| 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 | 44.5 | Very low | 51.9 | Low | 231 Ų | 231 | 105.5 Ų | 105.5 | 100% | 1.138 | 57% | 0.569 | S | S | * | * | 0 | 114.2 | 0 | -70.3 | 175.6 | 80.7 | 0 | 0 | 105 | |||||
| 2 | P | 44.1 | Very low | 52.4 | Low | 89 Ų | 89 | 105.1 Ų | 105.1 | 58% | 0.578 | 56% | 0.563 | S | S | * | * | trans | -58.1 | 147.8 | 168.3 | 25.4 | -30.4 | 0 | 0 | 0 | 109 | E6 | P2-E6 WeakPolarHBondContact CA-OE2 3.48Å; P2-E6 HydrophobicContact CB-CB 4.24Å; P2-E6 WeakPolarHBondContact CB-OE2 3.22Å | ||
| 3 | A | 50.1 | Low | 53.1 | Low | 60 Ų | 60 | 106.4 Ų | 106.4 | 50% | 0.496 | 56% | 0.563 | S | S | . | * | trans | -70.4 | 148.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | G5 E6 | A3-G5 PolarHBondContact O-N 2.97Å; A3-E6 PolarHBondContact N-OE2 2.92Å; A3-E6 VanDerWaalsContact N-OE2 3.13Å; A3-E6 WeakPolarHBondContact O-CB 2.96Å; A3-E6 PolarHBondContact O-N 3.35Å | ||
| 4 | E | 51.7 | Low | 53.3 | Low | 171 Ų | 171 | 106.9 Ų | 106.9 | 80% | 0.799 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -51.7 | -20 | 176.1 | -70.3 | 175.1 | 165.6 | 0 | 0 | 113.5 | N8 | E4-N8 PolarHBondContact O-ND2 3.5Å |
| 5 | G | 51.2 | Low | 53.2 | Low | 44 Ų | 44 | 101.7 Ų | 101.7 | 45% | 0.454 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -81.6 | -24.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | A3 N9 | A3-G5 PolarHBondContact O-N 2.97Å; G5-N9 PolarHBondContact O-N 3.35Å; G5-N9 PolarHBondContact O-ND2 3.18Å |
| 6 | E | 52 | Low | 53.5 | Low | 108 Ų | 108 | 103.9 Ų | 103.9 | 51% | 0.505 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -75.4 | -42 | 175.8 | -72.1 | 174.5 | 157.5 | 0 | 0 | 110.7 | P2 A3 N8 N9 E10 | P2-E6 WeakPolarHBondContact CA-OE2 3.48Å; P2-E6 HydrophobicContact CB-CB 4.24Å; P2-E6 WeakPolarHBondContact CB-OE2 3.22Å; A3-E6 PolarHBondContact N-OE2 2.92Å; A3-E6 VanDerWaalsContact N-OE2 3.13Å; A3-E6 WeakPolarHBondContact O-CB 2.96Å; A3-E6 PolarHBondContact O-N 3.35Å; E6-N8 PolarHBondContact O-N 3.45Å; E6-N9 WeakPolarHBondContact O-CB 3.25Å; E6-N9 PolarHBondContact O-N 2.88Å; E6-N9 VanDerWaalsContact O-N 3.08Å; E6-E10 PolarHBondContact O-N 3.34Å; E6-E10 VanDerWaalsContact O-N 3.12Å |
| 7 | E | 52.1 | Low | 53.9 | Low | 98 Ų | 98 | 105.9 Ų | 105.9 | 46% | 0.458 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.8 | -38.5 | 179.2 | -161.1 | 169.9 | -163.6 | 0 | 0 | 111.8 | N9 E10 I11 | E7-N9 VanDerWaalsContact C-N 3.32Å; E7-N9 PolarHBondContact O-N 3.48Å; E7-E10 PolarHBondContact O-N 3.23Å; E7-I11 WeakPolarHBondContact O-CD1 3.39Å; E7-I11 PolarHBondContact O-N 3.36Å |
| 8 | N | 53.7 | Low | 54.2 | Low | 97 Ų | 97 | 102.6 Ų | 102.6 | 52% | 0.519 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.6 | -34.9 | 172 | -84.6 | -27.9 | 0 | 0 | 0 | 112.9 | E4 E6 M12 | E4-N8 PolarHBondContact O-ND2 3.5Å; E6-N8 PolarHBondContact O-N 3.45Å; N8-M12 VanDerWaalsContact O-CG 3.25Å; N8-M12 WeakPolarHBondContact O-CG 3.38Å; N8-M12 PolarHBondContact O-N 3.1Å; N8-M12 VanDerWaalsContact O-N 3.1Å |
| 9 | N | 58.1 | Low | 54.4 | Low | 105 Ų | 105 | 106.5 Ų | 106.5 | 56% | 0.561 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -69.7 | -42.9 | 178.7 | -76 | -13.8 | 0 | 0 | 0 | 111.4 | G5 E6 E7 I11 M12 E13 | G5-N9 PolarHBondContact O-N 3.35Å; G5-N9 PolarHBondContact O-ND2 3.18Å; E6-N9 WeakPolarHBondContact O-CB 3.25Å; E6-N9 PolarHBondContact O-N 2.88Å; E6-N9 VanDerWaalsContact O-N 3.08Å; E7-N9 VanDerWaalsContact C-N 3.32Å; E7-N9 PolarHBondContact O-N 3.48Å; N9-I11 VanDerWaalsContact C-N 3.26Å; N9-I11 PolarHBondContact O-N 3.39Å; N9-M12 PolarHBondContact O-N 2.92Å; N9-E13 WeakPolarHBondContact O-CG 3.18Å; N9-E13 PolarHBondContact O-N 3.26Å |
| 10 | E | 59.6 | Low | 54.4 | Low | 131 Ų | 131 | 104.4 Ų | 104.4 | 61% | 0.612 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -59.8 | -37.3 | 178.4 | -71 | -179.7 | -175.7 | 0 | 0 | 112 | E6 E7 E13 F14 | E6-E10 PolarHBondContact O-N 3.34Å; E6-E10 VanDerWaalsContact O-N 3.12Å; E7-E10 PolarHBondContact O-N 3.23Å; E10-E13 PolarHBondContact O-N 3.24Å; E10-F14 WeakPolarHBondContact O-CB 2.74Å; E10-F14 PolarHBondContact O-N 3.35Å |
| 11 | I | 53.7 | Low | 54.6 | Low | 27 Ų | 27 | 105.5 Ų | 105.5 | 14% | 0.138 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -73.5 | -39 | 177.5 | -68.5 | 155.5 | 0 | 0 | 0 | 111.6 | E7 N9 E13 F14 I15 V69 | E7-I11 WeakPolarHBondContact O-CD1 3.39Å; E7-I11 PolarHBondContact O-N 3.36Å; N9-I11 VanDerWaalsContact C-N 3.26Å; N9-I11 PolarHBondContact O-N 3.39Å; I11-E13 VanDerWaalsContact C-N 3.29Å; I11-E13 PolarHBondContact O-N 2.98Å; I11-F14 PolarHBondContact O-N 3.35Å; I11-I15 HydrophobicContact CG2-CD1 3.68Å; I11-I15 HydrophobicContact CG2-CG1 4.23Å; I11-I15 WeakPolarHBondContact O-CB 3.47Å; I11-I15 WeakPolarHBondContact O-CG1 3.38Å; I11-I15 PolarHBondContact O-N 3.29Å; I11-V69 HydrophobicContact CD1-CB 3.2Å; I11-V69 HydrophobicContact CD1-CG1 2.96Å; I11-V69 HydrophobicContact CD1-CG2 3.88Å; I11-V69 HydrophobicContact CG1-CB 4.4Å; I11-V69 HydrophobicContact CG1-CG1 4.42Å |
| 12 | M | 57.5 | Low | 55.1 | Low | 100 Ų | 100 | 98.6 Ų | 98.6 | 49% | 0.493 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.7 | -37 | 174.7 | -70.9 | -63.6 | -66.7 | 0 | 0 | 111.2 | N8 N9 Q16 | N8-M12 VanDerWaalsContact O-CG 3.25Å; N8-M12 WeakPolarHBondContact O-CG 3.38Å; N8-M12 PolarHBondContact O-N 3.1Å; N8-M12 VanDerWaalsContact O-N 3.1Å; N9-M12 PolarHBondContact O-N 2.92Å; M12-Q16 WeakPolarHBondContact O-CB 3.35Å; M12-Q16 WeakPolarHBondContact O-CG 3.28Å; M12-Q16 PolarHBondContact O-N 3.35Å |
| 13 | E | 61.8 | Low | 55.7 | Low | 122 Ų | 122 | 100.2 Ų | 100.2 | 57% | 0.57 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63 | -47.9 | 170.6 | -75.3 | -178 | 176.1 | 0 | 0 | 111.1 | N9 E10 I11 I15 Q16 D17 | N9-E13 WeakPolarHBondContact O-CG 3.18Å; N9-E13 PolarHBondContact O-N 3.26Å; E10-E13 PolarHBondContact O-N 3.24Å; I11-E13 VanDerWaalsContact C-N 3.29Å; I11-E13 PolarHBondContact O-N 2.98Å; E13-I15 VanDerWaalsContact C-N 3.33Å; E13-I15 PolarHBondContact O-N 3.03Å; E13-Q16 PolarHBondContact O-N 2.74Å; E13-D17 WeakPolarHBondContact O-CB 3.49Å; E13-D17 PolarHBondContact O-N 2.88Å |
| 14 | F | 56.4 | Low | 55.7 | Low | 113 Ų | 113 | 100.9 Ų | 100.9 | 50% | 0.496 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.9 | -41.9 | 175.9 | -179.5 | -94.6 | 0 | 0 | 0 | 112.9 | E10 I11 D17 A18 | E10-F14 WeakPolarHBondContact O-CB 2.74Å; E10-F14 PolarHBondContact O-N 3.35Å; I11-F14 PolarHBondContact O-N 3.35Å; F14-D17 PolarHBondContact O-N 3.17Å; F14-A18 WeakPolarHBondContact O-CB 3.11Å; F14-A18 PolarHBondContact O-N 3.26Å |
| 15 | I | 51.7 | Low | 55.8 | Low | 29 Ų | 29 | 95.3 Ų | 95.3 | 15% | 0.149 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -67.4 | -39.9 | 177.5 | -72.2 | 171.1 | 0 | 0 | 0 | 111 | I11 E13 A18 I25 | I11-I15 HydrophobicContact CG2-CD1 3.68Å; I11-I15 HydrophobicContact CG2-CG1 4.23Å; I11-I15 WeakPolarHBondContact O-CB 3.47Å; I11-I15 WeakPolarHBondContact O-CG1 3.38Å; I11-I15 PolarHBondContact O-N 3.29Å; E13-I15 VanDerWaalsContact C-N 3.33Å; E13-I15 PolarHBondContact O-N 3.03Å; I15-A18 PolarHBondContact O-N 2.97Å; I15-I25 HydrophobicContact CD1-CD1 4.3Å; I15-I25 HydrophobicContact CG2-CD1 3.44Å; I15-I25 VanDerWaalsContact CG2-CD1 3.44Å; I15-I25 HydrophobicContact CG2-CG1 4.08Å |
