| 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 | 35.5 | Very low | 50.7 | Low | 233 Ų | 233 | 115.6 Ų | 115.6 | 100% | 1.148 | 61% | 0.609 | S | S | * | * | 0 | 108.2 | 0 | -65.4 | -176 | 173.5 | 0 | 0 | 107.1 | |||||
| 2 | P | 41.6 | Very low | 52.1 | Low | 112 Ų | 112 | 117 Ų | 117 | 73% | 0.727 | 61% | 0.609 | S | S | * | * | trans | -84 | 135.2 | -174.4 | 32.5 | -29 | 0 | 0 | 0 | 110.6 | T4 | P2-T4 VanDerWaalsContact C-N 3.29Å; P2-T4 PolarHBondContact O-N 3.41Å | ||
| 3 | C | 39.8 | Very low | 53.7 | Low | 118 Ų | 118 | 122.2 Ų | 122.2 | 80% | 0.797 | 62% | 0.616 | S | S | * | * | trans | -71.9 | 71.2 | 179.6 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 4 | T | 44.3 | Very low | 55.5 | Low | 105 Ų | 105 | 116.1 Ų | 116.1 | 64% | 0.644 | 59% | 0.586 | S | S | * | * | trans | -97.4 | -4.6 | 177.5 | 49.3 | 0 | 0 | 0 | 0 | 113.9 | P2 | P2-T4 VanDerWaalsContact C-N 3.29Å; P2-T4 PolarHBondContact O-N 3.41Å | ||
| 5 | C | 44.8 | Very low | 57 | Low | 107 Ų | 107 | 114.1 Ų | 114.1 | 72% | 0.723 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -85.1 | -19.4 | -175 | -63.8 | 0 | 0 | 0 | 0 | 115.2 | ||
| 6 | T | 48.1 | Very low | 58.4 | Low | 117 Ų | 117 | 110.9 Ų | 110.9 | 72% | 0.718 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -28.6 | -176.5 | 20.4 | 0 | 0 | 0 | 0 | 113.6 | ||
| 7 | W | 51.7 | Low | 59.7 | Low | 154 Ų | 154 | 110.1 Ų | 110.1 | 58% | 0.583 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -22 | -177.9 | -140.5 | -53.2 | 0 | 0 | 0 | 113.3 | W10 S325 F327 | W7-W10 WeakPolarHBondContact O-CB 3.49Å; W7-W10 PolarHBondContact O-N 3.47Å; W7-S325 PolarHBondContact NE1-OG 3.48Å; W7-F327 HydrophobicContact CZ2-CB 3.97Å |
| 8 | R | 53 | Low | 60.7 | Low | 173 Ų | 173 | 105.7 Ų | 105.7 | 65% | 0.653 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -29.4 | -177.4 | -167.4 | 167.6 | 159.6 | -169 | -14 | 112.9 | E323 | R8-E323 IonicContact CZ-OE2 2.82Å; R8-E323 IonicContact NE-OE1 3.98Å; R8-E323 IonicContact NE-OE2 2.66Å; R8-E323 PolarHBondContact NE-OE2 3.19Å; R8-E323 IonicContact NH2-OE1 3.73Å; R8-E323 IonicContact NH2-OE2 3.72Å; R8-E323 PolarHBondContact NH2-OE2 2.94Å |
| 9 | N | 61.3 | Low | 61.8 | Low | 80 Ų | 80 | 103.7 Ų | 103.7 | 43% | 0.428 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 19.6 | 176.3 | -71.5 | -6.3 | 0 | 0 | 0 | 113.8 | R11 Q12 | N9-R11 VanDerWaalsContact C-N 3.25Å; N9-R11 PolarHBondContact O-N 3.26Å; N9-R11 VanDerWaalsContact O-N 3.16Å; N9-Q12 WeakPolarHBondContact O-CB 3.11Å; N9-Q12 PolarHBondContact O-N 3.16Å |
| 10 | W | 69.8 | Low | 62.8 | Low | 27 Ų | 27 | 102.6 Ų | 102.6 | 10% | 0.102 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -57.8 | -35.9 | -171.4 | 99.8 | -87.6 | 0 | 0 | 0 | 113.5 | W7 Q12 W13 I14 L68 L71 C326 | W7-W10 WeakPolarHBondContact O-CB 3.49Å; W7-W10 PolarHBondContact O-N 3.47Å; W10-Q12 PolarHBondContact O-N 2.77Å; W10-W13 PolarHBondContact O-N 3.11Å; W10-W13 VanDerWaalsContact O-N 3.12Å; W10-I14 HydrophobicContact CD2-CG2 4.43Å; W10-I14 HydrophobicContact CE3-CB 3.7Å; W10-I14 HydrophobicContact CE3-CD1 4.04Å; W10-I14 HydrophobicContact CE3-CG1 4.4Å; W10-I14 HydrophobicContact CE3-CG2 3.86Å; W10-I14 HydrophobicContact CH2-CB 4.35Å; W10-I14 HydrophobicContact CH2-CD1 3.72Å; W10-I14 HydrophobicContact CH2-CG2 4.01Å; W10-I14 HydrophobicContact CZ3-CB 3.58Å; W10-I14 HydrophobicContact CZ3-CD1 3.1Å; W10-I14 HydrophobicContact CZ3-CG1 3.82Å; W10-I14 HydrophobicContact CZ3-CG2 3.7Å; W10-I14 PolarHBondContact O-N 2.92Å; W10-L68 HydrophobicContact CH2-CD1 4.39Å; W10-L71 HydrophobicContact CH2-CD2 4.02Å; W10-L71 HydrophobicContact CH2-CG 4.49Å; W10-L71 HydrophobicContact CZ2-CD2 4.48Å; W10-L71 HydrophobicContact CZ2-CG 4.49Å; W10-C326 HydrophobicContact CB-CB 4.47Å; W10-C326 HydrophobicContact CD2-CB 3.31Å; W10-C326 VanDerWaalsContact CE2-CB 3.41Å; W10-C326 HydrophobicContact CE3-CB 3.54Å; W10-C326 HydrophobicContact CG-CB 3.68Å; W10-C326 HydrophobicContact CH2-CB 3.98Å; W10-C326 WeakPolarHBondContact CH2-SG 3.27Å; W10-C326 HydrophobicContact CZ2-CB 3.81Å; W10-C326 HydrophobicContact CZ3-CB 3.78Å; W10-C326 WeakPolarHBondContact CZ3-SG 3.23Å |
| 11 | R | 68.1 | Low | 63.6 | Low | 46 Ų | 46 | 102.6 Ų | 102.6 | 17% | 0.174 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -59.6 | -29.2 | 179.9 | -67.3 | -173.1 | -169.7 | -73 | 5.6 | 112.2 | N9 L71 V72 | N9-R11 VanDerWaalsContact C-N 3.25Å; N9-R11 PolarHBondContact O-N 3.26Å; N9-R11 VanDerWaalsContact O-N 3.16Å; R11-L71 PolarHBondContact NH1-O 3.23Å; R11-V72 HydrophobicContact CB-CG1 4.07Å; R11-V72 WeakPolarHBondContact CD-O 3.24Å; R11-V72 HydrophobicContact CG-CG1 4.22Å; R11-V72 VanDerWaalsContact CZ-O 3.24Å; R11-V72 PolarHBondContact NE-O 2.92Å; R11-V72 PolarHBondContact NH1-O 2.65Å |
| 12 | Q | 67.6 | Low | 65.8 | Low | 132 Ų | 132 | 94.4 Ų | 94.4 | 62% | 0.617 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -80.7 | -34.6 | 178.2 | -66.8 | 178.5 | -18.5 | 0 | 0 | 112.4 | N9 W10 P16 | N9-Q12 WeakPolarHBondContact O-CB 3.11Å; N9-Q12 PolarHBondContact O-N 3.16Å; W10-Q12 PolarHBondContact O-N 2.77Å; Q12-P16 WeakPolarHBondContact O-CD 3.42Å |
| 13 | W | 72.7 | Confident | 67.7 | Low | 184 Ų | 184 | 93.8 Ų | 93.8 | 70% | 0.697 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -88.4 | -25.1 | -177.7 | -72.5 | 87.8 | 0 | 0 | 0 | 113.9 | W10 R15 P16 L17 | W10-W13 PolarHBondContact O-N 3.11Å; W10-W13 VanDerWaalsContact O-N 3.12Å; W13-R15 VanDerWaalsContact C-N 3.34Å; W13-R15 PolarHBondContact O-N 3.41Å; W13-P16 VanDerWaalsContact O-CD 3.23Å; W13-P16 WeakPolarHBondContact O-CD 3.41Å; W13-P16 VanDerWaalsContact O-CG 3.27Å; W13-P16 WeakPolarHBondContact O-CG 3.36Å; W13-L17 WeakPolarHBondContact O-CB 3.18Å; W13-L17 PolarHBondContact O-N 3.17Å |
| 14 | I | 78.4 | Confident | 69.7 | Low | 37 Ų | 37 | 92 Ų | 92 | 19% | 0.19 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -68.7 | -32.8 | -178.8 | -171 | 152 | 0 | 0 | 0 | 113.2 | W10 L17 A18 L68 V72 | W10-I14 HydrophobicContact CD2-CG2 4.43Å; W10-I14 HydrophobicContact CE3-CB 3.7Å; W10-I14 HydrophobicContact CE3-CD1 4.04Å; W10-I14 HydrophobicContact CE3-CG1 4.4Å; W10-I14 HydrophobicContact CE3-CG2 3.86Å; W10-I14 HydrophobicContact CH2-CB 4.35Å; W10-I14 HydrophobicContact CH2-CD1 3.72Å; W10-I14 HydrophobicContact CH2-CG2 4.01Å; W10-I14 HydrophobicContact CZ3-CB 3.58Å; W10-I14 HydrophobicContact CZ3-CD1 3.1Å; W10-I14 HydrophobicContact CZ3-CG1 3.82Å; W10-I14 HydrophobicContact CZ3-CG2 3.7Å; W10-I14 PolarHBondContact O-N 2.92Å; I14-L17 PolarHBondContact O-N 3.12Å; I14-A18 VanDerWaalsContact O-CB 3.28Å; I14-A18 WeakPolarHBondContact O-CB 3.34Å; I14-A18 PolarHBondContact O-N 2.65Å; I14-L68 HydrophobicContact CB-CD1 4.39Å; I14-L68 HydrophobicContact CD1-CD1 3.43Å; I14-L68 VanDerWaalsContact CD1-CD1 3.43Å; I14-L68 HydrophobicContact CG1-CD1 3.64Å; I14-L68 HydrophobicContact CG1-CD2 3.98Å; I14-L68 HydrophobicContact CG1-CG 4.45Å; I14-L68 HydrophobicContact CG2-CD1 3.9Å; I14-L68 HydrophobicContact CG2-CD2 4.39Å; I14-L68 HydrophobicContact CG2-CG 4.49Å; I14-V72 HydrophobicContact CG2-CG2 3.83Å |
| 15 | R | 78.1 | Confident | 71.3 | Confident | 86 Ų | 86 | 89.1 Ų | 89.1 | 33% | 0.325 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.5 | -56 | 176.6 | -69.3 | 179.4 | 178.5 | 166.3 | 3 | 112.2 | W13 L17 A18 V19 W65 H73 | W13-R15 VanDerWaalsContact C-N 3.34Å; W13-R15 PolarHBondContact O-N 3.41Å; R15-L17 VanDerWaalsContact C-N 3.31Å; R15-L17 PolarHBondContact O-N 3.19Å; R15-A18 PolarHBondContact O-N 3.5Å; R15-V19 WeakPolarHBondContact O-CG2 3.43Å; R15-V19 PolarHBondContact O-N 3.42Å; R15-W65 HydrophobicContact CB-CH2 3.97Å; R15-W65 HydrophobicContact CB-CZ3 4.27Å; R15-W65 HydrophobicContact CG-CH2 4.07Å; R15-W65 HydrophobicContact CG-CZ3 4.46Å; R15-H73 PolarHBondContact NH2-CE1 3.42Å; R15-H73 PolarHBondContact NH2-NE2 3Å |
| 16 | P | 79.2 | Confident | 73 | Confident | 63 Ų | 63 | 86.5 Ų | 86.5 | 41% | 0.409 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.2 | -35.2 | 175.8 | 24.7 | -32.6 | 0 | 0 | 0 | 112 | Q12 W13 A18 V19 V20 | Q12-P16 WeakPolarHBondContact O-CD 3.42Å; W13-P16 VanDerWaalsContact O-CD 3.23Å; W13-P16 WeakPolarHBondContact O-CD 3.41Å; W13-P16 VanDerWaalsContact O-CG 3.27Å; W13-P16 WeakPolarHBondContact O-CG 3.36Å; P16-A18 PolarHBondContact O-N 2.72Å; P16-V19 PolarHBondContact O-N 2.89Å; P16-V20 WeakPolarHBondContact O-CB 3.41Å; P16-V20 VanDerWaalsContact O-CG2 3.27Å; P16-V20 WeakPolarHBondContact O-CG2 3.29Å; P16-V20 PolarHBondContact O-N 3.39Å |
| 17 | L | 80.5 | Confident | 74.7 | Confident | 97 Ų | 97 | 85.9 Ų | 85.9 | 51% | 0.508 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.8 | -46.3 | 175.2 | -173.6 | 80.4 | 0 | 0 | 0 | 111.9 | W13 I14 R15 V19 V20 I21 | W13-L17 WeakPolarHBondContact O-CB 3.18Å; W13-L17 PolarHBondContact O-N 3.17Å; I14-L17 PolarHBondContact O-N 3.12Å; R15-L17 VanDerWaalsContact C-N 3.31Å; R15-L17 PolarHBondContact O-N 3.19Å; L17-V19 VanDerWaalsContact C-N 3.32Å; L17-V19 PolarHBondContact O-N 2.74Å; L17-V20 PolarHBondContact O-N 3.29Å; L17-I21 HydrophobicContact CD1-CD1 4.48Å; L17-I21 HydrophobicContact CD2-CD1 4.17Å; L17-I21 HydrophobicContact CG-CD1 3.83Å; L17-I21 HydrophobicContact CG-CG1 4.43Å; L17-I21 WeakPolarHBondContact O-CB 3.32Å; L17-I21 VanDerWaalsContact O-CG1 3.26Å; L17-I21 WeakPolarHBondContact O-CG1 3.49Å; L17-I21 PolarHBondContact O-N 3.04Å |
| 18 | A | 78.2 | Confident | 76.1 | Confident | 32 Ų | 32 | 82.4 Ų | 82.4 | 26% | 0.264 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.9 | -39.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I14 R15 P16 Y22 L68 | I14-A18 VanDerWaalsContact O-CB 3.28Å; I14-A18 WeakPolarHBondContact O-CB 3.34Å; I14-A18 PolarHBondContact O-N 2.65Å; R15-A18 PolarHBondContact O-N 3.5Å; P16-A18 PolarHBondContact O-N 2.72Å; A18-Y22 VanDerWaalsContact O-CB 3.32Å; A18-Y22 WeakPolarHBondContact O-CB 3.27Å; A18-Y22 PolarHBondContact O-N 3.34Å; A18-L68 HydrophobicContact CB-CD2 3.84Å |
| 19 | V | 81.3 | Confident | 77.2 | Confident | 67 Ų | 67 | 75.3 Ų | 75.3 | 41% | 0.406 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 174.3 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | R15 P16 L17 Y22 L23 W65 | R15-V19 WeakPolarHBondContact O-CG2 3.43Å; R15-V19 PolarHBondContact O-N 3.42Å; P16-V19 PolarHBondContact O-N 2.89Å; L17-V19 VanDerWaalsContact C-N 3.32Å; L17-V19 PolarHBondContact O-N 2.74Å; V19-Y22 WeakPolarHBondContact O-CB 3.48Å; V19-Y22 PolarHBondContact O-N 3.29Å; V19-L23 HydrophobicContact CG1-CD1 4.13Å; V19-L23 HydrophobicContact CG1-CG 4.45Å; V19-L23 WeakPolarHBondContact O-CG 3.28Å; V19-L23 PolarHBondContact O-N 3.45Å; V19-W65 HydrophobicContact CG2-CH2 4.42Å; V19-W65 HydrophobicContact CG2-CZ3 3.95Å |
| 20 | V | 81.7 | Confident | 78.1 | Confident | 82 Ų | 82 | 74.7 Ų | 74.7 | 50% | 0.497 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.9 | -46.5 | 177.8 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | P16 L17 Y22 L23 V24 | P16-V20 WeakPolarHBondContact O-CB 3.41Å; P16-V20 VanDerWaalsContact O-CG2 3.27Å; P16-V20 WeakPolarHBondContact O-CG2 3.29Å; P16-V20 PolarHBondContact O-N 3.39Å; L17-V20 PolarHBondContact O-N 3.29Å; V20-Y22 PolarHBondContact O-N 3.44Å; V20-L23 PolarHBondContact O-N 3.3Å; V20-V24 HydrophobicContact CG1-CG2 4.34Å; V20-V24 WeakPolarHBondContact O-CB 3.23Å; V20-V24 VanDerWaalsContact O-CG2 3.27Å; V20-V24 WeakPolarHBondContact O-CG2 3.34Å; V20-V24 PolarHBondContact O-N 3.37Å |
| 21 | I | 80.9 | Confident | 78.6 | Confident | 102 Ų | 102 | 76.9 Ų | 76.9 | 52% | 0.523 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -57.7 | -41.7 | 175.4 | -71.2 | 168.7 | 0 | 0 | 0 | 110.1 | L17 V24 S25 | L17-I21 HydrophobicContact CD1-CD1 4.48Å; L17-I21 HydrophobicContact CD2-CD1 4.17Å; L17-I21 HydrophobicContact CG-CD1 3.83Å; L17-I21 HydrophobicContact CG-CG1 4.43Å; L17-I21 WeakPolarHBondContact O-CB 3.32Å; L17-I21 VanDerWaalsContact O-CG1 3.26Å; L17-I21 WeakPolarHBondContact O-CG1 3.49Å; L17-I21 PolarHBondContact O-N 3.04Å; I21-V24 PolarHBondContact O-N 2.81Å; I21-S25 WeakPolarHBondContact O-CB 3.3Å; I21-S25 PolarHBondContact O-N 3.23Å |
| 22 | Y | 80.9 | Confident | 79 | Confident | 62 Ų | 62 | 79.2 Ų | 79.2 | 24% | 0.243 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.4 | -48.3 | 176.8 | 178.3 | -121.1 | 0 | 0 | 0 | 112.4 | A18 V19 V20 V24 S25 I26 L57 P61 | A18-Y22 VanDerWaalsContact O-CB 3.32Å; A18-Y22 WeakPolarHBondContact O-CB 3.27Å; A18-Y22 PolarHBondContact O-N 3.34Å; V19-Y22 WeakPolarHBondContact O-CB 3.48Å; V19-Y22 PolarHBondContact O-N 3.29Å; V20-Y22 PolarHBondContact O-N 3.44Å; Y22-V24 VanDerWaalsContact C-N 3.3Å; Y22-V24 PolarHBondContact O-N 2.89Å; Y22-S25 WeakPolarHBondContact CA-OG 3.49Å; Y22-S25 WeakPolarHBondContact O-CB 3.43Å; Y22-S25 PolarHBondContact O-N 3.1Å; Y22-S25 VanDerWaalsContact O-N 3.07Å; Y22-S25 PolarHBondContact O-OG 2.93Å; Y22-I26 HydrophobicContact CD1-CD1 3.93Å; Y22-I26 HydrophobicContact CD2-CD1 4.32Å; Y22-I26 HydrophobicContact CD2-CG1 4.4Å; Y22-I26 HydrophobicContact CE1-CD1 3.34Å; Y22-I26 HydrophobicContact CE1-CG1 4.35Å; Y22-I26 HydrophobicContact CE2-CD1 3.76Å; Y22-I26 HydrophobicContact CE2-CG1 3.88Å; Y22-I26 HydrophobicContact CG-CD1 4.41Å; Y22-I26 PolarHBondContact O-N 3.23Å; Y22-L57 VanDerWaalsContact CE2-O 3.31Å; Y22-L57 WeakPolarHBondContact CE2-O 3.26Å; Y22-L57 PolarHBondContact OH-O 2.86Å; Y22-L57 VanDerWaalsContact OH-O 3.12Å; Y22-P61 HydrophobicContact CD1-CB 4.29Å; Y22-P61 HydrophobicContact CD2-CB 3.51Å; Y22-P61 HydrophobicContact CD2-CG 3.91Å; Y22-P61 HydrophobicContact CE1-CB 4.22Å; Y22-P61 HydrophobicContact CE1-CG 4.3Å; Y22-P61 HydrophobicContact CE2-CB 3.46Å; Y22-P61 VanDerWaalsContact CE2-CB 3.46Å; Y22-P61 HydrophobicContact CE2-CG 3.3Å; Y22-P61 HydrophobicContact CG-CB 3.93Å; Y22-P61 VanDerWaalsContact CZ-CG 3.5Å |
| 23 | L | 81.9 | Confident | 79.2 | Confident | 99 Ų | 99 | 73.9 Ų | 73.9 | 52% | 0.518 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.3 | -42.7 | 177.1 | -71.5 | 173.6 | 0 | 0 | 0 | 111.5 | V19 V20 S25 I26 V27 | V19-L23 HydrophobicContact CG1-CD1 4.13Å; V19-L23 HydrophobicContact CG1-CG 4.45Å; V19-L23 WeakPolarHBondContact O-CG 3.28Å; V19-L23 PolarHBondContact O-N 3.45Å; V20-L23 PolarHBondContact O-N 3.3Å; L23-S25 VanDerWaalsContact C-N 3.35Å; L23-I26 PolarHBondContact O-N 3.17Å; L23-V27 VanDerWaalsContact O-CG2 3.26Å; L23-V27 WeakPolarHBondContact O-CG2 3.5Å; L23-V27 PolarHBondContact O-N 3.48Å |
| 24 | V | 81 | Confident | 79.5 | Confident | 81 Ų | 81 | 67.9 Ų | 67.9 | 49% | 0.491 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 174.2 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | V20 I21 Y22 I26 V27 V28 | V20-V24 HydrophobicContact CG1-CG2 4.34Å; V20-V24 WeakPolarHBondContact O-CB 3.23Å; V20-V24 VanDerWaalsContact O-CG2 3.27Å; V20-V24 WeakPolarHBondContact O-CG2 3.34Å; V20-V24 PolarHBondContact O-N 3.37Å; I21-V24 PolarHBondContact O-N 2.81Å; Y22-V24 VanDerWaalsContact C-N 3.3Å; Y22-V24 PolarHBondContact O-N 2.89Å; V24-I26 VanDerWaalsContact C-N 3.32Å; V24-I26 PolarHBondContact O-N 2.82Å; V24-V27 PolarHBondContact O-N 2.77Å; V24-V28 HydrophobicContact CG1-CG2 4.36Å; V24-V28 WeakPolarHBondContact O-CG2 3.35Å; V24-V28 PolarHBondContact O-N 3.45Å |
| 25 | S | 77.7 | Confident | 79.4 | Confident | 44 Ų | 44 | 72.5 Ų | 72.5 | 31% | 0.308 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.2 | -38.4 | 177.7 | 77.6 | 0 | 0 | 0 | 0 | 112.2 | I21 Y22 L23 V28 A29 | I21-S25 WeakPolarHBondContact O-CB 3.3Å; I21-S25 PolarHBondContact O-N 3.23Å; Y22-S25 WeakPolarHBondContact CA-OG 3.49Å; Y22-S25 WeakPolarHBondContact O-CB 3.43Å; Y22-S25 PolarHBondContact O-N 3.1Å; Y22-S25 VanDerWaalsContact O-N 3.07Å; Y22-S25 PolarHBondContact O-OG 2.93Å; L23-S25 VanDerWaalsContact C-N 3.35Å; S25-V28 PolarHBondContact O-N 3.13Å; S25-A29 WeakPolarHBondContact O-CA 3Å; S25-A29 WeakPolarHBondContact O-CB 3.24Å; S25-A29 PolarHBondContact O-N 3.46Å |
| 26 | I | 81.8 | Confident | 79.2 | Confident | 52 Ų | 52 | 71 Ų | 71 | 27% | 0.267 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.1 | -48.5 | 173.3 | -71.5 | 165.8 | 0 | 0 | 0 | 110.2 | Y22 L23 V24 V28 A29 V30 | Y22-I26 HydrophobicContact CD1-CD1 3.93Å; Y22-I26 HydrophobicContact CD2-CD1 4.32Å; Y22-I26 HydrophobicContact CD2-CG1 4.4Å; Y22-I26 HydrophobicContact CE1-CD1 3.34Å; Y22-I26 HydrophobicContact CE1-CG1 4.35Å; Y22-I26 HydrophobicContact CE2-CD1 3.76Å; Y22-I26 HydrophobicContact CE2-CG1 3.88Å; Y22-I26 HydrophobicContact CG-CD1 4.41Å; Y22-I26 PolarHBondContact O-N 3.23Å; L23-I26 PolarHBondContact O-N 3.17Å; V24-I26 VanDerWaalsContact C-N 3.32Å; V24-I26 PolarHBondContact O-N 2.82Å; I26-V28 PolarHBondContact O-N 3.39Å; I26-A29 PolarHBondContact O-N 3.22Å; I26-V30 HydrophobicContact CG2-CG2 3.88Å; I26-V30 VanDerWaalsContact O-CB 3.3Å; I26-V30 WeakPolarHBondContact O-CB 3.36Å; I26-V30 VanDerWaalsContact O-CG2 3.31Å; I26-V30 WeakPolarHBondContact O-CG2 3.1Å; I26-V30 PolarHBondContact O-N 3.47Å |
| 27 | V | 82.7 | Confident | 78.9 | Confident | 104 Ų | 104 | 71.1 Ų | 71.1 | 63% | 0.63 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -62.9 | -26.5 | -177.5 | 170.9 | 0 | 0 | 0 | 0 | 111.9 | L23 V24 P31 | L23-V27 VanDerWaalsContact O-CG2 3.26Å; L23-V27 WeakPolarHBondContact O-CG2 3.5Å; L23-V27 PolarHBondContact O-N 3.48Å; V24-V27 PolarHBondContact O-N 2.77Å; V27-P31 WeakPolarHBondContact O-CD 3.32Å; V27-P31 WeakPolarHBondContact O-CG 3.26Å |
| 28 | V | 81.3 | Confident | 78.4 | Confident | 81 Ų | 81 | 73.9 Ų | 73.9 | 49% | 0.491 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -91.5 | -45.7 | 176.3 | 175.5 | 0 | 0 | 0 | 0 | 111.9 | V24 S25 I26 P31 L32 | V24-V28 HydrophobicContact CG1-CG2 4.36Å; V24-V28 WeakPolarHBondContact O-CG2 3.35Å; V24-V28 PolarHBondContact O-N 3.45Å; S25-V28 PolarHBondContact O-N 3.13Å; I26-V28 PolarHBondContact O-N 3.39Å; V28-P31 WeakPolarHBondContact O-CD 3.5Å; V28-L32 HydrophobicContact CG1-CD1 3.73Å; V28-L32 WeakPolarHBondContact O-CB 3.32Å; V28-L32 WeakPolarHBondContact O-CG 3.16Å; V28-L32 PolarHBondContact O-N 2.81Å |
| 29 | A | 77 | Confident | 78 | Confident | 23 Ų | 23 | 78.7 Ų | 78.7 | 19% | 0.19 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -69.4 | -40.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S25 I26 L32 C33 L57 | S25-A29 WeakPolarHBondContact O-CA 3Å; S25-A29 WeakPolarHBondContact O-CB 3.24Å; S25-A29 PolarHBondContact O-N 3.46Å; I26-A29 PolarHBondContact O-N 3.22Å; A29-L32 PolarHBondContact O-N 3.45Å; A29-C33 VanDerWaalsContact O-CB 3.3Å; A29-C33 WeakPolarHBondContact O-CB 3.48Å; A29-C33 PolarHBondContact O-N 3.47Å; A29-C33 PolarHBondContact O-SG 3.37Å; A29-L57 HydrophobicContact CB-CD1 3.84Å; A29-L57 HydrophobicContact CB-CD2 3.96Å |
| 30 | V | 78.6 | Confident | 77.2 | Confident | 67 Ų | 67 | 78.2 Ų | 78.2 | 41% | 0.406 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.2 | -49.3 | -178.6 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | I26 L32 C33 V34 | I26-V30 HydrophobicContact CG2-CG2 3.88Å; I26-V30 VanDerWaalsContact O-CB 3.3Å; I26-V30 WeakPolarHBondContact O-CB 3.36Å; I26-V30 VanDerWaalsContact O-CG2 3.31Å; I26-V30 WeakPolarHBondContact O-CG2 3.1Å; I26-V30 PolarHBondContact O-N 3.47Å; V30-L32 PolarHBondContact O-N 3.22Å; V30-C33 PolarHBondContact O-N 3.3Å; V30-V34 HydrophobicContact CG1-CG2 4.44Å; V30-V34 WeakPolarHBondContact O-CB 3.44Å; V30-V34 VanDerWaalsContact O-CG2 3.24Å; V30-V34 WeakPolarHBondContact O-CG2 3.23Å; V30-V34 PolarHBondContact O-N 2.91Å |
| 31 | P | 80.9 | Confident | 75.9 | Confident | 74 Ų | 74 | 83.1 Ų | 83.1 | 48% | 0.481 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.5 | -37.8 | 174.8 | -26.4 | 37.9 | 0 | 0 | 0 | 113.9 | V27 V28 V34 W35 | V27-P31 WeakPolarHBondContact O-CD 3.32Å; V27-P31 WeakPolarHBondContact O-CG 3.26Å; V28-P31 WeakPolarHBondContact O-CD 3.5Å; P31-V34 PolarHBondContact O-N 3.25Å; P31-W35 VanDerWaalsContact O-CB 3.29Å; P31-W35 WeakPolarHBondContact O-CB 3.36Å; P31-W35 PolarHBondContact O-N 3.47Å |
| 32 | L | 77.3 | Confident | 75.1 | Confident | 94 Ų | 94 | 83.3 Ų | 83.3 | 49% | 0.492 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 175.3 | -78.2 | 171.3 | 0 | 0 | 0 | 111.7 | V28 A29 V30 V34 W35 E36 | V28-L32 HydrophobicContact CG1-CD1 3.73Å; V28-L32 WeakPolarHBondContact O-CB 3.32Å; V28-L32 WeakPolarHBondContact O-CG 3.16Å; V28-L32 PolarHBondContact O-N 2.81Å; A29-L32 PolarHBondContact O-N 3.45Å; V30-L32 PolarHBondContact O-N 3.22Å; L32-V34 VanDerWaalsContact C-N 3.35Å; L32-W35 PolarHBondContact O-N 3.48Å; L32-E36 PolarHBondContact O-N 2.83Å |
| 33 | C | 71.8 | Confident | 74.4 | Confident | 20 Ų | 20 | 80.5 Ų | 80.5 | 14% | 0.135 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -65.4 | -38.9 | 176.7 | -69.9 | 0 | 0 | 0 | 0 | 111.4 | A29 V30 L37 F50 | A29-C33 VanDerWaalsContact O-CB 3.3Å; A29-C33 WeakPolarHBondContact O-CB 3.48Å; A29-C33 PolarHBondContact O-N 3.47Å; A29-C33 PolarHBondContact O-SG 3.37Å; V30-C33 PolarHBondContact O-N 3.3Å; C33-L37 VanDerWaalsContact O-CB 3.29Å; C33-L37 WeakPolarHBondContact O-CB 3.46Å; C33-L37 PolarHBondContact O-N 3.18Å; C33-F50 HydrophobicContact CB-CD2 3.68Å; C33-F50 HydrophobicContact CB-CE2 3.4Å |
| 34 | V | 77.5 | Confident | 73.8 | Confident | 58 Ų | 58 | 79.6 Ų | 79.6 | 35% | 0.352 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.2 | -39.6 | 175.5 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | V30 P31 L32 L37 Q38 F50 | V30-V34 HydrophobicContact CG1-CG2 4.44Å; V30-V34 WeakPolarHBondContact O-CB 3.44Å; V30-V34 VanDerWaalsContact O-CG2 3.24Å; V30-V34 WeakPolarHBondContact O-CG2 3.23Å; V30-V34 PolarHBondContact O-N 2.91Å; P31-V34 PolarHBondContact O-N 3.25Å; L32-V34 VanDerWaalsContact C-N 3.35Å; V34-L37 PolarHBondContact O-N 3.33Å; V34-Q38 WeakPolarHBondContact O-CG 3.27Å; V34-Q38 PolarHBondContact O-N 3.13Å; V34-F50 HydrophobicContact CG2-CE2 4.4Å; V34-F50 HydrophobicContact CG2-CZ 4.38Å |
| 35 | W | 78.3 | Confident | 73.2 | Confident | 134 Ų | 134 | 77.8 Ų | 77.8 | 51% | 0.508 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.5 | -44.4 | 176.9 | -179 | 66.4 | 0 | 0 | 0 | 112.2 | P31 L32 L37 Q38 K39 | P31-W35 VanDerWaalsContact O-CB 3.29Å; P31-W35 WeakPolarHBondContact O-CB 3.36Å; P31-W35 PolarHBondContact O-N 3.47Å; L32-W35 PolarHBondContact O-N 3.48Å; W35-L37 VanDerWaalsContact C-N 3.34Å; W35-L37 PolarHBondContact O-N 3.36Å; W35-Q38 PolarHBondContact O-N 2.8Å; W35-K39 HydrophobicContact CH2-CD 4.42Å; W35-K39 HydrophobicContact CZ2-CD 4.36Å; W35-K39 WeakPolarHBondContact O-CB 3.35Å; W35-K39 PolarHBondContact O-N 3.45Å |
| 36 | E | 73.2 | Confident | 73.2 | Confident | 56 Ų | 56 | 76.8 Ų | 76.8 | 26% | 0.262 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.8 | -38.9 | 172.7 | -82.8 | -68.5 | 154.6 | 0 | 0 | 112 | L32 Q38 K39 L40 | L32-E36 PolarHBondContact O-N 2.83Å; E36-Q38 VanDerWaalsContact C-N 3.3Å; E36-Q38 PolarHBondContact O-N 3.28Å; E36-K39 PolarHBondContact O-N 2.95Å; E36-L40 WeakPolarHBondContact O-CB 3.41Å; E36-L40 WeakPolarHBondContact O-CG 3.42Å; E36-L40 PolarHBondContact O-N 3.48Å |
| 37 | L | 71.6 | Confident | 73 | Confident | 64 Ų | 64 | 78.9 Ų | 78.9 | 34% | 0.335 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.3 | -33.2 | 175.4 | -171.7 | 69.9 | 0 | 0 | 0 | 112.6 | C33 V34 W35 T46 F50 | C33-L37 VanDerWaalsContact O-CB 3.29Å; C33-L37 WeakPolarHBondContact O-CB 3.46Å; C33-L37 PolarHBondContact O-N 3.18Å; V34-L37 PolarHBondContact O-N 3.33Å; W35-L37 VanDerWaalsContact C-N 3.34Å; W35-L37 PolarHBondContact O-N 3.36Å; L37-T46 HydrophobicContact CD1-CG2 3.97Å; L37-F50 HydrophobicContact CB-CD2 4.39Å; L37-F50 HydrophobicContact CD1-CB 4.47Å; L37-F50 HydrophobicContact CD2-CD2 4.39Å; L37-F50 HydrophobicContact CD2-CE2 4.34Å; L37-F50 HydrophobicContact CD2-CG 4.5Å; L37-F50 HydrophobicContact CD2-CZ 4.42Å |
| 38 | Q | 71.9 | Confident | 72.9 | Confident | 155 Ų | 155 | 75.2 Ų | 75.2 | 72% | 0.724 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -77.4 | -31.6 | 175.9 | -75.2 | -177.7 | -28.3 | 0 | 0 | 112.8 | V34 W35 E36 | V34-Q38 WeakPolarHBondContact O-CG 3.27Å; V34-Q38 PolarHBondContact O-N 3.13Å; W35-Q38 PolarHBondContact O-N 2.8Å; E36-Q38 VanDerWaalsContact C-N 3.3Å; E36-Q38 PolarHBondContact O-N 3.28Å |
| 39 | K | 69.6 | Low | 73.1 | Confident | 134 Ų | 134 | 72.8 Ų | 72.8 | 58% | 0.583 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -79.7 | -32.4 | -179.2 | -169.6 | -180 | 178.4 | -172.2 | 0 | 112.7 | W35 E36 E41 | W35-K39 HydrophobicContact CH2-CD 4.42Å; W35-K39 HydrophobicContact CZ2-CD 4.36Å; W35-K39 WeakPolarHBondContact O-CB 3.35Å; W35-K39 PolarHBondContact O-N 3.45Å; E36-K39 PolarHBondContact O-N 2.95Å; K39-E41 PolarHBondContact O-N 2.62Å |
| 40 | L | 64.1 | Low | 73.5 | Confident | 56 Ų | 56 | 73.6 Ų | 73.6 | 29% | 0.293 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -90.2 | 100.1 | 175.8 | -68.5 | 165.3 | 0 | 0 | 0 | 108.8 | E36 V42 T46 | E36-L40 WeakPolarHBondContact O-CB 3.41Å; E36-L40 WeakPolarHBondContact O-CG 3.42Å; E36-L40 PolarHBondContact O-N 3.48Å; L40-V42 PolarHBondContact O-N 3.33Å; L40-T46 HydrophobicContact CB-CG2 3.83Å; L40-T46 HydrophobicContact CD1-CG2 3.61Å; L40-T46 HydrophobicContact CG-CG2 4.37Å |
| 41 | E | 54.8 | Low | 73.8 | Confident | 186 Ų | 186 | 73.9 Ų | 73.9 | 87% | 0.869 | 37% | 0.37 | S | S | * | . | trans | -59.1 | 98.2 | 178.4 | -151 | 166 | -166.9 | 0 | 0 | 110.7 | K39 G43 | K39-E41 PolarHBondContact O-N 2.62Å; E41-G43 PolarHBondContact O-N 2.98Å | ||
| 42 | V | 63.5 | Low | 74.2 | Confident | 105 Ų | 105 | 70.4 Ų | 70.4 | 64% | 0.636 | 35% | 0.347 | S | S | * | . | trans | 33.4 | 43 | 161 | -144.9 | 0 | 0 | 0 | 0 | 119.8 | L40 K47 | L40-V42 PolarHBondContact O-N 3.33Å; V42-K47 VanDerWaalsContact CG1-NZ 3.32Å | ||
| 43 | G | 66.4 | Low | 74.7 | Confident | 4 Ų | 4 | 66.1 Ų | 66.1 | 4% | 0.041 | 33% | 0.326 | C | S | . | . | trans | -70.9 | 141.2 | 158.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E41 H45 T46 E281 | E41-G43 PolarHBondContact O-N 2.98Å; G43-H45 PolarHBondContact O-N 3.3Å; G43-T46 PolarHBondContact O-N 2.93Å; G43-E281 VanDerWaalsContact CA-OE2 3.29Å; G43-E281 WeakPolarHBondContact CA-OE2 3.45Å | ||
| 44 | I | 69.3 | Low | 75.5 | Confident | 80 Ų | 80 | 68.9 Ų | 68.9 | 41% | 0.41 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.9 | -27.3 | 175 | -72.1 | 108.7 | 0 | 0 | 0 | 111.4 | K47 A48 W280 | I44-K47 WeakPolarHBondContact O-CB 3.34Å; I44-K47 PolarHBondContact O-N 3.22Å; I44-A48 PolarHBondContact O-N 2.89Å; I44-W280 HydrophobicContact CB-CE3 3.93Å; I44-W280 HydrophobicContact CB-CZ3 4.29Å; I44-W280 HydrophobicContact CD1-CE3 3.36Å; I44-W280 HydrophobicContact CD1-CZ3 3.51Å; I44-W280 HydrophobicContact CG1-CE3 3.7Å; I44-W280 HydrophobicContact CG1-CZ3 3.67Å; I44-W280 HydrophobicContact CG2-CE3 3.85Å; I44-W280 HydrophobicContact CG2-CZ3 4.07Å |
| 45 | H | 69.2 | Low | 76.1 | Confident | 43 Ų | 43 | 68.7 Ų | 68.7 | 20% | 0.199 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.8 | -42.7 | 179.5 | -55 | -41.4 | 0 | 0 | 0 | 113 | G43 K47 A48 W49 W280 E281 W282 | G43-H45 PolarHBondContact O-N 3.3Å; H45-K47 PolarHBondContact O-N 3.32Å; H45-A48 PolarHBondContact O-N 2.84Å; H45-W49 WeakPolarHBondContact O-CB 3.21Å; H45-W49 PolarHBondContact O-N 2.81Å; H45-W280 PolarHBondContact CE1-O 3.1Å; H45-W280 PolarHBondContact NE2-O 3.11Å; H45-E281 IonicContact CD2-OE2 3.41Å; H45-E281 PolarHBondContact CD2-OE2 3.25Å; H45-E281 IonicContact NE2-OE2 3.96Å; H45-W282 AromaticContact CD2-NE1 3.82Å; H45-W282 AromaticContact CE1-CD1 3.04Å; H45-W282 AromaticContact CE1-CE2 3.85Å; H45-W282 AromaticContact CE1-NE1 2.79Å; H45-W282 PolarHBondContact CE1-NE1 2.78Å; H45-W282 AromaticContact CG-CE2 3.91Å; H45-W282 AromaticContact CG-NE1 3.55Å; H45-W282 AromaticContact ND1-CD1 3.63Å; H45-W282 AromaticContact ND1-CE2 3.59Å; H45-W282 AromaticContact ND1-CZ2 3.95Å; H45-W282 AromaticContact ND1-NE1 2.87Å; H45-W282 PolarHBondContact ND1-NE1 3.16Å; H45-W282 AromaticContact NE2-CD1 3.3Å; H45-W282 VanDerWaalsContact NE2-CD1 3.3Å; H45-W282 AromaticContact NE2-NE1 3.39Å; H45-W282 PolarHBondContact NE2-NE1 3.27Å |
| 46 | T | 75.8 | Confident | 76.7 | Confident | 22 Ų | 22 | 63 Ų | 63 | 14% | 0.135 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.7 | -35.9 | 175.2 | -50.9 | 0 | 0 | 0 | 0 | 111 | L37 L40 G43 F50 | L37-T46 HydrophobicContact CD1-CG2 3.97Å; L40-T46 HydrophobicContact CB-CG2 3.83Å; L40-T46 HydrophobicContact CD1-CG2 3.61Å; L40-T46 HydrophobicContact CG-CG2 4.37Å; G43-T46 PolarHBondContact O-N 2.93Å; T46-F50 WeakPolarHBondContact O-CB 3.48Å; T46-F50 PolarHBondContact O-N 3.35Å |
| 47 | K | 78.1 | Confident | 77.4 | Confident | 97 Ų | 97 | 62.2 Ų | 62.2 | 42% | 0.422 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.3 | -46.6 | 174.9 | -61.6 | 178.3 | -175.4 | 172.8 | 0 | 111.8 | V42 I44 H45 F50 I51 | V42-K47 VanDerWaalsContact CG1-NZ 3.32Å; I44-K47 WeakPolarHBondContact O-CB 3.34Å; I44-K47 PolarHBondContact O-N 3.22Å; H45-K47 PolarHBondContact O-N 3.32Å; K47-F50 PolarHBondContact O-N 3.38Å; K47-I51 WeakPolarHBondContact O-CD1 3.33Å; K47-I51 VanDerWaalsContact O-CG1 3.25Å; K47-I51 WeakPolarHBondContact O-CG1 3.24Å; K47-I51 PolarHBondContact O-N 3.42Å |
| 48 | A | 81.6 | Confident | 78.2 | Confident | 27 Ų | 27 | 62.4 Ų | 62.4 | 22% | 0.223 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | I44 H45 F50 I51 A52 F295 | I44-A48 PolarHBondContact O-N 2.89Å; H45-A48 PolarHBondContact O-N 2.84Å; A48-F50 PolarHBondContact O-N 3.2Å; A48-I51 PolarHBondContact O-N 3.49Å; A48-A52 WeakPolarHBondContact O-CB 3.45Å; A48-A52 PolarHBondContact O-N 2.87Å; A48-F295 HydrophobicContact CB-CD2 4.2Å; A48-F295 WeakPolarHBondContact O-CD2 3.39Å |
| 49 | W | 85.3 | Confident | 79.1 | Confident | 29 Ų | 29 | 55 Ų | 55 | 11% | 0.11 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 176 | 177.4 | 81.1 | 0 | 0 | 0 | 112.8 | H45 A52 G53 W98 | H45-W49 WeakPolarHBondContact O-CB 3.21Å; H45-W49 PolarHBondContact O-N 2.81Å; W49-A52 PolarHBondContact O-N 2.82Å; W49-G53 PolarHBondContact O-N 3.34Å; W49-W98 AromaticContact CD1-CD1 3.97Å; W49-W98 AromaticContact CD1-NE1 3.71Å; W49-W98 AromaticContact CD2-NE1 3.99Å; W49-W98 AromaticContact CE2-CE2 3.54Å; W49-W98 AromaticContact CE2-CZ2 3.51Å; W49-W98 AromaticContact CE2-NE1 3.48Å; W49-W98 AromaticContact CH2-CZ2 3.79Å; W49-W98 HydrophobicContact CH2-CZ2 3.79Å; W49-W98 AromaticContact CZ2-CE2 3.63Å; W49-W98 AromaticContact CZ2-CH2 3.71Å; W49-W98 HydrophobicContact CZ2-CH2 3.71Å; W49-W98 AromaticContact CZ2-CZ2 3.05Å; W49-W98 HydrophobicContact CZ2-CZ2 3.05Å; W49-W98 AromaticContact CZ2-NE1 3.98Å; W49-W98 AromaticContact NE1-CD1 3.78Å; W49-W98 AromaticContact NE1-CD2 3.91Å; W49-W98 AromaticContact NE1-CE2 3.36Å; W49-W98 AromaticContact NE1-CZ2 3.77Å; W49-W98 AromaticContact NE1-NE1 3.23Å; W49-W98 PolarHBondContact NE1-O 3.15Å; W49-W98 PolarHBondContact O-NE1 3.28Å |
| 50 | F | 84.4 | Confident | 80.1 | Confident | 41 Ų | 41 | 50.9 Ų | 50.9 | 18% | 0.18 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.1 | -46 | 176.2 | 179.8 | -92.3 | 0 | 0 | 0 | 111.7 | C33 V34 L37 T46 K47 A48 G53 I54 | C33-F50 HydrophobicContact CB-CD2 3.68Å; C33-F50 HydrophobicContact CB-CE2 3.4Å; V34-F50 HydrophobicContact CG2-CE2 4.4Å; V34-F50 HydrophobicContact CG2-CZ 4.38Å; L37-F50 HydrophobicContact CB-CD2 4.39Å; L37-F50 HydrophobicContact CD1-CB 4.47Å; L37-F50 HydrophobicContact CD2-CD2 4.39Å; L37-F50 HydrophobicContact CD2-CE2 4.34Å; L37-F50 HydrophobicContact CD2-CG 4.5Å; L37-F50 HydrophobicContact CD2-CZ 4.42Å; T46-F50 WeakPolarHBondContact O-CB 3.48Å; T46-F50 PolarHBondContact O-N 3.35Å; K47-F50 PolarHBondContact O-N 3.38Å; A48-F50 PolarHBondContact O-N 3.2Å; F50-G53 PolarHBondContact O-N 2.93Å; F50-I54 HydrophobicContact CD1-CD1 4.03Å; F50-I54 HydrophobicContact CE1-CD1 3.61Å; F50-I54 HydrophobicContact CE1-CG1 4.37Å; F50-I54 HydrophobicContact CZ-CD1 4.32Å; F50-I54 PolarHBondContact O-N 2.82Å; F50-I54 VanDerWaalsContact O-N 3.08Å |
| 51 | I | 86.4 | Confident | 81.3 | Confident | 73 Ų | 73 | 49.4 Ų | 49.4 | 37% | 0.374 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.3 | -45 | 177.3 | -66 | 163 | 0 | 0 | 0 | 110.5 | K47 A48 G53 I54 F55 F295 | K47-I51 WeakPolarHBondContact O-CD1 3.33Å; K47-I51 VanDerWaalsContact O-CG1 3.25Å; K47-I51 WeakPolarHBondContact O-CG1 3.24Å; K47-I51 PolarHBondContact O-N 3.42Å; A48-I51 PolarHBondContact O-N 3.49Å; I51-G53 VanDerWaalsContact C-N 3.26Å; I51-G53 PolarHBondContact O-N 3.07Å; I51-I54 WeakPolarHBondContact O-CB 3.42Å; I51-I54 PolarHBondContact O-N 2.77Å; I51-I54 VanDerWaalsContact O-N 3.1Å; I51-F55 HydrophobicContact CG2-CD2 4.07Å; I51-F55 HydrophobicContact CG2-CE2 3.78Å; I51-F55 VanDerWaalsContact O-CD2 3.31Å; I51-F55 WeakPolarHBondContact O-CD2 3.47Å; I51-F55 PolarHBondContact O-N 3.46Å; I51-F295 HydrophobicContact CB-CE2 3.95Å; I51-F295 HydrophobicContact CG2-CE2 3.72Å; I51-F295 HydrophobicContact CG2-CZ 3.9Å |
| 52 | A | 87.9 | Confident | 82.9 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.2 | -39.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A48 W49 I54 F55 L56 L101 F295 C298 | A48-A52 WeakPolarHBondContact O-CB 3.45Å; A48-A52 PolarHBondContact O-N 2.87Å; W49-A52 PolarHBondContact O-N 2.82Å; A52-I54 VanDerWaalsContact C-N 3.32Å; A52-I54 PolarHBondContact O-N 3.43Å; A52-F55 PolarHBondContact O-N 3.44Å; A52-L56 PolarHBondContact O-N 3.22Å; A52-L101 HydrophobicContact CB-CD1 3.51Å; A52-F295 HydrophobicContact CB-CD2 4.06Å; A52-F295 HydrophobicContact CB-CE2 4.49Å; A52-C298 HydrophobicContact CB-CB 4.04Å |
| 53 | G | 88.4 | Confident | 84.2 | Confident | 5 Ų | 5 | 38 Ų | 38 | 5% | 0.052 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.4 | -36.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | W49 F50 I51 L56 L57 W98 | W49-G53 PolarHBondContact O-N 3.34Å; F50-G53 PolarHBondContact O-N 2.93Å; I51-G53 VanDerWaalsContact C-N 3.26Å; I51-G53 PolarHBondContact O-N 3.07Å; G53-L56 WeakPolarHBondContact O-CB 3.29Å; G53-L56 PolarHBondContact O-N 3.41Å; G53-L57 WeakPolarHBondContact O-CG 3.27Å; G53-L57 PolarHBondContact O-N 2.98Å; G53-W98 VanDerWaalsContact CA-NE1 3.34Å |
| 54 | I | 87.9 | Confident | 85.3 | Confident | 78 Ų | 78 | 41.4 Ų | 41.4 | 40% | 0.4 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64 | -46.8 | 173 | -64.8 | 169.3 | 0 | 0 | 0 | 110.3 | F50 I51 A52 L56 L57 L58 | F50-I54 HydrophobicContact CD1-CD1 4.03Å; F50-I54 HydrophobicContact CE1-CD1 3.61Å; F50-I54 HydrophobicContact CE1-CG1 4.37Å; F50-I54 HydrophobicContact CZ-CD1 4.32Å; F50-I54 PolarHBondContact O-N 2.82Å; F50-I54 VanDerWaalsContact O-N 3.08Å; I51-I54 WeakPolarHBondContact O-CB 3.42Å; I51-I54 PolarHBondContact O-N 2.77Å; I51-I54 VanDerWaalsContact O-N 3.1Å; A52-I54 VanDerWaalsContact C-N 3.32Å; A52-I54 PolarHBondContact O-N 3.43Å; I54-L56 VanDerWaalsContact C-N 3.31Å; I54-L56 PolarHBondContact O-N 2.97Å; I54-L57 PolarHBondContact O-N 3.21Å; I54-L58 HydrophobicContact CG2-CD1 4.34Å; I54-L58 WeakPolarHBondContact O-CG 3.38Å; I54-L58 PolarHBondContact O-N 2.94Å |
