| 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 | 52.8 | Low | 66.3 | Low | 214 Ų | 214 | 126 Ų | 126 | 100% | 1.054 | 62% | 0.616 | S | S | * | * | 0 | 78.9 | 0 | -103.9 | 157.3 | 73.9 | 0 | 0 | 108.4 | |||||
| 2 | N | 57.3 | Low | 66.3 | Low | 107 Ų | 107 | 123.3 Ų | 123.3 | 57% | 0.572 | 61% | 0.606 | S | S | * | * | trans | -113.9 | -10.7 | -175.2 | -64.5 | -1.7 | 0 | 0 | 0 | 112.7 | T4 N5 Y6 | N2-T4 VanDerWaalsContact C-N 3.33Å; N2-T4 PolarHBondContact O-N 2.77Å; N2-N5 PolarHBondContact O-N 3.14Å; N2-Y6 HydrophobicContact CB-CD2 4.48Å; N2-Y6 HydrophobicContact CB-CE2 4.18Å; N2-Y6 WeakPolarHBondContact O-CD2 3.42Å; N2-Y6 PolarHBondContact O-N 3.19Å | ||
| 3 | Y | 59 | Low | 66 | Low | 190 Ų | 190 | 119.9 Ų | 119.9 | 75% | 0.745 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.7 | -33.8 | -176 | -66.5 | -77.1 | 0 | 0 | 0 | 113.3 | N5 Y6 I7 | Y3-N5 VanDerWaalsContact C-N 3.33Å; Y3-N5 PolarHBondContact O-N 2.92Å; Y3-Y6 PolarHBondContact O-N 3.35Å; Y3-I7 VanDerWaalsContact O-CG1 3.3Å; Y3-I7 WeakPolarHBondContact O-CG1 3.26Å; Y3-I7 PolarHBondContact O-N 3.21Å |
| 4 | T | 65.5 | Low | 66 | Low | 86 Ų | 86 | 116.8 Ų | 116.8 | 53% | 0.528 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.1 | -37.7 | 178.5 | -24.6 | 0 | 0 | 0 | 0 | 112.1 | N2 I7 L8 | N2-T4 VanDerWaalsContact C-N 3.33Å; N2-T4 PolarHBondContact O-N 2.77Å; T4-I7 PolarHBondContact O-N 3.24Å; T4-L8 WeakPolarHBondContact O-CB 2.89Å; T4-L8 WeakPolarHBondContact O-CG 3.41Å; T4-L8 PolarHBondContact O-N 2.87Å |
| 5 | N | 62.1 | Low | 65.7 | Low | 117 Ų | 117 | 115.9 Ų | 115.9 | 63% | 0.626 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -70.1 | -35.6 | 176.4 | -79.3 | 1.1 | 0 | 0 | 0 | 112.2 | N2 Y3 A9 | N2-N5 PolarHBondContact O-N 3.14Å; Y3-N5 VanDerWaalsContact C-N 3.33Å; Y3-N5 PolarHBondContact O-N 2.92Å; N5-A9 WeakPolarHBondContact O-CB 3.26Å; N5-A9 PolarHBondContact O-N 3.22Å |
| 6 | Y | 70 | Confident | 64.9 | Low | 169 Ų | 169 | 117.9 Ų | 117.9 | 66% | 0.663 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -69.5 | -38.2 | 174.9 | -74.5 | -73.6 | 0 | 0 | 0 | 112.4 | N2 Y3 A9 F10 | N2-Y6 HydrophobicContact CB-CD2 4.48Å; N2-Y6 HydrophobicContact CB-CE2 4.18Å; N2-Y6 WeakPolarHBondContact O-CD2 3.42Å; N2-Y6 PolarHBondContact O-N 3.19Å; Y3-Y6 PolarHBondContact O-N 3.35Å; Y6-A9 PolarHBondContact O-N 2.81Å; Y6-F10 WeakPolarHBondContact O-CB 3.34Å; Y6-F10 PolarHBondContact O-N 3.15Å |
| 7 | I | 73.5 | Confident | 64.2 | Low | 101 Ų | 101 | 116.6 Ų | 116.6 | 52% | 0.518 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.6 | -44 | 175.8 | -67 | 165.1 | 0 | 0 | 0 | 110.4 | Y3 T4 F10 Q11 | Y3-I7 VanDerWaalsContact O-CG1 3.3Å; Y3-I7 WeakPolarHBondContact O-CG1 3.26Å; Y3-I7 PolarHBondContact O-N 3.21Å; T4-I7 PolarHBondContact O-N 3.24Å; I7-F10 PolarHBondContact O-N 3.07Å; I7-Q11 WeakPolarHBondContact O-CG 3.45Å; I7-Q11 PolarHBondContact O-N 3.47Å |
| 8 | L | 71.9 | Confident | 63.6 | Low | 92 Ų | 92 | 112.6 Ų | 112.6 | 48% | 0.482 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.1 | -43.6 | 175.7 | -75.8 | 167.8 | 0 | 0 | 0 | 112.1 | T4 F10 Q11 L12 | T4-L8 WeakPolarHBondContact O-CB 2.89Å; T4-L8 WeakPolarHBondContact O-CG 3.41Å; T4-L8 PolarHBondContact O-N 2.87Å; L8-F10 VanDerWaalsContact C-N 3.33Å; L8-F10 PolarHBondContact O-N 3.09Å; L8-Q11 PolarHBondContact O-N 2.98Å; L8-L12 WeakPolarHBondContact O-CB 3.38Å; L8-L12 WeakPolarHBondContact O-CG 3.38Å; L8-L12 PolarHBondContact O-N 3.36Å |
| 9 | A | 72.2 | Confident | 63 | Low | 52 Ų | 52 | 109.7 Ų | 109.7 | 43% | 0.43 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.7 | -39.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | N5 Y6 L12 C13 | N5-A9 WeakPolarHBondContact O-CB 3.26Å; N5-A9 PolarHBondContact O-N 3.22Å; Y6-A9 PolarHBondContact O-N 2.81Å; A9-L12 PolarHBondContact O-N 3.01Å; A9-C13 PolarHBondContact O-N 2.87Å |
| 10 | F | 72.5 | Confident | 62.7 | Low | 144 Ų | 144 | 106.3 Ų | 106.3 | 63% | 0.632 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.3 | -43.1 | 176.4 | -173.8 | -99.3 | 0 | 0 | 0 | 112.1 | Y6 I7 L8 L12 C13 V14 | Y6-F10 WeakPolarHBondContact O-CB 3.34Å; Y6-F10 PolarHBondContact O-N 3.15Å; I7-F10 PolarHBondContact O-N 3.07Å; L8-F10 VanDerWaalsContact C-N 3.33Å; L8-F10 PolarHBondContact O-N 3.09Å; F10-L12 PolarHBondContact O-N 3.31Å; F10-C13 PolarHBondContact O-N 3.49Å; F10-V14 HydrophobicContact CD1-CG2 4.22Å; F10-V14 HydrophobicContact CE1-CG2 3.86Å; F10-V14 HydrophobicContact CZ-CG2 4.07Å; F10-V14 WeakPolarHBondContact O-CG2 3.37Å; F10-V14 PolarHBondContact O-N 3.02Å |
| 11 | Q | 72.9 | Confident | 62.4 | Low | 114 Ų | 114 | 109.3 Ų | 109.3 | 53% | 0.533 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.4 | -40.6 | 175.6 | -73.2 | -160 | -16.4 | 0 | 0 | 112.2 | I7 L8 V14 I15 | I7-Q11 WeakPolarHBondContact O-CG 3.45Å; I7-Q11 PolarHBondContact O-N 3.47Å; L8-Q11 PolarHBondContact O-N 2.98Å; Q11-V14 PolarHBondContact O-N 3.48Å; Q11-I15 WeakPolarHBondContact O-CD1 3.46Å; Q11-I15 VanDerWaalsContact O-CG1 3.25Å; Q11-I15 WeakPolarHBondContact O-CG1 3.25Å; Q11-I15 PolarHBondContact O-N 3.37Å |
| 12 | L | 66.2 | Low | 62.6 | Low | 94 Ų | 94 | 107.2 Ų | 107.2 | 49% | 0.492 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 173.5 | -72.1 | 170.1 | 0 | 0 | 0 | 111.4 | L8 A9 F10 V14 I15 F16 | L8-L12 WeakPolarHBondContact O-CB 3.38Å; L8-L12 WeakPolarHBondContact O-CG 3.38Å; L8-L12 PolarHBondContact O-N 3.36Å; A9-L12 PolarHBondContact O-N 3.01Å; F10-L12 PolarHBondContact O-N 3.31Å; L12-V14 PolarHBondContact O-N 3.2Å; L12-I15 PolarHBondContact O-N 3.08Å; L12-F16 HydrophobicContact CD2-CE2 4.46Å; L12-F16 WeakPolarHBondContact O-CB 3.4Å; L12-F16 VanDerWaalsContact O-CD2 3.27Å; L12-F16 WeakPolarHBondContact O-CD2 3.46Å; L12-F16 PolarHBondContact O-N 3.31Å |
| 13 | C | 62.4 | Low | 62.8 | Low | 79 Ų | 79 | 106.2 Ų | 106.2 | 53% | 0.534 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.9 | -41.7 | 175.4 | -86.1 | 0 | 0 | 0 | 0 | 112.9 | A9 F10 F16 C17 | A9-C13 PolarHBondContact O-N 2.87Å; F10-C13 PolarHBondContact O-N 3.49Å; C13-F16 PolarHBondContact O-N 3.41Å; C13-C17 WeakPolarHBondContact O-CB 3.5Å; C13-C17 PolarHBondContact O-N 3.07Å; C13-C17 PolarHBondContact O-SG 3.32Å; C13-C17 VanDerWaalsContact O-SG 3.4Å |
| 14 | V | 65.3 | Low | 63.2 | Low | 76 Ų | 76 | 101.8 Ų | 101.8 | 46% | 0.461 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.6 | -39.3 | 178.2 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | F10 Q11 L12 S18 | F10-V14 HydrophobicContact CD1-CG2 4.22Å; F10-V14 HydrophobicContact CE1-CG2 3.86Å; F10-V14 HydrophobicContact CZ-CG2 4.07Å; F10-V14 WeakPolarHBondContact O-CG2 3.37Å; F10-V14 PolarHBondContact O-N 3.02Å; Q11-V14 PolarHBondContact O-N 3.48Å; L12-V14 PolarHBondContact O-N 3.2Å; V14-S18 VanDerWaalsContact O-CB 3.24Å; V14-S18 WeakPolarHBondContact O-CB 3.38Å; V14-S18 PolarHBondContact O-N 2.9Å; V14-S18 PolarHBondContact O-OG 3.18Å |
| 15 | I | 61.4 | Low | 63.5 | Low | 104 Ų | 104 | 100.1 Ų | 100.1 | 53% | 0.533 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.9 | -42.5 | 177.3 | -65.4 | 164.9 | 0 | 0 | 0 | 111.3 | Q11 L12 S18 S19 | Q11-I15 WeakPolarHBondContact O-CD1 3.46Å; Q11-I15 VanDerWaalsContact O-CG1 3.25Å; Q11-I15 WeakPolarHBondContact O-CG1 3.25Å; Q11-I15 PolarHBondContact O-N 3.37Å; L12-I15 PolarHBondContact O-N 3.08Å; I15-S18 WeakPolarHBondContact CA-OG 3.4Å; I15-S18 PolarHBondContact O-OG 3.48Å; I15-S18 VanDerWaalsContact O-OG 3.08Å; I15-S19 WeakPolarHBondContact O-CB 3.4Å; I15-S19 PolarHBondContact O-N 3.05Å; I15-S19 PolarHBondContact O-OG 3.27Å |
| 16 | F | 54.2 | Low | 64.3 | Low | 148 Ų | 148 | 98.6 Ų | 98.6 | 65% | 0.649 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -71.5 | -36.8 | 177.9 | -86.3 | -74.9 | 0 | 0 | 0 | 113.3 | L12 C13 S19 | L12-F16 HydrophobicContact CD2-CE2 4.46Å; L12-F16 WeakPolarHBondContact O-CB 3.4Å; L12-F16 VanDerWaalsContact O-CD2 3.27Å; L12-F16 WeakPolarHBondContact O-CD2 3.46Å; L12-F16 PolarHBondContact O-N 3.31Å; C13-F16 PolarHBondContact O-N 3.41Å; F16-S19 PolarHBondContact O-OG 3.16Å; F16-S19 VanDerWaalsContact O-OG 3.1Å |
| 17 | C | 52.3 | Low | 65 | Low | 95 Ų | 95 | 92.2 Ų | 92.2 | 64% | 0.642 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -71.9 | -36.6 | 175.7 | -77.9 | 0 | 0 | 0 | 0 | 112.2 | C13 Y21 | C13-C17 WeakPolarHBondContact O-CB 3.5Å; C13-C17 PolarHBondContact O-N 3.07Å; C13-C17 PolarHBondContact O-SG 3.32Å; C13-C17 VanDerWaalsContact O-SG 3.4Å; C17-Y21 PolarHBondContact O-N 3.28Å |
| 18 | S | 52.7 | Low | 65.6 | Low | 45 Ų | 45 | 92.9 Ų | 92.9 | 32% | 0.315 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.6 | -40.9 | 178 | 54.4 | 0 | 0 | 0 | 0 | 112.1 | V14 I15 G20 Y21 Y22 | V14-S18 VanDerWaalsContact O-CB 3.24Å; V14-S18 WeakPolarHBondContact O-CB 3.38Å; V14-S18 PolarHBondContact O-N 2.9Å; V14-S18 PolarHBondContact O-OG 3.18Å; I15-S18 WeakPolarHBondContact CA-OG 3.4Å; I15-S18 PolarHBondContact O-OG 3.48Å; I15-S18 VanDerWaalsContact O-OG 3.08Å; S18-G20 VanDerWaalsContact C-N 3.33Å; S18-G20 PolarHBondContact O-N 3.28Å; S18-Y21 PolarHBondContact O-N 3.24Å; S18-Y21 VanDerWaalsContact O-N 3.16Å; S18-Y22 WeakPolarHBondContact O-CD2 3.49Å; S18-Y22 PolarHBondContact O-N 3.3Å |
| 19 | S | 53.5 | Low | 66.5 | Low | 57 Ų | 57 | 94.9 Ų | 94.9 | 40% | 0.399 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 179.7 | 67.3 | 0 | 0 | 0 | 0 | 112.8 | I15 F16 C23 | I15-S19 WeakPolarHBondContact O-CB 3.4Å; I15-S19 PolarHBondContact O-N 3.05Å; I15-S19 PolarHBondContact O-OG 3.27Å; F16-S19 PolarHBondContact O-OG 3.16Å; F16-S19 VanDerWaalsContact O-OG 3.1Å; S19-C23 WeakPolarHBondContact O-CB 3.39Å; S19-C23 PolarHBondContact O-N 3.02Å; S19-C23 VanDerWaalsContact O-N 3.08Å; S19-C23 PolarHBondContact O-SG 3.1Å |
| 20 | G | 55.6 | Low | 67.4 | Low | 42 Ų | 42 | 92.9 Ų | 92.9 | 43% | 0.433 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S18 Q24 | S18-G20 VanDerWaalsContact C-N 3.33Å; S18-G20 PolarHBondContact O-N 3.28Å; G20-Q24 WeakPolarHBondContact O-CB 3.13Å; G20-Q24 PolarHBondContact O-N 3.43Å; G20-Q24 VanDerWaalsContact O-N 3.14Å |
| 21 | Y | 57.1 | Low | 68.3 | Low | 169 Ų | 169 | 88.3 Ų | 88.3 | 66% | 0.663 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -70.2 | -42.8 | 179.6 | -171 | -99.2 | 0 | 0 | 0 | 112.7 | C17 S18 Q24 A25 | C17-Y21 PolarHBondContact O-N 3.28Å; S18-Y21 PolarHBondContact O-N 3.24Å; S18-Y21 VanDerWaalsContact O-N 3.16Å; Y21-Q24 PolarHBondContact O-N 3.17Å; Y21-A25 WeakPolarHBondContact O-CB 3.09Å; Y21-A25 PolarHBondContact O-N 2.86Å |
| 22 | Y | 57.4 | Low | 69.2 | Low | 171 Ų | 171 | 87.4 Ų | 87.4 | 67% | 0.671 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.9 | -41 | 176.6 | -83.1 | -73.6 | 0 | 0 | 0 | 112.1 | S18 Q24 A25 M26 | S18-Y22 WeakPolarHBondContact O-CD2 3.49Å; S18-Y22 PolarHBondContact O-N 3.3Å; Y22-Q24 PolarHBondContact O-N 3.25Å; Y22-A25 PolarHBondContact O-N 3.4Å; Y22-M26 WeakPolarHBondContact O-CB 3.39Å; Y22-M26 PolarHBondContact O-N 3.35Å |
| 23 | C | 60.5 | Low | 70.5 | Confident | 86 Ų | 86 | 85.9 Ų | 85.9 | 58% | 0.581 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -63.1 | -41.1 | 175.4 | -73.8 | 0 | 0 | 0 | 0 | 112.1 | S19 M26 F27 | S19-C23 WeakPolarHBondContact O-CB 3.39Å; S19-C23 PolarHBondContact O-N 3.02Å; S19-C23 VanDerWaalsContact O-N 3.08Å; S19-C23 PolarHBondContact O-SG 3.1Å; C23-M26 PolarHBondContact O-N 3.13Å; C23-F27 PolarHBondContact O-N 2.86Å |
| 24 | Q | 67.7 | Low | 71.9 | Confident | 97 Ų | 97 | 83 Ų | 83 | 45% | 0.453 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68.3 | -40.5 | 178.2 | -174.8 | 170.9 | -1.9 | 0 | 0 | 112.2 | G20 Y21 Y22 F27 F28 | G20-Q24 WeakPolarHBondContact O-CB 3.13Å; G20-Q24 PolarHBondContact O-N 3.43Å; G20-Q24 VanDerWaalsContact O-N 3.14Å; Y21-Q24 PolarHBondContact O-N 3.17Å; Y22-Q24 PolarHBondContact O-N 3.25Å; Q24-F27 PolarHBondContact O-N 3.41Å; Q24-F28 HydrophobicContact CG-CD2 3.9Å; Q24-F28 HydrophobicContact CG-CE2 3.55Å; Q24-F28 WeakPolarHBondContact O-CD2 3.3Å; Q24-F28 PolarHBondContact O-N 2.96Å; Q24-F28 VanDerWaalsContact O-N 3.13Å |
| 25 | A | 73.1 | Confident | 73.2 | Confident | 50 Ų | 50 | 82.6 Ų | 82.6 | 41% | 0.413 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y21 Y22 K29 | Y21-A25 WeakPolarHBondContact O-CB 3.09Å; Y21-A25 PolarHBondContact O-N 2.86Å; Y22-A25 PolarHBondContact O-N 3.4Å; A25-K29 PolarHBondContact O-N 3.12Å; A25-K29 VanDerWaalsContact O-N 3.14Å |