| 16 | Q | 57.5 | Low | 55.9 | Low | 137 Ų | 137 | 97.3 Ų | 97.3 | 64% | 0.64 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.8 | -42.9 | 175.7 | -77.2 | 174.4 | 15 | 0 | 0 | 111.6 | M12 E13 A18 E19 | M12-Q16 WeakPolarHBondContact O-CB 3.35Å; M12-Q16 WeakPolarHBondContact O-CG 3.28Å; M12-Q16 PolarHBondContact O-N 3.35Å; E13-Q16 PolarHBondContact O-N 2.74Å; Q16-A18 PolarHBondContact O-N 3.38Å; Q16-E19 PolarHBondContact O-N 2.85Å; Q16-E19 VanDerWaalsContact O-N 3.13Å |
| 17 | D | 60.2 | Low | 56 | Low | 139 Ų | 139 | 100.3 Ų | 100.3 | 74% | 0.743 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.8 | -29.4 | 175.7 | -77.1 | -10.3 | 0 | 0 | 0 | 112.2 | E13 F14 E19 | E13-D17 WeakPolarHBondContact O-CB 3.49Å; E13-D17 PolarHBondContact O-N 2.88Å; F14-D17 PolarHBondContact O-N 3.17Å; D17-E19 PolarHBondContact O-N 3.31Å |
| 18 | A | 59 | Low | 56 | Low | 46 Ų | 46 | 99.3 Ų | 99.3 | 38% | 0.38 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -1.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | F14 I15 Q16 L20 | F14-A18 WeakPolarHBondContact O-CB 3.11Å; F14-A18 PolarHBondContact O-N 3.26Å; I15-A18 PolarHBondContact O-N 2.97Å; Q16-A18 PolarHBondContact O-N 3.38Å; A18-L20 HydrophobicContact CB-CD1 3.98Å; A18-L20 HydrophobicContact CB-CG 3.91Å; A18-L20 PolarHBondContact O-N 3.13Å; A18-L20 VanDerWaalsContact O-N 3.09Å |
| 19 | E | 58.4 | Low | 56 | Low | 176 Ų | 176 | 103.4 Ų | 103.4 | 82% | 0.822 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 27.9 | -175.9 | -60.4 | -175.7 | 168.5 | 0 | 0 | 113.2 | Q16 D17 E21 | Q16-E19 PolarHBondContact O-N 2.85Å; Q16-E19 VanDerWaalsContact O-N 3.13Å; D17-E19 PolarHBondContact O-N 3.31Å; E19-E21 PolarHBondContact O-N 2.75Å |
| 20 | L | 54.6 | Low | 56.1 | Low | 64 Ų | 64 | 104.4 Ų | 104.4 | 34% | 0.335 | 51% | 0.508 | S | S | . | . | trans | -80.3 | 121.6 | -178.9 | -69.4 | 172.8 | 0 | 0 | 0 | 110 | A18 E24 | A18-L20 HydrophobicContact CB-CD1 3.98Å; A18-L20 HydrophobicContact CB-CG 3.91Å; A18-L20 PolarHBondContact O-N 3.13Å; A18-L20 VanDerWaalsContact O-N 3.09Å; L20-E24 WeakPolarHBondContact CA-OE2 3.32Å; L20-E24 HydrophobicContact CD2-CB 4.29Å; L20-E24 WeakPolarHBondContact CD2-OE2 3.43Å | ||
| 21 | E | 58.3 | Low | 56.2 | Low | 129 Ų | 129 | 101.8 Ų | 101.8 | 60% | 0.603 | 50% | 0.497 | S | S | * | . | trans | -63.7 | 145.8 | 172.8 | -73.1 | -71.3 | 159.2 | 0 | 0 | 109.3 | E19 D23 E24 I25 | E19-E21 PolarHBondContact O-N 2.75Å; E21-D23 PolarHBondContact O-N 2.94Å; E21-E24 HydrophobicContact CB-CG 4.18Å; E21-E24 PolarHBondContact N-OE2 3.44Å; E21-E24 WeakPolarHBondContact O-CA 3.18Å; E21-E24 VanDerWaalsContact O-CB 3.31Å; E21-E24 WeakPolarHBondContact O-CB 3.39Å; E21-E24 PolarHBondContact O-N 3.4Å; E21-I25 PolarHBondContact O-N 3.12Å | ||
| 22 | P | 54.9 | Low | 57.4 | Low | 85 Ų | 85 | 104.2 Ų | 104.2 | 55% | 0.552 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -51.9 | -33 | 179.2 | -28 | 34.7 | 0 | 0 | 0 | 113.7 | E24 I25 V26 | P22-E24 VanDerWaalsContact C-N 3.28Å; P22-E24 PolarHBondContact O-N 3Å; P22-I25 WeakPolarHBondContact O-CB 3.47Å; P22-I25 PolarHBondContact O-N 3.2Å; P22-V26 PolarHBondContact O-N 3.34Å |
| 23 | D | 56.2 | Low | 58.4 | Low | 123 Ų | 123 | 104.1 Ų | 104.1 | 66% | 0.658 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.1 | -26.9 | 176.3 | -71.5 | -19.9 | 0 | 0 | 0 | 113.1 | E21 R27 | E21-D23 PolarHBondContact O-N 2.94Å; D23-R27 WeakPolarHBondContact O-CG 3.19Å; D23-R27 PolarHBondContact O-N 3.03Å |
| 24 | E | 50.9 | Low | 59.5 | Low | 75 Ų | 75 | 108.3 Ų | 108.3 | 35% | 0.35 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -74.9 | -36.7 | 175.7 | -62.3 | -178.2 | 132.5 | 0 | 0 | 111.2 | L20 E21 P22 V26 R27 F28 | L20-E24 WeakPolarHBondContact CA-OE2 3.32Å; L20-E24 HydrophobicContact CD2-CB 4.29Å; L20-E24 WeakPolarHBondContact CD2-OE2 3.43Å; E21-E24 HydrophobicContact CB-CG 4.18Å; E21-E24 PolarHBondContact N-OE2 3.44Å; E21-E24 WeakPolarHBondContact O-CA 3.18Å; E21-E24 VanDerWaalsContact O-CB 3.31Å; E21-E24 WeakPolarHBondContact O-CB 3.39Å; E21-E24 PolarHBondContact O-N 3.4Å; P22-E24 VanDerWaalsContact C-N 3.28Å; P22-E24 PolarHBondContact O-N 3Å; E24-V26 VanDerWaalsContact C-N 3.28Å; E24-V26 PolarHBondContact O-N 3.22Å; E24-R27 WeakPolarHBondContact O-CB 3.43Å; E24-R27 PolarHBondContact O-N 3.37Å; E24-F28 VanDerWaalsContact O-CD2 3.29Å; E24-F28 WeakPolarHBondContact O-CD2 3.33Å; E24-F28 PolarHBondContact O-N 3.08Å |
| 25 | I | 53 | Low | 61 | Low | 53 Ų | 53 | 107.2 Ų | 107.2 | 27% | 0.272 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.8 | -41.7 | 172.3 | -55.6 | 166.4 | 0 | 0 | 0 | 110.3 | I15 E21 P22 R27 F28 | I15-I25 HydrophobicContact CD1-CD1 4.3Å; I15-I25 HydrophobicContact CG2-CD1 3.44Å; I15-I25 VanDerWaalsContact CG2-CD1 3.44Å; I15-I25 HydrophobicContact CG2-CG1 4.08Å; E21-I25 PolarHBondContact O-N 3.12Å; P22-I25 WeakPolarHBondContact O-CB 3.47Å; P22-I25 PolarHBondContact O-N 3.2Å; I25-R27 PolarHBondContact O-N 3.49Å; I25-F28 PolarHBondContact O-N 3.41Å; I25-F28 VanDerWaalsContact O-N 3.15Å |
| 26 | V | 54.6 | Low | 62.8 | Low | 87 Ų | 87 | 106.4 Ų | 106.4 | 53% | 0.527 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61 | -33.2 | 176.4 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | P22 E24 F28 R29 | P22-V26 PolarHBondContact O-N 3.34Å; E24-V26 VanDerWaalsContact C-N 3.28Å; E24-V26 PolarHBondContact O-N 3.22Å; V26-F28 VanDerWaalsContact C-N 3.29Å; V26-F28 PolarHBondContact O-N 2.81Å; V26-R29 WeakPolarHBondContact O-CB 3.44Å; V26-R29 PolarHBondContact O-N 3.27Å |
| 27 | R | 53.2 | Low | 64.6 | Low | 170 Ų | 170 | 101.9 Ų | 101.9 | 64% | 0.642 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.3 | -31.2 | 177.8 | -66 | 179.9 | -163.9 | -163.6 | 7.2 | 112.9 | D23 E24 I25 R29 I30 | D23-R27 WeakPolarHBondContact O-CG 3.19Å; D23-R27 PolarHBondContact O-N 3.03Å; E24-R27 WeakPolarHBondContact O-CB 3.43Å; E24-R27 PolarHBondContact O-N 3.37Å; I25-R27 PolarHBondContact O-N 3.49Å; R27-R29 VanDerWaalsContact C-N 3.32Å; R27-R29 PolarHBondContact O-N 3.49Å; R27-I30 HydrophobicContact CB-CD1 4.32Å; R27-I30 HydrophobicContact CG-CD1 4.4Å; R27-I30 VanDerWaalsContact O-CB 3.29Å; R27-I30 WeakPolarHBondContact O-CB 3.46Å; R27-I30 WeakPolarHBondContact O-CG1 3.44Å; R27-I30 PolarHBondContact O-N 3.25Å |
| 28 | F | 51.8 | Low | 66.2 | Low | 77 Ų | 77 | 100.3 Ų | 100.3 | 34% | 0.338 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69 | -30.7 | 176.2 | -73.7 | -78.5 | 0 | 0 | 0 | 112.9 | E24 I25 V26 I30 L31 L72 | E24-F28 VanDerWaalsContact O-CD2 3.29Å; E24-F28 WeakPolarHBondContact O-CD2 3.33Å; E24-F28 PolarHBondContact O-N 3.08Å; I25-F28 PolarHBondContact O-N 3.41Å; I25-F28 VanDerWaalsContact O-N 3.15Å; V26-F28 VanDerWaalsContact C-N 3.29Å; V26-F28 PolarHBondContact O-N 2.81Å; F28-I30 PolarHBondContact O-N 3.01Å; F28-I30 VanDerWaalsContact O-N 3.15Å; F28-L31 PolarHBondContact O-N 2.91Å; F28-L72 HydrophobicContact CB-CD1 3.75Å; F28-L72 HydrophobicContact CB-CD2 4.06Å; F28-L72 HydrophobicContact CG-CD1 4.39Å |
