å; K455-E459 VanDerWaalsContact O-N 3.07Å; K455-L474 HydrophobicContact CG-CD1 3.8Å; K455-L474 HydrophobicContact CG-CD2 3.99Å; K455-W499 HydrophobicContact CB-CH2 3.61Å; K455-W499 HydrophobicContact CB-CZ2 3.5Å; K455-W499 VanDerWaalsContact CB-CZ2 3.5Å; K455-W499 HydrophobicContact CB-CZ3 4.35Å; K455-W499 HydrophobicContact CD-CZ2 3.69Å; K455-W499 HydrophobicContact CG-CD2 4.15Å; K455-W499 VanDerWaalsContact CG-CE2 3.47Å; K455-W499 HydrophobicContact CG-CH2 3.95Å; K455-W499 HydrophobicContact CG-CZ2 3.4Å; K455-W499 VanDerWaalsContact CG-CZ2 3.4Å |
| 456 | Q | 93.4 | Very high | 89.9 | Confident | 85 Ų | 85 | 45.3 Ų | 45.3 | 40% | 0.397 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.3 | -45.4 | 175.8 | -72.8 | 179 | -17.7 | 0 | 0 | 111.3 | E452 C453 M458 E459 L460 | E452-Q456 WeakPolarHBondContact O-CG 3.39Å; E452-Q456 PolarHBondContact O-N 3.13Å; C453-Q456 PolarHBondContact O-N 2.86Å; Q456-M458 PolarHBondContact O-N 2.99Å; Q456-E459 PolarHBondContact O-N 3.27Å; Q456-L460 VanDerWaalsContact O-CG 3.29Å; Q456-L460 WeakPolarHBondContact O-CG 3.48Å; Q456-L460 PolarHBondContact O-N 3.48Å; Q456-L460 VanDerWaalsContact O-N 3.16Å |
| 457 | A | 93.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.8 | -48.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | P431 H434 V435 C453 F454 E459 L460 E461 A470 | P431-A457 HydrophobicContact CB-CB 4.45Å; H434-A457 HydrophobicContact CB-CB 3.95Å; V435-A457 HydrophobicContact CG2-CB 3.63Å; C453-A457 PolarHBondContact O-N 3.26Å; F454-A457 PolarHBondContact O-N 3.26Å; A457-E459 VanDerWaalsContact C-N 3.28Å; A457-E459 PolarHBondContact O-N 3.33Å; A457-L460 PolarHBondContact O-N 3.27Å; A457-L460 VanDerWaalsContact O-N 3.12Å; A457-E461 PolarHBondContact O-N 3.41Å; A457-A470 HydrophobicContact CB-CB 3.73Å |
| 458 | M | 91.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.8 | -32.8 | 177.5 | -75.6 | -177.3 | 68.7 | 0 | 0 | 113.6 | F454 K455 Q456 L460 E461 A470 L471 L474 W499 A503 R506 Y507 | F454-M458 WeakPolarHBondContact O-CG 3.42Å; F454-M458 PolarHBondContact O-N 3.06Å; K455-M458 PolarHBondContact O-N 3.13Å; Q456-M458 PolarHBondContact O-N 2.99Å; M458-L460 VanDerWaalsContact C-N 3.29Å; M458-E461 PolarHBondContact O-N 3.4Å; M458-A470 HydrophobicContact CG-CB 3.65Å; M458-L471 HydrophobicContact CE-CB 4.12Å; M458-L471 HydrophobicContact CE-CD1 3.63Å; M458-L471 HydrophobicContact CE-CG 4.43Å; M458-L471 HydrophobicContact SD-CB 4.19Å; M458-L471 HydrophobicContact SD-CD1 4.11Å; M458-L474 HydrophobicContact SD-CB 4.11Å; M458-L474 HydrophobicContact SD-CD2 3.37Å; M458-L474 WeakPolarHBondContact SD-CD2 3.46Å; M458-L474 HydrophobicContact SD-CG 4.37Å; M458-W499 HydrophobicContact CB-CZ3 4.24Å; M458-W499 HydrophobicContact CE-CE3 4.18Å; M458-W499 HydrophobicContact SD-CE3 4.18Å; M458-A503 HydrophobicContact CE-CB 4.04Å; M458-R506 WeakPolarHBondContact O-CD 3.48Å; M458-Y507 HydrophobicContact CE-CE2 4.02Å |
| 459 | E | 89.6 | Confident | 89.3 | Confident | 83 Ų | 83 | 40 Ų | 40 | 39% | 0.388 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -71.6 | -27.7 | 177.3 | -73.5 | -176.9 | 162.7 | 0 | 0 | 112.8 | K455 Q456 A457 W499 K502 R506 | K455-E459 WeakPolarHBondContact O-CG 3.26Å; K455-E459 PolarHBondContact O-N 2.94Å; K455-E459 VanDerWaalsContact O-N 3.07Å; Q456-E459 PolarHBondContact O-N 3.27Å; A457-E459 VanDerWaalsContact C-N 3.28Å; A457-E459 PolarHBondContact O-N 3.33Å; E459-W499 HydrophobicContact CG-CH2 3.77Å; E459-W499 HydrophobicContact CG-CZ3 4.05Å; E459-W499 VanDerWaalsContact OE1-CH2 3.29Å; E459-W499 WeakPolarHBondContact OE1-CH2 2.99Å; E459-K502 IonicContact OE1-NZ 3.4Å; E459-K502 PolarHBondContact OE1-NZ 3.2Å; E459-R506 PolarHBondContact O-NH1 3.49Å |
| 460 | L | 89.2 | Confident | 89.2 | Confident | 20 Ų | 20 | 36.1 Ų | 36.1 | 11% | 0.105 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -86.4 | -7.2 | 177.5 | -64.6 | 168.8 | 0 | 0 | 0 | 113.5 | L39 R42 P431 H434 Q456 A457 M458 | L39-L460 WeakPolarHBondContact CD2-O 3.38Å; R42-L460 PolarHBondContact NH1-O 3Å; R42-L460 VanDerWaalsContact NH1-O 3.11Å; P431-L460 HydrophobicContact CG-CB 3.81Å; H434-L460 VanDerWaalsContact CD2-CD1 3.49Å; H434-L460 WeakPolarHBondContact CD2-CD1 3.45Å; Q456-L460 VanDerWaalsContact O-CG 3.29Å; Q456-L460 WeakPolarHBondContact O-CG 3.48Å; Q456-L460 PolarHBondContact O-N 3.48Å; Q456-L460 VanDerWaalsContact O-N 3.16Å; A457-L460 PolarHBondContact O-N 3.27Å; A457-L460 VanDerWaalsContact O-N 3.12Å; M458-L460 VanDerWaalsContact C-N 3.29Å |
| 461 | E | 86.3 | Confident | 89.1 | Confident | 13 Ų | 13 | 36.1 Ų | 36.1 | 6% | 0.061 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -76.9 | 144.2 | 173.1 | -75.1 | -171.6 | -146.2 | 0 | 0 | 112 | P431 A457 M458 A470 Y507 | P431-E461 HydrophobicContact CB-CG 4.23Å; P431-E461 HydrophobicContact CG-CG 4.33Å; A457-E461 PolarHBondContact O-N 3.41Å; M458-E461 PolarHBondContact O-N 3.4Å; E461-A470 WeakPolarHBondContact OE1-CB 3.46Å; E461-Y507 PolarHBondContact OE1-OH 3.15Å; E461-Y507 WeakPolarHBondContact OE2-CE1 3.41Å; E461-Y507 PolarHBondContact OE2-OH 3.41Å |
| 462 | R | 82.1 | Confident | 88.9 | Confident | 49 Ų | 49 | 39.2 Ų | 39.2 | 19% | 0.185 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -71.3 | 142.7 | 179.1 | -68.6 | -168.9 | -169.3 | -173.7 | 22.4 | 110.6 | L39 D43 D162 G464 S465 | L39-R462 HydrophobicContact CD1-CG 3.82Å; D43-R462 IonicContact OD1-NH2 3.4Å; D43-R462 PolarHBondContact OD1-NH2 3Å; D43-R462 IonicContact OD2-CZ 3.27Å; D43-R462 IonicContact OD2-NE 2.74Å; D43-R462 IonicContact OD2-NH1 2.8Å; D43-R462 IonicContact OD2-NH2 2.69Å; D43-R462 PolarHBondContact OD2-NH2 2.86Å; D162-R462 IonicContact OD1-CZ 2.89Å; D162-R462 IonicContact OD1-NE 3.17Å; D162-R462 IonicContact OD1-NH1 3.51Å; D162-R462 PolarHBondContact OD1-NH1 2.78Å; D162-R462 IonicContact OD1-NH2 3.9Å; D162-R462 WeakPolarHBondContact OD2-CD 3.37Å; D162-R462 IonicContact OD2-CZ 3.11Å; D162-R462 IonicContact OD2-NE 3.61Å; D162-R462 IonicContact OD2-NH1 3.73Å; D162-R462 PolarHBondContact OD2-NH1 3.5Å; R462-G464 PolarHBondContact O-N 3.4Å; R462-S465 VanDerWaalsContact O-CB 3.25Å; R462-S465 WeakPolarHBondContact O-CB 3.46Å; R462-S465 PolarHBondContact O-N 2.91Å; R462-S465 VanDerWaalsContact O-N 3.09Å |
| 463 | P | 81.6 | Confident | 88.8 | Confident | 79 Ų | 79 | 35.4 Ų | 35.4 | 51% | 0.513 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 132.8 | 165.7 | -21.1 | 32.8 | 0 | 0 | 0 | 110.4 | R506 | P463-R506 CarbonylContact C-O 3.56Å; P463-R506 WeakPolarHBondContact CA-O 3.46Å |
| 464 | G | 78.1 | Confident | 88.7 | Confident | 50 Ų | 50 | 35.1 Ų | 35.1 | 52% | 0.515 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | 3.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | R462 R506 | R462-G464 PolarHBondContact O-N 3.4Å; G464-R506 PolarHBondContact N-O 3.32Å |
| 465 | S | 79.8 | Confident | 88.5 | Confident | 27 Ų | 27 | 35.3 Ų | 35.3 | 19% | 0.189 | 20% | 0.202 | C | C | . | . | trans | -52.8 | 143.8 | 175.1 | -179.7 | 0 | 0 | 0 | 0 | 111.8 | R462 D467 Y507 | R462-S465 VanDerWaalsContact O-CB 3.25Å; R462-S465 WeakPolarHBondContact O-CB 3.46Å; R462-S465 PolarHBondContact O-N 2.91Å; R462-S465 VanDerWaalsContact O-N 3.09Å; S465-D467 PolarHBondContact OG-N 3.38Å; S465-Y507 WeakPolarHBondContact O-CD1 3.31Å | ||
| 466 | T | 79 | Confident | 88.4 | Confident | 102 Ų | 102 | 35.6 Ų | 35.6 | 63% | 0.626 | 21% | 0.205 | S | C | * | . | trans | -98.5 | -12 | 171.3 | 57 | 0 | 0 | 0 | 0 | 112.7 | T468 | T466-T468 PolarHBondContact O-N 3.01Š| ||
| 467 | D | 84.4 | Confident | 88.3 | Confident | 67 Ų | 67 | 31.5 Ų | 31.5 | 36% | 0.358 | 19% | 0.186 | S | C | . | . | trans | -77.6 | 116.3 | 175.9 | -171.5 | -4.9 | 0 | 0 | 0 | 109 | S465 T469 Y507 | S465-D467 PolarHBondContact OG-N 3.38Å; D467-T469 WeakPolarHBondContact OD1-CB 3.24Å; D467-T469 PolarHBondContact OD1-N 2.89Å; D467-T469 PolarHBondContact OD1-OG1 3.27Å; D467-Y507 VanDerWaalsContact O-CE1 3.31Å; D467-Y507 WeakPolarHBondContact O-CE1 3.45Å | ||
| 468 | T | 88.4 | Confident | 88.2 | Confident | 22 Ų | 22 | 31.5 Ų | 31.5 | 14% | 0.135 | 19% | 0.186 | C | C | . | . | trans | -101.8 | 7 | -178.5 | 51.8 | 0 | 0 | 0 | 0 | 112.5 | T466 A470 L471 H472 T511 E515 | T466-T468 PolarHBondContact O-N 3.01Å; T468-A470 PolarHBondContact O-N 3.42Å; T468-L471 WeakPolarHBondContact O-CB 3.37Å; T468-L471 PolarHBondContact O-N 3.4Å; T468-L471 VanDerWaalsContact O-N 3.16Å; T468-H472 WeakPolarHBondContact O-CB 3.45Å; T468-H472 PolarHBondContact O-N 3.28Å; T468-T511 HydrophobicContact CG2-CG2 3.13Å; T468-E515 VanDerWaalsContact CB-OE1 3.25Å; T468-E515 WeakPolarHBondContact CB-OE1 3.36Å; T468-E515 HydrophobicContact CG2-CG 3.72Å; T468-E515 PolarHBondContact OG1-OE1 3.38Å | ||
| 469 | T | 90.7 | Very high | 88.1 | Confident | 44 Ų | 44 | 31.5 Ų | 31.5 | 27% | 0.27 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -58.9 | -45.5 | -169.3 | -59 | 0 | 0 | 0 | 0 | 112.3 | V435 D467 H472 C473 | V435-T469 HydrophobicContact CG1-CG2 3.85Å; D467-T469 WeakPolarHBondContact OD1-CB 3.24Å; D467-T469 PolarHBondContact OD1-N 2.89Å; D467-T469 PolarHBondContact OD1-OG1 3.27Å; T469-H472 PolarHBondContact O-N 3.25Å; T469-C473 WeakPolarHBondContact O-CB 3.28Å; T469-C473 PolarHBondContact O-N 2.85Å; T469-C473 PolarHBondContact O-SG 3.01Å; T469-C473 VanDerWaalsContact O-SG 3.37Å |
| 470 | A | 91.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.3 | -42.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | V435 A457 M458 E461 T468 C473 L474 | V435-A470 HydrophobicContact CG2-CB 3.8Å; A457-A470 HydrophobicContact CB-CB 3.73Å; M458-A470 HydrophobicContact CG-CB 3.65Å; E461-A470 WeakPolarHBondContact OE1-CB 3.46Å; T468-A470 PolarHBondContact O-N 3.42Å; A470-C473 PolarHBondContact O-N 3.48Å; A470-L474 WeakPolarHBondContact O-CB 3.44Å; A470-L474 PolarHBondContact O-N 3.11Å |