| 55 | F | 89.7 | Confident | 86.2 | Confident | 53 Ų | 53 | 41.6 Ų | 41.6 | 23% | 0.232 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.9 | -37.2 | 176.6 | -75.2 | -73.5 | 0 | 0 | 0 | 112.3 | I51 A52 L58 T59 I299 F302 | I51-F55 HydrophobicContact CG2-CD2 4.07Å; I51-F55 HydrophobicContact CG2-CE2 3.78Å; I51-F55 VanDerWaalsContact O-CD2 3.31Å; I51-F55 WeakPolarHBondContact O-CD2 3.47Å; I51-F55 PolarHBondContact O-N 3.46Å; A52-F55 PolarHBondContact O-N 3.44Å; F55-L58 PolarHBondContact O-N 3.04Å; F55-T59 VanDerWaalsContact O-CB 3.31Å; F55-T59 WeakPolarHBondContact O-CB 3.08Å; F55-T59 PolarHBondContact O-N 3.11Å; F55-T59 PolarHBondContact O-OG1 3.18Å; F55-I299 HydrophobicContact CD1-CG1 4.44Å; F55-I299 HydrophobicContact CD2-CG1 3.77Å; F55-I299 HydrophobicContact CE1-CG1 4.41Å; F55-I299 HydrophobicContact CE1-CG2 4.4Å; F55-I299 HydrophobicContact CE2-CD1 4.13Å; F55-I299 HydrophobicContact CE2-CG1 3.73Å; F55-I299 HydrophobicContact CG-CG1 4.14Å; F55-I299 HydrophobicContact CZ-CD1 4.47Å; F55-I299 HydrophobicContact CZ-CG1 4.07Å; F55-F302 HydrophobicContact CD1-CB 4.2Å; F55-F302 HydrophobicContact CD1-CD1 4.27Å; F55-F302 HydrophobicContact CD1-CG 4.27Å; F55-F302 HydrophobicContact CE1-CD1 4.44Å |
| 56 | L | 90.7 | Very high | 87.1 | Confident | 14 Ų | 14 | 39.7 Ų | 39.7 | 7% | 0.073 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.5 | -49 | 172 | 177.5 | 68 | 0 | 0 | 0 | 111.4 | A52 G53 I54 L58 T59 I60 S94 L95 W98 | A52-L56 PolarHBondContact O-N 3.22Å; G53-L56 WeakPolarHBondContact O-CB 3.29Å; G53-L56 PolarHBondContact O-N 3.41Å; I54-L56 VanDerWaalsContact C-N 3.31Å; I54-L56 PolarHBondContact O-N 2.97Å; L56-L58 PolarHBondContact O-N 3.16Å; L56-T59 PolarHBondContact O-N 3.33Å; L56-I60 HydrophobicContact CD1-CD1 3.94Å; L56-I60 HydrophobicContact CD1-CG1 3.64Å; L56-I60 HydrophobicContact CG-CG1 4.13Å; L56-I60 WeakPolarHBondContact O-CG1 3.16Å; L56-I60 PolarHBondContact O-N 3.46Å; L56-S94 WeakPolarHBondContact CD1-OG 3.17Å; L56-L95 HydrophobicContact CD1-CB 4.4Å; L56-L95 HydrophobicContact CD2-CD1 4.27Å; L56-W98 HydrophobicContact CD2-CB 3.93Å; L56-W98 HydrophobicContact CD2-CD2 3.63Å; L56-W98 HydrophobicContact CD2-CE3 3.79Å; L56-W98 HydrophobicContact CD2-CG 3.71Å; L56-W98 HydrophobicContact CD2-CZ3 4.5Å |
| 57 | L | 88.3 | Confident | 87.8 | Confident | 41 Ų | 41 | 39.1 Ų | 39.1 | 22% | 0.215 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.1 | -22.2 | 178.1 | -73.7 | 176.1 | 0 | 0 | 0 | 113.4 | Y22 A29 G53 I54 P61 | Y22-L57 VanDerWaalsContact CE2-O 3.31Å; Y22-L57 WeakPolarHBondContact CE2-O 3.26Å; Y22-L57 PolarHBondContact OH-O 2.86Å; Y22-L57 VanDerWaalsContact OH-O 3.12Å; A29-L57 HydrophobicContact CB-CD1 3.84Å; A29-L57 HydrophobicContact CB-CD2 3.96Å; G53-L57 WeakPolarHBondContact O-CG 3.27Å; G53-L57 PolarHBondContact O-N 2.98Å; I54-L57 PolarHBondContact O-N 3.21Å; L57-P61 WeakPolarHBondContact O-CD 3.12Å; L57-P61 VanDerWaalsContact O-CG 3.23Å; L57-P61 WeakPolarHBondContact O-CG 3.29Å |
| 58 | L | 88.5 | Confident | 88.1 | Confident | 67 Ų | 67 | 35.2 Ų | 35.2 | 35% | 0.351 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -85.8 | -35.3 | 171.4 | -65.9 | 173.4 | 0 | 0 | 0 | 112.3 | I54 F55 L56 P61 I62 F302 | I54-L58 HydrophobicContact CG2-CD1 4.34Å; I54-L58 WeakPolarHBondContact O-CG 3.38Å; I54-L58 PolarHBondContact O-N 2.94Å; F55-L58 PolarHBondContact O-N 3.04Å; L56-L58 PolarHBondContact O-N 3.16Å; L58-P61 WeakPolarHBondContact O-CD 3.28Å; L58-P61 VanDerWaalsContact O-CG 3.24Å; L58-P61 WeakPolarHBondContact O-CG 3.3Å; L58-I62 VanDerWaalsContact O-CD1 3.3Å; L58-I62 WeakPolarHBondContact O-CD1 3.5Å; L58-I62 VanDerWaalsContact O-CG1 3.28Å; L58-I62 WeakPolarHBondContact O-CG1 3.18Å; L58-F302 HydrophobicContact CB-CD2 3.76Å; L58-F302 HydrophobicContact CB-CE2 3.71Å; L58-F302 HydrophobicContact CD1-CE2 4.35Å |
| 59 | T | 91.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -73.1 | -50.7 | -175.3 | -60.6 | 0 | 0 | 0 | 0 | 112.6 | F55 L56 I62 S63 V90 M301 F302 A305 | F55-T59 VanDerWaalsContact O-CB 3.31Å; F55-T59 WeakPolarHBondContact O-CB 3.08Å; F55-T59 PolarHBondContact O-N 3.11Å; F55-T59 PolarHBondContact O-OG1 3.18Å; L56-T59 PolarHBondContact O-N 3.33Å; T59-I62 PolarHBondContact O-N 3.06Å; T59-S63 PolarHBondContact O-N 3.45Å; T59-V90 HydrophobicContact CG2-CG1 3.62Å; T59-M301 HydrophobicContact CG2-CB 4.09Å; T59-F302 WeakPolarHBondContact OG1-CA 3.49Å; T59-F302 VanDerWaalsContact OG1-CB 3.31Å; T59-F302 WeakPolarHBondContact OG1-CB 3.3Å; T59-F302 PolarHBondContact OG1-N 2.89Å; T59-A305 HydrophobicContact CG2-CB 4.1Å |
| 60 | I | 90.8 | Very high | 88.2 | Confident | 47 Ų | 47 | 32.8 Ų | 32.8 | 24% | 0.241 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -53.1 | -52.2 | -178.5 | -65.5 | -62.8 | 0 | 0 | 0 | 113 | L56 I62 S63 L64 P91 | L56-I60 HydrophobicContact CD1-CD1 3.94Å; L56-I60 HydrophobicContact CD1-CG1 3.64Å; L56-I60 HydrophobicContact CG-CG1 4.13Å; L56-I60 WeakPolarHBondContact O-CG1 3.16Å; L56-I60 PolarHBondContact O-N 3.46Å; I60-I62 PolarHBondContact O-N 3.25Å; I60-S63 PolarHBondContact O-N 2.94Å; I60-L64 HydrophobicContact CG2-CD1 3.53Å; I60-L64 HydrophobicContact CG2-CG 4.06Å; I60-L64 VanDerWaalsContact O-CB 3.29Å; I60-L64 WeakPolarHBondContact O-CB 3.42Å; I60-L64 VanDerWaalsContact O-CG 3.24Å; I60-L64 WeakPolarHBondContact O-CG 3.25Å; I60-L64 PolarHBondContact O-N 3.05Å; I60-P91 HydrophobicContact CD1-CB 3.57Å |
| 61 | P | 88.5 | Confident | 88.1 | Confident | 25 Ų | 25 | 31.2 Ų | 31.2 | 16% | 0.162 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.9 | -37.6 | -178.6 | 29.4 | -41.5 | 0 | 0 | 0 | 113 | Y22 L57 L58 W65 | Y22-P61 HydrophobicContact CD1-CB 4.29Å; Y22-P61 HydrophobicContact CD2-CB 3.51Å; Y22-P61 HydrophobicContact CD2-CG 3.91Å; Y22-P61 HydrophobicContact CE1-CB 4.22Å; Y22-P61 HydrophobicContact CE1-CG 4.3Å; Y22-P61 HydrophobicContact CE2-CB 3.46Å; Y22-P61 VanDerWaalsContact CE2-CB 3.46Å; Y22-P61 HydrophobicContact CE2-CG 3.3Å; Y22-P61 HydrophobicContact CG-CB 3.93Å; Y22-P61 VanDerWaalsContact CZ-CG 3.5Å; L57-P61 WeakPolarHBondContact O-CD 3.12Å; L57-P61 VanDerWaalsContact O-CG 3.23Å; L57-P61 WeakPolarHBondContact O-CG 3.29Å; L58-P61 WeakPolarHBondContact O-CD 3.28Å; L58-P61 VanDerWaalsContact O-CG 3.24Å; L58-P61 WeakPolarHBondContact O-CG 3.3Å; P61-W65 WeakPolarHBondContact O-CB 3.42Å; P61-W65 PolarHBondContact O-N 2.93Å |
| 62 | I | 89.1 | Confident | 87.8 | Confident | 50 Ų | 50 | 28 Ų | 28 | 26% | 0.256 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -63.5 | -49.1 | 178.7 | -65.2 | 172 | 0 | 0 | 0 | 108.9 | L58 T59 I60 W65 V66 F302 A305 I306 | L58-I62 VanDerWaalsContact O-CD1 3.3Å; L58-I62 WeakPolarHBondContact O-CD1 3.5Å; L58-I62 VanDerWaalsContact O-CG1 3.28Å; L58-I62 WeakPolarHBondContact O-CG1 3.18Å; T59-I62 PolarHBondContact O-N 3.06Å; I60-I62 PolarHBondContact O-N 3.25Å; I62-W65 PolarHBondContact O-N 3.3Å; I62-V66 VanDerWaalsContact O-CG2 3.31Å; I62-V66 WeakPolarHBondContact O-CG2 3.31Å; I62-V66 PolarHBondContact O-N 3.41Å; I62-V66 VanDerWaalsContact O-N 3.11Å; I62-F302 HydrophobicContact CD1-CD2 4.18Å; I62-F302 HydrophobicContact CD1-CE2 3.65Å; I62-A305 HydrophobicContact CB-CB 4.18Å; I62-A305 HydrophobicContact CG2-CB 3.89Å; I62-I306 HydrophobicContact CD1-CG1 4.33Å |
| 63 | S | 91.2 | Very high | 87.5 | Confident | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.8 | -46.3 | 179.5 | -173.8 | 0 | 0 | 0 | 0 | 112.3 | T59 I60 W65 V66 I67 L87 P91 | T59-S63 PolarHBondContact O-N 3.45Å; I60-S63 PolarHBondContact O-N 2.94Å; S63-W65 VanDerWaalsContact C-N 3.27Å; S63-W65 PolarHBondContact O-N 3.23Å; S63-V66 WeakPolarHBondContact O-CB 3.09Å; S63-V66 PolarHBondContact O-N 3.45Å; S63-V66 VanDerWaalsContact O-N 3.1Å; S63-I67 WeakPolarHBondContact O-CG1 3.32Å; S63-I67 PolarHBondContact O-N 3.4Å; S63-L87 PolarHBondContact OG-O 3.14Å; S63-P91 WeakPolarHBondContact OG-CD 3.43Å |
| 64 | L | 89.4 | Confident | 87.1 | Confident | 74 Ų | 74 | 30.4 Ų | 30.4 | 39% | 0.387 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -61.1 | -36.4 | 176.9 | -71.7 | -179.6 | 0 | 0 | 0 | 112.1 | I60 I67 L68 W88 | I60-L64 HydrophobicContact CG2-CD1 3.53Å; I60-L64 HydrophobicContact CG2-CG 4.06Å; I60-L64 VanDerWaalsContact O-CB 3.29Å; I60-L64 WeakPolarHBondContact O-CB 3.42Å; I60-L64 VanDerWaalsContact O-CG 3.24Å; I60-L64 WeakPolarHBondContact O-CG 3.25Å; I60-L64 PolarHBondContact O-N 3.05Å; L64-I67 HydrophobicContact CD2-CD1 4.47Å; L64-I67 PolarHBondContact O-N 3.35Å; L64-L68 WeakPolarHBondContact O-CB 3.3Å; L64-L68 PolarHBondContact O-N 3.41Å; L64-W88 HydrophobicContact CD2-CH2 4.09Å |
| 65 | W | 87.8 | Confident | 86.7 | Confident | 84 Ų | 84 | 28.9 Ų | 28.9 | 32% | 0.318 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -63.9 | -42.9 | 174.6 | -174.8 | -100.2 | 0 | 0 | 0 | 111.7 | R15 V19 P61 I62 S63 L68 Q69 | R15-W65 HydrophobicContact CB-CH2 3.97Å; R15-W65 HydrophobicContact CB-CZ3 4.27Å; R15-W65 HydrophobicContact CG-CH2 4.07Å; R15-W65 HydrophobicContact CG-CZ3 4.46Å; V19-W65 HydrophobicContact CG2-CH2 4.42Å; V19-W65 HydrophobicContact CG2-CZ3 3.95Å; P61-W65 WeakPolarHBondContact O-CB 3.42Å; P61-W65 PolarHBondContact O-N 2.93Å; I62-W65 PolarHBondContact O-N 3.3Å; S63-W65 VanDerWaalsContact C-N 3.27Å; S63-W65 PolarHBondContact O-N 3.23Å; W65-L68 HydrophobicContact CE3-CD2 4.39Å; W65-L68 PolarHBondContact O-N 2.74Å; W65-Q69 VanDerWaalsContact CE2-NE2 3.33Å; W65-Q69 VanDerWaalsContact O-CG 3.29Å; W65-Q69 WeakPolarHBondContact O-CG 3.07Å; W65-Q69 PolarHBondContact O-N 3.16Å |
| 66 | V | 88.8 | Confident | 86.3 | Confident | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.018 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.5 | -48.1 | 175.5 | -180 | 0 | 0 | 0 | 0 | 110.6 | I62 S63 L68 Q69 H70 L87 H309 | I62-V66 VanDerWaalsContact O-CG2 3.31Å; I62-V66 WeakPolarHBondContact O-CG2 3.31Å; I62-V66 PolarHBondContact O-N 3.41Å; I62-V66 VanDerWaalsContact O-N 3.11Å; S63-V66 WeakPolarHBondContact O-CB 3.09Å; S63-V66 PolarHBondContact O-N 3.45Å; S63-V66 VanDerWaalsContact O-N 3.1Å; V66-L68 VanDerWaalsContact C-N 3.31Å; V66-L68 PolarHBondContact O-N 3.27Å; V66-Q69 PolarHBondContact O-N 3.24Å; V66-H70 PolarHBondContact O-CD2 3.21Å; V66-H70 VanDerWaalsContact O-CD2 3.28Å; V66-H70 PolarHBondContact O-N 2.89Å; V66-H70 VanDerWaalsContact O-N 3.15Å; V66-L87 HydrophobicContact CG1-CD1 3.68Å; V66-L87 HydrophobicContact CG1-CD2 3.79Å; V66-L87 HydrophobicContact CG1-CG 4.39Å; V66-H309 HydrophobicContact CG2-CB 3.63Å; V66-H309 WeakPolarHBondContact CG2-ND1 3.22Å |
| 67 | I | 88.7 | Confident | 85.9 | Confident | 10 Ų | 10 | 31.8 Ų | 31.8 | 5% | 0.051 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.5 | -45.5 | 177.2 | -67.1 | 164.5 | 0 | 0 | 0 | 110.4 | S63 L64 Q69 H70 L71 I84 L87 W88 | S63-I67 WeakPolarHBondContact O-CG1 3.32Å; S63-I67 PolarHBondContact O-N 3.4Å; L64-I67 HydrophobicContact CD2-CD1 4.47Å; L64-I67 PolarHBondContact O-N 3.35Å; I67-Q69 VanDerWaalsContact C-N 3.33Å; I67-Q69 PolarHBondContact O-N 2.93Å; I67-H70 PolarHBondContact O-N 3.08Å; I67-L71 PolarHBondContact O-N 3.22Å; I67-I84 HydrophobicContact CG2-CG2 3.96Å; I67-L87 HydrophobicContact CD1-CB 4.3Å; I67-L87 HydrophobicContact CG1-CB 3.75Å; I67-L87 HydrophobicContact CG1-CD1 4.22Å; I67-W88 HydrophobicContact CD1-CD2 4.01Å; I67-W88 HydrophobicContact CD1-CG 4.11Å; I67-W88 HydrophobicContact CD1-CZ2 4.5Å |
| 68 | L | 85.8 | Confident | 85.6 | Confident | 15 Ų | 15 | 35.9 Ų | 35.9 | 8% | 0.079 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.8 | -39.9 | 178.4 | -178.8 | 64.5 | 0 | 0 | 0 | 111.8 | W10 I14 A18 L64 W65 V66 H70 L71 V72 | W10-L68 HydrophobicContact CH2-CD1 4.39Å; I14-L68 HydrophobicContact CB-CD1 4.39Å; I14-L68 HydrophobicContact CD1-CD1 3.43Å; I14-L68 VanDerWaalsContact CD1-CD1 3.43Å; I14-L68 HydrophobicContact CG1-CD1 3.64Å; I14-L68 HydrophobicContact CG1-CD2 3.98Å; I14-L68 HydrophobicContact CG1-CG 4.45Å; I14-L68 HydrophobicContact CG2-CD1 3.9Å; I14-L68 HydrophobicContact CG2-CD2 4.39Å; I14-L68 HydrophobicContact CG2-CG 4.49Å; A18-L68 HydrophobicContact CB-CD2 3.84Å; L64-L68 WeakPolarHBondContact O-CB 3.3Å; L64-L68 PolarHBondContact O-N 3.41Å; W65-L68 HydrophobicContact CE3-CD2 4.39Å; W65-L68 PolarHBondContact O-N 2.74Å; V66-L68 VanDerWaalsContact C-N 3.31Å; V66-L68 PolarHBondContact O-N 3.27Å; L68-H70 VanDerWaalsContact C-N 3.33Å; L68-H70 PolarHBondContact O-N 3.27Å; L68-L71 PolarHBondContact O-N 3.48Å; L68-V72 HydrophobicContact CD1-CG2 4.02Å; L68-V72 HydrophobicContact CG-CG2 4.13Å; L68-V72 WeakPolarHBondContact O-CB 3.48Å; L68-V72 VanDerWaalsContact O-CG2 3.23Å; L68-V72 WeakPolarHBondContact O-CG2 3.29Å; L68-V72 PolarHBondContact O-N 2.99Å |
| 69 | Q | 83.8 | Confident | 85.5 | Confident | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.019 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.5 | -34.6 | 177.7 | -68.6 | -65.8 | -10 | 0 | 0 | 112.6 | W65 V66 I67 H73 Y314 | W65-Q69 VanDerWaalsContact CE2-NE2 3.33Å; W65-Q69 VanDerWaalsContact O-CG 3.29Å; W65-Q69 WeakPolarHBondContact O-CG 3.07Å; W65-Q69 PolarHBondContact O-N 3.16Å; V66-Q69 PolarHBondContact O-N 3.24Å; I67-Q69 VanDerWaalsContact C-N 3.33Å; I67-Q69 PolarHBondContact O-N 2.93Å; Q69-H73 PolarHBondContact O-N 3.07Å; Q69-H73 VanDerWaalsContact O-N 3.13Å; Q69-H73 PolarHBondContact O-ND1 2.85Å; Q69-H73 PolarHBondContact OE1-CE1 3.48Å; Q69-Y314 HydrophobicContact CB-CD1 3.46Å; Q69-Y314 VanDerWaalsContact CB-CD1 3.46Å; Q69-Y314 HydrophobicContact CB-CD2 4.15Å; Q69-Y314 HydrophobicContact CB-CE1 3.83Å; Q69-Y314 HydrophobicContact CB-CE2 4.47Å; Q69-Y314 HydrophobicContact CB-CG 3.64Å; Q69-Y314 HydrophobicContact CG-CD1 3.98Å; Q69-Y314 HydrophobicContact CG-CE1 3.8Å; Q69-Y314 HydrophobicContact CG-CG 4.48Å |
| 70 | H | 85.6 | Confident | 85.3 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.6 | -38.1 | 171.3 | -78.7 | -72.2 | 0 | 0 | 0 | 112 | V66 I67 L68 H73 Y74 Q80 I84 L87 F312 | V66-H70 PolarHBondContact O-CD2 3.21Å; V66-H70 VanDerWaalsContact O-CD2 3.28Å; V66-H70 PolarHBondContact O-N 2.89Å; V66-H70 VanDerWaalsContact O-N 3.15Å; I67-H70 PolarHBondContact O-N 3.08Å; L68-H70 VanDerWaalsContact C-N 3.33Å; L68-H70 PolarHBondContact O-N 3.27Å; H70-H73 CarbonylContact O-C 3.38Å; H70-H73 PolarHBondContact O-N 3.38Å; H70-Y74 PolarHBondContact O-N 2.9Å; H70-Q80 PolarHBondContact O-NE2 3.27Å; H70-I84 HydrophobicContact CB-CD1 4.05Å; H70-I84 HydrophobicContact CB-CG1 3.8Å; H70-L87 VanDerWaalsContact CD2-CD1 3.48Å; H70-L87 WeakPolarHBondContact CD2-CD1 3.23Å; H70-F312 PolarHBondContact CE1-O 2.94Å; H70-F312 PolarHBondContact NE2-O 3.43Å |
| 71 | L | 81.8 | Confident | 85.2 | Confident | 9 Ų | 9 | 31.7 Ų | 31.7 | 5% | 0.047 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.6 | -37.5 | 176.2 | -166.5 | 67.2 | 0 | 0 | 0 | 112.2 | W10 R11 I67 L68 H73 Y74 F330 | W10-L71 HydrophobicContact CH2-CD2 4.02Å; W10-L71 HydrophobicContact CH2-CG 4.49Å; W10-L71 HydrophobicContact CZ2-CD2 4.48Å; W10-L71 HydrophobicContact CZ2-CG 4.49Å; R11-L71 PolarHBondContact NH1-O 3.23Å; I67-L71 PolarHBondContact O-N 3.22Å; L68-L71 PolarHBondContact O-N 3.48Å; L71-H73 VanDerWaalsContact C-N 3.29Å; L71-H73 PolarHBondContact O-N 3.12Å; L71-Y74 WeakPolarHBondContact O-CB 3.31Å; L71-Y74 PolarHBondContact O-N 3.37Å; L71-F330 HydrophobicContact CD2-CD2 4.32Å |
| 72 | V | 80.3 | Confident | 85.2 | Confident | 5 Ų | 5 | 30.7 Ų | 30.7 | 3% | 0.03 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -71.8 | -23 | 178 | 170 | 0 | 0 | 0 | 0 | 112.1 | R11 I14 L68 | R11-V72 HydrophobicContact CB-CG1 4.07Å; R11-V72 WeakPolarHBondContact CD-O 3.24Å; R11-V72 HydrophobicContact CG-CG1 4.22Å; R11-V72 VanDerWaalsContact CZ-O 3.24Å; R11-V72 PolarHBondContact NE-O 2.92Å; R11-V72 PolarHBondContact NH1-O 2.65Å; I14-V72 HydrophobicContact CG2-CG2 3.83Å; L68-V72 HydrophobicContact CD1-CG2 4.02Å; L68-V72 HydrophobicContact CG-CG2 4.13Å; L68-V72 WeakPolarHBondContact O-CB 3.48Å; L68-V72 VanDerWaalsContact O-CG2 3.23Å; L68-V72 WeakPolarHBondContact O-CG2 3.29Å; L68-V72 PolarHBondContact O-N 2.99Å |
| 73 | H | 80.7 | Confident | 85.3 | Confident | 26 Ų | 26 | 28.4 Ų | 28.4 | 12% | 0.12 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | 43.7 | 173.8 | -52.3 | 96.8 | 0 | 0 | 0 | 110.9 | R15 Q69 H70 L71 T75 Q80 Y314 | R15-H73 PolarHBondContact NH2-CE1 3.42Å; R15-H73 PolarHBondContact NH2-NE2 3Å; Q69-H73 PolarHBondContact O-N 3.07Å; Q69-H73 VanDerWaalsContact O-N 3.13Å; Q69-H73 PolarHBondContact O-ND1 2.85Å; Q69-H73 PolarHBondContact OE1-CE1 3.48Å; H70-H73 CarbonylContact O-C 3.38Å; H70-H73 PolarHBondContact O-N 3.38Å; L71-H73 VanDerWaalsContact C-N 3.29Å; L71-H73 PolarHBondContact O-N 3.12Å; H73-T75 VanDerWaalsContact C-N 3.31Å; H73-T75 PolarHBondContact O-N 2.95Å; H73-T75 PolarHBondContact O-OG1 3.42Å; H73-Q80 PolarHBondContact O-NE2 3.29Å; H73-Q80 PolarHBondContact O-OE1 3.48Å; H73-Y314 AromaticContact CE1-CD2 3.74Å; H73-Y314 AromaticContact CE1-CE2 3.78Å; H73-Y314 AromaticContact ND1-CD2 3.62Å |
| 74 | Y | 79.7 | Confident | 85.2 | Confident | 30 Ų | 30 | 28.2 Ų | 28.2 | 12% | 0.118 | 14% | 0.139 | C | C | . | . | trans | -74.4 | 82.8 | -177.6 | -160.7 | -112.1 | 0 | 0 | 0 | 110.9 | H70 L71 P77 Q80 I84 | H70-Y74 PolarHBondContact O-N 2.9Å; L71-Y74 WeakPolarHBondContact O-CB 3.31Å; L71-Y74 PolarHBondContact O-N 3.37Å; Y74-P77 HydrophobicContact CE1-CB 3.67Å; Y74-P77 WeakPolarHBondContact OH-CA 3.31Å; Y74-P77 VanDerWaalsContact OH-CB 3.29Å; Y74-P77 WeakPolarHBondContact OH-CB 3.48Å; Y74-Q80 VanDerWaalsContact CA-OE1 3.27Å; Y74-Q80 HydrophobicContact CD2-CB 3.88Å; Y74-Q80 HydrophobicContact CE2-CB 3.74Å; Y74-I84 HydrophobicContact CD2-CD1 4.29Å; Y74-I84 HydrophobicContact CE2-CD1 4.12Å | ||
| 75 | T | 79.9 | Confident | 85.3 | Confident | 46 Ų | 46 | 25.2 Ų | 25.2 | 28% | 0.282 | 12% | 0.123 | S | C | . | . | trans | -105.1 | -32.6 | -176.2 | 49.6 | 0 | 0 | 0 | 0 | 112.5 | H73 Y317 Q319 A321 | H73-T75 VanDerWaalsContact C-N 3.31Å; H73-T75 PolarHBondContact O-N 2.95Å; H73-T75 PolarHBondContact O-OG1 3.42Å; T75-Y317 VanDerWaalsContact CG2-O 3.3Å; T75-Y317 WeakPolarHBondContact CG2-O 3.25Å; T75-Y317 PolarHBondContact OG1-O 2.96Å; T75-Y317 VanDerWaalsContact OG1-O 3.1Å; T75-Q319 WeakPolarHBondContact CG2-O 3.38Å; T75-A321 HydrophobicContact CG2-CB 3.62Å | ||
| 76 | Q | 81.6 | Confident | 85.5 | Confident | 68 Ų | 68 | 21.2 Ų | 21.2 | 32% | 0.318 | 11% | 0.107 | S | C | . | . | trans | -126 | 83.5 | -177.1 | -69.2 | -171 | -17.3 | 0 | 0 | 109.8 | E78 L79 Q80 Y317 | Q76-E78 PolarHBondContact O-N 3.03Å; Q76-L79 PolarHBondContact O-N 3.48Å; Q76-L79 VanDerWaalsContact O-N 3.11Å; Q76-Q80 WeakPolarHBondContact O-CB 3.42Å; Q76-Q80 WeakPolarHBondContact O-CG 3.49Å; Q76-Q80 PolarHBondContact O-N 3.11Å; Q76-Y317 HydrophobicContact CB-CD1 4.27Å; Q76-Y317 HydrophobicContact CB-CE1 4.26Å | ||
| 77 | P | 82.1 | Confident | 85.6 | Confident | 59 Ų | 59 | 21.1 Ų | 21.1 | 38% | 0.383 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -56.6 | -38.9 | -174.8 | 20.9 | -32.6 | 0 | 0 | 0 | 112.6 | Y74 L79 Q80 K81 | Y74-P77 HydrophobicContact CE1-CB 3.67Å; Y74-P77 WeakPolarHBondContact OH-CA 3.31Å; Y74-P77 VanDerWaalsContact OH-CB 3.29Å; Y74-P77 WeakPolarHBondContact OH-CB 3.48Å; P77-L79 PolarHBondContact O-N 3.34Å; P77-Q80 PolarHBondContact O-N 2.95Å; P77-K81 WeakPolarHBondContact O-CB 3.39Å; P77-K81 PolarHBondContact O-N 3.15Å |
| 78 | E | 82.7 | Confident | 85.7 | Confident | 127 Ų | 127 | 24.1 Ų | 24.1 | 59% | 0.593 | 12% | 0.118 | S | C | * | . | H | α-helix | trans | -57.6 | -30.8 | 179.8 | -60.4 | -56.4 | 150.5 | 0 | 0 | 114.2 | Q76 P82 N131 | Q76-E78 PolarHBondContact O-N 3.03Å; E78-P82 WeakPolarHBondContact O-CD 3.36Å; E78-N131 PolarHBondContact O-ND2 3.12Å |
| 79 | L | 85.2 | Confident | 85.9 | Confident | 5 Ų | 5 | 23.5 Ų | 23.5 | 3% | 0.026 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -100.5 | -40.1 | 179.9 | -59 | -173.2 | 0 | 0 | 0 | 112 | Q76 P77 P82 I83 F128 N131 Y132 Y317 | Q76-L79 PolarHBondContact O-N 3.48Å; Q76-L79 VanDerWaalsContact O-N 3.11Å; P77-L79 PolarHBondContact O-N 3.34Å; L79-P82 WeakPolarHBondContact O-CD 3.34Å; L79-I83 WeakPolarHBondContact O-CD1 3.5Å; L79-I83 VanDerWaalsContact O-CG1 3.29Å; L79-I83 WeakPolarHBondContact O-CG1 3.03Å; L79-I83 PolarHBondContact O-N 3.29Å; L79-F128 HydrophobicContact CB-CE2 4.33Å; L79-N131 HydrophobicContact CD2-CB 3.78Å; L79-Y132 HydrophobicContact CD1-CD2 4.16Å; L79-Y132 VanDerWaalsContact CD2-N 3.31Å; L79-Y317 HydrophobicContact CB-CE1 4.31Å; L79-Y317 HydrophobicContact CD1-CE1 4.39Å |
| 80 | Q | 87.4 | Confident | 86.3 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -76.2 | -32.3 | -174.3 | -67.9 | 178.4 | -68.3 | 0 | 0 | 112.4 | H70 H73 Y74 Q76 P77 I83 I84 Y317 | H70-Q80 PolarHBondContact O-NE2 3.27Å; H73-Q80 PolarHBondContact O-NE2 3.29Å; H73-Q80 PolarHBondContact O-OE1 3.48Å; Y74-Q80 VanDerWaalsContact CA-OE1 3.27Å; Y74-Q80 HydrophobicContact CD2-CB 3.88Å; Y74-Q80 HydrophobicContact CE2-CB 3.74Å; Q76-Q80 WeakPolarHBondContact O-CB 3.42Å; Q76-Q80 WeakPolarHBondContact O-CG 3.49Å; Q76-Q80 PolarHBondContact O-N 3.11Å; P77-Q80 PolarHBondContact O-N 2.95Å; Q80-I83 PolarHBondContact O-N 3.44Å; Q80-I84 WeakPolarHBondContact O-CB 3.22Å; Q80-I84 WeakPolarHBondContact O-CD1 3.37Å; Q80-I84 VanDerWaalsContact O-CG1 3.22Å; Q80-I84 WeakPolarHBondContact O-CG1 3.49Å; Q80-I84 PolarHBondContact O-N 2.8Å; Q80-Y317 HydrophobicContact CG-CD1 3.91Å; Q80-Y317 HydrophobicContact CG-CD2 4.24Å; Q80-Y317 HydrophobicContact CG-CE1 3.93Å; Q80-Y317 HydrophobicContact CG-CE2 4.26Å; Q80-Y317 HydrophobicContact CG-CG 4.07Å |
| 81 | K | 88.3 | Confident | 86.6 | Confident | 21 Ų | 21 | 23.6 Ų | 23.6 | 9% | 0.091 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.4 | -50.6 | 177.9 | -177.5 | -172.7 | -161.4 | -170.1 | 0 | 111.9 | P77 I83 I84 R85 A332 D335 D338 | P77-K81 WeakPolarHBondContact O-CB 3.39Å; P77-K81 PolarHBondContact O-N 3.15Å; K81-I83 PolarHBondContact O-N 2.95Å; K81-I84 PolarHBondContact O-N 3.14Å; K81-R85 WeakPolarHBondContact O-CG 3.31Å; K81-R85 PolarHBondContact O-N 3.36Å; K81-R85 VanDerWaalsContact O-N 3.15Å; K81-A332 WeakPolarHBondContact CE-O 3.44Å; K81-D335 WeakPolarHBondContact CE-O 3.45Å; K81-D335 PolarHBondContact NZ-O 3.19Å; K81-D335 IonicContact NZ-OD2 3.74Å; K81-D335 PolarHBondContact NZ-OD2 2.95Å; K81-D338 WeakPolarHBondContact CE-OD1 3.44Å; K81-D338 IonicContact NZ-OD1 2.7Å; K81-D338 PolarHBondContact NZ-OD1 3Å |
| 82 | P | 89.9 | Confident | 87.1 | Confident | 4 Ų | 4 | 25.8 Ų | 25.8 | 3% | 0.026 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.9 | -41.1 | 170.8 | -27.9 | 35.8 | 0 | 0 | 0 | 114.4 | E78 L79 R85 I86 N124 F128 | E78-P82 WeakPolarHBondContact O-CD 3.36Å; L79-P82 WeakPolarHBondContact O-CD 3.34Å; P82-R85 PolarHBondContact O-N 3.15Å; P82-I86 WeakPolarHBondContact O-CD1 3.49Å; P82-I86 VanDerWaalsContact O-CG1 3.28Å; P82-I86 WeakPolarHBondContact O-CG1 3.47Å; P82-I86 PolarHBondContact O-N 3.23Å; P82-N124 HydrophobicContact CB-CB 4.43Å; P82-N124 WeakPolarHBondContact CB-O 3.43Å; P82-F128 HydrophobicContact CB-CB 3.76Å; P82-F128 HydrophobicContact CG-CB 4.49Å |
| 83 | I | 89.7 | Confident | 87.6 | Confident | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.9 | -47.7 | 178.5 | -69.6 | 167.7 | 0 | 0 | 0 | 110.8 | L79 Q80 K81 R85 I86 L87 F128 F312 Y317 | L79-I83 WeakPolarHBondContact O-CD1 3.5Å; L79-I83 VanDerWaalsContact O-CG1 3.29Å; L79-I83 WeakPolarHBondContact O-CG1 3.03Å; L79-I83 PolarHBondContact O-N 3.29Å; Q80-I83 PolarHBondContact O-N 3.44Å; K81-I83 PolarHBondContact O-N 2.95Å; I83-R85 VanDerWaalsContact C-N 3.3Å; I83-R85 PolarHBondContact O-N 2.85Å; I83-I86 WeakPolarHBondContact O-CB 3.36Å; I83-I86 PolarHBondContact O-N 3.48Å; I83-L87 HydrophobicContact CG2-CD1 3.89Å; I83-L87 HydrophobicContact CG2-CG 4.24Å; I83-L87 WeakPolarHBondContact O-CG 3.34Å; I83-L87 PolarHBondContact O-N 3.41Å; I83-F128 HydrophobicContact CD1-CD2 4.06Å; I83-F128 HydrophobicContact CD1-CE2 3.54Å; I83-F128 HydrophobicContact CD1-CZ 4.15Å; I83-F128 HydrophobicContact CG1-CD2 3.76Å; I83-F128 HydrophobicContact CG1-CE2 3.74Å; I83-F128 HydrophobicContact CG1-CG 4.42Å; I83-F128 HydrophobicContact CG1-CZ 4.36Å; I83-F312 HydrophobicContact CG1-CD1 4.26Å; I83-F312 HydrophobicContact CG2-CB 4.16Å; I83-F312 HydrophobicContact CG2-CD1 3.83Å; I83-F312 HydrophobicContact CG2-CG 4.29Å; I83-Y317 HydrophobicContact CD1-CE2 4.18Å; I83-Y317 WeakPolarHBondContact CD1-OH 3.14Å |
| 84 | I | 90.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62 | -41.7 | -179 | -67.1 | 162.1 | 0 | 0 | 0 | 110.5 | I67 H70 Y74 Q80 K81 I86 L87 W88 M333 | I67-I84 HydrophobicContact CG2-CG2 3.96Å; H70-I84 HydrophobicContact CB-CD1 4.05Å; H70-I84 HydrophobicContact CB-CG1 3.8Å; Y74-I84 HydrophobicContact CD2-CD1 4.29Å; Y74-I84 HydrophobicContact CE2-CD1 4.12Å; Q80-I84 WeakPolarHBondContact O-CB 3.22Å; Q80-I84 WeakPolarHBondContact O-CD1 3.37Å; Q80-I84 VanDerWaalsContact O-CG1 3.22Å; Q80-I84 WeakPolarHBondContact O-CG1 3.49Å; Q80-I84 PolarHBondContact O-N 2.8Å; K81-I84 PolarHBondContact O-N 3.14Å; I84-I86 VanDerWaalsContact C-N 3.28Å; I84-I86 PolarHBondContact O-N 3.14Å; I84-L87 PolarHBondContact O-N 3.38Å; I84-L87 VanDerWaalsContact O-N 3.14Å; I84-W88 VanDerWaalsContact O-CD1 3.28Å; I84-W88 PolarHBondContact O-N 3.41Å; I84-W88 VanDerWaalsContact O-N 3.14Å; I84-M333 HydrophobicContact CB-CG 4.49Å; I84-M333 HydrophobicContact CG2-CG 3.72Å; I84-M333 HydrophobicContact CG2-SD 3.44Å; I84-M333 WeakPolarHBondContact CG2-SD 3.41Å |
| 85 | R | 91.6 | Very high | 88.6 | Confident | 10 Ų | 10 | 27 Ų | 27 | 4% | 0.038 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.7 | -35.6 | 173.5 | -69.2 | 167.5 | 174.7 | 174.8 | -4.1 | 112.3 | K81 P82 I83 Y117 Y120 N124 D335 D338 | K81-R85 WeakPolarHBondContact O-CG 3.31Å; K81-R85 PolarHBondContact O-N 3.36Å; K81-R85 VanDerWaalsContact O-N 3.15Å; P82-R85 PolarHBondContact O-N 3.15Å; I83-R85 VanDerWaalsContact C-N 3.3Å; I83-R85 PolarHBondContact O-N 2.85Å; R85-Y117 PolarHBondContact O-OH 3.4Å; R85-Y120 HydrophobicContact CB-CE1 4.01Å; R85-Y120 WeakPolarHBondContact CD-OH 3.29Å; R85-Y120 HydrophobicContact CG-CE1 4.13Å; R85-Y120 PolarHBondContact NE-OH 3.05Å; R85-N124 HydrophobicContact CB-CB 4.43Å; R85-N124 WeakPolarHBondContact CD-OD1 3.42Å; R85-N124 PolarHBondContact NH1-OD1 3.27Å; R85-D335 PolarHBondContact NH2-O 3.35Å; R85-D338 IonicContact CZ-OD1 3.33Å; R85-D338 IonicContact CZ-OD2 3.9Å; R85-D338 IonicContact NH1-OD1 3.43Å; R85-D338 IonicContact NH1-OD2 3.48Å; R85-D338 PolarHBondContact NH1-OD2 2.92Å; R85-D338 IonicContact NH2-OD1 3.85Å; R85-D338 PolarHBondContact NH2-OD1 3.32Å; R85-D338 IonicContact NH2-OD2 3.08Å; R85-D338 PolarHBondContact NH2-OD2 3.38Å |
| 86 | I | 91.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -69.2 | -39.9 | 173.8 | -65.5 | 159.6 | 0 | 0 | 0 | 111.3 | P82 I83 I84 W88 M89 V121 N124 F125 V251 F312 | P82-I86 WeakPolarHBondContact O-CD1 3.49Å; P82-I86 VanDerWaalsContact O-CG1 3.28Å; P82-I86 WeakPolarHBondContact O-CG1 3.47Å; P82-I86 PolarHBondContact O-N 3.23Å; I83-I86 WeakPolarHBondContact O-CB 3.36Å; I83-I86 PolarHBondContact O-N 3.48Å; I84-I86 VanDerWaalsContact C-N 3.28Å; I84-I86 PolarHBondContact O-N 3.14Å; I86-W88 VanDerWaalsContact C-N 3.29Å; I86-W88 PolarHBondContact O-N 3.44Å; I86-M89 WeakPolarHBondContact O-CB 3.48Å; I86-M89 PolarHBondContact O-N 3.37Å; I86-V121 HydrophobicContact CB-CG1 4.42Å; I86-V121 HydrophobicContact CG1-CG1 4.1Å; I86-V121 HydrophobicContact CG2-CG1 4.14Å; I86-N124 HydrophobicContact CG1-CB 4.27Å; I86-F125 HydrophobicContact CD1-CB 4.08Å; I86-F125 HydrophobicContact CD1-CD2 3.99Å; I86-V251 HydrophobicContact CG2-CG2 3.45Å; I86-V251 VanDerWaalsContact CG2-CG2 3.45Å; I86-F312 HydrophobicContact CG2-CE2 4.23Å; I86-F312 HydrophobicContact CG2-CZ 3.92Å |
| 87 | L | 91.2 | Very high | 89.5 | Confident | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.9 | -30.8 | -178.6 | -70.9 | 170.1 | 0 | 0 | 0 | 113.4 | S63 V66 I67 H70 I83 I84 M89 P91 H308 F312 | S63-L87 PolarHBondContact OG-O 3.14Å; V66-L87 HydrophobicContact CG1-CD1 3.68Å; V66-L87 HydrophobicContact CG1-CD2 3.79Å; V66-L87 HydrophobicContact CG1-CG 4.39Å; I67-L87 HydrophobicContact CD1-CB 4.3Å; I67-L87 HydrophobicContact CG1-CB 3.75Å; I67-L87 HydrophobicContact CG1-CD1 4.22Å; H70-L87 VanDerWaalsContact CD2-CD1 3.48Å; H70-L87 WeakPolarHBondContact CD2-CD1 3.23Å; I83-L87 HydrophobicContact CG2-CD1 3.89Å; I83-L87 HydrophobicContact CG2-CG 4.24Å; I83-L87 WeakPolarHBondContact O-CG 3.34Å; I83-L87 PolarHBondContact O-N 3.41Å; I84-L87 PolarHBondContact O-N 3.38Å; I84-L87 VanDerWaalsContact O-N 3.14Å; L87-M89 PolarHBondContact O-N 3.47Å; L87-P91 VanDerWaalsContact O-CD 3.25Å; L87-P91 WeakPolarHBondContact O-CD 3.21Å; L87-H308 HydrophobicContact CD2-CB 3.93Å; L87-F312 HydrophobicContact CD2-CB 4.03Å; L87-F312 HydrophobicContact CD2-CD2 4.21Å; L87-F312 HydrophobicContact CD2-CG 4.31Å |
| 88 | W | 91.5 | Very high | 89.9 | Confident | 74 Ų | 74 | 21.9 Ų | 21.9 | 28% | 0.28 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -13.2 | 175.7 | -89.9 | 107.8 | 0 | 0 | 0 | 114.1 | L64 I67 I84 I86 V90 P91 I92 Y117 | L64-W88 HydrophobicContact CD2-CH2 4.09Å; I67-W88 HydrophobicContact CD1-CD2 4.01Å; I67-W88 HydrophobicContact CD1-CG 4.11Å; I67-W88 HydrophobicContact CD1-CZ2 4.5Å; I84-W88 VanDerWaalsContact O-CD1 3.28Å; I84-W88 PolarHBondContact O-N 3.41Å; I84-W88 VanDerWaalsContact O-N 3.14Å; I86-W88 VanDerWaalsContact C-N 3.29Å; I86-W88 PolarHBondContact O-N 3.44Å; W88-V90 PolarHBondContact O-N 3.42Å; W88-P91 HydrophobicContact CD2-CG 4.48Å; W88-P91 HydrophobicContact CE3-CG 3.73Å; W88-P91 HydrophobicContact CZ3-CG 4.24Å; W88-P91 VanDerWaalsContact O-CD 3.22Å; W88-P91 WeakPolarHBondContact O-CD 3.01Å; W88-P91 VanDerWaalsContact O-CG 3.28Å; W88-P91 WeakPolarHBondContact O-CG 3.47Å; W88-I92 HydrophobicContact CB-CD1 4.37Å; W88-I92 WeakPolarHBondContact O-CB 3.44Å; W88-I92 WeakPolarHBondContact O-CD1 3.37Å; W88-I92 WeakPolarHBondContact O-CG1 3.37Å; W88-I92 PolarHBondContact O-N 2.98Å; W88-Y117 WeakPolarHBondContact CB-OH 3.43Å |
| 89 | M | 90.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -57.1 | -50.3 | 174.9 | -174.2 | -176.8 | 177.7 | 0 | 0 | 112.3 | I86 L87 I92 Y93 Y117 V121 V251 V254 V255 | I86-M89 WeakPolarHBondContact O-CB 3.48Å; I86-M89 PolarHBondContact O-N 3.37Å; L87-M89 PolarHBondContact O-N 3.47Å; M89-I92 PolarHBondContact O-N 3Å; M89-Y93 HydrophobicContact CE-CE1 3.78Å; M89-Y93 HydrophobicContact CE-CE2 4.15Å; M89-Y93 HydrophobicContact CG-CD2 3.93Å; M89-Y93 HydrophobicContact CG-CE2 3.71Å; M89-Y93 WeakPolarHBondContact O-CB 3.39Å; M89-Y93 WeakPolarHBondContact O-CD2 3.43Å; M89-Y93 PolarHBondContact O-N 2.95Å; M89-Y117 VanDerWaalsContact CA-CE1 3.49Å; M89-Y117 HydrophobicContact CB-CD1 4.29Å; M89-Y117 HydrophobicContact CB-CE1 3.9Å; M89-Y117 HydrophobicContact CG-CD1 4.42Å; M89-V121 HydrophobicContact CB-CG2 4.11Å; M89-V121 HydrophobicContact CG-CG2 4.35Å; M89-V121 HydrophobicContact SD-CG1 4.07Å; M89-V121 HydrophobicContact SD-CG2 4.38Å; M89-V251 HydrophobicContact SD-CG1 4.49Å; M89-V254 HydrophobicContact CE-CB 4.08Å; M89-V254 HydrophobicContact CE-CG1 3.63Å; M89-V255 HydrophobicContact CE-CG2 3.56Å |
| 90 | V | 91.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.006 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.4 | -51.2 | -176.2 | -179.8 | 0 | 0 | 0 | 0 | 113.1 | T59 W88 I92 Y93 S94 M301 A304 A305 | T59-V90 HydrophobicContact CG2-CG1 3.62Å; W88-V90 PolarHBondContact O-N 3.42Å; V90-I92 PolarHBondContact O-N 2.82Å; V90-Y93 PolarHBondContact O-N 3.47Å; V90-S94 WeakPolarHBondContact O-CB 3.4Å; V90-S94 PolarHBondContact O-N 3.07Å; V90-S94 PolarHBondContact O-OG 2.86Å; V90-M301 HydrophobicContact CG1-CB 4.16Å; V90-M301 VanDerWaalsContact CG1-O 3.23Å; V90-M301 WeakPolarHBondContact CG1-O 3.49Å; V90-A304 HydrophobicContact CG2-CB 4.21Å; V90-A305 HydrophobicContact CG1-CB 3.91Å |
| 91 | P | 92.1 | Very high | 90.1 | Very high | 6 Ų | 6 | 19 Ų | 19 | 4% | 0.039 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -66.1 | -38.5 | -179.5 | 23.8 | -32.9 | 0 | 0 | 0 | 112 | I60 S63 L87 W88 S94 L95 | I60-P91 HydrophobicContact CD1-CB 3.57Å; S63-P91 WeakPolarHBondContact OG-CD 3.43Å; L87-P91 VanDerWaalsContact O-CD 3.25Å; L87-P91 WeakPolarHBondContact O-CD 3.21Å; W88-P91 HydrophobicContact CD2-CG 4.48Å; W88-P91 HydrophobicContact CE3-CG 3.73Å; W88-P91 HydrophobicContact CZ3-CG 4.24Å; W88-P91 VanDerWaalsContact O-CD 3.22Å; W88-P91 WeakPolarHBondContact O-CD 3.01Å; W88-P91 VanDerWaalsContact O-CG 3.28Å; W88-P91 WeakPolarHBondContact O-CG 3.47Å; P91-S94 WeakPolarHBondContact CA-OG 2.87Å; P91-S94 PolarHBondContact O-N 2.66Å; P91-S94 PolarHBondContact O-OG 3.22Å; P91-L95 WeakPolarHBondContact O-CB 3.24Å; P91-L95 PolarHBondContact O-N 2.74Å |
| 92 | I | 91.4 | Very high | 89.9 | Confident | 56 Ų | 56 | 21.5 Ų | 21.5 | 29% | 0.287 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -60.1 | -49.6 | 176.5 | -68.8 | 169 | 0 | 0 | 0 | 110.2 | W88 M89 V90 S94 L95 D96 Y117 | W88-I92 HydrophobicContact CB-CD1 4.37Å; W88-I92 WeakPolarHBondContact O-CB 3.44Å; W88-I92 WeakPolarHBondContact O-CD1 3.37Å; W88-I92 WeakPolarHBondContact O-CG1 3.37Å; W88-I92 PolarHBondContact O-N 2.98Å; M89-I92 PolarHBondContact O-N 3Å; V90-I92 PolarHBondContact O-N 2.82Å; I92-S94 PolarHBondContact O-N 2.87Å; I92-L95 PolarHBondContact O-N 2.76Å; I92-D96 WeakPolarHBondContact O-CB 3.47Å; I92-D96 PolarHBondContact O-N 3.14Å; I92-Y117 HydrophobicContact CD1-CD1 4.19Å; I92-Y117 HydrophobicContact CD1-CD2 3.86Å; I92-Y117 HydrophobicContact CD1-CE1 3.9Å; I92-Y117 HydrophobicContact CD1-CE2 3.53Å; I92-Y117 HydrophobicContact CD1-CG 4.16Å |
| 93 | Y | 90.1 | Very high | 89.6 | Confident | 7 Ų | 7 | 27.1 Ų | 27.1 | 3% | 0.027 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64 | -43.2 | -178.8 | -82.4 | -133.1 | 0 | 0 | 0 | 111.6 | M89 V90 L95 D96 S97 R114 V254 M301 | M89-Y93 HydrophobicContact CE-CE1 3.78Å; M89-Y93 HydrophobicContact CE-CE2 4.15Å; M89-Y93 HydrophobicContact CG-CD2 3.93Å; M89-Y93 HydrophobicContact CG-CE2 3.71Å; M89-Y93 WeakPolarHBondContact O-CB 3.39Å; M89-Y93 WeakPolarHBondContact O-CD2 3.43Å; M89-Y93 PolarHBondContact O-N 2.95Å; V90-Y93 PolarHBondContact O-N 3.47Å; Y93-L95 PolarHBondContact O-N 3.23Å; Y93-D96 PolarHBondContact O-N 2.95Å; Y93-S97 PolarHBondContact O-N 3.08Å; Y93-S97 PolarHBondContact O-OG 2.59Å; Y93-R114 HydrophobicContact CD1-CG 3.88Å; Y93-R114 HydrophobicContact CD2-CG 3.59Å; Y93-R114 HydrophobicContact CE1-CG 3.58Å; Y93-R114 HydrophobicContact CE2-CB 4.32Å; Y93-R114 HydrophobicContact CE2-CG 3.25Å; Y93-R114 HydrophobicContact CG-CG 3.87Å; Y93-R114 PolarHBondContact OH-O 3.26Å; Y93-V254 HydrophobicContact CD1-CG1 4.12Å; Y93-V254 HydrophobicContact CE1-CG1 4.14Å; Y93-M301 WeakPolarHBondContact CB-SD 3.49Å; Y93-M301 HydrophobicContact CD1-SD 4.1Å; Y93-M301 HydrophobicContact CG-SD 4.14Å |