| 29 | R | 55.3 | Low | 67.8 | Low | 183 Ų | 183 | 100.5 Ų | 100.5 | 69% | 0.691 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -10.9 | 173.7 | -66.2 | -174.7 | 172.6 | -167.9 | -3.3 | 113.8 | V26 R27 L72 | V26-R29 WeakPolarHBondContact O-CB 3.44Å; V26-R29 PolarHBondContact O-N 3.27Å; R27-R29 VanDerWaalsContact C-N 3.32Å; R27-R29 PolarHBondContact O-N 3.49Å; R29-L72 HydrophobicContact CG-CD2 4.16Å |
| 30 | I | 60.1 | Low | 69.5 | Low | 127 Ų | 127 | 92.4 Ų | 92.4 | 65% | 0.651 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -27.6 | -179 | -57.1 | 175.6 | 0 | 0 | 0 | 111.3 | R27 F28 P32 | R27-I30 HydrophobicContact CB-CD1 4.32Å; R27-I30 HydrophobicContact CG-CD1 4.4Å; R27-I30 VanDerWaalsContact O-CB 3.29Å; R27-I30 WeakPolarHBondContact O-CB 3.46Å; R27-I30 WeakPolarHBondContact O-CG1 3.44Å; R27-I30 PolarHBondContact O-N 3.25Å; F28-I30 PolarHBondContact O-N 3.01Å; F28-I30 VanDerWaalsContact O-N 3.15Å; I30-P32 VanDerWaalsContact O-CD 3.31Å; I30-P32 WeakPolarHBondContact O-CD 3.47Å |
| 31 | L | 61.8 | Low | 71.5 | Confident | 75 Ų | 75 | 90.9 Ų | 90.9 | 39% | 0.393 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -79.1 | 120.9 | 180 | -73.6 | 167.3 | 0 | 0 | 0 | 109.8 | F28 H33 L35 L36 | F28-L31 PolarHBondContact O-N 2.91Å; L31-H33 PolarHBondContact O-N 3.17Å; L31-L35 HydrophobicContact CD2-CB 3.98Å; L31-L35 HydrophobicContact CD2-CD1 4.18Å; L31-L36 HydrophobicContact CB-CB 4.41Å; L31-L36 HydrophobicContact CD1-CD1 4.42Å |
| 32 | P | 78.2 | Confident | 73.2 | Confident | 79 Ų | 79 | 90 Ų | 90 | 51% | 0.513 | 44% | 0.442 | S | S | . | . | trans | -52.8 | 141.2 | 166.2 | -21.9 | 32.8 | 0 | 0 | 0 | 109.7 | I30 R34 L35 L36 | I30-P32 VanDerWaalsContact O-CD 3.31Å; I30-P32 WeakPolarHBondContact O-CD 3.47Å; P32-R34 PolarHBondContact O-N 3.31Å; P32-L35 HydrophobicContact CG-CD1 4.25Å; P32-L35 HydrophobicContact CG-CG 4.4Å; P32-L35 PolarHBondContact O-N 2.89Å; P32-L36 PolarHBondContact O-N 3.48Å | ||
| 33 | H | 79.3 | Confident | 75.2 | Confident | 98 Ų | 98 | 89.8 Ų | 89.8 | 45% | 0.454 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -45.3 | -41.6 | -175 | -66.9 | -172.8 | 0 | 0 | 0 | 113.1 | L31 L35 L36 F37 E71 L72 | L31-H33 PolarHBondContact O-N 3.17Å; H33-L35 PolarHBondContact O-N 2.85Å; H33-L36 PolarHBondContact O-N 2.95Å; H33-F37 PolarHBondContact O-N 3.49Å; H33-E71 PolarHBondContact NE2-O 2.88Å; H33-L72 PolarHBondContact CD2-O 3.15Å |
| 34 | R | 84 | Confident | 77 | Confident | 210 Ų | 210 | 84.4 Ų | 84.4 | 79% | 0.792 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.9 | -37.7 | 178.7 | -70.9 | -172.1 | 172.9 | -167 | -2.1 | 113.8 | P32 I38 | P32-R34 PolarHBondContact O-N 3.31Å; R34-I38 WeakPolarHBondContact O-CD1 3.5Å; R34-I38 VanDerWaalsContact O-CG1 3.23Å; R34-I38 WeakPolarHBondContact O-CG1 3.31Å; R34-I38 PolarHBondContact O-N 3.25Å; R34-I38 VanDerWaalsContact O-N 3.09Å |
| 35 | L | 88.5 | Confident | 79.1 | Confident | 90 Ų | 90 | 88.4 Ų | 88.4 | 47% | 0.471 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -70.2 | -40.1 | 177.3 | -66.4 | -169.2 | 0 | 0 | 0 | 111 | L31 P32 H33 I38 A39 | L31-L35 HydrophobicContact CD2-CB 3.98Å; L31-L35 HydrophobicContact CD2-CD1 4.18Å; P32-L35 HydrophobicContact CG-CD1 4.25Å; P32-L35 HydrophobicContact CG-CG 4.4Å; P32-L35 PolarHBondContact O-N 2.89Å; H33-L35 PolarHBondContact O-N 2.85Å; L35-I38 PolarHBondContact O-N 2.94Å; L35-A39 WeakPolarHBondContact O-CB 3.48Å; L35-A39 PolarHBondContact O-N 3.36Å |
| 36 | L | 90.2 | Very high | 81.1 | Confident | 11 Ų | 11 | 90 Ų | 90 | 6% | 0.058 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 175.6 | -177.8 | 60.7 | 0 | 0 | 0 | 111.3 | L31 P32 H33 I38 A39 C40 Y67 L72 L73 | L31-L36 HydrophobicContact CB-CB 4.41Å; L31-L36 HydrophobicContact CD1-CD1 4.42Å; P32-L36 PolarHBondContact O-N 3.48Å; H33-L36 PolarHBondContact O-N 2.95Å; L36-I38 VanDerWaalsContact C-N 3.33Å; L36-I38 PolarHBondContact O-N 2.82Å; L36-A39 PolarHBondContact O-N 3.4Å; L36-C40 WeakPolarHBondContact O-CB 3.44Å; L36-C40 PolarHBondContact O-N 2.82Å; L36-C40 PolarHBondContact O-SG 2.92Å; L36-Y67 HydrophobicContact CD1-CE2 4.44Å; L36-Y67 HydrophobicContact CD2-CD2 4.35Å; L36-L72 HydrophobicContact CD2-CB 3.42Å; L36-L72 VanDerWaalsContact CD2-CB 3.42Å; L36-L72 HydrophobicContact CD2-CD1 4.37Å; L36-L72 HydrophobicContact CD2-CG 4.47Å; L36-L73 HydrophobicContact CB-CD2 4.2Å; L36-L73 HydrophobicContact CD2-CD2 4.01Å; L36-L73 HydrophobicContact CD2-CG 3.92Å; L36-L73 HydrophobicContact CG-CD2 3.93Å; L36-L73 HydrophobicContact CG-CG 4.28Å |
| 37 | F | 93.3 | Very high | 83 | Confident | 42 Ų | 42 | 87.1 Ų | 87.1 | 18% | 0.184 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -58.8 | -43.3 | 175.4 | 177.1 | -103.5 | 0 | 0 | 0 | 112.6 | H33 C40 C41 L73 D77 T80 L81 | H33-F37 PolarHBondContact O-N 3.49Å; F37-C40 PolarHBondContact O-N 3.29Å; F37-C41 PolarHBondContact O-N 2.99Å; F37-C41 PolarHBondContact O-SG 2.83Å; F37-C41 VanDerWaalsContact O-SG 3.34Å; F37-L73 HydrophobicContact CB-CD2 4.06Å; F37-D77 HydrophobicContact CD2-CB 3.6Å; F37-D77 HydrophobicContact CE2-CB 4.05Å; F37-D77 HydrophobicContact CG-CB 4.32Å; F37-T80 HydrophobicContact CE2-CG2 4.32Å; F37-T80 HydrophobicContact CZ-CG2 4.24Å; F37-L81 HydrophobicContact CD2-CD1 4.01Å; F37-L81 HydrophobicContact CD2-CD2 4.36Å; F37-L81 HydrophobicContact CD2-CG 4.08Å; F37-L81 HydrophobicContact CE2-CD1 4.35Å; F37-L81 HydrophobicContact CE2-CD2 4.13Å; F37-L81 HydrophobicContact CE2-CG 3.91Å |
| 38 | I | 94.1 | Very high | 85 | Confident | 106 Ų | 106 | 83.3 Ų | 83.3 | 54% | 0.544 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 175.5 | -69.5 | 165.2 | 0 | 0 | 0 | 110.6 | R34 L35 L36 C40 C41 E42 | R34-I38 WeakPolarHBondContact O-CD1 3.5Å; R34-I38 VanDerWaalsContact O-CG1 3.23Å; R34-I38 WeakPolarHBondContact O-CG1 3.31Å; R34-I38 PolarHBondContact O-N 3.25Å; R34-I38 VanDerWaalsContact O-N 3.09Å; L35-I38 PolarHBondContact O-N 2.94Å; L36-I38 VanDerWaalsContact C-N 3.33Å; L36-I38 PolarHBondContact O-N 2.82Å; I38-C40 VanDerWaalsContact C-N 3.31Å; I38-C40 PolarHBondContact O-N 2.84Å; I38-C41 WeakPolarHBondContact O-CB 3.5Å; I38-C41 PolarHBondContact O-N 3.49Å; I38-C41 VanDerWaalsContact O-N 3.16Å; I38-E42 PolarHBondContact O-N 2.84Å |
| 39 | A | 92.9 | Very high | 86.9 | Confident | 50 Ų | 50 | 85.6 Ų | 85.6 | 41% | 0.413 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L35 L36 E42 F43 | L35-A39 WeakPolarHBondContact O-CB 3.48Å; L35-A39 PolarHBondContact O-N 3.36Å; L36-A39 PolarHBondContact O-N 3.4Å; A39-E42 PolarHBondContact O-N 3.13Å; A39-F43 WeakPolarHBondContact O-CB 3.28Å; A39-F43 PolarHBondContact O-N 3.39Å |