| 471 | L | 93.2 | Very high | 88.1 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.6 | -48.3 | 175.6 | 173.8 | 61.9 | 0 | 0 | 0 | 111.4 | M458 T468 L474 L475 A503 Y507 E515 | M458-L471 HydrophobicContact CE-CB 4.12Å; M458-L471 HydrophobicContact CE-CD1 3.63Å; M458-L471 HydrophobicContact CE-CG 4.43Å; M458-L471 HydrophobicContact SD-CB 4.19Å; M458-L471 HydrophobicContact SD-CD1 4.11Å; T468-L471 WeakPolarHBondContact O-CB 3.37Å; T468-L471 PolarHBondContact O-N 3.4Å; T468-L471 VanDerWaalsContact O-N 3.16Å; L471-L474 PolarHBondContact O-N 3.37Å; L471-L475 HydrophobicContact CD1-CD1 3.83Å; L471-L475 HydrophobicContact CD1-CD2 4.44Å; L471-L475 HydrophobicContact CD1-CG 3.9Å; L471-L475 HydrophobicContact CG-CD1 4.02Å; L471-L475 HydrophobicContact CG-CG 4.45Å; L471-L475 VanDerWaalsContact O-CG 3.31Å; L471-L475 WeakPolarHBondContact O-CG 3.35Å; L471-L475 PolarHBondContact O-N 2.92Å; L471-A503 HydrophobicContact CD1-CB 3.74Å; L471-A503 HydrophobicContact CD2-CB 4.02Å; L471-Y507 HydrophobicContact CB-CE2 4.31Å; L471-Y507 HydrophobicContact CD2-CD2 4.19Å; L471-Y507 HydrophobicContact CD2-CE2 4.19Å; L471-E515 HydrophobicContact CD2-CB 4.31Å; L471-E515 HydrophobicContact CD2-CG 4.21Å |
| 472 | H | 91.9 | Very high | 88.2 | Confident | 66 Ų | 66 | 29.7 Ų | 29.7 | 31% | 0.306 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -57.6 | -52.6 | 178.8 | -175.8 | 82.6 | 0 | 0 | 0 | 111 | T468 T469 L474 L475 V476 E515 | T468-H472 WeakPolarHBondContact O-CB 3.45Å; T468-H472 PolarHBondContact O-N 3.28Å; T469-H472 PolarHBondContact O-N 3.25Å; H472-L474 VanDerWaalsContact C-N 3.33Å; H472-L474 PolarHBondContact O-N 2.93Å; H472-L475 PolarHBondContact O-N 2.99Å; H472-V476 WeakPolarHBondContact O-CG2 3.48Å; H472-V476 PolarHBondContact O-N 3Å; H472-V476 VanDerWaalsContact O-N 3.08Å; H472-E515 IonicContact CG-OE2 2.87Å; H472-E515 IonicContact ND1-OE2 3.02Å; H472-E515 PolarHBondContact ND1-OE2 3.46Å |
| 473 | C | 92.7 | Very high | 88.4 | Confident | 16 Ų | 16 | 31.8 Ų | 31.8 | 11% | 0.108 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.2 | -39.7 | 178.7 | -71.6 | 0 | 0 | 0 | 0 | 112.5 | F454 T469 A470 T477 | F454-C473 HydrophobicContact CD1-CB 3.58Å; F454-C473 HydrophobicContact CD2-CB 3.92Å; F454-C473 HydrophobicContact CE1-CB 3.42Å; F454-C473 VanDerWaalsContact CE1-CB 3.42Å; F454-C473 HydrophobicContact CE2-CB 3.78Å; F454-C473 HydrophobicContact CG-CB 3.84Å; F454-C473 HydrophobicContact CZ-CB 3.53Å; T469-C473 WeakPolarHBondContact O-CB 3.28Å; T469-C473 PolarHBondContact O-N 2.85Å; T469-C473 PolarHBondContact O-SG 3.01Å; T469-C473 VanDerWaalsContact O-SG 3.37Å; A470-C473 PolarHBondContact O-N 3.48Å; C473-T477 WeakPolarHBondContact O-CB 3.48Å; C473-T477 PolarHBondContact O-N 2.98Å; C473-T477 PolarHBondContact O-OG1 3.39Å |
| 474 | L | 94.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.6 | -48 | 176.8 | -178.2 | 60.1 | 0 | 0 | 0 | 111.7 | A451 F454 K455 M458 A470 L471 H472 V476 T477 L478 W499 | A451-L474 HydrophobicContact CB-CD1 4.21Å; F454-L474 HydrophobicContact CB-CB 3.79Å; F454-L474 HydrophobicContact CB-CD1 4.12Å; F454-L474 HydrophobicContact CB-CG 4.49Å; K455-L474 HydrophobicContact CG-CD1 3.8Å; K455-L474 HydrophobicContact CG-CD2 3.99Å; M458-L474 HydrophobicContact SD-CB 4.11Å; M458-L474 HydrophobicContact SD-CD2 3.37Å; M458-L474 WeakPolarHBondContact SD-CD2 3.46Å; M458-L474 HydrophobicContact SD-CG 4.37Å; A470-L474 WeakPolarHBondContact O-CB 3.44Å; A470-L474 PolarHBondContact O-N 3.11Å; L471-L474 PolarHBondContact O-N 3.37Å; H472-L474 VanDerWaalsContact C-N 3.33Å; H472-L474 PolarHBondContact O-N 2.93Å; L474-V476 PolarHBondContact O-N 3.24Å; L474-T477 PolarHBondContact O-N 2.95Å; L474-L478 HydrophobicContact CD1-CD1 3.94Å; L474-L478 HydrophobicContact CD1-CD2 4.47Å; L474-L478 HydrophobicContact CD1-CG 3.93Å; L474-L478 HydrophobicContact CD2-CD1 4.46Å; L474-L478 HydrophobicContact CG-CD1 3.89Å; L474-L478 HydrophobicContact CG-CG 4.27Å; L474-L478 WeakPolarHBondContact O-CB 3.33Å; L474-L478 WeakPolarHBondContact O-CG 3.25Å; L474-L478 PolarHBondContact O-N 2.96Å; L474-W499 HydrophobicContact CD2-CB 3.89Å; L474-W499 HydrophobicContact CD2-CD2 3.82Å; L474-W499 HydrophobicContact CD2-CE3 4.01Å; L474-W499 HydrophobicContact CD2-CG 3.73Å |
| 475 | L | 92.3 | Very high | 88.5 | Confident | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.6 | -44.6 | -178 | -71.4 | 176.1 | 0 | 0 | 0 | 112 | L471 H472 T477 L479 V500 L516 L519 | L471-L475 HydrophobicContact CD1-CD1 3.83Å; L471-L475 HydrophobicContact CD1-CD2 4.44Å; L471-L475 HydrophobicContact CD1-CG 3.9Å; L471-L475 HydrophobicContact CG-CD1 4.02Å; L471-L475 HydrophobicContact CG-CG 4.45Å; L471-L475 VanDerWaalsContact O-CG 3.31Å; L471-L475 WeakPolarHBondContact O-CG 3.35Å; L471-L475 PolarHBondContact O-N 2.92Å; H472-L475 PolarHBondContact O-N 2.99Å; L475-T477 VanDerWaalsContact C-N 3.33Å; L475-T477 PolarHBondContact O-N 3.21Å; L475-L479 WeakPolarHBondContact O-CB 3.4Å; L475-L479 PolarHBondContact O-N 3.25Å; L475-V500 HydrophobicContact CD2-CG2 3.81Å; L475-L516 HydrophobicContact CD1-CD2 4.05Å; L475-L519 HydrophobicContact CB-CD1 4.35Å; L475-L519 HydrophobicContact CB-CD2 4.06Å |
| 476 | V | 91.4 | Very high | 87.5 | Confident | 20 Ų | 20 | 36.7 Ų | 36.7 | 12% | 0.121 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.6 | -43.6 | 175.7 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | H472 L474 L479 N480 L519 | H472-V476 WeakPolarHBondContact O-CG2 3.48Å; H472-V476 PolarHBondContact O-N 3Å; H472-V476 VanDerWaalsContact O-N 3.08Å; L474-V476 PolarHBondContact O-N 3.24Å; V476-L479 PolarHBondContact O-N 3.15Å; V476-N480 PolarHBondContact O-N 3.49Å; V476-L519 HydrophobicContact CG2-CD1 3.67Å |
| 477 | T | 92.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.8 | -43.4 | -179.2 | -54.1 | 0 | 0 | 0 | 0 | 112.2 | L442 E447 A450 A451 F454 C473 L474 L475 L479 N480 L481 | L442-T477 HydrophobicContact CD1-CG2 4.09Å; E447-T477 HydrophobicContact CB-CG2 4.13Å; E447-T477 VanDerWaalsContact O-CG2 3.27Å; E447-T477 WeakPolarHBondContact O-CG2 3.48Å; A450-T477 HydrophobicContact CB-CG2 4.38Å; A451-T477 HydrophobicContact CB-CG2 4Å; F454-T477 WeakPolarHBondContact CE2-OG1 3.37Å; C473-T477 WeakPolarHBondContact O-CB 3.48Å; C473-T477 PolarHBondContact O-N 2.98Å; C473-T477 PolarHBondContact O-OG1 3.39Å; L474-T477 PolarHBondContact O-N 2.95Å; L475-T477 VanDerWaalsContact C-N 3.33Å; L475-T477 PolarHBondContact O-N 3.21Å; T477-L479 VanDerWaalsContact C-N 3.31Å; T477-L479 PolarHBondContact O-N 3.39Å; T477-N480 PolarHBondContact O-N 2.82Å; T477-L481 WeakPolarHBondContact O-CG 3.45Å; T477-L481 PolarHBondContact O-N 3.27Å |
| 478 | L | 91.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.3 | -35.2 | 176.2 | -69.9 | 176.7 | 0 | 0 | 0 | 112 | A451 L474 L481 F482 V492 Q495 L496 | A451-L478 HydrophobicContact CB-CD2 4.46Å; L474-L478 HydrophobicContact CD1-CD1 3.94Å; L474-L478 HydrophobicContact CD1-CD2 4.47Å; L474-L478 HydrophobicContact CD1-CG 3.93Å; L474-L478 HydrophobicContact CD2-CD1 4.46Å; L474-L478 HydrophobicContact CG-CD1 3.89Å; L474-L478 HydrophobicContact CG-CG 4.27Å; L474-L478 WeakPolarHBondContact O-CB 3.33Å; L474-L478 WeakPolarHBondContact O-CG 3.25Å; L474-L478 PolarHBondContact O-N 2.96Å; L478-L481 HydrophobicContact CD2-CD1 4.35Å; L478-L481 PolarHBondContact O-N 3.31Å; L478-F482 WeakPolarHBondContact O-CB 3.5Å; L478-F482 PolarHBondContact O-N 3.42Å; L478-V492 VanDerWaalsContact O-CG1 3.31Å; L478-V492 WeakPolarHBondContact O-CG1 3.36Å; L478-Q495 HydrophobicContact CD2-CB 4.49Å; L478-L496 HydrophobicContact CB-CD1 4.14Å; L478-L496 HydrophobicContact CD1-CB 4.25Å |
| 479 | L | 89.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65 | -42.1 | 174.3 | -174.7 | 62.8 | 0 | 0 | 0 | 111.4 | L475 V476 T477 F482 M483 L519 H523 E526 V527 L530 | L475-L479 WeakPolarHBondContact O-CB 3.4Å; L475-L479 PolarHBondContact O-N 3.25Å; V476-L479 PolarHBondContact O-N 3.15Å; T477-L479 VanDerWaalsContact C-N 3.31Å; T477-L479 PolarHBondContact O-N 3.39Å; L479-F482 HydrophobicContact CD1-CD1 4.44Å; L479-F482 WeakPolarHBondContact O-CB 3.24Å; L479-F482 PolarHBondContact O-N 3.15Å; L479-M483 WeakPolarHBondContact O-CG 3.41Å; L479-M483 PolarHBondContact O-N 2.96Å; L479-M483 VanDerWaalsContact O-N 3.08Å; L479-L519 HydrophobicContact CD2-CD1 4.16Å; L479-L519 HydrophobicContact CD2-CG 4.39Å; L479-H523 HydrophobicContact CD2-CB 3.7Å; L479-E526 HydrophobicContact CD1-CB 3.95Å; L479-E526 HydrophobicContact CD2-CB 3.79Å; L479-E526 HydrophobicContact CG-CB 3.84Å; L479-V527 HydrophobicContact CD1-CG2 4.41Å; L479-V527 HydrophobicContact CD2-CG2 3.81Å; L479-L530 HydrophobicContact CD1-CB 4.32Å; L479-L530 HydrophobicContact CD1-CD2 4.07Å |
| 480 | N | 89 | Confident | 85 | Confident | 49 Ų | 49 | 40.9 Ų | 40.9 | 26% | 0.262 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.9 | -44.2 | 175.7 | -70 | -16.6 | 0 | 0 | 0 | 111.9 | V476 T477 F482 M483 Q484 | V476-N480 PolarHBondContact O-N 3.49Å; T477-N480 PolarHBondContact O-N 2.82Å; N480-F482 VanDerWaalsContact C-N 3.29Å; N480-F482 PolarHBondContact O-N 2.94Å; N480-M483 PolarHBondContact O-N 2.76Å; N480-M483 VanDerWaalsContact O-N 3.13Å; N480-Q484 WeakPolarHBondContact O-CG 3.19Å; N480-Q484 PolarHBondContact O-N 3.11Å; N480-Q484 VanDerWaalsContact O-N 3.15Å |