| 94 | S | 91.6 | Very high | 89 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65 | -40.1 | -179.8 | 64.4 | 0 | 0 | 0 | 0 | 112.8 | L56 V90 P91 I92 W98 | L56-S94 WeakPolarHBondContact CD1-OG 3.17Å; V90-S94 WeakPolarHBondContact O-CB 3.4Å; V90-S94 PolarHBondContact O-N 3.07Å; V90-S94 PolarHBondContact O-OG 2.86Å; P91-S94 WeakPolarHBondContact CA-OG 2.87Å; P91-S94 PolarHBondContact O-N 2.66Å; P91-S94 PolarHBondContact O-OG 3.22Å; I92-S94 PolarHBondContact O-N 2.87Å; S94-W98 WeakPolarHBondContact O-CB 3.43Å; S94-W98 PolarHBondContact O-N 3.39Å |
| 95 | L | 91.3 | Very high | 88.4 | Confident | 79 Ų | 79 | 34.4 Ų | 34.4 | 41% | 0.414 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -70.6 | -43.2 | -179.9 | 180 | 64.3 | 0 | 0 | 0 | 111 | L56 P91 I92 Y93 W98 I99 | L56-L95 HydrophobicContact CD1-CB 4.4Å; L56-L95 HydrophobicContact CD2-CD1 4.27Å; P91-L95 WeakPolarHBondContact O-CB 3.24Å; P91-L95 PolarHBondContact O-N 2.74Å; I92-L95 PolarHBondContact O-N 2.76Å; Y93-L95 PolarHBondContact O-N 3.23Å; L95-W98 HydrophobicContact CD1-CE3 4.37Å; L95-W98 PolarHBondContact O-N 3Å; L95-I99 HydrophobicContact CD1-CD1 4.12Å; L95-I99 HydrophobicContact CD1-CG1 4.47Å; L95-I99 HydrophobicContact CG-CD1 3.9Å; L95-I99 VanDerWaalsContact O-CG1 3.3Å; L95-I99 WeakPolarHBondContact O-CG1 3.47Å; L95-I99 PolarHBondContact O-N 3.27Å |
| 96 | D | 90.7 | Very high | 87.9 | Confident | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.8 | -57.3 | 177 | 173.1 | 19.3 | 0 | 0 | 0 | 111.8 | I92 Y93 W98 I99 A100 V110 R114 | I92-D96 WeakPolarHBondContact O-CB 3.47Å; I92-D96 PolarHBondContact O-N 3.14Å; Y93-D96 PolarHBondContact O-N 2.95Å; D96-W98 PolarHBondContact O-N 3.14Å; D96-W98 VanDerWaalsContact O-N 3.16Å; D96-I99 WeakPolarHBondContact O-CA 3.44Å; D96-I99 PolarHBondContact O-N 2.99Å; D96-A100 WeakPolarHBondContact O-CB 3.34Å; D96-A100 PolarHBondContact O-N 3.17Å; D96-V110 HydrophobicContact CB-CG1 3.57Å; D96-V110 WeakPolarHBondContact OD1-CB 3.26Å; D96-V110 WeakPolarHBondContact OD1-CG1 3.43Å; D96-R114 IonicContact OD1-NH2 2.76Å; D96-R114 PolarHBondContact OD1-NH2 3.48Å; D96-R114 WeakPolarHBondContact OD2-CB 3.47Å; D96-R114 IonicContact OD2-CZ 3.06Å; D96-R114 IonicContact OD2-NE 2.77Å; D96-R114 PolarHBondContact OD2-NE 3.2Å; D96-R114 IonicContact OD2-NH2 2.82Å; D96-R114 PolarHBondContact OD2-NH2 3.31Å |
| 97 | S | 89.6 | Confident | 87.3 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.1 | -33.1 | 179.1 | -64.5 | 0 | 0 | 0 | 0 | 112.9 | Y93 L101 I297 | Y93-S97 PolarHBondContact O-N 3.08Å; Y93-S97 PolarHBondContact O-OG 2.59Å; S97-L101 WeakPolarHBondContact O-CG 3.33Å; S97-L101 PolarHBondContact O-N 3.01Å; S97-L101 VanDerWaalsContact O-N 3.09Å; S97-I297 WeakPolarHBondContact OG-CG2 3.42Å |
| 98 | W | 90.3 | Very high | 86.7 | Confident | 62 Ų | 62 | 40.9 Ų | 40.9 | 24% | 0.235 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70.3 | -35.6 | 174.7 | -177.5 | 74 | 0 | 0 | 0 | 113.5 | W49 G53 L56 S94 L95 D96 | W49-W98 AromaticContact CD1-CD1 3.97Å; W49-W98 AromaticContact CD1-NE1 3.71Å; W49-W98 AromaticContact CD2-NE1 3.99Å; W49-W98 AromaticContact CE2-CE2 3.54Å; W49-W98 AromaticContact CE2-CZ2 3.51Å; W49-W98 AromaticContact CE2-NE1 3.48Å; W49-W98 AromaticContact CH2-CZ2 3.79Å; W49-W98 HydrophobicContact CH2-CZ2 3.79Å; W49-W98 AromaticContact CZ2-CE2 3.63Å; W49-W98 AromaticContact CZ2-CH2 3.71Å; W49-W98 HydrophobicContact CZ2-CH2 3.71Å; W49-W98 AromaticContact CZ2-CZ2 3.05Å; W49-W98 HydrophobicContact CZ2-CZ2 3.05Å; W49-W98 AromaticContact CZ2-NE1 3.98Å; W49-W98 AromaticContact NE1-CD1 3.78Å; W49-W98 AromaticContact NE1-CD2 3.91Å; W49-W98 AromaticContact NE1-CE2 3.36Å; W49-W98 AromaticContact NE1-CZ2 3.77Å; W49-W98 AromaticContact NE1-NE1 3.23Å; W49-W98 PolarHBondContact NE1-O 3.15Å; W49-W98 PolarHBondContact O-NE1 3.28Å; G53-W98 VanDerWaalsContact CA-NE1 3.34Å; L56-W98 HydrophobicContact CD2-CB 3.93Å; L56-W98 HydrophobicContact CD2-CD2 3.63Å; L56-W98 HydrophobicContact CD2-CE3 3.79Å; L56-W98 HydrophobicContact CD2-CG 3.71Å; L56-W98 HydrophobicContact CD2-CZ3 4.5Å; S94-W98 WeakPolarHBondContact O-CB 3.43Å; S94-W98 PolarHBondContact O-N 3.39Å; L95-W98 HydrophobicContact CD1-CE3 4.37Å; L95-W98 PolarHBondContact O-N 3Å; D96-W98 PolarHBondContact O-N 3.14Å; D96-W98 VanDerWaalsContact O-N 3.16Å |
| 99 | I | 89.3 | Confident | 86.3 | Confident | 49 Ų | 49 | 44.1 Ų | 44.1 | 25% | 0.251 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -70.2 | -44 | 173.7 | -69.5 | 168.6 | 0 | 0 | 0 | 110.1 | L95 D96 L101 K102 Y103 I106 | L95-I99 HydrophobicContact CD1-CD1 4.12Å; L95-I99 HydrophobicContact CD1-CG1 4.47Å; L95-I99 HydrophobicContact CG-CD1 3.9Å; L95-I99 VanDerWaalsContact O-CG1 3.3Å; L95-I99 WeakPolarHBondContact O-CG1 3.47Å; L95-I99 PolarHBondContact O-N 3.27Å; D96-I99 WeakPolarHBondContact O-CA 3.44Å; D96-I99 PolarHBondContact O-N 2.99Å; I99-L101 VanDerWaalsContact C-N 3.28Å; I99-L101 PolarHBondContact O-N 3.43Å; I99-K102 PolarHBondContact O-N 3.06Å; I99-Y103 HydrophobicContact CG2-CD2 4.43Å; I99-Y103 PolarHBondContact O-N 3.15Å; I99-I106 HydrophobicContact CG2-CG2 4.27Å |
| 100 | A | 86.4 | Confident | 86 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 3% | 0.033 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.4 | -39.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | D96 K102 Y103 A107 D294 | D96-A100 WeakPolarHBondContact O-CB 3.34Å; D96-A100 PolarHBondContact O-N 3.17Å; A100-K102 VanDerWaalsContact C-N 3.25Å; A100-K102 PolarHBondContact O-N 3.22Å; A100-Y103 CarbonylContact O-C 3.59Å; A100-Y103 PolarHBondContact O-N 2.72Å; A100-A107 HydrophobicContact CB-CB 3.69Å; A100-D294 VanDerWaalsContact CB-OD2 3.31Å; A100-D294 WeakPolarHBondContact CB-OD2 3.42Å |
| 101 | L | 84.2 | Confident | 85.5 | Confident | 19 Ų | 19 | 47.5 Ų | 47.5 | 10% | 0.099 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.4 | -31.7 | 172.9 | -82.3 | 171.2 | 0 | 0 | 0 | 114.2 | A52 S97 I99 G291 D294 F295 | A52-L101 HydrophobicContact CB-CD1 3.51Å; S97-L101 WeakPolarHBondContact O-CG 3.33Å; S97-L101 PolarHBondContact O-N 3.01Å; S97-L101 VanDerWaalsContact O-N 3.09Å; I99-L101 VanDerWaalsContact C-N 3.28Å; I99-L101 PolarHBondContact O-N 3.43Å; L101-G291 WeakPolarHBondContact CD2-O 3.45Å; L101-D294 HydrophobicContact CD2-CB 4.16Å; L101-D294 HydrophobicContact CG-CB 3.85Å; L101-F295 HydrophobicContact CD1-CB 4.46Å; L101-F295 HydrophobicContact CD2-CB 4.41Å |
| 102 | K | 83.3 | Confident | 85.1 | Confident | 73 Ų | 73 | 48.7 Ų | 48.7 | 32% | 0.317 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -93 | -37.5 | -179 | -174.3 | 64.6 | 176.2 | -171.5 | 0 | 112.5 | I99 A100 | I99-K102 PolarHBondContact O-N 3.06Å; A100-K102 VanDerWaalsContact C-N 3.25Å; A100-K102 PolarHBondContact O-N 3.22Å |
| 103 | Y | 83.4 | Confident | 84.9 | Confident | 123 Ų | 123 | 50 Ų | 50 | 48% | 0.482 | 26% | 0.258 | S | S | . | . | trans | -129.3 | 83.9 | -172.4 | -58.9 | -72.1 | 0 | 0 | 0 | 110.6 | I99 A100 S105 I106 A107 | I99-Y103 HydrophobicContact CG2-CD2 4.43Å; I99-Y103 PolarHBondContact O-N 3.15Å; A100-Y103 CarbonylContact O-C 3.59Å; A100-Y103 PolarHBondContact O-N 2.72Å; Y103-S105 PolarHBondContact O-N 2.93Å; Y103-S105 VanDerWaalsContact O-N 3.17Å; Y103-I106 HydrophobicContact CG-CD1 4.28Å; Y103-I106 PolarHBondContact O-N 3.31Å; Y103-A107 PolarHBondContact O-N 3.34Å | ||
| 104 | P | 76.9 | Confident | 84.7 | Confident | 67 Ų | 67 | 50.7 Ų | 50.7 | 44% | 0.435 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.2 | -28.9 | 179.5 | -23.9 | 33.1 | 0 | 0 | 0 | 113.6 | I106 A107 W282 | P104-I106 PolarHBondContact O-N 3.24Å; P104-A107 VanDerWaalsContact O-CB 3.32Å; P104-A107 WeakPolarHBondContact O-CB 3.39Å; P104-A107 PolarHBondContact O-N 2.81Å; P104-W282 HydrophobicContact CG-CH2 4.13Å; P104-W282 HydrophobicContact CG-CZ3 3.64Å |
| 105 | S | 77.6 | Confident | 84.4 | Confident | 87 Ų | 87 | 54.2 Ų | 54.2 | 61% | 0.608 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -66.5 | -25.7 | 176.6 | 55.7 | 0 | 0 | 0 | 0 | 113.6 | Y103 | Y103-S105 PolarHBondContact O-N 2.93Å; Y103-S105 VanDerWaalsContact O-N 3.17Å |
| 106 | I | 81.2 | Confident | 84.3 | Confident | 73 Ų | 73 | 52.1 Ų | 52.1 | 37% | 0.374 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -91.2 | -23.3 | 178.2 | -62.6 | 174.9 | 0 | 0 | 0 | 110.4 | I99 Y103 P104 I108 Y109 V110 | I99-I106 HydrophobicContact CG2-CG2 4.27Å; Y103-I106 HydrophobicContact CG-CD1 4.28Å; Y103-I106 PolarHBondContact O-N 3.31Å; P104-I106 PolarHBondContact O-N 3.24Å; I106-I108 VanDerWaalsContact C-N 3.34Å; I106-I108 PolarHBondContact O-N 3.49Å; I106-Y109 PolarHBondContact O-N 3.25Å; I106-V110 HydrophobicContact CG2-CG2 3.54Å; I106-V110 PolarHBondContact O-N 3.46Å |
| 107 | A | 79.8 | Confident | 84.3 | Confident | 6 Ų | 6 | 54 Ų | 54 | 5% | 0.05 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -50.6 | -49.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A100 Y103 P104 Y109 V110 D111 | A100-A107 HydrophobicContact CB-CB 3.69Å; Y103-A107 PolarHBondContact O-N 3.34Å; P104-A107 VanDerWaalsContact O-CB 3.32Å; P104-A107 WeakPolarHBondContact O-CB 3.39Å; P104-A107 PolarHBondContact O-N 2.81Å; A107-Y109 VanDerWaalsContact C-N 3.26Å; A107-Y109 PolarHBondContact O-N 3.09Å; A107-Y109 VanDerWaalsContact O-N 3.16Å; A107-V110 PolarHBondContact O-N 3.1Å; A107-D111 VanDerWaalsContact O-CB 3.3Å; A107-D111 WeakPolarHBondContact O-CB 3.47Å; A107-D111 VanDerWaalsContact O-CG 3.25Å; A107-D111 PolarHBondContact O-N 2.75Å |
| 108 | I | 77.9 | Confident | 84.2 | Confident | 68 Ų | 68 | 54.5 Ų | 54.5 | 35% | 0.349 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -53.4 | -43.2 | -179.6 | -60.1 | 168.5 | 0 | 0 | 0 | 112 | I106 T112 | I106-I108 VanDerWaalsContact C-N 3.34Å; I106-I108 PolarHBondContact O-N 3.49Å; I108-T112 WeakPolarHBondContact O-CB 3.28Å; I108-T112 PolarHBondContact O-N 3.11Å; I108-T112 VanDerWaalsContact O-N 3.1Å; I108-T112 PolarHBondContact O-OG1 2.79Å |
| 109 | Y | 82.4 | Confident | 84.2 | Confident | 143 Ų | 143 | 51.6 Ų | 51.6 | 56% | 0.561 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -69.7 | -42.1 | -179.3 | -64.3 | -76.6 | 0 | 0 | 0 | 111.9 | I106 A107 T112 C113 L191 | I106-Y109 PolarHBondContact O-N 3.25Å; A107-Y109 VanDerWaalsContact C-N 3.26Å; A107-Y109 PolarHBondContact O-N 3.09Å; A107-Y109 VanDerWaalsContact O-N 3.16Å; Y109-T112 WeakPolarHBondContact O-CB 3.33Å; Y109-T112 PolarHBondContact O-N 3.35Å; Y109-C113 PolarHBondContact O-N 3.5Å; Y109-C113 PolarHBondContact O-SG 3.19Å; Y109-C113 VanDerWaalsContact O-SG 3.37Å; Y109-L191 HydrophobicContact CE1-CD2 4.22Å |
| 110 | V | 85 | Confident | 84.3 | Confident | 37 Ų | 37 | 51.8 Ų | 51.8 | 22% | 0.224 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -79.3 | -34.4 | -174.9 | -162.3 | 0 | 0 | 0 | 0 | 110.9 | D96 I106 A107 T112 C113 R114 | D96-V110 HydrophobicContact CB-CG1 3.57Å; D96-V110 WeakPolarHBondContact OD1-CB 3.26Å; D96-V110 WeakPolarHBondContact OD1-CG1 3.43Å; I106-V110 HydrophobicContact CG2-CG2 3.54Å; I106-V110 PolarHBondContact O-N 3.46Å; A107-V110 PolarHBondContact O-N 3.1Å; V110-T112 VanDerWaalsContact C-N 3.31Å; V110-T112 PolarHBondContact O-N 2.75Å; V110-C113 CarbonylContact O-C 3.44Å; V110-C113 WeakPolarHBondContact O-CA 3.28Å; V110-C113 WeakPolarHBondContact O-CB 3.49Å; V110-C113 PolarHBondContact O-N 3.44Å; V110-C113 VanDerWaalsContact O-N 3.09Å; V110-R114 WeakPolarHBondContact O-CB 2.96Å; V110-R114 PolarHBondContact O-N 2.84Å |
| 111 | D | 82.2 | Confident | 84.5 | Confident | 36 Ų | 36 | 51.6 Ų | 51.6 | 19% | 0.193 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -53.4 | -48.6 | 165.2 | -75.3 | -36.3 | 0 | 0 | 0 | 110.6 | A107 C113 R114 E115 | A107-D111 VanDerWaalsContact O-CB 3.3Å; A107-D111 WeakPolarHBondContact O-CB 3.47Å; A107-D111 VanDerWaalsContact O-CG 3.25Å; A107-D111 PolarHBondContact O-N 2.75Å; D111-C113 VanDerWaalsContact C-N 3.3Å; D111-C113 PolarHBondContact O-N 3.32Å; D111-R114 VanDerWaalsContact O-CB 3.3Å; D111-R114 WeakPolarHBondContact O-CB 3.24Å; D111-R114 PolarHBondContact O-N 3.46Å; D111-R114 VanDerWaalsContact O-N 3.15Å; D111-R114 IonicContact OD1-CZ 2.74Å; D111-R114 IonicContact OD1-NE 3.42Å; D111-R114 IonicContact OD1-NH1 2.95Å; D111-R114 PolarHBondContact OD1-NH1 3.38Å; D111-R114 IonicContact OD1-NH2 3.71Å; D111-R114 PolarHBondContact OD1-NH2 3.36Å; D111-E115 WeakPolarHBondContact O-CB 3.2Å; D111-E115 VanDerWaalsContact O-CG 3.29Å; D111-E115 WeakPolarHBondContact O-CG 3.35Å; D111-E115 PolarHBondContact O-N 2.92Å |
| 112 | T | 83.4 | Confident | 84.7 | Confident | 30 Ų | 30 | 51 Ų | 51 | 18% | 0.184 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.1 | -39.1 | 177.3 | -61.5 | 0 | 0 | 0 | 0 | 112.1 | I108 Y109 V110 C116 T187 | I108-T112 WeakPolarHBondContact O-CB 3.28Å; I108-T112 PolarHBondContact O-N 3.11Å; I108-T112 VanDerWaalsContact O-N 3.1Å; I108-T112 PolarHBondContact O-OG1 2.79Å; Y109-T112 WeakPolarHBondContact O-CB 3.33Å; Y109-T112 PolarHBondContact O-N 3.35Å; V110-T112 VanDerWaalsContact C-N 3.31Å; V110-T112 PolarHBondContact O-N 2.75Å; T112-C116 PolarHBondContact O-N 3.25Å; T112-C116 VanDerWaalsContact O-N 3.08Å; T112-C116 PolarHBondContact O-SG 2.9Å; T112-T187 HydrophobicContact CG2-CG2 3.17Å |
| 113 | C | 85.6 | Confident | 85.1 | Confident | 83 Ų | 83 | 48 Ų | 48 | 56% | 0.561 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -65.3 | -43.2 | 174.1 | -70.9 | 0 | 0 | 0 | 0 | 112.1 | Y109 V110 D111 E115 C116 Y117 | Y109-C113 PolarHBondContact O-N 3.5Å; Y109-C113 PolarHBondContact O-SG 3.19Å; Y109-C113 VanDerWaalsContact O-SG 3.37Å; V110-C113 CarbonylContact O-C 3.44Å; V110-C113 WeakPolarHBondContact O-CA 3.28Å; V110-C113 WeakPolarHBondContact O-CB 3.49Å; V110-C113 PolarHBondContact O-N 3.44Å; V110-C113 VanDerWaalsContact O-N 3.09Å; D111-C113 VanDerWaalsContact C-N 3.3Å; D111-C113 PolarHBondContact O-N 3.32Å; C113-E115 VanDerWaalsContact C-N 3.31Å; C113-E115 PolarHBondContact O-N 3.47Å; C113-C116 PolarHBondContact O-N 2.94Å; C113-Y117 WeakPolarHBondContact O-CB 3.38Å; C113-Y117 PolarHBondContact O-N 2.99Å |
| 114 | R | 86.9 | Confident | 85.5 | Confident | 23 Ų | 23 | 42.2 Ų | 42.2 | 9% | 0.087 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.9 | -44.5 | 176 | -177.4 | -158.1 | -51.9 | 162.7 | 6.1 | 111.4 | Y93 D96 V110 D111 Y117 E118 D294 | Y93-R114 HydrophobicContact CD1-CG 3.88Å; Y93-R114 HydrophobicContact CD2-CG 3.59Å; Y93-R114 HydrophobicContact CE1-CG 3.58Å; Y93-R114 HydrophobicContact CE2-CB 4.32Å; Y93-R114 HydrophobicContact CE2-CG 3.25Å; Y93-R114 HydrophobicContact CG-CG 3.87Å; Y93-R114 PolarHBondContact OH-O 3.26Å; D96-R114 IonicContact OD1-NH2 2.76Å; D96-R114 PolarHBondContact OD1-NH2 3.48Å; D96-R114 WeakPolarHBondContact OD2-CB 3.47Å; D96-R114 IonicContact OD2-CZ 3.06Å; D96-R114 IonicContact OD2-NE 2.77Å; D96-R114 PolarHBondContact OD2-NE 3.2Å; D96-R114 IonicContact OD2-NH2 2.82Å; D96-R114 PolarHBondContact OD2-NH2 3.31Å; V110-R114 WeakPolarHBondContact O-CB 2.96Å; V110-R114 PolarHBondContact O-N 2.84Å; D111-R114 VanDerWaalsContact O-CB 3.3Å; D111-R114 WeakPolarHBondContact O-CB 3.24Å; D111-R114 PolarHBondContact O-N 3.46Å; D111-R114 VanDerWaalsContact O-N 3.15Å; D111-R114 IonicContact OD1-CZ 2.74Å; D111-R114 IonicContact OD1-NE 3.42Å; D111-R114 IonicContact OD1-NH1 2.95Å; D111-R114 PolarHBondContact OD1-NH1 3.38Å; D111-R114 IonicContact OD1-NH2 3.71Å; D111-R114 PolarHBondContact OD1-NH2 3.36Å; R114-Y117 WeakPolarHBondContact O-CB 3.49Å; R114-Y117 PolarHBondContact O-N 3.1Å; R114-E118 PolarHBondContact O-N 2.87Å; R114-D294 IonicContact NH2-OD1 3.05Å |
| 115 | E | 85.3 | Confident | 86.1 | Confident | 74 Ų | 74 | 39.2 Ų | 39.2 | 35% | 0.346 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.5 | -40.5 | 176.8 | -77.1 | -163.1 | 140.6 | 0 | 0 | 113.2 | D111 C113 Y117 E118 R183 | D111-E115 WeakPolarHBondContact O-CB 3.2Å; D111-E115 VanDerWaalsContact O-CG 3.29Å; D111-E115 WeakPolarHBondContact O-CG 3.35Å; D111-E115 PolarHBondContact O-N 2.92Å; C113-E115 VanDerWaalsContact C-N 3.31Å; C113-E115 PolarHBondContact O-N 3.47Å; E115-Y117 VanDerWaalsContact C-N 3.34Å; E115-E118 PolarHBondContact O-N 3.37Å; E115-R183 VanDerWaalsContact CB-NH2 3.32Å; E115-R183 IonicContact OE1-CZ 3.59Å; E115-R183 IonicContact OE1-NH1 3.57Å; E115-R183 IonicContact OE1-NH2 2.72Å; E115-R183 PolarHBondContact OE1-NH2 2.96Å; E115-R183 IonicContact OE2-CZ 3.04Å; E115-R183 IonicContact OE2-NE 3.93Å; E115-R183 IonicContact OE2-NH1 2.78Å; E115-R183 PolarHBondContact OE2-NH1 3.21Å; E115-R183 IonicContact OE2-NH2 2.71Å; E115-R183 PolarHBondContact OE2-NH2 3.36Å |
| 116 | C | 88.6 | Confident | 86.7 | Confident | 34 Ų | 34 | 35.2 Ų | 35.2 | 23% | 0.23 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67 | -38.6 | 173.1 | -69.2 | 0 | 0 | 0 | 0 | 111.5 | T112 C113 E118 A119 Y120 T187 | T112-C116 PolarHBondContact O-N 3.25Å; T112-C116 VanDerWaalsContact O-N 3.08Å; T112-C116 PolarHBondContact O-SG 2.9Å; C113-C116 PolarHBondContact O-N 2.94Å; C116-E118 VanDerWaalsContact C-N 3.32Å; C116-E118 PolarHBondContact O-N 2.86Å; C116-A119 PolarHBondContact O-N 3.26Å; C116-Y120 PolarHBondContact O-N 3.34Å; C116-Y120 VanDerWaalsContact O-N 3.15Å; C116-T187 PolarHBondContact SG-OG1 3.35Å |
| 117 | Y | 90.4 | Very high | 87.1 | Confident | 43 Ų | 43 | 32.2 Ų | 32.2 | 17% | 0.169 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.5 | -35 | 177.9 | -161.4 | -95.9 | 0 | 0 | 0 | 112.2 | R85 W88 M89 I92 C113 R114 E115 A119 Y120 V121 | R85-Y117 PolarHBondContact O-OH 3.4Å; W88-Y117 WeakPolarHBondContact CB-OH 3.43Å; M89-Y117 VanDerWaalsContact CA-CE1 3.49Å; M89-Y117 HydrophobicContact CB-CD1 4.29Å; M89-Y117 HydrophobicContact CB-CE1 3.9Å; M89-Y117 HydrophobicContact CG-CD1 4.42Å; I92-Y117 HydrophobicContact CD1-CD1 4.19Å; I92-Y117 HydrophobicContact CD1-CD2 3.86Å; I92-Y117 HydrophobicContact CD1-CE1 3.9Å; I92-Y117 HydrophobicContact CD1-CE2 3.53Å; I92-Y117 HydrophobicContact CD1-CG 4.16Å; C113-Y117 WeakPolarHBondContact O-CB 3.38Å; C113-Y117 PolarHBondContact O-N 2.99Å; R114-Y117 WeakPolarHBondContact O-CB 3.49Å; R114-Y117 PolarHBondContact O-N 3.1Å; E115-Y117 VanDerWaalsContact C-N 3.34Å; Y117-A119 VanDerWaalsContact C-N 3.32Å; Y117-A119 PolarHBondContact O-N 3.06Å; Y117-Y120 HydrophobicContact CD2-CD1 4.25Å; Y117-Y120 AromaticContact CE2-CD1 3.88Å; Y117-Y120 HydrophobicContact CE2-CD1 3.88Å; Y117-Y120 HydrophobicContact CE2-CE1 4.3Å; Y117-Y120 WeakPolarHBondContact O-CB 3.35Å; Y117-Y120 PolarHBondContact O-N 2.69Å; Y117-V121 HydrophobicContact CD1-CG2 3.56Å; Y117-V121 HydrophobicContact CE1-CG2 3.34Å; Y117-V121 VanDerWaalsContact O-CG2 3.26Å; Y117-V121 WeakPolarHBondContact O-CG2 3.47Å; Y117-V121 PolarHBondContact O-N 2.84Å |
| 118 | E | 88 | Confident | 87.6 | Confident | 11 Ų | 11 | 32 Ų | 32 | 5% | 0.051 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -55.2 | -49.7 | 171.9 | -174.4 | -171.3 | 163.3 | 0 | 0 | 111.3 | R114 E115 C116 Y120 V121 I122 Q221 K252 V255 | R114-E118 PolarHBondContact O-N 2.87Å; E115-E118 PolarHBondContact O-N 3.37Å; C116-E118 VanDerWaalsContact C-N 3.32Å; C116-E118 PolarHBondContact O-N 2.86Å; E118-Y120 VanDerWaalsContact C-N 3.27Å; E118-Y120 PolarHBondContact O-N 3.47Å; E118-V121 WeakPolarHBondContact O-CB 3.39Å; E118-V121 PolarHBondContact O-N 3.18Å; E118-V121 VanDerWaalsContact O-N 3.09Å; E118-I122 HydrophobicContact CG-CD1 4.33Å; E118-I122 WeakPolarHBondContact O-CG1 3.31Å; E118-I122 PolarHBondContact O-N 3.48Å; E118-Q221 PolarHBondContact OE1-NE2 2.94Å; E118-K252 IonicContact OE1-NZ 3.22Å; E118-K252 PolarHBondContact OE1-NZ 3.47Å; E118-V255 VanDerWaalsContact CD-CG1 3.41Å; E118-V255 HydrophobicContact CG-CG2 3.8Å; E118-V255 WeakPolarHBondContact OE1-CG1 3.38Å; E118-V255 WeakPolarHBondContact OE2-CG1 2.93Å |
| 119 | A | 90.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.7 | -41.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | C116 Y117 V121 I122 Y123 Y179 T180 R183 | C116-A119 PolarHBondContact O-N 3.26Å; Y117-A119 VanDerWaalsContact C-N 3.32Å; Y117-A119 PolarHBondContact O-N 3.06Å; A119-V121 VanDerWaalsContact C-N 3.35Å; A119-V121 PolarHBondContact O-N 2.84Å; A119-I122 PolarHBondContact O-N 3.21Å; A119-Y123 PolarHBondContact O-N 3.17Å; A119-Y123 VanDerWaalsContact O-N 3.12Å; A119-Y179 HydrophobicContact CB-CD1 3.63Å; A119-Y179 HydrophobicContact CB-CE1 3.35Å; A119-Y179 HydrophobicContact CB-CG 4.38Å; A119-T180 PolarHBondContact O-OG1 2.88Å; A119-R183 HydrophobicContact CB-CB 3.92Å; A119-R183 HydrophobicContact CB-CG 4.17Å |
| 120 | Y | 90.4 | Very high | 88.4 | Confident | 54 Ų | 54 | 22.1 Ų | 22.1 | 21% | 0.212 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.9 | -42.3 | 173.1 | -177.6 | -109 | 0 | 0 | 0 | 113.2 | R85 C116 Y117 E118 Y123 N124 I339 | R85-Y120 HydrophobicContact CB-CE1 4.01Å; R85-Y120 WeakPolarHBondContact CD-OH 3.29Å; R85-Y120 HydrophobicContact CG-CE1 4.13Å; R85-Y120 PolarHBondContact NE-OH 3.05Å; C116-Y120 PolarHBondContact O-N 3.34Å; C116-Y120 VanDerWaalsContact O-N 3.15Å; Y117-Y120 HydrophobicContact CD2-CD1 4.25Å; Y117-Y120 AromaticContact CE2-CD1 3.88Å; Y117-Y120 HydrophobicContact CE2-CD1 3.88Å; Y117-Y120 HydrophobicContact CE2-CE1 4.3Å; Y117-Y120 WeakPolarHBondContact O-CB 3.35Å; Y117-Y120 PolarHBondContact O-N 2.69Å; E118-Y120 VanDerWaalsContact C-N 3.27Å; E118-Y120 PolarHBondContact O-N 3.47Å; Y120-Y123 PolarHBondContact O-N 3.36Å; Y120-N124 WeakPolarHBondContact CD1-ND2 3.45Å; Y120-N124 WeakPolarHBondContact CE1-ND2 3.29Å; Y120-N124 WeakPolarHBondContact CE2-ND2 3.33Å; Y120-N124 PolarHBondContact O-N 3.22Å; Y120-N124 PolarHBondContact O-ND2 3.36Å; Y120-I339 HydrophobicContact CD2-CD1 4.21Å; Y120-I339 HydrophobicContact CE2-CD1 3.24Å |
| 121 | V | 90.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.3 | -42.6 | 178.8 | 168.2 | 0 | 0 | 0 | 0 | 111.3 | I86 M89 Y117 E118 A119 Y123 N124 F125 V251 | I86-V121 HydrophobicContact CB-CG1 4.42Å; I86-V121 HydrophobicContact CG1-CG1 4.1Å; I86-V121 HydrophobicContact CG2-CG1 4.14Å; M89-V121 HydrophobicContact CB-CG2 4.11Å; M89-V121 HydrophobicContact CG-CG2 4.35Å; M89-V121 HydrophobicContact SD-CG1 4.07Å; M89-V121 HydrophobicContact SD-CG2 4.38Å; Y117-V121 HydrophobicContact CD1-CG2 3.56Å; Y117-V121 HydrophobicContact CE1-CG2 3.34Å; Y117-V121 VanDerWaalsContact O-CG2 3.26Å; Y117-V121 WeakPolarHBondContact O-CG2 3.47Å; Y117-V121 PolarHBondContact O-N 2.84Å; E118-V121 WeakPolarHBondContact O-CB 3.39Å; E118-V121 PolarHBondContact O-N 3.18Å; E118-V121 VanDerWaalsContact O-N 3.09Å; A119-V121 VanDerWaalsContact C-N 3.35Å; A119-V121 PolarHBondContact O-N 2.84Å; V121-Y123 VanDerWaalsContact C-N 3.33Å; V121-Y123 PolarHBondContact O-N 2.74Å; V121-N124 PolarHBondContact O-N 3.29Å; V121-F125 WeakPolarHBondContact O-CB 3.45Å; V121-F125 PolarHBondContact O-N 2.85Å; V121-V251 HydrophobicContact CG1-CG1 3.49Å; V121-V251 VanDerWaalsContact CG1-CG1 3.49Å; V121-V251 HydrophobicContact CG1-CG2 4.47Å |
| 122 | I | 90.3 | Very high | 88.8 | Confident | 5 Ų | 5 | 22.5 Ų | 22.5 | 3% | 0.026 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.8 | -41.9 | 177.6 | -61.9 | 176.7 | 0 | 0 | 0 | 110.6 | E118 A119 F125 M126 V176 Y179 M225 L228 | E118-I122 HydrophobicContact CG-CD1 4.33Å; E118-I122 WeakPolarHBondContact O-CG1 3.31Å; E118-I122 PolarHBondContact O-N 3.48Å; A119-I122 PolarHBondContact O-N 3.21Å; I122-F125 WeakPolarHBondContact O-CB 3.22Å; I122-F125 PolarHBondContact O-N 3.31Å; I122-M126 PolarHBondContact O-N 2.99Å; I122-V176 HydrophobicContact CG2-CG1 3.81Å; I122-Y179 HydrophobicContact CD1-CD1 4.14Å; I122-Y179 HydrophobicContact CD1-CE1 3.81Å; I122-M225 HydrophobicContact CD1-SD 3.84Å; I122-L228 HydrophobicContact CG2-CD1 3.79Å |
| 123 | Y | 91.3 | Very high | 89.1 | Confident | 10 Ų | 10 | 21 Ų | 21 | 4% | 0.039 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.6 | -47.3 | 174.3 | 169.9 | -95.7 | 0 | 0 | 0 | 112.4 | A119 Y120 V121 F125 M126 G127 L177 T180 I339 D342 | A119-Y123 PolarHBondContact O-N 3.17Å; A119-Y123 VanDerWaalsContact O-N 3.12Å; Y120-Y123 PolarHBondContact O-N 3.36Å; V121-Y123 VanDerWaalsContact C-N 3.33Å; V121-Y123 PolarHBondContact O-N 2.74Å; Y123-F125 PolarHBondContact O-N 2.8Å; Y123-M126 WeakPolarHBondContact O-CB 3.25Å; Y123-M126 PolarHBondContact O-N 3.44Å; Y123-M126 VanDerWaalsContact O-N 3.11Å; Y123-G127 PolarHBondContact O-N 3.47Å; Y123-L177 HydrophobicContact CD2-CD1 3.83Å; Y123-L177 HydrophobicContact CE2-CD1 3.78Å; Y123-T180 WeakPolarHBondContact CB-OG1 3.46Å; Y123-I339 HydrophobicContact CD1-CD1 4.19Å; Y123-I339 HydrophobicContact CD1-CG2 4.34Å; Y123-I339 HydrophobicContact CE1-CB 4.08Å; Y123-I339 HydrophobicContact CE1-CD1 3.81Å; Y123-I339 HydrophobicContact CE1-CG1 3.74Å; Y123-I339 HydrophobicContact CE1-CG2 3.66Å; Y123-D342 WeakPolarHBondContact OH-CB 3.33Å; Y123-D342 PolarHBondContact OH-OD2 3.2Å |
| 124 | N | 90.8 | Very high | 89.1 | Confident | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.011 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.9 | -33.9 | 176.1 | -81.4 | -79.2 | 0 | 0 | 0 | 112.1 | P82 R85 I86 Y120 V121 G127 F128 | P82-N124 HydrophobicContact CB-CB 4.43Å; P82-N124 WeakPolarHBondContact CB-O 3.43Å; R85-N124 HydrophobicContact CB-CB 4.43Å; R85-N124 WeakPolarHBondContact CD-OD1 3.42Å; R85-N124 PolarHBondContact NH1-OD1 3.27Å; I86-N124 HydrophobicContact CG1-CB 4.27Å; Y120-N124 WeakPolarHBondContact CD1-ND2 3.45Å; Y120-N124 WeakPolarHBondContact CE1-ND2 3.29Å; Y120-N124 WeakPolarHBondContact CE2-ND2 3.33Å; Y120-N124 PolarHBondContact O-N 3.22Å; Y120-N124 PolarHBondContact O-ND2 3.36Å; V121-N124 PolarHBondContact O-N 3.29Å; N124-G127 PolarHBondContact O-N 3.02Å; N124-F128 WeakPolarHBondContact O-CB 3.44Å; N124-F128 PolarHBondContact O-N 3.02Å |
| 125 | F | 90.4 | Very high | 89 | Confident | 4 Ų | 4 | 24.9 Ų | 24.9 | 2% | 0.018 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.8 | -41.3 | 174 | -171.7 | -103.6 | 0 | 0 | 0 | 112.2 | I86 V121 I122 Y123 F128 L129 L228 K247 F248 | I86-F125 HydrophobicContact CD1-CB 4.08Å; I86-F125 HydrophobicContact CD1-CD2 3.99Å; V121-F125 WeakPolarHBondContact O-CB 3.45Å; V121-F125 PolarHBondContact O-N 2.85Å; I122-F125 WeakPolarHBondContact O-CB 3.22Å; I122-F125 PolarHBondContact O-N 3.31Å; Y123-F125 PolarHBondContact O-N 2.8Å; F125-F128 HydrophobicContact CD2-CD1 4.46Å; F125-F128 HydrophobicContact CE2-CD1 4.42Å; F125-F128 WeakPolarHBondContact O-CB 3.48Å; F125-F128 PolarHBondContact O-N 3.38Å; F125-L129 HydrophobicContact CD1-CD1 4.05Å; F125-L129 HydrophobicContact CD1-CG 4.38Å; F125-L129 HydrophobicContact CE1-CD1 3.57Å; F125-L129 HydrophobicContact CE1-CD2 4.44Å; F125-L129 HydrophobicContact CE1-CG 4.07Å; F125-L129 HydrophobicContact CZ-CD1 4.09Å; F125-L129 HydrophobicContact CZ-CD2 4.13Å; F125-L129 HydrophobicContact CZ-CG 4.22Å; F125-L129 WeakPolarHBondContact O-CG 3Å; F125-L129 PolarHBondContact O-N 3.25Å; F125-L228 HydrophobicContact CD1-CD1 3.82Å; F125-L228 HydrophobicContact CD1-CD2 4.25Å; F125-L228 HydrophobicContact CD1-CG 4.32Å; F125-L228 HydrophobicContact CE1-CD1 4.42Å; F125-L228 HydrophobicContact CE1-CD2 4.02Å; F125-K247 HydrophobicContact CE2-CB 3.92Å; F125-K247 HydrophobicContact CZ-CB 4.41Å; F125-F248 HydrophobicContact CD1-CD2 4.36Å; F125-F248 HydrophobicContact CE1-CB 3.91Å; F125-F248 AromaticContact CE1-CD2 3.81Å; F125-F248 HydrophobicContact CE1-CD2 3.81Å; F125-F248 HydrophobicContact CE1-CG 4.35Å; F125-F248 HydrophobicContact CZ-CB 3.7Å; F125-F248 HydrophobicContact CZ-CD2 4.44Å |
| 126 | M | 90 | Very high | 88.9 | Confident | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.015 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.9 | -42.9 | 172.9 | -177.1 | 65 | -171.4 | 0 | 0 | 112 | I122 Y123 L129 T130 C172 K173 V176 F231 | I122-M126 PolarHBondContact O-N 2.99Å; Y123-M126 WeakPolarHBondContact O-CB 3.25Å; Y123-M126 PolarHBondContact O-N 3.44Å; Y123-M126 VanDerWaalsContact O-N 3.11Å; M126-L129 PolarHBondContact O-N 2.82Å; M126-T130 WeakPolarHBondContact O-CB 3.28Å; M126-T130 PolarHBondContact O-N 2.71Å; M126-T130 PolarHBondContact O-OG1 3.43Å; M126-C172 HydrophobicContact CE-CB 3.79Å; M126-K173 HydrophobicContact CE-CB 4.33Å; M126-K173 HydrophobicContact CE-CG 3.58Å; M126-K173 HydrophobicContact CG-CG 4.36Å; M126-V176 HydrophobicContact CB-CB 4.29Å; M126-V176 HydrophobicContact CB-CG1 3.99Å; M126-V176 HydrophobicContact CB-CG2 4.25Å; M126-V176 HydrophobicContact CG-CB 4.3Å; M126-V176 HydrophobicContact CG-CG2 4.17Å; M126-V176 HydrophobicContact SD-CG2 4.41Å; M126-F231 HydrophobicContact CE-CD1 4.4Å; M126-F231 HydrophobicContact CE-CD2 3.46Å; M126-F231 VanDerWaalsContact CE-CD2 3.46Å; M126-F231 HydrophobicContact CE-CE1 4.5Å; M126-F231 HydrophobicContact CE-CE2 3.5Å; M126-F231 VanDerWaalsContact CE-CE2 3.5Å; M126-F231 HydrophobicContact CE-CG 3.9Å; M126-F231 HydrophobicContact CE-CZ 4.06Å; M126-F231 HydrophobicContact SD-CD1 4.24Å; M126-F231 HydrophobicContact SD-CD2 4.31Å; M126-F231 HydrophobicContact SD-CE1 4.48Å; M126-F231 HydrophobicContact SD-CE2 4.45Å; M126-F231 HydrophobicContact SD-CG 4.15Å |
| 127 | G | 89.3 | Confident | 88.8 | Confident | 11 Ų | 11 | 30.6 Ų | 30.6 | 11% | 0.113 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.2 | -47.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y123 N124 L129 T130 N131 | Y123-G127 PolarHBondContact O-N 3.47Å; N124-G127 PolarHBondContact O-N 3.02Å; G127-L129 PolarHBondContact O-N 3.07Å; G127-T130 PolarHBondContact O-N 2.82Å; G127-N131 WeakPolarHBondContact O-CB 3.45Å; G127-N131 VanDerWaalsContact O-CG 3.24Å; G127-N131 PolarHBondContact O-N 3.3Å; G127-N131 PolarHBondContact O-OD1 2.89Å |
| 128 | F | 89.9 | Confident | 88.3 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -55.3 | -51.2 | 175.8 | 171.4 | -112.1 | 0 | 0 | 0 | 112.4 | L79 P82 I83 N124 F125 T130 N131 Y132 I242 K247 | L79-F128 HydrophobicContact CB-CE2 4.33Å; P82-F128 HydrophobicContact CB-CB 3.76Å; P82-F128 HydrophobicContact CG-CB 4.49Å; I83-F128 HydrophobicContact CD1-CD2 4.06Å; I83-F128 HydrophobicContact CD1-CE2 3.54Å; I83-F128 HydrophobicContact CD1-CZ 4.15Å; I83-F128 HydrophobicContact CG1-CD2 3.76Å; I83-F128 HydrophobicContact CG1-CE2 3.74Å; I83-F128 HydrophobicContact CG1-CG 4.42Å; I83-F128 HydrophobicContact CG1-CZ 4.36Å; N124-F128 WeakPolarHBondContact O-CB 3.44Å; N124-F128 PolarHBondContact O-N 3.02Å; F125-F128 HydrophobicContact CD2-CD1 4.46Å; F125-F128 HydrophobicContact CE2-CD1 4.42Å; F125-F128 WeakPolarHBondContact O-CB 3.48Å; F125-F128 PolarHBondContact O-N 3.38Å; F128-T130 VanDerWaalsContact C-N 3.33Å; F128-T130 PolarHBondContact O-N 2.82Å; F128-N131 PolarHBondContact O-N 3.01Å; F128-Y132 WeakPolarHBondContact O-CB 3.28Å; F128-Y132 PolarHBondContact O-N 2.78Å; F128-I242 HydrophobicContact CE1-CD1 3.93Å; F128-I242 HydrophobicContact CZ-CD1 4.22Å; F128-K247 HydrophobicContact CE1-CD 4.16Å |
| 129 | L | 89.2 | Confident | 88 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.4 | -40.2 | -179.7 | -64.1 | 179.9 | 0 | 0 | 0 | 111.6 | F125 M126 G127 L133 F231 L239 I242 P244 | F125-L129 HydrophobicContact CD1-CD1 4.05Å; F125-L129 HydrophobicContact CD1-CG 4.38Å; F125-L129 HydrophobicContact CE1-CD1 3.57Å; F125-L129 HydrophobicContact CE1-CD2 4.44Å; F125-L129 HydrophobicContact CE1-CG 4.07Å; F125-L129 HydrophobicContact CZ-CD1 4.09Å; F125-L129 HydrophobicContact CZ-CD2 4.13Å; F125-L129 HydrophobicContact CZ-CG 4.22Å; F125-L129 WeakPolarHBondContact O-CG 3Å; F125-L129 PolarHBondContact O-N 3.25Å; M126-L129 PolarHBondContact O-N 2.82Å; G127-L129 PolarHBondContact O-N 3.07Å; L129-L133 WeakPolarHBondContact O-CD1 3.21Å; L129-L133 VanDerWaalsContact O-CG 3.31Å; L129-L133 WeakPolarHBondContact O-CG 3.33Å; L129-L133 PolarHBondContact O-N 2.86Å; L129-L133 VanDerWaalsContact O-N 3.15Å; L129-F231 HydrophobicContact CB-CE1 3.75Å; L129-F231 HydrophobicContact CB-CZ 4.42Å; L129-F231 HydrophobicContact CD1-CD1 4.21Å; L129-F231 HydrophobicContact CD1-CE1 4.11Å; L129-L239 HydrophobicContact CD2-CD1 4.35Å; L129-L239 HydrophobicContact CD2-CD2 4.04Å; L129-I242 HydrophobicContact CD2-CD1 3.86Å; L129-P244 HydrophobicContact CD2-CB 4.12Å |
| 130 | T | 88.5 | Confident | 87.6 | Confident | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.025 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67 | -47.5 | 178.7 | -50.2 | 0 | 0 | 0 | 0 | 111 | M126 G127 F128 Y132 L133 T134 K173 | M126-T130 WeakPolarHBondContact O-CB 3.28Å; M126-T130 PolarHBondContact O-N 2.71Å; M126-T130 PolarHBondContact O-OG1 3.43Å; G127-T130 PolarHBondContact O-N 2.82Å; F128-T130 VanDerWaalsContact C-N 3.33Å; F128-T130 PolarHBondContact O-N 2.82Å; T130-Y132 VanDerWaalsContact C-N 3.29Å; T130-Y132 PolarHBondContact O-N 3.5Å; T130-L133 PolarHBondContact O-N 2.93Å; T130-L133 VanDerWaalsContact O-N 3.12Å; T130-T134 PolarHBondContact O-N 3.21Å; T130-T134 PolarHBondContact O-OG1 3.16Å; T130-T134 VanDerWaalsContact O-OG1 3.07Å; T130-K173 WeakPolarHBondContact OG1-CE 3.14Å |
| 131 | N | 88.8 | Confident | 87.2 | Confident | 44 Ų | 44 | 39 Ų | 39 | 24% | 0.235 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.8 | -39 | 179.7 | -71.3 | -2.3 | 0 | 0 | 0 | 111.4 | E78 L79 G127 F128 L133 N135 | E78-N131 PolarHBondContact O-ND2 3.12Å; L79-N131 HydrophobicContact CD2-CB 3.78Å; G127-N131 WeakPolarHBondContact O-CB 3.45Å; G127-N131 VanDerWaalsContact O-CG 3.24Å; G127-N131 PolarHBondContact O-N 3.3Å; G127-N131 PolarHBondContact O-OD1 2.89Å; F128-N131 PolarHBondContact O-N 3.01Å; N131-L133 VanDerWaalsContact C-N 3.35Å; N131-L133 PolarHBondContact O-N 3.5Å; N131-N135 VanDerWaalsContact O-CB 3.24Å; N131-N135 WeakPolarHBondContact O-CB 3.44Å; N131-N135 PolarHBondContact O-N 3.14Å |