| 40 | C | 95.1 | Very high | 88.8 | Confident | 6 Ų | 6 | 82 Ų | 82 | 4% | 0.041 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.3 | -39.1 | 174.6 | -66.5 | 0 | 0 | 0 | 0 | 111.9 | L36 F37 I38 F43 L44 F64 L81 | L36-C40 WeakPolarHBondContact O-CB 3.44Å; L36-C40 PolarHBondContact O-N 2.82Å; L36-C40 PolarHBondContact O-SG 2.92Å; F37-C40 PolarHBondContact O-N 3.29Å; I38-C40 VanDerWaalsContact C-N 3.31Å; I38-C40 PolarHBondContact O-N 2.84Å; C40-F43 WeakPolarHBondContact O-CB 3.47Å; C40-F43 PolarHBondContact O-N 3.18Å; C40-L44 WeakPolarHBondContact O-CG 3.48Å; C40-L44 PolarHBondContact O-N 3.5Å; C40-F64 HydrophobicContact CB-CD1 4.41Å; C40-F64 HydrophobicContact CB-CE1 3.67Å; C40-F64 HydrophobicContact CB-CZ 4.28Å; C40-L81 HydrophobicContact CB-CD1 3.54Å; C40-L81 HydrophobicContact CB-CD2 3.83Å; C40-L81 HydrophobicContact CB-CG 4.36Å |
| 41 | C | 95.1 | Very high | 90.4 | Very high | 33 Ų | 33 | 76.1 Ų | 76.1 | 22% | 0.223 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 173.7 | -72.5 | 0 | 0 | 0 | 0 | 112 | F37 I38 L44 Y45 | F37-C41 PolarHBondContact O-N 2.99Å; F37-C41 PolarHBondContact O-SG 2.83Å; F37-C41 VanDerWaalsContact O-SG 3.34Å; I38-C41 WeakPolarHBondContact O-CB 3.5Å; I38-C41 PolarHBondContact O-N 3.49Å; I38-C41 VanDerWaalsContact O-N 3.16Å; C41-L44 PolarHBondContact O-N 3.3Å; C41-Y45 PolarHBondContact O-N 3.09Å |
| 42 | E | 95.8 | Very high | 91.8 | Very high | 111 Ų | 111 | 73.9 Ų | 73.9 | 52% | 0.519 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.2 | -41.5 | 177.7 | -173.2 | 61.7 | -161.5 | 0 | 0 | 111.6 | I38 A39 Y45 C46 | I38-E42 PolarHBondContact O-N 2.84Å; A39-E42 PolarHBondContact O-N 3.13Å; E42-Y45 PolarHBondContact O-N 3.35Å; E42-C46 WeakPolarHBondContact O-CB 3.29Å; E42-C46 PolarHBondContact O-N 2.87Å; E42-C46 PolarHBondContact O-SG 3.39Å; E42-C46 VanDerWaalsContact O-SG 3.36Å; E42-C46 PolarHBondContact OE1-SG 2.92Å |
| 43 | F | 95.2 | Very high | 92.6 | Very high | 80 Ų | 80 | 76.3 Ų | 76.3 | 35% | 0.351 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -52.8 | -56.2 | 170.9 | 168.3 | -96.4 | 0 | 0 | 0 | 110.2 | A39 C40 Y45 C46 T47 I51 T60 M63 F64 | A39-F43 WeakPolarHBondContact O-CB 3.28Å; A39-F43 PolarHBondContact O-N 3.39Å; C40-F43 WeakPolarHBondContact O-CB 3.47Å; C40-F43 PolarHBondContact O-N 3.18Å; F43-Y45 VanDerWaalsContact C-N 3.29Å; F43-Y45 PolarHBondContact O-N 2.79Å; F43-C46 PolarHBondContact O-N 3.27Å; F43-C46 VanDerWaalsContact O-N 3.14Å; F43-T47 HydrophobicContact CD2-CG2 3.85Å; F43-T47 HydrophobicContact CE2-CG2 3.68Å; F43-T47 HydrophobicContact CZ-CG2 4.23Å; F43-T47 WeakPolarHBondContact O-CB 3.43Å; F43-T47 WeakPolarHBondContact O-CG2 3.44Å; F43-T47 PolarHBondContact O-N 2.99Å; F43-T47 PolarHBondContact O-OG1 3.13Å; F43-I51 HydrophobicContact CE1-CD1 4.15Å; F43-T60 HydrophobicContact CE1-CG2 3.94Å; F43-M63 HydrophobicContact CD1-CE 4.31Å; F43-M63 HydrophobicContact CE1-CE 4Å; F43-M63 HydrophobicContact CZ-CE 4.46Å; F43-F64 HydrophobicContact CD1-CZ 4.33Å |
| 44 | L | 95.3 | Very high | 93.3 | Very high | 9 Ų | 9 | 78.1 Ų | 78.1 | 5% | 0.047 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57.8 | -40.7 | 179.7 | -73 | -179.5 | 0 | 0 | 0 | 112.7 | C40 C41 K48 I51 T60 F64 L81 K84 V85 | C40-L44 WeakPolarHBondContact O-CG 3.48Å; C40-L44 PolarHBondContact O-N 3.5Å; C41-L44 PolarHBondContact O-N 3.3Å; L44-K48 WeakPolarHBondContact O-CA 3.2Å; L44-K48 VanDerWaalsContact O-CB 3.29Å; L44-K48 WeakPolarHBondContact O-CB 3.35Å; L44-K48 PolarHBondContact O-N 3.21Å; L44-I51 HydrophobicContact CD2-CD1 3.7Å; L44-T60 HydrophobicContact CD2-CG2 3.92Å; L44-F64 HydrophobicContact CD1-CE2 3.96Å; L44-F64 HydrophobicContact CD1-CZ 4.03Å; L44-F64 HydrophobicContact CD2-CE2 3.9Å; L44-F64 HydrophobicContact CD2-CZ 3.88Å; L44-F64 HydrophobicContact CG-CE2 4.13Å; L44-F64 HydrophobicContact CG-CZ 3.85Å; L44-L81 HydrophobicContact CD1-CD2 3.8Å; L44-K84 HydrophobicContact CD1-CB 4.17Å; L44-V85 HydrophobicContact CD1-CG2 4.18Å; L44-V85 HydrophobicContact CD2-CG2 3.57Å |
| 45 | Y | 94.7 | Very high | 93.7 | Very high | 160 Ų | 160 | 74 Ų | 74 | 63% | 0.627 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63.4 | -44.4 | 178.1 | 178.2 | -103.5 | 0 | 0 | 0 | 112.1 | C41 E42 F43 | C41-Y45 PolarHBondContact O-N 3.09Å; E42-Y45 PolarHBondContact O-N 3.35Å; F43-Y45 VanDerWaalsContact C-N 3.29Å; F43-Y45 PolarHBondContact O-N 2.79Å |
| 46 | C | 95.7 | Very high | 94 | Very high | 87 Ų | 87 | 72.6 Ų | 72.6 | 59% | 0.588 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -71.7 | -35.9 | -179.7 | -71.4 | 0 | 0 | 0 | 0 | 113 | E42 F43 | E42-C46 WeakPolarHBondContact O-CB 3.29Å; E42-C46 PolarHBondContact O-N 2.87Å; E42-C46 PolarHBondContact O-SG 3.39Å; E42-C46 VanDerWaalsContact O-SG 3.36Å; E42-C46 PolarHBondContact OE1-SG 2.92Å; F43-C46 PolarHBondContact O-N 3.27Å; F43-C46 VanDerWaalsContact O-N 3.14Å |
| 47 | T | 94.8 | Very high | 94.1 | Very high | 26 Ų | 26 | 73.4 Ų | 73.4 | 16% | 0.16 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -104.2 | -1.4 | -171.5 | 64.7 | 0 | 0 | 0 | 0 | 114 | F43 K49 M50 I51 | F43-T47 HydrophobicContact CD2-CG2 3.85Å; F43-T47 HydrophobicContact CE2-CG2 3.68Å; F43-T47 HydrophobicContact CZ-CG2 4.23Å; F43-T47 WeakPolarHBondContact O-CB 3.43Å; F43-T47 WeakPolarHBondContact O-CG2 3.44Å; F43-T47 PolarHBondContact O-N 2.99Å; F43-T47 PolarHBondContact O-OG1 3.13Å; T47-K49 PolarHBondContact O-N 3.4Å; T47-M50 WeakPolarHBondContact O-CA 3.33Å; T47-M50 WeakPolarHBondContact O-CB 3.5Å; T47-M50 PolarHBondContact O-N 3.45Å; T47-I51 WeakPolarHBondContact O-CG1 3.48Å; T47-I51 PolarHBondContact O-N 3.37Å; T47-I51 VanDerWaalsContact OG1-CD1 3.28Å; T47-I51 WeakPolarHBondContact OG1-CD1 3.5Å |
| 48 | K | 93.6 | Very high | 94.2 | Very high | 89 Ų | 89 | 77 Ų | 77 | 39% | 0.387 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -45 | -45.2 | -177.3 | 65.2 | -174.2 | -175.4 | -178.7 | 0 | 114.3 | L44 I51 V52 L88 | L44-K48 WeakPolarHBondContact O-CA 3.2Å; L44-K48 VanDerWaalsContact O-CB 3.29Å; L44-K48 WeakPolarHBondContact O-CB 3.35Å; L44-K48 PolarHBondContact O-N 3.21Å; K48-I51 PolarHBondContact O-N 3.46Å; K48-V52 WeakPolarHBondContact O-CG2 3.45Å; K48-V52 PolarHBondContact O-N 3.34Å; K48-V52 VanDerWaalsContact O-N 3.17Å; K48-L88 HydrophobicContact CB-CD1 4.16Å; K48-L88 HydrophobicContact CB-CD2 4.17Å |
| 49 | K | 92.9 | Very high | 94.2 | Very high | 125 Ų | 125 | 76.3 Ų | 76.3 | 54% | 0.543 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.1 | -45.9 | -177.3 | -176.7 | -178.5 | 173.5 | -172.3 | 0 | 110.5 | T47 V52 E53 | T47-K49 PolarHBondContact O-N 3.4Å; K49-V52 PolarHBondContact O-N 3.46Å; K49-E53 WeakPolarHBondContact CE-OE1 3.49Å; K49-E53 WeakPolarHBondContact CE-OE2 3.34Å; K49-E53 HydrophobicContact CG-CG 4.25Å; K49-E53 IonicContact NZ-OE1 3.31Å; K49-E53 PolarHBondContact NZ-OE1 3.47Å; K49-E53 IonicContact NZ-OE2 3.48Å; K49-E53 WeakPolarHBondContact O-CB 3.34Å; K49-E53 WeakPolarHBondContact O-CG 3.39Å; K49-E53 PolarHBondContact O-N 3.39Å |
| 50 | M | 94.6 | Very high | 94.3 | Very high | 109 Ų | 109 | 74.3 Ų | 74.3 | 54% | 0.537 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 175.2 | -179.3 | -173.5 | -73.6 | 0 | 0 | 111 | T47 V52 E53 E54 L56 | T47-M50 WeakPolarHBondContact O-CA 3.33Å; T47-M50 WeakPolarHBondContact O-CB 3.5Å; T47-M50 PolarHBondContact O-N 3.45Å; M50-V52 PolarHBondContact O-N 3.44Å; M50-E53 PolarHBondContact O-N 2.99Å; M50-E54 HydrophobicContact CG-CG 3.98Å; M50-E54 WeakPolarHBondContact O-CB 3.48Å; M50-E54 WeakPolarHBondContact O-CG 3.48Å; M50-E54 PolarHBondContact O-N 3.17Å; M50-L56 HydrophobicContact CG-CD1 4.13Å |