| 26 | M | 79.1 | Confident | 74.8 | Confident | 85 Ų | 85 | 84.9 Ų | 84.9 | 42% | 0.419 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.7 | -45.2 | 175.6 | -168.8 | 174.1 | -170.2 | 0 | 0 | 111.3 | Y22 C23 F28 K29 E30 | Y22-M26 WeakPolarHBondContact O-CB 3.39Å; Y22-M26 PolarHBondContact O-N 3.35Å; C23-M26 PolarHBondContact O-N 3.13Å; M26-F28 PolarHBondContact O-N 3.37Å; M26-K29 WeakPolarHBondContact O-CB 3.36Å; M26-K29 PolarHBondContact O-N 2.94Å; M26-E30 WeakPolarHBondContact O-CG 3.37Å; M26-E30 PolarHBondContact O-N 3.02Å; M26-E30 VanDerWaalsContact O-N 3.07Å |
| 27 | F | 82.7 | Confident | 76.7 | Confident | 36 Ų | 36 | 82.6 Ų | 82.6 | 16% | 0.158 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -57.6 | -46 | 177 | 175.2 | -102.2 | 0 | 0 | 0 | 113.1 | C23 Q24 K29 E30 I31 I96 D99 | C23-F27 PolarHBondContact O-N 2.86Å; Q24-F27 PolarHBondContact O-N 3.41Å; F27-K29 VanDerWaalsContact C-N 3.32Å; F27-K29 PolarHBondContact O-N 3.29Å; F27-E30 PolarHBondContact O-N 2.81Å; F27-I31 HydrophobicContact CD1-CD1 3.86Å; F27-I31 HydrophobicContact CE1-CD1 3.28Å; F27-I31 HydrophobicContact CE1-CG1 4.43Å; F27-I31 HydrophobicContact CE2-CD1 4.15Å; F27-I31 HydrophobicContact CZ-CD1 3.47Å; F27-I31 VanDerWaalsContact CZ-CD1 3.47Å; F27-I31 HydrophobicContact CZ-CG1 4.39Å; F27-I31 PolarHBondContact O-N 3.28Å; F27-I31 VanDerWaalsContact O-N 3.14Å; F27-I96 HydrophobicContact CD2-CG1 4.17Å; F27-I96 HydrophobicContact CE2-CB 4.32Å; F27-I96 HydrophobicContact CE2-CG1 4.01Å; F27-I96 HydrophobicContact CE2-CG2 4.16Å; F27-D99 HydrophobicContact CD2-CB 3.84Å; F27-D99 VanDerWaalsContact CD2-OD2 3.32Å; F27-D99 WeakPolarHBondContact CD2-OD2 3.31Å; F27-D99 HydrophobicContact CE2-CB 4Å; F27-D99 WeakPolarHBondContact CE2-OD2 3.39Å |
| 28 | F | 86.6 | Confident | 78.6 | Confident | 115 Ų | 115 | 82.3 Ų | 82.3 | 50% | 0.504 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.7 | -36.7 | 177.4 | -78.5 | -62.4 | 0 | 0 | 0 | 112.9 | Q24 M26 I31 E32 | Q24-F28 HydrophobicContact CG-CD2 3.9Å; Q24-F28 HydrophobicContact CG-CE2 3.55Å; Q24-F28 WeakPolarHBondContact O-CD2 3.3Å; Q24-F28 PolarHBondContact O-N 2.96Å; Q24-F28 VanDerWaalsContact O-N 3.13Å; M26-F28 PolarHBondContact O-N 3.37Å; F28-I31 PolarHBondContact O-N 2.86Å; F28-E32 PolarHBondContact O-N 3.36Å |
| 29 | K | 90.3 | Very high | 80.5 | Confident | 133 Ų | 133 | 84.6 Ų | 84.6 | 58% | 0.578 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61.5 | -48.7 | 176.2 | -174.4 | -175.4 | 174.3 | -174.8 | 0 | 111.3 | A25 M26 F27 I31 E32 D33 | A25-K29 PolarHBondContact O-N 3.12Å; A25-K29 VanDerWaalsContact O-N 3.14Å; M26-K29 WeakPolarHBondContact O-CB 3.36Å; M26-K29 PolarHBondContact O-N 2.94Å; F27-K29 VanDerWaalsContact C-N 3.32Å; F27-K29 PolarHBondContact O-N 3.29Å; K29-I31 PolarHBondContact O-N 3.04Å; K29-E32 PolarHBondContact O-N 3.42Å; K29-D33 PolarHBondContact O-N 3.4Å |
| 30 | E | 91.7 | Very high | 82.4 | Confident | 10 Ų | 10 | 83.7 Ų | 83.7 | 5% | 0.047 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.2 | -30.3 | 179.4 | -59 | -68 | 169.8 | 0 | 0 | 111.8 | M26 F27 L34 R91 S92 T95 I96 | M26-E30 WeakPolarHBondContact O-CG 3.37Å; M26-E30 PolarHBondContact O-N 3.02Å; M26-E30 VanDerWaalsContact O-N 3.07Å; F27-E30 PolarHBondContact O-N 2.81Å; E30-L34 PolarHBondContact O-N 3.02Å; E30-L34 VanDerWaalsContact O-N 3.12Å; E30-R91 IonicContact OE1-NE 3.46Å; E30-S92 WeakPolarHBondContact OE2-CA 3.33Å; E30-S92 WeakPolarHBondContact OE2-CB 3.32Å; E30-S92 PolarHBondContact OE2-OG 3.38Å; E30-T95 HydrophobicContact CG-CG2 4.09Å; E30-I96 HydrophobicContact CB-CD1 4.08Å; E30-I96 HydrophobicContact CB-CG1 4.22Å |
| 31 | I | 92.3 | Very high | 84 | Confident | 49 Ų | 49 | 85.3 Ų | 85.3 | 25% | 0.251 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.3 | -43.1 | 172.2 | -73.1 | 173.3 | 0 | 0 | 0 | 111 | F27 F28 K29 D33 L34 K35 I96 | F27-I31 HydrophobicContact CD1-CD1 3.86Å; F27-I31 HydrophobicContact CE1-CD1 3.28Å; F27-I31 HydrophobicContact CE1-CG1 4.43Å; F27-I31 HydrophobicContact CE2-CD1 4.15Å; F27-I31 HydrophobicContact CZ-CD1 3.47Å; F27-I31 VanDerWaalsContact CZ-CD1 3.47Å; F27-I31 HydrophobicContact CZ-CG1 4.39Å; F27-I31 PolarHBondContact O-N 3.28Å; F27-I31 VanDerWaalsContact O-N 3.14Å; F28-I31 PolarHBondContact O-N 2.86Å; K29-I31 PolarHBondContact O-N 3.04Å; I31-D33 VanDerWaalsContact C-N 3.34Å; I31-L34 PolarHBondContact O-N 3.48Å; I31-K35 HydrophobicContact CG2-CD 3.96Å; I31-K35 HydrophobicContact CG2-CG 4.34Å; I31-K35 WeakPolarHBondContact O-CG 3.46Å; I31-K35 PolarHBondContact O-N 2.86Å; I31-I96 HydrophobicContact CB-CD1 4.45Å; I31-I96 HydrophobicContact CG1-CD1 3.64Å; I31-I96 HydrophobicContact CG1-CG1 4.11Å |
| 32 | E | 92.1 | Very high | 85.6 | Confident | 95 Ų | 95 | 80.2 Ų | 80.2 | 44% | 0.444 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.7 | -40.1 | -179.5 | -150.7 | 62.5 | -156.2 | 0 | 0 | 110.9 | F28 K29 L34 K35 E36 | F28-E32 PolarHBondContact O-N 3.36Å; K29-E32 PolarHBondContact O-N 3.42Å; E32-L34 VanDerWaalsContact C-N 3.32Å; E32-L34 PolarHBondContact O-N 2.58Å; E32-K35 VanDerWaalsContact CD-NZ 3.29Å; E32-K35 WeakPolarHBondContact O-CB 3.29Å; E32-K35 PolarHBondContact O-N 3.07Å; E32-K35 VanDerWaalsContact O-N 3.13Å; E32-K35 IonicContact OE1-NZ 3.39Å; E32-K35 PolarHBondContact OE1-NZ 2.96Å; E32-K35 IonicContact OE2-NZ 2.81Å; E32-K35 PolarHBondContact OE2-NZ 3.23Å; E32-E36 PolarHBondContact O-N 3.04Å |
| 33 | D | 92.1 | Very high | 87 | Confident | 62 Ų | 62 | 77.5 Ų | 77.5 | 33% | 0.332 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.4 | -41.9 | 173.5 | -65.4 | -16.8 | 0 | 0 | 0 | 111.1 | K29 I31 Y37 | K29-D33 PolarHBondContact O-N 3.4Å; I31-D33 VanDerWaalsContact C-N 3.34Å; D33-Y37 WeakPolarHBondContact O-CB 3.4Å; D33-Y37 PolarHBondContact O-N 2.81Å |
| 34 | L | 92.8 | Very high | 88.4 | Confident | 18 Ų | 18 | 78 Ų | 78 | 9% | 0.094 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -66.1 | -41.5 | 173 | -79.9 | -178.5 | 0 | 0 | 0 | 112.8 | E30 I31 E32 E36 Y37 F38 F80 I89 M93 I96 | E30-L34 PolarHBondContact O-N 3.02Å; E30-L34 VanDerWaalsContact O-N 3.12Å; I31-L34 PolarHBondContact O-N 3.48Å; E32-L34 VanDerWaalsContact C-N 3.32Å; E32-L34 PolarHBondContact O-N 2.58Å; L34-E36 VanDerWaalsContact C-N 3.31Å; L34-E36 PolarHBondContact O-N 3.5Å; L34-Y37 PolarHBondContact O-N 2.97Å; L34-F38 HydrophobicContact CD2-CD2 4.47Å; L34-F38 HydrophobicContact CD2-CE2 4.11Å; L34-F38 WeakPolarHBondContact O-CD2 3.42Å; L34-F38 PolarHBondContact O-N 3.31Å; L34-F80 HydrophobicContact CD1-CE1 4.45Å; L34-I89 HydrophobicContact CD2-CB 3.71Å; L34-I89 HydrophobicContact CD2-CD1 4.16Å; L34-I89 HydrophobicContact CD2-CG2 3.86Å; L34-M93 HydrophobicContact CD1-CG 4.33Å; L34-M93 HydrophobicContact CD2-CG 3.94Å; L34-I96 HydrophobicContact CD1-CD1 3.35Å; L34-I96 HydrophobicContact CG-CD1 4.25Å |
| 35 | K | 93.3 | Very high | 89.4 | Confident | 67 Ų | 67 | 77.2 Ų | 77.2 | 29% | 0.291 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 178.2 | -78.1 | 172.1 | 65.5 | -144.9 | 0 | 111 | I31 E32 N39 A40 | I31-K35 HydrophobicContact CG2-CD 3.96Å; I31-K35 HydrophobicContact CG2-CG 4.34Å; I31-K35 WeakPolarHBondContact O-CG 3.46Å; I31-K35 PolarHBondContact O-N 2.86Å; E32-K35 VanDerWaalsContact CD-NZ 3.29Å; E32-K35 WeakPolarHBondContact O-CB 3.29Å; E32-K35 PolarHBondContact O-N 3.07Å; E32-K35 VanDerWaalsContact O-N 3.13Å; E32-K35 IonicContact OE1-NZ 3.39Å; E32-K35 PolarHBondContact OE1-NZ 2.96Å; E32-K35 IonicContact OE2-NZ 2.81Å; E32-K35 PolarHBondContact OE2-NZ 3.23Å; K35-N39 CarbonylContact O-C 3.59Å; K35-N39 PolarHBondContact O-N 3.07Å; K35-N39 VanDerWaalsContact O-N 3.09Å; K35-A40 HydrophobicContact CB-CB 4.22Å; K35-A40 HydrophobicContact CG-CB 4.22Å; K35-A40 PolarHBondContact O-N 3.25Å |
| 36 | E | 93.6 | Very high | 90 | Very high | 152 Ų | 152 | 78.4 Ų | 78.4 | 71% | 0.71 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.5 | -48.1 | 175.1 | -172.5 | 175 | 178.1 | 0 | 0 | 110.7 | E32 L34 F38 N39 | E32-E36 PolarHBondContact O-N 3.04Å; L34-E36 VanDerWaalsContact C-N 3.31Å; L34-E36 PolarHBondContact O-N 3.5Å; E36-F38 PolarHBondContact O-N 3.01Å; E36-N39 PolarHBondContact O-N 3.46Å |
| 37 | Y | 93.8 | Very high | 90.4 | Very high | 101 Ų | 101 | 80.4 Ų | 80.4 | 40% | 0.396 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58.2 | -43.9 | 179.4 | -177.9 | -94.2 | 0 | 0 | 0 | 113.4 | D33 L34 N39 N86 I88 I89 | D33-Y37 WeakPolarHBondContact O-CB 3.4Å; D33-Y37 PolarHBondContact O-N 2.81Å; L34-Y37 PolarHBondContact O-N 2.97Å; Y37-N39 VanDerWaalsContact C-N 3.27Å; Y37-N39 PolarHBondContact O-N 3.22Å; Y37-N86 PolarHBondContact OH-ND2 3.17Å; Y37-I88 HydrophobicContact CD2-CG2 4.18Å; Y37-I88 HydrophobicContact CE2-CB 4.49Å; Y37-I88 HydrophobicContact CE2-CD1 4.4Å; Y37-I88 HydrophobicContact CE2-CG2 4.33Å; Y37-I89 HydrophobicContact CD1-CD1 3.9Å; Y37-I89 HydrophobicContact CD1-CG2 3.68Å; Y37-I89 HydrophobicContact CD2-CG2 3.63Å; Y37-I89 HydrophobicContact CE1-CD1 3.83Å; Y37-I89 HydrophobicContact CE1-CG1 4.44Å; Y37-I89 HydrophobicContact CE1-CG2 4.28Å; Y37-I89 HydrophobicContact CE2-CG2 4.25Å; Y37-I89 HydrophobicContact CG-CG2 3.34Å |
| 38 | F | 93.3 | Very high | 90.5 | Very high | 89 Ų | 89 | 83 Ų | 83 | 39% | 0.39 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 1.9 | 179.3 | -77.2 | -73.4 | 0 | 0 | 0 | 113.8 | L34 E36 A40 F83 I89 | L34-F38 HydrophobicContact CD2-CD2 4.47Å; L34-F38 HydrophobicContact CD2-CE2 4.11Å; L34-F38 WeakPolarHBondContact O-CD2 3.42Å; L34-F38 PolarHBondContact O-N 3.31Å; E36-F38 PolarHBondContact O-N 3.01Å; F38-A40 HydrophobicContact CB-CB 4.4Å; F38-A40 PolarHBondContact O-N 3.49Å; F38-F83 AromaticContact CE1-CE1 3.95Å; F38-F83 HydrophobicContact CE1-CE1 3.95Å; F38-F83 AromaticContact CE1-CE2 3.89Å; F38-F83 HydrophobicContact CE1-CE2 3.89Å; F38-F83 AromaticContact CE1-CZ 3.57Å; F38-F83 HydrophobicContact CE1-CZ 3.57Å; F38-F83 HydrophobicContact CZ-CD1 4.29Å; F38-F83 AromaticContact CZ-CD2 3.95Å; F38-F83 HydrophobicContact CZ-CD2 3.95Å; F38-F83 HydrophobicContact CZ-CE1 4.07Å; F38-F83 AromaticContact CZ-CE2 3.74Å; F38-F83 HydrophobicContact CZ-CE2 3.74Å; F38-F83 HydrophobicContact CZ-CG 4.24Å; F38-F83 AromaticContact CZ-CZ 3.81Å; F38-F83 HydrophobicContact CZ-CZ 3.81Å; F38-I89 HydrophobicContact CE2-CD1 3.94Å; F38-I89 HydrophobicContact CZ-CD1 4.02Å |
| 39 | N | 92.6 | Very high | 90.6 | Very high | 92 Ų | 92 | 79.4 Ų | 79.4 | 49% | 0.492 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 33.2 | -173.2 | -147.9 | 5.8 | 0 | 0 | 0 | 112.9 | K35 E36 Y37 S41 N42 | K35-N39 CarbonylContact O-C 3.59Å; K35-N39 PolarHBondContact O-N 3.07Å; K35-N39 VanDerWaalsContact O-N 3.09Å; E36-N39 PolarHBondContact O-N 3.46Å; Y37-N39 VanDerWaalsContact C-N 3.27Å; Y37-N39 PolarHBondContact O-N 3.22Å; N39-S41 PolarHBondContact O-N 2.9Å; N39-S41 VanDerWaalsContact O-N 3.15Å; N39-N42 PolarHBondContact ND2-ND2 3.45Å; N39-N42 PolarHBondContact O-N 3.03Å; N39-N42 PolarHBondContact OD1-ND2 3.33Å; N39-N42 PolarHBondContact OD1-OD1 3.21Å |
| 40 | A | 92.4 | Very high | 90.7 | Very high | 38 Ų | 38 | 75.9 Ų | 75.9 | 31% | 0.314 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -1.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | K35 F38 | K35-A40 HydrophobicContact CB-CB 4.22Å; K35-A40 HydrophobicContact CG-CB 4.22Å; K35-A40 PolarHBondContact O-N 3.25Å; F38-A40 HydrophobicContact CB-CB 4.4Å; F38-A40 PolarHBondContact O-N 3.49Å |
| 41 | S | 89.7 | Confident | 90.7 | Very high | 76 Ų | 76 | 81.7 Ų | 81.7 | 53% | 0.531 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -2.3 | 177 | -62.7 | 0 | 0 | 0 | 0 | 112.9 | N39 | N39-S41 PolarHBondContact O-N 2.9Å; N39-S41 VanDerWaalsContact O-N 3.15Å |
| 42 | N | 90.5 | Very high | 90.8 | Very high | 62 Ų | 62 | 81.1 Ų | 81.1 | 33% | 0.332 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -69.5 | 151.8 | 176.2 | -77 | -18.7 | 0 | 0 | 0 | 112.1 | N39 D44 V45 | N39-N42 PolarHBondContact ND2-ND2 3.45Å; N39-N42 PolarHBondContact O-N 3.03Å; N39-N42 PolarHBondContact OD1-ND2 3.33Å; N39-N42 PolarHBondContact OD1-OD1 3.21Å; N42-D44 VanDerWaalsContact C-N 3.27Å; N42-D44 WeakPolarHBondContact CB-OD1 3.36Å; N42-D44 PolarHBondContact O-N 2.97Å; N42-V45 HydrophobicContact CB-CG2 4.35Å; N42-V45 WeakPolarHBondContact O-CB 3.46Å; N42-V45 PolarHBondContact O-N 2.76Å |
| 43 | P | 86.6 | Confident | 90.8 | Very high | 114 Ų | 114 | 81.7 Ų | 81.7 | 74% | 0.74 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -61.1 | -30.8 | 180 | -23.7 | 34.1 | 0 | 0 | 0 | 114.6 | V45 A46 | P43-V45 PolarHBondContact O-N 2.9Å; P43-A46 WeakPolarHBondContact O-CB 3.23Å; P43-A46 PolarHBondContact O-N 3.39Å; P43-A46 VanDerWaalsContact O-N 3.16Å |