| 132 | Y | 87.6 | Confident | 86.5 | Confident | 36 Ų | 36 | 44.4 Ų | 44.4 | 14% | 0.141 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.9 | -45.8 | 174.4 | 177.9 | -95.5 | 0 | 0 | 0 | 111.7 | L79 F128 T130 R136 L239 I242 | L79-Y132 HydrophobicContact CD1-CD2 4.16Å; L79-Y132 VanDerWaalsContact CD2-N 3.31Å; F128-Y132 WeakPolarHBondContact O-CB 3.28Å; F128-Y132 PolarHBondContact O-N 2.78Å; T130-Y132 VanDerWaalsContact C-N 3.29Å; T130-Y132 PolarHBondContact O-N 3.5Å; Y132-R136 WeakPolarHBondContact O-CB 3.32Å; Y132-R136 PolarHBondContact O-N 3.03Å; Y132-R136 VanDerWaalsContact O-N 3.07Å; Y132-L239 HydrophobicContact CD1-CD2 3.86Å; Y132-L239 HydrophobicContact CE1-CD2 4.39Å; Y132-I242 HydrophobicContact CD1-CD1 3.96Å; Y132-I242 HydrophobicContact CD1-CG1 4.47Å; Y132-I242 HydrophobicContact CD1-CG2 4.25Å; Y132-I242 HydrophobicContact CD2-CG2 3.8Å; Y132-I242 HydrophobicContact CE1-CD1 4.3Å; Y132-I242 HydrophobicContact CE1-CG1 4.32Å; Y132-I242 HydrophobicContact CE1-CG2 3.79Å; Y132-I242 HydrophobicContact CE2-CG2 3.28Å; Y132-I242 HydrophobicContact CG-CD1 4.15Å; Y132-I242 HydrophobicContact CG-CG2 4.26Å |
| 133 | L | 87.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.2 | -43.6 | -179.9 | -71 | 167 | 0 | 0 | 0 | 112.5 | L129 T130 N131 N135 R136 Y137 L140 F231 L235 E238 L239 | L129-L133 WeakPolarHBondContact O-CD1 3.21Å; L129-L133 VanDerWaalsContact O-CG 3.31Å; L129-L133 WeakPolarHBondContact O-CG 3.33Å; L129-L133 PolarHBondContact O-N 2.86Å; L129-L133 VanDerWaalsContact O-N 3.15Å; T130-L133 PolarHBondContact O-N 2.93Å; T130-L133 VanDerWaalsContact O-N 3.12Å; N131-L133 VanDerWaalsContact C-N 3.35Å; N131-L133 PolarHBondContact O-N 3.5Å; L133-N135 VanDerWaalsContact C-N 3.33Å; L133-N135 PolarHBondContact O-N 2.84Å; L133-R136 PolarHBondContact O-N 2.74Å; L133-Y137 HydrophobicContact CD2-CD2 4.18Å; L133-Y137 HydrophobicContact CD2-CE2 4.37Å; L133-Y137 WeakPolarHBondContact O-CA 3.49Å; L133-Y137 WeakPolarHBondContact O-CB 3.47Å; L133-Y137 PolarHBondContact O-N 3.14Å; L133-L140 HydrophobicContact CB-CD1 4.07Å; L133-L140 HydrophobicContact CB-CD2 3.72Å; L133-L140 HydrophobicContact CD2-CD1 4.39Å; L133-F231 HydrophobicContact CD1-CE1 3.98Å; L133-F231 HydrophobicContact CD1-CZ 3.69Å; L133-L235 HydrophobicContact CD1-CB 4.08Å; L133-L235 HydrophobicContact CD1-CD1 3.55Å; L133-L235 HydrophobicContact CD1-CD2 3.95Å; L133-L235 HydrophobicContact CD1-CG 4.05Å; L133-L235 HydrophobicContact CD2-CD2 4.38Å; L133-E238 HydrophobicContact CD2-CB 3.58Å; L133-L239 HydrophobicContact CD1-CD1 4.41Å; L133-L239 HydrophobicContact CD1-CD2 3.93Å; L133-L239 HydrophobicContact CD1-CG 4.21Å; L133-L239 HydrophobicContact CD2-CD2 3.82Å; L133-L239 HydrophobicContact CD2-CG 4.07Å; L133-L239 HydrophobicContact CG-CD2 3.72Å; L133-L239 HydrophobicContact CG-CG 4.32Å |
| 134 | T | 86.3 | Confident | 85.6 | Confident | 79 Ų | 79 | 45.9 Ų | 45.9 | 49% | 0.485 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.2 | -40.2 | 178.2 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | T130 | T130-T134 PolarHBondContact O-N 3.21Å; T130-T134 PolarHBondContact O-OG1 3.16Å; T130-T134 VanDerWaalsContact O-OG1 3.07Å |
| 135 | N | 84.8 | Confident | 85.1 | Confident | 108 Ų | 108 | 51.4 Ų | 51.4 | 58% | 0.578 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -69.6 | -36.3 | 178.7 | -169.5 | 35.2 | 0 | 0 | 0 | 112.2 | N131 L133 | N131-N135 VanDerWaalsContact O-CB 3.24Å; N131-N135 WeakPolarHBondContact O-CB 3.44Å; N131-N135 PolarHBondContact O-N 3.14Å; L133-N135 VanDerWaalsContact C-N 3.33Å; L133-N135 PolarHBondContact O-N 2.84Å |
| 136 | R | 84.3 | Confident | 84.5 | Confident | 169 Ų | 169 | 55.4 Ų | 55.4 | 64% | 0.638 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -83.3 | -33.1 | -179.4 | -171.5 | 60.5 | 175.8 | 158.5 | 0.8 | 113.1 | Y132 L133 | Y132-R136 WeakPolarHBondContact O-CB 3.32Å; Y132-R136 PolarHBondContact O-N 3.03Å; Y132-R136 VanDerWaalsContact O-N 3.07Å; L133-R136 PolarHBondContact O-N 2.74Å |
| 137 | Y | 85.2 | Confident | 83.9 | Confident | 58 Ų | 58 | 57.7 Ų | 57.7 | 23% | 0.227 | 31% | 0.308 | C | S | . | . | trans | -131.6 | 88.7 | -173.4 | -57.1 | -78.9 | 0 | 0 | 0 | 110.3 | L133 N139 L140 I143 E238 | L133-Y137 HydrophobicContact CD2-CD2 4.18Å; L133-Y137 HydrophobicContact CD2-CE2 4.37Å; L133-Y137 WeakPolarHBondContact O-CA 3.49Å; L133-Y137 WeakPolarHBondContact O-CB 3.47Å; L133-Y137 PolarHBondContact O-N 3.14Å; Y137-N139 PolarHBondContact O-N 2.86Å; Y137-N139 VanDerWaalsContact O-N 3.16Å; Y137-L140 WeakPolarHBondContact O-CB 3.33Å; Y137-L140 PolarHBondContact O-N 2.86Å; Y137-I143 HydrophobicContact CD1-CD1 3.73Å; Y137-I143 HydrophobicContact CG-CD1 4.1Å; Y137-E238 HydrophobicContact CD2-CB 4.47Å; Y137-E238 WeakPolarHBondContact CE1-OE2 3.25Å; Y137-E238 HydrophobicContact CE2-CB 3.86Å; Y137-E238 HydrophobicContact CE2-CG 4.39Å; Y137-E238 WeakPolarHBondContact CE2-OE2 3.49Å; Y137-E238 PolarHBondContact OH-OE2 3.05Å | ||
| 138 | P | 79.6 | Confident | 82.9 | Confident | 112 Ų | 112 | 63.6 Ų | 63.6 | 73% | 0.727 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -25 | 177.7 | 23 | -32.7 | 0 | 0 | 0 | 112.8 | ||
| 139 | N | 82.6 | Confident | 81.8 | Confident | 110 Ų | 110 | 69.6 Ų | 69.6 | 59% | 0.588 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 30.2 | 175.3 | -62.3 | -36.5 | 0 | 0 | 0 | 112.9 | Y137 V141 L142 I143 | Y137-N139 PolarHBondContact O-N 2.86Å; Y137-N139 VanDerWaalsContact O-N 3.16Å; N139-V141 PolarHBondContact O-N 3.21Å; N139-V141 VanDerWaalsContact O-N 3.14Å; N139-L142 HydrophobicContact CB-CB 4.28Å; N139-L142 WeakPolarHBondContact O-CB 3.47Å; N139-L142 PolarHBondContact O-N 3.19Å; N139-I143 PolarHBondContact O-N 3.33Å; N139-I143 VanDerWaalsContact O-N 3.11Å |
| 140 | L | 82.4 | Confident | 80.7 | Confident | 8 Ų | 8 | 72.7 Ų | 72.7 | 4% | 0.042 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -50.7 | -40.2 | -177.8 | -179.2 | 63.9 | 0 | 0 | 0 | 112.9 | L133 Y137 L142 I143 L144 L169 L235 | L133-L140 HydrophobicContact CB-CD1 4.07Å; L133-L140 HydrophobicContact CB-CD2 3.72Å; L133-L140 HydrophobicContact CD2-CD1 4.39Å; Y137-L140 WeakPolarHBondContact O-CB 3.33Å; Y137-L140 PolarHBondContact O-N 2.86Å; L140-L142 PolarHBondContact O-N 3.1Å; L140-I143 PolarHBondContact O-N 3.31Å; L140-L144 HydrophobicContact CD1-CD1 4.23Å; L140-L144 HydrophobicContact CG-CD1 3.87Å; L140-L144 WeakPolarHBondContact O-CB 3.44Å; L140-L144 WeakPolarHBondContact O-CD1 2.94Å; L140-L144 WeakPolarHBondContact O-CG 3.19Å; L140-L144 PolarHBondContact O-N 3.36Å; L140-L169 HydrophobicContact CD2-CD1 3.86Å; L140-L169 HydrophobicContact CD2-CD2 4.32Å; L140-L169 HydrophobicContact CG-CD1 4.25Å; L140-L235 HydrophobicContact CD1-CD2 3.77Å |
| 141 | V | 80.7 | Confident | 79.4 | Confident | 54 Ų | 54 | 80.8 Ų | 80.8 | 33% | 0.327 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 179 | 177.3 | 0 | 0 | 0 | 0 | 111.4 | N139 L144 E145 E166 L169 | N139-V141 PolarHBondContact O-N 3.21Å; N139-V141 VanDerWaalsContact O-N 3.14Å; V141-L144 WeakPolarHBondContact O-CB 3.41Å; V141-L144 PolarHBondContact O-N 3.47Å; V141-E145 HydrophobicContact CG1-CG 4.45Å; V141-E145 WeakPolarHBondContact O-CG 3.46Å; V141-E145 PolarHBondContact O-N 2.77Å; V141-E166 HydrophobicContact CG1-CB 4.11Å; V141-E166 HydrophobicContact CG2-CB 4.39Å; V141-L169 HydrophobicContact CG2-CD1 4.39Å |
| 142 | L | 77.9 | Confident | 78.4 | Confident | 115 Ų | 115 | 79.3 Ų | 79.3 | 60% | 0.602 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -66.7 | -40.3 | 178.5 | -165.2 | 104.2 | 0 | 0 | 0 | 111.6 | N139 L140 L144 E145 A146 | N139-L142 HydrophobicContact CB-CB 4.28Å; N139-L142 WeakPolarHBondContact O-CB 3.47Å; N139-L142 PolarHBondContact O-N 3.19Å; L140-L142 PolarHBondContact O-N 3.1Å; L142-L144 VanDerWaalsContact C-N 3.27Å; L142-L144 PolarHBondContact O-N 3.26Å; L142-E145 PolarHBondContact O-N 3.48Å; L142-A146 WeakPolarHBondContact O-CB 3.2Å; L142-A146 PolarHBondContact O-N 3.34Å |
| 143 | I | 81.1 | Confident | 77.1 | Confident | 46 Ų | 46 | 81.6 Ų | 81.6 | 24% | 0.236 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 175.6 | -63.6 | 170 | 0 | 0 | 0 | 110.3 | Y137 N139 L140 K147 | Y137-I143 HydrophobicContact CD1-CD1 3.73Å; Y137-I143 HydrophobicContact CG-CD1 4.1Å; N139-I143 PolarHBondContact O-N 3.33Å; N139-I143 VanDerWaalsContact O-N 3.11Å; L140-I143 PolarHBondContact O-N 3.31Å; I143-K147 WeakPolarHBondContact O-CG 3.42Å; I143-K147 PolarHBondContact O-N 3.14Å |
| 144 | L | 80.4 | Confident | 75 | Confident | 0 Ų | 0 | 86.3 Ų | 86.3 | 0% | 0 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -69.2 | -40.3 | 176 | -78.7 | 160.3 | 0 | 0 | 0 | 112.3 | L140 V141 L142 A146 K147 M164 L168 L169 V234 L235 | L140-L144 HydrophobicContact CD1-CD1 4.23Å; L140-L144 HydrophobicContact CG-CD1 3.87Å; L140-L144 WeakPolarHBondContact O-CB 3.44Å; L140-L144 WeakPolarHBondContact O-CD1 2.94Å; L140-L144 WeakPolarHBondContact O-CG 3.19Å; L140-L144 PolarHBondContact O-N 3.36Å; V141-L144 WeakPolarHBondContact O-CB 3.41Å; V141-L144 PolarHBondContact O-N 3.47Å; L142-L144 VanDerWaalsContact C-N 3.27Å; L142-L144 PolarHBondContact O-N 3.26Å; L144-A146 VanDerWaalsContact C-N 3.28Å; L144-A146 PolarHBondContact O-N 3.44Å; L144-K147 PolarHBondContact O-N 2.85Å; L144-M164 WeakPolarHBondContact O-CB 3.17Å; L144-L168 HydrophobicContact CD2-CD2 4.23Å; L144-L169 HydrophobicContact CD1-CD1 3.53Å; L144-L169 HydrophobicContact CD1-CD2 3.71Å; L144-L169 HydrophobicContact CD1-CG 3.52Å; L144-V234 HydrophobicContact CD2-CG1 3.45Å; L144-V234 VanDerWaalsContact CD2-CG1 3.45Å; L144-L235 HydrophobicContact CD2-CD2 3.91Å; L144-L235 HydrophobicContact CD2-CG 4.21Å; L144-L235 HydrophobicContact CG-CD2 4.27Å |
| 145 | E | 79.6 | Confident | 73.4 | Confident | 118 Ų | 118 | 88.3 Ų | 88.3 | 55% | 0.551 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65 | -32.6 | 176 | -75.9 | 175.8 | 179.6 | 0 | 0 | 112.5 | V141 L142 K147 | V141-E145 HydrophobicContact CG1-CG 4.45Å; V141-E145 WeakPolarHBondContact O-CG 3.46Å; V141-E145 PolarHBondContact O-N 2.77Å; L142-E145 PolarHBondContact O-N 3.48Å; E145-K147 VanDerWaalsContact C-N 3.29Å; E145-K147 PolarHBondContact O-N 3.37Å |
| 146 | A | 77.9 | Confident | 72.1 | Confident | 87 Ų | 87 | 86.1 Ų | 86.1 | 72% | 0.719 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -12.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L142 L144 | L142-A146 WeakPolarHBondContact O-CB 3.2Å; L142-A146 PolarHBondContact O-N 3.34Å; L144-A146 VanDerWaalsContact C-N 3.28Å; L144-A146 PolarHBondContact O-N 3.44Å |
| 147 | K | 78.2 | Confident | 70.8 | Confident | 51 Ų | 51 | 81.7 Ų | 81.7 | 22% | 0.222 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -86.1 | 142.7 | 178.2 | -80.6 | 179.4 | 179.8 | -74.9 | 0 | 111.3 | I143 L144 E145 E237 | I143-K147 WeakPolarHBondContact O-CG 3.42Å; I143-K147 PolarHBondContact O-N 3.14Å; L144-K147 PolarHBondContact O-N 2.85Å; E145-K147 VanDerWaalsContact C-N 3.29Å; E145-K147 PolarHBondContact O-N 3.37Å; K147-E237 IonicContact NZ-OE2 2.98Å; K147-E237 PolarHBondContact NZ-OE2 3.38Å |
| 148 | D | 68.9 | Low | 69.3 | Low | 136 Ų | 136 | 85.1 Ų | 85.1 | 73% | 0.727 | 48% | 0.475 | S | S | * | . | trans | -59.6 | 141.1 | 176.9 | -71.2 | -39.4 | 0 | 0 | 0 | 112.4 | Q150 M164 | D148-Q150 PolarHBondContact O-N 2.84Å; D148-Q150 PolarHBondContact O-NE2 3.41Å; D148-M164 WeakPolarHBondContact O-CE 3.49Å | ||
| 149 | Q | 66.7 | Low | 68.2 | Low | 126 Ų | 126 | 82.5 Ų | 82.5 | 59% | 0.589 | 46% | 0.459 | S | S | * | . | trans | -54.2 | 115.3 | 175.3 | -74.8 | -171 | -17.3 | 0 | 0 | 111.1 | M164 | Q149-M164 HydrophobicContact CG-CG 4.27Š| ||
| 150 | Q | 65.1 | Low | 67.1 | Low | 66 Ų | 66 | 82.2 Ų | 82.2 | 31% | 0.308 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -84 | 130.2 | 179.5 | -65.6 | -56.8 | -62.8 | 0 | 0 | 110.2 | D148 M164 V234 | D148-Q150 PolarHBondContact O-N 2.84Å; D148-Q150 PolarHBondContact O-NE2 3.41Å; Q150-M164 HydrophobicContact CB-CE 3.63Å; Q150-M164 HydrophobicContact CG-CE 3.64Å; Q150-V234 HydrophobicContact CB-CG2 4.21Å; Q150-V234 HydrophobicContact CG-CG2 3.93Å |
| 151 | K | 61.4 | Low | 66.2 | Low | 173 Ų | 173 | 84.7 Ų | 84.7 | 75% | 0.752 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 140.2 | 170.2 | -68.1 | -179 | -178.9 | 178 | 0 | 110.4 | ||
| 152 | H | 67.8 | Low | 65.6 | Low | 13 Ų | 13 | 85 Ų | 85 | 6% | 0.06 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 149.1 | 172.4 | -74.5 | -59.5 | 0 | 0 | 0 | 111.7 | L156 C159 P160 W162 Y226 | H152-L156 HydrophobicContact CB-CB 4.48Å; H152-L156 WeakPolarHBondContact CB-O 3.41Å; H152-C159 PolarHBondContact CD2-O 3.31Å; H152-P160 PolarHBondContact CD2-O 3.46Å; H152-P160 PolarHBondContact NE2-O 2.77Å; H152-W162 AromaticContact CE1-CD1 3.98Å; H152-W162 AromaticContact CE1-NE1 3.99Å; H152-W162 AromaticContact NE2-CD1 3.96Å; H152-Y226 VanDerWaalsContact CA-OH 3.24Å; H152-Y226 WeakPolarHBondContact CA-OH 3.46Å; H152-Y226 WeakPolarHBondContact CB-OH 3.48Å; H152-Y226 AromaticContact ND1-CZ 3.82Å; H152-Y226 PolarHBondContact ND1-OH 2.7Å |
| 153 | F | 61.1 | Low | 65 | Low | 84 Ų | 84 | 81.9 Ų | 81.9 | 37% | 0.368 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 153 | 174.2 | -84.3 | -79.8 | 0 | 0 | 0 | 110.9 | L156 Y226 K233 | F153-L156 PolarHBondContact O-N 2.92Å; F153-Y226 HydrophobicContact CB-CE2 3.83Å; F153-Y226 PolarHBondContact N-OH 2.8Å; F153-K233 HydrophobicContact CD2-CD 4.31Å; F153-K233 HydrophobicContact CE2-CB 4.06Å; F153-K233 HydrophobicContact CE2-CD 3.46Å; F153-K233 VanDerWaalsContact CE2-CD 3.46Å; F153-K233 HydrophobicContact CE2-CG 4.29Å; F153-K233 HydrophobicContact CZ-CD 3.62Å; F153-K233 HydrophobicContact CZ-CG 4.42Å |
| 154 | P | 42.4 | Very low | 64.6 | Low | 99 Ų | 99 | 81 Ų | 81 | 64% | 0.643 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 132.9 | 169 | -14 | 26 | 0 | 0 | 0 | 109.3 | C157 | P154-C157 WeakPolarHBondContact CA-SG 3.32Š|
| 155 | P | 54.1 | Low | 64.5 | Low | 121 Ų | 121 | 81 Ų | 81 | 79% | 0.786 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -96.1 | 1.3 | 19 | 35.5 | -34.6 | 0 | 0 | 0 | 116.6 | C157 | P155-C157 VanDerWaalsContact C-N 3.32Å; P155-C157 PolarHBondContact O-N 3.19Å |
| 156 | L | 57.6 | Low | 64.5 | Low | 62 Ų | 62 | 79.9 Ų | 79.9 | 33% | 0.325 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -92.4 | 21.4 | -175.6 | -74.5 | 155.3 | 0 | 0 | 0 | 113.7 | H152 F153 C158 C159 Y226 | H152-L156 HydrophobicContact CB-CB 4.48Å; H152-L156 WeakPolarHBondContact CB-O 3.41Å; F153-L156 PolarHBondContact O-N 2.92Å; L156-C158 PolarHBondContact O-N 3.41Å; L156-C159 VanDerWaalsContact CD2-SG 3.53Å; L156-C159 WeakPolarHBondContact O-CB 3.09Å; L156-C159 PolarHBondContact O-N 3.45Å; L156-Y226 HydrophobicContact CD1-CD1 4.18Å; L156-Y226 HydrophobicContact CD1-CD2 4.4Å; L156-Y226 HydrophobicContact CD1-CE1 4.03Å; L156-Y226 HydrophobicContact CD1-CE2 4.22Å; L156-Y226 HydrophobicContact CD1-CG 4.39Å |
| 157 | C | 56.8 | Low | 64.6 | Low | 76 Ų | 76 | 78.4 Ų | 78.4 | 51% | 0.514 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -21.4 | -179.8 | -64.6 | 0 | 0 | 0 | 0 | 114.4 | P154 P155 | P154-C157 WeakPolarHBondContact CA-SG 3.32Å; P155-C157 VanDerWaalsContact C-N 3.32Å; P155-C157 PolarHBondContact O-N 3.19Å |
| 158 | C | 53.2 | Low | 64.9 | Low | 131 Ų | 131 | 76.1 Ų | 76.1 | 89% | 0.885 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -8.5 | -179 | -55.6 | 0 | 0 | 0 | 0 | 113.5 | L156 | L156-C158 PolarHBondContact O-N 3.41Š|
| 159 | C | 57 | Low | 65.6 | Low | 57 Ų | 57 | 70.6 Ų | 70.6 | 39% | 0.385 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -79.2 | 147.4 | 177.2 | -69.7 | 0 | 0 | 0 | 0 | 111 | H152 L156 | H152-C159 PolarHBondContact CD2-O 3.31Å; L156-C159 VanDerWaalsContact CD2-SG 3.53Å; L156-C159 WeakPolarHBondContact O-CB 3.09Å; L156-C159 PolarHBondContact O-N 3.45Å |
| 160 | P | 58.5 | Low | 66.4 | Low | 104 Ų | 104 | 66.5 Ų | 66.5 | 68% | 0.675 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -61 | 135.7 | 176.1 | 23.9 | -31.8 | 0 | 0 | 0 | 110.2 | H152 | H152-P160 PolarHBondContact CD2-O 3.46Å; H152-P160 PolarHBondContact NE2-O 2.77Å |
| 161 | P | 64.1 | Low | 67.4 | Low | 59 Ų | 59 | 69 Ų | 69 | 38% | 0.383 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 141.2 | 175.8 | 24.1 | -31.6 | 0 | 0 | 0 | 109.8 | ||
| 162 | W | 67.4 | Low | 68.6 | Low | 61 Ų | 61 | 60.8 Ų | 60.8 | 23% | 0.231 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 143.2 | 176.3 | -68.5 | -10.9 | 0 | 0 | 0 | 110.2 | H152 M164 L168 R171 L230 | H152-W162 AromaticContact CE1-CD1 3.98Å; H152-W162 AromaticContact CE1-NE1 3.99Å; H152-W162 AromaticContact NE2-CD1 3.96Å; W162-M164 PolarHBondContact O-N 3.38Å; W162-L168 HydrophobicContact CB-CD1 4.46Å; W162-L168 HydrophobicContact CE3-CD1 3.78Å; W162-R171 HydrophobicContact CD2-CB 4.02Å; W162-R171 HydrophobicContact CD2-CG 4.38Å; W162-R171 HydrophobicContact CE3-CB 3.5Å; W162-R171 HydrophobicContact CE3-CG 4.31Å; W162-R171 HydrophobicContact CH2-CB 3.81Å; W162-R171 HydrophobicContact CZ2-CB 4.29Å; W162-R171 HydrophobicContact CZ3-CB 3.4Å; W162-L230 HydrophobicContact CE3-CD2 4.13Å; W162-L230 HydrophobicContact CZ3-CD2 4.2Å |
| 163 | A | 66.6 | Low | 69.6 | Low | 50 Ų | 50 | 62.4 Ų | 62.4 | 41% | 0.413 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -58 | 128.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | V167 L168 | A163-V167 HydrophobicContact CB-CB 4.29Å; A163-V167 HydrophobicContact CB-CG1 4.43Å; A163-L168 PolarHBondContact O-N 3.07Å |
| 164 | M | 71.4 | Confident | 70.9 | Confident | 27 Ų | 27 | 60.6 Ų | 60.6 | 13% | 0.133 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 160.3 | 177.8 | -74.8 | -61.1 | 177.3 | 0 | 0 | 111.4 | L144 D148 Q149 Q150 W162 L168 V234 | L144-M164 WeakPolarHBondContact O-CB 3.17Å; D148-M164 WeakPolarHBondContact O-CE 3.49Å; Q149-M164 HydrophobicContact CG-CG 4.27Å; Q150-M164 HydrophobicContact CB-CE 3.63Å; Q150-M164 HydrophobicContact CG-CE 3.64Å; W162-M164 PolarHBondContact O-N 3.38Å; M164-L168 HydrophobicContact CE-CD2 4.35Å; M164-L168 HydrophobicContact SD-CD2 3.58Å; M164-L168 VanDerWaalsContact SD-CD2 3.58Å; M164-V234 HydrophobicContact CE-CG1 4.46Å; M164-V234 HydrophobicContact CE-CG2 4.2Å; M164-V234 HydrophobicContact SD-CG1 4.31Å |
| 165 | G | 78.7 | Confident | 73.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.5 | -138.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | V167 L168 L169 | G165-V167 VanDerWaalsContact C-N 3.3Å; G165-V167 PolarHBondContact O-N 3.34Å; G165-L168 PolarHBondContact O-N 2.98Å; G165-L169 PolarHBondContact O-N 3.42Å |
| 166 | E | 79.3 | Confident | 74.8 | Confident | 94 Ų | 94 | 50.2 Ų | 50.2 | 44% | 0.439 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.8 | -37 | -175.8 | -173.7 | -172.2 | -166.8 | 0 | 0 | 112.5 | V141 L168 L169 F170 R359 | V141-E166 HydrophobicContact CG1-CB 4.11Å; V141-E166 HydrophobicContact CG2-CB 4.39Å; E166-L168 PolarHBondContact O-N 3.33Å; E166-L169 PolarHBondContact O-N 3.38Å; E166-F170 WeakPolarHBondContact O-CB 3.18Å; E166-F170 PolarHBondContact O-N 2.88Å; E166-R359 IonicContact OE2-CZ 2.59Å; E166-R359 IonicContact OE2-NH2 3.42Å; E166-R359 PolarHBondContact OE2-NH2 3.12Å |
| 167 | V | 79.9 | Confident | 76.3 | Confident | 56 Ų | 56 | 47.8 Ų | 47.8 | 34% | 0.339 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.5 | -42.1 | -176.7 | 179.3 | 0 | 0 | 0 | 0 | 111.1 | A163 G165 R171 | A163-V167 HydrophobicContact CB-CB 4.29Å; A163-V167 HydrophobicContact CB-CG1 4.43Å; G165-V167 VanDerWaalsContact C-N 3.3Å; G165-V167 PolarHBondContact O-N 3.34Å; V167-R171 HydrophobicContact CG1-CG 4.15Å; V167-R171 VanDerWaalsContact O-CB 3.31Å; V167-R171 WeakPolarHBondContact O-CB 3.44Å; V167-R171 WeakPolarHBondContact O-CG 3.31Å; V167-R171 PolarHBondContact O-N 3.02Å |
| 168 | L | 84.4 | Confident | 78 | Confident | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.8 | -49.7 | 175.8 | 173.8 | 65.8 | 0 | 0 | 0 | 111.1 | L144 W162 A163 M164 G165 E166 F170 R171 C172 L230 V234 | L144-L168 HydrophobicContact CD2-CD2 4.23Å; W162-L168 HydrophobicContact CB-CD1 4.46Å; W162-L168 HydrophobicContact CE3-CD1 3.78Å; A163-L168 PolarHBondContact O-N 3.07Å; M164-L168 HydrophobicContact CE-CD2 4.35Å; M164-L168 HydrophobicContact SD-CD2 3.58Å; M164-L168 VanDerWaalsContact SD-CD2 3.58Å; G165-L168 PolarHBondContact O-N 2.98Å; E166-L168 PolarHBondContact O-N 3.33Å; L168-F170 VanDerWaalsContact C-N 3.33Å; L168-F170 PolarHBondContact O-N 3.37Å; L168-R171 PolarHBondContact O-N 2.95Å; L168-C172 WeakPolarHBondContact O-CB 3.23Å; L168-C172 PolarHBondContact O-N 3.08Å; L168-C172 PolarHBondContact O-SG 2.88Å; L168-L230 HydrophobicContact CD1-CD2 4.21Å; L168-V234 HydrophobicContact CD2-CB 4.1Å; L168-V234 HydrophobicContact CD2-CG1 3.8Å; L168-V234 HydrophobicContact CD2-CG2 3.8Å |
| 169 | L | 83.6 | Confident | 79.8 | Confident | 20 Ų | 20 | 40.9 Ų | 40.9 | 11% | 0.105 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.6 | -49.1 | 178.7 | -69.6 | 177.8 | 0 | 0 | 0 | 111 | L140 V141 L144 G165 E166 C172 K173 F231 L235 | L140-L169 HydrophobicContact CD2-CD1 3.86Å; L140-L169 HydrophobicContact CD2-CD2 4.32Å; L140-L169 HydrophobicContact CG-CD1 4.25Å; V141-L169 HydrophobicContact CG2-CD1 4.39Å; L144-L169 HydrophobicContact CD1-CD1 3.53Å; L144-L169 HydrophobicContact CD1-CD2 3.71Å; L144-L169 HydrophobicContact CD1-CG 3.52Å; G165-L169 PolarHBondContact O-N 3.42Å; E166-L169 PolarHBondContact O-N 3.38Å; L169-C172 PolarHBondContact O-N 3.18Å; L169-K173 WeakPolarHBondContact O-CB 3.39Å; L169-K173 WeakPolarHBondContact O-CG 3.31Å; L169-K173 PolarHBondContact O-N 3.33Å; L169-F231 HydrophobicContact CD2-CD2 4.06Å; L169-F231 HydrophobicContact CD2-CE2 3.38Å; L169-F231 HydrophobicContact CD2-CZ 4.3Å; L169-L235 HydrophobicContact CD2-CD1 4.19Å |
| 170 | F | 84 | Confident | 81.4 | Confident | 39 Ų | 39 | 39.3 Ų | 39.3 | 17% | 0.171 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.2 | -46.3 | 179 | 179.7 | -97.3 | 0 | 0 | 0 | 111.9 | E166 L168 K173 L174 Q346 H349 V350 | E166-F170 WeakPolarHBondContact O-CB 3.18Å; E166-F170 PolarHBondContact O-N 2.88Å; L168-F170 VanDerWaalsContact C-N 3.33Å; L168-F170 PolarHBondContact O-N 3.37Å; F170-K173 PolarHBondContact O-N 3.4Å; F170-L174 HydrophobicContact CE1-CD2 4.01Å; F170-L174 HydrophobicContact CZ-CD2 4.44Å; F170-L174 VanDerWaalsContact O-CB 3.29Å; F170-L174 WeakPolarHBondContact O-CB 3.34Å; F170-L174 PolarHBondContact O-N 2.87Å; F170-Q346 HydrophobicContact CE2-CG 4.02Å; F170-H349 AromaticContact CE1-ND1 3.58Å; F170-H349 HydrophobicContact CE2-CB 3.81Å; F170-H349 AromaticContact CE2-CG 3.76Å; F170-H349 AromaticContact CE2-ND1 3.77Å; F170-H349 HydrophobicContact CZ-CB 3.8Å; F170-H349 AromaticContact CZ-CG 3.7Å; F170-H349 AromaticContact CZ-ND1 3.31Å; F170-H349 VanDerWaalsContact CZ-ND1 3.31Å; F170-H349 WeakPolarHBondContact CZ-ND1 3.12Å; F170-V350 HydrophobicContact CZ-CG2 4.41Å |
| 171 | R | 85.3 | Confident | 82.9 | Confident | 120 Ų | 120 | 38.3 Ų | 38.3 | 45% | 0.453 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66.6 | -39.3 | -179.4 | -70 | -73.3 | -175 | 177.3 | 1.8 | 112.4 | W162 V167 L168 L174 G175 | W162-R171 HydrophobicContact CD2-CB 4.02Å; W162-R171 HydrophobicContact CD2-CG 4.38Å; W162-R171 HydrophobicContact CE3-CB 3.5Å; W162-R171 HydrophobicContact CE3-CG 4.31Å; W162-R171 HydrophobicContact CH2-CB 3.81Å; W162-R171 HydrophobicContact CZ2-CB 4.29Å; W162-R171 HydrophobicContact CZ3-CB 3.4Å; V167-R171 HydrophobicContact CG1-CG 4.15Å; V167-R171 VanDerWaalsContact O-CB 3.31Å; V167-R171 WeakPolarHBondContact O-CB 3.44Å; V167-R171 WeakPolarHBondContact O-CG 3.31Å; V167-R171 PolarHBondContact O-N 3.02Å; L168-R171 PolarHBondContact O-N 2.95Å; R171-L174 PolarHBondContact O-N 3.4Å; R171-G175 PolarHBondContact O-N 3.48Å |
| 172 | C | 87.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.1 | -45.7 | 174.1 | -76 | 0 | 0 | 0 | 0 | 111.4 | M126 L168 L169 L174 G175 V176 C227 F231 | M126-C172 HydrophobicContact CE-CB 3.79Å; L168-C172 WeakPolarHBondContact O-CB 3.23Å; L168-C172 PolarHBondContact O-N 3.08Å; L168-C172 PolarHBondContact O-SG 2.88Å; L169-C172 PolarHBondContact O-N 3.18Å; C172-L174 PolarHBondContact O-N 3.22Å; C172-G175 PolarHBondContact O-N 2.98Å; C172-V176 PolarHBondContact O-N 2.94Å; C172-V176 VanDerWaalsContact O-N 3.12Å; C172-C227 PolarHBondContact SG-O 3.49Å; C172-C227 VanDerWaalsContact SG-O 3.32Å; C172-F231 HydrophobicContact CB-CB 4.1Å; C172-F231 HydrophobicContact CB-CD2 4.05Å |
| 173 | K | 88.4 | Confident | 85.2 | Confident | 47 Ų | 47 | 34.9 Ų | 34.9 | 20% | 0.204 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.5 | -45 | 175.6 | -76.7 | -169.4 | 174.2 | -163.9 | 0 | 111.6 | M126 T130 L169 F170 G175 V176 L177 | M126-K173 HydrophobicContact CE-CB 4.33Å; M126-K173 HydrophobicContact CE-CG 3.58Å; M126-K173 HydrophobicContact CG-CG 4.36Å; T130-K173 WeakPolarHBondContact OG1-CE 3.14Å; L169-K173 WeakPolarHBondContact O-CB 3.39Å; L169-K173 WeakPolarHBondContact O-CG 3.31Å; L169-K173 PolarHBondContact O-N 3.33Å; F170-K173 PolarHBondContact O-N 3.4Å; K173-G175 VanDerWaalsContact C-N 3.35Å; K173-G175 PolarHBondContact O-N 2.95Å; K173-V176 PolarHBondContact O-N 2.98Å; K173-L177 WeakPolarHBondContact O-CB 3.47Å; K173-L177 PolarHBondContact O-N 3.3Å |
| 174 | L | 88.3 | Confident | 86.3 | Confident | 45 Ų | 45 | 35 Ų | 35 | 24% | 0.236 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.7 | -38.3 | 178.5 | -175.5 | 65.9 | 0 | 0 | 0 | 112.1 | F170 R171 C172 L177 Q178 Q346 V350 | F170-L174 HydrophobicContact CE1-CD2 4.01Å; F170-L174 HydrophobicContact CZ-CD2 4.44Å; F170-L174 VanDerWaalsContact O-CB 3.29Å; F170-L174 WeakPolarHBondContact O-CB 3.34Å; F170-L174 PolarHBondContact O-N 2.87Å; R171-L174 PolarHBondContact O-N 3.4Å; C172-L174 PolarHBondContact O-N 3.22Å; L174-L177 PolarHBondContact O-N 3.42Å; L174-Q178 WeakPolarHBondContact O-CB 2.9Å; L174-Q178 PolarHBondContact O-N 2.92Å; L174-Q346 HydrophobicContact CD1-CB 4.43Å; L174-V350 HydrophobicContact CD1-CG2 4.41Å; L174-V350 HydrophobicContact CD2-CG2 4.21Å |
| 175 | G | 88.4 | Confident | 87.3 | Confident | 3 Ų | 3 | 40.1 Ų | 40.1 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.3 | -39.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | R171 C172 K173 | R171-G175 PolarHBondContact O-N 3.48Å; C172-G175 PolarHBondContact O-N 2.98Å; K173-G175 VanDerWaalsContact C-N 3.35Å; K173-G175 PolarHBondContact O-N 2.95Å |
| 176 | V | 90.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -71.3 | -40.3 | 174.1 | 176.6 | 0 | 0 | 0 | 0 | 111.7 | I122 M126 C172 K173 Q178 Y179 T180 C227 L228 | I122-V176 HydrophobicContact CG2-CG1 3.81Å; M126-V176 HydrophobicContact CB-CB 4.29Å; M126-V176 HydrophobicContact CB-CG1 3.99Å; M126-V176 HydrophobicContact CB-CG2 4.25Å; M126-V176 HydrophobicContact CG-CB 4.3Å; M126-V176 HydrophobicContact CG-CG2 4.17Å; M126-V176 HydrophobicContact SD-CG2 4.41Å; C172-V176 PolarHBondContact O-N 2.94Å; C172-V176 VanDerWaalsContact O-N 3.12Å; K173-V176 PolarHBondContact O-N 2.98Å; V176-Q178 VanDerWaalsContact C-N 3.27Å; V176-Q178 PolarHBondContact O-N 3.27Å; V176-Y179 PolarHBondContact O-N 3.34Å; V176-T180 PolarHBondContact O-N 3.02Å; V176-T180 PolarHBondContact O-OG1 3.45Å; V176-C227 HydrophobicContact CG2-CB 4.49Å; V176-L228 HydrophobicContact CG2-CB 4.16Å |
| 177 | L | 89.2 | Confident | 88.2 | Confident | 10 Ų | 10 | 36.8 Ų | 36.8 | 5% | 0.052 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.1 | -36.1 | 177.8 | -172.9 | 69.1 | 0 | 0 | 0 | 111.7 | Y123 K173 L174 Y179 T180 V181 I343 Q346 | Y123-L177 HydrophobicContact CD2-CD1 3.83Å; Y123-L177 HydrophobicContact CE2-CD1 3.78Å; K173-L177 WeakPolarHBondContact O-CB 3.47Å; K173-L177 PolarHBondContact O-N 3.3Å; L174-L177 PolarHBondContact O-N 3.42Å; L177-Y179 VanDerWaalsContact C-N 3.31Å; L177-Y179 PolarHBondContact O-N 3.03Å; L177-T180 WeakPolarHBondContact O-CB 3.36Å; L177-T180 PolarHBondContact O-N 3.35Å; L177-V181 HydrophobicContact CG-CG2 4.37Å; L177-V181 PolarHBondContact O-N 3.48Å; L177-I343 HydrophobicContact CD1-CD1 4.35Å; L177-I343 HydrophobicContact CD1-CG1 3.73Å; L177-I343 HydrophobicContact CD2-CG1 3.99Å; L177-I343 HydrophobicContact CG-CG1 4.45Å; L177-Q346 HydrophobicContact CD2-CB 4.22Å; L177-Q346 HydrophobicContact CD2-CG 4.39Å |
| 178 | Q | 92.1 | Very high | 88.7 | Confident | 63 Ų | 63 | 38.8 Ų | 38.8 | 29% | 0.294 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -55.2 | -44.5 | 177.4 | 176 | -86 | -37.5 | 0 | 0 | 111.9 | L174 V176 T180 V181 V182 S220 | L174-Q178 WeakPolarHBondContact O-CB 2.9Å; L174-Q178 PolarHBondContact O-N 2.92Å; V176-Q178 VanDerWaalsContact C-N 3.27Å; V176-Q178 PolarHBondContact O-N 3.27Å; Q178-T180 PolarHBondContact O-N 3.09Å; Q178-V181 PolarHBondContact O-N 3.49Å; Q178-V182 HydrophobicContact CG-CG2 4.41Å; Q178-V182 WeakPolarHBondContact O-CB 3.41Å; Q178-V182 VanDerWaalsContact O-CG2 3.3Å; Q178-V182 WeakPolarHBondContact O-CG2 3.42Å; Q178-V182 PolarHBondContact O-N 3.45Å; Q178-S220 PolarHBondContact NE2-OG 2.91Å; Q178-S220 PolarHBondContact OE1-OG 2.86Å |
| 179 | Y | 91.1 | Very high | 89 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.9 | -40.8 | 175.4 | 174.9 | -121.3 | 0 | 0 | 0 | 112.6 | A119 I122 V176 L177 V181 V182 R183 S220 Q221 A224 | A119-Y179 HydrophobicContact CB-CD1 3.63Å; A119-Y179 HydrophobicContact CB-CE1 3.35Å; A119-Y179 HydrophobicContact CB-CG 4.38Å; I122-Y179 HydrophobicContact CD1-CD1 4.14Å; I122-Y179 HydrophobicContact CD1-CE1 3.81Å; V176-Y179 PolarHBondContact O-N 3.34Å; L177-Y179 VanDerWaalsContact C-N 3.31Å; L177-Y179 PolarHBondContact O-N 3.03Å; Y179-V181 PolarHBondContact O-N 2.98Å; Y179-V182 PolarHBondContact O-N 2.98Å; Y179-R183 HydrophobicContact CE2-CB 4.3Å; Y179-R183 WeakPolarHBondContact O-CB 3.38Å; Y179-R183 PolarHBondContact O-N 3.39Å; Y179-S220 WeakPolarHBondContact CA-OG 3.31Å; Y179-Q221 HydrophobicContact CD2-CB 3.99Å; Y179-Q221 HydrophobicContact CE1-CB 4.48Å; Y179-Q221 HydrophobicContact CE1-CG 4.12Å; Y179-Q221 HydrophobicContact CE2-CB 3.58Å; Y179-Q221 HydrophobicContact CE2-CG 4.03Å; Y179-A224 VanDerWaalsContact CB-CB 3.48Å; Y179-A224 HydrophobicContact CD1-CB 4.39Å; Y179-A224 HydrophobicContact CG-CB 4.15Å |
| 180 | T | 89.8 | Confident | 89.1 | Confident | 24 Ų | 24 | 40.4 Ų | 40.4 | 15% | 0.147 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.6 | -30.3 | 179.7 | -50 | 0 | 0 | 0 | 0 | 112.8 | A119 Y123 V176 L177 Q178 P184 | A119-T180 PolarHBondContact O-OG1 2.88Å; Y123-T180 WeakPolarHBondContact CB-OG1 3.46Å; V176-T180 PolarHBondContact O-N 3.02Å; V176-T180 PolarHBondContact O-OG1 3.45Å; L177-T180 WeakPolarHBondContact O-CB 3.36Å; L177-T180 PolarHBondContact O-N 3.35Å; Q178-T180 PolarHBondContact O-N 3.09Å; T180-P184 WeakPolarHBondContact O-CD 3.49Å; T180-P184 WeakPolarHBondContact O-CG 3.3Å |
| 181 | V | 90.1 | Very high | 89.2 | Confident | 83 Ų | 83 | 42 Ų | 42 | 50% | 0.503 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -86.6 | -41.5 | 175.9 | 176.6 | 0 | 0 | 0 | 0 | 111.6 | L177 Q178 Y179 R183 P184 F185 | L177-V181 HydrophobicContact CG-CG2 4.37Å; L177-V181 PolarHBondContact O-N 3.48Å; Q178-V181 PolarHBondContact O-N 3.49Å; Y179-V181 PolarHBondContact O-N 2.98Å; V181-R183 VanDerWaalsContact C-N 3.3Å; V181-R183 PolarHBondContact O-N 3.46Å; V181-P184 WeakPolarHBondContact O-CD 3.46Å; V181-F185 WeakPolarHBondContact O-CB 3.48Å; V181-F185 PolarHBondContact O-N 3.35Å |
| 182 | V | 91.2 | Very high | 89.3 | Confident | 32 Ų | 32 | 40.7 Ų | 40.7 | 19% | 0.194 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.5 | -37.6 | -179.8 | 166.2 | 0 | 0 | 0 | 0 | 111.2 | Q178 Y179 F185 T186 I216 | Q178-V182 HydrophobicContact CG-CG2 4.41Å; Q178-V182 WeakPolarHBondContact O-CB 3.41Å; Q178-V182 VanDerWaalsContact O-CG2 3.3Å; Q178-V182 WeakPolarHBondContact O-CG2 3.42Å; Q178-V182 PolarHBondContact O-N 3.45Å; Y179-V182 PolarHBondContact O-N 2.98Å; V182-F185 WeakPolarHBondContact O-CB 3.49Å; V182-F185 PolarHBondContact O-N 3.42Å; V182-T186 HydrophobicContact CG1-CG2 3.82Å; V182-T186 VanDerWaalsContact O-CG2 3.3Å; V182-T186 WeakPolarHBondContact O-CG2 3.49Å; V182-T186 PolarHBondContact O-N 3.01Å; V182-T186 PolarHBondContact O-OG1 3.11Å; V182-I216 HydrophobicContact CG1-CG2 4.09Å |
| 183 | R | 89.4 | Confident | 89.2 | Confident | 16 Ų | 16 | 41.7 Ų | 41.7 | 6% | 0.06 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.1 | -56.8 | -175.9 | -172.4 | 62.1 | 139.2 | 158.4 | -4 | 112.9 | E115 A119 Y179 V181 F185 T186 T187 N217 | E115-R183 VanDerWaalsContact CB-NH2 3.32Å; E115-R183 IonicContact OE1-CZ 3.59Å; E115-R183 IonicContact OE1-NH1 3.57Å; E115-R183 IonicContact OE1-NH2 2.72Å; E115-R183 PolarHBondContact OE1-NH2 2.96Å; E115-R183 IonicContact OE2-CZ 3.04Å; E115-R183 IonicContact OE2-NE 3.93Å; E115-R183 IonicContact OE2-NH1 2.78Å; E115-R183 PolarHBondContact OE2-NH1 3.21Å; E115-R183 IonicContact OE2-NH2 2.71Å; E115-R183 PolarHBondContact OE2-NH2 3.36Å; A119-R183 HydrophobicContact CB-CB 3.92Å; A119-R183 HydrophobicContact CB-CG 4.17Å; Y179-R183 HydrophobicContact CE2-CB 4.3Å; Y179-R183 WeakPolarHBondContact O-CB 3.38Å; Y179-R183 PolarHBondContact O-N 3.39Å; V181-R183 VanDerWaalsContact C-N 3.3Å; V181-R183 PolarHBondContact O-N 3.46Å; R183-F185 VanDerWaalsContact C-N 3.25Å; R183-F185 PolarHBondContact O-N 3.28Å; R183-T186 PolarHBondContact O-N 3.12Å; R183-T186 VanDerWaalsContact O-N 3.16Å; R183-T186 PolarHBondContact O-OG1 3.4Å; R183-T187 PolarHBondContact O-N 3.28Å; R183-T187 PolarHBondContact O-OG1 2.97Å; R183-N217 PolarHBondContact NH1-ND2 3.46Å |
| 184 | P | 90.5 | Very high | 88.9 | Confident | 53 Ų | 53 | 44 Ų | 44 | 34% | 0.344 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57.7 | -35.9 | 173.7 | -24.1 | 33.8 | 0 | 0 | 0 | 113.5 | T180 V181 T187 I188 | T180-P184 WeakPolarHBondContact O-CD 3.49Å; T180-P184 WeakPolarHBondContact O-CG 3.3Å; V181-P184 WeakPolarHBondContact O-CD 3.46Å; P184-T187 WeakPolarHBondContact O-CB 3.43Å; P184-T187 PolarHBondContact O-N 3.46Å; P184-I188 WeakPolarHBondContact O-CG1 3.29Å; P184-I188 PolarHBondContact O-N 3.45Å |
| 185 | F | 91.4 | Very high | 88.7 | Confident | 134 Ų | 134 | 49.1 Ų | 49.1 | 59% | 0.588 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -63.1 | -48.7 | 176.3 | 177.7 | -98.2 | 0 | 0 | 0 | 111.5 | V181 V182 R183 T187 I188 V189 | V181-F185 WeakPolarHBondContact O-CB 3.48Å; V181-F185 PolarHBondContact O-N 3.35Å; V182-F185 WeakPolarHBondContact O-CB 3.49Å; V182-F185 PolarHBondContact O-N 3.42Å; R183-F185 VanDerWaalsContact C-N 3.25Å; R183-F185 PolarHBondContact O-N 3.28Å; F185-T187 VanDerWaalsContact C-N 3.26Å; F185-T187 PolarHBondContact O-N 3.4Å; F185-I188 PolarHBondContact O-N 3.42Å; F185-V189 HydrophobicContact CD1-CG2 4.29Å; F185-V189 HydrophobicContact CE1-CG2 3.87Å; F185-V189 HydrophobicContact CE2-CG2 4.41Å; F185-V189 HydrophobicContact CZ-CG2 3.94Å; F185-V189 WeakPolarHBondContact O-CG2 3.32Å; F185-V189 PolarHBondContact O-N 2.89Å |