| 51 | I | 93.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 74.1 Ų | 74.1 | 1% | 0.01 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -56.4 | -40.8 | 178.6 | -69.8 | 167.8 | 0 | 0 | 0 | 111.2 | F43 L44 T47 K48 N55 L56 Q57 T60 V85 | F43-I51 HydrophobicContact CE1-CD1 4.15Å; L44-I51 HydrophobicContact CD2-CD1 3.7Å; T47-I51 WeakPolarHBondContact O-CG1 3.48Å; T47-I51 PolarHBondContact O-N 3.37Å; T47-I51 VanDerWaalsContact OG1-CD1 3.28Å; T47-I51 WeakPolarHBondContact OG1-CD1 3.5Å; K48-I51 PolarHBondContact O-N 3.46Å; I51-N55 PolarHBondContact O-N 3.12Å; I51-L56 PolarHBondContact O-N 3.2Å; I51-Q57 HydrophobicContact CG2-CG 4.28Å; I51-T60 HydrophobicContact CD1-CG2 4.12Å; I51-V85 HydrophobicContact CG2-CG1 4.48Å |
| 52 | V | 91.6 | Very high | 94.3 | Very high | 28 Ų | 28 | 77.5 Ų | 77.5 | 17% | 0.17 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -78.5 | -50.9 | 179.5 | -174.5 | 0 | 0 | 0 | 0 | 112 | K48 K49 M50 E54 N55 E92 | K48-V52 WeakPolarHBondContact O-CG2 3.45Å; K48-V52 PolarHBondContact O-N 3.34Å; K48-V52 VanDerWaalsContact O-N 3.17Å; K49-V52 PolarHBondContact O-N 3.46Å; M50-V52 PolarHBondContact O-N 3.44Å; V52-E54 VanDerWaalsContact C-N 3.3Å; V52-E54 PolarHBondContact O-N 3.02Å; V52-N55 PolarHBondContact O-N 3.49Å; V52-E92 VanDerWaalsContact CB-OE2 3.25Å; V52-E92 WeakPolarHBondContact CB-OE2 3.31Å; V52-E92 HydrophobicContact CG1-CB 4.22Å; V52-E92 WeakPolarHBondContact CG1-OE2 3.33Å |
| 53 | E | 93.7 | Very high | 94.3 | Very high | 131 Ų | 131 | 74.2 Ų | 74.2 | 61% | 0.612 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -62.8 | -35 | -176.1 | -72.3 | -177.6 | 159 | 0 | 0 | 112.8 | K49 M50 | K49-E53 WeakPolarHBondContact CE-OE1 3.49Å; K49-E53 WeakPolarHBondContact CE-OE2 3.34Å; K49-E53 HydrophobicContact CG-CG 4.25Å; K49-E53 IonicContact NZ-OE1 3.31Å; K49-E53 PolarHBondContact NZ-OE1 3.47Å; K49-E53 IonicContact NZ-OE2 3.48Å; K49-E53 WeakPolarHBondContact O-CB 3.34Å; K49-E53 WeakPolarHBondContact O-CG 3.39Å; K49-E53 PolarHBondContact O-N 3.39Å; M50-E53 PolarHBondContact O-N 2.99Å |
| 54 | E | 94.2 | Very high | 94.3 | Very high | 136 Ų | 136 | 70.4 Ų | 70.4 | 64% | 0.636 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 4.3 | -179.2 | -58.6 | -89.3 | 167.4 | 0 | 0 | 112.4 | M50 V52 L56 | M50-E54 HydrophobicContact CG-CG 3.98Å; M50-E54 WeakPolarHBondContact O-CB 3.48Å; M50-E54 WeakPolarHBondContact O-CG 3.48Å; M50-E54 PolarHBondContact O-N 3.17Å; V52-E54 VanDerWaalsContact C-N 3.3Å; V52-E54 PolarHBondContact O-N 3.02Å; E54-L56 VanDerWaalsContact C-N 3.34Å; E54-L56 HydrophobicContact CB-CD1 3.89Å; E54-L56 HydrophobicContact CB-CD2 4.33Å; E54-L56 HydrophobicContact CB-CG 3.74Å; E54-L56 PolarHBondContact O-N 3.02Å |
| 55 | N | 92 | Very high | 94.1 | Very high | 123 Ų | 123 | 75.7 Ų | 75.7 | 66% | 0.658 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 45.7 | 179.6 | -166.7 | 71.8 | 0 | 0 | 0 | 113.5 | I51 V52 Q57 | I51-N55 PolarHBondContact O-N 3.12Å; V52-N55 PolarHBondContact O-N 3.49Å; N55-Q57 VanDerWaalsContact C-N 3.33Å; N55-Q57 VanDerWaalsContact CA-OE1 3.25Å; N55-Q57 PolarHBondContact O-N 2.96Å; N55-Q57 PolarHBondContact O-OE1 3.48Å; N55-Q57 PolarHBondContact OD1-OE1 3Å |
| 56 | L | 94.9 | Very high | 93.9 | Very high | 60 Ų | 60 | 69 Ų | 69 | 31% | 0.314 | 34% | 0.344 | S | S | . | . | trans | -93.2 | 19 | -177 | -56.2 | 172.5 | 0 | 0 | 0 | 113.1 | M50 I51 E54 T60 | M50-L56 HydrophobicContact CG-CD1 4.13Å; I51-L56 PolarHBondContact O-N 3.2Å; E54-L56 VanDerWaalsContact C-N 3.34Å; E54-L56 HydrophobicContact CB-CD1 3.89Å; E54-L56 HydrophobicContact CB-CD2 4.33Å; E54-L56 HydrophobicContact CB-CG 3.74Å; E54-L56 PolarHBondContact O-N 3.02Å; L56-T60 WeakPolarHBondContact O-CB 3.35Å; L56-T60 PolarHBondContact O-N 3.1Å; L56-T60 PolarHBondContact O-OG1 2.89Å | ||
| 57 | Q | 93.8 | Very high | 93.6 | Very high | 29 Ų | 29 | 67.4 Ų | 67.4 | 14% | 0.136 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.4 | -53.2 | -173.9 | -58.9 | 88.7 | -5.4 | 0 | 0 | 111.9 | I51 N55 T60 I61 V85 C89 | I51-Q57 HydrophobicContact CG2-CG 4.28Å; N55-Q57 VanDerWaalsContact C-N 3.33Å; N55-Q57 VanDerWaalsContact CA-OE1 3.25Å; N55-Q57 PolarHBondContact O-N 2.96Å; N55-Q57 PolarHBondContact O-OE1 3.48Å; N55-Q57 PolarHBondContact OD1-OE1 3Å; Q57-T60 PolarHBondContact O-N 2.97Å; Q57-I61 WeakPolarHBondContact O-CB 3.29Å; Q57-I61 VanDerWaalsContact O-CG1 3.28Å; Q57-I61 WeakPolarHBondContact O-CG1 3.4Å; Q57-I61 PolarHBondContact O-N 3.29Å; Q57-V85 HydrophobicContact CB-CG1 4.15Å; Q57-C89 HydrophobicContact CG-CB 3.85Å; Q57-C89 WeakPolarHBondContact CG-SG 3.25Å |
| 58 | E | 94.2 | Very high | 93.3 | Very high | 116 Ų | 116 | 69.2 Ų | 69.2 | 54% | 0.542 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.7 | -43.9 | -175.8 | -66.4 | -57.7 | 148.9 | 0 | 0 | 111 | T60 I61 E62 | E58-T60 VanDerWaalsContact C-N 3.31Å; E58-T60 PolarHBondContact O-N 2.99Å; E58-I61 WeakPolarHBondContact O-CB 3.41Å; E58-I61 PolarHBondContact O-N 3.28Å; E58-I61 VanDerWaalsContact O-N 3.1Å; E58-E62 WeakPolarHBondContact O-CB 3.28Å; E58-E62 WeakPolarHBondContact O-CG 3.2Å; E58-E62 PolarHBondContact O-N 2.94Å |
| 59 | V | 95.1 | Very high | 93.1 | Very high | 92 Ų | 92 | 67.1 Ų | 67.1 | 56% | 0.558 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -60.1 | -41.7 | 175.9 | 179.4 | 0 | 0 | 0 | 0 | 111.4 | I61 E62 M63 | V59-I61 VanDerWaalsContact C-N 3.34Å; V59-I61 PolarHBondContact O-N 3.38Å; V59-E62 PolarHBondContact O-N 2.85Å; V59-M63 WeakPolarHBondContact O-CB 3.38Å; V59-M63 PolarHBondContact O-N 3.27Å |
| 60 | T | 95.5 | Very high | 92.7 | Very high | 8 Ų | 8 | 62.8 Ų | 62.8 | 5% | 0.049 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.4 | -38 | 177.2 | -55.8 | 0 | 0 | 0 | 0 | 111.6 | F43 L44 I51 L56 Q57 E58 M63 F64 V85 | F43-T60 HydrophobicContact CE1-CG2 3.94Å; L44-T60 HydrophobicContact CD2-CG2 3.92Å; I51-T60 HydrophobicContact CD1-CG2 4.12Å; L56-T60 WeakPolarHBondContact O-CB 3.35Å; L56-T60 PolarHBondContact O-N 3.1Å; L56-T60 PolarHBondContact O-OG1 2.89Å; Q57-T60 PolarHBondContact O-N 2.97Å; E58-T60 VanDerWaalsContact C-N 3.31Å; E58-T60 PolarHBondContact O-N 2.99Å; T60-M63 HydrophobicContact CG2-CE 4.48Å; T60-F64 HydrophobicContact CG2-CD2 4.29Å; T60-F64 HydrophobicContact CG2-CE2 3.62Å; T60-F64 HydrophobicContact CG2-CZ 3.96Å; T60-F64 VanDerWaalsContact O-CD2 3.29Å; T60-F64 WeakPolarHBondContact O-CD2 3.42Å; T60-F64 PolarHBondContact O-N 3.26Å; T60-V85 HydrophobicContact CG2-CG2 3.8Å |