| 44 | D | 90 | Very high | 90.7 | Very high | 97 Ų | 97 | 82.2 Ų | 82.2 | 52% | 0.519 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -65.4 | -22.7 | -179.5 | 65.3 | -34.7 | 0 | 0 | 0 | 112.9 | N42 A46 D47 | N42-D44 VanDerWaalsContact C-N 3.27Å; N42-D44 WeakPolarHBondContact CB-OD1 3.36Å; N42-D44 PolarHBondContact O-N 2.97Å; D44-A46 PolarHBondContact O-N 3.36Å; D44-D47 VanDerWaalsContact O-CB 3.25Å; D44-D47 WeakPolarHBondContact O-CB 3.35Å; D44-D47 PolarHBondContact O-N 3.48Å |
| 45 | V | 88.9 | Confident | 90.7 | Very high | 80 Ų | 80 | 85.1 Ų | 85.1 | 49% | 0.485 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -65.9 | -23.4 | 176.2 | -178.8 | 0 | 0 | 0 | 0 | 111.9 | N42 P43 D47 | N42-V45 HydrophobicContact CB-CG2 4.35Å; N42-V45 WeakPolarHBondContact O-CB 3.46Å; N42-V45 PolarHBondContact O-N 2.76Å; P43-V45 PolarHBondContact O-N 2.9Å; V45-D47 VanDerWaalsContact C-N 3.29Å |
| 46 | A | 85.1 | Confident | 90.6 | Very high | 75 Ų | 75 | 84.1 Ų | 84.1 | 62% | 0.62 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -79.5 | -12.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | P43 D44 G49 | P43-A46 WeakPolarHBondContact O-CB 3.23Å; P43-A46 PolarHBondContact O-N 3.39Å; P43-A46 VanDerWaalsContact O-N 3.16Å; D44-A46 PolarHBondContact O-N 3.36Å; A46-G49 PolarHBondContact O-N 3.25Å |
| 47 | D | 88.4 | Confident | 90.5 | Very high | 128 Ų | 128 | 83.7 Ų | 83.7 | 68% | 0.684 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | 135.1 | 180 | -67.2 | -21.7 | 0 | 0 | 0 | 110.6 | D44 V45 G49 | D44-D47 VanDerWaalsContact O-CB 3.25Å; D44-D47 WeakPolarHBondContact O-CB 3.35Å; D44-D47 PolarHBondContact O-N 3.48Å; V45-D47 VanDerWaalsContact C-N 3.29Å; D47-G49 VanDerWaalsContact C-N 3.28Å; D47-G49 PolarHBondContact O-N 3.32Å |
| 48 | G | 85.1 | Confident | 90.4 | Very high | 90 Ų | 90 | 84.8 Ų | 84.8 | 93% | 0.928 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | -1.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 49 | G | 88.6 | Confident | 90.3 | Very high | 39 Ų | 39 | 85.4 Ų | 85.4 | 40% | 0.402 | 50% | 0.503 | S | S | . | . | trans | 79 | 177.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A46 D47 | A46-G49 PolarHBondContact O-N 3.25Å; D47-G49 VanDerWaalsContact C-N 3.28Å; D47-G49 PolarHBondContact O-N 3.32Å | ||
| 50 | P | 91.2 | Very high | 90.1 | Very high | 59 Ų | 59 | 92.5 Ų | 92.5 | 38% | 0.383 | 52% | 0.522 | S | S | . | . | trans | -76.2 | 134.2 | -173.4 | 31.1 | -35 | 0 | 0 | 0 | 112.3 | F52 L53 D54 | P50-F52 PolarHBondContact O-N 3.48Å; P50-L53 HydrophobicContact CB-CB 3.92Å; P50-L53 HydrophobicContact CB-CD1 4.15Å; P50-L53 HydrophobicContact CB-CG 4.2Å; P50-L53 HydrophobicContact CG-CB 4.28Å; P50-D54 WeakPolarHBondContact CD-OD2 3.5Å; P50-D54 HydrophobicContact CG-CB 4.27Å; P50-D54 VanDerWaalsContact CG-CG 3.4Å; P50-D54 WeakPolarHBondContact CG-OD2 3.31Å | ||
| 51 | L | 92.3 | Very high | 90 | Very high | 132 Ų | 132 | 96.5 Ų | 96.5 | 69% | 0.691 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -63.6 | -43.4 | -179.1 | -64.1 | 177.2 | 0 | 0 | 0 | 114 | ||
| 52 | F | 94.4 | Very high | 89.9 | Confident | 38 Ų | 38 | 98.5 Ų | 98.5 | 17% | 0.167 | 54% | 0.536 | C | S | . | . | S | Bend | trans | -119.1 | -28.7 | -170.9 | -53.2 | -57.1 | 0 | 0 | 0 | 114 | P50 D54 I55 L56 I72 F75 Y76 | P50-F52 PolarHBondContact O-N 3.48Å; F52-D54 VanDerWaalsContact C-N 3.35Å; F52-D54 PolarHBondContact O-N 3.3Å; F52-I55 PolarHBondContact O-N 3.39Å; F52-L56 WeakPolarHBondContact O-CG 3.32Å; F52-L56 PolarHBondContact O-N 3.45Å; F52-I72 HydrophobicContact CB-CD1 4.03Å; F52-I72 HydrophobicContact CB-CG1 4.5Å; F52-I72 HydrophobicContact CD1-CD1 4.25Å; F52-I72 HydrophobicContact CD1-CG1 3.84Å; F52-I72 HydrophobicContact CD1-CG2 4.49Å; F52-I72 HydrophobicContact CD2-CG2 4.42Å; F52-I72 HydrophobicContact CE1-CG1 4.37Å; F52-I72 HydrophobicContact CG-CD1 4.31Å; F52-I72 HydrophobicContact CG-CG1 4.24Å; F52-I72 HydrophobicContact CG-CG2 4.32Å; F52-F75 HydrophobicContact CE1-CD1 4.45Å; F52-F75 HydrophobicContact CE2-CD1 4.21Å; F52-F75 HydrophobicContact CE2-CE1 4.22Å; F52-F75 AromaticContact CZ-CD1 3.54Å; F52-F75 HydrophobicContact CZ-CD1 3.54Å; F52-F75 AromaticContact CZ-CE1 3.65Å; F52-F75 HydrophobicContact CZ-CE1 3.65Å; F52-F75 HydrophobicContact CZ-CG 4.04Å; F52-F75 HydrophobicContact CZ-CZ 4.21Å; F52-Y76 HydrophobicContact CD2-CE2 4.23Å; F52-Y76 AromaticContact CE2-CE2 3.95Å; F52-Y76 HydrophobicContact CE2-CE2 3.95Å; F52-Y76 AromaticContact CE2-CZ 3.84Å |
| 53 | L | 91.6 | Very high | 89.7 | Confident | 107 Ų | 107 | 98 Ų | 98 | 56% | 0.56 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.9 | -39.2 | -168.6 | -61 | 177.4 | 0 | 0 | 0 | 112.2 | P50 L56 K57 | P50-L53 HydrophobicContact CB-CB 3.92Å; P50-L53 HydrophobicContact CB-CD1 4.15Å; P50-L53 HydrophobicContact CB-CG 4.2Å; P50-L53 HydrophobicContact CG-CB 4.28Å; L53-L56 PolarHBondContact O-N 3.14Å; L53-K57 VanDerWaalsContact O-CG 3.27Å; L53-K57 WeakPolarHBondContact O-CG 3.45Å; L53-K57 PolarHBondContact O-N 3.14Å; L53-K57 VanDerWaalsContact O-N 3.07Å |
| 54 | D | 91.7 | Very high | 89.8 | Confident | 73 Ų | 73 | 95.3 Ų | 95.3 | 39% | 0.39 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -73.5 | -33.4 | 179.7 | -69.4 | -15.6 | 0 | 0 | 0 | 112 | P50 F52 K57 N58 | P50-D54 WeakPolarHBondContact CD-OD2 3.5Å; P50-D54 HydrophobicContact CG-CB 4.27Å; P50-D54 VanDerWaalsContact CG-CG 3.4Å; P50-D54 WeakPolarHBondContact CG-OD2 3.31Å; F52-D54 VanDerWaalsContact C-N 3.35Å; F52-D54 PolarHBondContact O-N 3.3Å; D54-K57 PolarHBondContact O-N 3.13Å; D54-K57 IonicContact OD1-NZ 2.86Å; D54-K57 PolarHBondContact OD1-NZ 3.42Å; D54-N58 VanDerWaalsContact O-CG 3.3Å; D54-N58 PolarHBondContact O-ND2 2.81Å |
| 55 | I | 92.4 | Very high | 89.9 | Confident | 78 Ų | 78 | 94 Ų | 94 | 40% | 0.4 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.4 | -49 | 171.8 | -55.1 | 176.9 | 0 | 0 | 0 | 109.5 | F52 K57 N58 W59 I68 | F52-I55 PolarHBondContact O-N 3.39Å; I55-K57 VanDerWaalsContact C-N 3.3Å; I55-K57 PolarHBondContact O-N 3.19Å; I55-N58 WeakPolarHBondContact O-CB 3.41Å; I55-N58 PolarHBondContact O-N 2.96Å; I55-N58 VanDerWaalsContact O-N 3.15Å; I55-W59 PolarHBondContact O-NE1 3.46Å; I55-I68 HydrophobicContact CG2-CG2 3.83Å |
| 56 | L | 90.5 | Very high | 90 | Very high | 46 Ų | 46 | 92.9 Ų | 92.9 | 24% | 0.241 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -62.2 | -33.3 | -179 | -76.6 | 172 | 0 | 0 | 0 | 113.3 | F52 L53 N58 I68 Q69 I72 | F52-L56 WeakPolarHBondContact O-CG 3.32Å; F52-L56 PolarHBondContact O-N 3.45Å; L53-L56 PolarHBondContact O-N 3.14Å; L56-N58 VanDerWaalsContact C-N 3.26Å; L56-N58 PolarHBondContact O-N 3.4Å; L56-I68 HydrophobicContact CD2-CG2 4.18Å; L56-Q69 HydrophobicContact CD2-CG 3.91Å; L56-I72 HydrophobicContact CD1-CD1 3.91Å; L56-I72 HydrophobicContact CD2-CD1 3.75Å; L56-I72 HydrophobicContact CG-CD1 3.76Å |
| 57 | K | 91.3 | Very high | 90.3 | Very high | 143 Ų | 143 | 94.2 Ų | 94.2 | 62% | 0.622 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.7 | -27.5 | 176.8 | -75.1 | 168.9 | -166.1 | 161.6 | 0 | 113.2 | L53 D54 I55 W59 | L53-K57 VanDerWaalsContact O-CG 3.27Å; L53-K57 WeakPolarHBondContact O-CG 3.45Å; L53-K57 PolarHBondContact O-N 3.14Å; L53-K57 VanDerWaalsContact O-N 3.07Å; D54-K57 PolarHBondContact O-N 3.13Å; D54-K57 IonicContact OD1-NZ 2.86Å; D54-K57 PolarHBondContact OD1-NZ 3.42Å; I55-K57 VanDerWaalsContact C-N 3.3Å; I55-K57 PolarHBondContact O-N 3.19Å; K57-W59 VanDerWaalsContact C-N 3.32Å; K57-W59 PolarHBondContact O-N 2.85Å |
| 58 | N | 92 | Very high | 90.6 | Very high | 125 Ų | 125 | 90 Ų | 90 | 67% | 0.668 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -74.6 | -23.1 | -175.7 | -66.4 | -23.6 | 0 | 0 | 0 | 112.9 | D54 I55 L56 | D54-N58 VanDerWaalsContact O-CG 3.3Å; D54-N58 PolarHBondContact O-ND2 2.81Å; I55-N58 WeakPolarHBondContact O-CB 3.41Å; I55-N58 PolarHBondContact O-N 2.96Å; I55-N58 VanDerWaalsContact O-N 3.15Å; L56-N58 VanDerWaalsContact C-N 3.26Å; L56-N58 PolarHBondContact O-N 3.4Å |
| 59 | W | 91.8 | Very high | 91 | Very high | 102 Ų | 102 | 88.2 Ų | 88.2 | 39% | 0.386 | 44% | 0.44 | S | S | . | . | trans | -102.4 | 108.5 | -174.6 | -53 | 103.3 | 0 | 0 | 0 | 111.3 | I55 K57 D64 K65 I68 | I55-W59 PolarHBondContact O-NE1 3.46Å; K57-W59 VanDerWaalsContact C-N 3.32Å; K57-W59 PolarHBondContact O-N 2.85Å; W59-D64 HydrophobicContact CB-CB 4.35Å; W59-D64 HydrophobicContact CD2-CB 4.34Å; W59-D64 HydrophobicContact CE3-CB 3.74Å; W59-D64 HydrophobicContact CZ3-CB 4.46Å; W59-K65 HydrophobicContact CB-CB 4.44Å; W59-I68 HydrophobicContact CD2-CG1 4.35Å; W59-I68 HydrophobicContact CG-CG1 4.14Å; W59-I68 HydrophobicContact CZ2-CD1 4.46Å | ||
| 60 | R | 88.1 | Confident | 91.3 | Very high | 240 Ų | 240 | 87.8 Ų | 87.8 | 91% | 0.906 | 43% | 0.43 | S | S | * | . | trans | -93.4 | -30.1 | 179.7 | -63.3 | -175 | -178.2 | -173.6 | 0.7 | 113.3 | ||||
| 61 | E | 90.4 | Very high | 91.5 | Very high | 122 Ų | 122 | 91 Ų | 91 | 57% | 0.57 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -75.7 | 133.2 | 178.6 | -159.4 | 179.6 | 148.1 | 0 | 0 | 109.9 | S63 D64 K65 | E61-S63 VanDerWaalsContact C-N 3.25Å; E61-S63 VanDerWaalsContact CG-OG 3.22Å; E61-S63 WeakPolarHBondContact CG-OG 3.39Å; E61-S63 PolarHBondContact O-N 3.48Å; E61-S63 PolarHBondContact OE1-OG 3.03Å; E61-D64 HydrophobicContact CB-CB 4.35Å; E61-D64 PolarHBondContact O-N 3.4Å; E61-K65 VanDerWaalsContact O-CB 3.27Å; E61-K65 WeakPolarHBondContact O-CB 3.26Å; E61-K65 PolarHBondContact O-N 3.49Å |
| 62 | E | 87 | Confident | 91.7 | Very high | 119 Ų | 119 | 85.9 Ų | 85.9 | 56% | 0.556 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61.4 | -36.3 | -178 | -171.3 | 62.1 | -156.8 | 0 | 0 | 111.7 | K65 T66 | E62-K65 PolarHBondContact O-N 2.69Å; E62-T66 HydrophobicContact CG-CG2 4.32Å; E62-T66 WeakPolarHBondContact O-CB 3.03Å; E62-T66 WeakPolarHBondContact O-CG2 3.42Å; E62-T66 PolarHBondContact O-N 3.48Å; E62-T66 PolarHBondContact O-OG1 3.42Å |
| 63 | S | 85.5 | Confident | 91.7 | Very high | 51 Ų | 51 | 84.6 Ų | 84.6 | 36% | 0.357 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.5 | -55 | 175.2 | 56.5 | 0 | 0 | 0 | 0 | 111.3 | E61 K65 T66 I67 | E61-S63 VanDerWaalsContact C-N 3.25Å; E61-S63 VanDerWaalsContact CG-OG 3.22Å; E61-S63 WeakPolarHBondContact CG-OG 3.39Å; E61-S63 PolarHBondContact O-N 3.48Å; E61-S63 PolarHBondContact OE1-OG 3.03Å; S63-K65 VanDerWaalsContact C-N 3.33Å; S63-K65 PolarHBondContact O-N 3.39Å; S63-T66 PolarHBondContact O-N 3.05Å; S63-T66 PolarHBondContact O-OG1 3.44Å; S63-I67 WeakPolarHBondContact O-CG1 3.46Å; S63-I67 PolarHBondContact O-N 2.96Å |
| 64 | D | 88.6 | Confident | 91.9 | Very high | 58 Ų | 58 | 80.7 Ų | 80.7 | 31% | 0.31 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 177.6 | -67.4 | -20 | 0 | 0 | 0 | 111.8 | W59 E61 T66 I67 I68 | W59-D64 HydrophobicContact CB-CB 4.35Å; W59-D64 HydrophobicContact CD2-CB 4.34Å; W59-D64 HydrophobicContact CE3-CB 3.74Å; W59-D64 HydrophobicContact CZ3-CB 4.46Å; E61-D64 HydrophobicContact CB-CB 4.35Å; E61-D64 PolarHBondContact O-N 3.4Å; D64-T66 VanDerWaalsContact C-N 3.33Å; D64-T66 PolarHBondContact O-N 3.06Å; D64-I67 WeakPolarHBondContact O-CB 3.48Å; D64-I67 PolarHBondContact O-N 3.01Å; D64-I68 PolarHBondContact O-N 3.24Å |
| 65 | K | 92.3 | Very high | 92.2 | Very high | 70 Ų | 70 | 81.8 Ų | 81.8 | 30% | 0.304 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 178.8 | -169.2 | -177.4 | -178.5 | -173.2 | 0 | 111.5 | W59 E61 E62 S63 I67 I68 Q69 | W59-K65 HydrophobicContact CB-CB 4.44Å; E61-K65 VanDerWaalsContact O-CB 3.27Å; E61-K65 WeakPolarHBondContact O-CB 3.26Å; E61-K65 PolarHBondContact O-N 3.49Å; E62-K65 PolarHBondContact O-N 2.69Å; S63-K65 VanDerWaalsContact C-N 3.33Å; S63-K65 PolarHBondContact O-N 3.39Å; K65-I67 VanDerWaalsContact C-N 3.3Å; K65-I67 PolarHBondContact O-N 3.39Å; K65-I68 PolarHBondContact O-N 2.8Å; K65-Q69 HydrophobicContact CG-CG 4.31Å; K65-Q69 WeakPolarHBondContact O-CB 3.47Å; K65-Q69 VanDerWaalsContact O-CG 3.26Å; K65-Q69 WeakPolarHBondContact O-CG 3.36Å; K65-Q69 PolarHBondContact O-N 2.99Å |
| 66 | T | 91.8 | Very high | 92.3 | Very high | 55 Ų | 55 | 81.8 Ų | 81.8 | 34% | 0.337 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.1 | -33.9 | 178.2 | 61.9 | 0 | 0 | 0 | 0 | 112.5 | E62 S63 D64 S70 | E62-T66 HydrophobicContact CG-CG2 4.32Å; E62-T66 WeakPolarHBondContact O-CB 3.03Å; E62-T66 WeakPolarHBondContact O-CG2 3.42Å; E62-T66 PolarHBondContact O-N 3.48Å; E62-T66 PolarHBondContact O-OG1 3.42Å; S63-T66 PolarHBondContact O-N 3.05Å; S63-T66 PolarHBondContact O-OG1 3.44Å; D64-T66 VanDerWaalsContact C-N 3.33Å; D64-T66 PolarHBondContact O-N 3.06Å; T66-S70 VanDerWaalsContact O-CB 3.31Å; T66-S70 WeakPolarHBondContact O-CB 3.46Å; T66-S70 PolarHBondContact O-N 2.84Å |