| 481 | L | 89.8 | Confident | 84.7 | Confident | 12 Ų | 12 | 43.9 Ų | 43.9 | 6% | 0.063 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.8 | -41.3 | 174.1 | -76.1 | 171.9 | 0 | 0 | 0 | 111.9 | E447 Q448 A451 T477 L478 M483 Q484 E485 V492 | E447-L481 HydrophobicContact CB-CD1 4.45Å; E447-L481 HydrophobicContact CB-CD2 3.57Å; E447-L481 HydrophobicContact CB-CG 3.88Å; Q448-L481 HydrophobicContact CG-CD1 4.49Å; Q448-L481 HydrophobicContact CG-CD2 3.95Å; A451-L481 HydrophobicContact CB-CD1 4.31Å; T477-L481 WeakPolarHBondContact O-CG 3.45Å; T477-L481 PolarHBondContact O-N 3.27Å; L478-L481 HydrophobicContact CD2-CD1 4.35Å; L478-L481 PolarHBondContact O-N 3.31Å; L481-M483 VanDerWaalsContact C-N 3.31Å; L481-M483 PolarHBondContact O-N 2.92Å; L481-Q484 PolarHBondContact O-N 3.29Å; L481-Q484 VanDerWaalsContact O-N 3.15Å; L481-E485 PolarHBondContact O-N 3.04Å; L481-V492 HydrophobicContact CB-CG1 4.31Å; L481-V492 HydrophobicContact CB-CG2 4.29Å |
| 482 | F | 88.9 | Confident | 84.3 | Confident | 17 Ų | 17 | 44.1 Ų | 44.1 | 8% | 0.075 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.9 | -40.9 | 175.2 | 165.5 | -97.3 | 0 | 0 | 0 | 112.2 | L478 L479 N480 Q484 P489 V492 I493 L530 T533 | L478-F482 WeakPolarHBondContact O-CB 3.5Å; L478-F482 PolarHBondContact O-N 3.42Å; L479-F482 HydrophobicContact CD1-CD1 4.44Å; L479-F482 WeakPolarHBondContact O-CB 3.24Å; L479-F482 PolarHBondContact O-N 3.15Å; N480-F482 VanDerWaalsContact C-N 3.29Å; N480-F482 PolarHBondContact O-N 2.94Å; F482-Q484 VanDerWaalsContact C-N 3.26Å; F482-Q484 PolarHBondContact O-N 3.35Å; F482-P489 HydrophobicContact CD2-CB 3.7Å; F482-P489 HydrophobicContact CE2-CB 3.7Å; F482-P489 HydrophobicContact CE2-CG 4.28Å; F482-V492 HydrophobicContact CB-CG1 3.97Å; F482-I493 HydrophobicContact CD2-CD1 4.37Å; F482-I493 HydrophobicContact CD2-CG1 4.05Å; F482-I493 HydrophobicContact CE2-CD1 4.05Å; F482-I493 HydrophobicContact CE2-CG1 4.2Å; F482-L530 HydrophobicContact CD1-CB 4.26Å; F482-L530 HydrophobicContact CD1-CD1 4.2Å; F482-L530 HydrophobicContact CD2-CD1 3.98Å; F482-L530 HydrophobicContact CE1-CB 3.87Å; F482-L530 HydrophobicContact CE1-CD1 4.18Å; F482-L530 HydrophobicContact CE2-CD1 3.96Å; F482-L530 HydrophobicContact CG-CD1 4.11Å; F482-L530 HydrophobicContact CZ-CB 4.27Å; F482-L530 HydrophobicContact CZ-CD1 4.07Å; F482-T533 HydrophobicContact CE2-CG2 4.11Å; F482-T533 HydrophobicContact CZ-CG2 4.33Å |
| 483 | M | 85.8 | Confident | 83.9 | Confident | 93 Ų | 93 | 41 Ų | 41 | 46% | 0.458 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -69.7 | -23.9 | 178.2 | -65 | -58.2 | -68.5 | 0 | 0 | 112.8 | L479 N480 L481 E526 E529 | L479-M483 WeakPolarHBondContact O-CG 3.41Å; L479-M483 PolarHBondContact O-N 2.96Å; L479-M483 VanDerWaalsContact O-N 3.08Å; N480-M483 PolarHBondContact O-N 2.76Å; N480-M483 VanDerWaalsContact O-N 3.13Å; L481-M483 VanDerWaalsContact C-N 3.31Å; L481-M483 PolarHBondContact O-N 2.92Å; M483-E526 HydrophobicContact CE-CG 4.31Å; M483-E526 HydrophobicContact CG-CB 4.13Å; M483-E526 HydrophobicContact CG-CG 3.98Å; M483-E526 HydrophobicContact SD-CB 4.08Å; M483-E526 HydrophobicContact SD-CG 4.26Å; M483-E529 HydrophobicContact SD-CB 4.47Å |
| 484 | Q | 84.9 | Confident | 83.7 | Confident | 113 Ų | 113 | 42.8 Ų | 42.8 | 53% | 0.528 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -85.5 | -33.7 | 178.2 | -67.4 | 175 | 4.5 | 0 | 0 | 113 | E447 N480 L481 F482 G486 | E447-Q484 PolarHBondContact OE1-NE2 3.44Å; N480-Q484 WeakPolarHBondContact O-CG 3.19Å; N480-Q484 PolarHBondContact O-N 3.11Å; N480-Q484 VanDerWaalsContact O-N 3.15Å; L481-Q484 PolarHBondContact O-N 3.29Å; L481-Q484 VanDerWaalsContact O-N 3.15Å; F482-Q484 VanDerWaalsContact C-N 3.26Å; F482-Q484 PolarHBondContact O-N 3.35Å; Q484-G486 PolarHBondContact O-N 2.95Å |
| 485 | E | 76.9 | Confident | 83.4 | Confident | 67 Ų | 67 | 45.4 Ų | 45.4 | 31% | 0.313 | 28% | 0.275 | S | S | . | . | trans | -77.6 | 85.1 | -178.7 | -76.2 | -170.4 | 168.8 | 0 | 0 | 112.8 | L481 S487 V492 | L481-E485 PolarHBondContact O-N 3.04Å; E485-S487 VanDerWaalsContact C-N 3.35Å; E485-S487 PolarHBondContact O-N 3.46Å; E485-V492 WeakPolarHBondContact OE2-CG2 3.21Å | ||
| 486 | G | 59.3 | Low | 83.2 | Confident | 79 Ų | 79 | 45.6 Ų | 45.6 | 81% | 0.814 | 28% | 0.276 | S | S | * | . | trans | -76.1 | -5.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | Q484 | Q484-G486 PolarHBondContact O-N 2.95Š| ||
| 487 | S | 58.7 | Low | 83.1 | Confident | 127 Ų | 127 | 46.3 Ų | 46.3 | 89% | 0.888 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -119.1 | -30.9 | -170.3 | -62.1 | 0 | 0 | 0 | 0 | 115.8 | E485 | E485-S487 VanDerWaalsContact C-N 3.35Å; E485-S487 PolarHBondContact O-N 3.46Å |
| 488 | D | 70.3 | Confident | 83 | Confident | 108 Ų | 108 | 50.8 Ų | 50.8 | 58% | 0.578 | 30% | 0.3 | S | S | * | . | trans | -154.8 | 84.7 | 171.5 | -175.4 | 11.8 | 0 | 0 | 0 | 112.2 | S490 | D488-S490 PolarHBondContact O-N 3.05Å; D488-S490 VanDerWaalsContact O-N 3.12Å; D488-S490 WeakPolarHBondContact OD1-CB 3.26Å; D488-S490 PolarHBondContact OD1-N 3.29Å; D488-S490 VanDerWaalsContact OD1-N 3.15Å | ||
| 489 | P | 78.8 | Confident | 83.1 | Confident | 32 Ų | 32 | 51.4 Ų | 51.4 | 21% | 0.208 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | 1 | -179.8 | 30.1 | -34.8 | 0 | 0 | 0 | 113.5 | F482 S491 V492 I493 T533 | F482-P489 HydrophobicContact CD2-CB 3.7Å; F482-P489 HydrophobicContact CE2-CB 3.7Å; F482-P489 HydrophobicContact CE2-CG 4.28Å; P489-S491 VanDerWaalsContact C-N 3.28Å; P489-S491 PolarHBondContact O-N 2.97Å; P489-V492 PolarHBondContact O-N 3.06Å; P489-I493 HydrophobicContact CB-CD1 4.06Å; P489-I493 HydrophobicContact CB-CG1 4.42Å; P489-I493 HydrophobicContact CG-CD1 4.31Å; P489-I493 WeakPolarHBondContact O-CB 3.48Å; P489-I493 WeakPolarHBondContact O-CG1 3.48Å; P489-I493 PolarHBondContact O-N 3.16Å; P489-T533 HydrophobicContact CG-CG2 4.18Å |
| 490 | S | 81.4 | Confident | 83.1 | Confident | 55 Ų | 55 | 51.5 Ų | 51.5 | 39% | 0.385 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.4 | -37 | -172.9 | -172.2 | 0 | 0 | 0 | 0 | 112.8 | D488 T494 R539 | D488-S490 PolarHBondContact O-N 3.05Å; D488-S490 VanDerWaalsContact O-N 3.12Å; D488-S490 WeakPolarHBondContact OD1-CB 3.26Å; D488-S490 PolarHBondContact OD1-N 3.29Å; D488-S490 VanDerWaalsContact OD1-N 3.15Å; S490-T494 WeakPolarHBondContact O-CB 3.37Å; S490-T494 PolarHBondContact O-N 2.98Å; S490-T494 PolarHBondContact O-OG1 3.35Å; S490-R539 PolarHBondContact O-NH2 3.41Å |
| 491 | S | 85.1 | Confident | 83.1 | Confident | 64 Ų | 64 | 52.3 Ų | 52.3 | 45% | 0.448 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.3 | -54.9 | 177.7 | -179.3 | 0 | 0 | 0 | 0 | 111.6 | P489 I493 T494 Q495 | P489-S491 VanDerWaalsContact C-N 3.28Å; P489-S491 PolarHBondContact O-N 2.97Å; S491-I493 VanDerWaalsContact C-N 3.35Å; S491-I493 PolarHBondContact O-N 3.35Å; S491-T494 WeakPolarHBondContact O-CB 3.08Å; S491-T494 PolarHBondContact O-N 3.09Å; S491-T494 VanDerWaalsContact O-N 3.08Å; S491-Q495 WeakPolarHBondContact O-CG 3.35Å; S491-Q495 PolarHBondContact O-N 3.42Å |
| 492 | V | 84.6 | Confident | 83.1 | Confident | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.03 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.4 | -40.7 | -178.9 | 175.3 | 0 | 0 | 0 | 0 | 111.4 | L478 L481 F482 E485 P489 T494 Q495 L496 | L478-V492 VanDerWaalsContact O-CG1 3.31Å; L478-V492 WeakPolarHBondContact O-CG1 3.36Å; L481-V492 HydrophobicContact CB-CG1 4.31Å; L481-V492 HydrophobicContact CB-CG2 4.29Å; F482-V492 HydrophobicContact CB-CG1 3.97Å; E485-V492 WeakPolarHBondContact OE2-CG2 3.21Å; P489-V492 PolarHBondContact O-N 3.06Å; V492-T494 VanDerWaalsContact C-N 3.28Å; V492-T494 PolarHBondContact O-N 2.93Å; V492-Q495 PolarHBondContact O-N 3.08Å; V492-L496 WeakPolarHBondContact O-CB 3.48Å; V492-L496 PolarHBondContact O-N 3.44Å |
| 493 | I | 85.3 | Confident | 83.1 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.3 | -40 | 175.2 | -63.2 | 169.8 | 0 | 0 | 0 | 110.5 | F482 P489 S491 Q495 L496 E497 L530 T533 L534 R539 | F482-I493 HydrophobicContact CD2-CD1 4.37Å; F482-I493 HydrophobicContact CD2-CG1 4.05Å; F482-I493 HydrophobicContact CE2-CD1 4.05Å; F482-I493 HydrophobicContact CE2-CG1 4.2Å; P489-I493 HydrophobicContact CB-CD1 4.06Å; P489-I493 HydrophobicContact CB-CG1 4.42Å; P489-I493 HydrophobicContact CG-CD1 4.31Å; P489-I493 WeakPolarHBondContact O-CB 3.48Å; P489-I493 WeakPolarHBondContact O-CG1 3.48Å; P489-I493 PolarHBondContact O-N 3.16Å; S491-I493 VanDerWaalsContact C-N 3.35Å; S491-I493 PolarHBondContact O-N 3.35Å; I493-Q495 VanDerWaalsContact C-N 3.33Å; I493-Q495 PolarHBondContact O-N 2.93Å; I493-L496 PolarHBondContact O-N 2.82Å; I493-E497 WeakPolarHBondContact O-CG 3.29Å; I493-E497 PolarHBondContact O-N 2.93Å; I493-L530 HydrophobicContact CG1-CD1 4.12Å; I493-T533 HydrophobicContact CD1-CG2 3.96Å; I493-L534 HydrophobicContact CG2-CD2 3.33Å; I493-L534 HydrophobicContact CG2-CG 4.38Å; I493-R539 VanDerWaalsContact C-NH2 3.27Å; I493-R539 VanDerWaalsContact CB-NH2 3.28Å |
| 494 | T | 87.4 | Confident | 83.2 | Confident | 54 Ų | 54 | 52 Ų | 52 | 33% | 0.331 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67 | -38.7 | 179.7 | -57.6 | 0 | 0 | 0 | 0 | 110.8 | S490 S491 V492 M498 R539 | S490-T494 WeakPolarHBondContact O-CB 3.37Å; S490-T494 PolarHBondContact O-N 2.98Å; S490-T494 PolarHBondContact O-OG1 3.35Å; S491-T494 WeakPolarHBondContact O-CB 3.08Å; S491-T494 PolarHBondContact O-N 3.09Å; S491-T494 VanDerWaalsContact O-N 3.08Å; V492-T494 VanDerWaalsContact C-N 3.28Å; V492-T494 PolarHBondContact O-N 2.93Å; T494-M498 WeakPolarHBondContact O-CB 2.75Å; T494-M498 PolarHBondContact O-N 3.19Å; T494-R539 PolarHBondContact OG1-NH1 3.35Å; T494-R539 PolarHBondContact OG1-NH2 2.96Å |