| 61 | I | 95.7 | Very high | 92.3 | Very high | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.015 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.9 | -44.8 | 175.8 | -73.8 | 168.4 | 0 | 0 | 0 | 110.7 | Q57 E58 V59 M63 F64 R65 V82 V85 R86 | Q57-I61 WeakPolarHBondContact O-CB 3.29Å; Q57-I61 VanDerWaalsContact O-CG1 3.28Å; Q57-I61 WeakPolarHBondContact O-CG1 3.4Å; Q57-I61 PolarHBondContact O-N 3.29Å; E58-I61 WeakPolarHBondContact O-CB 3.41Å; E58-I61 PolarHBondContact O-N 3.28Å; E58-I61 VanDerWaalsContact O-N 3.1Å; V59-I61 VanDerWaalsContact C-N 3.34Å; V59-I61 PolarHBondContact O-N 3.38Å; I61-M63 VanDerWaalsContact C-N 3.34Å; I61-M63 PolarHBondContact O-N 3.36Å; I61-F64 PolarHBondContact O-N 3.48Å; I61-R65 WeakPolarHBondContact O-CG 3.5Å; I61-R65 PolarHBondContact O-N 3.14Å; I61-V82 HydrophobicContact CD1-CG1 4.4Å; I61-V82 HydrophobicContact CG1-CG1 4.19Å; I61-V82 HydrophobicContact CG1-CG2 4.46Å; I61-V82 HydrophobicContact CG2-CG1 4.06Å; I61-V82 HydrophobicContact CG2-CG2 4Å; I61-V85 HydrophobicContact CD1-CB 4.47Å; I61-V85 HydrophobicContact CD1-CG1 4.11Å; I61-V85 HydrophobicContact CG1-CB 4.07Å; I61-V85 HydrophobicContact CG1-CG1 3.9Å; I61-R86 HydrophobicContact CD1-CG 4.07Å |
| 62 | E | 94.4 | Very high | 91.9 | Very high | 103 Ų | 103 | 65.5 Ų | 65.5 | 48% | 0.481 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.3 | -43 | 176.5 | -75 | 173.5 | 176.2 | 0 | 0 | 111.3 | E58 V59 F64 R65 A66 | E58-E62 WeakPolarHBondContact O-CB 3.28Å; E58-E62 WeakPolarHBondContact O-CG 3.2Å; E58-E62 PolarHBondContact O-N 2.94Å; V59-E62 PolarHBondContact O-N 2.85Å; E62-F64 PolarHBondContact O-N 2.96Å; E62-R65 WeakPolarHBondContact O-CB 3.45Å; E62-R65 PolarHBondContact O-N 3.46Å; E62-R65 VanDerWaalsContact O-N 3.17Å; E62-A66 WeakPolarHBondContact O-CB 3.35Å; E62-A66 PolarHBondContact O-N 3.46Å |
| 63 | M | 94.7 | Very high | 91.9 | Very high | 43 Ų | 43 | 64.2 Ų | 64.2 | 21% | 0.212 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.9 | -46.5 | 174.6 | -176.6 | -170.7 | 69.1 | 0 | 0 | 112.2 | F43 V59 T60 I61 R65 A66 Y67 | F43-M63 HydrophobicContact CD1-CE 4.31Å; F43-M63 HydrophobicContact CE1-CE 4Å; F43-M63 HydrophobicContact CZ-CE 4.46Å; V59-M63 WeakPolarHBondContact O-CB 3.38Å; V59-M63 PolarHBondContact O-N 3.27Å; T60-M63 HydrophobicContact CG2-CE 4.48Å; I61-M63 VanDerWaalsContact C-N 3.34Å; I61-M63 PolarHBondContact O-N 3.36Å; M63-R65 VanDerWaalsContact C-N 3.34Å; M63-R65 PolarHBondContact O-N 3.12Å; M63-A66 PolarHBondContact O-N 3.46Å; M63-Y67 HydrophobicContact CE-CE2 4.27Å; M63-Y67 HydrophobicContact CG-CE1 4.23Å; M63-Y67 HydrophobicContact CG-CE2 4Å; M63-Y67 PolarHBondContact O-N 2.93Å; M63-Y67 HydrophobicContact SD-CE2 4.22Å |
| 64 | F | 94.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.2 | -32.7 | 178.3 | -63.1 | -39.8 | 0 | 0 | 0 | 113.1 | C40 F43 L44 T60 I61 E62 Y67 H68 L81 V82 V85 | C40-F64 HydrophobicContact CB-CD1 4.41Å; C40-F64 HydrophobicContact CB-CE1 3.67Å; C40-F64 HydrophobicContact CB-CZ 4.28Å; F43-F64 HydrophobicContact CD1-CZ 4.33Å; L44-F64 HydrophobicContact CD1-CE2 3.96Å; L44-F64 HydrophobicContact CD1-CZ 4.03Å; L44-F64 HydrophobicContact CD2-CE2 3.9Å; L44-F64 HydrophobicContact CD2-CZ 3.88Å; L44-F64 HydrophobicContact CG-CE2 4.13Å; L44-F64 HydrophobicContact CG-CZ 3.85Å; T60-F64 HydrophobicContact CG2-CD2 4.29Å; T60-F64 HydrophobicContact CG2-CE2 3.62Å; T60-F64 HydrophobicContact CG2-CZ 3.96Å; T60-F64 VanDerWaalsContact O-CD2 3.29Å; T60-F64 WeakPolarHBondContact O-CD2 3.42Å; T60-F64 PolarHBondContact O-N 3.26Å; I61-F64 PolarHBondContact O-N 3.48Å; E62-F64 PolarHBondContact O-N 2.96Å; F64-Y67 HydrophobicContact CD1-CD2 4.26Å; F64-Y67 PolarHBondContact O-N 2.94Å; F64-H68 PolarHBondContact O-N 3.33Å; F64-H68 VanDerWaalsContact O-N 3.12Å; F64-L81 HydrophobicContact CD1-CB 4.39Å; F64-L81 HydrophobicContact CD1-CD1 3.85Å; F64-L81 HydrophobicContact CD2-CB 3.58Å; F64-L81 HydrophobicContact CE1-CD1 4.02Å; F64-L81 HydrophobicContact CE2-CB 3.75Å; F64-L81 HydrophobicContact CG-CB 3.93Å; F64-L81 HydrophobicContact CG-CD1 4.13Å; F64-L81 HydrophobicContact CZ-CB 4.26Å; F64-L81 HydrophobicContact CZ-CD1 4.42Å; F64-L81 HydrophobicContact CZ-CD2 4.39Å; F64-V82 HydrophobicContact CB-CG2 4.37Å; F64-V85 HydrophobicContact CD2-CG2 4.35Å; F64-V85 HydrophobicContact CE2-CG2 3.77Å |
| 65 | R | 92.1 | Very high | 91.7 | Very high | 119 Ų | 119 | 58.9 Ų | 58.9 | 45% | 0.449 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.9 | -44.1 | 171.6 | -71 | 176.6 | 179.6 | 169.4 | 4.1 | 111 | I61 E62 M63 Y67 H68 V69 | I61-R65 WeakPolarHBondContact O-CG 3.5Å; I61-R65 PolarHBondContact O-N 3.14Å; E62-R65 WeakPolarHBondContact O-CB 3.45Å; E62-R65 PolarHBondContact O-N 3.46Å; E62-R65 VanDerWaalsContact O-N 3.17Å; M63-R65 VanDerWaalsContact C-N 3.34Å; M63-R65 PolarHBondContact O-N 3.12Å; R65-Y67 VanDerWaalsContact C-N 3.31Å; R65-Y67 PolarHBondContact O-N 3.27Å; R65-H68 WeakPolarHBondContact O-CA 3.37Å; R65-H68 WeakPolarHBondContact O-CB 3.36Å; R65-H68 PolarHBondContact O-N 2.81Å; R65-V69 WeakPolarHBondContact O-CG2 3.37Å; R65-V69 PolarHBondContact O-N 3.34Å |
| 66 | A | 89.8 | Confident | 91.9 | Very high | 20 Ų | 20 | 60.1 Ų | 60.1 | 17% | 0.165 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.8 | -41.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E62 M63 H68 V69 A70 | E62-A66 WeakPolarHBondContact O-CB 3.35Å; E62-A66 PolarHBondContact O-N 3.46Å; M63-A66 PolarHBondContact O-N 3.46Å; A66-H68 VanDerWaalsContact C-N 3.28Å; A66-H68 PolarHBondContact O-N 2.99Å; A66-V69 PolarHBondContact O-N 3.09Å; A66-A70 VanDerWaalsContact O-CB 3.28Å; A66-A70 WeakPolarHBondContact O-CB 3.49Å; A66-A70 PolarHBondContact O-N 3.29Å |
| 67 | Y | 90.4 | Very high | 91.9 | Very high | 53 Ų | 53 | 59 Ų | 59 | 21% | 0.208 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.9 | -32.8 | 173.2 | -69.5 | -11.5 | 0 | 0 | 0 | 113.5 | L36 M63 F64 R65 L72 L73 | L36-Y67 HydrophobicContact CD1-CE2 4.44Å; L36-Y67 HydrophobicContact CD2-CD2 4.35Å; M63-Y67 HydrophobicContact CE-CE2 4.27Å; M63-Y67 HydrophobicContact CG-CE1 4.23Å; M63-Y67 HydrophobicContact CG-CE2 4Å; M63-Y67 PolarHBondContact O-N 2.93Å; M63-Y67 HydrophobicContact SD-CE2 4.22Å; F64-Y67 HydrophobicContact CD1-CD2 4.26Å; F64-Y67 PolarHBondContact O-N 2.94Å; R65-Y67 VanDerWaalsContact C-N 3.31Å; R65-Y67 PolarHBondContact O-N 3.27Å; Y67-L72 HydrophobicContact CD1-CD1 4.04Å; Y67-L72 WeakPolarHBondContact O-CA 3.38Å; Y67-L72 WeakPolarHBondContact O-CB 3.34Å; Y67-L72 PolarHBondContact O-N 3.41Å; Y67-L73 HydrophobicContact CD2-CD1 4.16Å; Y67-L73 PolarHBondContact O-N 2.93Å; Y67-L73 VanDerWaalsContact O-N 3.11Å |
| 68 | H | 88.5 | Confident | 92 | Very high | 64 Ų | 64 | 57.9 Ų | 57.9 | 30% | 0.296 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.7 | -49.1 | 173 | 173.9 | 38.9 | 0 | 0 | 0 | 111.7 | F64 R65 A66 A70 E71 L73 H75 A78 | F64-H68 PolarHBondContact O-N 3.33Å; F64-H68 VanDerWaalsContact O-N 3.12Å; R65-H68 WeakPolarHBondContact O-CA 3.37Å; R65-H68 WeakPolarHBondContact O-CB 3.36Å; R65-H68 PolarHBondContact O-N 2.81Å; A66-H68 VanDerWaalsContact C-N 3.28Å; A66-H68 PolarHBondContact O-N 2.99Å; H68-A70 VanDerWaalsContact C-N 3.28Å; H68-A70 PolarHBondContact O-N 3.24Å; H68-E71 WeakPolarHBondContact O-CA 3.49Å; H68-E71 PolarHBondContact O-N 3.37Å; H68-L73 PolarHBondContact ND1-O 3.16Å; H68-H75 AromaticContact CD2-ND1 3.78Å; H68-H75 AromaticContact NE2-CG 3.91Å; H68-H75 AromaticContact NE2-ND1 3.27Å; H68-H75 PolarHBondContact NE2-ND1 3.34Å; H68-A78 HydrophobicContact CB-CB 3.76Å |