| 67 | I | 92.2 | Very high | 92.5 | Very high | 103 Ų | 103 | 79.9 Ų | 79.9 | 53% | 0.528 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.6 | -47.3 | 175.3 | -64.7 | 168.1 | 0 | 0 | 0 | 110.2 | S63 D64 K65 S70 Q71 | S63-I67 WeakPolarHBondContact O-CG1 3.46Å; S63-I67 PolarHBondContact O-N 2.96Å; D64-I67 WeakPolarHBondContact O-CB 3.48Å; D64-I67 PolarHBondContact O-N 3.01Å; K65-I67 VanDerWaalsContact C-N 3.3Å; K65-I67 PolarHBondContact O-N 3.39Å; I67-S70 WeakPolarHBondContact O-CB 3.36Å; I67-S70 PolarHBondContact O-N 3.26Å; I67-Q71 PolarHBondContact O-N 2.86Å |
| 68 | I | 94.5 | Very high | 92.7 | Very high | 39 Ų | 39 | 79.9 Ų | 79.9 | 20% | 0.2 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.9 | -43.1 | -179.9 | -60.8 | -62.3 | 0 | 0 | 0 | 111.2 | I55 L56 W59 D64 K65 S70 Q71 I72 | I55-I68 HydrophobicContact CG2-CG2 3.83Å; L56-I68 HydrophobicContact CD2-CG2 4.18Å; W59-I68 HydrophobicContact CD2-CG1 4.35Å; W59-I68 HydrophobicContact CG-CG1 4.14Å; W59-I68 HydrophobicContact CZ2-CD1 4.46Å; D64-I68 PolarHBondContact O-N 3.24Å; K65-I68 PolarHBondContact O-N 2.8Å; I68-S70 VanDerWaalsContact C-N 3.28Å; I68-S70 PolarHBondContact O-N 3.05Å; I68-Q71 PolarHBondContact O-N 3.49Å; I68-Q71 VanDerWaalsContact O-N 3.13Å; I68-I72 HydrophobicContact CG2-CD1 3.98Å; I68-I72 WeakPolarHBondContact O-CG1 3.47Å; I68-I72 PolarHBondContact O-N 3.31Å |
| 69 | Q | 94 | Very high | 92.8 | Very high | 54 Ų | 54 | 76.6 Ų | 76.6 | 25% | 0.252 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.1 | -37.9 | 175.2 | -74.6 | 175.9 | -26.1 | 0 | 0 | 112 | L56 K65 Q71 I72 V73 F104 | L56-Q69 HydrophobicContact CD2-CG 3.91Å; K65-Q69 HydrophobicContact CG-CG 4.31Å; K65-Q69 WeakPolarHBondContact O-CB 3.47Å; K65-Q69 VanDerWaalsContact O-CG 3.26Å; K65-Q69 WeakPolarHBondContact O-CG 3.36Å; K65-Q69 PolarHBondContact O-N 2.99Å; Q69-Q71 VanDerWaalsContact C-N 3.27Å; Q69-Q71 PolarHBondContact O-N 3.04Å; Q69-I72 PolarHBondContact O-N 3.47Å; Q69-I72 VanDerWaalsContact O-N 3.16Å; Q69-V73 VanDerWaalsContact O-CG2 3.31Å; Q69-V73 WeakPolarHBondContact O-CG2 3.43Å; Q69-V73 PolarHBondContact O-N 3.12Å; Q69-F104 HydrophobicContact CB-CD2 4.32Å; Q69-F104 HydrophobicContact CB-CE2 3.8Å |
| 70 | S | 94.8 | Very high | 92.9 | Very high | 30 Ų | 30 | 72.8 Ų | 72.8 | 21% | 0.21 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -56 | -41 | 174.4 | -174.3 | 0 | 0 | 0 | 0 | 112.3 | T66 I67 I68 S74 F115 | T66-S70 VanDerWaalsContact O-CB 3.31Å; T66-S70 WeakPolarHBondContact O-CB 3.46Å; T66-S70 PolarHBondContact O-N 2.84Å; I67-S70 WeakPolarHBondContact O-CB 3.36Å; I67-S70 PolarHBondContact O-N 3.26Å; I68-S70 VanDerWaalsContact C-N 3.28Å; I68-S70 PolarHBondContact O-N 3.05Å; S70-S74 WeakPolarHBondContact O-CB 3.34Å; S70-S74 PolarHBondContact O-N 3.16Å; S70-S74 PolarHBondContact O-OG 3.47Å; S70-F115 WeakPolarHBondContact OG-CE2 3.39Å |
| 71 | Q | 95.1 | Very high | 93.1 | Very high | 127 Ų | 127 | 65.6 Ų | 65.6 | 59% | 0.593 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -70.7 | -40.7 | 176.3 | -62.1 | -55.7 | -43 | 0 | 0 | 112.3 | I67 I68 Q69 S74 F75 | I67-Q71 PolarHBondContact O-N 2.86Å; I68-Q71 PolarHBondContact O-N 3.49Å; I68-Q71 VanDerWaalsContact O-N 3.13Å; Q69-Q71 VanDerWaalsContact C-N 3.27Å; Q69-Q71 PolarHBondContact O-N 3.04Å; Q71-S74 WeakPolarHBondContact O-CB 3.32Å; Q71-S74 PolarHBondContact O-N 2.99Å; Q71-F75 PolarHBondContact O-N 3.28Å |
| 72 | I | 95.4 | Very high | 93.3 | Very high | 24 Ų | 24 | 65.4 Ų | 65.4 | 12% | 0.123 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64 | -43.8 | 177.2 | -65.4 | 166.8 | 0 | 0 | 0 | 110.9 | F52 L56 I68 Q69 S74 F75 Y76 | F52-I72 HydrophobicContact CB-CD1 4.03Å; F52-I72 HydrophobicContact CB-CG1 4.5Å; F52-I72 HydrophobicContact CD1-CD1 4.25Å; F52-I72 HydrophobicContact CD1-CG1 3.84Å; F52-I72 HydrophobicContact CD1-CG2 4.49Å; F52-I72 HydrophobicContact CD2-CG2 4.42Å; F52-I72 HydrophobicContact CE1-CG1 4.37Å; F52-I72 HydrophobicContact CG-CD1 4.31Å; F52-I72 HydrophobicContact CG-CG1 4.24Å; F52-I72 HydrophobicContact CG-CG2 4.32Å; L56-I72 HydrophobicContact CD1-CD1 3.91Å; L56-I72 HydrophobicContact CD2-CD1 3.75Å; L56-I72 HydrophobicContact CG-CD1 3.76Å; I68-I72 HydrophobicContact CG2-CD1 3.98Å; I68-I72 WeakPolarHBondContact O-CG1 3.47Å; I68-I72 PolarHBondContact O-N 3.31Å; Q69-I72 PolarHBondContact O-N 3.47Å; Q69-I72 VanDerWaalsContact O-N 3.16Å; I72-S74 VanDerWaalsContact C-N 3.35Å; I72-S74 PolarHBondContact O-N 3.37Å; I72-F75 WeakPolarHBondContact O-CB 3.4Å; I72-F75 PolarHBondContact O-N 2.94Å; I72-Y76 HydrophobicContact CG2-CD2 3.8Å; I72-Y76 HydrophobicContact CG2-CE2 3.64Å; I72-Y76 VanDerWaalsContact O-CD2 3.32Å; I72-Y76 WeakPolarHBondContact O-CD2 3.16Å; I72-Y76 PolarHBondContact O-N 3.27Å |
| 73 | V | 95.7 | Very high | 93.5 | Very high | 10 Ų | 10 | 62.8 Ų | 62.8 | 6% | 0.061 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 175 | 171.8 | 0 | 0 | 0 | 0 | 110 | Q69 F75 Y76 L77 M100 L101 F104 F115 | Q69-V73 VanDerWaalsContact O-CG2 3.31Å; Q69-V73 WeakPolarHBondContact O-CG2 3.43Å; Q69-V73 PolarHBondContact O-N 3.12Å; V73-F75 VanDerWaalsContact C-N 3.27Å; V73-F75 PolarHBondContact O-N 3.45Å; V73-Y76 PolarHBondContact O-N 3.04Å; V73-L77 HydrophobicContact CG1-CD1 4.31Å; V73-L77 HydrophobicContact CG1-CG 4.43Å; V73-L77 WeakPolarHBondContact O-CG 3.48Å; V73-L77 PolarHBondContact O-N 3.14Å; V73-M100 HydrophobicContact CB-SD 4.31Å; V73-M100 HydrophobicContact CG1-CG 4.43Å; V73-M100 HydrophobicContact CG1-SD 4.08Å; V73-M100 HydrophobicContact CG2-CG 4.13Å; V73-M100 HydrophobicContact CG2-SD 4.05Å; V73-L101 HydrophobicContact CG1-CD2 4.41Å; V73-F104 HydrophobicContact CG2-CB 4.35Å; V73-F104 HydrophobicContact CG2-CD1 4.42Å; V73-F104 HydrophobicContact CG2-CD2 4.1Å; V73-F104 HydrophobicContact CG2-CG 4.03Å; V73-F115 HydrophobicContact CB-CZ 4.34Å; V73-F115 HydrophobicContact CG1-CE1 3.97Å; V73-F115 HydrophobicContact CG1-CZ 3.93Å |
| 74 | S | 95.6 | Very high | 93.7 | Very high | 25 Ų | 25 | 66.6 Ų | 66.6 | 18% | 0.175 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.9 | -40 | 176.3 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | S70 Q71 I72 L77 K78 F115 | S70-S74 WeakPolarHBondContact O-CB 3.34Å; S70-S74 PolarHBondContact O-N 3.16Å; S70-S74 PolarHBondContact O-OG 3.47Å; Q71-S74 WeakPolarHBondContact O-CB 3.32Å; Q71-S74 PolarHBondContact O-N 2.99Å; I72-S74 VanDerWaalsContact C-N 3.35Å; I72-S74 PolarHBondContact O-N 3.37Å; S74-L77 PolarHBondContact O-N 2.89Å; S74-K78 PolarHBondContact O-N 3.29Å; S74-F115 WeakPolarHBondContact OG-CZ 3.4Å |
| 75 | F | 96.5 | Very high | 93.9 | Very high | 97 Ų | 97 | 70.2 Ų | 70.2 | 43% | 0.425 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.6 | -50.2 | 176.2 | 176.6 | -86.1 | 0 | 0 | 0 | 111.9 | F52 Q71 I72 V73 L77 K78 L79 | F52-F75 HydrophobicContact CE1-CD1 4.45Å; F52-F75 HydrophobicContact CE2-CD1 4.21Å; F52-F75 HydrophobicContact CE2-CE1 4.22Å; F52-F75 AromaticContact CZ-CD1 3.54Å; F52-F75 HydrophobicContact CZ-CD1 3.54Å; F52-F75 AromaticContact CZ-CE1 3.65Å; F52-F75 HydrophobicContact CZ-CE1 3.65Å; F52-F75 HydrophobicContact CZ-CG 4.04Å; F52-F75 HydrophobicContact CZ-CZ 4.21Å; Q71-F75 PolarHBondContact O-N 3.28Å; I72-F75 WeakPolarHBondContact O-CB 3.4Å; I72-F75 PolarHBondContact O-N 2.94Å; V73-F75 VanDerWaalsContact C-N 3.27Å; V73-F75 PolarHBondContact O-N 3.45Å; F75-L77 VanDerWaalsContact C-N 3.34Å; F75-L77 PolarHBondContact O-N 3.5Å; F75-K78 PolarHBondContact O-N 2.93Å; F75-L79 HydrophobicContact CE1-CD2 4.42Å; F75-L79 WeakPolarHBondContact O-CB 3.16Å; F75-L79 PolarHBondContact O-N 3.41Å |
| 76 | Y | 95.9 | Very high | 93.8 | Very high | 77 Ų | 77 | 68.2 Ų | 68.2 | 30% | 0.302 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.3 | -37.9 | 179.3 | -80.8 | -68.7 | 0 | 0 | 0 | 112.5 | F52 I72 V73 K78 L79 F80 M100 | F52-Y76 HydrophobicContact CD2-CE2 4.23Å; F52-Y76 AromaticContact CE2-CE2 3.95Å; F52-Y76 HydrophobicContact CE2-CE2 3.95Å; F52-Y76 AromaticContact CE2-CZ 3.84Å; I72-Y76 HydrophobicContact CG2-CD2 3.8Å; I72-Y76 HydrophobicContact CG2-CE2 3.64Å; I72-Y76 VanDerWaalsContact O-CD2 3.32Å; I72-Y76 WeakPolarHBondContact O-CD2 3.16Å; I72-Y76 PolarHBondContact O-N 3.27Å; V73-Y76 PolarHBondContact O-N 3.04Å; Y76-K78 VanDerWaalsContact C-N 3.33Å; Y76-K78 PolarHBondContact O-N 3.37Å; Y76-L79 HydrophobicContact CD1-CD2 4.17Å; Y76-L79 HydrophobicContact CE1-CD2 4.47Å; Y76-L79 WeakPolarHBondContact O-CB 3.12Å; Y76-L79 PolarHBondContact O-N 3.22Å; Y76-F80 HydrophobicContact CD1-CZ 4.33Å; Y76-F80 WeakPolarHBondContact O-CD2 3.49Å; Y76-F80 VanDerWaalsContact O-CG 3.23Å; Y76-F80 WeakPolarHBondContact O-CG 3.38Å; Y76-F80 PolarHBondContact O-N 3.42Å; Y76-M100 HydrophobicContact CD2-CE 3.83Å; Y76-M100 HydrophobicContact CG-CE 3.93Å |
| 77 | L | 94.9 | Very high | 93.8 | Very high | 6 Ų | 6 | 73.5 Ų | 73.5 | 3% | 0.031 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60 | -45.1 | 174 | -68.5 | -178.4 | 0 | 0 | 0 | 111.6 | V73 S74 F75 L79 F80 E81 K97 L101 F115 L116 I119 | V73-L77 HydrophobicContact CG1-CD1 4.31Å; V73-L77 HydrophobicContact CG1-CG 4.43Å; V73-L77 WeakPolarHBondContact O-CG 3.48Å; V73-L77 PolarHBondContact O-N 3.14Å; S74-L77 PolarHBondContact O-N 2.89Å; F75-L77 VanDerWaalsContact C-N 3.34Å; F75-L77 PolarHBondContact O-N 3.5Å; L77-L79 VanDerWaalsContact C-N 3.35Å; L77-F80 PolarHBondContact O-N 3.5Å; L77-E81 WeakPolarHBondContact O-CG 3.15Å; L77-E81 PolarHBondContact O-N 3.33Å; L77-K97 HydrophobicContact CD2-CD 4.02Å; L77-K97 HydrophobicContact CD2-CG 3.7Å; L77-L101 HydrophobicContact CD1-CD2 4.27Å; L77-F115 HydrophobicContact CD1-CE1 3.7Å; L77-L116 HydrophobicContact CD1-CD2 4Å; L77-I119 HydrophobicContact CB-CD1 4.49Å; L77-I119 HydrophobicContact CD1-CD1 3.62Å |
| 78 | K | 94.7 | Very high | 93.7 | Very high | 144 Ų | 144 | 74.9 Ų | 74.9 | 63% | 0.626 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -65.2 | -38.7 | 176.4 | -171.4 | 176.7 | -177.3 | 179.2 | 0 | 112 | S74 F75 Y76 E81 N82 | S74-K78 PolarHBondContact O-N 3.29Å; F75-K78 PolarHBondContact O-N 2.93Å; Y76-K78 VanDerWaalsContact C-N 3.33Å; Y76-K78 PolarHBondContact O-N 3.37Å; K78-E81 PolarHBondContact O-N 2.91Å; K78-N82 PolarHBondContact O-N 2.68Å |
| 79 | L | 94.5 | Very high | 93.6 | Very high | 55 Ų | 55 | 73.2 Ų | 73.2 | 29% | 0.288 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.8 | -49.7 | 174.7 | -178.8 | 66.5 | 0 | 0 | 0 | 110.6 | F75 Y76 L77 E81 N82 F83 | F75-L79 HydrophobicContact CE1-CD2 4.42Å; F75-L79 WeakPolarHBondContact O-CB 3.16Å; F75-L79 PolarHBondContact O-N 3.41Å; Y76-L79 HydrophobicContact CD1-CD2 4.17Å; Y76-L79 HydrophobicContact CE1-CD2 4.47Å; Y76-L79 WeakPolarHBondContact O-CB 3.12Å; Y76-L79 PolarHBondContact O-N 3.22Å; L77-L79 VanDerWaalsContact C-N 3.35Å; L79-E81 VanDerWaalsContact C-N 3.33Å; L79-E81 PolarHBondContact O-N 3.06Å; L79-N82 WeakPolarHBondContact O-CB 3.32Å; L79-N82 PolarHBondContact O-N 3.14Å; L79-N82 VanDerWaalsContact O-N 3.17Å; L79-F83 HydrophobicContact CD1-CE2 3.9Å; L79-F83 HydrophobicContact CG-CE2 4.48Å; L79-F83 VanDerWaalsContact O-CD2 3.26Å; L79-F83 WeakPolarHBondContact O-CD2 3.29Å |
| 80 | F | 94.2 | Very high | 93.5 | Very high | 23 Ų | 23 | 74.6 Ų | 74.6 | 10% | 0.101 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.7 | -33.6 | 179.4 | -61.5 | -22.8 | 0 | 0 | 0 | 112.8 | L34 Y76 L77 N82 F83 K84 M93 I96 K97 | L34-F80 HydrophobicContact CD1-CE1 4.45Å; Y76-F80 HydrophobicContact CD1-CZ 4.33Å; Y76-F80 WeakPolarHBondContact O-CD2 3.49Å; Y76-F80 VanDerWaalsContact O-CG 3.23Å; Y76-F80 WeakPolarHBondContact O-CG 3.38Å; Y76-F80 PolarHBondContact O-N 3.42Å; L77-F80 PolarHBondContact O-N 3.5Å; F80-N82 PolarHBondContact O-N 2.95Å; F80-F83 CarbonylContact O-C 3.57Å; F80-F83 PolarHBondContact O-N 3.43Å; F80-F83 VanDerWaalsContact O-N 3.08Å; F80-K84 PolarHBondContact O-N 2.7Å; F80-M93 HydrophobicContact CB-SD 4.13Å; F80-M93 HydrophobicContact CD1-CB 4.34Å; F80-M93 HydrophobicContact CD1-CG 3.84Å; F80-M93 HydrophobicContact CD1-SD 3.81Å; F80-M93 HydrophobicContact CE1-CG 4.17Å; F80-M93 HydrophobicContact CG-CB 4.27Å; F80-M93 HydrophobicContact CG-CG 4.24Å; F80-M93 HydrophobicContact CG-SD 4.21Å; F80-I96 HydrophobicContact CE2-CG2 4.14Å; F80-I96 HydrophobicContact CZ-CG2 4.02Å; F80-K97 HydrophobicContact CD2-CB 4.11Å; F80-K97 HydrophobicContact CE2-CB 4.3Å |