| 495 | Q | 89 | Confident | 83.3 | Confident | 55 Ų | 55 | 54.2 Ų | 54.2 | 26% | 0.257 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.6 | -46.8 | 173.3 | -66.7 | -177.3 | 37.8 | 0 | 0 | 111.2 | L478 S491 V492 I493 E497 M498 W499 | L478-Q495 HydrophobicContact CD2-CB 4.49Å; S491-Q495 WeakPolarHBondContact O-CG 3.35Å; S491-Q495 PolarHBondContact O-N 3.42Å; V492-Q495 PolarHBondContact O-N 3.08Å; I493-Q495 VanDerWaalsContact C-N 3.33Å; I493-Q495 PolarHBondContact O-N 2.93Å; Q495-E497 VanDerWaalsContact C-N 3.34Å; Q495-E497 PolarHBondContact O-N 2.86Å; Q495-M498 WeakPolarHBondContact O-CB 3.01Å; Q495-M498 PolarHBondContact O-N 3.36Å; Q495-W499 PolarHBondContact O-N 3.46Å |
| 496 | L | 88 | Confident | 83.6 | Confident | 6 Ų | 6 | 53.9 Ų | 53.9 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.4 | -43.8 | -179.9 | -167.3 | 150.3 | 0 | 0 | 0 | 111.4 | L478 V492 I493 W499 V500 L530 L542 | L478-L496 HydrophobicContact CB-CD1 4.14Å; L478-L496 HydrophobicContact CD1-CB 4.25Å; V492-L496 WeakPolarHBondContact O-CB 3.48Å; V492-L496 PolarHBondContact O-N 3.44Å; I493-L496 PolarHBondContact O-N 2.82Å; L496-W499 PolarHBondContact O-N 2.98Å; L496-V500 HydrophobicContact CD2-CG2 4.13Å; L496-V500 WeakPolarHBondContact O-CB 3.28Å; L496-V500 VanDerWaalsContact O-CG2 3.24Å; L496-V500 WeakPolarHBondContact O-CG2 3.28Å; L496-V500 PolarHBondContact O-N 2.93Å; L496-L530 HydrophobicContact CD1-CD2 4.13Å; L496-L542 HydrophobicContact CD2-CD1 4.01Å; L496-L542 HydrophobicContact CD2-CD2 3.33Å; L496-L542 HydrophobicContact CD2-CG 4.26Å |
| 497 | E | 88.2 | Confident | 85 | Confident | 35 Ų | 35 | 50.5 Ų | 50.5 | 16% | 0.164 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 173.6 | -75.1 | -177.3 | 169.3 | 0 | 0 | 113 | I493 Q495 W499 V500 N501 R539 L542 | I493-E497 WeakPolarHBondContact O-CG 3.29Å; I493-E497 PolarHBondContact O-N 2.93Å; Q495-E497 VanDerWaalsContact C-N 3.34Å; Q495-E497 PolarHBondContact O-N 2.86Å; E497-W499 VanDerWaalsContact C-N 3.33Å; E497-W499 PolarHBondContact O-N 3.31Å; E497-V500 PolarHBondContact O-N 3.06Å; E497-N501 VanDerWaalsContact O-CG 3.27Å; E497-N501 PolarHBondContact O-N 3.45Å; E497-N501 PolarHBondContact O-ND2 3.17Å; E497-R539 WeakPolarHBondContact OE1-CB 3.41Å; E497-R539 WeakPolarHBondContact OE1-CD 3.5Å; E497-R539 IonicContact OE1-CZ 3.16Å; E497-R539 IonicContact OE1-NE 2.97Å; E497-R539 PolarHBondContact OE1-NE 3.06Å; E497-R539 WeakPolarHBondContact OE2-CD 3.22Å; E497-R539 IonicContact OE2-CZ 3.55Å; E497-R539 IonicContact OE2-NE 3.21Å; E497-R539 PolarHBondContact OE2-NE 3.4Å; E497-R539 IonicContact OE2-NH1 3.88Å; E497-R539 PolarHBondContact OE2-NH1 3.17Å; E497-L542 HydrophobicContact CG-CB 3.96Å; E497-L542 HydrophobicContact CG-CD2 3.7Å; E497-L542 HydrophobicContact CG-CG 4.3Å |
| 498 | M | 91.7 | Very high | 86.4 | Confident | 94 Ų | 94 | 47 Ų | 47 | 46% | 0.463 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.1 | -44.2 | 178.9 | -176.6 | -168.3 | -60.6 | 0 | 0 | 111.4 | T494 Q495 N501 K502 | T494-M498 WeakPolarHBondContact O-CB 2.75Å; T494-M498 PolarHBondContact O-N 3.19Å; Q495-M498 WeakPolarHBondContact O-CB 3.01Å; Q495-M498 PolarHBondContact O-N 3.36Å; M498-N501 WeakPolarHBondContact O-CB 3.32Å; M498-N501 PolarHBondContact O-N 2.95Å; M498-K502 PolarHBondContact O-N 3.45Å |
| 499 | W | 91.8 | Very high | 87.1 | Confident | 14 Ų | 14 | 48 Ų | 48 | 5% | 0.053 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -76.4 | -31.7 | -177.3 | -76.1 | 106.4 | 0 | 0 | 0 | 113.3 | K455 M458 E459 L474 Q495 L496 E497 N501 K502 A503 | K455-W499 HydrophobicContact CB-CH2 3.61Å; K455-W499 HydrophobicContact CB-CZ2 3.5Å; K455-W499 VanDerWaalsContact CB-CZ2 3.5Å; K455-W499 HydrophobicContact CB-CZ3 4.35Å; K455-W499 HydrophobicContact CD-CZ2 3.69Å; K455-W499 HydrophobicContact CG-CD2 4.15Å; K455-W499 VanDerWaalsContact CG-CE2 3.47Å; K455-W499 HydrophobicContact CG-CH2 3.95Å; K455-W499 HydrophobicContact CG-CZ2 3.4Å; K455-W499 VanDerWaalsContact CG-CZ2 3.4Å; M458-W499 HydrophobicContact CB-CZ3 4.24Å; M458-W499 HydrophobicContact CE-CE3 4.18Å; M458-W499 HydrophobicContact SD-CE3 4.18Å; E459-W499 HydrophobicContact CG-CH2 3.77Å; E459-W499 HydrophobicContact CG-CZ3 4.05Å; E459-W499 VanDerWaalsContact OE1-CH2 3.29Å; E459-W499 WeakPolarHBondContact OE1-CH2 2.99Å; L474-W499 HydrophobicContact CD2-CB 3.89Å; L474-W499 HydrophobicContact CD2-CD2 3.82Å; L474-W499 HydrophobicContact CD2-CE3 4.01Å; L474-W499 HydrophobicContact CD2-CG 3.73Å; Q495-W499 PolarHBondContact O-N 3.46Å; L496-W499 PolarHBondContact O-N 2.98Å; E497-W499 VanDerWaalsContact C-N 3.33Å; E497-W499 PolarHBondContact O-N 3.31Å; W499-N501 VanDerWaalsContact C-N 3.35Å; W499-K502 HydrophobicContact CD2-CD 4.19Å; W499-K502 HydrophobicContact CE3-CB 4.27Å; W499-K502 HydrophobicContact CE3-CD 3.74Å; W499-K502 HydrophobicContact CH2-CD 4.06Å; W499-K502 HydrophobicContact CZ2-CD 4.43Å; W499-K502 HydrophobicContact CZ3-CD 3.69Å; W499-K502 PolarHBondContact O-N 2.77Å; W499-A503 VanDerWaalsContact O-CB 3.28Å; W499-A503 WeakPolarHBondContact O-CB 3.07Å; W499-A503 PolarHBondContact O-N 2.88Å |
| 500 | V | 89.6 | Confident | 87.4 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.7 | -39.5 | 168.8 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | L475 L496 E497 A503 E504 L516 L542 | L475-V500 HydrophobicContact CD2-CG2 3.81Å; L496-V500 HydrophobicContact CD2-CG2 4.13Å; L496-V500 WeakPolarHBondContact O-CB 3.28Å; L496-V500 VanDerWaalsContact O-CG2 3.24Å; L496-V500 WeakPolarHBondContact O-CG2 3.28Å; L496-V500 PolarHBondContact O-N 2.93Å; E497-V500 PolarHBondContact O-N 3.06Å; V500-A503 WeakPolarHBondContact O-CB 3.4Å; V500-A503 PolarHBondContact O-N 2.69Å; V500-E504 WeakPolarHBondContact O-CG 3.48Å; V500-E504 PolarHBondContact O-N 3.13Å; V500-L516 HydrophobicContact CG1-CD1 4.31Å; V500-L516 HydrophobicContact CG2-CD2 4.37Å; V500-L542 HydrophobicContact CB-CD1 4.38Å; V500-L542 HydrophobicContact CG1-CD1 4.32Å; V500-L542 HydrophobicContact CG2-CD1 4.24Å |
| 501 | N | 89.9 | Confident | 87.7 | Confident | 66 Ų | 66 | 51.1 Ų | 51.1 | 35% | 0.353 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.8 | -49.2 | 173.3 | -71.8 | -30.2 | 0 | 0 | 0 | 111.9 | E497 M498 W499 A503 E504 E505 R545 | E497-N501 VanDerWaalsContact O-CG 3.27Å; E497-N501 PolarHBondContact O-N 3.45Å; E497-N501 PolarHBondContact O-ND2 3.17Å; M498-N501 WeakPolarHBondContact O-CB 3.32Å; M498-N501 PolarHBondContact O-N 2.95Å; W499-N501 VanDerWaalsContact C-N 3.35Å; N501-A503 PolarHBondContact O-N 3.45Å; N501-E504 PolarHBondContact O-N 2.95Å; N501-E504 VanDerWaalsContact O-N 3.08Å; N501-E505 PolarHBondContact O-N 2.87Å; N501-E505 VanDerWaalsContact O-N 3.17Å; N501-R545 PolarHBondContact OD1-NH1 2.9Å; N501-R545 PolarHBondContact OD1-NH2 3.49Å |
| 502 | K | 89.8 | Confident | 87.9 | Confident | 53 Ų | 53 | 48.2 Ų | 48.2 | 23% | 0.23 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58 | -36.7 | 174.7 | -78.9 | -174.8 | 171.2 | -174.4 | 0 | 111.9 | E459 M498 W499 E505 R506 | E459-K502 IonicContact OE1-NZ 3.4Å; E459-K502 PolarHBondContact OE1-NZ 3.2Å; M498-K502 PolarHBondContact O-N 3.45Å; W499-K502 HydrophobicContact CD2-CD 4.19Å; W499-K502 HydrophobicContact CE3-CB 4.27Å; W499-K502 HydrophobicContact CE3-CD 3.74Å; W499-K502 HydrophobicContact CH2-CD 4.06Å; W499-K502 HydrophobicContact CZ2-CD 4.43Å; W499-K502 HydrophobicContact CZ3-CD 3.69Å; W499-K502 PolarHBondContact O-N 2.77Å; K502-E505 PolarHBondContact O-N 3.43Å; K502-R506 PolarHBondContact O-N 2.95Å; K502-R506 VanDerWaalsContact O-N 3.12Å |
| 503 | A | 88.7 | Confident | 88 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | M458 L471 W499 V500 N501 E505 R506 Y507 V512 | M458-A503 HydrophobicContact CE-CB 4.04Å; L471-A503 HydrophobicContact CD1-CB 3.74Å; L471-A503 HydrophobicContact CD2-CB 4.02Å; W499-A503 VanDerWaalsContact O-CB 3.28Å; W499-A503 WeakPolarHBondContact O-CB 3.07Å; W499-A503 PolarHBondContact O-N 2.88Å; V500-A503 WeakPolarHBondContact O-CB 3.4Å; V500-A503 PolarHBondContact O-N 2.69Å; N501-A503 PolarHBondContact O-N 3.45Å; A503-E505 PolarHBondContact O-N 3.19Å; A503-R506 PolarHBondContact O-N 3.33Å; A503-Y507 HydrophobicContact CB-CD2 3.94Å; A503-Y507 HydrophobicContact CB-CE2 4.24Å; A503-Y507 WeakPolarHBondContact O-CB 3.47Å; A503-Y507 VanDerWaalsContact O-CD2 3.25Å; A503-Y507 WeakPolarHBondContact O-CD2 3.13Å; A503-Y507 PolarHBondContact O-N 2.97Å; A503-V512 HydrophobicContact CB-CG1 4.42Å; A503-V512 HydrophobicContact CB-CG2 4.23Å |
| 504 | E | 88.3 | Confident | 88.1 | Confident | 63 Ų | 63 | 53.7 Ų | 53.7 | 29% | 0.294 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.2 | -24.4 | 175.4 | -71.9 | 172 | -171.7 | 0 | 0 | 113.5 | V500 N501 V512 R545 | V500-E504 WeakPolarHBondContact O-CG 3.48Å; V500-E504 PolarHBondContact O-N 3.13Å; N501-E504 PolarHBondContact O-N 2.95Å; N501-E504 VanDerWaalsContact O-N 3.08Å; E504-V512 HydrophobicContact CG-CB 4.5Å; E504-V512 HydrophobicContact CG-CG1 4.11Å; E504-V512 HydrophobicContact CG-CG2 4.48Å; E504-R545 VanDerWaalsContact OE1-CD 3.25Å; E504-R545 WeakPolarHBondContact OE1-CD 3.41Å; E504-R545 IonicContact OE1-CZ 2.65Å; E504-R545 IonicContact OE1-NE 2.75Å; E504-R545 PolarHBondContact OE1-NE 3.37Å; E504-R545 IonicContact OE1-NH1 3.28Å; E504-R545 PolarHBondContact OE1-NH1 3.17Å; E504-R545 IonicContact OE1-NH2 3.89Å; E504-R545 IonicContact OE2-CZ 3.67Å; E504-R545 IonicContact OE2-NE 3.3Å; E504-R545 IonicContact OE2-NH1 3.01Å; E504-R545 PolarHBondContact OE2-NH1 3.49Å; E504-R545 VanDerWaalsContact OE2-NH1 3.11Å; E504-R545 IonicContact OE2-NH2 2.74Å; E504-R545 PolarHBondContact OE2-NH2 2.82Å |
| 505 | E | 86.7 | Confident | 88.2 | Confident | 160 Ų | 160 | 52.5 Ų | 52.5 | 75% | 0.748 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -79.1 | -33.1 | 173.3 | -67.5 | 171.4 | -176.7 | 0 | 0 | 112.5 | N501 K502 A503 | N501-E505 PolarHBondContact O-N 2.87Å; N501-E505 VanDerWaalsContact O-N 3.17Å; K502-E505 PolarHBondContact O-N 3.43Å; A503-E505 PolarHBondContact O-N 3.19Å |