| 186 | T | 89.7 | Confident | 88.6 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.7 | -32.5 | 176.5 | 61.4 | 0 | 0 | 0 | 0 | 112.4 | V182 R183 V189 A190 L213 I216 N217 | V182-T186 HydrophobicContact CG1-CG2 3.82Å; V182-T186 VanDerWaalsContact O-CG2 3.3Å; V182-T186 WeakPolarHBondContact O-CG2 3.49Å; V182-T186 PolarHBondContact O-N 3.01Å; V182-T186 PolarHBondContact O-OG1 3.11Å; R183-T186 PolarHBondContact O-N 3.12Å; R183-T186 VanDerWaalsContact O-N 3.16Å; R183-T186 PolarHBondContact O-OG1 3.4Å; T186-V189 PolarHBondContact O-N 3.48Å; T186-A190 WeakPolarHBondContact O-CB 3.33Å; T186-A190 PolarHBondContact O-N 3.42Å; T186-L213 HydrophobicContact CG2-CD2 4.18Å; T186-I216 HydrophobicContact CG2-CG2 4.1Å; T186-N217 WeakPolarHBondContact CG2-OD1 3.36Å; T186-N217 PolarHBondContact OG1-ND2 3.39Å; T186-N217 PolarHBondContact OG1-OD1 3.42Å |
| 187 | T | 88.4 | Confident | 88.1 | Confident | 18 Ų | 18 | 57.5 Ų | 57.5 | 11% | 0.11 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 171.9 | -69.9 | 0 | 0 | 0 | 0 | 111.9 | T112 C116 R183 P184 F185 V189 A190 L191 | T112-T187 HydrophobicContact CG2-CG2 3.17Å; C116-T187 PolarHBondContact SG-OG1 3.35Å; R183-T187 PolarHBondContact O-N 3.28Å; R183-T187 PolarHBondContact O-OG1 2.97Å; P184-T187 WeakPolarHBondContact O-CB 3.43Å; P184-T187 PolarHBondContact O-N 3.46Å; F185-T187 VanDerWaalsContact C-N 3.26Å; F185-T187 PolarHBondContact O-N 3.4Å; T187-V189 VanDerWaalsContact C-N 3.31Å; T187-V189 PolarHBondContact O-N 3.3Å; T187-A190 WeakPolarHBondContact O-CB 3.34Å; T187-A190 PolarHBondContact O-N 2.91Å; T187-L191 HydrophobicContact CG2-CD1 4.45Å; T187-L191 WeakPolarHBondContact O-CG 3.35Å; T187-L191 PolarHBondContact O-N 2.91Å |
| 188 | I | 89.6 | Confident | 87.7 | Confident | 98 Ų | 98 | 61.5 Ų | 61.5 | 50% | 0.503 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 176.8 | -67.1 | 162.9 | 0 | 0 | 0 | 110.2 | P184 F185 A190 L191 I192 | P184-I188 WeakPolarHBondContact O-CG1 3.29Å; P184-I188 PolarHBondContact O-N 3.45Å; F185-I188 PolarHBondContact O-N 3.42Å; I188-A190 VanDerWaalsContact C-N 3.34Å; I188-L191 PolarHBondContact O-N 3.44Å; I188-I192 HydrophobicContact CG2-CD1 3.96Å; I188-I192 VanDerWaalsContact O-CG1 3.32Å; I188-I192 WeakPolarHBondContact O-CG1 3.38Å; I188-I192 PolarHBondContact O-N 3.25Å |
| 189 | V | 89.4 | Confident | 86.8 | Confident | 43 Ų | 43 | 60.5 Ų | 60.5 | 26% | 0.261 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 175.1 | 176.4 | 0 | 0 | 0 | 0 | 111 | F185 T186 T187 L191 I192 C193 L213 | F185-V189 HydrophobicContact CD1-CG2 4.29Å; F185-V189 HydrophobicContact CE1-CG2 3.87Å; F185-V189 HydrophobicContact CE2-CG2 4.41Å; F185-V189 HydrophobicContact CZ-CG2 3.94Å; F185-V189 WeakPolarHBondContact O-CG2 3.32Å; F185-V189 PolarHBondContact O-N 2.89Å; T186-V189 PolarHBondContact O-N 3.48Å; T187-V189 VanDerWaalsContact C-N 3.31Å; T187-V189 PolarHBondContact O-N 3.3Å; V189-L191 PolarHBondContact O-N 3.41Å; V189-I192 PolarHBondContact O-N 3Å; V189-C193 WeakPolarHBondContact O-CB 3.46Å; V189-C193 PolarHBondContact O-N 3.47Å; V189-C193 PolarHBondContact O-SG 2.92Å; V189-L213 HydrophobicContact CB-CD2 4.17Å; V189-L213 HydrophobicContact CG1-CD1 4.46Å; V189-L213 HydrophobicContact CG1-CD2 3.89Å |
| 190 | A | 86.2 | Confident | 85.7 | Confident | 15 Ų | 15 | 64.6 Ų | 64.6 | 12% | 0.124 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.3 | -49.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | T186 T187 I188 I192 C193 E194 Y199 L213 | T186-A190 WeakPolarHBondContact O-CB 3.33Å; T186-A190 PolarHBondContact O-N 3.42Å; T187-A190 WeakPolarHBondContact O-CB 3.34Å; T187-A190 PolarHBondContact O-N 2.91Å; I188-A190 VanDerWaalsContact C-N 3.34Å; A190-I192 VanDerWaalsContact C-N 3.33Å; A190-I192 PolarHBondContact O-N 3.49Å; A190-C193 PolarHBondContact O-N 2.86Å; A190-E194 WeakPolarHBondContact O-CB 3.09Å; A190-E194 PolarHBondContact O-N 2.93Å; A190-Y199 HydrophobicContact CB-CD2 4.39Å; A190-Y199 HydrophobicContact CB-CE2 3.68Å; A190-L213 HydrophobicContact CB-CD1 3.81Å |
| 191 | L | 85.8 | Confident | 84.6 | Confident | 74 Ų | 74 | 68.9 Ų | 68.9 | 39% | 0.387 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 177.9 | -69 | 174.6 | 0 | 0 | 0 | 112.5 | Y109 T187 I188 V189 E194 L195 | Y109-L191 HydrophobicContact CE1-CD2 4.22Å; T187-L191 HydrophobicContact CG2-CD1 4.45Å; T187-L191 WeakPolarHBondContact O-CG 3.35Å; T187-L191 PolarHBondContact O-N 2.91Å; I188-L191 PolarHBondContact O-N 3.44Å; V189-L191 PolarHBondContact O-N 3.41Å; L191-E194 PolarHBondContact O-N 3.37Å; L191-L195 VanDerWaalsContact O-CG 3.31Å; L191-L195 WeakPolarHBondContact O-CG 3.45Å; L191-L195 PolarHBondContact O-N 3.43Å |
| 192 | I | 88 | Confident | 83.4 | Confident | 91 Ų | 91 | 67.2 Ų | 67.2 | 47% | 0.467 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.1 | -42.8 | 175.6 | -67 | 165.8 | 0 | 0 | 0 | 110.6 | I188 V189 A190 E194 L195 L196 | I188-I192 HydrophobicContact CG2-CD1 3.96Å; I188-I192 VanDerWaalsContact O-CG1 3.32Å; I188-I192 WeakPolarHBondContact O-CG1 3.38Å; I188-I192 PolarHBondContact O-N 3.25Å; V189-I192 PolarHBondContact O-N 3Å; A190-I192 VanDerWaalsContact C-N 3.33Å; A190-I192 PolarHBondContact O-N 3.49Å; I192-E194 VanDerWaalsContact C-N 3.31Å; I192-E194 PolarHBondContact O-N 3.44Å; I192-L195 PolarHBondContact O-N 2.82Å; I192-L196 HydrophobicContact CG2-CD1 4.06Å; I192-L196 VanDerWaalsContact O-CG 3.3Å; I192-L196 WeakPolarHBondContact O-CG 3.18Å; I192-L196 PolarHBondContact O-N 3.39Å; I192-L196 VanDerWaalsContact O-N 3.12Å |
| 193 | C | 85.2 | Confident | 82.3 | Confident | 22 Ų | 22 | 70 Ų | 70 | 15% | 0.149 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64 | -36.3 | 177.1 | -70.7 | 0 | 0 | 0 | 0 | 112.5 | V189 A190 L196 G197 I198 Y199 A209 | V189-C193 WeakPolarHBondContact O-CB 3.46Å; V189-C193 PolarHBondContact O-N 3.47Å; V189-C193 PolarHBondContact O-SG 2.92Å; A190-C193 PolarHBondContact O-N 2.86Å; C193-L196 PolarHBondContact O-N 3.24Å; C193-G197 PolarHBondContact O-N 2.94Å; C193-I198 PolarHBondContact O-N 3.16Å; C193-I198 VanDerWaalsContact O-N 3.09Å; C193-Y199 HydrophobicContact CB-CD2 4.15Å; C193-Y199 PolarHBondContact O-N 3.48Å; C193-A209 HydrophobicContact CB-CB 4.03Å |
| 194 | E | 83.1 | Confident | 81.2 | Confident | 94 Ų | 94 | 76.2 Ų | 76.2 | 44% | 0.439 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.5 | -48 | 173.8 | -177.4 | 65.6 | -166.2 | 0 | 0 | 110.9 | A190 L191 I192 L196 G197 Y199 | A190-E194 WeakPolarHBondContact O-CB 3.09Å; A190-E194 PolarHBondContact O-N 2.93Å; L191-E194 PolarHBondContact O-N 3.37Å; I192-E194 VanDerWaalsContact C-N 3.31Å; I192-E194 PolarHBondContact O-N 3.44Å; E194-L196 PolarHBondContact O-N 3.25Å; E194-G197 PolarHBondContact O-N 2.91Å; E194-Y199 HydrophobicContact CB-CG 4.46Å; E194-Y199 WeakPolarHBondContact OE2-CB 3.26Å; E194-Y199 WeakPolarHBondContact OE2-CD1 3.47Å |
| 195 | L | 84.6 | Confident | 80.3 | Confident | 153 Ų | 153 | 75.8 Ų | 75.8 | 80% | 0.801 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -62.4 | -26.7 | 176.9 | -69.3 | 174.5 | 0 | 0 | 0 | 113.4 | L191 I192 | L191-L195 VanDerWaalsContact O-CG 3.31Å; L191-L195 WeakPolarHBondContact O-CG 3.45Å; L191-L195 PolarHBondContact O-N 3.43Å; I192-L195 PolarHBondContact O-N 2.82Å |
| 196 | L | 85.8 | Confident | 79.3 | Confident | 116 Ų | 116 | 77.6 Ų | 77.6 | 61% | 0.607 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -6.8 | 176.2 | -66.1 | 172.9 | 0 | 0 | 0 | 113.2 | I192 C193 E194 I198 | I192-L196 HydrophobicContact CG2-CD1 4.06Å; I192-L196 VanDerWaalsContact O-CG 3.3Å; I192-L196 WeakPolarHBondContact O-CG 3.18Å; I192-L196 PolarHBondContact O-N 3.39Å; I192-L196 VanDerWaalsContact O-N 3.12Å; C193-L196 PolarHBondContact O-N 3.24Å; E194-L196 PolarHBondContact O-N 3.25Å; L196-I198 VanDerWaalsContact C-N 3.32Å; L196-I198 HydrophobicContact CB-CD1 4.02Å; L196-I198 HydrophobicContact CB-CG1 4.27Å; L196-I198 PolarHBondContact O-N 3.42Å |
| 197 | G | 79.8 | Confident | 78.4 | Confident | 63 Ų | 63 | 82 Ų | 82 | 65% | 0.649 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 23.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | C193 E194 | C193-G197 PolarHBondContact O-N 2.94Å; E194-G197 PolarHBondContact O-N 2.91Å |
| 198 | I | 81.1 | Confident | 77.9 | Confident | 94 Ų | 94 | 81.9 Ų | 81.9 | 48% | 0.482 | 45% | 0.451 | S | S | . | . | trans | -105.5 | -1.8 | 179.2 | -51.5 | 163.9 | 0 | 0 | 0 | 110.8 | C193 L196 D200 | C193-I198 PolarHBondContact O-N 3.16Å; C193-I198 VanDerWaalsContact O-N 3.09Å; L196-I198 VanDerWaalsContact C-N 3.32Å; L196-I198 HydrophobicContact CB-CD1 4.02Å; L196-I198 HydrophobicContact CB-CG1 4.27Å; L196-I198 PolarHBondContact O-N 3.42Å; I198-D200 PolarHBondContact O-N 2.88Å | ||
| 199 | Y | 72.7 | Confident | 77.6 | Confident | 43 Ų | 43 | 78.2 Ų | 78.2 | 17% | 0.169 | 44% | 0.435 | C | S | . | . | trans | -92.3 | 89.8 | 178.9 | -168.3 | -91.4 | 0 | 0 | 0 | 109.7 | A190 C193 E194 E201 W210 L213 | A190-Y199 HydrophobicContact CB-CD2 4.39Å; A190-Y199 HydrophobicContact CB-CE2 3.68Å; C193-Y199 HydrophobicContact CB-CD2 4.15Å; C193-Y199 PolarHBondContact O-N 3.48Å; E194-Y199 HydrophobicContact CB-CG 4.46Å; E194-Y199 WeakPolarHBondContact OE2-CB 3.26Å; E194-Y199 WeakPolarHBondContact OE2-CD1 3.47Å; Y199-E201 HydrophobicContact CD1-CB 4.46Å; Y199-E201 HydrophobicContact CE1-CB 4.16Å; Y199-W210 HydrophobicContact CD2-CB 4.32Å; Y199-W210 AromaticContact CE1-CD1 3.76Å; Y199-W210 HydrophobicContact CE2-CB 4.23Å; Y199-W210 AromaticContact CE2-CD1 3.78Å; Y199-W210 HydrophobicContact CE2-CG 4.42Å; Y199-W210 AromaticContact CZ-CD1 3.38Å; Y199-W210 VanDerWaalsContact OH-CD1 3.32Å; Y199-L213 HydrophobicContact CD2-CD1 4.42Å; Y199-L213 HydrophobicContact CE2-CD1 4.04Å | ||
| 200 | D | 68.9 | Low | 77.2 | Confident | 85 Ų | 85 | 77.8 Ų | 77.8 | 46% | 0.455 | 43% | 0.429 | S | S | . | . | trans | -90.7 | 99.4 | 171.3 | -71.9 | -43.8 | 0 | 0 | 0 | 109.6 | I198 N203 | I198-D200 PolarHBondContact O-N 2.88Å; D200-N203 HydrophobicContact CB-CB 4.26Å | ||
| 201 | E | 65.9 | Low | 77.1 | Confident | 114 Ų | 114 | 77.8 Ų | 77.8 | 53% | 0.533 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 136 | 179.3 | -169.6 | 164.3 | -150.9 | 0 | 0 | 111.8 | Y199 N203 | Y199-E201 HydrophobicContact CD1-CB 4.46Å; Y199-E201 HydrophobicContact CE1-CB 4.16Å; E201-N203 PolarHBondContact O-N 2.98Å; E201-N203 VanDerWaalsContact O-N 3.17Å |
| 202 | G | 64 | Low | 77.2 | Confident | 48 Ų | 48 | 79.8 Ų | 79.8 | 50% | 0.495 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | -7.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 203 | N | 68.4 | Low | 77.1 | Confident | 90 Ų | 90 | 76.3 Ų | 76.3 | 48% | 0.481 | 41% | 0.413 | S | S | . | . | trans | -93.2 | 105.7 | 177.1 | -168.2 | -9.3 | 0 | 0 | 0 | 111.6 | D200 E201 S205 N208 T211 | D200-N203 HydrophobicContact CB-CB 4.26Å; E201-N203 PolarHBondContact O-N 2.98Å; E201-N203 VanDerWaalsContact O-N 3.17Å; N203-S205 VanDerWaalsContact C-N 3.27Å; N203-S205 PolarHBondContact O-N 3.34Å; N203-N208 PolarHBondContact O-ND2 3.36Å; N203-N208 VanDerWaalsContact O-ND2 3.16Å; N203-T211 PolarHBondContact O-OG1 3.42Å | ||
| 204 | F | 66.1 | Low | 77 | Confident | 148 Ų | 148 | 77.4 Ų | 77.4 | 65% | 0.649 | 42% | 0.419 | S | S | * | . | trans | -73.8 | 75.6 | 176.1 | -68.8 | -84 | 0 | 0 | 0 | 111.6 | W210 | F204-W210 HydrophobicContact CD1-CZ3 4.04Å; F204-W210 HydrophobicContact CD2-CZ3 4.49Å; F204-W210 HydrophobicContact CE1-CH2 4.16Å; F204-W210 AromaticContact CE1-CZ3 3.79Å; F204-W210 HydrophobicContact CE1-CZ3 3.79Å; F204-W210 HydrophobicContact CE2-CH2 4.33Å; F204-W210 HydrophobicContact CE2-CZ3 4.26Å; F204-W210 HydrophobicContact CG-CZ3 4.39Å; F204-W210 AromaticContact CZ-CH2 3.9Å; F204-W210 HydrophobicContact CZ-CH2 3.9Å; F204-W210 AromaticContact CZ-CZ3 3.91Å; F204-W210 HydrophobicContact CZ-CZ3 3.91Å | ||
| 205 | S | 72 | Confident | 77.2 | Confident | 43 Ų | 43 | 77.1 Ų | 77.1 | 30% | 0.301 | 42% | 0.42 | S | S | . | . | trans | -114.9 | 144.4 | 169.1 | -178 | 0 | 0 | 0 | 0 | 110.8 | N203 S207 N208 T211 | N203-S205 VanDerWaalsContact C-N 3.27Å; N203-S205 PolarHBondContact O-N 3.34Å; S205-S207 PolarHBondContact O-N 2.95Å; S205-S207 PolarHBondContact OG-N 3Å; S205-N208 PolarHBondContact O-N 3.29Å; S205-T211 WeakPolarHBondContact O-CB 3.46Å; S205-T211 PolarHBondContact O-OG1 3.35Å | ||
| 206 | F | 70.4 | Confident | 77.5 | Confident | 172 Ų | 172 | 74 Ų | 74 | 75% | 0.754 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -9 | 172.8 | -70.8 | -76.9 | 0 | 0 | 0 | 113.1 | Y212 | F206-Y212 WeakPolarHBondContact O-CE2 3.4Å; F206-Y212 VanDerWaalsContact O-CZ 3.28Å; F206-Y212 PolarHBondContact O-OH 3.15Å |
| 207 | S | 71.7 | Confident | 77.7 | Confident | 99 Ų | 99 | 69 Ų | 69 | 69% | 0.692 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -12 | 174.8 | -163.3 | 0 | 0 | 0 | 0 | 113.3 | S205 | S205-S207 PolarHBondContact O-N 2.95Å; S205-S207 PolarHBondContact OG-N 3Å |
| 208 | N | 78.1 | Confident | 78.1 | Confident | 15 Ų | 15 | 68.7 Ų | 68.7 | 8% | 0.08 | 36% | 0.36 | C | S | . | . | trans | -95.4 | 134.6 | -169 | -64.4 | -0.5 | 0 | 0 | 0 | 111.2 | N203 S205 W210 T211 Y212 | N203-N208 PolarHBondContact O-ND2 3.36Å; N203-N208 VanDerWaalsContact O-ND2 3.16Å; S205-N208 PolarHBondContact O-N 3.29Å; N208-W210 VanDerWaalsContact C-N 3.25Å; N208-W210 PolarHBondContact O-N 2.9Å; N208-T211 PolarHBondContact O-N 3.25Å; N208-Y212 VanDerWaalsContact O-CD2 3.29Å; N208-Y212 WeakPolarHBondContact O-CD2 3.41Å | ||
| 209 | A | 82.1 | Confident | 78.5 | Confident | 20 Ų | 20 | 69.9 Ų | 69.9 | 17% | 0.165 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.2 | -35.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | C193 T211 Y212 L213 | C193-A209 HydrophobicContact CB-CB 4.03Å; A209-T211 PolarHBondContact O-N 3.27Å; A209-Y212 PolarHBondContact O-N 3.18Å; A209-L213 WeakPolarHBondContact O-CG 3.5Å; A209-L213 PolarHBondContact O-N 3.39Å; A209-L213 VanDerWaalsContact O-N 3.08Å |
| 210 | W | 82.3 | Confident | 79.4 | Confident | 35 Ų | 35 | 68.2 Ų | 68.2 | 13% | 0.133 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -53.7 | -50.1 | 178 | -176.8 | 90.6 | 0 | 0 | 0 | 112.6 | Y199 F204 N208 Y212 L213 V214 | Y199-W210 HydrophobicContact CD2-CB 4.32Å; Y199-W210 AromaticContact CE1-CD1 3.76Å; Y199-W210 HydrophobicContact CE2-CB 4.23Å; Y199-W210 AromaticContact CE2-CD1 3.78Å; Y199-W210 HydrophobicContact CE2-CG 4.42Å; Y199-W210 AromaticContact CZ-CD1 3.38Å; Y199-W210 VanDerWaalsContact OH-CD1 3.32Å; F204-W210 HydrophobicContact CD1-CZ3 4.04Å; F204-W210 HydrophobicContact CD2-CZ3 4.49Å; F204-W210 HydrophobicContact CE1-CH2 4.16Å; F204-W210 AromaticContact CE1-CZ3 3.79Å; F204-W210 HydrophobicContact CE1-CZ3 3.79Å; F204-W210 HydrophobicContact CE2-CH2 4.33Å; F204-W210 HydrophobicContact CE2-CZ3 4.26Å; F204-W210 HydrophobicContact CG-CZ3 4.39Å; F204-W210 AromaticContact CZ-CH2 3.9Å; F204-W210 HydrophobicContact CZ-CH2 3.9Å; F204-W210 AromaticContact CZ-CZ3 3.91Å; F204-W210 HydrophobicContact CZ-CZ3 3.91Å; N208-W210 VanDerWaalsContact C-N 3.25Å; N208-W210 PolarHBondContact O-N 2.9Å; W210-Y212 VanDerWaalsContact C-N 3.34Å; W210-Y212 PolarHBondContact O-N 3.32Å; W210-L213 PolarHBondContact O-N 2.84Å; W210-V214 HydrophobicContact CD2-CG2 3.9Å; W210-V214 HydrophobicContact CE3-CG2 4.24Å; W210-V214 HydrophobicContact CG-CG2 4.47Å; W210-V214 HydrophobicContact CH2-CG2 4.16Å; W210-V214 HydrophobicContact CZ2-CG2 3.82Å; W210-V214 HydrophobicContact CZ3-CG2 4.36Å; W210-V214 WeakPolarHBondContact O-CG2 3.47Å; W210-V214 PolarHBondContact O-N 3.36Å |
| 211 | T | 83.3 | Confident | 80.4 | Confident | 15 Ų | 15 | 65.5 Ų | 65.5 | 9% | 0.092 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.8 | -44.5 | -179.1 | -51.1 | 0 | 0 | 0 | 0 | 112 | N203 S205 N208 A209 V214 I215 | N203-T211 PolarHBondContact O-OG1 3.42Å; S205-T211 WeakPolarHBondContact O-CB 3.46Å; S205-T211 PolarHBondContact O-OG1 3.35Å; N208-T211 PolarHBondContact O-N 3.25Å; A209-T211 PolarHBondContact O-N 3.27Å; T211-V214 PolarHBondContact O-N 2.6Å; T211-I215 HydrophobicContact CG2-CD1 3.98Å; T211-I215 VanDerWaalsContact O-CG1 3.28Å; T211-I215 WeakPolarHBondContact O-CG1 3.45Å; T211-I215 PolarHBondContact O-N 3.21Å |
| 212 | Y | 87.1 | Confident | 81.4 | Confident | 116 Ų | 116 | 65.5 Ų | 65.5 | 46% | 0.455 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.1 | -42.2 | 178.7 | -69.3 | -75.8 | 0 | 0 | 0 | 112.1 | F206 N208 A209 W210 V214 I215 I216 | F206-Y212 WeakPolarHBondContact O-CE2 3.4Å; F206-Y212 VanDerWaalsContact O-CZ 3.28Å; F206-Y212 PolarHBondContact O-OH 3.15Å; N208-Y212 VanDerWaalsContact O-CD2 3.29Å; N208-Y212 WeakPolarHBondContact O-CD2 3.41Å; A209-Y212 PolarHBondContact O-N 3.18Å; W210-Y212 VanDerWaalsContact C-N 3.34Å; W210-Y212 PolarHBondContact O-N 3.32Å; Y212-V214 VanDerWaalsContact C-N 3.35Å; Y212-I215 PolarHBondContact O-N 3.41Å; Y212-I216 WeakPolarHBondContact O-CB 3.1Å; Y212-I216 VanDerWaalsContact O-CG1 3.25Å; Y212-I216 WeakPolarHBondContact O-CG1 3.46Å; Y212-I216 PolarHBondContact O-N 3.49Å |
| 213 | L | 86.4 | Confident | 82.7 | Confident | 18 Ų | 18 | 67.1 Ų | 67.1 | 9% | 0.094 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63 | -42.8 | 177.9 | -68.1 | 171 | 0 | 0 | 0 | 111.3 | T186 V189 A190 Y199 A209 W210 I216 N217 | T186-L213 HydrophobicContact CG2-CD2 4.18Å; V189-L213 HydrophobicContact CB-CD2 4.17Å; V189-L213 HydrophobicContact CG1-CD1 4.46Å; V189-L213 HydrophobicContact CG1-CD2 3.89Å; A190-L213 HydrophobicContact CB-CD1 3.81Å; Y199-L213 HydrophobicContact CD2-CD1 4.42Å; Y199-L213 HydrophobicContact CE2-CD1 4.04Å; A209-L213 WeakPolarHBondContact O-CG 3.5Å; A209-L213 PolarHBondContact O-N 3.39Å; A209-L213 VanDerWaalsContact O-N 3.08Å; W210-L213 PolarHBondContact O-N 2.84Å; L213-I216 PolarHBondContact O-N 3.3Å; L213-N217 VanDerWaalsContact O-CB 3.25Å; L213-N217 WeakPolarHBondContact O-CB 3.35Å; L213-N217 VanDerWaalsContact O-CG 3.3Å; L213-N217 PolarHBondContact O-N 2.94Å; L213-N217 PolarHBondContact O-ND2 2.88Å |
| 214 | V | 83.9 | Confident | 83.7 | Confident | 44 Ų | 44 | 62.8 Ų | 62.8 | 27% | 0.267 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.1 | -47.1 | 174.9 | 171.8 | 0 | 0 | 0 | 0 | 111 | W210 T211 Y212 N217 N218 | W210-V214 HydrophobicContact CD2-CG2 3.9Å; W210-V214 HydrophobicContact CE3-CG2 4.24Å; W210-V214 HydrophobicContact CG-CG2 4.47Å; W210-V214 HydrophobicContact CH2-CG2 4.16Å; W210-V214 HydrophobicContact CZ2-CG2 3.82Å; W210-V214 HydrophobicContact CZ3-CG2 4.36Å; W210-V214 WeakPolarHBondContact O-CG2 3.47Å; W210-V214 PolarHBondContact O-N 3.36Å; T211-V214 PolarHBondContact O-N 2.6Å; Y212-V214 VanDerWaalsContact C-N 3.35Å; V214-N217 PolarHBondContact O-N 2.85Å; V214-N218 WeakPolarHBondContact CG1-ND2 3.29Å; V214-N218 WeakPolarHBondContact O-CB 3.4Å; V214-N218 PolarHBondContact O-N 3.07Å; V214-N218 PolarHBondContact O-ND2 2.9Å |
| 215 | I | 87.6 | Confident | 84.6 | Confident | 89 Ų | 89 | 56.7 Ų | 56.7 | 46% | 0.456 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.3 | -47.8 | 178.9 | -69.7 | 167.6 | 0 | 0 | 0 | 111 | T211 Y212 N217 N218 M219 | T211-I215 HydrophobicContact CG2-CD1 3.98Å; T211-I215 VanDerWaalsContact O-CG1 3.28Å; T211-I215 WeakPolarHBondContact O-CG1 3.45Å; T211-I215 PolarHBondContact O-N 3.21Å; Y212-I215 PolarHBondContact O-N 3.41Å; I215-N217 VanDerWaalsContact C-N 3.32Å; I215-N217 PolarHBondContact O-N 3.24Å; I215-N218 PolarHBondContact O-N 3.35Å; I215-M219 HydrophobicContact CG2-CG 4.33Å; I215-M219 WeakPolarHBondContact O-CB 3.35Å; I215-M219 VanDerWaalsContact O-CG 3.3Å; I215-M219 WeakPolarHBondContact O-CG 3.31Å; I215-M219 PolarHBondContact O-N 3.27Å |
| 216 | I | 90.6 | Very high | 85.3 | Confident | 86 Ų | 86 | 55.8 Ų | 55.8 | 44% | 0.441 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 179 | -71.5 | 167.1 | 0 | 0 | 0 | 110.4 | V182 T186 Y212 L213 M219 S220 | V182-I216 HydrophobicContact CG1-CG2 4.09Å; T186-I216 HydrophobicContact CG2-CG2 4.1Å; Y212-I216 WeakPolarHBondContact O-CB 3.1Å; Y212-I216 VanDerWaalsContact O-CG1 3.25Å; Y212-I216 WeakPolarHBondContact O-CG1 3.46Å; Y212-I216 PolarHBondContact O-N 3.49Å; L213-I216 PolarHBondContact O-N 3.3Å; I216-M219 PolarHBondContact O-N 3.43Å; I216-S220 WeakPolarHBondContact O-CB 3.34Å; I216-S220 PolarHBondContact O-N 3.01Å |
| 217 | N | 88.8 | Confident | 86.1 | Confident | 11 Ų | 11 | 47.6 Ų | 47.6 | 6% | 0.059 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.9 | -45.3 | 179.2 | -80.6 | -32.8 | 0 | 0 | 0 | 112.4 | R183 T186 L213 V214 I215 S220 Q221 | R183-N217 PolarHBondContact NH1-ND2 3.46Å; T186-N217 WeakPolarHBondContact CG2-OD1 3.36Å; T186-N217 PolarHBondContact OG1-ND2 3.39Å; T186-N217 PolarHBondContact OG1-OD1 3.42Å; L213-N217 VanDerWaalsContact O-CB 3.25Å; L213-N217 WeakPolarHBondContact O-CB 3.35Å; L213-N217 VanDerWaalsContact O-CG 3.3Å; L213-N217 PolarHBondContact O-N 2.94Å; L213-N217 PolarHBondContact O-ND2 2.88Å; V214-N217 PolarHBondContact O-N 2.85Å; I215-N217 VanDerWaalsContact C-N 3.32Å; I215-N217 PolarHBondContact O-N 3.24Å; N217-S220 PolarHBondContact O-N 3.4Å; N217-Q221 VanDerWaalsContact O-CB 3.27Å; N217-Q221 WeakPolarHBondContact O-CB 3.4Å; N217-Q221 PolarHBondContact O-N 3.32Å |
| 218 | N | 88.8 | Confident | 86.9 | Confident | 58 Ų | 58 | 43.1 Ų | 43.1 | 31% | 0.31 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.9 | -43.8 | 177 | -82.6 | -82.5 | 0 | 0 | 0 | 111.9 | V214 I215 S220 Q221 L222 | V214-N218 WeakPolarHBondContact CG1-ND2 3.29Å; V214-N218 WeakPolarHBondContact O-CB 3.4Å; V214-N218 PolarHBondContact O-N 3.07Å; V214-N218 PolarHBondContact O-ND2 2.9Å; I215-N218 PolarHBondContact O-N 3.35Å; N218-S220 PolarHBondContact O-N 3.48Å; N218-Q221 PolarHBondContact O-N 2.92Å; N218-L222 WeakPolarHBondContact O-CB 3.26Å; N218-L222 VanDerWaalsContact O-CG 3.22Å; N218-L222 WeakPolarHBondContact O-CG 3.45Å; N218-L222 PolarHBondContact O-N 3.42Å |
| 219 | M | 89.5 | Confident | 87.2 | Confident | 119 Ų | 119 | 45.9 Ų | 45.9 | 59% | 0.586 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -63.6 | -42.8 | 177.4 | -73.2 | -59.3 | -62.1 | 0 | 0 | 112.1 | I215 I216 L222 F223 | I215-M219 HydrophobicContact CG2-CG 4.33Å; I215-M219 WeakPolarHBondContact O-CB 3.35Å; I215-M219 VanDerWaalsContact O-CG 3.3Å; I215-M219 WeakPolarHBondContact O-CG 3.31Å; I215-M219 PolarHBondContact O-N 3.27Å; I216-M219 PolarHBondContact O-N 3.43Å; M219-L222 PolarHBondContact O-N 2.97Å; M219-F223 WeakPolarHBondContact O-CB 3.26Å; M219-F223 PolarHBondContact O-N 2.98Å |
| 220 | S | 91.3 | Very high | 87.3 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 5% | 0.049 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.1 | -46.5 | 176.1 | -173.9 | 0 | 0 | 0 | 0 | 111.6 | Q178 Y179 I216 N217 N218 F223 A224 | Q178-S220 PolarHBondContact NE2-OG 2.91Å; Q178-S220 PolarHBondContact OE1-OG 2.86Å; Y179-S220 WeakPolarHBondContact CA-OG 3.31Å; I216-S220 WeakPolarHBondContact O-CB 3.34Å; I216-S220 PolarHBondContact O-N 3.01Å; N217-S220 PolarHBondContact O-N 3.4Å; N218-S220 PolarHBondContact O-N 3.48Å; S220-F223 PolarHBondContact O-N 3.16Å; S220-A224 PolarHBondContact O-N 3.36Å |
| 221 | Q | 89.9 | Confident | 87.6 | Confident | 28 Ų | 28 | 43.5 Ų | 43.5 | 13% | 0.131 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.7 | -44.3 | 176.7 | -168.7 | -174.5 | 4.5 | 0 | 0 | 111.6 | E118 Y179 N217 N218 F223 A224 M225 | E118-Q221 PolarHBondContact OE1-NE2 2.94Å; Y179-Q221 HydrophobicContact CD2-CB 3.99Å; Y179-Q221 HydrophobicContact CE1-CB 4.48Å; Y179-Q221 HydrophobicContact CE1-CG 4.12Å; Y179-Q221 HydrophobicContact CE2-CB 3.58Å; Y179-Q221 HydrophobicContact CE2-CG 4.03Å; N217-Q221 VanDerWaalsContact O-CB 3.27Å; N217-Q221 WeakPolarHBondContact O-CB 3.4Å; N217-Q221 PolarHBondContact O-N 3.32Å; N218-Q221 PolarHBondContact O-N 2.92Å; Q221-F223 VanDerWaalsContact C-N 3.32Å; Q221-F223 PolarHBondContact O-N 3.26Å; Q221-A224 PolarHBondContact O-N 3.28Å; Q221-M225 HydrophobicContact CG-CG 4.47Å; Q221-M225 WeakPolarHBondContact O-CB 3.28Å; Q221-M225 WeakPolarHBondContact O-CG 3.49Å; Q221-M225 PolarHBondContact O-N 3.09Å |
| 222 | L | 88 | Confident | 87.6 | Confident | 115 Ų | 115 | 45 Ų | 45 | 60% | 0.602 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -60.1 | -42 | 176.4 | -76.3 | 172.5 | 0 | 0 | 0 | 111.6 | N218 M219 Y226 | N218-L222 WeakPolarHBondContact O-CB 3.26Å; N218-L222 VanDerWaalsContact O-CG 3.22Å; N218-L222 WeakPolarHBondContact O-CG 3.45Å; N218-L222 PolarHBondContact O-N 3.42Å; M219-L222 PolarHBondContact O-N 2.97Å; L222-Y226 WeakPolarHBondContact O-CB 3.22Å; L222-Y226 PolarHBondContact O-N 2.82Å |
| 223 | F | 89.8 | Confident | 87.4 | Confident | 81 Ų | 81 | 43.1 Ų | 43.1 | 36% | 0.355 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.6 | -45.6 | 176.8 | -176.9 | -105.5 | 0 | 0 | 0 | 112.4 | M219 S220 Q221 M225 Y226 C227 | M219-F223 WeakPolarHBondContact O-CB 3.26Å; M219-F223 PolarHBondContact O-N 2.98Å; S220-F223 PolarHBondContact O-N 3.16Å; Q221-F223 VanDerWaalsContact C-N 3.32Å; Q221-F223 PolarHBondContact O-N 3.26Å; F223-M225 PolarHBondContact O-N 3.06Å; F223-Y226 WeakPolarHBondContact O-CB 3.46Å; F223-Y226 PolarHBondContact O-N 3.5Å; F223-C227 PolarHBondContact O-N 2.95Å; F223-C227 PolarHBondContact O-SG 3.25Å |
| 224 | A | 90.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.5 | -44.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y179 S220 Q221 Y226 C227 L228 | Y179-A224 VanDerWaalsContact CB-CB 3.48Å; Y179-A224 HydrophobicContact CD1-CB 4.39Å; Y179-A224 HydrophobicContact CG-CB 4.15Å; S220-A224 PolarHBondContact O-N 3.36Å; Q221-A224 PolarHBondContact O-N 3.28Å; A224-Y226 VanDerWaalsContact C-N 3.31Å; A224-Y226 PolarHBondContact O-N 2.66Å; A224-C227 PolarHBondContact O-N 3.48Å; A224-L228 WeakPolarHBondContact O-CB 3.25Å; A224-L228 PolarHBondContact O-N 3.24Å |
| 225 | M | 85.6 | Confident | 87.3 | Confident | 19 Ų | 19 | 40.5 Ų | 40.5 | 9% | 0.094 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.7 | -39.3 | 175.9 | -70.6 | -62.7 | -58.2 | 0 | 0 | 111.7 | I122 Q221 F223 L228 L229 F248 K252 | I122-M225 HydrophobicContact CD1-SD 3.84Å; Q221-M225 HydrophobicContact CG-CG 4.47Å; Q221-M225 WeakPolarHBondContact O-CB 3.28Å; Q221-M225 WeakPolarHBondContact O-CG 3.49Å; Q221-M225 PolarHBondContact O-N 3.09Å; F223-M225 PolarHBondContact O-N 3.06Å; M225-L228 PolarHBondContact O-N 3.36Å; M225-L229 WeakPolarHBondContact O-CB 3.41Å; M225-L229 VanDerWaalsContact O-CG 3.3Å; M225-L229 WeakPolarHBondContact O-CG 3.49Å; M225-L229 PolarHBondContact O-N 3.32Å; M225-F248 HydrophobicContact CE-CE1 4.26Å; M225-F248 HydrophobicContact CE-CE2 3.37Å; M225-F248 HydrophobicContact CE-CZ 3.15Å; M225-F248 HydrophobicContact SD-CE2 4.34Å; M225-K252 HydrophobicContact CE-CB 4.33Å; M225-K252 HydrophobicContact CE-CD 3.42Å; M225-K252 VanDerWaalsContact CE-CD 3.42Å; M225-K252 HydrophobicContact CE-CG 3.61Å; M225-K252 HydrophobicContact SD-CD 3.83Å |
| 226 | Y | 85.8 | Confident | 87.2 | Confident | 25 Ų | 25 | 42.2 Ų | 42.2 | 10% | 0.098 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.9 | -48 | 173.6 | 173 | -91 | 0 | 0 | 0 | 111.8 | H152 F153 L156 L222 F223 A224 L228 L229 L230 | H152-Y226 VanDerWaalsContact CA-OH 3.24Å; H152-Y226 WeakPolarHBondContact CA-OH 3.46Å; H152-Y226 WeakPolarHBondContact CB-OH 3.48Å; H152-Y226 AromaticContact ND1-CZ 3.82Å; H152-Y226 PolarHBondContact ND1-OH 2.7Å; F153-Y226 HydrophobicContact CB-CE2 3.83Å; F153-Y226 PolarHBondContact N-OH 2.8Å; L156-Y226 HydrophobicContact CD1-CD1 4.18Å; L156-Y226 HydrophobicContact CD1-CD2 4.4Å; L156-Y226 HydrophobicContact CD1-CE1 4.03Å; L156-Y226 HydrophobicContact CD1-CE2 4.22Å; L156-Y226 HydrophobicContact CD1-CG 4.39Å; L222-Y226 WeakPolarHBondContact O-CB 3.22Å; L222-Y226 PolarHBondContact O-N 2.82Å; F223-Y226 WeakPolarHBondContact O-CB 3.46Å; F223-Y226 PolarHBondContact O-N 3.5Å; A224-Y226 VanDerWaalsContact C-N 3.31Å; A224-Y226 PolarHBondContact O-N 2.66Å; Y226-L228 VanDerWaalsContact C-N 3.31Å; Y226-L228 PolarHBondContact O-N 3.37Å; Y226-L229 PolarHBondContact O-N 3.49Å; Y226-L230 HydrophobicContact CE1-CD2 4.33Å; Y226-L230 WeakPolarHBondContact O-CB 3.39Å; Y226-L230 PolarHBondContact O-N 3.46Å |
| 227 | C | 88 | Confident | 86.9 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.1 | -40.7 | 177.9 | -74 | 0 | 0 | 0 | 0 | 112.5 | C172 V176 F223 A224 F231 | C172-C227 PolarHBondContact SG-O 3.49Å; C172-C227 VanDerWaalsContact SG-O 3.32Å; V176-C227 HydrophobicContact CG2-CB 4.49Å; F223-C227 PolarHBondContact O-N 2.95Å; F223-C227 PolarHBondContact O-SG 3.25Å; A224-C227 PolarHBondContact O-N 3.48Å; C227-F231 WeakPolarHBondContact O-CB 3.32Å; C227-F231 PolarHBondContact O-N 2.84Å |
| 228 | L | 87.2 | Confident | 86.7 | Confident | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.1 | -43.3 | 177 | -172.1 | 169.2 | 0 | 0 | 0 | 111.3 | I122 F125 V176 A224 M225 Y226 F231 Y232 F248 | I122-L228 HydrophobicContact CG2-CD1 3.79Å; F125-L228 HydrophobicContact CD1-CD1 3.82Å; F125-L228 HydrophobicContact CD1-CD2 4.25Å; F125-L228 HydrophobicContact CD1-CG 4.32Å; F125-L228 HydrophobicContact CE1-CD1 4.42Å; F125-L228 HydrophobicContact CE1-CD2 4.02Å; V176-L228 HydrophobicContact CG2-CB 4.16Å; A224-L228 WeakPolarHBondContact O-CB 3.25Å; A224-L228 PolarHBondContact O-N 3.24Å; M225-L228 PolarHBondContact O-N 3.36Å; Y226-L228 VanDerWaalsContact C-N 3.31Å; Y226-L228 PolarHBondContact O-N 3.37Å; L228-F231 WeakPolarHBondContact O-CB 3.47Å; L228-F231 PolarHBondContact O-N 3.12Å; L228-Y232 WeakPolarHBondContact O-CB 3.29Å; L228-Y232 PolarHBondContact O-N 3.42Å; L228-F248 HydrophobicContact CD1-CD2 4.4Å; L228-F248 HydrophobicContact CD1-CE2 4.11Å; L228-F248 HydrophobicContact CD2-CD2 3.55Å; L228-F248 HydrophobicContact CD2-CE2 3.38Å; L228-F248 HydrophobicContact CD2-CZ 4.33Å; L228-F248 HydrophobicContact CG-CE2 4.33Å |
| 229 | L | 85.2 | Confident | 86.4 | Confident | 73 Ų | 73 | 42.6 Ų | 42.6 | 38% | 0.382 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.9 | -40.3 | 175.4 | -77 | 174.1 | 0 | 0 | 0 | 112.3 | M225 Y226 Y232 K233 F248 | M225-L229 WeakPolarHBondContact O-CB 3.41Å; M225-L229 VanDerWaalsContact O-CG 3.3Å; M225-L229 WeakPolarHBondContact O-CG 3.49Å; M225-L229 PolarHBondContact O-N 3.32Å; Y226-L229 PolarHBondContact O-N 3.49Å; L229-Y232 PolarHBondContact O-N 2.88Å; L229-K233 PolarHBondContact O-N 3.41Å; L229-F248 HydrophobicContact CD2-CE1 3.88Å; L229-F248 HydrophobicContact CD2-CZ 3.77Å; L229-F248 HydrophobicContact CG-CZ 4.15Å |
| 230 | L | 84.8 | Confident | 86 | Confident | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62 | -48 | 174.3 | -177.9 | 65.2 | 0 | 0 | 0 | 110.6 | W162 L168 Y226 Y232 K233 V234 | W162-L230 HydrophobicContact CE3-CD2 4.13Å; W162-L230 HydrophobicContact CZ3-CD2 4.2Å; L168-L230 HydrophobicContact CD1-CD2 4.21Å; Y226-L230 HydrophobicContact CE1-CD2 4.33Å; Y226-L230 WeakPolarHBondContact O-CB 3.39Å; Y226-L230 PolarHBondContact O-N 3.46Å; L230-Y232 VanDerWaalsContact C-N 3.31Å; L230-Y232 PolarHBondContact O-N 3.15Å; L230-K233 PolarHBondContact O-N 2.91Å; L230-V234 WeakPolarHBondContact O-CG2 3.21Å; L230-V234 PolarHBondContact O-N 3.08Å; L230-V234 VanDerWaalsContact O-N 3.12Å |
| 231 | F | 87.4 | Confident | 85.4 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.3 | -47.8 | 175.1 | 178.1 | -89.1 | 0 | 0 | 0 | 111.5 | M126 L129 L133 L169 C172 C227 L228 K233 V234 L235 L239 | M126-F231 HydrophobicContact CE-CD1 4.4Å; M126-F231 HydrophobicContact CE-CD2 3.46Å; M126-F231 VanDerWaalsContact CE-CD2 3.46Å; M126-F231 HydrophobicContact CE-CE1 4.5Å; M126-F231 HydrophobicContact CE-CE2 3.5Å; M126-F231 VanDerWaalsContact CE-CE2 3.5Å; M126-F231 HydrophobicContact CE-CG 3.9Å; M126-F231 HydrophobicContact CE-CZ 4.06Å; M126-F231 HydrophobicContact SD-CD1 4.24Å; M126-F231 HydrophobicContact SD-CD2 4.31Å; M126-F231 HydrophobicContact SD-CE1 4.48Å; M126-F231 HydrophobicContact SD-CE2 4.45Å; M126-F231 HydrophobicContact SD-CG 4.15Å; L129-F231 HydrophobicContact CB-CE1 3.75Å; L129-F231 HydrophobicContact CB-CZ 4.42Å; L129-F231 HydrophobicContact CD1-CD1 4.21Å; L129-F231 HydrophobicContact CD1-CE1 4.11Å; L133-F231 HydrophobicContact CD1-CE1 3.98Å; L133-F231 HydrophobicContact CD1-CZ 3.69Å; L169-F231 HydrophobicContact CD2-CD2 4.06Å; L169-F231 HydrophobicContact CD2-CE2 3.38Å; L169-F231 HydrophobicContact CD2-CZ 4.3Å; C172-F231 HydrophobicContact CB-CB 4.1Å; C172-F231 HydrophobicContact CB-CD2 4.05Å; C227-F231 WeakPolarHBondContact O-CB 3.32Å; C227-F231 PolarHBondContact O-N 2.84Å; L228-F231 WeakPolarHBondContact O-CB 3.47Å; L228-F231 PolarHBondContact O-N 3.12Å; F231-K233 PolarHBondContact O-N 3.26Å; F231-V234 PolarHBondContact O-N 3.45Å; F231-L235 HydrophobicContact CD1-CD1 3.98Å; F231-L235 HydrophobicContact CD2-CD1 3.68Å; F231-L235 HydrophobicContact CE1-CD1 3.66Å; F231-L235 HydrophobicContact CE2-CD1 3.41Å; F231-L235 VanDerWaalsContact CE2-CD1 3.41Å; F231-L235 HydrophobicContact CG-CD1 3.99Å; F231-L235 HydrophobicContact CZ-CD1 3.39Å; F231-L235 WeakPolarHBondContact O-CB 3.38Å; F231-L235 PolarHBondContact O-N 2.91Å; F231-L235 VanDerWaalsContact O-N 3.1Å; F231-L239 HydrophobicContact CE1-CD1 4.34Å |
| 232 | Y | 83.8 | Confident | 84.7 | Confident | 47 Ų | 47 | 44 Ų | 44 | 18% | 0.184 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.9 | -43.6 | 177.7 | 171.4 | -112.7 | 0 | 0 | 0 | 112.3 | L228 L229 L230 V234 L235 K236 L239 P244 V245 | L228-Y232 WeakPolarHBondContact O-CB 3.29Å; L228-Y232 PolarHBondContact O-N 3.42Å; L229-Y232 PolarHBondContact O-N 2.88Å; L230-Y232 VanDerWaalsContact C-N 3.31Å; L230-Y232 PolarHBondContact O-N 3.15Å; Y232-V234 VanDerWaalsContact C-N 3.33Å; Y232-V234 PolarHBondContact O-N 3.09Å; Y232-L235 CarbonylContact O-C 3.54Å; Y232-L235 PolarHBondContact O-N 3.15Å; Y232-K236 HydrophobicContact CE2-CB 4.21Å; Y232-K236 HydrophobicContact CE2-CG 4.23Å; Y232-K236 VanDerWaalsContact O-CA 3.28Å; Y232-K236 WeakPolarHBondContact O-CA 3.37Å; Y232-K236 WeakPolarHBondContact O-CB 3.2Å; Y232-K236 PolarHBondContact O-N 3.27Å; Y232-K236 WeakPolarHBondContact OH-CG 3.3Å; Y232-L239 HydrophobicContact CD2-CD1 4.05Å; Y232-P244 HydrophobicContact CD2-CB 4.27Å; Y232-P244 HydrophobicContact CD2-CG 3.75Å; Y232-P244 HydrophobicContact CE2-CB 4.16Å; Y232-P244 HydrophobicContact CE2-CG 3.2Å; Y232-V245 HydrophobicContact CE1-CG2 3.66Å; Y232-V245 HydrophobicContact CE2-CG2 4.23Å; Y232-V245 WeakPolarHBondContact OH-CG2 3.39Å |
| 233 | K | 83.4 | Confident | 83.9 | Confident | 75 Ų | 75 | 45.9 Ų | 45.9 | 33% | 0.326 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.8 | -45.8 | 178.8 | 179.4 | -176 | 178.7 | 177.2 | 0 | 111.5 | F153 L229 L230 F231 L235 | F153-K233 HydrophobicContact CD2-CD 4.31Å; F153-K233 HydrophobicContact CE2-CB 4.06Å; F153-K233 HydrophobicContact CE2-CD 3.46Å; F153-K233 VanDerWaalsContact CE2-CD 3.46Å; F153-K233 HydrophobicContact CE2-CG 4.29Å; F153-K233 HydrophobicContact CZ-CD 3.62Å; F153-K233 HydrophobicContact CZ-CG 4.42Å; L229-K233 PolarHBondContact O-N 3.41Å; L230-K233 PolarHBondContact O-N 2.91Å; F231-K233 PolarHBondContact O-N 3.26Å; K233-L235 VanDerWaalsContact C-N 3.29Å; K233-L235 PolarHBondContact O-N 3.25Å |