| 69 | V | 87.8 | Confident | 92.1 | Very high | 45 Ų | 45 | 55.6 Ų | 55.6 | 27% | 0.273 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -69.9 | -29.4 | -177.1 | -168.4 | 0 | 0 | 0 | 0 | 111.9 | I11 R65 A66 E71 | I11-V69 HydrophobicContact CD1-CB 3.2Å; I11-V69 HydrophobicContact CD1-CG1 2.96Å; I11-V69 HydrophobicContact CD1-CG2 3.88Å; I11-V69 HydrophobicContact CG1-CB 4.4Å; I11-V69 HydrophobicContact CG1-CG1 4.42Å; R65-V69 WeakPolarHBondContact O-CG2 3.37Å; R65-V69 PolarHBondContact O-N 3.34Å; A66-V69 PolarHBondContact O-N 3.09Å; V69-E71 PolarHBondContact O-N 3.11Å; V69-E71 VanDerWaalsContact O-N 3.09Å |
| 70 | A | 85.8 | Confident | 92.2 | Very high | 35 Ų | 35 | 53.8 Ų | 53.8 | 29% | 0.289 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | 5.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114 | A66 H68 L72 | A66-A70 VanDerWaalsContact O-CB 3.28Å; A66-A70 WeakPolarHBondContact O-CB 3.49Å; A66-A70 PolarHBondContact O-N 3.29Å; H68-A70 VanDerWaalsContact C-N 3.28Å; H68-A70 PolarHBondContact O-N 3.24Å; A70-L72 HydrophobicContact CB-CD1 4.1Å; A70-L72 HydrophobicContact CB-CG 3.97Å; A70-L72 PolarHBondContact O-N 3.22Å |
| 71 | E | 85.6 | Confident | 92.3 | Very high | 150 Ų | 150 | 53.4 Ų | 53.4 | 70% | 0.701 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 23.4 | -177.9 | -55.8 | -177.7 | 168.2 | 0 | 0 | 114.2 | H33 H68 V69 | H33-E71 PolarHBondContact NE2-O 2.88Å; H68-E71 WeakPolarHBondContact O-CA 3.49Å; H68-E71 PolarHBondContact O-N 3.37Å; V69-E71 PolarHBondContact O-N 3.11Å; V69-E71 VanDerWaalsContact O-N 3.09Å |
| 72 | L | 85.9 | Confident | 92.3 | Very high | 17 Ų | 17 | 53.3 Ų | 53.3 | 9% | 0.089 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -87.5 | -31.8 | 179.5 | -55.9 | 174.7 | 0 | 0 | 0 | 112.4 | F28 R29 H33 L36 Y67 A70 | F28-L72 HydrophobicContact CB-CD1 3.75Å; F28-L72 HydrophobicContact CB-CD2 4.06Å; F28-L72 HydrophobicContact CG-CD1 4.39Å; R29-L72 HydrophobicContact CG-CD2 4.16Å; H33-L72 PolarHBondContact CD2-O 3.15Å; L36-L72 HydrophobicContact CD2-CB 3.42Å; L36-L72 VanDerWaalsContact CD2-CB 3.42Å; L36-L72 HydrophobicContact CD2-CD1 4.37Å; L36-L72 HydrophobicContact CD2-CG 4.47Å; Y67-L72 HydrophobicContact CD1-CD1 4.04Å; Y67-L72 WeakPolarHBondContact O-CA 3.38Å; Y67-L72 WeakPolarHBondContact O-CB 3.34Å; Y67-L72 PolarHBondContact O-N 3.41Å; A70-L72 HydrophobicContact CB-CD1 4.1Å; A70-L72 HydrophobicContact CB-CG 3.97Å; A70-L72 PolarHBondContact O-N 3.22Å |
| 73 | L | 90.5 | Very high | 92.4 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -116.3 | 145.5 | 173.5 | -71.4 | 177.3 | 0 | 0 | 0 | 110.7 | L36 F37 Y67 H68 D77 A78 L81 | L36-L73 HydrophobicContact CB-CD2 4.2Å; L36-L73 HydrophobicContact CD2-CD2 4.01Å; L36-L73 HydrophobicContact CD2-CG 3.92Å; L36-L73 HydrophobicContact CG-CD2 3.93Å; L36-L73 HydrophobicContact CG-CG 4.28Å; F37-L73 HydrophobicContact CB-CD2 4.06Å; Y67-L73 HydrophobicContact CD2-CD1 4.16Å; Y67-L73 PolarHBondContact O-N 2.93Å; Y67-L73 VanDerWaalsContact O-N 3.11Å; H68-L73 PolarHBondContact ND1-O 3.16Å; L73-D77 HydrophobicContact CD2-CB 4.33Å; L73-A78 HydrophobicContact CB-CB 4.37Å; L73-A78 HydrophobicContact CD1-CB 4.5Å; L73-L81 HydrophobicContact CD1-CD1 3.68Å |
| 74 | S | 91.6 | Very high | 92.4 | Very high | 39 Ų | 39 | 54.4 Ų | 54.4 | 27% | 0.273 | 27% | 0.272 | S | S | . | . | trans | -65.9 | 156 | 166.3 | 77.4 | 0 | 0 | 0 | 0 | 110.3 | E76 D77 A78 | S74-E76 VanDerWaalsContact C-N 3.26Å; S74-E76 PolarHBondContact O-N 3.42Å; S74-D77 PolarHBondContact O-N 3.2Å; S74-D77 WeakPolarHBondContact OG-CB 3.47Å; S74-D77 PolarHBondContact OG-N 2.92Å; S74-D77 VanDerWaalsContact OG-N 3.12Å; S74-D77 PolarHBondContact OG-OD2 3.33Å; S74-A78 WeakPolarHBondContact O-CB 3.35Å; S74-A78 PolarHBondContact O-N 3.34Å | ||
| 75 | H | 92.4 | Very high | 92.4 | Very high | 116 Ų | 116 | 54.4 Ų | 54.4 | 54% | 0.537 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -55.9 | -43 | 175.4 | -176 | 76.7 | 0 | 0 | 0 | 112 | H68 A78 M79 | H68-H75 AromaticContact CD2-ND1 3.78Å; H68-H75 AromaticContact NE2-CG 3.91Å; H68-H75 AromaticContact NE2-ND1 3.27Å; H68-H75 PolarHBondContact NE2-ND1 3.34Å; H75-A78 PolarHBondContact O-N 2.83Å; H75-M79 WeakPolarHBondContact O-CB 3.42Å; H75-M79 WeakPolarHBondContact O-CG 3.48Å; H75-M79 PolarHBondContact O-N 3.28Å |
| 76 | E | 96.2 | Very high | 92.5 | Very high | 149 Ų | 149 | 54.1 Ų | 54.1 | 70% | 0.696 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -62.9 | -44.2 | 179.3 | -175.9 | 179.3 | 176.5 | 0 | 0 | 112.1 | S74 T80 | S74-E76 VanDerWaalsContact C-N 3.26Å; S74-E76 PolarHBondContact O-N 3.42Å; E76-T80 WeakPolarHBondContact O-CB 3.45Å; E76-T80 PolarHBondContact O-N 3.04Å; E76-T80 PolarHBondContact O-OG1 3.4Å |
| 77 | D | 95.3 | Very high | 92.6 | Very high | 37 Ų | 37 | 56.5 Ų | 56.5 | 20% | 0.198 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.6 | -45 | 178.7 | -71.4 | -39 | 0 | 0 | 0 | 111.4 | F37 L73 S74 T80 L81 | F37-D77 HydrophobicContact CD2-CB 3.6Å; F37-D77 HydrophobicContact CE2-CB 4.05Å; F37-D77 HydrophobicContact CG-CB 4.32Å; L73-D77 HydrophobicContact CD2-CB 4.33Å; S74-D77 PolarHBondContact O-N 3.2Å; S74-D77 WeakPolarHBondContact OG-CB 3.47Å; S74-D77 PolarHBondContact OG-N 2.92Å; S74-D77 VanDerWaalsContact OG-N 3.12Å; S74-D77 PolarHBondContact OG-OD2 3.33Å; D77-T80 WeakPolarHBondContact O-CB 3.36Å; D77-T80 PolarHBondContact O-N 3.4Å; D77-L81 WeakPolarHBondContact O-CG 3.42Å; D77-L81 PolarHBondContact O-N 2.79Å |
| 78 | A | 95.5 | Very high | 92.4 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 3% | 0.033 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | H68 L73 S74 H75 T80 L81 V82 | H68-A78 HydrophobicContact CB-CB 3.76Å; L73-A78 HydrophobicContact CB-CB 4.37Å; L73-A78 HydrophobicContact CD1-CB 4.5Å; S74-A78 WeakPolarHBondContact O-CB 3.35Å; S74-A78 PolarHBondContact O-N 3.34Å; H75-A78 PolarHBondContact O-N 2.83Å; A78-T80 VanDerWaalsContact C-N 3.35Å; A78-T80 PolarHBondContact O-N 3.48Å; A78-L81 PolarHBondContact O-N 2.89Å; A78-V82 WeakPolarHBondContact O-CG2 3.31Å; A78-V82 PolarHBondContact O-N 3.01Å |
| 79 | M | 96.7 | Very high | 91.9 | Very high | 68 Ų | 68 | 54.4 Ų | 54.4 | 34% | 0.335 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.9 | -39.5 | 176.8 | -72.3 | -55.5 | -56.1 | 0 | 0 | 112.3 | H75 L81 V82 D83 | H75-M79 WeakPolarHBondContact O-CB 3.42Å; H75-M79 WeakPolarHBondContact O-CG 3.48Å; H75-M79 PolarHBondContact O-N 3.28Å; M79-L81 VanDerWaalsContact C-N 3.3Å; M79-L81 PolarHBondContact O-N 3.43Å; M79-V82 PolarHBondContact O-N 3.33Å; M79-D83 PolarHBondContact O-N 3.41Å |
| 80 | T | 97.1 | Very high | 91.5 | Very high | 54 Ų | 54 | 57 Ų | 57 | 33% | 0.331 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59 | -41.6 | 174 | -63.2 | 0 | 0 | 0 | 0 | 111.7 | F37 E76 D77 A78 K84 | F37-T80 HydrophobicContact CE2-CG2 4.32Å; F37-T80 HydrophobicContact CZ-CG2 4.24Å; E76-T80 WeakPolarHBondContact O-CB 3.45Å; E76-T80 PolarHBondContact O-N 3.04Å; E76-T80 PolarHBondContact O-OG1 3.4Å; D77-T80 WeakPolarHBondContact O-CB 3.36Å; D77-T80 PolarHBondContact O-N 3.4Å; A78-T80 VanDerWaalsContact C-N 3.35Å; A78-T80 PolarHBondContact O-N 3.48Å; T80-K84 WeakPolarHBondContact O-CG 3.29Å; T80-K84 PolarHBondContact O-N 3.43Å; T80-K84 VanDerWaalsContact O-N 3.13Å |