| 81 | E | 91.9 | Very high | 93.4 | Very high | 89 Ų | 89 | 80.9 Ų | 80.9 | 42% | 0.416 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.2 | -32.4 | 173.9 | -79.6 | -177.7 | 174.7 | 0 | 0 | 112.9 | L77 K78 L79 F83 K84 | L77-E81 WeakPolarHBondContact O-CG 3.15Å; L77-E81 PolarHBondContact O-N 3.33Å; K78-E81 PolarHBondContact O-N 2.91Å; L79-E81 VanDerWaalsContact C-N 3.33Å; L79-E81 PolarHBondContact O-N 3.06Å; E81-F83 PolarHBondContact O-N 2.7Å; E81-K84 WeakPolarHBondContact O-CG 3.47Å; E81-K84 PolarHBondContact O-N 3.27Å |
| 82 | N | 93.6 | Very high | 93.2 | Very high | 117 Ų | 117 | 75.2 Ų | 75.2 | 63% | 0.626 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -69.6 | -21.1 | 176.7 | -65.5 | -22.8 | 0 | 0 | 0 | 113.3 | K78 L79 F80 | K78-N82 PolarHBondContact O-N 2.68Å; L79-N82 WeakPolarHBondContact O-CB 3.32Å; L79-N82 PolarHBondContact O-N 3.14Å; L79-N82 VanDerWaalsContact O-N 3.17Å; F80-N82 PolarHBondContact O-N 2.95Å |
| 83 | F | 92.8 | Very high | 93.1 | Very high | 65 Ų | 65 | 74.4 Ų | 74.4 | 29% | 0.285 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 12.5 | -178.8 | -64.1 | -78.6 | 0 | 0 | 0 | 113 | F38 L79 F80 E81 D85 N86 I89 M93 | F38-F83 AromaticContact CE1-CE1 3.95Å; F38-F83 HydrophobicContact CE1-CE1 3.95Å; F38-F83 AromaticContact CE1-CE2 3.89Å; F38-F83 HydrophobicContact CE1-CE2 3.89Å; F38-F83 AromaticContact CE1-CZ 3.57Å; F38-F83 HydrophobicContact CE1-CZ 3.57Å; F38-F83 HydrophobicContact CZ-CD1 4.29Å; F38-F83 AromaticContact CZ-CD2 3.95Å; F38-F83 HydrophobicContact CZ-CD2 3.95Å; F38-F83 HydrophobicContact CZ-CE1 4.07Å; F38-F83 AromaticContact CZ-CE2 3.74Å; F38-F83 HydrophobicContact CZ-CE2 3.74Å; F38-F83 HydrophobicContact CZ-CG 4.24Å; F38-F83 AromaticContact CZ-CZ 3.81Å; F38-F83 HydrophobicContact CZ-CZ 3.81Å; L79-F83 HydrophobicContact CD1-CE2 3.9Å; L79-F83 HydrophobicContact CG-CE2 4.48Å; L79-F83 VanDerWaalsContact O-CD2 3.26Å; L79-F83 WeakPolarHBondContact O-CD2 3.29Å; F80-F83 CarbonylContact O-C 3.57Å; F80-F83 PolarHBondContact O-N 3.43Å; F80-F83 VanDerWaalsContact O-N 3.08Å; E81-F83 PolarHBondContact O-N 2.7Å; F83-D85 PolarHBondContact O-N 3.08Å; F83-N86 VanDerWaalsContact O-CB 3.26Å; F83-N86 WeakPolarHBondContact O-CB 3.26Å; F83-N86 PolarHBondContact O-N 2.86Å; F83-I89 HydrophobicContact CB-CD1 4.06Å; F83-I89 HydrophobicContact CG-CD1 4.35Å; F83-M93 HydrophobicContact CB-CE 3.87Å; F83-M93 HydrophobicContact CB-SD 3.77Å; F83-M93 WeakPolarHBondContact O-CE 3.44Å |
| 84 | K | 89.6 | Confident | 92.9 | Very high | 130 Ų | 130 | 77.9 Ų | 77.9 | 57% | 0.565 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -28 | -176.1 | 70 | -177 | -176.8 | 178.5 | 0 | 114.6 | F80 E81 N86 | F80-K84 PolarHBondContact O-N 2.7Å; E81-K84 WeakPolarHBondContact O-CG 3.47Å; E81-K84 PolarHBondContact O-N 3.27Å; K84-N86 VanDerWaalsContact C-N 3.33Å |
| 85 | D | 91.5 | Very high | 92.7 | Very high | 134 Ų | 134 | 78.8 Ų | 78.8 | 72% | 0.717 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -3.4 | -177.5 | -56.6 | -46.8 | 0 | 0 | 0 | 112.3 | F83 Q87 | F83-D85 PolarHBondContact O-N 3.08Å; D85-Q87 PolarHBondContact O-N 2.91Å |
| 86 | N | 91.6 | Very high | 92.5 | Very high | 29 Ų | 29 | 74.6 Ų | 74.6 | 16% | 0.155 | 35% | 0.354 | C | S | . | . | trans | -88.2 | 97.9 | -179.6 | -171.9 | -19.3 | 0 | 0 | 0 | 111.8 | Y37 F83 K84 I88 I89 Q90 | Y37-N86 PolarHBondContact OH-ND2 3.17Å; F83-N86 VanDerWaalsContact O-CB 3.26Å; F83-N86 WeakPolarHBondContact O-CB 3.26Å; F83-N86 PolarHBondContact O-N 2.86Å; K84-N86 VanDerWaalsContact C-N 3.33Å; N86-I88 PolarHBondContact O-N 3.43Å; N86-I88 WeakPolarHBondContact OD1-CB 3.46Å; N86-I88 PolarHBondContact OD1-N 2.91Å; N86-I88 VanDerWaalsContact OD1-N 3.14Å; N86-I89 HydrophobicContact CB-CD1 4.45Å; N86-I89 HydrophobicContact CB-CG1 3.97Å; N86-I89 PolarHBondContact O-N 3.25Å; N86-Q90 WeakPolarHBondContact O-CB 3.31Å; N86-Q90 PolarHBondContact O-N 3.07Å | ||
| 87 | Q | 91.1 | Very high | 92.4 | Very high | 166 Ų | 166 | 73.6 Ų | 73.6 | 78% | 0.776 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62 | -24.8 | -177.1 | -64.1 | -179.1 | -2.3 | 0 | 0 | 114.2 | D85 | D85-Q87 PolarHBondContact O-N 2.91Å |
| 88 | I | 90.8 | Very high | 92.2 | Very high | 132 Ų | 132 | 77.2 Ų | 77.2 | 68% | 0.677 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -66.7 | -45.5 | -176.4 | -59.7 | 173 | 0 | 0 | 0 | 110.2 | Y37 N86 | Y37-I88 HydrophobicContact CD2-CG2 4.18Å; Y37-I88 HydrophobicContact CE2-CB 4.49Å; Y37-I88 HydrophobicContact CE2-CD1 4.4Å; Y37-I88 HydrophobicContact CE2-CG2 4.33Å; N86-I88 PolarHBondContact O-N 3.43Å; N86-I88 WeakPolarHBondContact OD1-CB 3.46Å; N86-I88 PolarHBondContact OD1-N 2.91Å; N86-I88 VanDerWaalsContact OD1-N 3.14Å |
| 89 | I | 92.3 | Very high | 92 | Very high | 4 Ų | 4 | 71.9 Ų | 71.9 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -104.7 | -2.2 | -175.1 | 54.4 | 163.6 | 0 | 0 | 0 | 113.6 | L34 Y37 F38 F83 N86 R91 S92 M93 | L34-I89 HydrophobicContact CD2-CB 3.71Å; L34-I89 HydrophobicContact CD2-CD1 4.16Å; L34-I89 HydrophobicContact CD2-CG2 3.86Å; Y37-I89 HydrophobicContact CD1-CD1 3.9Å; Y37-I89 HydrophobicContact CD1-CG2 3.68Å; Y37-I89 HydrophobicContact CD2-CG2 3.63Å; Y37-I89 HydrophobicContact CE1-CD1 3.83Å; Y37-I89 HydrophobicContact CE1-CG1 4.44Å; Y37-I89 HydrophobicContact CE1-CG2 4.28Å; Y37-I89 HydrophobicContact CE2-CG2 4.25Å; Y37-I89 HydrophobicContact CG-CG2 3.34Å; F38-I89 HydrophobicContact CE2-CD1 3.94Å; F38-I89 HydrophobicContact CZ-CD1 4.02Å; F83-I89 HydrophobicContact CB-CD1 4.06Å; F83-I89 HydrophobicContact CG-CD1 4.35Å; N86-I89 HydrophobicContact CB-CD1 4.45Å; N86-I89 HydrophobicContact CB-CG1 3.97Å; N86-I89 PolarHBondContact O-N 3.25Å; I89-R91 VanDerWaalsContact C-N 3.32Å; I89-R91 PolarHBondContact O-N 3.07Å; I89-S92 PolarHBondContact O-N 3.47Å; I89-M93 HydrophobicContact CB-CE 4.4Å; I89-M93 HydrophobicContact CD1-CE 3.82Å; I89-M93 HydrophobicContact CD1-CG 4.44Å; I89-M93 HydrophobicContact CD1-SD 3.78Å; I89-M93 HydrophobicContact CG1-CE 3.69Å; I89-M93 HydrophobicContact CG1-SD 4.25Å; I89-M93 WeakPolarHBondContact O-CG 3.45Å; I89-M93 PolarHBondContact O-N 3.37Å |
| 90 | Q | 92.3 | Very high | 91.9 | Very high | 82 Ų | 82 | 71.2 Ų | 71.2 | 38% | 0.383 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -55 | -47.3 | -176.5 | -175.3 | 172.5 | 18.6 | 0 | 0 | 112.1 | N86 S92 M93 D94 | N86-Q90 WeakPolarHBondContact O-CB 3.31Å; N86-Q90 PolarHBondContact O-N 3.07Å; Q90-S92 VanDerWaalsContact C-N 3.35Å; Q90-S92 PolarHBondContact O-N 3.13Å; Q90-M93 PolarHBondContact O-N 3.37Å; Q90-D94 WeakPolarHBondContact O-CB 3.49Å; Q90-D94 PolarHBondContact O-N 3.41Å |
| 91 | R | 91.1 | Very high | 91.8 | Very high | 162 Ų | 162 | 70.1 Ų | 70.1 | 61% | 0.611 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -58.9 | -46 | 179 | 178.7 | -177 | 173.3 | 157.1 | 5.8 | 112.2 | E30 I89 D94 T95 | E30-R91 IonicContact OE1-NE 3.46Å; I89-R91 VanDerWaalsContact C-N 3.32Å; I89-R91 PolarHBondContact O-N 3.07Å; R91-D94 PolarHBondContact O-N 3.38Å; R91-T95 WeakPolarHBondContact O-CB 3.4Å; R91-T95 PolarHBondContact O-N 3.4Å; R91-T95 PolarHBondContact O-OG1 2.99Å |
| 92 | S | 91.4 | Very high | 91.8 | Very high | 8 Ų | 8 | 68 Ų | 68 | 6% | 0.056 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66 | -45.3 | -179.3 | -48.6 | 0 | 0 | 0 | 0 | 111 | E30 I89 Q90 T95 I96 | E30-S92 WeakPolarHBondContact OE2-CA 3.33Å; E30-S92 WeakPolarHBondContact OE2-CB 3.32Å; E30-S92 PolarHBondContact OE2-OG 3.38Å; I89-S92 PolarHBondContact O-N 3.47Å; Q90-S92 VanDerWaalsContact C-N 3.35Å; Q90-S92 PolarHBondContact O-N 3.13Å; S92-T95 PolarHBondContact O-N 3.36Å; S92-I96 WeakPolarHBondContact O-CB 3.14Å; S92-I96 WeakPolarHBondContact O-CD1 3.27Å; S92-I96 VanDerWaalsContact O-CG1 3.31Å; S92-I96 WeakPolarHBondContact O-CG1 3.45Å; S92-I96 PolarHBondContact O-N 3.16Å |
| 93 | M | 93.5 | Very high | 91.6 | Very high | 7 Ų | 7 | 69.5 Ų | 69.5 | 3% | 0.034 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.3 | -45.3 | 175.5 | -70.9 | -172.2 | -62.3 | 0 | 0 | 112.3 | L34 F80 F83 I89 Q90 T95 I96 K97 | L34-M93 HydrophobicContact CD1-CG 4.33Å; L34-M93 HydrophobicContact CD2-CG 3.94Å; F80-M93 HydrophobicContact CB-SD 4.13Å; F80-M93 HydrophobicContact CD1-CB 4.34Å; F80-M93 HydrophobicContact CD1-CG 3.84Å; F80-M93 HydrophobicContact CD1-SD 3.81Å; F80-M93 HydrophobicContact CE1-CG 4.17Å; F80-M93 HydrophobicContact CG-CB 4.27Å; F80-M93 HydrophobicContact CG-CG 4.24Å; F80-M93 HydrophobicContact CG-SD 4.21Å; F83-M93 HydrophobicContact CB-CE 3.87Å; F83-M93 HydrophobicContact CB-SD 3.77Å; F83-M93 WeakPolarHBondContact O-CE 3.44Å; I89-M93 HydrophobicContact CB-CE 4.4Å; I89-M93 HydrophobicContact CD1-CE 3.82Å; I89-M93 HydrophobicContact CD1-CG 4.44Å; I89-M93 HydrophobicContact CD1-SD 3.78Å; I89-M93 HydrophobicContact CG1-CE 3.69Å; I89-M93 HydrophobicContact CG1-SD 4.25Å; I89-M93 WeakPolarHBondContact O-CG 3.45Å; I89-M93 PolarHBondContact O-N 3.37Å; Q90-M93 PolarHBondContact O-N 3.37Å; M93-T95 VanDerWaalsContact C-N 3.34Å; M93-T95 PolarHBondContact O-N 3.39Å; M93-I96 PolarHBondContact O-N 3Å; M93-K97 WeakPolarHBondContact O-CB 3.4Å; M93-K97 PolarHBondContact O-N 2.85Å |
| 94 | D | 91.6 | Very high | 91.6 | Very high | 83 Ų | 83 | 69.1 Ų | 69.1 | 44% | 0.444 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.8 | -40.1 | -179.5 | -77.1 | -26.5 | 0 | 0 | 0 | 111.5 | Q90 R91 E98 | Q90-D94 WeakPolarHBondContact O-CB 3.49Å; Q90-D94 PolarHBondContact O-N 3.41Å; R91-D94 PolarHBondContact O-N 3.38Å; D94-E98 WeakPolarHBondContact O-CB 3.08Å; D94-E98 PolarHBondContact O-N 2.94Å |
| 95 | T | 91.3 | Very high | 91.7 | Very high | 44 Ų | 44 | 63.7 Ų | 63.7 | 27% | 0.27 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.2 | -47.1 | 177.9 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | E30 R91 S92 M93 E98 D99 | E30-T95 HydrophobicContact CG-CG2 4.09Å; R91-T95 WeakPolarHBondContact O-CB 3.4Å; R91-T95 PolarHBondContact O-N 3.4Å; R91-T95 PolarHBondContact O-OG1 2.99Å; S92-T95 PolarHBondContact O-N 3.36Å; M93-T95 VanDerWaalsContact C-N 3.34Å; M93-T95 PolarHBondContact O-N 3.39Å; T95-E98 PolarHBondContact O-N 3.46Å; T95-D99 WeakPolarHBondContact O-CB 3.42Å; T95-D99 PolarHBondContact O-N 3.33Å |
| 96 | I | 93.1 | Very high | 91.5 | Very high | 10 Ų | 10 | 64 Ų | 64 | 5% | 0.051 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 178.5 | -71.1 | 163.8 | 0 | 0 | 0 | 111.1 | F27 E30 I31 L34 F80 S92 M93 M100 | F27-I96 HydrophobicContact CD2-CG1 4.17Å; F27-I96 HydrophobicContact CE2-CB 4.32Å; F27-I96 HydrophobicContact CE2-CG1 4.01Å; F27-I96 HydrophobicContact CE2-CG2 4.16Å; E30-I96 HydrophobicContact CB-CD1 4.08Å; E30-I96 HydrophobicContact CB-CG1 4.22Å; I31-I96 HydrophobicContact CB-CD1 4.45Å; I31-I96 HydrophobicContact CG1-CD1 3.64Å; I31-I96 HydrophobicContact CG1-CG1 4.11Å; L34-I96 HydrophobicContact CD1-CD1 3.35Å; L34-I96 HydrophobicContact CG-CD1 4.25Å; F80-I96 HydrophobicContact CE2-CG2 4.14Å; F80-I96 HydrophobicContact CZ-CG2 4.02Å; S92-I96 WeakPolarHBondContact O-CB 3.14Å; S92-I96 WeakPolarHBondContact O-CD1 3.27Å; S92-I96 VanDerWaalsContact O-CG1 3.31Å; S92-I96 WeakPolarHBondContact O-CG1 3.45Å; S92-I96 PolarHBondContact O-N 3.16Å; M93-I96 PolarHBondContact O-N 3Å; I96-M100 WeakPolarHBondContact O-CB 3.37Å; I96-M100 PolarHBondContact O-N 2.91Å |
| 97 | K | 92.9 | Very high | 91.1 | Very high | 56 Ų | 56 | 68.4 Ų | 68.4 | 24% | 0.243 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60 | -46.8 | 176 | 173.6 | 176 | 168.7 | -173.7 | 0 | 111.3 | L77 F80 M93 L101 | L77-K97 HydrophobicContact CD2-CD 4.02Å; L77-K97 HydrophobicContact CD2-CG 3.7Å; F80-K97 HydrophobicContact CD2-CB 4.11Å; F80-K97 HydrophobicContact CE2-CB 4.3Å; M93-K97 WeakPolarHBondContact O-CB 3.4Å; M93-K97 PolarHBondContact O-N 2.85Å; K97-L101 HydrophobicContact CG-CD1 4.16Å; K97-L101 VanDerWaalsContact O-CG 3.26Å; K97-L101 WeakPolarHBondContact O-CG 3.26Å; K97-L101 PolarHBondContact O-N 3.2Å |
| 98 | E | 91.2 | Very high | 91.1 | Very high | 81 Ų | 81 | 62 Ų | 62 | 38% | 0.379 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.5 | -47.5 | 179.9 | -169.7 | 60.4 | -158.2 | 0 | 0 | 111.4 | D94 T95 M100 L101 V102 R112 | D94-E98 WeakPolarHBondContact O-CB 3.08Å; D94-E98 PolarHBondContact O-N 2.94Å; T95-E98 PolarHBondContact O-N 3.46Å; E98-M100 VanDerWaalsContact C-N 3.34Å; E98-M100 PolarHBondContact O-N 3.25Å; E98-L101 PolarHBondContact O-N 3.16Å; E98-V102 WeakPolarHBondContact O-CB 3.5Å; E98-V102 WeakPolarHBondContact O-CG2 3.44Å; E98-V102 PolarHBondContact O-N 2.95Å; E98-R112 IonicContact OE1-CZ 2.97Å; E98-R112 IonicContact OE1-NH1 2.69Å; E98-R112 PolarHBondContact OE1-NH1 3.33Å; E98-R112 IonicContact OE1-NH2 3.42Å; E98-R112 IonicContact OE2-CZ 2.68Å; E98-R112 IonicContact OE2-NH1 3.59Å; E98-R112 PolarHBondContact OE2-NH1 2.95Å; E98-R112 IonicContact OE2-NH2 3.41Å; E98-R112 PolarHBondContact OE2-NH2 3.4Å |