| 234 | V | 84 | Confident | 83 | Confident | 7 Ų | 7 | 42.2 Ų | 42.2 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.4 | -37.1 | -178.7 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | L144 Q150 M164 L168 L230 F231 Y232 | L144-V234 HydrophobicContact CD2-CG1 3.45Å; L144-V234 VanDerWaalsContact CD2-CG1 3.45Å; Q150-V234 HydrophobicContact CB-CG2 4.21Å; Q150-V234 HydrophobicContact CG-CG2 3.93Å; M164-V234 HydrophobicContact CE-CG1 4.46Å; M164-V234 HydrophobicContact CE-CG2 4.2Å; M164-V234 HydrophobicContact SD-CG1 4.31Å; L168-V234 HydrophobicContact CD2-CB 4.1Å; L168-V234 HydrophobicContact CD2-CG1 3.8Å; L168-V234 HydrophobicContact CD2-CG2 3.8Å; L230-V234 WeakPolarHBondContact O-CG2 3.21Å; L230-V234 PolarHBondContact O-N 3.08Å; L230-V234 VanDerWaalsContact O-N 3.12Å; F231-V234 PolarHBondContact O-N 3.45Å; Y232-V234 VanDerWaalsContact C-N 3.33Å; Y232-V234 PolarHBondContact O-N 3.09Å |
| 235 | L | 84.3 | Confident | 82.1 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 16.4 | -172.7 | -68.1 | 155.1 | 0 | 0 | 0 | 113.3 | L133 L140 L144 L169 F231 Y232 K233 E237 E238 L239 | L133-L235 HydrophobicContact CD1-CB 4.08Å; L133-L235 HydrophobicContact CD1-CD1 3.55Å; L133-L235 HydrophobicContact CD1-CD2 3.95Å; L133-L235 HydrophobicContact CD1-CG 4.05Å; L133-L235 HydrophobicContact CD2-CD2 4.38Å; L140-L235 HydrophobicContact CD1-CD2 3.77Å; L144-L235 HydrophobicContact CD2-CD2 3.91Å; L144-L235 HydrophobicContact CD2-CG 4.21Å; L144-L235 HydrophobicContact CG-CD2 4.27Å; L169-L235 HydrophobicContact CD2-CD1 4.19Å; F231-L235 HydrophobicContact CD1-CD1 3.98Å; F231-L235 HydrophobicContact CD2-CD1 3.68Å; F231-L235 HydrophobicContact CE1-CD1 3.66Å; F231-L235 HydrophobicContact CE2-CD1 3.41Å; F231-L235 VanDerWaalsContact CE2-CD1 3.41Å; F231-L235 HydrophobicContact CG-CD1 3.99Å; F231-L235 HydrophobicContact CZ-CD1 3.39Å; F231-L235 WeakPolarHBondContact O-CB 3.38Å; F231-L235 PolarHBondContact O-N 2.91Å; F231-L235 VanDerWaalsContact O-N 3.1Å; Y232-L235 CarbonylContact O-C 3.54Å; Y232-L235 PolarHBondContact O-N 3.15Å; K233-L235 VanDerWaalsContact C-N 3.29Å; K233-L235 PolarHBondContact O-N 3.25Å; L235-E237 VanDerWaalsContact C-N 3.29Å; L235-E237 PolarHBondContact O-N 3.49Å; L235-E238 HydrophobicContact CD2-CG 4.43Å; L235-E238 PolarHBondContact O-N 2.89Å; L235-L239 HydrophobicContact CB-CD1 3.85Å; L235-L239 HydrophobicContact CB-CG 4.21Å; L235-L239 WeakPolarHBondContact O-CB 3.15Å; L235-L239 VanDerWaalsContact O-CG 3.28Å; L235-L239 WeakPolarHBondContact O-CG 3.45Å; L235-L239 PolarHBondContact O-N 3.34Å |
| 236 | K | 84.7 | Confident | 81.5 | Confident | 125 Ų | 125 | 46.4 Ų | 46.4 | 54% | 0.543 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58 | -40.7 | -173.6 | 173.4 | 174.1 | 177.9 | -168.6 | 0 | 112.8 | Y232 S240 | Y232-K236 HydrophobicContact CE2-CB 4.21Å; Y232-K236 HydrophobicContact CE2-CG 4.23Å; Y232-K236 VanDerWaalsContact O-CA 3.28Å; Y232-K236 WeakPolarHBondContact O-CA 3.37Å; Y232-K236 WeakPolarHBondContact O-CB 3.2Å; Y232-K236 PolarHBondContact O-N 3.27Å; Y232-K236 WeakPolarHBondContact OH-CG 3.3Å; K236-S240 PolarHBondContact O-N 3.24Å |
| 237 | E | 83.7 | Confident | 81.2 | Confident | 131 Ų | 131 | 46.5 Ų | 46.5 | 61% | 0.612 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -66.8 | -48.4 | -179.1 | -67.8 | 172 | 168.4 | 0 | 0 | 110.8 | K147 L235 L239 S240 | K147-E237 IonicContact NZ-OE2 2.98Å; K147-E237 PolarHBondContact NZ-OE2 3.38Å; L235-E237 VanDerWaalsContact C-N 3.29Å; L235-E237 PolarHBondContact O-N 3.49Å; E237-L239 VanDerWaalsContact C-N 3.31Å; E237-L239 PolarHBondContact O-N 3.05Å; E237-S240 VanDerWaalsContact O-CB 3.27Å; E237-S240 WeakPolarHBondContact O-CB 3.35Å; E237-S240 PolarHBondContact O-N 3.42Å; E237-S240 VanDerWaalsContact O-N 3.16Å; E237-S240 PolarHBondContact O-OG 3.32Å |
| 238 | E | 85 | Confident | 80.7 | Confident | 32 Ų | 32 | 48.3 Ų | 48.3 | 15% | 0.15 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.4 | -32 | 179.6 | -51.9 | -49 | 148.9 | 0 | 0 | 112.8 | L133 Y137 L235 P241 | L133-E238 HydrophobicContact CD2-CB 3.58Å; Y137-E238 HydrophobicContact CD2-CB 4.47Å; Y137-E238 WeakPolarHBondContact CE1-OE2 3.25Å; Y137-E238 HydrophobicContact CE2-CB 3.86Å; Y137-E238 HydrophobicContact CE2-CG 4.39Å; Y137-E238 WeakPolarHBondContact CE2-OE2 3.49Å; Y137-E238 PolarHBondContact OH-OE2 3.05Å; L235-E238 HydrophobicContact CD2-CG 4.43Å; L235-E238 PolarHBondContact O-N 2.89Å; E238-P241 VanDerWaalsContact O-CD 3.32Å; E238-P241 WeakPolarHBondContact O-CD 3.47Å |
| 239 | L | 83.9 | Confident | 80.1 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -86.7 | -7.8 | 176.7 | -64.6 | 168.8 | 0 | 0 | 0 | 112.9 | L129 Y132 L133 F231 Y232 L235 E237 P241 I242 P244 | L129-L239 HydrophobicContact CD2-CD1 4.35Å; L129-L239 HydrophobicContact CD2-CD2 4.04Å; Y132-L239 HydrophobicContact CD1-CD2 3.86Å; Y132-L239 HydrophobicContact CE1-CD2 4.39Å; L133-L239 HydrophobicContact CD1-CD1 4.41Å; L133-L239 HydrophobicContact CD1-CD2 3.93Å; L133-L239 HydrophobicContact CD1-CG 4.21Å; L133-L239 HydrophobicContact CD2-CD2 3.82Å; L133-L239 HydrophobicContact CD2-CG 4.07Å; L133-L239 HydrophobicContact CG-CD2 3.72Å; L133-L239 HydrophobicContact CG-CG 4.32Å; F231-L239 HydrophobicContact CE1-CD1 4.34Å; Y232-L239 HydrophobicContact CD2-CD1 4.05Å; L235-L239 HydrophobicContact CB-CD1 3.85Å; L235-L239 HydrophobicContact CB-CG 4.21Å; L235-L239 WeakPolarHBondContact O-CB 3.15Å; L235-L239 VanDerWaalsContact O-CG 3.28Å; L235-L239 WeakPolarHBondContact O-CG 3.45Å; L235-L239 PolarHBondContact O-N 3.34Å; E237-L239 VanDerWaalsContact C-N 3.31Å; E237-L239 PolarHBondContact O-N 3.05Å; L239-P241 VanDerWaalsContact C-N 3.27Å; L239-P241 WeakPolarHBondContact O-CD 3.46Å; L239-P241 VanDerWaalsContact O-N 3.13Å; L239-I242 HydrophobicContact CB-CG1 4.37Å; L239-I242 HydrophobicContact CD2-CD1 3.76Å; L239-I242 HydrophobicContact CD2-CG1 4.33Å; L239-I242 WeakPolarHBondContact O-CG1 3.49Å; L239-I242 PolarHBondContact O-N 3.37Å; L239-I242 VanDerWaalsContact O-N 3.08Å; L239-P244 HydrophobicContact CB-CB 4.45Å; L239-P244 HydrophobicContact CB-CG 3.83Å; L239-P244 WeakPolarHBondContact O-CD 3.38Å |
| 240 | S | 80 | Confident | 79.7 | Confident | 73 Ų | 73 | 49.8 Ų | 49.8 | 51% | 0.51 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -51.8 | -35.4 | -178.6 | 69 | 0 | 0 | 0 | 0 | 114.8 | K236 E237 I242 Q243 | K236-S240 PolarHBondContact O-N 3.24Å; E237-S240 VanDerWaalsContact O-CB 3.27Å; E237-S240 WeakPolarHBondContact O-CB 3.35Å; E237-S240 PolarHBondContact O-N 3.42Å; E237-S240 VanDerWaalsContact O-N 3.16Å; E237-S240 PolarHBondContact O-OG 3.32Å; S240-I242 PolarHBondContact O-N 3.03Å; S240-Q243 PolarHBondContact O-N 3.37Å |
| 241 | P | 78.4 | Confident | 79.2 | Confident | 89 Ų | 89 | 50 Ų | 50 | 58% | 0.578 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -65.8 | -24.1 | -179.5 | -20.6 | 34.3 | 0 | 0 | 0 | 114.1 | E238 L239 | E238-P241 VanDerWaalsContact O-CD 3.32Å; E238-P241 WeakPolarHBondContact O-CD 3.47Å; L239-P241 VanDerWaalsContact C-N 3.27Å; L239-P241 WeakPolarHBondContact O-CD 3.46Å; L239-P241 VanDerWaalsContact O-N 3.13Å |
| 242 | I | 75.8 | Confident | 78.8 | Confident | 23 Ų | 23 | 51.7 Ų | 51.7 | 12% | 0.118 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -97.5 | 3.8 | -177.2 | 62.2 | 163.7 | 0 | 0 | 0 | 114 | F128 L129 Y132 L239 S240 P244 K247 | F128-I242 HydrophobicContact CE1-CD1 3.93Å; F128-I242 HydrophobicContact CZ-CD1 4.22Å; L129-I242 HydrophobicContact CD2-CD1 3.86Å; Y132-I242 HydrophobicContact CD1-CD1 3.96Å; Y132-I242 HydrophobicContact CD1-CG1 4.47Å; Y132-I242 HydrophobicContact CD1-CG2 4.25Å; Y132-I242 HydrophobicContact CD2-CG2 3.8Å; Y132-I242 HydrophobicContact CE1-CD1 4.3Å; Y132-I242 HydrophobicContact CE1-CG1 4.32Å; Y132-I242 HydrophobicContact CE1-CG2 3.79Å; Y132-I242 HydrophobicContact CE2-CG2 3.28Å; Y132-I242 HydrophobicContact CG-CD1 4.15Å; Y132-I242 HydrophobicContact CG-CG2 4.26Å; L239-I242 HydrophobicContact CB-CG1 4.37Å; L239-I242 HydrophobicContact CD2-CD1 3.76Å; L239-I242 HydrophobicContact CD2-CG1 4.33Å; L239-I242 WeakPolarHBondContact O-CG1 3.49Å; L239-I242 PolarHBondContact O-N 3.37Å; L239-I242 VanDerWaalsContact O-N 3.08Å; S240-I242 PolarHBondContact O-N 3.03Å; I242-P244 HydrophobicContact CD1-CB 4.39Å; I242-P244 HydrophobicContact CG1-CB 4.33Å; I242-K247 VanDerWaalsContact O-CE 3.29Å; I242-K247 WeakPolarHBondContact O-CE 3.3Å; I242-K247 PolarHBondContact O-NZ 2.9Å |
| 243 | Q | 71.7 | Confident | 78.6 | Confident | 153 Ų | 153 | 53.5 Ų | 53.5 | 72% | 0.715 | 28% | 0.283 | S | S | * | . | trans | 42.1 | 60.3 | -176.5 | -64.3 | -174.2 | -9.8 | 0 | 0 | 112.8 | S240 V245 G246 | S240-Q243 PolarHBondContact O-N 3.37Å; Q243-V245 PolarHBondContact O-N 3.1Å; Q243-G246 PolarHBondContact O-N 2.84Å; Q243-G246 VanDerWaalsContact O-N 3.14Å | ||
| 244 | P | 69.8 | Low | 78.3 | Confident | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.032 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.6 | -24.2 | -168 | 31 | -39.7 | 0 | 0 | 0 | 112.4 | L129 Y232 L239 I242 G246 K247 F248 | L129-P244 HydrophobicContact CD2-CB 4.12Å; Y232-P244 HydrophobicContact CD2-CB 4.27Å; Y232-P244 HydrophobicContact CD2-CG 3.75Å; Y232-P244 HydrophobicContact CE2-CB 4.16Å; Y232-P244 HydrophobicContact CE2-CG 3.2Å; L239-P244 HydrophobicContact CB-CB 4.45Å; L239-P244 HydrophobicContact CB-CG 3.83Å; L239-P244 WeakPolarHBondContact O-CD 3.38Å; I242-P244 HydrophobicContact CD1-CB 4.39Å; I242-P244 HydrophobicContact CG1-CB 4.33Å; P244-G246 VanDerWaalsContact C-N 3.34Å; P244-K247 PolarHBondContact O-N 3.37Å; P244-F248 WeakPolarHBondContact O-CB 3.3Å; P244-F248 PolarHBondContact O-N 3.2Å |
| 245 | V | 72.2 | Confident | 77.9 | Confident | 74 Ų | 74 | 50.6 Ų | 50.6 | 45% | 0.448 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 176.3 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | Y232 Q243 K247 F248 L249 | Y232-V245 HydrophobicContact CE1-CG2 3.66Å; Y232-V245 HydrophobicContact CE2-CG2 4.23Å; Y232-V245 WeakPolarHBondContact OH-CG2 3.39Å; Q243-V245 PolarHBondContact O-N 3.1Å; V245-K247 VanDerWaalsContact C-N 3.35Å; V245-F248 PolarHBondContact O-N 2.97Å; V245-L249 WeakPolarHBondContact O-CB 3.44Å; V245-L249 PolarHBondContact O-N 3.48Å |
| 246 | G | 71.7 | Confident | 77.7 | Confident | 33 Ų | 33 | 56 Ų | 56 | 34% | 0.34 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q243 P244 C250 | Q243-G246 PolarHBondContact O-N 2.84Å; Q243-G246 VanDerWaalsContact O-N 3.14Å; P244-G246 VanDerWaalsContact C-N 3.34Å; G246-C250 VanDerWaalsContact O-CB 3.26Å; G246-C250 WeakPolarHBondContact O-CB 3.01Å; G246-C250 PolarHBondContact O-N 2.88Å |
| 247 | K | 80.9 | Confident | 77.6 | Confident | 26 Ų | 26 | 51.9 Ų | 51.9 | 11% | 0.113 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.4 | -44.4 | 178 | -64.2 | 179 | 178.6 | -179.8 | 0 | 112.5 | F125 F128 I242 P244 V245 C250 V251 T311 F312 | F125-K247 HydrophobicContact CE2-CB 3.92Å; F125-K247 HydrophobicContact CZ-CB 4.41Å; F128-K247 HydrophobicContact CE1-CD 4.16Å; I242-K247 VanDerWaalsContact O-CE 3.29Å; I242-K247 WeakPolarHBondContact O-CE 3.3Å; I242-K247 PolarHBondContact O-NZ 2.9Å; P244-K247 PolarHBondContact O-N 3.37Å; V245-K247 VanDerWaalsContact C-N 3.35Å; K247-C250 WeakPolarHBondContact O-CB 3.38Å; K247-C250 PolarHBondContact O-N 3.18Å; K247-V251 WeakPolarHBondContact O-CG2 3.41Å; K247-V251 PolarHBondContact O-N 3.45Å; K247-V251 VanDerWaalsContact O-N 3.11Å; K247-T311 VanDerWaalsContact CE-O 3.25Å; K247-T311 WeakPolarHBondContact CE-O 3.49Å; K247-F312 HydrophobicContact CB-CE1 4.01Å; K247-F312 HydrophobicContact CB-CE2 4.46Å; K247-F312 HydrophobicContact CB-CZ 3.77Å; K247-F312 HydrophobicContact CD-CD1 4.21Å; K247-F312 HydrophobicContact CD-CE1 3.89Å; K247-F312 HydrophobicContact CD-CZ 4.49Å; K247-F312 HydrophobicContact CG-CD1 4.38Å; K247-F312 HydrophobicContact CG-CE1 3.95Å; K247-F312 HydrophobicContact CG-CZ 4.07Å |
| 248 | F | 75.8 | Confident | 77.5 | Confident | 39 Ų | 39 | 46.6 Ų | 46.6 | 17% | 0.171 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.4 | -45.3 | 176.3 | 173.4 | -99.7 | 0 | 0 | 0 | 111.7 | F125 M225 L228 L229 P244 V245 C250 V251 K252 | F125-F248 HydrophobicContact CD1-CD2 4.36Å; F125-F248 HydrophobicContact CE1-CB 3.91Å; F125-F248 AromaticContact CE1-CD2 3.81Å; F125-F248 HydrophobicContact CE1-CD2 3.81Å; F125-F248 HydrophobicContact CE1-CG 4.35Å; F125-F248 HydrophobicContact CZ-CB 3.7Å; F125-F248 HydrophobicContact CZ-CD2 4.44Å; M225-F248 HydrophobicContact CE-CE1 4.26Å; M225-F248 HydrophobicContact CE-CE2 3.37Å; M225-F248 HydrophobicContact CE-CZ 3.15Å; M225-F248 HydrophobicContact SD-CE2 4.34Å; L228-F248 HydrophobicContact CD1-CD2 4.4Å; L228-F248 HydrophobicContact CD1-CE2 4.11Å; L228-F248 HydrophobicContact CD2-CD2 3.55Å; L228-F248 HydrophobicContact CD2-CE2 3.38Å; L228-F248 HydrophobicContact CD2-CZ 4.33Å; L228-F248 HydrophobicContact CG-CE2 4.33Å; L229-F248 HydrophobicContact CD2-CE1 3.88Å; L229-F248 HydrophobicContact CD2-CZ 3.77Å; L229-F248 HydrophobicContact CG-CZ 4.15Å; P244-F248 WeakPolarHBondContact O-CB 3.3Å; P244-F248 PolarHBondContact O-N 3.2Å; V245-F248 PolarHBondContact O-N 2.97Å; F248-C250 VanDerWaalsContact C-N 3.29Å; F248-C250 PolarHBondContact O-N 2.92Å; F248-V251 PolarHBondContact O-N 3.16Å; F248-K252 WeakPolarHBondContact O-CB 3.48Å; F248-K252 PolarHBondContact O-N 3.03Å |
| 249 | L | 76.1 | Confident | 77.3 | Confident | 94 Ų | 94 | 49.8 Ų | 49.8 | 49% | 0.492 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.6 | -41 | 176.6 | -172.2 | 67 | 0 | 0 | 0 | 109.8 | V245 V251 K252 L253 | V245-L249 WeakPolarHBondContact O-CB 3.44Å; V245-L249 PolarHBondContact O-N 3.48Å; L249-V251 VanDerWaalsContact C-N 3.35Å; L249-V251 PolarHBondContact O-N 3.27Å; L249-K252 PolarHBondContact O-N 3.21Å; L249-L253 HydrophobicContact CD1-CB 4.34Å; L249-L253 HydrophobicContact CD1-CD1 4.2Å; L249-L253 HydrophobicContact CG-CB 4.39Å; L249-L253 HydrophobicContact CG-CD1 4.09Å; L249-L253 WeakPolarHBondContact O-CA 3.45Å; L249-L253 WeakPolarHBondContact O-CB 2.87Å; L249-L253 PolarHBondContact O-N 3.31Å |
| 250 | C | 75.8 | Confident | 77.2 | Confident | 13 Ų | 13 | 56 Ų | 56 | 9% | 0.088 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 177.2 | -158.3 | 0 | 0 | 0 | 0 | 112.3 | G246 K247 F248 V254 H308 T311 | G246-C250 VanDerWaalsContact O-CB 3.26Å; G246-C250 WeakPolarHBondContact O-CB 3.01Å; G246-C250 PolarHBondContact O-N 2.88Å; K247-C250 WeakPolarHBondContact O-CB 3.38Å; K247-C250 PolarHBondContact O-N 3.18Å; F248-C250 VanDerWaalsContact C-N 3.29Å; F248-C250 PolarHBondContact O-N 2.92Å; C250-V254 WeakPolarHBondContact O-CG2 3.42Å; C250-H308 PolarHBondContact SG-CD2 3.36Å; C250-H308 PolarHBondContact SG-NE2 3.37Å; C250-H308 VanDerWaalsContact SG-NE2 3.44Å; C250-T311 HydrophobicContact CB-CG2 4.31Å |
| 251 | V | 74.4 | Confident | 77.4 | Confident | 11 Ų | 11 | 54 Ų | 54 | 7% | 0.067 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.4 | -45.5 | 177.4 | 172.8 | 0 | 0 | 0 | 0 | 112 | I86 M89 V121 K247 F248 L249 F312 | I86-V251 HydrophobicContact CG2-CG2 3.45Å; I86-V251 VanDerWaalsContact CG2-CG2 3.45Å; M89-V251 HydrophobicContact SD-CG1 4.49Å; V121-V251 HydrophobicContact CG1-CG1 3.49Å; V121-V251 VanDerWaalsContact CG1-CG1 3.49Å; V121-V251 HydrophobicContact CG1-CG2 4.47Å; K247-V251 WeakPolarHBondContact O-CG2 3.41Å; K247-V251 PolarHBondContact O-N 3.45Å; K247-V251 VanDerWaalsContact O-N 3.11Å; F248-V251 PolarHBondContact O-N 3.16Å; L249-V251 VanDerWaalsContact C-N 3.35Å; L249-V251 PolarHBondContact O-N 3.27Å; V251-F312 HydrophobicContact CG2-CE2 4.46Å; V251-F312 HydrophobicContact CG2-CZ 4.2Å |
| 252 | K | 79.2 | Confident | 77.6 | Confident | 35 Ų | 35 | 51.1 Ų | 51.1 | 15% | 0.152 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -81.3 | -33.9 | -172.3 | -169.5 | 59.2 | 179.4 | -179.9 | 0 | 113.3 | E118 M225 F248 L249 V254 V255 F256 | E118-K252 IonicContact OE1-NZ 3.22Å; E118-K252 PolarHBondContact OE1-NZ 3.47Å; M225-K252 HydrophobicContact CE-CB 4.33Å; M225-K252 HydrophobicContact CE-CD 3.42Å; M225-K252 VanDerWaalsContact CE-CD 3.42Å; M225-K252 HydrophobicContact CE-CG 3.61Å; M225-K252 HydrophobicContact SD-CD 3.83Å; F248-K252 WeakPolarHBondContact O-CB 3.48Å; F248-K252 PolarHBondContact O-N 3.03Å; L249-K252 PolarHBondContact O-N 3.21Å; K252-V254 VanDerWaalsContact C-N 3.26Å; K252-V254 PolarHBondContact O-N 3.37Å; K252-V255 PolarHBondContact O-N 3.07Å; K252-F256 VanDerWaalsContact O-CB 3.29Å; K252-F256 WeakPolarHBondContact O-CB 3.49Å; K252-F256 PolarHBondContact O-N 3.14Å |
| 253 | L | 78.8 | Confident | 77.8 | Confident | 85 Ų | 85 | 53 Ų | 53 | 45% | 0.445 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.1 | -37.7 | -178.8 | -172.7 | 155.1 | 0 | 0 | 0 | 110.5 | L249 V255 F256 V257 | L249-L253 HydrophobicContact CD1-CB 4.34Å; L249-L253 HydrophobicContact CD1-CD1 4.2Å; L249-L253 HydrophobicContact CG-CB 4.39Å; L249-L253 HydrophobicContact CG-CD1 4.09Å; L249-L253 WeakPolarHBondContact O-CA 3.45Å; L249-L253 WeakPolarHBondContact O-CB 2.87Å; L249-L253 PolarHBondContact O-N 3.31Å; L253-V255 VanDerWaalsContact C-N 3.32Å; L253-V255 PolarHBondContact O-N 3.46Å; L253-F256 PolarHBondContact O-N 3.01Å; L253-V257 HydrophobicContact CD2-CB 4.49Å; L253-V257 HydrophobicContact CD2-CG2 3.55Å; L253-V257 HydrophobicContact CG-CG2 3.85Å; L253-V257 VanDerWaalsContact O-CB 3.32Å; L253-V257 WeakPolarHBondContact O-CB 3.32Å; L253-V257 WeakPolarHBondContact O-CG2 3.33Å; L253-V257 PolarHBondContact O-N 3.43Å |
| 254 | V | 77.1 | Confident | 78.5 | Confident | 7 Ų | 7 | 49.1 Ų | 49.1 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -53.5 | -49 | 174.4 | 165.9 | 0 | 0 | 0 | 0 | 111.9 | M89 Y93 C250 K252 S258 M301 A304 | M89-V254 HydrophobicContact CE-CB 4.08Å; M89-V254 HydrophobicContact CE-CG1 3.63Å; Y93-V254 HydrophobicContact CD1-CG1 4.12Å; Y93-V254 HydrophobicContact CE1-CG1 4.14Å; C250-V254 WeakPolarHBondContact O-CG2 3.42Å; K252-V254 VanDerWaalsContact C-N 3.26Å; K252-V254 PolarHBondContact O-N 3.37Å; V254-S258 PolarHBondContact O-N 3.43Å; V254-S258 PolarHBondContact O-OG 2.96Å; V254-M301 HydrophobicContact CB-CE 4.34Å; V254-M301 HydrophobicContact CG1-CE 3.38Å; V254-M301 HydrophobicContact CG1-SD 3.98Å; V254-M301 HydrophobicContact CG2-CE 4.26Å; V254-A304 HydrophobicContact CG2-CB 3.68Å |
| 255 | V | 76.9 | Confident | 79.2 | Confident | 14 Ų | 14 | 49.4 Ų | 49.4 | 9% | 0.085 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -76.2 | -38.9 | -179.5 | -174.4 | 0 | 0 | 0 | 0 | 111.7 | M89 E118 K252 L253 S258 F259 | M89-V255 HydrophobicContact CE-CG2 3.56Å; E118-V255 VanDerWaalsContact CD-CG1 3.41Å; E118-V255 HydrophobicContact CG-CG2 3.8Å; E118-V255 WeakPolarHBondContact OE1-CG1 3.38Å; E118-V255 WeakPolarHBondContact OE2-CG1 2.93Å; K252-V255 PolarHBondContact O-N 3.07Å; L253-V255 VanDerWaalsContact C-N 3.32Å; L253-V255 PolarHBondContact O-N 3.46Å; V255-S258 WeakPolarHBondContact CA-OG 3.35Å; V255-S258 PolarHBondContact O-N 3.02Å; V255-S258 PolarHBondContact O-OG 2.96Å; V255-F259 WeakPolarHBondContact O-CB 3.08Å; V255-F259 PolarHBondContact O-N 2.87Å |
| 256 | F | 80.2 | Confident | 79.5 | Confident | 113 Ų | 113 | 48.3 Ų | 48.3 | 50% | 0.496 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.7 | -43.5 | -177 | -174.3 | -99.7 | 0 | 0 | 0 | 111 | K252 L253 F259 W260 | K252-F256 VanDerWaalsContact O-CB 3.29Å; K252-F256 WeakPolarHBondContact O-CB 3.49Å; K252-F256 PolarHBondContact O-N 3.14Å; L253-F256 PolarHBondContact O-N 3.01Å; F256-F259 PolarHBondContact O-N 3.49Å; F256-W260 AromaticContact CD1-CD1 3.59Å; F256-W260 AromaticContact CD1-NE1 3.97Å; F256-W260 AromaticContact CD2-NE1 3.9Å; F256-W260 AromaticContact CE1-CD1 3.31Å; F256-W260 HydrophobicContact CE1-CG 4.45Å; F256-W260 AromaticContact CE1-NE1 3.29Å; F256-W260 VanDerWaalsContact CE1-NE1 3.29Å; F256-W260 AromaticContact CE2-CD1 3.78Å; F256-W260 AromaticContact CE2-NE1 3.22Å; F256-W260 AromaticContact CG-CD1 3.96Å; F256-W260 AromaticContact CZ-CD1 3.45Å; F256-W260 VanDerWaalsContact CZ-CD1 3.45Å; F256-W260 AromaticContact CZ-CE2 3.98Å; F256-W260 AromaticContact CZ-NE1 2.9Å; F256-W260 PolarHBondContact O-N 3.49Å |
| 257 | V | 83.1 | Confident | 79.9 | Confident | 39 Ų | 39 | 51.6 Ų | 51.6 | 24% | 0.236 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.1 | -44 | 179.3 | 179.5 | 0 | 0 | 0 | 0 | 110.4 | L253 F259 W260 Q261 E300 | L253-V257 HydrophobicContact CD2-CB 4.49Å; L253-V257 HydrophobicContact CD2-CG2 3.55Å; L253-V257 HydrophobicContact CG-CG2 3.85Å; L253-V257 VanDerWaalsContact O-CB 3.32Å; L253-V257 WeakPolarHBondContact O-CB 3.32Å; L253-V257 WeakPolarHBondContact O-CG2 3.33Å; L253-V257 PolarHBondContact O-N 3.43Å; V257-F259 VanDerWaalsContact C-N 3.32Å; V257-F259 PolarHBondContact O-N 3.33Å; V257-W260 PolarHBondContact O-N 3.2Å; V257-Q261 HydrophobicContact CG1-CG 4.33Å; V257-Q261 WeakPolarHBondContact O-CB 3.38Å; V257-Q261 WeakPolarHBondContact O-CG 3.2Å; V257-Q261 PolarHBondContact O-N 2.87Å; V257-E300 WeakPolarHBondContact CG1-OE1 3.49Å |
| 258 | S | 80.4 | Confident | 80 | Confident | 20 Ų | 20 | 53.5 Ų | 53.5 | 14% | 0.14 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.9 | -36.5 | 176.7 | 64.6 | 0 | 0 | 0 | 0 | 113.2 | V254 V255 Q261 A262 | V254-S258 PolarHBondContact O-N 3.43Å; V254-S258 PolarHBondContact O-OG 2.96Å; V255-S258 WeakPolarHBondContact CA-OG 3.35Å; V255-S258 PolarHBondContact O-N 3.02Å; V255-S258 PolarHBondContact O-OG 2.96Å; S258-Q261 WeakPolarHBondContact O-CB 3.29Å; S258-Q261 PolarHBondContact O-N 3.02Å; S258-A262 PolarHBondContact O-N 3.2Å |
| 259 | F | 80.5 | Confident | 80.1 | Confident | 100 Ų | 100 | 53.3 Ų | 53.3 | 44% | 0.439 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.9 | -49 | 172.2 | 173.1 | -95.9 | 0 | 0 | 0 | 112.3 | V255 F256 V257 Q261 A262 V263 | V255-F259 WeakPolarHBondContact O-CB 3.08Å; V255-F259 PolarHBondContact O-N 2.87Å; F256-F259 PolarHBondContact O-N 3.49Å; V257-F259 VanDerWaalsContact C-N 3.32Å; V257-F259 PolarHBondContact O-N 3.33Å; F259-Q261 VanDerWaalsContact C-N 3.25Å; F259-Q261 PolarHBondContact O-N 3.24Å; F259-A262 WeakPolarHBondContact O-CB 2.94Å; F259-A262 PolarHBondContact O-N 2.93Å; F259-V263 HydrophobicContact CD1-CG2 4.4Å; F259-V263 HydrophobicContact CE1-CG2 3.89Å; F259-V263 HydrophobicContact CE2-CG2 4.28Å; F259-V263 HydrophobicContact CZ-CG2 3.83Å; F259-V263 WeakPolarHBondContact O-CG2 3.44Å; F259-V263 PolarHBondContact O-N 2.97Å |
| 260 | W | 82.8 | Confident | 80.1 | Confident | 129 Ų | 129 | 56.8 Ų | 56.8 | 49% | 0.489 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.4 | -32.1 | 178.9 | -83.5 | 101 | 0 | 0 | 0 | 112.3 | F256 V257 V263 V264 | F256-W260 AromaticContact CD1-CD1 3.59Å; F256-W260 AromaticContact CD1-NE1 3.97Å; F256-W260 AromaticContact CD2-NE1 3.9Å; F256-W260 AromaticContact CE1-CD1 3.31Å; F256-W260 HydrophobicContact CE1-CG 4.45Å; F256-W260 AromaticContact CE1-NE1 3.29Å; F256-W260 VanDerWaalsContact CE1-NE1 3.29Å; F256-W260 AromaticContact CE2-CD1 3.78Å; F256-W260 AromaticContact CE2-NE1 3.22Å; F256-W260 AromaticContact CG-CD1 3.96Å; F256-W260 AromaticContact CZ-CD1 3.45Å; F256-W260 VanDerWaalsContact CZ-CD1 3.45Å; F256-W260 AromaticContact CZ-CE2 3.98Å; F256-W260 AromaticContact CZ-NE1 2.9Å; F256-W260 PolarHBondContact O-N 3.49Å; V257-W260 PolarHBondContact O-N 3.2Å; W260-V263 PolarHBondContact O-N 3.33Å; W260-V264 WeakPolarHBondContact O-CB 3.45Å; W260-V264 VanDerWaalsContact O-CG2 3.24Å; W260-V264 WeakPolarHBondContact O-CG2 3.47Å; W260-V264 PolarHBondContact O-N 3.36Å |
| 261 | Q | 84.3 | Confident | 80.5 | Confident | 31 Ų | 31 | 61.1 Ų | 61.1 | 15% | 0.145 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.7 | -48 | 171.4 | -74.4 | 168.9 | -13.5 | 0 | 0 | 111.8 | V257 S258 F259 V263 V264 I265 E300 | V257-Q261 HydrophobicContact CG1-CG 4.33Å; V257-Q261 WeakPolarHBondContact O-CB 3.38Å; V257-Q261 WeakPolarHBondContact O-CG 3.2Å; V257-Q261 PolarHBondContact O-N 2.87Å; S258-Q261 WeakPolarHBondContact O-CB 3.29Å; S258-Q261 PolarHBondContact O-N 3.02Å; F259-Q261 VanDerWaalsContact C-N 3.25Å; F259-Q261 PolarHBondContact O-N 3.24Å; Q261-V263 VanDerWaalsContact C-N 3.28Å; Q261-V263 PolarHBondContact O-N 2.7Å; Q261-V264 PolarHBondContact O-N 3.01Å; Q261-I265 WeakPolarHBondContact O-CB 3.37Å; Q261-I265 WeakPolarHBondContact O-CG1 3Å; Q261-I265 PolarHBondContact O-N 3.39Å; Q261-E300 PolarHBondContact NE2-OE1 2.83Å; Q261-E300 PolarHBondContact OE1-OE2 3.21Å |
| 262 | A | 81.5 | Confident | 80.3 | Confident | 30 Ų | 30 | 62.5 Ų | 62.5 | 25% | 0.248 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -55.5 | -45.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S258 F259 I265 A266 | S258-A262 PolarHBondContact O-N 3.2Å; F259-A262 WeakPolarHBondContact O-CB 2.94Å; F259-A262 PolarHBondContact O-N 2.93Å; A262-I265 PolarHBondContact O-N 3.45Å; A262-A266 VanDerWaalsContact O-CB 3.25Å; A262-A266 WeakPolarHBondContact O-CB 3.24Å; A262-A266 PolarHBondContact O-N 3.47Å |
| 263 | V | 81.2 | Confident | 79.9 | Confident | 61 Ų | 61 | 65.9 Ų | 65.9 | 37% | 0.37 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 177.9 | 174.6 | 0 | 0 | 0 | 0 | 112 | F259 W260 Q261 A266 L267 | F259-V263 HydrophobicContact CD1-CG2 4.4Å; F259-V263 HydrophobicContact CE1-CG2 3.89Å; F259-V263 HydrophobicContact CE2-CG2 4.28Å; F259-V263 HydrophobicContact CZ-CG2 3.83Å; F259-V263 WeakPolarHBondContact O-CG2 3.44Å; F259-V263 PolarHBondContact O-N 2.97Å; W260-V263 PolarHBondContact O-N 3.33Å; Q261-V263 VanDerWaalsContact C-N 3.28Å; Q261-V263 PolarHBondContact O-N 2.7Å; V263-A266 PolarHBondContact O-N 3.36Å; V263-L267 WeakPolarHBondContact O-CB 3.19Å; V263-L267 PolarHBondContact O-N 3Å |
| 264 | V | 85.4 | Confident | 79.1 | Confident | 73 Ų | 73 | 63.8 Ų | 63.8 | 44% | 0.442 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.6 | -45.9 | 179 | 168.3 | 0 | 0 | 0 | 0 | 110.4 | W260 Q261 A266 L267 L268 | W260-V264 WeakPolarHBondContact O-CB 3.45Å; W260-V264 VanDerWaalsContact O-CG2 3.24Å; W260-V264 WeakPolarHBondContact O-CG2 3.47Å; W260-V264 PolarHBondContact O-N 3.36Å; Q261-V264 PolarHBondContact O-N 3.01Å; V264-A266 PolarHBondContact O-N 2.87Å; V264-L267 WeakPolarHBondContact O-CB 3.34Å; V264-L267 PolarHBondContact O-N 3.23Å; V264-L268 HydrophobicContact CG1-CD1 3.74Å; V264-L268 WeakPolarHBondContact O-CD1 3.38Å; V264-L268 PolarHBondContact O-N 3.47Å |
| 265 | I | 84.7 | Confident | 77.8 | Confident | 11 Ų | 11 | 66.6 Ų | 66.6 | 6% | 0.056 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 178 | -65.8 | 167.3 | 0 | 0 | 0 | 110.3 | Q261 A262 L267 L268 V269 A289 L292 Q293 I296 | Q261-I265 WeakPolarHBondContact O-CB 3.37Å; Q261-I265 WeakPolarHBondContact O-CG1 3Å; Q261-I265 PolarHBondContact O-N 3.39Å; A262-I265 PolarHBondContact O-N 3.45Å; I265-L267 VanDerWaalsContact C-N 3.29Å; I265-L267 PolarHBondContact O-N 2.77Å; I265-L268 WeakPolarHBondContact O-CB 3.31Å; I265-L268 PolarHBondContact O-N 2.59Å; I265-L268 VanDerWaalsContact O-N 3.11Å; I265-V269 WeakPolarHBondContact O-CG2 3.2Å; I265-V269 PolarHBondContact O-N 2.88Å; I265-A289 HydrophobicContact CG2-CB 3.42Å; I265-A289 VanDerWaalsContact CG2-CB 3.42Å; I265-L292 HydrophobicContact CD1-CD2 4.48Å; I265-L292 HydrophobicContact CD1-CG 4.37Å; I265-L292 HydrophobicContact CG1-CD2 4.46Å; I265-Q293 HydrophobicContact CD1-CB 3.76Å; I265-Q293 HydrophobicContact CD1-CG 4.33Å; I265-I296 HydrophobicContact CD1-CD1 4.43Å |
| 266 | A | 78.2 | Confident | 76.7 | Confident | 50 Ų | 50 | 72.8 Ų | 72.8 | 41% | 0.413 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.9 | -37.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | A262 V263 V264 K270 | A262-A266 VanDerWaalsContact O-CB 3.25Å; A262-A266 WeakPolarHBondContact O-CB 3.24Å; A262-A266 PolarHBondContact O-N 3.47Å; V263-A266 PolarHBondContact O-N 3.36Å; V264-A266 PolarHBondContact O-N 2.87Å; A266-K270 WeakPolarHBondContact O-CG 3.37Å; A266-K270 PolarHBondContact O-N 3.42Å |
| 267 | L | 81.6 | Confident | 75.2 | Confident | 103 Ų | 103 | 76.7 Ų | 76.7 | 54% | 0.539 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.9 | -42.6 | 173.2 | -175.2 | 68.8 | 0 | 0 | 0 | 111.4 | V263 V264 I265 V269 K270 V271 | V263-L267 WeakPolarHBondContact O-CB 3.19Å; V263-L267 PolarHBondContact O-N 3Å; V264-L267 WeakPolarHBondContact O-CB 3.34Å; V264-L267 PolarHBondContact O-N 3.23Å; I265-L267 VanDerWaalsContact C-N 3.29Å; I265-L267 PolarHBondContact O-N 2.77Å; L267-V269 VanDerWaalsContact C-N 3.31Å; L267-V269 PolarHBondContact O-N 3.26Å; L267-K270 PolarHBondContact O-N 3.36Å; L267-K270 VanDerWaalsContact O-N 3.17Å; L267-V271 HydrophobicContact CD1-CG2 4.33Å; L267-V271 HydrophobicContact CG-CG2 4.29Å; L267-V271 VanDerWaalsContact O-CG2 3.27Å; L267-V271 WeakPolarHBondContact O-CG2 3.33Å; L267-V271 PolarHBondContact O-N 3.06Å |
| 268 | L | 81.6 | Confident | 73.7 | Confident | 66 Ų | 66 | 81.4 Ų | 81.4 | 35% | 0.346 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62 | -37.9 | 177.1 | -94.3 | 72.7 | 0 | 0 | 0 | 112.4 | V264 I265 G272 V273 I274 | V264-L268 HydrophobicContact CG1-CD1 3.74Å; V264-L268 WeakPolarHBondContact O-CD1 3.38Å; V264-L268 PolarHBondContact O-N 3.47Å; I265-L268 WeakPolarHBondContact O-CB 3.31Å; I265-L268 PolarHBondContact O-N 2.59Å; I265-L268 VanDerWaalsContact O-N 3.11Å; L268-G272 PolarHBondContact O-N 3.05Å; L268-V273 PolarHBondContact O-N 3.35Å; L268-I274 HydrophobicContact CB-CD1 4.2Å |
| 269 | V | 78.8 | Confident | 72.1 | Confident | 35 Ų | 35 | 84.2 Ų | 84.2 | 21% | 0.212 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.8 | -49.3 | 171.4 | 170.5 | 0 | 0 | 0 | 0 | 110.4 | I265 L267 V271 G272 I274 V285 A289 | I265-V269 WeakPolarHBondContact O-CG2 3.2Å; I265-V269 PolarHBondContact O-N 2.88Å; L267-V269 VanDerWaalsContact C-N 3.31Å; L267-V269 PolarHBondContact O-N 3.26Å; V269-V271 PolarHBondContact O-N 2.82Å; V269-G272 PolarHBondContact O-N 2.85Å; V269-I274 HydrophobicContact CG2-CB 4.38Å; V269-I274 HydrophobicContact CG2-CD1 3.95Å; V269-V285 HydrophobicContact CB-CG1 4.36Å; V269-V285 HydrophobicContact CG1-CG1 3.61Å; V269-V285 HydrophobicContact CG2-CG1 3.97Å; V269-A289 HydrophobicContact CG2-CB 3.89Å |
| 270 | K | 76.3 | Confident | 70.9 | Confident | 167 Ų | 167 | 85.6 Ų | 85.6 | 73% | 0.726 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -64.1 | -35.9 | 179.5 | -76.3 | -172.7 | 177.8 | -178.7 | 0 | 114.2 | A266 L267 G272 | A266-K270 WeakPolarHBondContact O-CG 3.37Å; A266-K270 PolarHBondContact O-N 3.42Å; L267-K270 PolarHBondContact O-N 3.36Å; L267-K270 VanDerWaalsContact O-N 3.17Å; K270-G272 PolarHBondContact O-N 3.45Å |
| 271 | V | 82.6 | Confident | 69.2 | Low | 104 Ų | 104 | 86 Ų | 86 | 63% | 0.63 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -9.7 | 176.7 | 176.7 | 0 | 0 | 0 | 0 | 111.3 | L267 V269 V273 | L267-V271 HydrophobicContact CD1-CG2 4.33Å; L267-V271 HydrophobicContact CG-CG2 4.29Å; L267-V271 VanDerWaalsContact O-CG2 3.27Å; L267-V271 WeakPolarHBondContact O-CG2 3.33Å; L267-V271 PolarHBondContact O-N 3.06Å; V269-V271 PolarHBondContact O-N 2.82Å; V271-V273 VanDerWaalsContact C-N 3.28Å; V271-V273 HydrophobicContact CB-CG2 4.36Å; V271-V273 HydrophobicContact CG1-CG2 3.96Å; V271-V273 PolarHBondContact O-N 3.43Å |
| 272 | G | 70.2 | Confident | 67.5 | Low | 40 Ų | 40 | 87 Ų | 87 | 41% | 0.412 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 15.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L268 V269 K270 | L268-G272 PolarHBondContact O-N 3.05Å; V269-G272 PolarHBondContact O-N 2.85Å; K270-G272 PolarHBondContact O-N 3.45Å |
| 273 | V | 70.9 | Confident | 66.1 | Low | 106 Ų | 106 | 94.9 Ų | 94.9 | 64% | 0.642 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -64.3 | -37 | 171.5 | 178.3 | 0 | 0 | 0 | 0 | 109.7 | L268 V271 S275 | L268-V273 PolarHBondContact O-N 3.35Å; V271-V273 VanDerWaalsContact C-N 3.28Å; V271-V273 HydrophobicContact CB-CG2 4.36Å; V271-V273 HydrophobicContact CG1-CG2 3.96Å; V271-V273 PolarHBondContact O-N 3.43Å; V273-S275 PolarHBondContact O-N 3.4Å |
| 274 | I | 62.3 | Low | 65.3 | Low | 41 Ų | 41 | 95.6 Ų | 95.6 | 21% | 0.21 | 50% | 0.497 | C | S | . | . | S | Bend | trans | -95 | 83.1 | 170 | -55.1 | 171.3 | 0 | 0 | 0 | 106.6 | L268 V269 V285 V288 | L268-I274 HydrophobicContact CB-CD1 4.2Å; V269-I274 HydrophobicContact CG2-CB 4.38Å; V269-I274 HydrophobicContact CG2-CD1 3.95Å; I274-V285 HydrophobicContact CG2-CG1 3.94Å; I274-V288 HydrophobicContact CG2-CG1 4.46Å |
| 275 | S | 50.9 | Low | 64.6 | Low | 66 Ų | 66 | 92.8 Ų | 92.8 | 46% | 0.462 | 48% | 0.48 | S | S | . | . | trans | -92.1 | 142.6 | -176 | -168.2 | 0 | 0 | 0 | 0 | 112.3 | V273 K277 H278 | V273-S275 PolarHBondContact O-N 3.4Å; S275-K277 PolarHBondContact O-N 2.86Å; S275-H278 PolarHBondContact O-N 3.33Å; S275-H278 VanDerWaalsContact O-N 3.12Å | ||
| 276 | E | 53.3 | Low | 63.8 | Low | 143 Ų | 143 | 97.7 Ų | 97.7 | 67% | 0.668 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -50.7 | -27.7 | 177.8 | -71 | -177.1 | 171.3 | 0 | 0 | 114.4 | H278 T279 V285 | E276-H278 PolarHBondContact O-N 2.99Å; E276-T279 WeakPolarHBondContact O-CB 3.22Å; E276-T279 WeakPolarHBondContact O-CG2 3.37Å; E276-T279 PolarHBondContact O-N 2.87Å; E276-T279 PolarHBondContact O-OG1 2.98Å; E276-V285 HydrophobicContact CG-CG2 3.68Å |
| 277 | K | 49.3 | Very low | 63.5 | Low | 195 Ų | 195 | 96.8 Ų | 96.8 | 85% | 0.848 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -68.9 | -11.7 | -178.3 | -72.9 | -175.9 | 178 | 179.9 | 0 | 114.7 | S275 | S275-K277 PolarHBondContact O-N 2.86Š|
| 278 | H | 50.9 | Low | 63.2 | Low | 139 Ų | 139 | 93.2 Ų | 93.2 | 64% | 0.644 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -108.9 | 11.5 | 173.1 | -98.2 | 48.7 | 0 | 0 | 0 | 112.1 | S275 E276 W280 | S275-H278 PolarHBondContact O-N 3.33Å; S275-H278 VanDerWaalsContact O-N 3.12Å; E276-H278 PolarHBondContact O-N 2.99Å; H278-W280 PolarHBondContact O-N 3Å; H278-W280 PolarHBondContact O-NE1 3.36Å; H278-W280 VanDerWaalsContact O-NE1 3.1Å |
| 279 | T | 47 | Very low | 63.1 | Low | 78 Ų | 78 | 90.7 Ų | 90.7 | 48% | 0.479 | 47% | 0.466 | S | S | . | . | trans | -40.4 | 94.5 | -175.6 | 29.6 | 0 | 0 | 0 | 0 | 113 | E276 E281 | E276-T279 WeakPolarHBondContact O-CB 3.22Å; E276-T279 WeakPolarHBondContact O-CG2 3.37Å; E276-T279 PolarHBondContact O-N 2.87Å; E276-T279 PolarHBondContact O-OG1 2.98Å; T279-E281 PolarHBondContact O-N 3.17Å | ||