| 506 | R | 84.1 | Confident | 88.1 | Confident | 59 Ų | 59 | 50.2 Ų | 50.2 | 22% | 0.223 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -93 | -37.2 | -175.9 | -69.7 | -172.2 | -165.3 | -100.1 | 0.7 | 114 | M458 E459 P463 G464 K502 A503 | M458-R506 WeakPolarHBondContact O-CD 3.48Å; E459-R506 PolarHBondContact O-NH1 3.49Å; P463-R506 CarbonylContact C-O 3.56Å; P463-R506 WeakPolarHBondContact CA-O 3.46Å; G464-R506 PolarHBondContact N-O 3.32Å; K502-R506 PolarHBondContact O-N 2.95Å; K502-R506 VanDerWaalsContact O-N 3.12Å; A503-R506 PolarHBondContact O-N 3.33Å |
| 507 | Y | 87.2 | Confident | 88.1 | Confident | 8 Ų | 8 | 53.8 Ų | 53.8 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -106.6 | 155.5 | -174.9 | -57.6 | -82.5 | 0 | 0 | 0 | 111.2 | M458 E461 S465 D467 L471 A503 Q509 V512 | M458-Y507 HydrophobicContact CE-CE2 4.02Å; E461-Y507 PolarHBondContact OE1-OH 3.15Å; E461-Y507 WeakPolarHBondContact OE2-CE1 3.41Å; E461-Y507 PolarHBondContact OE2-OH 3.41Å; S465-Y507 WeakPolarHBondContact O-CD1 3.31Å; D467-Y507 VanDerWaalsContact O-CE1 3.31Å; D467-Y507 WeakPolarHBondContact O-CE1 3.45Å; L471-Y507 HydrophobicContact CB-CE2 4.31Å; L471-Y507 HydrophobicContact CD2-CD2 4.19Å; L471-Y507 HydrophobicContact CD2-CE2 4.19Å; A503-Y507 HydrophobicContact CB-CD2 3.94Å; A503-Y507 HydrophobicContact CB-CE2 4.24Å; A503-Y507 WeakPolarHBondContact O-CB 3.47Å; A503-Y507 VanDerWaalsContact O-CD2 3.25Å; A503-Y507 WeakPolarHBondContact O-CD2 3.13Å; A503-Y507 PolarHBondContact O-N 2.97Å; Y507-Q509 PolarHBondContact O-N 3.37Å; Y507-V512 HydrophobicContact CD2-CG2 4.42Å; Y507-V512 HydrophobicContact CG-CG2 4.48Å |
| 508 | P | 87.9 | Confident | 88 | Confident | 55 Ų | 55 | 53.9 Ų | 53.9 | 36% | 0.357 | 27% | 0.271 | S | S | . | . | trans | -54.8 | 138.3 | 167.7 | -22.6 | 33.1 | 0 | 0 | 0 | 111 | D510 T511 V512 | P508-D510 PolarHBondContact O-N 3.49Å; P508-D510 VanDerWaalsContact O-N 3.1Å; P508-T511 WeakPolarHBondContact O-CA 3.32Å; P508-T511 VanDerWaalsContact O-CB 3.28Å; P508-T511 WeakPolarHBondContact O-CB 3.34Å; P508-T511 PolarHBondContact O-N 2.66Å; P508-V512 PolarHBondContact O-N 3.06Å | ||
| 509 | Q | 85.6 | Confident | 87.8 | Confident | 129 Ų | 129 | 49.7 Ų | 49.7 | 60% | 0.603 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -56 | -34.6 | -176.4 | -69.4 | -173.2 | -2.1 | 0 | 0 | 113.3 | Y507 T511 K513 | Y507-Q509 PolarHBondContact O-N 3.37Å; Q509-T511 VanDerWaalsContact C-N 3.32Å; Q509-K513 WeakPolarHBondContact O-CB 3.33Å; Q509-K513 VanDerWaalsContact O-CG 3.27Å; Q509-K513 WeakPolarHBondContact O-CG 3.26Å; Q509-K513 PolarHBondContact O-N 3.22Å; Q509-K513 VanDerWaalsContact O-N 3.08Å |
| 510 | D | 85.7 | Confident | 87.4 | Confident | 118 Ų | 118 | 52 Ų | 52 | 63% | 0.631 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -68 | -34 | 178.7 | -70.1 | -29.1 | 0 | 0 | 0 | 112.2 | P508 K513 A514 | P508-D510 PolarHBondContact O-N 3.49Å; P508-D510 VanDerWaalsContact O-N 3.1Å; D510-K513 PolarHBondContact O-N 2.96Å; D510-A514 WeakPolarHBondContact O-CB 3.31Å; D510-A514 PolarHBondContact O-N 3.34Å |
| 511 | T | 87.9 | Confident | 87.2 | Confident | 33 Ų | 33 | 61 Ų | 61 | 20% | 0.202 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.4 | -48.7 | 176.2 | -55.9 | 0 | 0 | 0 | 0 | 110.8 | T468 P508 Q509 K513 A514 E515 | T468-T511 HydrophobicContact CG2-CG2 3.13Å; P508-T511 WeakPolarHBondContact O-CA 3.32Å; P508-T511 VanDerWaalsContact O-CB 3.28Å; P508-T511 WeakPolarHBondContact O-CB 3.34Å; P508-T511 PolarHBondContact O-N 2.66Å; Q509-T511 VanDerWaalsContact C-N 3.32Å; T511-K513 VanDerWaalsContact C-N 3.31Å; T511-K513 PolarHBondContact O-N 3.1Å; T511-A514 WeakPolarHBondContact O-CB 3.33Å; T511-A514 PolarHBondContact O-N 3.38Å; T511-A514 VanDerWaalsContact O-N 3.09Å; T511-E515 PolarHBondContact O-N 2.96Å |
| 512 | V | 87.8 | Confident | 86.9 | Confident | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.024 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 176.9 | -176 | 0 | 0 | 0 | 0 | 111.1 | A503 E504 Y507 P508 A514 E515 L516 | A503-V512 HydrophobicContact CB-CG1 4.42Å; A503-V512 HydrophobicContact CB-CG2 4.23Å; E504-V512 HydrophobicContact CG-CB 4.5Å; E504-V512 HydrophobicContact CG-CG1 4.11Å; E504-V512 HydrophobicContact CG-CG2 4.48Å; Y507-V512 HydrophobicContact CD2-CG2 4.42Å; Y507-V512 HydrophobicContact CG-CG2 4.48Å; P508-V512 PolarHBondContact O-N 3.06Å; V512-A514 VanDerWaalsContact C-N 3.31Å; V512-A514 PolarHBondContact O-N 2.84Å; V512-E515 PolarHBondContact O-N 3.13Å; V512-L516 HydrophobicContact CG1-CD1 4.23Å; V512-L516 HydrophobicContact CG1-CG 4.46Å; V512-L516 WeakPolarHBondContact O-CG 3.44Å; V512-L516 PolarHBondContact O-N 3.41Å |
| 513 | K | 87.3 | Confident | 86.7 | Confident | 75 Ų | 75 | 61.5 Ų | 61.5 | 33% | 0.326 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.5 | -36.3 | 175.5 | -74.2 | 171.2 | -174 | 166.9 | 0 | 112.5 | Q509 D510 T511 R517 T549 | Q509-K513 WeakPolarHBondContact O-CB 3.33Å; Q509-K513 VanDerWaalsContact O-CG 3.27Å; Q509-K513 WeakPolarHBondContact O-CG 3.26Å; Q509-K513 PolarHBondContact O-N 3.22Å; Q509-K513 VanDerWaalsContact O-N 3.08Å; D510-K513 PolarHBondContact O-N 2.96Å; T511-K513 VanDerWaalsContact C-N 3.31Å; T511-K513 PolarHBondContact O-N 3.1Å; K513-R517 WeakPolarHBondContact O-CB 3.4Å; K513-R517 PolarHBondContact O-N 3.11Å; K513-R517 VanDerWaalsContact O-N 3.08Å; K513-T549 HydrophobicContact CB-CG2 4.44Å |
| 514 | A | 87.4 | Confident | 86.5 | Confident | 46 Ų | 46 | 64.3 Ų | 64.3 | 38% | 0.38 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.4 | -43.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | D510 T511 V512 R517 A518 | D510-A514 WeakPolarHBondContact O-CB 3.31Å; D510-A514 PolarHBondContact O-N 3.34Å; T511-A514 WeakPolarHBondContact O-CB 3.33Å; T511-A514 PolarHBondContact O-N 3.38Å; T511-A514 VanDerWaalsContact O-N 3.09Å; V512-A514 VanDerWaalsContact C-N 3.31Å; V512-A514 PolarHBondContact O-N 2.84Å; A514-R517 WeakPolarHBondContact O-CB 3.47Å; A514-R517 PolarHBondContact O-N 3.38Å; A514-A518 PolarHBondContact O-N 3.36Å |
| 515 | E | 88.8 | Confident | 86.4 | Confident | 29 Ų | 29 | 68.8 Ų | 68.8 | 14% | 0.136 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.1 | -46.7 | 176.7 | -75.6 | -55.6 | 145.3 | 0 | 0 | 112.9 | T468 L471 H472 T511 V512 R517 A518 L519 | T468-E515 VanDerWaalsContact CB-OE1 3.25Å; T468-E515 WeakPolarHBondContact CB-OE1 3.36Å; T468-E515 HydrophobicContact CG2-CG 3.72Å; T468-E515 PolarHBondContact OG1-OE1 3.38Å; L471-E515 HydrophobicContact CD2-CB 4.31Å; L471-E515 HydrophobicContact CD2-CG 4.21Å; H472-E515 IonicContact CG-OE2 2.87Å; H472-E515 IonicContact ND1-OE2 3.02Å; H472-E515 PolarHBondContact ND1-OE2 3.46Å; T511-E515 PolarHBondContact O-N 2.96Å; V512-E515 PolarHBondContact O-N 3.13Å; E515-R517 PolarHBondContact O-N 3.35Å; E515-A518 WeakPolarHBondContact O-CB 3.45Å; E515-A518 PolarHBondContact O-N 3.25Å; E515-L519 PolarHBondContact O-N 3.15Å |
| 516 | L | 87.9 | Confident | 86.4 | Confident | 6 Ų | 6 | 63.7 Ų | 63.7 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.2 | -36 | 175.6 | -70.1 | 175.8 | 0 | 0 | 0 | 111.9 | L475 V500 V512 Y520 L546 T549 | L475-L516 HydrophobicContact CD1-CD2 4.05Å; V500-L516 HydrophobicContact CG1-CD1 4.31Å; V500-L516 HydrophobicContact CG2-CD2 4.37Å; V512-L516 HydrophobicContact CG1-CD1 4.23Å; V512-L516 HydrophobicContact CG1-CG 4.46Å; V512-L516 WeakPolarHBondContact O-CG 3.44Å; V512-L516 PolarHBondContact O-N 3.41Å; L516-Y520 PolarHBondContact O-N 3.23Å; L516-L546 HydrophobicContact CD2-CD2 4.23Å; L516-T549 HydrophobicContact CB-CG2 3.87Å |
| 517 | R | 87.2 | Confident | 86.4 | Confident | 82 Ų | 82 | 61 Ų | 61 | 31% | 0.309 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.7 | -40.1 | 173.7 | -168.9 | -174.6 | -63.9 | 128.7 | 0.4 | 111.8 | K513 A514 E515 Y520 R521 T549 | K513-R517 WeakPolarHBondContact O-CB 3.4Å; K513-R517 PolarHBondContact O-N 3.11Å; K513-R517 VanDerWaalsContact O-N 3.08Å; A514-R517 WeakPolarHBondContact O-CB 3.47Å; A514-R517 PolarHBondContact O-N 3.38Å; E515-R517 PolarHBondContact O-N 3.35Å; R517-Y520 PolarHBondContact O-N 3.18Å; R517-R521 WeakPolarHBondContact O-CG 3.37Å; R517-R521 PolarHBondContact O-N 3.25Å; R517-R521 VanDerWaalsContact O-N 3.07Å; R517-T549 PolarHBondContact NE-O 2.59Å |
| 518 | A | 85.9 | Confident | 86.3 | Confident | 36 Ų | 36 | 63 Ų | 63 | 30% | 0.298 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | A514 E515 R521 T522 | A514-A518 PolarHBondContact O-N 3.36Å; E515-A518 WeakPolarHBondContact O-CB 3.45Å; E515-A518 PolarHBondContact O-N 3.25Å; A518-R521 PolarHBondContact O-N 3.3Å; A518-T522 WeakPolarHBondContact O-CG2 3.31Å; A518-T522 PolarHBondContact O-N 3.44Å; A518-T522 PolarHBondContact O-OG1 3.04Å |
| 519 | L | 87.4 | Confident | 86.2 | Confident | 7 Ų | 7 | 63.8 Ų | 63.8 | 4% | 0.037 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.1 | -49.5 | 174.5 | -172.5 | 72.3 | 0 | 0 | 0 | 111.4 | L475 V476 L479 E515 R521 T522 H523 V527 | L475-L519 HydrophobicContact CB-CD1 4.35Å; L475-L519 HydrophobicContact CB-CD2 4.06Å; V476-L519 HydrophobicContact CG2-CD1 3.67Å; L479-L519 HydrophobicContact CD2-CD1 4.16Å; L479-L519 HydrophobicContact CD2-CG 4.39Å; E515-L519 PolarHBondContact O-N 3.15Å; L519-R521 VanDerWaalsContact C-N 3.33Å; L519-R521 PolarHBondContact O-N 3.46Å; L519-T522 PolarHBondContact O-N 3.13Å; L519-T522 PolarHBondContact O-OG1 3.03Å; L519-T522 VanDerWaalsContact O-OG1 3.08Å; L519-H523 PolarHBondContact O-N 2.99Å; L519-V527 HydrophobicContact CD2-CG2 4.41Å; L519-V527 HydrophobicContact CG-CG2 4.23Å |