| 99 | D | 90.9 | Very high | 91.1 | Very high | 33 Ų | 33 | 60.2 Ų | 60.2 | 18% | 0.176 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 177.4 | 179.6 | 84.4 | 0 | 0 | 0 | 111.8 | F27 T95 L101 V102 R103 | F27-D99 HydrophobicContact CD2-CB 3.84Å; F27-D99 VanDerWaalsContact CD2-OD2 3.32Å; F27-D99 WeakPolarHBondContact CD2-OD2 3.31Å; F27-D99 HydrophobicContact CE2-CB 4Å; F27-D99 WeakPolarHBondContact CE2-OD2 3.39Å; T95-D99 WeakPolarHBondContact O-CB 3.42Å; T95-D99 PolarHBondContact O-N 3.33Å; D99-L101 PolarHBondContact O-N 3.42Å; D99-V102 PolarHBondContact O-N 3.39Å; D99-R103 VanDerWaalsContact CG-NE 3.31Å; D99-R103 WeakPolarHBondContact O-CB 3.32Å; D99-R103 VanDerWaalsContact O-CG 3.31Å; D99-R103 WeakPolarHBondContact O-CG 3.31Å; D99-R103 PolarHBondContact O-N 3.13Å; D99-R103 IonicContact OD1-CZ 3.54Å; D99-R103 IonicContact OD1-NE 3.54Å; D99-R103 PolarHBondContact OD1-NE 2.99Å; D99-R103 IonicContact OD1-NH2 2.7Å; D99-R103 PolarHBondContact OD1-NH2 3.5Å; D99-R103 WeakPolarHBondContact OD2-CD 3.32Å; D99-R103 IonicContact OD2-CZ 3.22Å; D99-R103 IonicContact OD2-NE 3.06Å; D99-R103 PolarHBondContact OD2-NE 3.05Å; D99-R103 IonicContact OD2-NH2 2.7Å; D99-R103 PolarHBondContact OD2-NH2 3.19Å |
| 100 | M | 92 | Very high | 91.2 | Very high | 40 Ų | 40 | 63.2 Ų | 63.2 | 20% | 0.197 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.2 | -47.2 | 175.4 | -178.3 | -177.3 | -69.7 | 0 | 0 | 112 | V73 Y76 I96 E98 R103 F104 | V73-M100 HydrophobicContact CB-SD 4.31Å; V73-M100 HydrophobicContact CG1-CG 4.43Å; V73-M100 HydrophobicContact CG1-SD 4.08Å; V73-M100 HydrophobicContact CG2-CG 4.13Å; V73-M100 HydrophobicContact CG2-SD 4.05Å; Y76-M100 HydrophobicContact CD2-CE 3.83Å; Y76-M100 HydrophobicContact CG-CE 3.93Å; I96-M100 WeakPolarHBondContact O-CB 3.37Å; I96-M100 PolarHBondContact O-N 2.91Å; E98-M100 VanDerWaalsContact C-N 3.34Å; E98-M100 PolarHBondContact O-N 3.25Å; M100-R103 PolarHBondContact O-N 2.9Å; M100-F104 VanDerWaalsContact O-CB 3.3Å; M100-F104 WeakPolarHBondContact O-CB 3.25Å; M100-F104 PolarHBondContact O-N 3.48Å |
| 101 | L | 91.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 178.9 | -70.1 | 173.2 | 0 | 0 | 0 | 111.5 | V73 L77 K97 E98 D99 F104 F105 | V73-L101 HydrophobicContact CG1-CD2 4.41Å; L77-L101 HydrophobicContact CD1-CD2 4.27Å; K97-L101 HydrophobicContact CG-CD1 4.16Å; K97-L101 VanDerWaalsContact O-CG 3.26Å; K97-L101 WeakPolarHBondContact O-CG 3.26Å; K97-L101 PolarHBondContact O-N 3.2Å; E98-L101 PolarHBondContact O-N 3.16Å; D99-L101 PolarHBondContact O-N 3.42Å; L101-F104 PolarHBondContact O-N 3.37Å; L101-F105 HydrophobicContact CB-CD2 4.46Å; L101-F105 HydrophobicContact CD2-CD2 4.16Å; L101-F105 HydrophobicContact CD2-CE2 3.69Å; L101-F105 WeakPolarHBondContact O-CB 3.3Å; L101-F105 VanDerWaalsContact O-CD2 3.29Å; L101-F105 WeakPolarHBondContact O-CD2 3.43Å; L101-F105 PolarHBondContact O-N 3.06Å |
| 102 | V | 91.1 | Very high | 91.3 | Very high | 45 Ų | 45 | 61.3 Ų | 61.3 | 27% | 0.273 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59 | -48.8 | 176 | 158.7 | 0 | 0 | 0 | 0 | 111 | E98 D99 N106 N107 | E98-V102 WeakPolarHBondContact O-CB 3.5Å; E98-V102 WeakPolarHBondContact O-CG2 3.44Å; E98-V102 PolarHBondContact O-N 2.95Å; D99-V102 PolarHBondContact O-N 3.39Å; V102-N106 WeakPolarHBondContact O-CA 3.48Å; V102-N106 PolarHBondContact O-N 3.1Å; V102-N107 VanDerWaalsContact CG1-OD1 3.23Å; V102-N107 WeakPolarHBondContact CG1-OD1 3.29Å; V102-N107 PolarHBondContact O-N 3.34Å |
| 103 | R | 90.3 | Very high | 91.5 | Very high | 148 Ų | 148 | 66 Ų | 66 | 56% | 0.558 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -65.3 | -45.4 | 179.3 | -71.7 | 179.4 | -165.6 | -103.5 | -5.5 | 112.3 | D99 M100 | D99-R103 VanDerWaalsContact CG-NE 3.31Å; D99-R103 WeakPolarHBondContact O-CB 3.32Å; D99-R103 VanDerWaalsContact O-CG 3.31Å; D99-R103 WeakPolarHBondContact O-CG 3.31Å; D99-R103 PolarHBondContact O-N 3.13Å; D99-R103 IonicContact OD1-CZ 3.54Å; D99-R103 IonicContact OD1-NE 3.54Å; D99-R103 PolarHBondContact OD1-NE 2.99Å; D99-R103 IonicContact OD1-NH2 2.7Å; D99-R103 PolarHBondContact OD1-NH2 3.5Å; D99-R103 WeakPolarHBondContact OD2-CD 3.32Å; D99-R103 IonicContact OD2-CZ 3.22Å; D99-R103 IonicContact OD2-NE 3.06Å; D99-R103 PolarHBondContact OD2-NE 3.05Å; D99-R103 IonicContact OD2-NH2 2.7Å; D99-R103 PolarHBondContact OD2-NH2 3.19Å; M100-R103 PolarHBondContact O-N 2.9Å |
| 104 | F | 91.9 | Very high | 91.6 | Very high | 56 Ų | 56 | 69.9 Ų | 69.9 | 25% | 0.246 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -69.6 | -40.2 | -175.9 | -176.6 | -109 | 0 | 0 | 0 | 112.5 | Q69 V73 M100 L101 | Q69-F104 HydrophobicContact CB-CD2 4.32Å; Q69-F104 HydrophobicContact CB-CE2 3.8Å; V73-F104 HydrophobicContact CG2-CB 4.35Å; V73-F104 HydrophobicContact CG2-CD1 4.42Å; V73-F104 HydrophobicContact CG2-CD2 4.1Å; V73-F104 HydrophobicContact CG2-CG 4.03Å; M100-F104 VanDerWaalsContact O-CB 3.3Å; M100-F104 WeakPolarHBondContact O-CB 3.25Å; M100-F104 PolarHBondContact O-N 3.48Å; L101-F104 PolarHBondContact O-N 3.37Å |
| 105 | F | 91.3 | Very high | 91.7 | Very high | 17 Ų | 17 | 66.8 Ų | 66.8 | 8% | 0.075 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -91.3 | -0.5 | -179.2 | -66.6 | -64.5 | 0 | 0 | 0 | 114.4 | L101 N107 S108 K111 R112 F115 | L101-F105 HydrophobicContact CB-CD2 4.46Å; L101-F105 HydrophobicContact CD2-CD2 4.16Å; L101-F105 HydrophobicContact CD2-CE2 3.69Å; L101-F105 WeakPolarHBondContact O-CB 3.3Å; L101-F105 VanDerWaalsContact O-CD2 3.29Å; L101-F105 WeakPolarHBondContact O-CD2 3.43Å; L101-F105 PolarHBondContact O-N 3.06Å; F105-N107 VanDerWaalsContact C-N 3.27Å; F105-N107 PolarHBondContact O-N 3.08Å; F105-S108 WeakPolarHBondContact O-CB 3.46Å; F105-S108 PolarHBondContact O-N 2.67Å; F105-K111 HydrophobicContact CD1-CB 3.51Å; F105-K111 HydrophobicContact CE1-CB 4.08Å; F105-K111 HydrophobicContact CG-CB 4.34Å; F105-R112 HydrophobicContact CB-CB 4.39Å; F105-R112 HydrophobicContact CD2-CB 3.69Å; F105-R112 HydrophobicContact CD2-CG 4.09Å; F105-R112 HydrophobicContact CE2-CB 4.19Å; F105-R112 HydrophobicContact CE2-CG 4.38Å; F105-R112 HydrophobicContact CG-CB 3.99Å; F105-F115 HydrophobicContact CE1-CB 3.85Å; F105-F115 HydrophobicContact CE1-CG 4.17Å; F105-F115 HydrophobicContact CE2-CB 4.22Å; F105-F115 AromaticContact CE2-CD1 3.91Å; F105-F115 HydrophobicContact CE2-CD1 3.91Å; F105-F115 HydrophobicContact CE2-CE1 4.46Å; F105-F115 HydrophobicContact CE2-CG 4.15Å; F105-F115 HydrophobicContact CZ-CB 3.34Å; F105-F115 AromaticContact CZ-CD1 3.54Å; F105-F115 HydrophobicContact CZ-CD1 3.54Å; F105-F115 AromaticContact CZ-CD2 3.88Å; F105-F115 HydrophobicContact CZ-CD2 3.88Å; F105-F115 HydrophobicContact CZ-CE1 4.21Å; F105-F115 AromaticContact CZ-CG 3.33Å; F105-F115 HydrophobicContact CZ-CG 3.33Å |
| 106 | N | 88.8 | Confident | 91.9 | Very high | 139 Ų | 139 | 66.1 Ų | 66.1 | 74% | 0.743 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 49.4 | -174.8 | -170.6 | 25.4 | 0 | 0 | 0 | 111.5 | V102 S108 | V102-N106 WeakPolarHBondContact O-CA 3.48Å; V102-N106 PolarHBondContact O-N 3.1Å; N106-S108 PolarHBondContact O-N 2.99Å |
| 107 | N | 83.1 | Confident | 92 | Very high | 122 Ų | 122 | 70.8 Ų | 70.8 | 65% | 0.652 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 14.8 | -175.1 | -68.2 | -44 | 0 | 0 | 0 | 116.4 | V102 F105 S109 | V102-N107 VanDerWaalsContact CG1-OD1 3.23Å; V102-N107 WeakPolarHBondContact CG1-OD1 3.29Å; V102-N107 PolarHBondContact O-N 3.34Å; F105-N107 VanDerWaalsContact C-N 3.27Å; F105-N107 PolarHBondContact O-N 3.08Å; N107-S109 PolarHBondContact O-N 3.27Å |
| 108 | S | 91.5 | Very high | 92.1 | Very high | 32 Ų | 32 | 73.6 Ų | 73.6 | 22% | 0.224 | 37% | 0.371 | C | S | . | . | trans | -77.2 | 104.4 | 175.3 | -176.3 | 0 | 0 | 0 | 0 | 111.2 | F105 N106 S110 K111 R112 | F105-S108 WeakPolarHBondContact O-CB 3.46Å; F105-S108 PolarHBondContact O-N 2.67Å; N106-S108 PolarHBondContact O-N 2.99Å; S108-S110 PolarHBondContact O-N 3.03Å; S108-S110 PolarHBondContact OG-OG 3.22Å; S108-K111 WeakPolarHBondContact OG-CG 3.44Å; S108-R112 WeakPolarHBondContact O-CB 3.42Å; S108-R112 PolarHBondContact O-N 3.36Å; S108-R112 VanDerWaalsContact O-N 3.13Å | ||
| 109 | S | 90.6 | Very high | 92.2 | Very high | 94 Ų | 94 | 72.7 Ų | 72.7 | 66% | 0.657 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.4 | -40.2 | 179 | 55.1 | 0 | 0 | 0 | 0 | 113.1 | N107 R112 E113 | N107-S109 PolarHBondContact O-N 3.27Å; S109-R112 PolarHBondContact O-N 3.49Å; S109-E113 WeakPolarHBondContact O-CB 3.43Å; S109-E113 PolarHBondContact O-N 3.21Å |
| 110 | S | 93.4 | Very high | 92.3 | Very high | 67 Ų | 67 | 78.9 Ų | 78.9 | 47% | 0.469 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.6 | -48.5 | 179.3 | 54.4 | 0 | 0 | 0 | 0 | 112.4 | S108 R112 E113 D114 | S108-S110 PolarHBondContact O-N 3.03Å; S108-S110 PolarHBondContact OG-OG 3.22Å; S110-R112 VanDerWaalsContact C-N 3.31Å; S110-R112 PolarHBondContact O-N 3.15Å; S110-E113 PolarHBondContact O-N 3.26Å; S110-D114 PolarHBondContact O-N 3.42Å |
| 111 | K | 93.1 | Very high | 92.5 | Very high | 131 Ų | 131 | 80.7 Ų | 80.7 | 57% | 0.57 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61 | -41.9 | 177 | -67 | -180 | -175.1 | 178.8 | 0 | 111.7 | F105 S108 F115 | F105-K111 HydrophobicContact CD1-CB 3.51Å; F105-K111 HydrophobicContact CE1-CB 4.08Å; F105-K111 HydrophobicContact CG-CB 4.34Å; S108-K111 WeakPolarHBondContact OG-CG 3.44Å; K111-F115 VanDerWaalsContact O-CB 3.25Å; K111-F115 WeakPolarHBondContact O-CB 3.23Å; K111-F115 PolarHBondContact O-N 3.22Å |
| 112 | R | 93.1 | Very high | 92.6 | Very high | 73 Ų | 73 | 84.2 Ų | 84.2 | 28% | 0.275 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.1 | -48.1 | 176.1 | 176.1 | -174.8 | 173 | 168.9 | 6.2 | 111.2 | E98 F105 S108 S109 S110 F115 L116 | E98-R112 IonicContact OE1-CZ 2.97Å; E98-R112 IonicContact OE1-NH1 2.69Å; E98-R112 PolarHBondContact OE1-NH1 3.33Å; E98-R112 IonicContact OE1-NH2 3.42Å; E98-R112 IonicContact OE2-CZ 2.68Å; E98-R112 IonicContact OE2-NH1 3.59Å; E98-R112 PolarHBondContact OE2-NH1 2.95Å; E98-R112 IonicContact OE2-NH2 3.41Å; E98-R112 PolarHBondContact OE2-NH2 3.4Å; F105-R112 HydrophobicContact CB-CB 4.39Å; F105-R112 HydrophobicContact CD2-CB 3.69Å; F105-R112 HydrophobicContact CD2-CG 4.09Å; F105-R112 HydrophobicContact CE2-CB 4.19Å; F105-R112 HydrophobicContact CE2-CG 4.38Å; F105-R112 HydrophobicContact CG-CB 3.99Å; S108-R112 WeakPolarHBondContact O-CB 3.42Å; S108-R112 PolarHBondContact O-N 3.36Å; S108-R112 VanDerWaalsContact O-N 3.13Å; S109-R112 PolarHBondContact O-N 3.49Å; S110-R112 VanDerWaalsContact C-N 3.31Å; S110-R112 PolarHBondContact O-N 3.15Å; R112-F115 PolarHBondContact O-N 3.4Å; R112-L116 HydrophobicContact CG-CD1 4.11Å; R112-L116 WeakPolarHBondContact O-CB 3.18Å; R112-L116 VanDerWaalsContact O-CG 3.29Å; R112-L116 WeakPolarHBondContact O-CG 3.44Å; R112-L116 PolarHBondContact O-N 3.16Å |
| 113 | E | 94.4 | Very high | 92.7 | Very high | 108 Ų | 108 | 87.1 Ų | 87.1 | 51% | 0.505 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.6 | -45.7 | -178.6 | -167 | -171.7 | 154.4 | 0 | 0 | 111.5 | S109 S110 F115 L116 K117 | S109-E113 WeakPolarHBondContact O-CB 3.43Å; S109-E113 PolarHBondContact O-N 3.21Å; S110-E113 PolarHBondContact O-N 3.26Å; E113-F115 VanDerWaalsContact C-N 3.34Å; E113-F115 PolarHBondContact O-N 2.89Å; E113-L116 PolarHBondContact O-N 3.42Å; E113-K117 HydrophobicContact CG-CD 4.49Å; E113-K117 VanDerWaalsContact O-CG 3.32Å; E113-K117 WeakPolarHBondContact O-CG 3.24Å; E113-K117 PolarHBondContact O-N 2.87Å; E113-K117 WeakPolarHBondContact OE1-CE 3.45Å; E113-K117 IonicContact OE1-NZ 3.63Å; E113-K117 PolarHBondContact OE1-NZ 3.22Å |
| 114 | D | 95.7 | Very high | 93 | Very high | 88 Ų | 88 | 87.5 Ų | 87.5 | 47% | 0.471 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 177.8 | -70.6 | -20.2 | 0 | 0 | 0 | 111.5 | S110 K117 L118 | S110-D114 PolarHBondContact O-N 3.42Å; D114-K117 WeakPolarHBondContact O-CB 3.47Å; D114-K117 PolarHBondContact O-N 3.48Å; D114-K117 IonicContact OD1-NZ 3.77Å; D114-L118 VanDerWaalsContact O-CG 3.32Å; D114-L118 WeakPolarHBondContact O-CG 3.48Å; D114-L118 PolarHBondContact O-N 3.12Å |