| 280 | W | 54.6 | Low | 63.1 | Low | 129 Ų | 129 | 92 Ų | 92 | 49% | 0.489 | 47% | 0.474 | S | S | . | . | trans | -73.2 | 90.9 | 178.6 | -57.3 | 69.2 | 0 | 0 | 0 | 105.2 | I44 H45 H278 W282 | I44-W280 HydrophobicContact CB-CE3 3.93Å; I44-W280 HydrophobicContact CB-CZ3 4.29Å; I44-W280 HydrophobicContact CD1-CE3 3.36Å; I44-W280 HydrophobicContact CD1-CZ3 3.51Å; I44-W280 HydrophobicContact CG1-CE3 3.7Å; I44-W280 HydrophobicContact CG1-CZ3 3.67Å; I44-W280 HydrophobicContact CG2-CE3 3.85Å; I44-W280 HydrophobicContact CG2-CZ3 4.07Å; H45-W280 PolarHBondContact CE1-O 3.1Å; H45-W280 PolarHBondContact NE2-O 3.11Å; H278-W280 PolarHBondContact O-N 3Å; H278-W280 PolarHBondContact O-NE1 3.36Å; H278-W280 VanDerWaalsContact O-NE1 3.1Å; W280-W282 PolarHBondContact O-N 3.05Å | ||
| 281 | E | 47.5 | Very low | 63.4 | Low | 139 Ų | 139 | 84.4 Ų | 84.4 | 65% | 0.65 | 44% | 0.444 | S | S | * | . | S | Bend | trans | 49.1 | -20.3 | 173.2 | -74.3 | 179.7 | 150.6 | 0 | 0 | 120.3 | G43 H45 T279 | G43-E281 VanDerWaalsContact CA-OE2 3.29Å; G43-E281 WeakPolarHBondContact CA-OE2 3.45Å; H45-E281 IonicContact CD2-OE2 3.41Å; H45-E281 PolarHBondContact CD2-OE2 3.25Å; H45-E281 IonicContact NE2-OE2 3.96Å; T279-E281 PolarHBondContact O-N 3.17Å |
| 282 | W | 49.2 | Very low | 63.5 | Low | 50 Ų | 50 | 82.9 Ų | 82.9 | 19% | 0.189 | 43% | 0.432 | C | S | . | . | trans | -77.6 | 128.9 | 172.4 | -62.3 | 95.7 | 0 | 0 | 0 | 109.1 | H45 P104 W280 T284 A287 V288 | H45-W282 AromaticContact CD2-NE1 3.82Å; H45-W282 AromaticContact CE1-CD1 3.04Å; H45-W282 AromaticContact CE1-CE2 3.85Å; H45-W282 AromaticContact CE1-NE1 2.79Å; H45-W282 PolarHBondContact CE1-NE1 2.78Å; H45-W282 AromaticContact CG-CE2 3.91Å; H45-W282 AromaticContact CG-NE1 3.55Å; H45-W282 AromaticContact ND1-CD1 3.63Å; H45-W282 AromaticContact ND1-CE2 3.59Å; H45-W282 AromaticContact ND1-CZ2 3.95Å; H45-W282 AromaticContact ND1-NE1 2.87Å; H45-W282 PolarHBondContact ND1-NE1 3.16Å; H45-W282 AromaticContact NE2-CD1 3.3Å; H45-W282 VanDerWaalsContact NE2-CD1 3.3Å; H45-W282 AromaticContact NE2-NE1 3.39Å; H45-W282 PolarHBondContact NE2-NE1 3.27Å; P104-W282 HydrophobicContact CG-CH2 4.13Å; P104-W282 HydrophobicContact CG-CZ3 3.64Å; W280-W282 PolarHBondContact O-N 3.05Å; W282-T284 PolarHBondContact O-N 3.22Å; W282-T284 VanDerWaalsContact O-N 3.11Å; W282-A287 HydrophobicContact CB-CB 4.37Å; W282-A287 HydrophobicContact CD2-CB 4.08Å; W282-A287 HydrophobicContact CE3-CB 3.46Å; W282-A287 VanDerWaalsContact CE3-CB 3.46Å; W282-A287 HydrophobicContact CG-CB 4.47Å; W282-A287 HydrophobicContact CZ3-CB 4.1Å; W282-V288 HydrophobicContact CB-CG2 3.63Å; W282-V288 HydrophobicContact CG-CG2 3.73Å | ||
| 283 | Q | 52.2 | Low | 64.3 | Low | 196 Ų | 196 | 83 Ų | 83 | 92% | 0.916 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -68.4 | -6.8 | -178.7 | -67.9 | -177.9 | -19.5 | 0 | 0 | 113.5 | ||
| 284 | T | 64.3 | Low | 65.2 | Low | 77 Ų | 77 | 78 Ų | 78 | 47% | 0.472 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -151.7 | 145.7 | -175.4 | -21.7 | 0 | 0 | 0 | 0 | 111.6 | W282 E286 A287 | W282-T284 PolarHBondContact O-N 3.22Å; W282-T284 VanDerWaalsContact O-N 3.11Å; T284-E286 VanDerWaalsContact C-N 3.26Å; T284-E286 WeakPolarHBondContact CG2-OE2 3.31Å; T284-E286 PolarHBondContact O-N 3.07Å; T284-A287 PolarHBondContact O-N 3.26Å |
| 285 | V | 69.6 | Low | 66.4 | Low | 14 Ų | 14 | 78.2 Ų | 78.2 | 9% | 0.085 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.6 | -31.2 | -175.5 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | V269 I274 E276 V288 A289 | V269-V285 HydrophobicContact CB-CG1 4.36Å; V269-V285 HydrophobicContact CG1-CG1 3.61Å; V269-V285 HydrophobicContact CG2-CG1 3.97Å; I274-V285 HydrophobicContact CG2-CG1 3.94Å; E276-V285 HydrophobicContact CG-CG2 3.68Å; V285-V288 WeakPolarHBondContact O-CB 3.29Å; V285-V288 PolarHBondContact O-N 3.05Å; V285-A289 PolarHBondContact O-N 3.1Å; V285-A289 VanDerWaalsContact O-N 3.15Å |
| 286 | E | 69.1 | Low | 68.3 | Low | 114 Ų | 114 | 77.3 Ų | 77.3 | 53% | 0.533 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 178.2 | -65.2 | 72.7 | -163.2 | 0 | 0 | 111.1 | T284 V288 A289 T290 | T284-E286 VanDerWaalsContact C-N 3.26Å; T284-E286 WeakPolarHBondContact CG2-OE2 3.31Å; T284-E286 PolarHBondContact O-N 3.07Å; E286-V288 VanDerWaalsContact C-N 3.32Å; E286-V288 PolarHBondContact O-N 2.73Å; E286-A289 WeakPolarHBondContact O-CB 3.27Å; E286-A289 PolarHBondContact O-N 3.39Å; E286-T290 PolarHBondContact O-N 2.78Å; E286-T290 PolarHBondContact O-OG1 3.35Å; E286-T290 VanDerWaalsContact O-OG1 3.1Å |
| 287 | A | 71.5 | Confident | 70.1 | Confident | 30 Ų | 30 | 70.6 Ų | 70.6 | 25% | 0.248 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.8 | -33.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | W282 T284 G291 | W282-A287 HydrophobicContact CB-CB 4.37Å; W282-A287 HydrophobicContact CD2-CB 4.08Å; W282-A287 HydrophobicContact CE3-CB 3.46Å; W282-A287 VanDerWaalsContact CE3-CB 3.46Å; W282-A287 HydrophobicContact CG-CB 4.47Å; W282-A287 HydrophobicContact CZ3-CB 4.1Å; T284-A287 PolarHBondContact O-N 3.26Å; A287-G291 PolarHBondContact O-N 3.29Å |
| 288 | V | 75.4 | Confident | 72.1 | Confident | 29 Ų | 29 | 61.4 Ų | 61.4 | 18% | 0.176 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 172.5 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | I274 W282 V285 E286 L292 | I274-V288 HydrophobicContact CG2-CG1 4.46Å; W282-V288 HydrophobicContact CB-CG2 3.63Å; W282-V288 HydrophobicContact CG-CG2 3.73Å; V285-V288 WeakPolarHBondContact O-CB 3.29Å; V285-V288 PolarHBondContact O-N 3.05Å; E286-V288 VanDerWaalsContact C-N 3.32Å; E286-V288 PolarHBondContact O-N 2.73Å; V288-L292 WeakPolarHBondContact O-CB 3.3Å; V288-L292 PolarHBondContact O-N 3.41Å |
| 289 | A | 78.8 | Confident | 73.9 | Confident | 12 Ų | 12 | 57.3 Ų | 57.3 | 10% | 0.099 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.4 | -48 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I265 V269 V285 E286 L292 Q293 | I265-A289 HydrophobicContact CG2-CB 3.42Å; I265-A289 VanDerWaalsContact CG2-CB 3.42Å; V269-A289 HydrophobicContact CG2-CB 3.89Å; V285-A289 PolarHBondContact O-N 3.1Å; V285-A289 VanDerWaalsContact O-N 3.15Å; E286-A289 WeakPolarHBondContact O-CB 3.27Å; E286-A289 PolarHBondContact O-N 3.39Å; A289-L292 PolarHBondContact O-N 2.82Å; A289-Q293 PolarHBondContact O-N 3.3Å |
| 290 | T | 79.3 | Confident | 76.1 | Confident | 62 Ų | 62 | 55.3 Ų | 55.3 | 38% | 0.38 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.5 | -46.5 | 176.9 | -53.4 | 0 | 0 | 0 | 0 | 111.3 | E286 L292 Q293 D294 | E286-T290 PolarHBondContact O-N 2.78Å; E286-T290 PolarHBondContact O-OG1 3.35Å; E286-T290 VanDerWaalsContact O-OG1 3.1Å; T290-L292 VanDerWaalsContact C-N 3.32Å; T290-L292 PolarHBondContact O-N 2.95Å; T290-Q293 WeakPolarHBondContact O-CB 3.32Å; T290-Q293 PolarHBondContact O-N 2.9Å; T290-Q293 VanDerWaalsContact O-N 3.11Å; T290-D294 PolarHBondContact O-N 3.37Å |
| 291 | G | 82.4 | Confident | 77.9 | Confident | 9 Ų | 9 | 49.2 Ų | 49.2 | 9% | 0.093 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.2 | -37 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L101 A287 F295 | L101-G291 WeakPolarHBondContact CD2-O 3.45Å; A287-G291 PolarHBondContact O-N 3.29Å; G291-F295 WeakPolarHBondContact O-CB 3.44Å; G291-F295 PolarHBondContact O-N 3.47Å |
| 292 | L | 84.9 | Confident | 80 | Confident | 72 Ų | 72 | 44.6 Ų | 44.6 | 38% | 0.377 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.8 | -40.3 | 174 | -178.8 | 62.3 | 0 | 0 | 0 | 111.7 | I265 V288 A289 T290 F295 I296 | I265-L292 HydrophobicContact CD1-CD2 4.48Å; I265-L292 HydrophobicContact CD1-CG 4.37Å; I265-L292 HydrophobicContact CG1-CD2 4.46Å; V288-L292 WeakPolarHBondContact O-CB 3.3Å; V288-L292 PolarHBondContact O-N 3.41Å; A289-L292 PolarHBondContact O-N 2.82Å; T290-L292 VanDerWaalsContact C-N 3.32Å; T290-L292 PolarHBondContact O-N 2.95Å; L292-F295 PolarHBondContact O-N 3.34Å; L292-I296 HydrophobicContact CD1-CD1 4.27Å; L292-I296 HydrophobicContact CG-CD1 4.1Å; L292-I296 VanDerWaalsContact O-CG1 3.29Å; L292-I296 WeakPolarHBondContact O-CG1 3.36Å; L292-I296 PolarHBondContact O-N 3.26Å |
| 293 | Q | 87.9 | Confident | 82 | Confident | 41 Ų | 41 | 47.3 Ų | 47.3 | 19% | 0.192 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.5 | -49.5 | 176.1 | -173 | -178.4 | -55.6 | 0 | 0 | 111.1 | I265 A289 T290 F295 I296 I297 | I265-Q293 HydrophobicContact CD1-CB 3.76Å; I265-Q293 HydrophobicContact CD1-CG 4.33Å; A289-Q293 PolarHBondContact O-N 3.3Å; T290-Q293 WeakPolarHBondContact O-CB 3.32Å; T290-Q293 PolarHBondContact O-N 2.9Å; T290-Q293 VanDerWaalsContact O-N 3.11Å; Q293-F295 VanDerWaalsContact C-N 3.31Å; Q293-F295 PolarHBondContact O-N 3.23Å; Q293-I296 PolarHBondContact O-N 3.34Å; Q293-I296 VanDerWaalsContact O-N 3.14Å; Q293-I297 HydrophobicContact CG-CD1 4Å; Q293-I297 VanDerWaalsContact O-CG1 3.31Å; Q293-I297 WeakPolarHBondContact O-CG1 3.36Å; Q293-I297 PolarHBondContact O-N 2.95Å |
| 294 | D | 88.4 | Confident | 83.8 | Confident | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.8 | -39.1 | 178.7 | -72.6 | -36.3 | 0 | 0 | 0 | 112.5 | A100 L101 R114 T290 I296 I297 C298 | A100-D294 VanDerWaalsContact CB-OD2 3.31Å; A100-D294 WeakPolarHBondContact CB-OD2 3.42Å; L101-D294 HydrophobicContact CD2-CB 4.16Å; L101-D294 HydrophobicContact CG-CB 3.85Å; R114-D294 IonicContact NH2-OD1 3.05Å; T290-D294 PolarHBondContact O-N 3.37Å; D294-I296 PolarHBondContact O-N 3.34Å; D294-I297 PolarHBondContact O-N 2.73Å; D294-C298 PolarHBondContact O-N 3.16Å; D294-C298 VanDerWaalsContact O-N 3.07Å; D294-C298 PolarHBondContact O-SG 3.41Å; D294-C298 VanDerWaalsContact O-SG 3.42Å |
| 295 | F | 89 | Confident | 85 | Confident | 44 Ų | 44 | 34.8 Ų | 34.8 | 19% | 0.193 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.4 | -45.3 | 173.7 | 175.7 | -100.6 | 0 | 0 | 0 | 112.2 | A48 I51 A52 L101 G291 L292 Q293 C298 I299 | A48-F295 HydrophobicContact CB-CD2 4.2Å; A48-F295 WeakPolarHBondContact O-CD2 3.39Å; I51-F295 HydrophobicContact CB-CE2 3.95Å; I51-F295 HydrophobicContact CG2-CE2 3.72Å; I51-F295 HydrophobicContact CG2-CZ 3.9Å; A52-F295 HydrophobicContact CB-CD2 4.06Å; A52-F295 HydrophobicContact CB-CE2 4.49Å; L101-F295 HydrophobicContact CD1-CB 4.46Å; L101-F295 HydrophobicContact CD2-CB 4.41Å; G291-F295 WeakPolarHBondContact O-CB 3.44Å; G291-F295 PolarHBondContact O-N 3.47Å; L292-F295 PolarHBondContact O-N 3.34Å; Q293-F295 VanDerWaalsContact C-N 3.31Å; Q293-F295 PolarHBondContact O-N 3.23Å; F295-C298 PolarHBondContact O-N 3.25Å; F295-I299 HydrophobicContact CD1-CD1 4.4Å; F295-I299 HydrophobicContact CE1-CD1 3.75Å; F295-I299 HydrophobicContact CZ-CD1 3.93Å |
| 296 | I | 90.4 | Very high | 86 | Confident | 48 Ų | 48 | 36.9 Ų | 36.9 | 25% | 0.246 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.5 | -44.2 | 177.9 | -66 | 166.2 | 0 | 0 | 0 | 110 | I265 L292 Q293 D294 C298 I299 E300 | I265-I296 HydrophobicContact CD1-CD1 4.43Å; L292-I296 HydrophobicContact CD1-CD1 4.27Å; L292-I296 HydrophobicContact CG-CD1 4.1Å; L292-I296 VanDerWaalsContact O-CG1 3.29Å; L292-I296 WeakPolarHBondContact O-CG1 3.36Å; L292-I296 PolarHBondContact O-N 3.26Å; Q293-I296 PolarHBondContact O-N 3.34Å; Q293-I296 VanDerWaalsContact O-N 3.14Å; D294-I296 PolarHBondContact O-N 3.34Å; I296-C298 VanDerWaalsContact C-N 3.27Å; I296-C298 PolarHBondContact O-N 2.97Å; I296-I299 WeakPolarHBondContact O-CA 3.3Å; I296-I299 WeakPolarHBondContact O-CB 3.39Å; I296-I299 PolarHBondContact O-N 3.27Å; I296-E300 HydrophobicContact CG2-CG 4.15Å; I296-E300 WeakPolarHBondContact O-CG 3.46Å; I296-E300 PolarHBondContact O-N 3.07Å |
| 297 | I | 90.6 | Very high | 86.9 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.4 | -41.1 | 177.9 | -68.5 | 166.4 | 0 | 0 | 0 | 111.2 | S97 Q293 D294 I299 E300 M301 | S97-I297 WeakPolarHBondContact OG-CG2 3.42Å; Q293-I297 HydrophobicContact CG-CD1 4Å; Q293-I297 VanDerWaalsContact O-CG1 3.31Å; Q293-I297 WeakPolarHBondContact O-CG1 3.36Å; Q293-I297 PolarHBondContact O-N 2.95Å; D294-I297 PolarHBondContact O-N 2.73Å; I297-I299 VanDerWaalsContact C-N 3.27Å; I297-I299 PolarHBondContact O-N 2.82Å; I297-E300 PolarHBondContact O-N 3.19Å; I297-E300 VanDerWaalsContact O-N 3.15Å; I297-M301 HydrophobicContact CG2-CE 4.23Å; I297-M301 HydrophobicContact CG2-CG 4.02Å; I297-M301 VanDerWaalsContact O-CG 3.32Å; I297-M301 WeakPolarHBondContact O-CG 3.33Å; I297-M301 PolarHBondContact O-N 3.37Å |
| 298 | C | 90.5 | Very high | 87.7 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.007 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.2 | -39 | 175.8 | -70.2 | 0 | 0 | 0 | 0 | 113 | A52 D294 F295 I296 F302 | A52-C298 HydrophobicContact CB-CB 4.04Å; D294-C298 PolarHBondContact O-N 3.16Å; D294-C298 VanDerWaalsContact O-N 3.07Å; D294-C298 PolarHBondContact O-SG 3.41Å; D294-C298 VanDerWaalsContact O-SG 3.42Å; F295-C298 PolarHBondContact O-N 3.25Å; I296-C298 VanDerWaalsContact C-N 3.27Å; I296-C298 PolarHBondContact O-N 2.97Å; C298-F302 PolarHBondContact O-N 3.01Å |
| 299 | I | 90.3 | Very high | 88.2 | Confident | 53 Ų | 53 | 33.6 Ų | 33.6 | 27% | 0.272 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -71.1 | -41.3 | 176.9 | -60.3 | 173.3 | 0 | 0 | 0 | 110.4 | F55 F295 I296 I297 M301 F302 L303 | F55-I299 HydrophobicContact CD1-CG1 4.44Å; F55-I299 HydrophobicContact CD2-CG1 3.77Å; F55-I299 HydrophobicContact CE1-CG1 4.41Å; F55-I299 HydrophobicContact CE1-CG2 4.4Å; F55-I299 HydrophobicContact CE2-CD1 4.13Å; F55-I299 HydrophobicContact CE2-CG1 3.73Å; F55-I299 HydrophobicContact CG-CG1 4.14Å; F55-I299 HydrophobicContact CZ-CD1 4.47Å; F55-I299 HydrophobicContact CZ-CG1 4.07Å; F295-I299 HydrophobicContact CD1-CD1 4.4Å; F295-I299 HydrophobicContact CE1-CD1 3.75Å; F295-I299 HydrophobicContact CZ-CD1 3.93Å; I296-I299 WeakPolarHBondContact O-CA 3.3Å; I296-I299 WeakPolarHBondContact O-CB 3.39Å; I296-I299 PolarHBondContact O-N 3.27Å; I297-I299 VanDerWaalsContact C-N 3.27Å; I297-I299 PolarHBondContact O-N 2.82Å; I299-M301 VanDerWaalsContact C-N 3.33Å; I299-M301 PolarHBondContact O-N 3.34Å; I299-F302 WeakPolarHBondContact O-CB 3.24Å; I299-F302 PolarHBondContact O-N 3.4Å; I299-L303 PolarHBondContact O-N 3.39Å |
| 300 | E | 91.6 | Very high | 88.5 | Confident | 37 Ų | 37 | 41.5 Ų | 41.5 | 17% | 0.173 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.7 | -38.9 | 178.6 | -62.6 | -159.3 | 139.8 | 0 | 0 | 112.7 | V257 Q261 I296 I297 F302 L303 A304 | V257-E300 WeakPolarHBondContact CG1-OE1 3.49Å; Q261-E300 PolarHBondContact NE2-OE1 2.83Å; Q261-E300 PolarHBondContact OE1-OE2 3.21Å; I296-E300 HydrophobicContact CG2-CG 4.15Å; I296-E300 WeakPolarHBondContact O-CG 3.46Å; I296-E300 PolarHBondContact O-N 3.07Å; I297-E300 PolarHBondContact O-N 3.19Å; I297-E300 VanDerWaalsContact O-N 3.15Å; E300-F302 PolarHBondContact O-N 3.41Å; E300-L303 PolarHBondContact O-N 2.79Å; E300-L303 VanDerWaalsContact O-N 3.14Å; E300-A304 WeakPolarHBondContact O-CB 3.42Å; E300-A304 PolarHBondContact O-N 2.87Å |
| 301 | M | 92.5 | Very high | 88.8 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.4 | -31.3 | 178.5 | -70.7 | -46.9 | 98.3 | 0 | 0 | 111.4 | T59 V90 Y93 V254 I297 I299 A304 A305 | T59-M301 HydrophobicContact CG2-CB 4.09Å; V90-M301 HydrophobicContact CG1-CB 4.16Å; V90-M301 VanDerWaalsContact CG1-O 3.23Å; V90-M301 WeakPolarHBondContact CG1-O 3.49Å; Y93-M301 WeakPolarHBondContact CB-SD 3.49Å; Y93-M301 HydrophobicContact CD1-SD 4.1Å; Y93-M301 HydrophobicContact CG-SD 4.14Å; V254-M301 HydrophobicContact CB-CE 4.34Å; V254-M301 HydrophobicContact CG1-CE 3.38Å; V254-M301 HydrophobicContact CG1-SD 3.98Å; V254-M301 HydrophobicContact CG2-CE 4.26Å; I297-M301 HydrophobicContact CG2-CE 4.23Å; I297-M301 HydrophobicContact CG2-CG 4.02Å; I297-M301 VanDerWaalsContact O-CG 3.32Å; I297-M301 WeakPolarHBondContact O-CG 3.33Å; I297-M301 PolarHBondContact O-N 3.37Å; I299-M301 VanDerWaalsContact C-N 3.33Å; I299-M301 PolarHBondContact O-N 3.34Å; M301-A304 PolarHBondContact O-N 2.89Å; M301-A305 WeakPolarHBondContact O-CB 3.22Å; M301-A305 PolarHBondContact O-N 3.35Å |
| 302 | F | 91.4 | Very high | 88.7 | Confident | 42 Ų | 42 | 40.2 Ų | 40.2 | 18% | 0.184 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.8 | -48.3 | 171.5 | 173.2 | -111.4 | 0 | 0 | 0 | 111.9 | F55 L58 T59 I62 C298 I299 E300 A304 A305 I306 | F55-F302 HydrophobicContact CD1-CB 4.2Å; F55-F302 HydrophobicContact CD1-CD1 4.27Å; F55-F302 HydrophobicContact CD1-CG 4.27Å; F55-F302 HydrophobicContact CE1-CD1 4.44Å; L58-F302 HydrophobicContact CB-CD2 3.76Å; L58-F302 HydrophobicContact CB-CE2 3.71Å; L58-F302 HydrophobicContact CD1-CE2 4.35Å; T59-F302 WeakPolarHBondContact OG1-CA 3.49Å; T59-F302 VanDerWaalsContact OG1-CB 3.31Å; T59-F302 WeakPolarHBondContact OG1-CB 3.3Å; T59-F302 PolarHBondContact OG1-N 2.89Å; I62-F302 HydrophobicContact CD1-CD2 4.18Å; I62-F302 HydrophobicContact CD1-CE2 3.65Å; C298-F302 PolarHBondContact O-N 3.01Å; I299-F302 WeakPolarHBondContact O-CB 3.24Å; I299-F302 PolarHBondContact O-N 3.4Å; E300-F302 PolarHBondContact O-N 3.41Å; F302-A304 VanDerWaalsContact C-N 3.31Å; F302-A304 PolarHBondContact O-N 3.39Å; F302-A305 WeakPolarHBondContact O-CB 3.41Å; F302-A305 PolarHBondContact O-N 3.33Å; F302-I306 HydrophobicContact CD1-CD1 4.39Å; F302-I306 HydrophobicContact CE1-CD1 3.83Å; F302-I306 HydrophobicContact CE2-CD1 4.12Å; F302-I306 HydrophobicContact CZ-CD1 3.69Å; F302-I306 PolarHBondContact O-N 3.11Å |
| 303 | L | 91 | Very high | 88.5 | Confident | 106 Ų | 106 | 38.7 Ų | 38.7 | 56% | 0.555 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -63.6 | -39.4 | 176.1 | -62.9 | 178.5 | 0 | 0 | 0 | 111.4 | I299 E300 I306 A307 | I299-L303 PolarHBondContact O-N 3.39Å; E300-L303 PolarHBondContact O-N 2.79Å; E300-L303 VanDerWaalsContact O-N 3.14Å; L303-I306 PolarHBondContact O-N 2.99Å; L303-A307 PolarHBondContact O-N 3.4Å |
| 304 | A | 90.4 | Very high | 87.8 | Confident | 9 Ų | 9 | 39.4 Ų | 39.4 | 7% | 0.074 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.7 | -40.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V90 V254 E300 M301 F302 I306 A307 H308 | V90-A304 HydrophobicContact CG2-CB 4.21Å; V254-A304 HydrophobicContact CG2-CB 3.68Å; E300-A304 WeakPolarHBondContact O-CB 3.42Å; E300-A304 PolarHBondContact O-N 2.87Å; M301-A304 PolarHBondContact O-N 2.89Å; F302-A304 VanDerWaalsContact C-N 3.31Å; F302-A304 PolarHBondContact O-N 3.39Å; A304-I306 VanDerWaalsContact C-N 3.29Å; A304-I306 PolarHBondContact O-N 2.95Å; A304-A307 CarbonylContact O-C 3.58Å; A304-A307 PolarHBondContact O-N 2.9Å; A304-A307 VanDerWaalsContact O-N 3.15Å; A304-H308 WeakPolarHBondContact O-CB 3.37Å; A304-H308 PolarHBondContact O-CD2 2.92Å; A304-H308 PolarHBondContact O-N 3.42Å |
| 305 | A | 90.4 | Very high | 87.2 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.2 | -42.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T59 I62 V90 M301 F302 H308 H309 | T59-A305 HydrophobicContact CG2-CB 4.1Å; I62-A305 HydrophobicContact CB-CB 4.18Å; I62-A305 HydrophobicContact CG2-CB 3.89Å; V90-A305 HydrophobicContact CG1-CB 3.91Å; M301-A305 WeakPolarHBondContact O-CB 3.22Å; M301-A305 PolarHBondContact O-N 3.35Å; F302-A305 WeakPolarHBondContact O-CB 3.41Å; F302-A305 PolarHBondContact O-N 3.33Å; A305-H308 PolarHBondContact O-N 2.94Å; A305-H309 PolarHBondContact O-N 2.93Å |
| 306 | I | 89.5 | Confident | 86.5 | Confident | 59 Ų | 59 | 49 Ų | 49 | 30% | 0.303 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.6 | -46.6 | 175.4 | -62.4 | 169.8 | 0 | 0 | 0 | 110.2 | I62 F302 L303 A304 H308 H309 Y310 | I62-I306 HydrophobicContact CD1-CG1 4.33Å; F302-I306 HydrophobicContact CD1-CD1 4.39Å; F302-I306 HydrophobicContact CE1-CD1 3.83Å; F302-I306 HydrophobicContact CE2-CD1 4.12Å; F302-I306 HydrophobicContact CZ-CD1 3.69Å; F302-I306 PolarHBondContact O-N 3.11Å; L303-I306 PolarHBondContact O-N 2.99Å; A304-I306 VanDerWaalsContact C-N 3.29Å; A304-I306 PolarHBondContact O-N 2.95Å; I306-H308 PolarHBondContact O-N 3.02Å; I306-H309 WeakPolarHBondContact O-CB 3.36Å; I306-H309 PolarHBondContact O-N 2.81Å; I306-Y310 HydrophobicContact CG2-CD2 3.98Å; I306-Y310 HydrophobicContact CG2-CE2 3.66Å; I306-Y310 WeakPolarHBondContact O-CD2 3.34Å; I306-Y310 PolarHBondContact O-N 3.5Å |
| 307 | A | 89.3 | Confident | 85.5 | Confident | 38 Ų | 38 | 47.7 Ų | 47.7 | 31% | 0.314 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.9 | -41.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L303 A304 H309 Y310 T311 | L303-A307 PolarHBondContact O-N 3.4Å; A304-A307 CarbonylContact O-C 3.58Å; A304-A307 PolarHBondContact O-N 2.9Å; A304-A307 VanDerWaalsContact O-N 3.15Å; A307-H309 VanDerWaalsContact C-N 3.34Å; A307-H309 PolarHBondContact O-N 2.86Å; A307-Y310 PolarHBondContact O-N 3.08Å; A307-T311 WeakPolarHBondContact O-CB 3.45Å; A307-T311 WeakPolarHBondContact O-CG2 3.4Å; A307-T311 PolarHBondContact O-N 2.99Å; A307-T311 PolarHBondContact O-OG1 2.91Å |
| 308 | H | 87.6 | Confident | 84.5 | Confident | 3 Ų | 3 | 51.1 Ų | 51.1 | 1% | 0.014 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63 | -39 | 175.9 | -85.1 | -115.9 | 0 | 0 | 0 | 111.4 | L87 C250 A304 A305 I306 Y310 T311 F312 | L87-H308 HydrophobicContact CD2-CB 3.93Å; C250-H308 PolarHBondContact SG-CD2 3.36Å; C250-H308 PolarHBondContact SG-NE2 3.37Å; C250-H308 VanDerWaalsContact SG-NE2 3.44Å; A304-H308 WeakPolarHBondContact O-CB 3.37Å; A304-H308 PolarHBondContact O-CD2 2.92Å; A304-H308 PolarHBondContact O-N 3.42Å; A305-H308 PolarHBondContact O-N 2.94Å; I306-H308 PolarHBondContact O-N 3.02Å; H308-Y310 VanDerWaalsContact C-N 3.32Å; H308-Y310 PolarHBondContact O-N 3.19Å; H308-T311 WeakPolarHBondContact CA-OG1 3.41Å; H308-F312 HydrophobicContact CB-CD2 4.48Å; H308-F312 AromaticContact ND1-CD2 3.97Å; H308-F312 AromaticContact ND1-CE2 3.98Å; H308-F312 WeakPolarHBondContact O-CB 3.29Å; H308-F312 PolarHBondContact O-N 3.44Å |
| 309 | H | 86.4 | Confident | 83.2 | Confident | 62 Ų | 62 | 58 Ų | 58 | 29% | 0.287 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.6 | -42.7 | 175.1 | -179.9 | 83.9 | 0 | 0 | 0 | 112.5 | V66 A305 I306 A307 | V66-H309 HydrophobicContact CG2-CB 3.63Å; V66-H309 WeakPolarHBondContact CG2-ND1 3.22Å; A305-H309 PolarHBondContact O-N 2.93Å; I306-H309 WeakPolarHBondContact O-CB 3.36Å; I306-H309 PolarHBondContact O-N 2.81Å; A307-H309 VanDerWaalsContact C-N 3.34Å; A307-H309 PolarHBondContact O-N 2.86Å |
| 310 | Y | 85.5 | Confident | 81.4 | Confident | 178 Ų | 178 | 64.9 Ų | 64.9 | 70% | 0.698 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -78.3 | -42.4 | 179.9 | -71.8 | -67.4 | 0 | 0 | 0 | 113.1 | I306 A307 H308 | I306-Y310 HydrophobicContact CG2-CD2 3.98Å; I306-Y310 HydrophobicContact CG2-CE2 3.66Å; I306-Y310 WeakPolarHBondContact O-CD2 3.34Å; I306-Y310 PolarHBondContact O-N 3.5Å; A307-Y310 PolarHBondContact O-N 3.08Å; H308-Y310 VanDerWaalsContact C-N 3.32Å; H308-Y310 PolarHBondContact O-N 3.19Å |
| 311 | T | 84.3 | Confident | 79.6 | Confident | 43 Ų | 43 | 64.5 Ų | 64.5 | 26% | 0.264 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -75.7 | -36 | -175.4 | 53 | 0 | 0 | 0 | 0 | 113.1 | K247 C250 A307 H308 | K247-T311 VanDerWaalsContact CE-O 3.25Å; K247-T311 WeakPolarHBondContact CE-O 3.49Å; C250-T311 HydrophobicContact CB-CG2 4.31Å; A307-T311 WeakPolarHBondContact O-CB 3.45Å; A307-T311 WeakPolarHBondContact O-CG2 3.4Å; A307-T311 PolarHBondContact O-N 2.99Å; A307-T311 PolarHBondContact O-OG1 2.91Å; H308-T311 WeakPolarHBondContact CA-OG1 3.41Å |
| 312 | F | 81.3 | Confident | 77.9 | Confident | 2 Ų | 2 | 73.1 Ų | 73.1 | 1% | 0.009 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 56.5 | 177.2 | -63.9 | -82.6 | 0 | 0 | 0 | 111 | H70 I83 I86 L87 K247 V251 H308 | H70-F312 PolarHBondContact CE1-O 2.94Å; H70-F312 PolarHBondContact NE2-O 3.43Å; I83-F312 HydrophobicContact CG1-CD1 4.26Å; I83-F312 HydrophobicContact CG2-CB 4.16Å; I83-F312 HydrophobicContact CG2-CD1 3.83Å; I83-F312 HydrophobicContact CG2-CG 4.29Å; I86-F312 HydrophobicContact CG2-CE2 4.23Å; I86-F312 HydrophobicContact CG2-CZ 3.92Å; L87-F312 HydrophobicContact CD2-CB 4.03Å; L87-F312 HydrophobicContact CD2-CD2 4.21Å; L87-F312 HydrophobicContact CD2-CG 4.31Å; K247-F312 HydrophobicContact CB-CE1 4.01Å; K247-F312 HydrophobicContact CB-CE2 4.46Å; K247-F312 HydrophobicContact CB-CZ 3.77Å; K247-F312 HydrophobicContact CD-CD1 4.21Å; K247-F312 HydrophobicContact CD-CE1 3.89Å; K247-F312 HydrophobicContact CD-CZ 4.49Å; K247-F312 HydrophobicContact CG-CD1 4.38Å; K247-F312 HydrophobicContact CG-CE1 3.95Å; K247-F312 HydrophobicContact CG-CZ 4.07Å; V251-F312 HydrophobicContact CG2-CE2 4.46Å; V251-F312 HydrophobicContact CG2-CZ 4.2Å; H308-F312 HydrophobicContact CB-CD2 4.48Å; H308-F312 AromaticContact ND1-CD2 3.97Å; H308-F312 AromaticContact ND1-CE2 3.98Å; H308-F312 WeakPolarHBondContact O-CB 3.29Å; H308-F312 PolarHBondContact O-N 3.44Å |
| 313 | S | 80.6 | Confident | 76.1 | Confident | 39 Ų | 39 | 77.7 Ų | 77.7 | 27% | 0.273 | 39% | 0.389 | S | S | . | . | trans | -66.2 | 137 | 179.2 | -162 | 0 | 0 | 0 | 0 | 112.1 | K315 P316 | S313-K315 VanDerWaalsContact C-N 3.32Å; S313-K315 WeakPolarHBondContact OG-CG 3.43Å; S313-P316 VanDerWaalsContact O-CD 3.32Å; S313-P316 WeakPolarHBondContact O-CD 3.41Å | ||
| 314 | Y | 73.1 | Confident | 74.5 | Confident | 57 Ų | 57 | 74.3 Ų | 74.3 | 22% | 0.224 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -79.7 | -12.4 | 176.9 | 65.1 | -89.1 | 0 | 0 | 0 | 113.3 | Q69 H73 P316 Y317 V318 | Q69-Y314 HydrophobicContact CB-CD1 3.46Å; Q69-Y314 VanDerWaalsContact CB-CD1 3.46Å; Q69-Y314 HydrophobicContact CB-CD2 4.15Å; Q69-Y314 HydrophobicContact CB-CE1 3.83Å; Q69-Y314 HydrophobicContact CB-CE2 4.47Å; Q69-Y314 HydrophobicContact CB-CG 3.64Å; Q69-Y314 HydrophobicContact CG-CD1 3.98Å; Q69-Y314 HydrophobicContact CG-CE1 3.8Å; Q69-Y314 HydrophobicContact CG-CG 4.48Å; H73-Y314 AromaticContact CE1-CD2 3.74Å; H73-Y314 AromaticContact CE1-CE2 3.78Å; H73-Y314 AromaticContact ND1-CD2 3.62Å; Y314-P316 VanDerWaalsContact C-N 3.33Å; Y314-Y317 WeakPolarHBondContact O-CB 3.42Å; Y314-Y317 PolarHBondContact O-N 2.8Å; Y314-V318 HydrophobicContact CD2-CG2 3.85Å; Y314-V318 HydrophobicContact CE2-CG2 4.17Å |
| 315 | K | 74.9 | Confident | 73.2 | Confident | 154 Ų | 154 | 75.7 Ų | 75.7 | 67% | 0.67 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -50.8 | -38.7 | -175.1 | -67.1 | 178.8 | -179.2 | -179.4 | 0 | 115.1 | S313 Y317 V318 | S313-K315 VanDerWaalsContact C-N 3.32Å; S313-K315 WeakPolarHBondContact OG-CG 3.43Å; K315-Y317 PolarHBondContact O-N 2.9Å; K315-V318 WeakPolarHBondContact O-CG2 3.44Å; K315-V318 PolarHBondContact O-N 3.22Å |
| 316 | P | 73.9 | Confident | 72 | Confident | 95 Ų | 95 | 76.8 Ų | 76.8 | 62% | 0.617 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -65.1 | -19.6 | 177.9 | -21.6 | 34.7 | 0 | 0 | 0 | 114.1 | S313 Y314 | S313-P316 VanDerWaalsContact O-CD 3.32Å; S313-P316 WeakPolarHBondContact O-CD 3.41Å; Y314-P316 VanDerWaalsContact C-N 3.33Å |
| 317 | Y | 71.1 | Confident | 70.9 | Confident | 20 Ų | 20 | 79.3 Ų | 79.3 | 8% | 0.078 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -98.8 | 5.4 | -174.2 | -56.5 | -72.8 | 0 | 0 | 0 | 113.6 | T75 Q76 L79 Q80 I83 Y314 K315 Q319 | T75-Y317 VanDerWaalsContact CG2-O 3.3Å; T75-Y317 WeakPolarHBondContact CG2-O 3.25Å; T75-Y317 PolarHBondContact OG1-O 2.96Å; T75-Y317 VanDerWaalsContact OG1-O 3.1Å; Q76-Y317 HydrophobicContact CB-CD1 4.27Å; Q76-Y317 HydrophobicContact CB-CE1 4.26Å; L79-Y317 HydrophobicContact CB-CE1 4.31Å; L79-Y317 HydrophobicContact CD1-CE1 4.39Å; Q80-Y317 HydrophobicContact CG-CD1 3.91Å; Q80-Y317 HydrophobicContact CG-CD2 4.24Å; Q80-Y317 HydrophobicContact CG-CE1 3.93Å; Q80-Y317 HydrophobicContact CG-CE2 4.26Å; Q80-Y317 HydrophobicContact CG-CG 4.07Å; I83-Y317 HydrophobicContact CD1-CE2 4.18Å; I83-Y317 WeakPolarHBondContact CD1-OH 3.14Å; Y314-Y317 WeakPolarHBondContact O-CB 3.42Å; Y314-Y317 PolarHBondContact O-N 2.8Å; K315-Y317 PolarHBondContact O-N 2.9Å; Y317-Q319 PolarHBondContact O-N 3.46Å |
| 318 | V | 68 | Low | 70.1 | Confident | 73 Ų | 73 | 82.4 Ų | 82.4 | 44% | 0.442 | 42% | 0.416 | S | S | . | . | trans | -77.7 | 7.6 | -174.5 | -176.9 | 0 | 0 | 0 | 0 | 113.1 | Y314 K315 | Y314-V318 HydrophobicContact CD2-CG2 3.85Å; Y314-V318 HydrophobicContact CE2-CG2 4.17Å; K315-V318 WeakPolarHBondContact O-CG2 3.44Å; K315-V318 PolarHBondContact O-N 3.22Å | ||
| 319 | Q | 63.2 | Low | 69.4 | Low | 146 Ų | 146 | 82.7 Ų | 82.7 | 68% | 0.682 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -55.7 | 143.9 | 169.2 | -74.1 | 175.9 | -1.2 | 0 | 0 | 109.8 | T75 Y317 A321 | T75-Q319 WeakPolarHBondContact CG2-O 3.38Å; Y317-Q319 PolarHBondContact O-N 3.46Å; Q319-A321 VanDerWaalsContact C-N 3.34Å; Q319-A321 PolarHBondContact O-N 3.41Å |
| 320 | E | 53.2 | Low | 68.8 | Low | 198 Ų | 198 | 84 Ų | 84 | 93% | 0.925 | 42% | 0.424 | S | S | * | . | trans | -48.7 | 95.7 | -172.2 | -71.9 | -177.1 | 156.9 | 0 | 0 | 110.8 | E322 | E320-E322 PolarHBondContact O-N 3.37Š| ||
| 321 | A | 54.9 | Low | 68.4 | Low | 29 Ų | 29 | 80 Ų | 80 | 24% | 0.24 | 41% | 0.414 | C | S | . | . | trans | -66.7 | 121.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | T75 Q319 E323 | T75-A321 HydrophobicContact CG2-CB 3.62Å; Q319-A321 VanDerWaalsContact C-N 3.34Å; Q319-A321 PolarHBondContact O-N 3.41Å; A321-E323 PolarHBondContact O-N 2.98Å | ||
| 322 | E | 55.4 | Low | 67.9 | Low | 182 Ų | 182 | 79.7 Ų | 79.7 | 85% | 0.85 | 42% | 0.416 | S | S | * | . | trans | -51.9 | 141.7 | 170.4 | -72.2 | -174.5 | 157.8 | 0 | 0 | 109.7 | E320 G324 | E320-E322 PolarHBondContact O-N 3.37Å; E322-G324 VanDerWaalsContact C-N 3.27Å; E322-G324 PolarHBondContact O-N 3.35Å | ||
| 323 | E | 53.1 | Low | 67.5 | Low | 137 Ų | 137 | 79.9 Ų | 79.9 | 64% | 0.64 | 42% | 0.417 | S | S | * | . | trans | -66.1 | 77.2 | -172.6 | -67.7 | -175.3 | 173.6 | 0 | 0 | 111.7 | R8 A321 | R8-E323 IonicContact CZ-OE2 2.82Å; R8-E323 IonicContact NE-OE1 3.98Å; R8-E323 IonicContact NE-OE2 2.66Å; R8-E323 PolarHBondContact NE-OE2 3.19Å; R8-E323 IonicContact NH2-OE1 3.73Å; R8-E323 IonicContact NH2-OE2 3.72Å; R8-E323 PolarHBondContact NH2-OE2 2.94Å; A321-E323 PolarHBondContact O-N 2.98Å | ||
| 324 | G | 58.8 | Low | 67.2 | Low | 35 Ų | 35 | 86.7 Ų | 86.7 | 36% | 0.361 | 44% | 0.437 | S | S | . | . | trans | -85.2 | 144.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E322 | E322-G324 VanDerWaalsContact C-N 3.27Å; E322-G324 PolarHBondContact O-N 3.35Å | ||
| 325 | S | 63.6 | Low | 67.4 | Low | 38 Ų | 38 | 87 Ų | 87 | 27% | 0.266 | 44% | 0.443 | S | S | . | . | trans | -63.6 | 140.8 | 174.6 | -178.1 | 0 | 0 | 0 | 0 | 111.6 | W7 F327 D328 S329 | W7-S325 PolarHBondContact NE1-OG 3.48Å; S325-F327 PolarHBondContact O-N 3.01Å; S325-D328 WeakPolarHBondContact CB-OD2 3.34Å; S325-D328 PolarHBondContact O-N 3.2Å; S325-S329 PolarHBondContact O-N 2.95Å; S325-S329 VanDerWaalsContact O-N 3.13Å; S325-S329 PolarHBondContact O-OG 3.43Å | ||
| 326 | C | 63.5 | Low | 67.6 | Low | 25 Ų | 25 | 83 Ų | 83 | 17% | 0.169 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -46.9 | -47.8 | 173.1 | 174.6 | 0 | 0 | 0 | 0 | 112.9 | W10 S329 F330 | W10-C326 HydrophobicContact CB-CB 4.47Å; W10-C326 HydrophobicContact CD2-CB 3.31Å; W10-C326 VanDerWaalsContact CE2-CB 3.41Å; W10-C326 HydrophobicContact CE3-CB 3.54Å; W10-C326 HydrophobicContact CG-CB 3.68Å; W10-C326 HydrophobicContact CH2-CB 3.98Å; W10-C326 WeakPolarHBondContact CH2-SG 3.27Å; W10-C326 HydrophobicContact CZ2-CB 3.81Å; W10-C326 HydrophobicContact CZ3-CB 3.78Å; W10-C326 WeakPolarHBondContact CZ3-SG 3.23Å; C326-S329 PolarHBondContact O-N 3.36Å; C326-F330 WeakPolarHBondContact O-CB 3.41Å; C326-F330 PolarHBondContact O-N 3.48Å |
| 327 | F | 66.4 | Low | 67.9 | Low | 111 Ų | 111 | 81 Ų | 81 | 49% | 0.487 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -73.7 | -36.4 | -167.3 | -166.4 | -109.3 | 0 | 0 | 0 | 110.4 | W7 S325 F330 L331 | W7-F327 HydrophobicContact CZ2-CB 3.97Å; S325-F327 PolarHBondContact O-N 3.01Å; F327-F330 PolarHBondContact O-N 2.9Å; F327-L331 HydrophobicContact CD1-CD1 3.53Å; F327-L331 HydrophobicContact CD1-CG 4.23Å; F327-L331 HydrophobicContact CE1-CD1 3.3Å; F327-L331 HydrophobicContact CE1-CG 4Å; F327-L331 HydrophobicContact CG-CD1 4.45Å; F327-L331 HydrophobicContact CZ-CD1 4.05Å; F327-L331 HydrophobicContact CZ-CG 4.31Å; F327-L331 WeakPolarHBondContact O-CB 3.37Å; F327-L331 WeakPolarHBondContact O-CG 3.32Å; F327-L331 PolarHBondContact O-N 3.11Å |
| 328 | D | 72.4 | Confident | 68.3 | Low | 103 Ų | 103 | 82.3 Ų | 82.3 | 55% | 0.551 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -65.8 | -40.8 | 173.8 | -61.9 | -25.1 | 0 | 0 | 0 | 110.9 | S325 F330 L331 A332 | S325-D328 WeakPolarHBondContact CB-OD2 3.34Å; S325-D328 PolarHBondContact O-N 3.2Å; D328-F330 VanDerWaalsContact C-N 3.32Å; D328-F330 PolarHBondContact O-N 3.5Å; D328-L331 PolarHBondContact O-N 3.1Å; D328-A332 WeakPolarHBondContact O-CB 3.06Å; D328-A332 PolarHBondContact O-N 2.73Å |
| 329 | S | 73.9 | Confident | 68.9 | Low | 10 Ų | 10 | 79.3 Ų | 79.3 | 7% | 0.07 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.3 | -38 | 174.9 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | S325 C326 M333 | S325-S329 PolarHBondContact O-N 2.95Å; S325-S329 VanDerWaalsContact O-N 3.13Å; S325-S329 PolarHBondContact O-OG 3.43Å; C326-S329 PolarHBondContact O-N 3.36Å; S329-M333 PolarHBondContact O-N 2.9Å; S329-M333 VanDerWaalsContact O-N 3.14Å |
| 330 | F | 73.8 | Confident | 69.7 | Low | 89 Ų | 89 | 81.3 Ų | 81.3 | 39% | 0.39 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -74.1 | -38.5 | 178.7 | -173.9 | -93.9 | 0 | 0 | 0 | 112.8 | L71 C326 F327 D328 M333 W334 | L71-F330 HydrophobicContact CD2-CD2 4.32Å; C326-F330 WeakPolarHBondContact O-CB 3.41Å; C326-F330 PolarHBondContact O-N 3.48Å; F327-F330 PolarHBondContact O-N 2.9Å; D328-F330 VanDerWaalsContact C-N 3.32Å; D328-F330 PolarHBondContact O-N 3.5Å; F330-M333 HydrophobicContact CD2-CE 3.7Å; F330-M333 HydrophobicContact CE2-CE 3.48Å; F330-M333 VanDerWaalsContact CE2-CE 3.48Å; F330-M333 HydrophobicContact CG-CE 4.38Å; F330-M333 HydrophobicContact CZ-CE 3.99Å; F330-M333 WeakPolarHBondContact O-CB 3.44Å; F330-M333 PolarHBondContact O-N 2.89Å; F330-W334 PolarHBondContact O-N 3.48Å |