| 520 | Y | 84.6 | Confident | 86.2 | Confident | 63 Ų | 63 | 57.9 Ų | 57.9 | 25% | 0.247 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.4 | -40 | 177.7 | -177 | -88.7 | 0 | 0 | 0 | 112.9 | L516 R517 T524 V527 V550 | L516-Y520 PolarHBondContact O-N 3.23Å; R517-Y520 PolarHBondContact O-N 3.18Å; Y520-T524 HydrophobicContact CE1-CG2 4.26Å; Y520-T524 VanDerWaalsContact O-CA 3.24Å; Y520-T524 WeakPolarHBondContact O-CA 3.46Å; Y520-T524 PolarHBondContact O-N 2.95Å; Y520-T524 PolarHBondContact O-OG1 3.36Å; Y520-V527 HydrophobicContact CD2-CB 4.13Å; Y520-V527 HydrophobicContact CD2-CG1 3.66Å; Y520-V527 HydrophobicContact CE2-CG1 4.33Å; Y520-V550 HydrophobicContact CD1-CG2 4.07Å; Y520-V550 HydrophobicContact CD2-CG2 3.96Å; Y520-V550 HydrophobicContact CE1-CG1 4.37Å; Y520-V550 HydrophobicContact CE1-CG2 3.95Å; Y520-V550 HydrophobicContact CE2-CG2 3.82Å; Y520-V550 HydrophobicContact CG-CG2 4.09Å |
| 521 | R | 85.1 | Confident | 86.1 | Confident | 188 Ų | 188 | 53.1 Ų | 53.1 | 71% | 0.709 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -70.1 | -32.6 | -179.9 | -76.7 | 177.8 | 177.6 | 179.3 | -0.5 | 113.4 | R517 A518 L519 | R517-R521 WeakPolarHBondContact O-CG 3.37Å; R517-R521 PolarHBondContact O-N 3.25Å; R517-R521 VanDerWaalsContact O-N 3.07Å; A518-R521 PolarHBondContact O-N 3.3Å; L519-R521 VanDerWaalsContact C-N 3.33Å; L519-R521 PolarHBondContact O-N 3.46Å |
| 522 | T | 83.7 | Confident | 86 | Confident | 88 Ų | 88 | 56.1 Ų | 56.1 | 54% | 0.54 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -86.8 | -36.1 | -177.9 | 48.6 | 0 | 0 | 0 | 0 | 112 | A518 L519 | A518-T522 WeakPolarHBondContact O-CG2 3.31Å; A518-T522 PolarHBondContact O-N 3.44Å; A518-T522 PolarHBondContact O-OG1 3.04Å; L519-T522 PolarHBondContact O-N 3.13Å; L519-T522 PolarHBondContact O-OG1 3.03Å; L519-T522 VanDerWaalsContact O-OG1 3.08Å |
| 523 | H | 85.1 | Confident | 85.8 | Confident | 42 Ų | 42 | 57.1 Ų | 57.1 | 19% | 0.194 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -125.9 | 56.6 | -174.3 | -59.1 | 85.3 | 0 | 0 | 0 | 110.9 | L479 L519 E525 E526 V527 | L479-H523 HydrophobicContact CD2-CB 3.7Å; L519-H523 PolarHBondContact O-N 2.99Å; H523-E525 PolarHBondContact O-N 3.31Å; H523-E526 WeakPolarHBondContact CA-OE2 3.33Å; H523-E526 HydrophobicContact CB-CB 4.4Å; H523-E526 WeakPolarHBondContact CB-OE2 3.29Å; H523-V527 WeakPolarHBondContact O-CB 3.22Å; H523-V527 WeakPolarHBondContact O-CG2 3.48Å; H523-V527 PolarHBondContact O-N 3.31Å |
| 524 | T | 85.3 | Confident | 85.7 | Confident | 60 Ų | 60 | 53.5 Ų | 53.5 | 37% | 0.368 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | -172.3 | -57.3 | 0 | 0 | 0 | 0 | 112.3 | Y520 T528 | Y520-T524 HydrophobicContact CE1-CG2 4.26Å; Y520-T524 VanDerWaalsContact O-CA 3.24Å; Y520-T524 WeakPolarHBondContact O-CA 3.46Å; Y520-T524 PolarHBondContact O-N 2.95Å; Y520-T524 PolarHBondContact O-OG1 3.36Å; T524-T528 HydrophobicContact CG2-CG2 4.36Å; T524-T528 WeakPolarHBondContact O-CG2 3.43Å; T524-T528 PolarHBondContact O-N 2.97Å; T524-T528 PolarHBondContact O-OG1 2.72Å |
| 525 | E | 85.7 | Confident | 85.6 | Confident | 156 Ų | 156 | 56.1 Ų | 56.1 | 73% | 0.729 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -66.5 | -48.7 | -176.6 | -63.6 | -169.7 | 169.8 | 0 | 0 | 110.7 | H523 V527 T528 E529 | H523-E525 PolarHBondContact O-N 3.31Å; E525-V527 PolarHBondContact O-N 2.93Å; E525-T528 PolarHBondContact O-N 2.92Å; E525-T528 PolarHBondContact O-OG1 3.12Å; E525-E529 PolarHBondContact O-N 3.23Å; E525-E529 VanDerWaalsContact O-N 3.1Å |
| 526 | E | 86.1 | Confident | 85.3 | Confident | 54 Ų | 54 | 64.1 Ų | 64.1 | 25% | 0.252 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | -179.2 | -57 | 87.3 | 164.7 | 0 | 0 | 111.2 | L479 M483 H523 T528 E529 L530 | L479-E526 HydrophobicContact CD1-CB 3.95Å; L479-E526 HydrophobicContact CD2-CB 3.79Å; L479-E526 HydrophobicContact CG-CB 3.84Å; M483-E526 HydrophobicContact CE-CG 4.31Å; M483-E526 HydrophobicContact CG-CB 4.13Å; M483-E526 HydrophobicContact CG-CG 3.98Å; M483-E526 HydrophobicContact SD-CB 4.08Å; M483-E526 HydrophobicContact SD-CG 4.26Å; H523-E526 WeakPolarHBondContact CA-OE2 3.33Å; H523-E526 HydrophobicContact CB-CB 4.4Å; H523-E526 WeakPolarHBondContact CB-OE2 3.29Å; E526-T528 VanDerWaalsContact C-N 3.3Å; E526-T528 PolarHBondContact O-N 3.38Å; E526-E529 PolarHBondContact O-N 2.97Å; E526-L530 PolarHBondContact O-N 3.27Å |
| 527 | V | 85.1 | Confident | 85 | Confident | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68 | -30.7 | 178.1 | 179.3 | 0 | 0 | 0 | 0 | 111.7 | L479 L519 Y520 H523 E525 S531 L546 | L479-V527 HydrophobicContact CD1-CG2 4.41Å; L479-V527 HydrophobicContact CD2-CG2 3.81Å; L519-V527 HydrophobicContact CD2-CG2 4.41Å; L519-V527 HydrophobicContact CG-CG2 4.23Å; Y520-V527 HydrophobicContact CD2-CB 4.13Å; Y520-V527 HydrophobicContact CD2-CG1 3.66Å; Y520-V527 HydrophobicContact CE2-CG1 4.33Å; H523-V527 WeakPolarHBondContact O-CB 3.22Å; H523-V527 WeakPolarHBondContact O-CG2 3.48Å; H523-V527 PolarHBondContact O-N 3.31Å; E525-V527 PolarHBondContact O-N 2.93Å; V527-S531 WeakPolarHBondContact O-CB 3.45Å; V527-S531 PolarHBondContact O-N 3.48Å; V527-S531 PolarHBondContact O-OG 3.45Å; V527-L546 HydrophobicContact CG1-CD1 4.33Å; V527-L546 HydrophobicContact CG1-CD2 4.26Å |
| 528 | T | 85.2 | Confident | 84.6 | Confident | 49 Ų | 49 | 66 Ų | 66 | 30% | 0.301 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -69.6 | -37.8 | 174.6 | 65.1 | 0 | 0 | 0 | 0 | 112.4 | T524 E525 E526 S531 K532 | T524-T528 HydrophobicContact CG2-CG2 4.36Å; T524-T528 WeakPolarHBondContact O-CG2 3.43Å; T524-T528 PolarHBondContact O-N 2.97Å; T524-T528 PolarHBondContact O-OG1 2.72Å; E525-T528 PolarHBondContact O-N 2.92Å; E525-T528 PolarHBondContact O-OG1 3.12Å; E526-T528 VanDerWaalsContact C-N 3.3Å; E526-T528 PolarHBondContact O-N 3.38Å; T528-S531 PolarHBondContact O-N 3Å; T528-K532 WeakPolarHBondContact O-CG 2.93Å; T528-K532 PolarHBondContact O-N 3.17Å |
| 529 | E | 85.5 | Confident | 84.2 | Confident | 73 Ų | 73 | 67 Ų | 67 | 34% | 0.341 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69 | -39.8 | 174.2 | -71.9 | -54.1 | 142.3 | 0 | 0 | 112.3 | M483 E525 E526 S531 K532 T533 | M483-E529 HydrophobicContact SD-CB 4.47Å; E525-E529 PolarHBondContact O-N 3.23Å; E525-E529 VanDerWaalsContact O-N 3.1Å; E526-E529 PolarHBondContact O-N 2.97Å; E529-S531 VanDerWaalsContact C-N 3.31Å; E529-S531 PolarHBondContact O-N 3.01Å; E529-K532 PolarHBondContact O-N 3.2Å; E529-K532 IonicContact OE1-NZ 2.66Å; E529-K532 PolarHBondContact OE1-NZ 3.1Å; E529-K532 IonicContact OE2-NZ 3.95Å; E529-T533 PolarHBondContact O-N 3.41Å; E529-T533 PolarHBondContact O-OG1 3.38Å |
| 530 | L | 85.4 | Confident | 83.7 | Confident | 4 Ų | 4 | 72.2 Ų | 72.2 | 2% | 0.021 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56.5 | -47 | 170.2 | 178.2 | 63.6 | 0 | 0 | 0 | 110.9 | L479 F482 I493 L496 E526 K532 T533 L534 L546 | L479-L530 HydrophobicContact CD1-CB 4.32Å; L479-L530 HydrophobicContact CD1-CD2 4.07Å; F482-L530 HydrophobicContact CD1-CB 4.26Å; F482-L530 HydrophobicContact CD1-CD1 4.2Å; F482-L530 HydrophobicContact CD2-CD1 3.98Å; F482-L530 HydrophobicContact CE1-CB 3.87Å; F482-L530 HydrophobicContact CE1-CD1 4.18Å; F482-L530 HydrophobicContact CE2-CD1 3.96Å; F482-L530 HydrophobicContact CG-CD1 4.11Å; F482-L530 HydrophobicContact CZ-CB 4.27Å; F482-L530 HydrophobicContact CZ-CD1 4.07Å; I493-L530 HydrophobicContact CG1-CD1 4.12Å; L496-L530 HydrophobicContact CD1-CD2 4.13Å; E526-L530 PolarHBondContact O-N 3.27Å; L530-K532 PolarHBondContact O-N 2.95Å; L530-T533 PolarHBondContact O-N 2.85Å; L530-L534 HydrophobicContact CD1-CD1 4.26Å; L530-L534 HydrophobicContact CD1-CG 4.31Å; L530-L534 HydrophobicContact CG-CD1 3.92Å; L530-L534 HydrophobicContact CG-CG 4.43Å; L530-L534 WeakPolarHBondContact O-CB 3.4Å; L530-L534 VanDerWaalsContact O-CG 3.3Å; L530-L534 WeakPolarHBondContact O-CG 3.26Å; L530-L534 PolarHBondContact O-N 2.82Å; L530-L546 HydrophobicContact CD2-CD1 4.4Å |
| 531 | S | 84.4 | Confident | 83.3 | Confident | 18 Ų | 18 | 71.6 Ų | 71.6 | 13% | 0.126 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 179.7 | -60.5 | 0 | 0 | 0 | 0 | 112.5 | V527 T528 E529 T533 L534 I535 | V527-S531 WeakPolarHBondContact O-CB 3.45Å; V527-S531 PolarHBondContact O-N 3.48Å; V527-S531 PolarHBondContact O-OG 3.45Å; T528-S531 PolarHBondContact O-N 3Å; E529-S531 VanDerWaalsContact C-N 3.31Å; E529-S531 PolarHBondContact O-N 3.01Å; S531-T533 VanDerWaalsContact C-N 3.32Å; S531-T533 PolarHBondContact O-N 3.35Å; S531-L534 PolarHBondContact O-N 3.49Å; S531-I535 WeakPolarHBondContact O-CD1 3.32Å; S531-I535 VanDerWaalsContact O-CG1 3.26Å; S531-I535 WeakPolarHBondContact O-CG1 3.24Å; S531-I535 PolarHBondContact O-N 3.39Å; S531-I535 VanDerWaalsContact O-N 3.13Å |
| 532 | K | 85.3 | Confident | 82.9 | Confident | 97 Ų | 97 | 62.9 Ų | 62.9 | 42% | 0.422 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 175.2 | -71 | 170.2 | -168 | 167.9 | 0 | 111.5 | T528 E529 L530 I535 R536 | T528-K532 WeakPolarHBondContact O-CG 2.93Å; T528-K532 PolarHBondContact O-N 3.17Å; E529-K532 PolarHBondContact O-N 3.2Å; E529-K532 IonicContact OE1-NZ 2.66Å; E529-K532 PolarHBondContact OE1-NZ 3.1Å; E529-K532 IonicContact OE2-NZ 3.95Å; L530-K532 PolarHBondContact O-N 2.95Å; K532-I535 PolarHBondContact O-N 3.47Å; K532-R536 WeakPolarHBondContact O-CG 3.48Å; K532-R536 PolarHBondContact O-N 3.22Å; K532-R536 VanDerWaalsContact O-N 3.14Å |