| 115 | F | 95.4 | Very high | 93.2 | Very high | 18 Ų | 18 | 88.3 Ų | 88.3 | 8% | 0.079 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 173.8 | 177.2 | -97.4 | 0 | 0 | 0 | 112.7 | S70 V73 S74 L77 F105 K111 R112 E113 K117 L118 I119 | S70-F115 WeakPolarHBondContact OG-CE2 3.39Å; V73-F115 HydrophobicContact CB-CZ 4.34Å; V73-F115 HydrophobicContact CG1-CE1 3.97Å; V73-F115 HydrophobicContact CG1-CZ 3.93Å; S74-F115 WeakPolarHBondContact OG-CZ 3.4Å; L77-F115 HydrophobicContact CD1-CE1 3.7Å; F105-F115 HydrophobicContact CE1-CB 3.85Å; F105-F115 HydrophobicContact CE1-CG 4.17Å; F105-F115 HydrophobicContact CE2-CB 4.22Å; F105-F115 AromaticContact CE2-CD1 3.91Å; F105-F115 HydrophobicContact CE2-CD1 3.91Å; F105-F115 HydrophobicContact CE2-CE1 4.46Å; F105-F115 HydrophobicContact CE2-CG 4.15Å; F105-F115 HydrophobicContact CZ-CB 3.34Å; F105-F115 AromaticContact CZ-CD1 3.54Å; F105-F115 HydrophobicContact CZ-CD1 3.54Å; F105-F115 AromaticContact CZ-CD2 3.88Å; F105-F115 HydrophobicContact CZ-CD2 3.88Å; F105-F115 HydrophobicContact CZ-CE1 4.21Å; F105-F115 AromaticContact CZ-CG 3.33Å; F105-F115 HydrophobicContact CZ-CG 3.33Å; K111-F115 VanDerWaalsContact O-CB 3.25Å; K111-F115 WeakPolarHBondContact O-CB 3.23Å; K111-F115 PolarHBondContact O-N 3.22Å; R112-F115 PolarHBondContact O-N 3.4Å; E113-F115 VanDerWaalsContact C-N 3.34Å; E113-F115 PolarHBondContact O-N 2.89Å; F115-K117 VanDerWaalsContact C-N 3.27Å; F115-K117 PolarHBondContact O-N 3.42Å; F115-L118 WeakPolarHBondContact O-CB 3.25Å; F115-L118 PolarHBondContact O-N 3.34Å; F115-L118 VanDerWaalsContact O-N 3.14Å; F115-I119 HydrophobicContact CE1-CD1 4.49Å; F115-I119 HydrophobicContact CE1-CG2 4.19Å; F115-I119 HydrophobicContact CE2-CG2 4.44Å; F115-I119 HydrophobicContact CZ-CG2 4.16Å; F115-I119 PolarHBondContact O-N 2.94Å; F115-I119 VanDerWaalsContact O-N 3.12Å |
| 116 | L | 93.8 | Very high | 93.5 | Very high | 30 Ų | 30 | 92 Ų | 92 | 16% | 0.157 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -64.2 | -32.4 | 177.4 | -71.3 | 176.7 | 0 | 0 | 0 | 112.2 | L77 R112 E113 I119 R120 | L77-L116 HydrophobicContact CD1-CD2 4Å; R112-L116 HydrophobicContact CG-CD1 4.11Å; R112-L116 WeakPolarHBondContact O-CB 3.18Å; R112-L116 VanDerWaalsContact O-CG 3.29Å; R112-L116 WeakPolarHBondContact O-CG 3.44Å; R112-L116 PolarHBondContact O-N 3.16Å; E113-L116 PolarHBondContact O-N 3.42Å; L116-I119 HydrophobicContact CD2-CD1 3.73Å; L116-I119 WeakPolarHBondContact O-CG1 3.31Å; L116-R120 WeakPolarHBondContact O-CB 3.46Å; L116-R120 WeakPolarHBondContact O-CD 3.42Å; L116-R120 VanDerWaalsContact O-CG 3.26Å; L116-R120 WeakPolarHBondContact O-CG 3.27Å; L116-R120 PolarHBondContact O-N 3.17Å |
| 117 | K | 95.3 | Very high | 93.9 | Very high | 107 Ų | 107 | 90.5 Ų | 90.5 | 47% | 0.465 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.9 | -47.1 | 171.5 | -74.6 | 168.1 | -176.2 | 158.5 | 0 | 110.6 | E113 D114 F115 I119 R120 I121 | E113-K117 HydrophobicContact CG-CD 4.49Å; E113-K117 VanDerWaalsContact O-CG 3.32Å; E113-K117 WeakPolarHBondContact O-CG 3.24Å; E113-K117 PolarHBondContact O-N 2.87Å; E113-K117 WeakPolarHBondContact OE1-CE 3.45Å; E113-K117 IonicContact OE1-NZ 3.63Å; E113-K117 PolarHBondContact OE1-NZ 3.22Å; D114-K117 WeakPolarHBondContact O-CB 3.47Å; D114-K117 PolarHBondContact O-N 3.48Å; D114-K117 IonicContact OD1-NZ 3.77Å; F115-K117 VanDerWaalsContact C-N 3.27Å; F115-K117 PolarHBondContact O-N 3.42Å; K117-I119 PolarHBondContact O-N 2.94Å; K117-R120 PolarHBondContact O-N 3.35Å; K117-I121 WeakPolarHBondContact O-CG1 3.35Å; K117-I121 PolarHBondContact O-N 3.28Å |
| 118 | L | 95.3 | Very high | 94.6 | Very high | 116 Ų | 116 | 86.4 Ų | 86.4 | 61% | 0.607 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -59.7 | -45.9 | -178.2 | -71.3 | 171.7 | 0 | 0 | 0 | 112.7 | D114 F115 R120 I121 | D114-L118 VanDerWaalsContact O-CG 3.32Å; D114-L118 WeakPolarHBondContact O-CG 3.48Å; D114-L118 PolarHBondContact O-N 3.12Å; F115-L118 WeakPolarHBondContact O-CB 3.25Å; F115-L118 PolarHBondContact O-N 3.34Å; F115-L118 VanDerWaalsContact O-N 3.14Å; L118-R120 PolarHBondContact O-N 3.41Å; L118-I121 HydrophobicContact CD2-CD1 4.05Å; L118-I121 WeakPolarHBondContact O-CG1 3.47Å; L118-I121 PolarHBondContact O-N 2.69Å |
| 119 | I | 94 | Very high | 94.9 | Very high | 62 Ų | 62 | 88.8 Ų | 88.8 | 32% | 0.318 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68.8 | -23.1 | -178.6 | 67.4 | 176.8 | 0 | 0 | 0 | 113.3 | L77 F115 L116 K117 | L77-I119 HydrophobicContact CB-CD1 4.49Å; L77-I119 HydrophobicContact CD1-CD1 3.62Å; F115-I119 HydrophobicContact CE1-CD1 4.49Å; F115-I119 HydrophobicContact CE1-CG2 4.19Å; F115-I119 HydrophobicContact CE2-CG2 4.44Å; F115-I119 HydrophobicContact CZ-CG2 4.16Å; F115-I119 PolarHBondContact O-N 2.94Å; F115-I119 VanDerWaalsContact O-N 3.12Å; L116-I119 HydrophobicContact CD2-CD1 3.73Å; L116-I119 WeakPolarHBondContact O-CG1 3.31Å; K117-I119 PolarHBondContact O-N 2.94Å |
| 120 | R | 93.8 | Very high | 95.2 | Very high | 163 Ų | 163 | 91.3 Ų | 91.3 | 62% | 0.615 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -2.3 | -177.7 | -72.3 | 175.6 | 179.7 | 174.2 | -0.2 | 113.7 | L116 K117 L118 P122 | L116-R120 WeakPolarHBondContact O-CB 3.46Å; L116-R120 WeakPolarHBondContact O-CD 3.42Å; L116-R120 VanDerWaalsContact O-CG 3.26Å; L116-R120 WeakPolarHBondContact O-CG 3.27Å; L116-R120 PolarHBondContact O-N 3.17Å; K117-R120 PolarHBondContact O-N 3.35Å; L118-R120 PolarHBondContact O-N 3.41Å; R120-P122 WeakPolarHBondContact O-CD 3.46Å |
| 121 | I | 95.2 | Very high | 95.4 | Very high | 78 Ų | 78 | 94.6 Ų | 94.6 | 40% | 0.4 | 46% | 0.455 | S | S | . | . | trans | -62.2 | 120.4 | -178.6 | -66.2 | 176.8 | 0 | 0 | 0 | 109.4 | K117 L118 V123 V128 | K117-I121 WeakPolarHBondContact O-CG1 3.35Å; K117-I121 PolarHBondContact O-N 3.28Å; L118-I121 HydrophobicContact CD2-CD1 4.05Å; L118-I121 WeakPolarHBondContact O-CG1 3.47Å; L118-I121 PolarHBondContact O-N 2.69Å; I121-V123 PolarHBondContact O-N 3.29Å; I121-V128 HydrophobicContact CG2-CG1 3.31Å | ||
| 122 | P | 94.1 | Very high | 95.6 | Very high | 74 Ų | 74 | 91 Ų | 91 | 48% | 0.481 | 45% | 0.45 | S | S | . | . | trans | -77.3 | 96.3 | 179.8 | 29.9 | -31.9 | 0 | 0 | 0 | 109.9 | R120 N124 D125 V128 | R120-P122 WeakPolarHBondContact O-CD 3.46Å; P122-N124 PolarHBondContact O-N 3.29Å; P122-N124 VanDerWaalsContact O-N 3.1Å; P122-D125 HydrophobicContact CB-CB 4.27Å; P122-D125 HydrophobicContact CG-CB 4.03Å; P122-D125 WeakPolarHBondContact O-CB 3.06Å; P122-D125 PolarHBondContact O-N 2.87Å; P122-V128 HydrophobicContact CG-CG2 4.06Å | ||
| 123 | V | 93.8 | Very high | 95.8 | Very high | 106 Ų | 106 | 93.2 Ų | 93.2 | 64% | 0.642 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -23.1 | -177.5 | -177.6 | 0 | 0 | 0 | 0 | 112.8 | I121 D125 Q129 | I121-V123 PolarHBondContact O-N 3.29Å; V123-D125 VanDerWaalsContact C-N 3.34Å; V123-Q129 VanDerWaalsContact O-CG 3.29Å; V123-Q129 WeakPolarHBondContact O-CG 3.38Å; V123-Q129 PolarHBondContact O-NE2 2.96Å |
| 124 | N | 95.3 | Very high | 96 | Very high | 157 Ų | 157 | 94.4 Ų | 94.4 | 84% | 0.84 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -8.8 | 178.5 | -63.6 | -23.9 | 0 | 0 | 0 | 113.9 | P122 | P122-N124 PolarHBondContact O-N 3.29Å; P122-N124 VanDerWaalsContact O-N 3.1Å |
| 125 | D | 97.4 | Very high | 96 | Very high | 72 Ų | 72 | 95.1 Ų | 95.1 | 39% | 0.385 | 48% | 0.476 | S | S | . | . | trans | -78.1 | 123.9 | 177.5 | -177.9 | -40.5 | 0 | 0 | 0 | 110.6 | P122 V123 Q127 V128 Q129 | P122-D125 HydrophobicContact CB-CB 4.27Å; P122-D125 HydrophobicContact CG-CB 4.03Å; P122-D125 WeakPolarHBondContact O-CB 3.06Å; P122-D125 PolarHBondContact O-N 2.87Å; V123-D125 VanDerWaalsContact C-N 3.34Å; D125-Q127 VanDerWaalsContact C-N 3.3Å; D125-Q127 PolarHBondContact O-N 2.96Å; D125-Q127 WeakPolarHBondContact OD1-CA 3.21Å; D125-Q127 WeakPolarHBondContact OD1-CB 3.44Å; D125-Q127 PolarHBondContact OD1-N 3.4Å; D125-V128 HydrophobicContact CB-CB 3.99Å; D125-V128 HydrophobicContact CB-CG2 3.83Å; D125-V128 WeakPolarHBondContact O-CB 3.38Å; D125-V128 PolarHBondContact O-N 3.34Å; D125-V128 PolarHBondContact OD1-N 2.86Å; D125-Q129 WeakPolarHBondContact O-CG 3.27Å; D125-Q129 PolarHBondContact O-N 2.88Å | ||
| 126 | L | 97.2 | Very high | 96 | Very high | 95 Ų | 95 | 98.1 Ų | 98.1 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.6 | -36.7 | -178.3 | -179.4 | 63.2 | 0 | 0 | 0 | 113.2 | Q129 R130 | L126-Q129 PolarHBondContact O-N 3.42Å; L126-R130 VanDerWaalsContact O-CG 3.3Å; L126-R130 WeakPolarHBondContact O-CG 3.13Å; L126-R130 PolarHBondContact O-N 3.07Å |
| 127 | Q | 97.4 | Very high | 95.9 | Very high | 108 Ų | 108 | 102.8 Ų | 102.8 | 51% | 0.505 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.3 | -38.8 | 178.3 | -67.4 | -64.6 | -26.8 | 0 | 0 | 111.3 | D125 R130 K131 | D125-Q127 VanDerWaalsContact C-N 3.3Å; D125-Q127 PolarHBondContact O-N 2.96Å; D125-Q127 WeakPolarHBondContact OD1-CA 3.21Å; D125-Q127 WeakPolarHBondContact OD1-CB 3.44Å; D125-Q127 PolarHBondContact OD1-N 3.4Å; Q127-R130 PolarHBondContact O-N 3.26Å; Q127-K131 WeakPolarHBondContact O-CG 3.48Å; Q127-K131 PolarHBondContact O-N 3.48Å |
| 128 | V | 97.3 | Very high | 95.9 | Very high | 35 Ų | 35 | 105.1 Ų | 105.1 | 21% | 0.212 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 174 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | I121 P122 D125 R130 K131 A132 | I121-V128 HydrophobicContact CG2-CG1 3.31Å; P122-V128 HydrophobicContact CG-CG2 4.06Å; D125-V128 HydrophobicContact CB-CB 3.99Å; D125-V128 HydrophobicContact CB-CG2 3.83Å; D125-V128 WeakPolarHBondContact O-CB 3.38Å; D125-V128 PolarHBondContact O-N 3.34Å; D125-V128 PolarHBondContact OD1-N 2.86Å; V128-R130 PolarHBondContact O-N 3.49Å; V128-K131 PolarHBondContact O-N 3.49Å; V128-A132 WeakPolarHBondContact O-CB 3.43Å; V128-A132 PolarHBondContact O-N 3.37Å |
| 129 | Q | 97.1 | Very high | 95.8 | Very high | 83 Ų | 83 | 103 Ų | 103 | 39% | 0.388 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.1 | -47.4 | 176.7 | -68.8 | 170.9 | 4.1 | 0 | 0 | 111.7 | V123 D125 L126 K131 A132 I133 | V123-Q129 VanDerWaalsContact O-CG 3.29Å; V123-Q129 WeakPolarHBondContact O-CG 3.38Å; V123-Q129 PolarHBondContact O-NE2 2.96Å; D125-Q129 WeakPolarHBondContact O-CG 3.27Å; D125-Q129 PolarHBondContact O-N 2.88Å; L126-Q129 PolarHBondContact O-N 3.42Å; Q129-K131 VanDerWaalsContact C-N 3.33Å; Q129-K131 PolarHBondContact O-N 3.35Å; Q129-A132 PolarHBondContact O-N 2.96Å; Q129-I133 WeakPolarHBondContact O-CG1 3.35Å; Q129-I133 PolarHBondContact O-N 3.42Å |
| 130 | R | 97.6 | Very high | 95.8 | Very high | 147 Ų | 147 | 105.3 Ų | 105.3 | 56% | 0.555 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -58.6 | -43.4 | 177.6 | -73.9 | 173.7 | 179.3 | -166.7 | 0.1 | 112.2 | L126 Q127 V128 N134 | L126-R130 VanDerWaalsContact O-CG 3.3Å; L126-R130 WeakPolarHBondContact O-CG 3.13Å; L126-R130 PolarHBondContact O-N 3.07Å; Q127-R130 PolarHBondContact O-N 3.26Å; V128-R130 PolarHBondContact O-N 3.49Å; R130-N134 WeakPolarHBondContact O-CB 3.33Å; R130-N134 PolarHBondContact O-N 2.95Å |
| 131 | K | 97.6 | Very high | 95.6 | Very high | 135 Ų | 135 | 102.3 Ų | 102.3 | 59% | 0.587 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.8 | -46.4 | 176.1 | -73 | 178 | 178 | -178.2 | 0 | 111.8 | Q127 V128 Q129 I133 N134 E135 | Q127-K131 WeakPolarHBondContact O-CG 3.48Å; Q127-K131 PolarHBondContact O-N 3.48Å; V128-K131 PolarHBondContact O-N 3.49Å; Q129-K131 VanDerWaalsContact C-N 3.33Å; Q129-K131 PolarHBondContact O-N 3.35Å; K131-I133 VanDerWaalsContact C-N 3.33Å; K131-I133 PolarHBondContact O-N 2.92Å; K131-N134 WeakPolarHBondContact O-CB 3.32Å; K131-N134 PolarHBondContact O-N 3.49Å; K131-N134 VanDerWaalsContact O-N 3.16Å; K131-E135 PolarHBondContact O-N 3.49Å |
| 132 | A | 96.6 | Very high | 95.3 | Very high | 56 Ų | 56 | 104.5 Ų | 104.5 | 46% | 0.463 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.4 | -44.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V128 Q129 E135 L136 | V128-A132 WeakPolarHBondContact O-CB 3.43Å; V128-A132 PolarHBondContact O-N 3.37Å; Q129-A132 PolarHBondContact O-N 2.96Å; A132-E135 PolarHBondContact O-N 3.49Å; A132-L136 WeakPolarHBondContact O-CB 3.3Å; A132-L136 PolarHBondContact O-N 2.68Å |
| 133 | I | 97.5 | Very high | 94.9 | Very high | 120 Ų | 120 | 107 Ų | 107 | 62% | 0.615 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.7 | -38.4 | 177.1 | -63.2 | -58.8 | 0 | 0 | 0 | 111.9 | Q129 K131 E135 L136 | Q129-I133 WeakPolarHBondContact O-CG1 3.35Å; Q129-I133 PolarHBondContact O-N 3.42Å; K131-I133 VanDerWaalsContact C-N 3.33Å; K131-I133 PolarHBondContact O-N 2.92Å; I133-E135 VanDerWaalsContact C-N 3.29Å; I133-E135 PolarHBondContact O-N 3.31Å; I133-L136 HydrophobicContact CD1-CD2 4.36Å; I133-L136 WeakPolarHBondContact O-CB 3.22Å; I133-L136 PolarHBondContact O-N 3.29Å |