| 331 | L | 76.2 | Confident | 71.1 | Confident | 93 Ų | 93 | 76.3 Ų | 76.3 | 49% | 0.487 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68.1 | -43.3 | 173.3 | -83.2 | 171.9 | 0 | 0 | 0 | 111.2 | F327 D328 M333 W334 D335 | F327-L331 HydrophobicContact CD1-CD1 3.53Å; F327-L331 HydrophobicContact CD1-CG 4.23Å; F327-L331 HydrophobicContact CE1-CD1 3.3Å; F327-L331 HydrophobicContact CE1-CG 4Å; F327-L331 HydrophobicContact CG-CD1 4.45Å; F327-L331 HydrophobicContact CZ-CD1 4.05Å; F327-L331 HydrophobicContact CZ-CG 4.31Å; F327-L331 WeakPolarHBondContact O-CB 3.37Å; F327-L331 WeakPolarHBondContact O-CG 3.32Å; F327-L331 PolarHBondContact O-N 3.11Å; D328-L331 PolarHBondContact O-N 3.1Å; L331-M333 PolarHBondContact O-N 3.07Å; L331-W334 PolarHBondContact O-N 3.11Å; L331-D335 PolarHBondContact O-N 2.6Å |
| 332 | A | 73.4 | Confident | 72.4 | Confident | 37 Ų | 37 | 76.6 Ų | 76.6 | 31% | 0.306 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.5 | -29.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K81 D328 | K81-A332 WeakPolarHBondContact CE-O 3.44Å; D328-A332 WeakPolarHBondContact O-CB 3.06Å; D328-A332 PolarHBondContact O-N 2.73Å |
| 333 | M | 73.2 | Confident | 73.7 | Confident | 7 Ų | 7 | 70.8 Ų | 70.8 | 3% | 0.034 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.5 | -40.6 | 172.9 | 176.6 | -169 | 74.9 | 0 | 0 | 112.6 | I84 S329 F330 L331 | I84-M333 HydrophobicContact CB-CG 4.49Å; I84-M333 HydrophobicContact CG2-CG 3.72Å; I84-M333 HydrophobicContact CG2-SD 3.44Å; I84-M333 WeakPolarHBondContact CG2-SD 3.41Å; S329-M333 PolarHBondContact O-N 2.9Å; S329-M333 VanDerWaalsContact O-N 3.14Å; F330-M333 HydrophobicContact CD2-CE 3.7Å; F330-M333 HydrophobicContact CE2-CE 3.48Å; F330-M333 VanDerWaalsContact CE2-CE 3.48Å; F330-M333 HydrophobicContact CG-CE 4.38Å; F330-M333 HydrophobicContact CZ-CE 3.99Å; F330-M333 WeakPolarHBondContact O-CB 3.44Å; F330-M333 PolarHBondContact O-N 2.89Å; L331-M333 PolarHBondContact O-N 3.07Å |
| 334 | W | 74.3 | Confident | 75.1 | Confident | 181 Ų | 181 | 67.4 Ų | 67.4 | 69% | 0.686 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -85.6 | -7.6 | -178.9 | -93.6 | 89.7 | 0 | 0 | 0 | 114.3 | F330 L331 V336 | F330-W334 PolarHBondContact O-N 3.48Å; L331-W334 PolarHBondContact O-N 3.11Å; W334-V336 PolarHBondContact O-N 3.15Å |
| 335 | D | 78.9 | Confident | 76.3 | Confident | 65 Ų | 65 | 71.8 Ų | 71.8 | 35% | 0.348 | 36% | 0.364 | S | S | . | . | trans | -62.3 | 130.8 | 173.3 | 173.4 | 38.8 | 0 | 0 | 0 | 110.1 | K81 R85 L331 S337 | K81-D335 WeakPolarHBondContact CE-O 3.45Å; K81-D335 PolarHBondContact NZ-O 3.19Å; K81-D335 IonicContact NZ-OD2 3.74Å; K81-D335 PolarHBondContact NZ-OD2 2.95Å; R85-D335 PolarHBondContact NH2-O 3.35Å; L331-D335 PolarHBondContact O-N 2.6Å; D335-S337 WeakPolarHBondContact OD1-CB 3.25Å; D335-S337 PolarHBondContact OD1-N 3.43Å; D335-S337 PolarHBondContact OD1-OG 3.38Å | ||
| 336 | V | 79.3 | Confident | 77.1 | Confident | 69 Ų | 69 | 70.4 Ų | 70.4 | 42% | 0.418 | 35% | 0.354 | S | S | . | . | trans | -111.9 | 7.6 | -179.7 | -178.2 | 0 | 0 | 0 | 0 | 110.7 | W334 D338 I339 R340 | W334-V336 PolarHBondContact O-N 3.15Å; V336-D338 VanDerWaalsContact C-N 3.26Å; V336-D338 PolarHBondContact O-N 3.1Å; V336-I339 HydrophobicContact CG1-CB 3.82Å; V336-I339 HydrophobicContact CG1-CD1 3.94Å; V336-I339 HydrophobicContact CG1-CG1 3.98Å; V336-I339 WeakPolarHBondContact O-CB 3.42Å; V336-I339 PolarHBondContact O-N 3.46Å; V336-R340 PolarHBondContact O-N 3.18Å; V336-R340 VanDerWaalsContact O-N 3.14Å | ||
| 337 | S | 79.7 | Confident | 78 | Confident | 53 Ų | 53 | 73.9 Ų | 73.9 | 37% | 0.371 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.5 | -37.9 | -176.1 | -59.1 | 0 | 0 | 0 | 0 | 112.8 | D335 I339 R340 D341 | D335-S337 WeakPolarHBondContact OD1-CB 3.25Å; D335-S337 PolarHBondContact OD1-N 3.43Å; D335-S337 PolarHBondContact OD1-OG 3.38Å; S337-I339 VanDerWaalsContact C-N 3.28Å; S337-I339 PolarHBondContact O-N 3.43Å; S337-R340 WeakPolarHBondContact O-CB 3.25Å; S337-R340 PolarHBondContact O-N 3.08Å; S337-R340 VanDerWaalsContact O-N 3.16Å; S337-D341 WeakPolarHBondContact O-CB 3.48Å; S337-D341 PolarHBondContact O-N 3.32Å |
| 338 | D | 79.5 | Confident | 78.8 | Confident | 47 Ų | 47 | 76 Ų | 76 | 25% | 0.251 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -55.7 | -41.6 | 174.7 | 55.5 | -56.3 | 0 | 0 | 0 | 112.7 | K81 R85 V336 D342 | K81-D338 WeakPolarHBondContact CE-OD1 3.44Å; K81-D338 IonicContact NZ-OD1 2.7Å; K81-D338 PolarHBondContact NZ-OD1 3Å; R85-D338 IonicContact CZ-OD1 3.33Å; R85-D338 IonicContact CZ-OD2 3.9Å; R85-D338 IonicContact NH1-OD1 3.43Å; R85-D338 IonicContact NH1-OD2 3.48Å; R85-D338 PolarHBondContact NH1-OD2 2.92Å; R85-D338 IonicContact NH2-OD1 3.85Å; R85-D338 PolarHBondContact NH2-OD1 3.32Å; R85-D338 IonicContact NH2-OD2 3.08Å; R85-D338 PolarHBondContact NH2-OD2 3.38Å; V336-D338 VanDerWaalsContact C-N 3.26Å; V336-D338 PolarHBondContact O-N 3.1Å; D338-D342 WeakPolarHBondContact O-CB 3.48Å; D338-D342 PolarHBondContact O-N 3.39Å |
| 339 | I | 79.3 | Confident | 79 | Confident | 11 Ų | 11 | 74.6 Ų | 74.6 | 6% | 0.056 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -71.8 | -41.7 | 179.9 | -49.8 | -164 | 0 | 0 | 0 | 110.5 | Y120 Y123 V336 S337 D341 D342 I343 | Y120-I339 HydrophobicContact CD2-CD1 4.21Å; Y120-I339 HydrophobicContact CE2-CD1 3.24Å; Y123-I339 HydrophobicContact CD1-CD1 4.19Å; Y123-I339 HydrophobicContact CD1-CG2 4.34Å; Y123-I339 HydrophobicContact CE1-CB 4.08Å; Y123-I339 HydrophobicContact CE1-CD1 3.81Å; Y123-I339 HydrophobicContact CE1-CG1 3.74Å; Y123-I339 HydrophobicContact CE1-CG2 3.66Å; V336-I339 HydrophobicContact CG1-CB 3.82Å; V336-I339 HydrophobicContact CG1-CD1 3.94Å; V336-I339 HydrophobicContact CG1-CG1 3.98Å; V336-I339 WeakPolarHBondContact O-CB 3.42Å; V336-I339 PolarHBondContact O-N 3.46Å; S337-I339 VanDerWaalsContact C-N 3.28Å; S337-I339 PolarHBondContact O-N 3.43Å; I339-D341 VanDerWaalsContact C-N 3.31Å; I339-D341 PolarHBondContact O-N 2.92Å; I339-D342 PolarHBondContact O-N 2.88Å; I339-I343 HydrophobicContact CG2-CD1 3.85Å; I339-I343 HydrophobicContact CG2-CG1 4.46Å; I339-I343 WeakPolarHBondContact O-CB 3.35Å; I339-I343 WeakPolarHBondContact O-CD1 3.3Å; I339-I343 WeakPolarHBondContact O-CG1 3.28Å; I339-I343 PolarHBondContact O-N 3.46Å |
| 340 | R | 81.1 | Confident | 79.2 | Confident | 187 Ų | 187 | 77 Ų | 77 | 71% | 0.706 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -61.5 | -44.1 | 176.9 | 179.6 | -173 | 177.3 | -162.1 | -1 | 110.7 | V336 S337 I343 S344 | V336-R340 PolarHBondContact O-N 3.18Å; V336-R340 VanDerWaalsContact O-N 3.14Å; S337-R340 WeakPolarHBondContact O-CB 3.25Å; S337-R340 PolarHBondContact O-N 3.08Å; S337-R340 VanDerWaalsContact O-N 3.16Å; R340-I343 PolarHBondContact O-N 3.44Å; R340-S344 VanDerWaalsContact O-CB 3.32Å; R340-S344 WeakPolarHBondContact O-CB 3.4Å; R340-S344 PolarHBondContact O-N 3.33Å |
| 341 | D | 82.8 | Confident | 79.4 | Confident | 93 Ų | 93 | 74.4 Ų | 74.4 | 50% | 0.497 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.6 | -46.5 | -178.6 | -68.2 | -19.9 | 0 | 0 | 0 | 110.2 | S337 I339 I343 S344 E345 | S337-D341 WeakPolarHBondContact O-CB 3.48Å; S337-D341 PolarHBondContact O-N 3.32Å; I339-D341 VanDerWaalsContact C-N 3.31Å; I339-D341 PolarHBondContact O-N 2.92Å; D341-I343 PolarHBondContact O-N 3.47Å; D341-S344 PolarHBondContact O-N 2.89Å; D341-S344 VanDerWaalsContact O-N 3.14Å; D341-S344 PolarHBondContact O-OG 3.25Å; D341-E345 WeakPolarHBondContact O-CB 3.03Å; D341-E345 PolarHBondContact O-N 3.17Å |
| 342 | D | 81.6 | Confident | 79.4 | Confident | 35 Ų | 35 | 76 Ų | 76 | 19% | 0.187 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57.2 | -47.2 | 173.6 | -106.7 | 16.2 | 0 | 0 | 0 | 112 | Y123 D338 I339 S344 E345 Q346 | Y123-D342 WeakPolarHBondContact OH-CB 3.33Å; Y123-D342 PolarHBondContact OH-OD2 3.2Å; D338-D342 WeakPolarHBondContact O-CB 3.48Å; D338-D342 PolarHBondContact O-N 3.39Å; I339-D342 PolarHBondContact O-N 2.88Å; D342-S344 VanDerWaalsContact C-N 3.33Å; D342-S344 PolarHBondContact O-N 3.05Å; D342-E345 PolarHBondContact O-N 3.33Å; D342-Q346 WeakPolarHBondContact O-CG 3.21Å; D342-Q346 PolarHBondContact O-N 2.97Å |
| 343 | I | 82.6 | Confident | 79.4 | Confident | 61 Ų | 61 | 78.9 Ų | 78.9 | 31% | 0.313 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 176.3 | -71 | 166.9 | 0 | 0 | 0 | 110.1 | L177 I339 R340 D341 E345 Q346 V347 | L177-I343 HydrophobicContact CD1-CD1 4.35Å; L177-I343 HydrophobicContact CD1-CG1 3.73Å; L177-I343 HydrophobicContact CD2-CG1 3.99Å; L177-I343 HydrophobicContact CG-CG1 4.45Å; I339-I343 HydrophobicContact CG2-CD1 3.85Å; I339-I343 HydrophobicContact CG2-CG1 4.46Å; I339-I343 WeakPolarHBondContact O-CB 3.35Å; I339-I343 WeakPolarHBondContact O-CD1 3.3Å; I339-I343 WeakPolarHBondContact O-CG1 3.28Å; I339-I343 PolarHBondContact O-N 3.46Å; R340-I343 PolarHBondContact O-N 3.44Å; D341-I343 PolarHBondContact O-N 3.47Å; I343-E345 VanDerWaalsContact C-N 3.33Å; I343-E345 PolarHBondContact O-N 3.3Å; I343-Q346 PolarHBondContact O-N 2.91Å; I343-V347 HydrophobicContact CG2-CG2 4.29Å; I343-V347 WeakPolarHBondContact O-CB 3.49Å; I343-V347 VanDerWaalsContact O-CG2 3.26Å; I343-V347 WeakPolarHBondContact O-CG2 3.31Å; I343-V347 PolarHBondContact O-N 3.12Å |
| 344 | S | 83.3 | Confident | 79.4 | Confident | 66 Ų | 66 | 84.4 Ų | 84.4 | 46% | 0.462 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.8 | -39.6 | -178.2 | 82.7 | 0 | 0 | 0 | 0 | 111.9 | R340 D341 D342 R348 | R340-S344 VanDerWaalsContact O-CB 3.32Å; R340-S344 WeakPolarHBondContact O-CB 3.4Å; R340-S344 PolarHBondContact O-N 3.33Å; D341-S344 PolarHBondContact O-N 2.89Å; D341-S344 VanDerWaalsContact O-N 3.14Å; D341-S344 PolarHBondContact O-OG 3.25Å; D342-S344 VanDerWaalsContact C-N 3.33Å; D342-S344 PolarHBondContact O-N 3.05Å; S344-R348 VanDerWaalsContact O-CB 3.26Å; S344-R348 WeakPolarHBondContact O-CB 3.3Å; S344-R348 PolarHBondContact O-N 3.32Å |
| 345 | E | 82.8 | Confident | 79.2 | Confident | 127 Ų | 127 | 85.7 Ų | 85.7 | 59% | 0.593 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -67.2 | -44.7 | 178.3 | -176.5 | 170.4 | -156.1 | 0 | 0 | 110.8 | D341 D342 I343 R348 H349 | D341-E345 WeakPolarHBondContact O-CB 3.03Å; D341-E345 PolarHBondContact O-N 3.17Å; D342-E345 PolarHBondContact O-N 3.33Å; I343-E345 VanDerWaalsContact C-N 3.33Å; I343-E345 PolarHBondContact O-N 3.3Å; E345-R348 PolarHBondContact O-N 3.34Å; E345-H349 WeakPolarHBondContact O-CB 2.92Å; E345-H349 PolarHBondContact O-N 3.45Å |
| 346 | Q | 81.6 | Confident | 77.8 | Confident | 9 Ų | 9 | 85.5 Ų | 85.5 | 4% | 0.042 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -64.6 | -44 | 177.6 | -71 | -166.7 | 18.6 | 0 | 0 | 112.2 | F170 L174 L177 D342 I343 R348 H349 V350 | F170-Q346 HydrophobicContact CE2-CG 4.02Å; L174-Q346 HydrophobicContact CD1-CB 4.43Å; L177-Q346 HydrophobicContact CD2-CB 4.22Å; L177-Q346 HydrophobicContact CD2-CG 4.39Å; D342-Q346 WeakPolarHBondContact O-CG 3.21Å; D342-Q346 PolarHBondContact O-N 2.97Å; I343-Q346 PolarHBondContact O-N 2.91Å; Q346-R348 VanDerWaalsContact C-N 3.3Å; Q346-R348 PolarHBondContact O-N 3.04Å; Q346-H349 PolarHBondContact O-N 2.86Å; Q346-V350 WeakPolarHBondContact O-CB 3.27Å; Q346-V350 WeakPolarHBondContact O-CG2 3.46Å; Q346-V350 PolarHBondContact O-N 3.18Å |
| 347 | V | 82.8 | Confident | 76.4 | Confident | 98 Ų | 98 | 89.3 Ų | 89.3 | 59% | 0.594 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -60.9 | -41.5 | 174.6 | 171 | 0 | 0 | 0 | 0 | 110.6 | I343 G351 | I343-V347 HydrophobicContact CG2-CG2 4.29Å; I343-V347 WeakPolarHBondContact O-CB 3.49Å; I343-V347 VanDerWaalsContact O-CG2 3.26Å; I343-V347 WeakPolarHBondContact O-CG2 3.31Å; I343-V347 PolarHBondContact O-N 3.12Å; V347-G351 PolarHBondContact O-N 3.47Å |
| 348 | R | 81.4 | Confident | 74.7 | Confident | 154 Ų | 154 | 92.5 Ų | 92.5 | 58% | 0.581 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.1 | -40.2 | 176.7 | -169.1 | 169.8 | 99.2 | 141.8 | -5.4 | 112.1 | S344 E345 Q346 R352 | S344-R348 VanDerWaalsContact O-CB 3.26Å; S344-R348 WeakPolarHBondContact O-CB 3.3Å; S344-R348 PolarHBondContact O-N 3.32Å; E345-R348 PolarHBondContact O-N 3.34Å; Q346-R348 VanDerWaalsContact C-N 3.3Å; Q346-R348 PolarHBondContact O-N 3.04Å; R348-R352 VanDerWaalsContact CZ-CZ 3.47Å; R348-R352 WeakPolarHBondContact O-CB 3.34Å; R348-R352 VanDerWaalsContact O-CG 3.28Å; R348-R352 WeakPolarHBondContact O-CG 3.47Å; R348-R352 PolarHBondContact O-N 3.41Å |
| 349 | H | 77.9 | Confident | 72.9 | Confident | 75 Ų | 75 | 99.4 Ų | 99.4 | 35% | 0.347 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.6 | -47.2 | 179.1 | -168 | -82.8 | 0 | 0 | 0 | 111.5 | F170 E345 Q346 G351 R352 T353 | F170-H349 AromaticContact CE1-ND1 3.58Å; F170-H349 HydrophobicContact CE2-CB 3.81Å; F170-H349 AromaticContact CE2-CG 3.76Å; F170-H349 AromaticContact CE2-ND1 3.77Å; F170-H349 HydrophobicContact CZ-CB 3.8Å; F170-H349 AromaticContact CZ-CG 3.7Å; F170-H349 AromaticContact CZ-ND1 3.31Å; F170-H349 VanDerWaalsContact CZ-ND1 3.31Å; F170-H349 WeakPolarHBondContact CZ-ND1 3.12Å; E345-H349 WeakPolarHBondContact O-CB 2.92Å; E345-H349 PolarHBondContact O-N 3.45Å; Q346-H349 PolarHBondContact O-N 2.86Å; H349-G351 VanDerWaalsContact C-N 3.32Å; H349-G351 PolarHBondContact O-N 3.18Å; H349-R352 PolarHBondContact O-N 2.69Å; H349-T353 PolarHBondContact O-N 3.17Å; H349-T353 PolarHBondContact O-OG1 2.88Å; H349-T353 VanDerWaalsContact O-OG1 3.1Å |
| 350 | V | 78.8 | Confident | 70.9 | Confident | 59 Ų | 59 | 108.4 Ų | 108.4 | 36% | 0.358 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 173.7 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | F170 L174 Q346 R352 T353 V354 | F170-V350 HydrophobicContact CZ-CG2 4.41Å; L174-V350 HydrophobicContact CD1-CG2 4.41Å; L174-V350 HydrophobicContact CD2-CG2 4.21Å; Q346-V350 WeakPolarHBondContact O-CB 3.27Å; Q346-V350 WeakPolarHBondContact O-CG2 3.46Å; Q346-V350 PolarHBondContact O-N 3.18Å; V350-R352 VanDerWaalsContact C-N 3.31Å; V350-R352 PolarHBondContact O-N 3.01Å; V350-T353 PolarHBondContact O-N 3.43Å; V350-V354 HydrophobicContact CG1-CG2 4.27Å; V350-V354 WeakPolarHBondContact O-CG2 3.29Å; V350-V354 PolarHBondContact O-N 3.05Å |
| 351 | G | 76.9 | Confident | 68.5 | Low | 36 Ų | 36 | 108.5 Ų | 108.5 | 37% | 0.371 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.6 | -40.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V347 H349 R355 | V347-G351 PolarHBondContact O-N 3.47Å; H349-G351 VanDerWaalsContact C-N 3.32Å; H349-G351 PolarHBondContact O-N 3.18Å; G351-R355 WeakPolarHBondContact O-CB 3.35Å; G351-R355 PolarHBondContact O-N 3.12Å |
| 352 | R | 77.1 | Confident | 66.3 | Low | 127 Ų | 127 | 112.1 Ų | 112.1 | 48% | 0.479 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.7 | -40.2 | 175 | -77.1 | 169.6 | 174.8 | 176.6 | -8.9 | 113 | R348 H349 V350 R355 G356 | R348-R352 VanDerWaalsContact CZ-CZ 3.47Å; R348-R352 WeakPolarHBondContact O-CB 3.34Å; R348-R352 VanDerWaalsContact O-CG 3.28Å; R348-R352 WeakPolarHBondContact O-CG 3.47Å; R348-R352 PolarHBondContact O-N 3.41Å; H349-R352 PolarHBondContact O-N 2.69Å; V350-R352 VanDerWaalsContact C-N 3.31Å; V350-R352 PolarHBondContact O-N 3.01Å; R352-R355 PolarHBondContact O-N 3.06Å; R352-G356 PolarHBondContact O-N 3.17Å |
| 353 | T | 72.9 | Confident | 63.9 | Low | 96 Ų | 96 | 119 Ų | 119 | 59% | 0.589 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.7 | -43.5 | 176.3 | -54.1 | 0 | 0 | 0 | 0 | 111.3 | H349 V350 | H349-T353 PolarHBondContact O-N 3.17Å; H349-T353 PolarHBondContact O-OG1 2.88Å; H349-T353 VanDerWaalsContact O-OG1 3.1Å; V350-T353 PolarHBondContact O-N 3.43Å |
| 354 | V | 73.6 | Confident | 61.6 | Low | 124 Ų | 124 | 121.6 Ų | 121.6 | 75% | 0.752 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70.5 | -34.4 | 178.5 | 174 | 0 | 0 | 0 | 0 | 111.6 | V350 G356 | V350-V354 HydrophobicContact CG1-CG2 4.27Å; V350-V354 WeakPolarHBondContact O-CG2 3.29Å; V350-V354 PolarHBondContact O-N 3.05Å; V354-G356 VanDerWaalsContact C-N 3.26Å; V354-G356 PolarHBondContact O-N 3.47Å |
| 355 | R | 69.8 | Low | 59.1 | Low | 208 Ų | 208 | 127.7 Ų | 127.7 | 79% | 0.785 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 12.3 | -179.1 | -155.3 | 171.1 | 172.5 | -174.7 | -2.8 | 113.9 | G351 R352 H357 | G351-R355 WeakPolarHBondContact O-CB 3.35Å; G351-R355 PolarHBondContact O-N 3.12Å; R352-R355 PolarHBondContact O-N 3.06Å; R355-H357 VanDerWaalsContact C-N 3.33Å; R355-H357 PolarHBondContact O-N 3.16Å; R355-H357 VanDerWaalsContact O-N 3.16Å |
| 356 | G | 48.7 | Very low | 56.6 | Low | 60 Ų | 60 | 129 Ų | 129 | 62% | 0.619 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.4 | 23.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 117 | R352 V354 | R352-G356 PolarHBondContact O-N 3.17Å; V354-G356 VanDerWaalsContact C-N 3.26Å; V354-G356 PolarHBondContact O-N 3.47Å |
| 357 | H | 50.4 | Low | 54.1 | Low | 150 Ų | 150 | 136.5 Ų | 136.5 | 69% | 0.694 | 68% | 0.681 | S | S | * | * | trans | -74.1 | 125.5 | 175.2 | -91.5 | 58.9 | 0 | 0 | 0 | 110.6 | R355 R359 | R355-H357 VanDerWaalsContact C-N 3.33Å; R355-H357 PolarHBondContact O-N 3.16Å; R355-H357 VanDerWaalsContact O-N 3.16Å; H357-R359 PolarHBondContact O-N 2.91Å | ||
| 358 | P | 43.2 | Very low | 51.5 | Low | 120 Ų | 120 | 139.8 Ų | 139.8 | 78% | 0.779 | 70% | 0.695 | S | S | * | * | trans | -64.6 | 133.8 | 178.2 | -12.2 | 25.2 | 0 | 0 | 0 | 110.2 | K360 | P358-K360 PolarHBondContact O-N 3.33Å; P358-K360 VanDerWaalsContact O-N 3.16Å | ||
| 359 | R | 41.9 | Very low | 49 | Very low | 191 Ų | 191 | 140 Ų | 140 | 72% | 0.721 | 70% | 0.702 | S | S | * | * | trans | -60 | 114.4 | 171.9 | -161.8 | 176.1 | -178.9 | 161.1 | 5.7 | 107.5 | E166 H357 K361 | E166-R359 IonicContact OE2-CZ 2.59Å; E166-R359 IonicContact OE2-NH2 3.42Å; E166-R359 PolarHBondContact OE2-NH2 3.12Å; H357-R359 PolarHBondContact O-N 2.91Å; R359-K361 PolarHBondContact O-N 3.29Å | ||
| 360 | K | 37 | Very low | 46.8 | Very low | 201 Ų | 201 | 143.6 Ų | 143.6 | 87% | 0.874 | 73% | 0.725 | S | S | * | * | trans | -58.2 | 113.7 | 164.6 | -89.2 | -176 | 175.5 | -177.9 | 0 | 106.4 | P358 L362 | P358-K360 PolarHBondContact O-N 3.33Å; P358-K360 VanDerWaalsContact O-N 3.16Å; K360-L362 PolarHBondContact O-N 3.41Å | ||
| 361 | K | 31.6 | Very low | 44.6 | Very low | 188 Ų | 188 | 149.2 Ų | 149.2 | 82% | 0.817 | 75% | 0.747 | S | S | * | * | trans | -59.9 | 120.2 | 172.4 | -72.3 | -176.9 | 178 | -179.4 | 0 | 107.4 | R359 F363 | R359-K361 PolarHBondContact O-N 3.29Å; K361-F363 PolarHBondContact O-N 3.38Å | ||
| 362 | L | 36.2 | Very low | 42.6 | Very low | 169 Ų | 169 | 156.8 Ų | 156.8 | 89% | 0.885 | 77% | 0.772 | S | S | * | * | trans | -84.3 | 72.9 | 170.6 | -174.7 | 74 | 0 | 0 | 0 | 107.4 | K360 | K360-L362 PolarHBondContact O-N 3.41Š| ||
| 363 | F | 31.1 | Very low | 40.5 | Very low | 179 Ų | 179 | 156.7 Ų | 156.7 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -136.7 | 125.7 | 160.8 | -75.8 | -78.2 | 0 | 0 | 0 | 105.7 | K361 E365 | K361-F363 PolarHBondContact O-N 3.38Å; F363-E365 PolarHBondContact O-N 3.43Å | ||
| 364 | P | 35.2 | Very low | 38.5 | Very low | 117 Ų | 117 | 157.3 Ų | 157.3 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | -63.6 | 121 | 158.2 | 4.4 | 10.6 | 0 | 0 | 0 | 106 | D366 | P364-D366 PolarHBondContact O-N 3.38Å; P364-D366 VanDerWaalsContact O-N 3.08Å | ||
| 365 | E | 29.8 | Very low | 36.5 | Very low | 193 Ų | 193 | 158.4 Ų | 158.4 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -60.3 | 111.9 | 160 | -88.4 | 175.6 | 119.2 | 0 | 0 | 106.2 | F363 Q367 | F363-E365 PolarHBondContact O-N 3.43Å; E365-Q367 PolarHBondContact O-N 3.09Å | ||
| 366 | D | 30.9 | Very low | 34.6 | Very low | 154 Ų | 154 | 156.6 Ų | 156.6 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | -56.8 | 130.5 | 161.9 | -87.4 | -41.7 | 0 | 0 | 0 | 107.9 | P364 D368 | P364-D366 PolarHBondContact O-N 3.38Å; P364-D366 VanDerWaalsContact O-N 3.08Å; D366-D368 PolarHBondContact O-N 3.49Å | ||
| 367 | Q | 29.1 | Very low | 33.7 | Very low | 168 Ų | 168 | 158.5 Ų | 158.5 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -58.6 | 99.8 | 176.8 | -174 | 174.1 | 11.2 | 0 | 0 | 109.1 | E365 Q369 | E365-Q367 PolarHBondContact O-N 3.09Å; Q367-Q369 PolarHBondContact O-N 3.19Å | ||
| 368 | D | 28 | Very low | 32.5 | Very low | 166 Ų | 166 | 156.2 Ų | 156.2 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -61.1 | 102.8 | 168.1 | -103.1 | -22 | 0 | 0 | 0 | 108.6 | D366 | D366-D368 PolarHBondContact O-N 3.49Š| ||
| 369 | Q | 29.3 | Very low | 31.7 | Very low | 158 Ų | 158 | 155.3 Ų | 155.3 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | trans | -73.8 | 129.4 | 166.3 | -77.6 | -178.7 | -6.9 | 0 | 0 | 109.1 | Q367 | Q367-Q369 PolarHBondContact O-N 3.19Š| ||
| 370 | N | 31 | Very low | 31.1 | Very low | 152 Ų | 152 | 150.9 Ų | 150.9 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | 42.3 | 111.4 | 147.5 | -75.6 | -15.7 | 0 | 0 | 0 | 117.8 | ||||
| 371 | E | 31.9 | Very low | 30.7 | Very low | 177 Ų | 177 | 149.7 Ų | 149.7 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | -174.7 | 113.5 | 113.1 | -99.5 | 169.6 | -170.3 | 0 | 0 | 107.8 | |||||
| 372 | H | 35.1 | Very low | 30.4 | Very low | 195 Ų | 195 | 148.4 Ų | 148.4 | 90% | 0.903 | 80% | 0.799 | S | S | * | * | trans | 169.9 | 101 | 140.8 | -86.9 | -62.9 | 0 | 0 | 0 | 109.3 | ||||
| 373 | T | 33.2 | Very low | 29.9 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 77% | 0.767 | 79% | 0.788 | S | S | * | * | trans | -77.4 | 131.4 | 169.3 | -48.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 374 | S | 30.7 | Very low | 29.6 | Very low | 109 Ų | 109 | 143 Ų | 143 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -169 | 100.4 | 147.1 | -84.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 375 | L | 31.6 | Very low | 29.1 | Very low | 146 Ų | 146 | 142.2 Ų | 142.2 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | 78 | 122.2 | 83.2 | -74.2 | 177.3 | 0 | 0 | 0 | 113.7 | |||||
| 376 | L | 31.3 | Very low | 28.9 | Very low | 171 Ų | 171 | 139.8 Ų | 139.8 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | trans | 79.3 | 132.1 | 172.2 | -49.5 | 173 | 0 | 0 | 0 | 114.7 | ||||
| 377 | S | 27.8 | Very low | 28.6 | Very low | 100 Ų | 100 | 138.3 Ų | 138.3 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | cis | -169.6 | 140.5 | 2.3 | 44.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 378 | S | 27.1 | Very low | 28.4 | Very low | 101 Ų | 101 | 136 Ų | 136 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | 54.8 | 121 | 140.8 | 66 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 379 | S | 26.3 | Very low | 28.4 | Very low | 102 Ų | 102 | 134 Ų | 134 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | 73.3 | 114 | 127.9 | 58.4 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 380 | S | 28.2 | Very low | 28.5 | Very low | 98 Ų | 98 | 135.1 Ų | 135.1 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | 164.4 | 129.1 | 96.8 | -64.5 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 381 | Q | 28.4 | Very low | 28.6 | Very low | 175 Ų | 175 | 133.4 Ų | 133.4 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | 63.7 | 106.4 | 136.5 | -69.8 | 166.7 | -4.9 | 0 | 0 | 121.9 | ||||
| 382 | D | 24.9 | Very low | 28.6 | Very low | 161 Ų | 161 | 131 Ų | 131 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | 39.3 | 133 | 114.2 | -69.7 | -31.2 | 0 | 0 | 0 | 122.9 | |||||
| 383 | A | 26 | Very low | 28.4 | Very low | 80 Ų | 80 | 127.1 Ų | 127.1 | 66% | 0.661 | 78% | 0.775 | S | S | * | * | 102.1 | 112.7 | 128.1 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 384 | I | 26 | Very low | 28.4 | Very low | 154 Ų | 154 | 127 Ų | 127 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | 82.8 | 116.1 | 130.8 | -57.7 | 162.5 | 0 | 0 | 0 | 119.3 | ||||
| 385 | S | 25.1 | Very low | 28.5 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | 149 | 115.3 | 116.1 | 53.2 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 386 | I | 25.1 | Very low | 28.4 | Very low | 143 Ų | 143 | 127.5 Ų | 127.5 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | 97.3 | 112.3 | 94.3 | -71.8 | 169.3 | 0 | 0 | 0 | 113.9 | |||||
| 387 | T | 24 | Very low | 28.2 | Very low | 123 Ų | 123 | 128 Ų | 128 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | 59.8 | 117.7 | 148.4 | 60.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 388 | S | 25.1 | Very low | 28.3 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | 145.6 | 109.8 | 101.7 | 62.7 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 389 | S | 27.1 | Very low | 28.4 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -132.6 | 115.3 | 165.2 | 50.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 390 | M | 31.8 | Very low | 28.6 | Very low | 183 Ų | 183 | 136.9 Ų | 136.9 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 149.8 | 165.1 | -80.4 | -165.6 | 163.6 | 0 | 0 | 110.5 | ||
| 391 | P | 33.5 | Very low | 28.8 | Very low | 115 Ų | 115 | 141.8 Ų | 141.8 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -80 | 138.4 | 175.7 | 31.8 | -31.3 | 0 | 0 | 0 | 110.8 | ||
| 392 | P | 32.7 | Very low | 28.9 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -79 | 125.4 | 162.4 | 28.8 | -27.9 | 0 | 0 | 0 | 110.2 | ||
| 393 | S | 30.9 | Very low | 29.1 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 157.7 | 169.5 | -65.5 | 0 | 0 | 0 | 0 | 112.5 | ||
| 394 | P | 33 | Very low | 29.2 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 145.4 | -156 | 32.2 | -31.9 | 0 | 0 | 0 | 113.9 | G396 | P394-G396 PolarHBondContact O-N 3.32Š|
| 395 | M | 31.7 | Very low | 29.3 | Very low | 185 Ų | 185 | 139 Ų | 139 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 128.2 | 166.4 | -72.1 | -150.6 | 81.1 | 0 | 0 | 110.2 | H397 | M395-H397 PolarHBondContact O-N 3.32Š|
| 396 | G | 29.4 | Very low | 29.5 | Very low | 82 Ų | 82 | 139.2 Ų | 139.2 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 119.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P394 | P394-G396 PolarHBondContact O-N 3.32Š|
| 397 | H | 27.9 | Very low | 29.6 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 83% | 0.833 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 121.3 | 165.1 | -122.6 | 68.1 | 0 | 0 | 0 | 108 | M395 Q399 | M395-H397 PolarHBondContact O-N 3.32Å; H397-Q399 PolarHBondContact O-N 3.22Å |
| 398 | Y | 29.5 | Very low | 29.7 | Very low | 236 Ų | 236 | 141.4 Ų | 141.4 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 117.1 | 170.5 | -131.5 | -94.2 | 0 | 0 | 0 | 108.1 | ||
| 399 | Q | 30.1 | Very low | 29.7 | Very low | 181 Ų | 181 | 141.6 Ų | 141.6 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | trans | -103.4 | 97.8 | -174.2 | -153.7 | 162.9 | 1 | 0 | 0 | 108.4 | H397 | H397-Q399 PolarHBondContact O-N 3.22Š| ||
| 400 | G | 30 | Very low | 29.6 | Very low | 73 Ų | 73 | 142.3 Ų | 142.3 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | -75.2 | 123.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | G402 | G400-G402 PolarHBondContact O-N 3.24Š| ||
| 401 | F | 33.1 | Very low | 29.6 | Very low | 202 Ų | 202 | 138.5 Ų | 138.5 | 89% | 0.886 | 80% | 0.804 | S | S | * | * | trans | -58 | 117 | 176.1 | -99 | -99.2 | 0 | 0 | 0 | 111.4 | ||||
| 402 | G | 29.4 | Very low | 29.2 | Very low | 68 Ų | 68 | 139.2 Ų | 139.2 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | -138.2 | 102.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | G400 T404 | G400-G402 PolarHBondContact O-N 3.24Å; G402-T404 PolarHBondContact O-N 2.69Å | ||
| 403 | H | 29.6 | Very low | 28.8 | Very low | 178 Ų | 178 | 138.9 Ų | 138.9 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | -66.9 | 123.1 | 171.9 | -99 | -84.7 | 0 | 0 | 0 | 109.7 | ||||
| 404 | T | 27.3 | Very low | 28.5 | Very low | 120 Ų | 120 | 138.2 Ų | 138.2 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | -76.3 | 134 | 169 | 13.7 | 0 | 0 | 0 | 0 | 110.9 | G402 | G402-T404 PolarHBondContact O-N 2.69Š| ||
| 405 | V | 28.6 | Very low | 28.1 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | trans | -116.1 | 107.3 | 148.3 | 178 | 0 | 0 | 0 | 0 | 107 | ||||
| 406 | T | 29.4 | Very low | 27.8 | Very low | 105 Ų | 105 | 141 Ų | 141 | 64% | 0.644 | 80% | 0.798 | S | S | * | * | trans | -80.4 | 149.9 | 173.6 | -28.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 407 | P | 27.2 | Very low | 27.6 | Very low | 121 Ų | 121 | 141.8 Ų | 141.8 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | -106.8 | 119.5 | 143.4 | 9.6 | 9.2 | 0 | 0 | 0 | 109.4 | ||||
| 408 | Q | 26.3 | Very low | 27.6 | Very low | 190 Ų | 190 | 140.2 Ų | 140.2 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | -72.1 | 138.9 | 171.7 | -78 | -179.5 | -34.2 | 0 | 0 | 111 | ||||
| 409 | T | 24.8 | Very low | 27.5 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | trans | -107.3 | 137.1 | 161.8 | 39 | 0 | 0 | 0 | 0 | 110 | ||||
| 410 | T | 24.8 | Very low | 27.5 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | trans | 145.3 | 163.3 | 143.3 | 41.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 411 | P | 32.6 | Very low | 27.4 | Very low | 103 Ų | 103 | 139.9 Ų | 139.9 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | -138 | 175.4 | -54.7 | 38.1 | -19.9 | 0 | 0 | 0 | 114.9 | |||||
| 412 | T | 24.2 | Very low | 27.1 | Very low | 130 Ų | 130 | 134.9 Ų | 134.9 | 80% | 0.798 | 77% | 0.774 | S | S | * | * | trans | 68.6 | 135.9 | 160.5 | 30.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 413 | T | 24.7 | Very low | 27.1 | Very low | 122 Ų | 122 | 139 Ų | 139 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | cis | -168.9 | 145.5 | 43.1 | -34.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 414 | S | 24.4 | Very low | 27.1 | Very low | 98 Ų | 98 | 136.3 Ų | 136.3 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | trans | 39.8 | 124.3 | 150.1 | 63.7 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 415 | K | 24.7 | Very low | 27.3 | Very low | 209 Ų | 209 | 138.6 Ų | 138.6 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | -177.7 | 151.8 | 109.1 | -96.2 | 175.4 | -175.5 | -178.1 | 0 | 112.6 | |||||
| 416 | I | 25.6 | Very low | 27.2 | Very low | 157 Ų | 157 | 134.4 Ų | 134.4 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | trans | -84.5 | 168.7 | -168.7 | -68.7 | 156 | 0 | 0 | 0 | 112.2 | ||||
| 417 | S | 26.1 | Very low | 27.2 | Very low | 98 Ų | 98 | 138.6 Ų | 138.6 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | trans | 100.2 | 138.3 | 159.3 | -28.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 418 | D | 26.5 | Very low | 27.3 | Very low | 147 Ų | 147 | 141.9 Ų | 141.9 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | cis | -170.3 | 175.4 | -2.6 | -103.3 | -31.1 | 0 | 0 | 0 | 106.5 | ||||
| 419 | E | 29.1 | Very low | 27.4 | Very low | 173 Ų | 173 | 142.3 Ų | 142.3 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | trans | 93.1 | 96.3 | 164.4 | -54.3 | -168.8 | 137.7 | 0 | 0 | 117.4 | ||||
| 420 | I | 30.1 | Very low | 27.8 | Very low | 149 Ų | 149 | 144.9 Ų | 144.9 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | 71.4 | 98.9 | 80.1 | -63.6 | 166.7 | 0 | 0 | 0 | 110.1 | |||||
| 421 | L | 26.6 | Very low | 28.9 | Very low | 160 Ų | 160 | 143.8 Ų | 143.8 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | 62.2 | 136.3 | 86.9 | -172.3 | 71.7 | 0 | 0 | 0 | 113.4 | |||||
| 422 | S | 27.2 | Very low | 28.9 | Very low | 98 Ų | 98 | 145 Ų | 145 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | trans | 83 | 130.7 | 175.2 | 73.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 423 | D | 29.4 | Very low | 29.4 | Very low | 153 Ų | 153 | 145.3 Ų | 145.3 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | cis | -149.9 | 143.5 | 30.1 | -95.6 | -40.4 | 0 | 0 | 0 | 113 | ||||
| 424 | T | 29.6 | Very low | 29.9 | Very low | 122 Ų | 122 | 147.8 Ų | 147.8 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -108 | 157.6 | 156.1 | -47.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 425 | I | 31.1 | Very low | 30.3 | Very low | 169 Ų | 169 | 148.4 Ų | 148.4 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | 91 | 130.1 | 169.1 | -48.4 | 159.3 | 0 | 0 | 0 | 111.4 | ||||
| 426 | G | 27.3 | Very low | 31.2 | Very low | 58 Ų | 58 | 146.9 Ų | 146.9 | 60% | 0.598 | 79% | 0.791 | S | S | * | * | cis | 145.2 | 129.8 | 20.4 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 427 | E | 29.1 | Very low | 31.9 | Very low | 193 Ų | 193 | 146.3 Ų | 146.3 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | 156.3 | 124.5 | 126.8 | -87.4 | -172.8 | 97.9 | 0 | 0 | 105.9 | |||||
| 428 | K | 29.4 | Very low | 32.9 | Very low | 189 Ų | 189 | 150.8 Ų | 150.8 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | 71.1 | 99.8 | 64.9 | -146.7 | -174.5 | -163.8 | -179 | 0 | 114.8 | |||||
| 429 | K | 29.1 | Very low | 33.2 | Very low | 200 Ų | 200 | 151 Ų | 151 | 87% | 0.87 | 82% | 0.822 | S | S | * | * | 166.6 | 129.8 | 122.8 | -96.7 | 175.9 | 174.3 | 173.7 | 0 | 115.5 | |||||
| 430 | E | 31.5 | Very low | 33.4 | Very low | 179 Ų | 179 | 149.8 Ų | 149.8 | 84% | 0.836 | 82% | 0.823 | S | S | * | * | trans | -34.5 | -173.5 | 152.1 | -86.8 | 179.2 | 131.1 | 0 | 0 | 119.2 | ||||
| 431 | P | 49.5 | Very low | 33.6 | Very low | 113 Ų | 113 | 149.9 Ų | 149.9 | 73% | 0.734 | 83% | 0.826 | S | S | * | * | cis | -138.4 | 178.6 | -37.6 | 36.5 | -18.8 | 0 | 0 | 0 | 112.6 | ||||
| 432 | S | 30.6 | Very low | 34 | Very low | 129 Ų | 129 | 149.3 Ų | 149.3 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | trans | -160.4 | 140.9 | 145.3 | -164.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 433 | D | 35.8 | Very low | 34.4 | Very low | 135 Ų | 135 | 152.5 Ų | 152.5 | 72% | 0.722 | 83% | 0.834 | S | S | * | * | trans | -102.2 | 167.2 | -165.6 | -173.6 | 18.2 | 0 | 0 | 0 | 112.3 | ||||
| 434 | K | 35.8 | Very low | 34.8 | Very low | 174 Ų | 174 | 152.5 Ų | 152.5 | 76% | 0.757 | 84% | 0.835 | S | S | * | * | trans | 110.1 | 134.8 | 142.8 | -96.6 | 173.2 | -172.2 | 179.7 | 0 | 125.7 | ||||
| 435 | S | 32.9 | Very low | 35.1 | Very low | 112 Ų | 112 | 154.6 Ų | 154.6 | 78% | 0.783 | 84% | 0.842 | S | S | * | * | trans | 80.5 | 116.9 | 152.9 | 63.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 436 | M | 41.8 | Very low | 35.4 | Very low | 177 Ų | 177 | 153.5 Ų | 153.5 | 87% | 0.872 | 84% | 0.84 | S | S | * | * | cis | 78.1 | 134.8 | 35 | -134 | 174.5 | 101.6 | 0 | 0 | 115 | ||||
| 437 | D | 42.3 | Very low | 36.1 | Very low | 145 Ų | 145 | 161.5 Ų | 161.5 | 78% | 0.775 | 86% | 0.86 | S | S | * | * | trans | 106.2 | 123.4 | 178.7 | -61.7 | -12.6 | 0 | 0 | 0 | 113.1 | ||||
| 438 | S | 45.3 | Very low | 36.7 | Very low | 192 Ų | 192 | 158.6 Ų | 158.6 | 100% | 1.343 | 86% | 0.856 | S | S | * | * | cis | -141.6 | 0 | 17 | -59.5 | 0 | 0 | 0 | 0 | 112.6 |
Retrieved 438 of 438 residues in 453.7 ms
(Link to these results)