| 533 | T | 83.6 | Confident | 82.6 | Confident | 24 Ų | 24 | 59.1 Ų | 59.1 | 15% | 0.147 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.8 | -43.1 | -178.7 | -53.7 | 0 | 0 | 0 | 0 | 111.2 | F482 P489 I493 E529 L530 S531 I535 R536 T537 | F482-T533 HydrophobicContact CE2-CG2 4.11Å; F482-T533 HydrophobicContact CZ-CG2 4.33Å; P489-T533 HydrophobicContact CG-CG2 4.18Å; I493-T533 HydrophobicContact CD1-CG2 3.96Å; E529-T533 PolarHBondContact O-N 3.41Å; E529-T533 PolarHBondContact O-OG1 3.38Å; L530-T533 PolarHBondContact O-N 2.85Å; S531-T533 VanDerWaalsContact C-N 3.32Å; S531-T533 PolarHBondContact O-N 3.35Å; T533-I535 VanDerWaalsContact C-N 3.31Å; T533-I535 PolarHBondContact O-N 3.34Å; T533-R536 WeakPolarHBondContact O-CB 3.4Å; T533-R536 PolarHBondContact O-N 3.06Å; T533-R536 VanDerWaalsContact O-N 3.1Å; T533-T537 PolarHBondContact O-N 3.33Å; T533-T537 PolarHBondContact O-OG1 3.45Å |
| 534 | L | 84.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58 | -40.1 | 174.2 | -75.9 | 166.9 | 0 | 0 | 0 | 113.2 | I493 L530 S531 T537 G538 R539 L542 V543 L546 | I493-L534 HydrophobicContact CG2-CD2 3.33Å; I493-L534 HydrophobicContact CG2-CG 4.38Å; L530-L534 HydrophobicContact CD1-CD1 4.26Å; L530-L534 HydrophobicContact CD1-CG 4.31Å; L530-L534 HydrophobicContact CG-CD1 3.92Å; L530-L534 HydrophobicContact CG-CG 4.43Å; L530-L534 WeakPolarHBondContact O-CB 3.4Å; L530-L534 VanDerWaalsContact O-CG 3.3Å; L530-L534 WeakPolarHBondContact O-CG 3.26Å; L530-L534 PolarHBondContact O-N 2.82Å; S531-L534 PolarHBondContact O-N 3.49Å; L534-T537 WeakPolarHBondContact CA-OG1 3.46Å; L534-T537 PolarHBondContact O-N 3.08Å; L534-T537 PolarHBondContact O-OG1 2.82Å; L534-T537 VanDerWaalsContact O-OG1 3.11Å; L534-G538 PolarHBondContact O-N 3.33Å; L534-G538 VanDerWaalsContact O-N 3.16Å; L534-R539 HydrophobicContact CD2-CB 3.86Å; L534-R539 PolarHBondContact O-N 2.98Å; L534-L542 HydrophobicContact CD1-CB 4.24Å; L534-L542 HydrophobicContact CD1-CD2 3.63Å; L534-L542 HydrophobicContact CD1-CG 4.03Å; L534-L542 HydrophobicContact CD2-CB 4.46Å; L534-L542 HydrophobicContact CD2-CD2 3.99Å; L534-L542 HydrophobicContact CG-CD2 4.46Å; L534-V543 HydrophobicContact CB-CG2 3.33Å; L534-V543 HydrophobicContact CD1-CG2 3.89Å; L534-V543 HydrophobicContact CG-CG2 4.21Å; L534-L546 HydrophobicContact CD1-CD1 4.2Å |
| 535 | I | 85.1 | Confident | 82.1 | Confident | 100 Ų | 100 | 63.7 Ų | 63.7 | 51% | 0.513 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 175.7 | -67.4 | 164.5 | 0 | 0 | 0 | 110.4 | S531 K532 T533 T537 G538 V543 | S531-I535 WeakPolarHBondContact O-CD1 3.32Å; S531-I535 VanDerWaalsContact O-CG1 3.26Å; S531-I535 WeakPolarHBondContact O-CG1 3.24Å; S531-I535 PolarHBondContact O-N 3.39Å; S531-I535 VanDerWaalsContact O-N 3.13Å; K532-I535 PolarHBondContact O-N 3.47Å; T533-I535 VanDerWaalsContact C-N 3.31Å; T533-I535 PolarHBondContact O-N 3.34Å; I535-T537 VanDerWaalsContact C-N 3.32Å; I535-T537 PolarHBondContact O-N 3.09Å; I535-G538 PolarHBondContact O-N 3.22Å; I535-V543 HydrophobicContact CD1-CG1 4.44Å; I535-V543 HydrophobicContact CG1-CG1 4.2Å; I535-V543 HydrophobicContact CG1-CG2 4.15Å |
| 536 | R | 83.6 | Confident | 81.7 | Confident | 197 Ų | 197 | 56.6 Ų | 56.6 | 74% | 0.743 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.5 | -36.5 | 177.2 | -70.4 | 172.4 | -178.5 | 165.3 | 1.9 | 112.3 | K532 T533 G538 | K532-R536 WeakPolarHBondContact O-CG 3.48Å; K532-R536 PolarHBondContact O-N 3.22Å; K532-R536 VanDerWaalsContact O-N 3.14Å; T533-R536 WeakPolarHBondContact O-CB 3.4Å; T533-R536 PolarHBondContact O-N 3.06Å; T533-R536 VanDerWaalsContact O-N 3.1Å; R536-G538 VanDerWaalsContact C-N 3.29Å |
| 537 | T | 80.7 | Confident | 81 | Confident | 74 Ų | 74 | 58.8 Ų | 58.8 | 45% | 0.454 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 2.3 | 178.6 | 57.2 | 0 | 0 | 0 | 0 | 113.6 | T533 L534 I535 R539 | T533-T537 PolarHBondContact O-N 3.33Å; T533-T537 PolarHBondContact O-OG1 3.45Å; L534-T537 WeakPolarHBondContact CA-OG1 3.46Å; L534-T537 PolarHBondContact O-N 3.08Å; L534-T537 PolarHBondContact O-OG1 2.82Å; L534-T537 VanDerWaalsContact O-OG1 3.11Å; I535-T537 VanDerWaalsContact C-N 3.32Å; I535-T537 PolarHBondContact O-N 3.09Å; T537-R539 VanDerWaalsContact C-N 3.29Å; T537-R539 PolarHBondContact O-N 2.9Å |
| 538 | G | 79.1 | Confident | 80.4 | Confident | 53 Ų | 53 | 63.6 Ų | 63.6 | 55% | 0.546 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 15.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | L534 I535 R536 L540 | L534-G538 PolarHBondContact O-N 3.33Å; L534-G538 VanDerWaalsContact O-N 3.16Å; I535-G538 PolarHBondContact O-N 3.22Å; R536-G538 VanDerWaalsContact C-N 3.29Å; G538-L540 PolarHBondContact O-N 3.39Å |
| 539 | R | 77.3 | Confident | 79.5 | Confident | 59 Ų | 59 | 61.5 Ų | 61.5 | 22% | 0.223 | 32% | 0.316 | C | S | . | . | trans | -92.5 | 72.7 | -175.8 | -67.3 | -127 | -81.5 | -139.7 | -18.3 | 111.5 | S490 I493 T494 E497 L534 T537 G541 V543 | S490-R539 PolarHBondContact O-NH2 3.41Å; I493-R539 VanDerWaalsContact C-NH2 3.27Å; I493-R539 VanDerWaalsContact CB-NH2 3.28Å; T494-R539 PolarHBondContact OG1-NH1 3.35Å; T494-R539 PolarHBondContact OG1-NH2 2.96Å; E497-R539 WeakPolarHBondContact OE1-CB 3.41Å; E497-R539 WeakPolarHBondContact OE1-CD 3.5Å; E497-R539 IonicContact OE1-CZ 3.16Å; E497-R539 IonicContact OE1-NE 2.97Å; E497-R539 PolarHBondContact OE1-NE 3.06Å; E497-R539 WeakPolarHBondContact OE2-CD 3.22Å; E497-R539 IonicContact OE2-CZ 3.55Å; E497-R539 IonicContact OE2-NE 3.21Å; E497-R539 PolarHBondContact OE2-NE 3.4Å; E497-R539 IonicContact OE2-NH1 3.88Å; E497-R539 PolarHBondContact OE2-NH1 3.17Å; L534-R539 HydrophobicContact CD2-CB 3.86Å; L534-R539 PolarHBondContact O-N 2.98Å; T537-R539 VanDerWaalsContact C-N 3.29Å; T537-R539 PolarHBondContact O-N 2.9Å; R539-G541 VanDerWaalsContact C-N 3.33Å; R539-G541 PolarHBondContact O-N 3.23Å; R539-V543 WeakPolarHBondContact O-CG2 3.45Å | ||
| 540 | L | 77.5 | Confident | 78.5 | Confident | 115 Ų | 115 | 61 Ų | 61 | 60% | 0.602 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -73.9 | -18.7 | -171 | -60 | 176 | 0 | 0 | 0 | 114.5 | G538 K544 | G538-L540 PolarHBondContact O-N 3.39Å; L540-K544 WeakPolarHBondContact O-CB 3.36Å; L540-K544 PolarHBondContact O-N 3.49Å |
| 541 | G | 77 | Confident | 77 | Confident | 50 Ų | 50 | 65.5 Ų | 65.5 | 52% | 0.515 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.8 | -50.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R539 K544 R545 | R539-G541 VanDerWaalsContact C-N 3.33Å; R539-G541 PolarHBondContact O-N 3.23Å; G541-K544 PolarHBondContact O-N 3.22Å; G541-R545 PolarHBondContact O-N 3.36Å |
| 542 | L | 77.1 | Confident | 75.2 | Confident | 5 Ų | 5 | 70.4 Ų | 70.4 | 3% | 0.026 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -69.8 | -37.2 | 178.4 | -174.1 | 66.4 | 0 | 0 | 0 | 112.3 | L496 E497 V500 L534 K544 R545 L546 | L496-L542 HydrophobicContact CD2-CD1 4.01Å; L496-L542 HydrophobicContact CD2-CD2 3.33Å; L496-L542 HydrophobicContact CD2-CG 4.26Å; E497-L542 HydrophobicContact CG-CB 3.96Å; E497-L542 HydrophobicContact CG-CD2 3.7Å; E497-L542 HydrophobicContact CG-CG 4.3Å; V500-L542 HydrophobicContact CB-CD1 4.38Å; V500-L542 HydrophobicContact CG1-CD1 4.32Å; V500-L542 HydrophobicContact CG2-CD1 4.24Å; L534-L542 HydrophobicContact CD1-CB 4.24Å; L534-L542 HydrophobicContact CD1-CD2 3.63Å; L534-L542 HydrophobicContact CD1-CG 4.03Å; L534-L542 HydrophobicContact CD2-CB 4.46Å; L534-L542 HydrophobicContact CD2-CD2 3.99Å; L534-L542 HydrophobicContact CG-CD2 4.46Å; L542-K544 VanDerWaalsContact C-N 3.3Å; L542-K544 PolarHBondContact O-N 2.79Å; L542-R545 PolarHBondContact O-N 3.32Å; L542-L546 HydrophobicContact CG-CD1 4.2Å; L542-L546 WeakPolarHBondContact O-CG 3.34Å; L542-L546 PolarHBondContact O-N 3.28Å |
| 543 | V | 77 | Confident | 73 | Confident | 10 Ų | 10 | 76.1 Ų | 76.1 | 6% | 0.061 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -58.1 | -44.7 | 174.3 | 177.5 | 0 | 0 | 0 | 0 | 110.6 | L534 I535 R539 R545 L546 L547 | L534-V543 HydrophobicContact CB-CG2 3.33Å; L534-V543 HydrophobicContact CD1-CG2 3.89Å; L534-V543 HydrophobicContact CG-CG2 4.21Å; I535-V543 HydrophobicContact CD1-CG1 4.44Å; I535-V543 HydrophobicContact CG1-CG1 4.2Å; I535-V543 HydrophobicContact CG1-CG2 4.15Å; R539-V543 WeakPolarHBondContact O-CG2 3.45Å; V543-R545 VanDerWaalsContact C-N 3.34Å; V543-R545 PolarHBondContact O-N 3.05Å; V543-L546 PolarHBondContact O-N 2.96Å; V543-L547 HydrophobicContact CG1-CD1 3.67Å; V543-L547 HydrophobicContact CG1-CG 4.17Å; V543-L547 WeakPolarHBondContact O-CB 3.29Å; V543-L547 VanDerWaalsContact O-CG 3.24Å; V543-L547 WeakPolarHBondContact O-CG 3.45Å; V543-L547 PolarHBondContact O-N 2.98Å |
| 544 | K | 79.3 | Confident | 70.9 | Confident | 133 Ų | 133 | 84 Ų | 84 | 58% | 0.578 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -59.8 | -44.8 | 177.4 | -176.4 | 177.2 | 172.4 | -177.7 | 0 | 111.4 | L540 G541 L542 L547 E548 | L540-K544 WeakPolarHBondContact O-CB 3.36Å; L540-K544 PolarHBondContact O-N 3.49Å; G541-K544 PolarHBondContact O-N 3.22Å; L542-K544 VanDerWaalsContact C-N 3.3Å; L542-K544 PolarHBondContact O-N 2.79Å; K544-L547 PolarHBondContact O-N 3Å; K544-E548 WeakPolarHBondContact CE-OE1 3.23Å; K544-E548 HydrophobicContact CG-CG 4.42Å; K544-E548 WeakPolarHBondContact CG-OE1 3.2Å; K544-E548 WeakPolarHBondContact O-CB 3.48Å; K544-E548 VanDerWaalsContact O-CG 3.25Å; K544-E548 WeakPolarHBondContact O-CG 3.48Å; K544-E548 PolarHBondContact O-N 3.38Å |