| 134 | N | 97.6 | Very high | 94.2 | Very high | 132 Ų | 132 | 104.9 Ų | 104.9 | 71% | 0.706 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.6 | -33.7 | 176.4 | -177.9 | 60.3 | 0 | 0 | 0 | 112.8 | R130 K131 | R130-N134 WeakPolarHBondContact O-CB 3.33Å; R130-N134 PolarHBondContact O-N 2.95Å; K131-N134 WeakPolarHBondContact O-CB 3.32Å; K131-N134 PolarHBondContact O-N 3.49Å; K131-N134 VanDerWaalsContact O-N 3.16Å |
| 135 | E | 96.8 | Very high | 92.9 | Very high | 103 Ų | 103 | 103.1 Ų | 103.1 | 48% | 0.481 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -89.8 | -14.6 | -179.7 | -68.4 | 175.2 | -152.8 | 0 | 0 | 113.6 | K131 A132 I133 I137 K138 V139 | K131-E135 PolarHBondContact O-N 3.49Å; A132-E135 PolarHBondContact O-N 3.49Å; I133-E135 VanDerWaalsContact C-N 3.29Å; I133-E135 PolarHBondContact O-N 3.31Å; E135-I137 VanDerWaalsContact C-N 3.31Å; E135-I137 PolarHBondContact O-N 3.33Å; E135-I137 VanDerWaalsContact O-N 3.16Å; E135-K138 WeakPolarHBondContact O-CB 3.48Å; E135-K138 PolarHBondContact O-N 3.14Å; E135-V139 PolarHBondContact O-N 3.08Å; E135-V139 VanDerWaalsContact O-N 3.12Å |
| 136 | L | 95.3 | Very high | 91.1 | Very high | 82 Ų | 82 | 109.2 Ų | 109.2 | 43% | 0.429 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -52.3 | -43.1 | -171.9 | -178.1 | 59.9 | 0 | 0 | 0 | 113.7 | A132 I133 K138 V139 M140 | A132-L136 WeakPolarHBondContact O-CB 3.3Å; A132-L136 PolarHBondContact O-N 2.68Å; I133-L136 HydrophobicContact CD1-CD2 4.36Å; I133-L136 WeakPolarHBondContact O-CB 3.22Å; I133-L136 PolarHBondContact O-N 3.29Å; L136-K138 VanDerWaalsContact C-N 3.28Å; L136-K138 PolarHBondContact O-N 3.24Å; L136-V139 PolarHBondContact O-N 3.46Å; L136-M140 HydrophobicContact CD1-CG 4.12Å; L136-M140 HydrophobicContact CD1-SD 4.48Å; L136-M140 HydrophobicContact CG-CG 4.33Å; L136-M140 VanDerWaalsContact O-CG 3.31Å; L136-M140 WeakPolarHBondContact O-CG 3.36Å; L136-M140 PolarHBondContact O-N 2.95Å |
| 137 | I | 92.7 | Very high | 89 | Confident | 128 Ų | 128 | 108.7 Ų | 108.7 | 66% | 0.656 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.5 | -40.5 | 179.7 | -64.7 | 173.4 | 0 | 0 | 0 | 111 | E135 N141 | E135-I137 VanDerWaalsContact C-N 3.31Å; E135-I137 PolarHBondContact O-N 3.33Å; E135-I137 VanDerWaalsContact O-N 3.16Å; I137-N141 VanDerWaalsContact O-CG 3.24Å; I137-N141 PolarHBondContact O-N 2.98Å; I137-N141 VanDerWaalsContact O-N 3.12Å; I137-N141 PolarHBondContact O-ND2 3.43Å; I137-N141 VanDerWaalsContact O-ND2 3.14Å |
| 138 | K | 93.4 | Very high | 86.8 | Confident | 156 Ų | 156 | 111.1 Ų | 111.1 | 68% | 0.678 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.1 | -43.2 | 178.5 | -64.8 | 178 | -179.3 | 174.4 | 0 | 110.8 | E135 L136 M140 N141 D142 | E135-K138 WeakPolarHBondContact O-CB 3.48Å; E135-K138 PolarHBondContact O-N 3.14Å; L136-K138 VanDerWaalsContact C-N 3.28Å; L136-K138 PolarHBondContact O-N 3.24Å; K138-M140 PolarHBondContact O-N 3.02Å; K138-N141 PolarHBondContact O-N 3.25Å; K138-D142 PolarHBondContact O-N 3.12Å; K138-D142 VanDerWaalsContact O-N 3.08Å |
| 139 | V | 94.2 | Very high | 84.7 | Confident | 72 Ų | 72 | 115.9 Ų | 115.9 | 44% | 0.436 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -58.9 | -47.3 | 176.2 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | E135 L136 N141 D142 L143 | E135-V139 PolarHBondContact O-N 3.08Å; E135-V139 VanDerWaalsContact O-N 3.12Å; L136-V139 PolarHBondContact O-N 3.46Å; V139-N141 VanDerWaalsContact C-N 3.3Å; V139-N141 PolarHBondContact O-N 3.33Å; V139-D142 PolarHBondContact O-N 2.93Å; V139-D142 VanDerWaalsContact O-N 3.17Å; V139-L143 HydrophobicContact CG1-CD1 4.11Å; V139-L143 HydrophobicContact CG1-CG 4.35Å; V139-L143 WeakPolarHBondContact O-CG 3.13Å; V139-L143 PolarHBondContact O-N 3.46Å |
| 140 | M | 93.1 | Very high | 82.6 | Confident | 109 Ų | 109 | 123 Ų | 123 | 54% | 0.537 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -61.2 | -37.7 | 178.4 | -70 | -57.3 | -63.1 | 0 | 0 | 112.8 | L136 K138 L143 S144 | L136-M140 HydrophobicContact CD1-CG 4.12Å; L136-M140 HydrophobicContact CD1-SD 4.48Å; L136-M140 HydrophobicContact CG-CG 4.33Å; L136-M140 VanDerWaalsContact O-CG 3.31Å; L136-M140 WeakPolarHBondContact O-CG 3.36Å; L136-M140 PolarHBondContact O-N 2.95Å; K138-M140 PolarHBondContact O-N 3.02Å; M140-L143 PolarHBondContact O-N 3.48Å; M140-L143 HydrophobicContact SD-CD1 4.13Å; M140-S144 PolarHBondContact O-N 2.8Å |
| 141 | N | 90.4 | Very high | 80.8 | Confident | 100 Ų | 100 | 125.6 Ų | 125.6 | 54% | 0.535 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -66.9 | -37.7 | 176.4 | -71.1 | -29.7 | 0 | 0 | 0 | 112.3 | I137 K138 V139 S144 | I137-N141 VanDerWaalsContact O-CG 3.24Å; I137-N141 PolarHBondContact O-N 2.98Å; I137-N141 VanDerWaalsContact O-N 3.12Å; I137-N141 PolarHBondContact O-ND2 3.43Å; I137-N141 VanDerWaalsContact O-ND2 3.14Å; K138-N141 PolarHBondContact O-N 3.25Å; V139-N141 VanDerWaalsContact C-N 3.3Å; V139-N141 PolarHBondContact O-N 3.33Å; N141-S144 PolarHBondContact O-N 2.74Å; N141-S144 PolarHBondContact O-OG 3.4Å |
| 142 | D | 88.8 | Confident | 79 | Confident | 124 Ų | 124 | 130.1 Ų | 130.1 | 66% | 0.663 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -75.4 | -29.5 | 177.8 | -95.1 | 18.1 | 0 | 0 | 0 | 113.1 | K138 V139 S144 | K138-D142 PolarHBondContact O-N 3.12Å; K138-D142 VanDerWaalsContact O-N 3.08Å; V139-D142 PolarHBondContact O-N 2.93Å; V139-D142 VanDerWaalsContact O-N 3.17Å; D142-S144 VanDerWaalsContact C-N 3.28Å; D142-S144 PolarHBondContact O-N 2.84Å |
| 143 | L | 85.9 | Confident | 77.3 | Confident | 127 Ų | 127 | 136.8 Ų | 136.8 | 67% | 0.665 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -67.5 | -29.1 | 172.7 | -72.2 | 174.4 | 0 | 0 | 0 | 112.6 | V139 M140 | V139-L143 HydrophobicContact CG1-CD1 4.11Å; V139-L143 HydrophobicContact CG1-CG 4.35Å; V139-L143 WeakPolarHBondContact O-CG 3.13Å; V139-L143 PolarHBondContact O-N 3.46Å; M140-L143 PolarHBondContact O-N 3.48Å; M140-L143 HydrophobicContact SD-CD1 4.13Å |
| 144 | S | 78 | Confident | 75.5 | Confident | 62 Ų | 62 | 142.1 Ų | 142.1 | 43% | 0.434 | 68% | 0.678 | S | S | . | * | S | Bend | trans | -67 | 129 | 174.1 | 77.2 | 0 | 0 | 0 | 0 | 108.7 | M140 N141 D142 R146 | M140-S144 PolarHBondContact O-N 2.8Å; N141-S144 PolarHBondContact O-N 2.74Å; N141-S144 PolarHBondContact O-OG 3.4Å; D142-S144 VanDerWaalsContact C-N 3.28Å; D142-S144 PolarHBondContact O-N 2.84Å; S144-R146 PolarHBondContact O-N 3.38Å |
| 145 | P | 68.6 | Low | 73.8 | Confident | 120 Ų | 120 | 140.5 Ų | 140.5 | 78% | 0.779 | 68% | 0.678 | S | S | * | * | trans | -57.3 | 111.6 | 174.4 | 21.6 | -29.9 | 0 | 0 | 0 | 106.5 | S147 | P145-S147 VanDerWaalsContact C-N 3.35Å; P145-S147 PolarHBondContact O-N 3.31Å | ||
| 146 | R | 59.6 | Low | 72 | Confident | 200 Ų | 200 | 144 Ų | 144 | 76% | 0.755 | 69% | 0.693 | S | S | * | * | trans | -52.5 | 112.2 | 170.4 | -89.9 | -172.2 | -179.1 | -169 | 3.3 | 104.5 | S144 N148 | S144-R146 PolarHBondContact O-N 3.38Å; R146-N148 VanDerWaalsContact C-N 3.26Å; R146-N148 PolarHBondContact O-N 2.7Å | ||
| 147 | S | 53.9 | Low | 70 | Confident | 83 Ų | 83 | 143.8 Ų | 143.8 | 58% | 0.58 | 70% | 0.699 | S | S | * | * | trans | -58.1 | 103 | 178.4 | 64.1 | 0 | 0 | 0 | 0 | 105.3 | P145 L149 | P145-S147 VanDerWaalsContact C-N 3.35Å; P145-S147 PolarHBondContact O-N 3.31Å; S147-L149 PolarHBondContact O-N 2.83Å | ||
| 148 | N | 50.4 | Low | 68.2 | Low | 160 Ų | 160 | 143.4 Ų | 143.4 | 86% | 0.856 | 70% | 0.702 | S | S | * | * | trans | -66.6 | 20.8 | 165.9 | -71.4 | -32.8 | 0 | 0 | 0 | 110.2 | R146 R150 | R146-N148 VanDerWaalsContact C-N 3.26Å; R146-N148 PolarHBondContact O-N 2.7Å; N148-R150 PolarHBondContact O-N 2.72Å | ||
| 149 | L | 52.9 | Low | 66.6 | Low | 135 Ų | 135 | 144.4 Ų | 144.4 | 71% | 0.707 | 71% | 0.707 | S | S | * | * | trans | -54.2 | 78.1 | 147 | -63 | 177.1 | 0 | 0 | 0 | 107.4 | S147 K151 | S147-L149 PolarHBondContact O-N 2.83Å; L149-K151 PolarHBondContact O-N 2.7Å | ||
| 150 | R | 54.5 | Low | 64.6 | Low | 232 Ų | 232 | 146 Ų | 146 | 88% | 0.875 | 72% | 0.719 | S | S | * | * | trans | -37.5 | 96.8 | 155.2 | -167.8 | -179.5 | -165.7 | -173.2 | 5 | 104.4 | N148 R152 | N148-R150 PolarHBondContact O-N 2.72Å; R150-R152 PolarHBondContact O-N 2.64Å | ||
| 151 | K | 58.4 | Low | 62.9 | Low | 202 Ų | 202 | 144.3 Ų | 144.3 | 88% | 0.878 | 73% | 0.729 | S | S | * | * | trans | -56.7 | 95.9 | -179.5 | -78.6 | -176 | 178.7 | 178.2 | 0 | 104.4 | L149 K153 | L149-K151 PolarHBondContact O-N 2.7Å; K151-K153 PolarHBondContact O-N 2.91Å | ||
| 152 | R | 59.4 | Low | 61.1 | Low | 230 Ų | 230 | 151.5 Ų | 151.5 | 87% | 0.868 | 75% | 0.749 | S | S | * | * | trans | -61.1 | 112.6 | -172.7 | -177.8 | 175.4 | 166.2 | 161.7 | -3.8 | 103.9 | R150 R154 | R150-R152 PolarHBondContact O-N 2.64Å; R152-R154 PolarHBondContact O-N 2.98Å | ||
| 153 | K | 62.5 | Low | 59.6 | Low | 195 Ų | 195 | 157.4 Ų | 157.4 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | trans | -45.1 | 116.6 | 177 | -132.3 | 178.6 | -178.2 | -178.4 | 0 | 105.8 | K151 S155 | K151-K153 PolarHBondContact O-N 2.91Å; K153-S155 PolarHBondContact O-N 2.93Å | ||
| 154 | R | 58.4 | Low | 58.1 | Low | 232 Ų | 232 | 156.2 Ų | 156.2 | 88% | 0.875 | 77% | 0.77 | S | S | * | * | trans | -56 | 109.1 | 175.7 | -138.7 | 178.6 | -167.9 | 173.5 | 2.7 | 104.8 | R152 H156 | R152-R154 PolarHBondContact O-N 2.98Å; R154-H156 PolarHBondContact O-N 2.89Å | ||
| 155 | S | 61.7 | Low | 57 | Low | 99 Ų | 99 | 159 Ų | 159 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | trans | -65.5 | 105 | 177.5 | 53.4 | 0 | 0 | 0 | 0 | 106 | K153 S157 | K153-S155 PolarHBondContact O-N 2.93Å; S155-S157 PolarHBondContact O-N 2.86Å | ||
| 156 | H | 59.4 | Low | 56.1 | Low | 176 Ų | 176 | 166.2 Ų | 166.2 | 82% | 0.815 | 81% | 0.809 | S | S | * | * | trans | -64 | 91.9 | 161.6 | -96.3 | -83.5 | 0 | 0 | 0 | 106.2 | R154 V158 | R154-H156 PolarHBondContact O-N 2.89Å; H156-V158 PolarHBondContact O-N 2.93Å | ||
| 157 | S | 54.6 | Low | 56 | Low | 77 Ų | 77 | 164.5 Ų | 164.5 | 54% | 0.538 | 81% | 0.811 | S | S | . | * | trans | -66.2 | 96.8 | 158.4 | 53.6 | 0 | 0 | 0 | 0 | 105.8 | S155 F159 | S155-S157 PolarHBondContact O-N 2.86Å; S157-F159 PolarHBondContact O-N 2.98Å | ||
| 158 | V | 54.8 | Low | 56.1 | Low | 121 Ų | 121 | 168.8 Ų | 168.8 | 73% | 0.733 | 82% | 0.824 | S | S | * | * | trans | -65.7 | 90.8 | 158.8 | 178.7 | 0 | 0 | 0 | 0 | 104.5 | H156 P160 | H156-V158 PolarHBondContact O-N 2.93Å; V158-P160 WeakPolarHBondContact O-CD 3.2Å | ||
| 159 | F | 58.3 | Low | 56.4 | Low | 177 Ų | 177 | 169.3 Ų | 169.3 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | trans | -74.9 | 108.8 | 157.6 | -78.7 | -81.8 | 0 | 0 | 0 | 105.5 | S157 G161 | S157-F159 PolarHBondContact O-N 2.98Å; F159-G161 PolarHBondContact O-N 3.21Å | ||
| 160 | P | 52.3 | Low | 56.6 | Low | 106 Ų | 106 | 171.3 Ų | 171.3 | 69% | 0.688 | 83% | 0.829 | S | S | * | * | trans | -70.8 | 116.5 | 166.7 | -2.6 | 22.4 | 0 | 0 | 0 | 105.5 | V158 R162 | V158-P160 WeakPolarHBondContact O-CD 3.2Å; P160-R162 PolarHBondContact O-N 3.06Å | ||
| 161 | G | 58 | Low | 56.7 | Low | 73 Ų | 73 | 167.5 Ų | 167.5 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | trans | -53.1 | 113.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | F159 R163 | F159-G161 PolarHBondContact O-N 3.21Å; G161-R163 PolarHBondContact O-N 3.35Å | ||
| 162 | R | 52.5 | Low | 56.6 | Low | 251 Ų | 251 | 165.2 Ų | 165.2 | 95% | 0.947 | 82% | 0.822 | S | S | * | * | trans | -64.1 | 105.6 | 163.7 | -79.4 | -173.2 | 179.2 | -171.4 | 0.1 | 106.9 | P160 A164 | P160-R162 PolarHBondContact O-N 3.06Å; R162-A164 PolarHBondContact O-N 3.01Å | ||
| 163 | R | 57.6 | Low | 56.4 | Low | 247 Ų | 247 | 160.6 Ų | 160.6 | 93% | 0.932 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 119.2 | 160.8 | -72.5 | -174.7 | -170.2 | 176.1 | 3.2 | 107.2 | G161 S165 | G161-R163 PolarHBondContact O-N 3.35Å; R163-S165 PolarHBondContact O-N 3.48Å |
| 164 | A | 54.4 | Low | 55.9 | Low | 102 Ų | 102 | 157.9 Ų | 157.9 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 123.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | R162 | R162-A164 PolarHBondContact O-N 3.01Š|
| 165 | S | 55.4 | Low | 55.7 | Low | 120 Ų | 120 | 151.8 Ų | 151.8 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 136.9 | 162.3 | -173.3 | 0 | 0 | 0 | 0 | 108.3 | R163 | R163-S165 PolarHBondContact O-N 3.48Š|
| 166 | K | 49.8 | Very low | 55.2 | Low | 272 Ų | 272 | 156.5 Ų | 156.5 | 100% | 1.183 | 82% | 0.823 | S | S | * | * | trans | -60.6 | 0 | 162.1 | -83.2 | 178.7 | 172.5 | 179.7 | 0 | 110.7 |
Retrieved 166 of 166 residues in 124 ms
(Link to these results)