| 545 | R | 79.2 | Confident | 68.7 | Low | 65 Ų | 65 | 92.4 Ų | 92.4 | 25% | 0.245 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 178 | -66.8 | 176.2 | -177.8 | -178.1 | 2.1 | 112.3 | N501 E504 G541 L542 V543 E548 T549 | N501-R545 PolarHBondContact OD1-NH1 2.9Å; N501-R545 PolarHBondContact OD1-NH2 3.49Å; E504-R545 VanDerWaalsContact OE1-CD 3.25Å; E504-R545 WeakPolarHBondContact OE1-CD 3.41Å; E504-R545 IonicContact OE1-CZ 2.65Å; E504-R545 IonicContact OE1-NE 2.75Å; E504-R545 PolarHBondContact OE1-NE 3.37Å; E504-R545 IonicContact OE1-NH1 3.28Å; E504-R545 PolarHBondContact OE1-NH1 3.17Å; E504-R545 IonicContact OE1-NH2 3.89Å; E504-R545 IonicContact OE2-CZ 3.67Å; E504-R545 IonicContact OE2-NE 3.3Å; E504-R545 IonicContact OE2-NH1 3.01Å; E504-R545 PolarHBondContact OE2-NH1 3.49Å; E504-R545 VanDerWaalsContact OE2-NH1 3.11Å; E504-R545 IonicContact OE2-NH2 2.74Å; E504-R545 PolarHBondContact OE2-NH2 2.82Å; G541-R545 PolarHBondContact O-N 3.36Å; L542-R545 PolarHBondContact O-N 3.32Å; V543-R545 VanDerWaalsContact C-N 3.34Å; V543-R545 PolarHBondContact O-N 3.05Å; R545-E548 PolarHBondContact O-N 3.18Å; R545-T549 WeakPolarHBondContact O-CG2 3.45Å; R545-T549 PolarHBondContact O-N 3.12Å |
| 546 | L | 77.6 | Confident | 66.2 | Low | 6 Ų | 6 | 92.1 Ų | 92.1 | 3% | 0.031 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -61.2 | -46.4 | 175.8 | -70.2 | 171 | 0 | 0 | 0 | 110.9 | L516 V527 L530 L534 L542 V543 E548 T549 V550 | L516-L546 HydrophobicContact CD2-CD2 4.23Å; V527-L546 HydrophobicContact CG1-CD1 4.33Å; V527-L546 HydrophobicContact CG1-CD2 4.26Å; L530-L546 HydrophobicContact CD2-CD1 4.4Å; L534-L546 HydrophobicContact CD1-CD1 4.2Å; L542-L546 HydrophobicContact CG-CD1 4.2Å; L542-L546 WeakPolarHBondContact O-CG 3.34Å; L542-L546 PolarHBondContact O-N 3.28Å; V543-L546 PolarHBondContact O-N 2.96Å; L546-E548 PolarHBondContact O-N 3.13Å; L546-T549 PolarHBondContact O-N 3.34Å; L546-T549 PolarHBondContact O-OG1 3.15Å; L546-V550 WeakPolarHBondContact O-CG2 3.48Å |
| 547 | L | 71.9 | Confident | 63.6 | Low | 100 Ų | 100 | 91.5 Ų | 91.5 | 52% | 0.524 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.2 | -37.4 | 178.7 | -70.2 | 174.6 | 0 | 0 | 0 | 113.4 | V543 K544 T549 V550 V551 | V543-L547 HydrophobicContact CG1-CD1 3.67Å; V543-L547 HydrophobicContact CG1-CG 4.17Å; V543-L547 WeakPolarHBondContact O-CB 3.29Å; V543-L547 VanDerWaalsContact O-CG 3.24Å; V543-L547 WeakPolarHBondContact O-CG 3.45Å; V543-L547 PolarHBondContact O-N 2.98Å; K544-L547 PolarHBondContact O-N 3Å; L547-T549 PolarHBondContact O-N 3.43Å; L547-V550 WeakPolarHBondContact O-CB 3.13Å; L547-V550 PolarHBondContact O-N 2.94Å; L547-V551 PolarHBondContact O-N 2.63Å |
| 548 | E | 71.8 | Confident | 61.1 | Low | 103 Ų | 103 | 99.9 Ų | 99.9 | 48% | 0.481 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.4 | -26.5 | 175.4 | -79.8 | 176.2 | -174.7 | 0 | 0 | 112.5 | K544 R545 L546 | K544-E548 WeakPolarHBondContact CE-OE1 3.23Å; K544-E548 HydrophobicContact CG-CG 4.42Å; K544-E548 WeakPolarHBondContact CG-OE1 3.2Å; K544-E548 WeakPolarHBondContact O-CB 3.48Å; K544-E548 VanDerWaalsContact O-CG 3.25Å; K544-E548 WeakPolarHBondContact O-CG 3.48Å; K544-E548 PolarHBondContact O-N 3.38Å; R545-E548 PolarHBondContact O-N 3.18Å; L546-E548 PolarHBondContact O-N 3.13Å |
| 549 | T | 67.6 | Low | 58.7 | Low | 6 Ų | 6 | 106.6 Ų | 106.6 | 4% | 0.037 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -79.1 | -20 | 175.6 | 67.8 | 0 | 0 | 0 | 0 | 113.9 | K513 L516 R517 R545 L546 L547 | K513-T549 HydrophobicContact CB-CG2 4.44Å; L516-T549 HydrophobicContact CB-CG2 3.87Å; R517-T549 PolarHBondContact NE-O 2.59Å; R545-T549 WeakPolarHBondContact O-CG2 3.45Å; R545-T549 PolarHBondContact O-N 3.12Å; L546-T549 PolarHBondContact O-N 3.34Å; L546-T549 PolarHBondContact O-OG1 3.15Å; L547-T549 PolarHBondContact O-N 3.43Å |
| 550 | V | 63.3 | Low | 56.2 | Low | 62 Ų | 62 | 109.2 Ų | 109.2 | 38% | 0.376 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -82.6 | -26.3 | 179.9 | -178.7 | 0 | 0 | 0 | 0 | 111.9 | Y520 L546 L547 P552 | Y520-V550 HydrophobicContact CD1-CG2 4.07Å; Y520-V550 HydrophobicContact CD2-CG2 3.96Å; Y520-V550 HydrophobicContact CE1-CG1 4.37Å; Y520-V550 HydrophobicContact CE1-CG2 3.95Å; Y520-V550 HydrophobicContact CE2-CG2 3.82Å; Y520-V550 HydrophobicContact CG-CG2 4.09Å; L546-V550 WeakPolarHBondContact O-CG2 3.48Å; L547-V550 WeakPolarHBondContact O-CB 3.13Å; L547-V550 PolarHBondContact O-N 2.94Å; V550-P552 WeakPolarHBondContact O-CD 3.2Å |
| 551 | V | 54.8 | Low | 53.7 | Low | 99 Ų | 99 | 112.3 Ų | 112.3 | 60% | 0.6 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -71.2 | 121.1 | 177.5 | -175.5 | 0 | 0 | 0 | 0 | 109.9 | L547 R553 | L547-V551 PolarHBondContact O-N 2.63Å; V551-R553 PolarHBondContact O-N 3.28Å |
| 552 | P | 46.1 | Very low | 51.1 | Low | 120 Ų | 120 | 114.9 Ų | 114.9 | 78% | 0.779 | 58% | 0.581 | S | S | * | * | trans | -67.2 | 110.7 | 177.8 | -11.6 | 25.3 | 0 | 0 | 0 | 109.6 | V550 Q554 | V550-P552 WeakPolarHBondContact O-CD 3.2Å; P552-Q554 PolarHBondContact O-N 2.91Å | ||
| 553 | R | 40.4 | Very low | 48.5 | Very low | 218 Ų | 218 | 122 Ų | 122 | 82% | 0.823 | 61% | 0.607 | S | S | * | * | trans | -68.4 | 130 | 158.3 | -91.3 | -173.4 | 171.2 | -178.7 | -3.3 | 107.8 | V551 | V551-R553 PolarHBondContact O-N 3.28Š| ||
| 554 | Q | 39 | Very low | 45.8 | Very low | 188 Ų | 188 | 125.8 Ų | 125.8 | 88% | 0.879 | 63% | 0.634 | S | S | * | * | trans | -46.8 | 138.7 | 175.1 | -71.9 | 173.1 | -20.2 | 0 | 0 | 110.6 | P552 A556 | P552-Q554 PolarHBondContact O-N 2.91Å; Q554-A556 PolarHBondContact O-N 3.48Å | ||
| 555 | L | 38.3 | Very low | 43.1 | Very low | 178 Ų | 178 | 125 Ų | 125 | 93% | 0.932 | 63% | 0.631 | S | S | * | * | trans | -22.8 | 94.9 | 177 | -75.2 | 147.3 | 0 | 0 | 0 | 113.5 | ||||
| 556 | A | 31.5 | Very low | 40.3 | Very low | 93 Ų | 93 | 126.9 Ų | 126.9 | 77% | 0.769 | 65% | 0.654 | S | S | * | * | trans | -80.2 | 129.7 | 155.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | Q554 | Q554-A556 PolarHBondContact O-N 3.48Š| ||
| 557 | E | 29.1 | Very low | 37.7 | Very low | 184 Ų | 184 | 130.9 Ų | 130.9 | 86% | 0.86 | 68% | 0.675 | S | S | * | * | trans | -47.2 | 138.1 | -177.2 | -66.3 | 177 | 153.4 | 0 | 0 | 111.7 | K559 | E557-K559 PolarHBondContact O-N 2.96Š| ||
| 558 | R | 29.2 | Very low | 35.5 | Very low | 251 Ų | 251 | 134 Ų | 134 | 95% | 0.947 | 70% | 0.698 | S | S | * | * | trans | -54.7 | 98.4 | 172 | -81.4 | 178.5 | 169.5 | 174 | -4.3 | 108.7 | ||||
| 559 | K | 28.6 | Very low | 33.6 | Very low | 194 Ų | 194 | 135.6 Ų | 135.6 | 84% | 0.843 | 71% | 0.709 | S | S | * | * | trans | -64.6 | 136.3 | 160.8 | -81.7 | -174.2 | 173.9 | -175.4 | 0 | 108 | E557 | E557-K559 PolarHBondContact O-N 2.96Š| ||
| 560 | P | 23.8 | Very low | 31.9 | Very low | 113 Ų | 113 | 142.4 Ų | 142.4 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | trans | -62.4 | 146.2 | 178.1 | 27 | -33 | 0 | 0 | 0 | 109.6 | S562 | P560-S562 PolarHBondContact O-N 2.96Š| ||
| 561 | L | 26.3 | Very low | 30.1 | Very low | 181 Ų | 181 | 146.8 Ų | 146.8 | 95% | 0.948 | 77% | 0.765 | S | S | * | * | trans | -59.2 | 86.2 | 169.3 | -79.8 | 142.2 | 0 | 0 | 0 | 109.3 | R563 | L561-R563 PolarHBondContact O-N 3.09Å; L561-R563 VanDerWaalsContact O-N 3.17Å | ||
| 562 | S | 21.2 | Very low | 28.7 | Very low | 103 Ų | 103 | 149.6 Ų | 149.6 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | -74.6 | 97.3 | 163.8 | 57.6 | 0 | 0 | 0 | 0 | 107.5 | P560 S564 | P560-S562 PolarHBondContact O-N 2.96Å; S562-S564 PolarHBondContact O-N 3.03Å | ||
| 563 | R | 22.8 | Very low | 27.6 | Very low | 154 Ų | 154 | 151.5 Ų | 151.5 | 58% | 0.581 | 77% | 0.774 | S | S | * | * | trans | -64.8 | 92.1 | 158 | -76.8 | 178 | 172.8 | -173.9 | -8 | 106.7 | N347 L561 F565 | N347-R563 PolarHBondContact OD1-NH1 3.03Å; N347-R563 PolarHBondContact OD1-NH2 3.31Å; L561-R563 PolarHBondContact O-N 3.09Å; L561-R563 VanDerWaalsContact O-N 3.17Å; R563-F565 VanDerWaalsContact C-N 3.33Å; R563-F565 HydrophobicContact CB-CD2 4.33Å; R563-F565 HydrophobicContact CB-CE2 4.14Å; R563-F565 PolarHBondContact O-N 3.4Å; R563-F565 VanDerWaalsContact O-N 3.12Å | ||
| 564 | S | 20 | Very low | 26.7 | Very low | 90 Ų | 90 | 147.1 Ų | 147.1 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | trans | -74.8 | 93.5 | 164.8 | 51.7 | 0 | 0 | 0 | 0 | 107.2 | S562 S566 | S562-S564 PolarHBondContact O-N 3.03Å; S564-S566 PolarHBondContact O-N 2.87Å | ||
| 565 | F | 22.2 | Very low | 25.8 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 52% | 0.518 | 76% | 0.764 | S | S | . | * | trans | -67.5 | 106.7 | 156.9 | -74.3 | -81.8 | 0 | 0 | 0 | 106.7 | R563 L567 | R563-F565 VanDerWaalsContact C-N 3.33Å; R563-F565 HydrophobicContact CB-CD2 4.33Å; R563-F565 HydrophobicContact CB-CE2 4.14Å; R563-F565 PolarHBondContact O-N 3.4Å; R563-F565 VanDerWaalsContact O-N 3.12Å; F565-L567 VanDerWaalsContact C-N 3.29Å; F565-L567 HydrophobicContact CB-CG 4.45Å; F565-L567 PolarHBondContact O-N 3.28Å | ||
| 566 | S | 20.4 | Very low | 24.9 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | trans | -67 | 97.5 | 162.4 | -174.4 | 0 | 0 | 0 | 0 | 106.9 | S564 T568 | S564-S566 PolarHBondContact O-N 2.87Å; S566-T568 VanDerWaalsContact C-N 3.31Å; S566-T568 PolarHBondContact O-N 2.85Å | ||
| 567 | L | 22.8 | Very low | 24.3 | Very low | 90 Ų | 90 | 145.6 Ų | 145.6 | 47% | 0.471 | 75% | 0.749 | S | S | . | * | trans | -82.2 | 85.8 | 168.4 | -68 | 157.2 | 0 | 0 | 0 | 106.3 | L306 F565 | L306-L567 HydrophobicContact CB-CD1 4.49Å; L306-L567 HydrophobicContact CB-CD2 3.85Å; L306-L567 HydrophobicContact CD2-CD2 3.27Å; L306-L567 HydrophobicContact CG-CD2 4.09Å; L306-L567 WeakPolarHBondContact O-CD1 3.45Å; F565-L567 VanDerWaalsContact C-N 3.29Å; F565-L567 HydrophobicContact CB-CG 4.45Å; F565-L567 PolarHBondContact O-N 3.28Å | ||
| 568 | T | 25.6 | Very low | 23.9 | Very low | 166 Ų | 166 | 142.1 Ų | 142.1 | 100% | 1.018 | 74% | 0.739 | S | S | * | * | trans | -97.2 | 0 | 156.7 | 40.8 | 0 | 0 | 0 | 0 | 109.5 | S566 | S566-T568 VanDerWaalsContact C-N 3.31Å; S566-T568 PolarHBondContact O-N 2.85Å |
Retrieved 568 of 568 residues in 178.1 ms
(Link to these results)