| 81 | L | 97.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.3 | -42.7 | 176.9 | -69.5 | 165.8 | 0 | 0 | 0 | 111.9 | F37 C40 L44 F64 L73 D77 A78 M79 D83 K84 V85 | F37-L81 HydrophobicContact CD2-CD1 4.01Å; F37-L81 HydrophobicContact CD2-CD2 4.36Å; F37-L81 HydrophobicContact CD2-CG 4.08Å; F37-L81 HydrophobicContact CE2-CD1 4.35Å; F37-L81 HydrophobicContact CE2-CD2 4.13Å; F37-L81 HydrophobicContact CE2-CG 3.91Å; C40-L81 HydrophobicContact CB-CD1 3.54Å; C40-L81 HydrophobicContact CB-CD2 3.83Å; C40-L81 HydrophobicContact CB-CG 4.36Å; L44-L81 HydrophobicContact CD1-CD2 3.8Å; F64-L81 HydrophobicContact CD1-CB 4.39Å; F64-L81 HydrophobicContact CD1-CD1 3.85Å; F64-L81 HydrophobicContact CD2-CB 3.58Å; F64-L81 HydrophobicContact CE1-CD1 4.02Å; F64-L81 HydrophobicContact CE2-CB 3.75Å; F64-L81 HydrophobicContact CG-CB 3.93Å; F64-L81 HydrophobicContact CG-CD1 4.13Å; F64-L81 HydrophobicContact CZ-CB 4.26Å; F64-L81 HydrophobicContact CZ-CD1 4.42Å; F64-L81 HydrophobicContact CZ-CD2 4.39Å; L73-L81 HydrophobicContact CD1-CD1 3.68Å; D77-L81 WeakPolarHBondContact O-CG 3.42Å; D77-L81 PolarHBondContact O-N 2.79Å; A78-L81 PolarHBondContact O-N 2.89Å; M79-L81 VanDerWaalsContact C-N 3.3Å; M79-L81 PolarHBondContact O-N 3.43Å; L81-D83 VanDerWaalsContact C-N 3.35Å; L81-D83 PolarHBondContact O-N 2.96Å; L81-K84 WeakPolarHBondContact O-CB 3.44Å; L81-K84 PolarHBondContact O-N 3.09Å; L81-V85 WeakPolarHBondContact O-CG2 3.49Å; L81-V85 PolarHBondContact O-N 3.33Å |
| 82 | V | 96.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59 | -45.8 | 176 | 167.9 | 0 | 0 | 0 | 0 | 111.3 | I61 F64 A78 M79 K84 V85 R86 | I61-V82 HydrophobicContact CD1-CG1 4.4Å; I61-V82 HydrophobicContact CG1-CG1 4.19Å; I61-V82 HydrophobicContact CG1-CG2 4.46Å; I61-V82 HydrophobicContact CG2-CG1 4.06Å; I61-V82 HydrophobicContact CG2-CG2 4Å; F64-V82 HydrophobicContact CB-CG2 4.37Å; A78-V82 WeakPolarHBondContact O-CG2 3.31Å; A78-V82 PolarHBondContact O-N 3.01Å; M79-V82 PolarHBondContact O-N 3.33Å; V82-K84 VanDerWaalsContact C-N 3.29Å; V82-K84 PolarHBondContact O-N 2.7Å; V82-V85 PolarHBondContact O-N 3.37Å; V82-R86 WeakPolarHBondContact O-CG 3.39Å; V82-R86 PolarHBondContact O-N 3.26Å |
| 83 | D | 96.2 | Very high | 87.2 | Confident | 78 Ų | 78 | 65.9 Ų | 65.9 | 42% | 0.417 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.6 | -32.5 | 178.9 | -72.9 | -16.9 | 0 | 0 | 0 | 112.3 | M79 L81 R86 T87 | M79-D83 PolarHBondContact O-N 3.41Å; L81-D83 VanDerWaalsContact C-N 3.35Å; L81-D83 PolarHBondContact O-N 2.96Å; D83-R86 IonicContact OD1-NH1 3.98Å; D83-R86 PolarHBondContact OD1-NH1 3.21Å; D83-T87 WeakPolarHBondContact O-CB 3.23Å; D83-T87 PolarHBondContact O-N 3.3Å; D83-T87 PolarHBondContact O-OG1 3.28Å |
| 84 | K | 95.2 | Very high | 84.9 | Confident | 91 Ų | 91 | 75.7 Ų | 75.7 | 40% | 0.396 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.3 | -46.5 | 170.6 | -76.3 | 177.5 | 179.7 | -173.6 | 0 | 111.7 | L44 T80 L81 V82 R86 T87 L88 | L44-K84 HydrophobicContact CD1-CB 4.17Å; T80-K84 WeakPolarHBondContact O-CG 3.29Å; T80-K84 PolarHBondContact O-N 3.43Å; T80-K84 VanDerWaalsContact O-N 3.13Å; L81-K84 WeakPolarHBondContact O-CB 3.44Å; L81-K84 PolarHBondContact O-N 3.09Å; V82-K84 VanDerWaalsContact C-N 3.29Å; V82-K84 PolarHBondContact O-N 2.7Å; K84-R86 PolarHBondContact O-N 3.4Å; K84-T87 PolarHBondContact O-N 3.48Å; K84-L88 VanDerWaalsContact O-CG 3.31Å; K84-L88 WeakPolarHBondContact O-CG 3.29Å; K84-L88 PolarHBondContact O-N 3.37Å |
| 85 | V | 94.6 | Very high | 84.6 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59.5 | -47.7 | 177.4 | 176.5 | 0 | 0 | 0 | 0 | 111 | L44 I51 Q57 T60 I61 F64 L81 V82 T87 L88 C89 | L44-V85 HydrophobicContact CD1-CG2 4.18Å; L44-V85 HydrophobicContact CD2-CG2 3.57Å; I51-V85 HydrophobicContact CG2-CG1 4.48Å; Q57-V85 HydrophobicContact CB-CG1 4.15Å; T60-V85 HydrophobicContact CG2-CG2 3.8Å; I61-V85 HydrophobicContact CD1-CB 4.47Å; I61-V85 HydrophobicContact CD1-CG1 4.11Å; I61-V85 HydrophobicContact CG1-CB 4.07Å; I61-V85 HydrophobicContact CG1-CG1 3.9Å; F64-V85 HydrophobicContact CD2-CG2 4.35Å; F64-V85 HydrophobicContact CE2-CG2 3.77Å; L81-V85 WeakPolarHBondContact O-CG2 3.49Å; L81-V85 PolarHBondContact O-N 3.33Å; V82-V85 PolarHBondContact O-N 3.37Å; V85-T87 VanDerWaalsContact C-N 3.3Å; V85-T87 PolarHBondContact O-N 3.21Å; V85-L88 WeakPolarHBondContact O-CB 3.43Å; V85-L88 PolarHBondContact O-N 2.78Å; V85-C89 PolarHBondContact O-N 3.38Å; V85-C89 PolarHBondContact O-SG 3.15Å |
| 86 | R | 92.9 | Very high | 84.2 | Confident | 113 Ų | 113 | 75.5 Ų | 75.5 | 43% | 0.426 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -57.5 | -44.2 | 176 | -70.5 | 172 | 174.7 | 160.3 | -6 | 111.7 | I61 V82 D83 K84 C89 V90 | I61-R86 HydrophobicContact CD1-CG 4.07Å; V82-R86 WeakPolarHBondContact O-CG 3.39Å; V82-R86 PolarHBondContact O-N 3.26Å; D83-R86 IonicContact OD1-NH1 3.98Å; D83-R86 PolarHBondContact OD1-NH1 3.21Å; K84-R86 PolarHBondContact O-N 3.4Å; R86-C89 PolarHBondContact O-N 3.15Å; R86-V90 WeakPolarHBondContact O-CG2 3.48Å; R86-V90 PolarHBondContact O-N 2.94Å |
| 87 | T | 92.2 | Very high | 83.5 | Confident | 70 Ų | 70 | 71.4 Ų | 71.4 | 43% | 0.429 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.1 | -38.6 | 179.6 | -59.1 | 0 | 0 | 0 | 0 | 112.7 | D83 K84 V85 C89 K91 | D83-T87 WeakPolarHBondContact O-CB 3.23Å; D83-T87 PolarHBondContact O-N 3.3Å; D83-T87 PolarHBondContact O-OG1 3.28Å; K84-T87 PolarHBondContact O-N 3.48Å; V85-T87 VanDerWaalsContact C-N 3.3Å; V85-T87 PolarHBondContact O-N 3.21Å; T87-C89 PolarHBondContact O-N 3.3Å; T87-K91 HydrophobicContact CG2-CD 4.32Å; T87-K91 PolarHBondContact O-N 3.45Å |
| 88 | L | 87.7 | Confident | 82.8 | Confident | 52 Ų | 52 | 73.5 Ų | 73.5 | 27% | 0.272 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -56.9 | -41.5 | 177.6 | -75.1 | 169.4 | 0 | 0 | 0 | 111 | K48 K84 V85 | K48-L88 HydrophobicContact CB-CD1 4.16Å; K48-L88 HydrophobicContact CB-CD2 4.17Å; K84-L88 VanDerWaalsContact O-CG 3.31Å; K84-L88 WeakPolarHBondContact O-CG 3.29Å; K84-L88 PolarHBondContact O-N 3.37Å; V85-L88 WeakPolarHBondContact O-CB 3.43Å; V85-L88 PolarHBondContact O-N 2.78Å |
| 89 | C | 77.6 | Confident | 82 | Confident | 22 Ų | 22 | 77.8 Ų | 77.8 | 15% | 0.149 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -87.9 | -21.9 | -170.1 | -52.7 | 0 | 0 | 0 | 0 | 113.5 | Q57 V85 R86 T87 | Q57-C89 HydrophobicContact CG-CB 3.85Å; Q57-C89 WeakPolarHBondContact CG-SG 3.25Å; V85-C89 PolarHBondContact O-N 3.38Å; V85-C89 PolarHBondContact O-SG 3.15Å; R86-C89 PolarHBondContact O-N 3.15Å; T87-C89 PolarHBondContact O-N 3.3Å |
| 90 | V | 79.3 | Confident | 81.1 | Confident | 100 Ų | 100 | 78.5 Ų | 78.5 | 61% | 0.606 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -71.6 | -32.4 | 170.2 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | R86 | R86-V90 WeakPolarHBondContact O-CG2 3.48Å; R86-V90 PolarHBondContact O-N 2.94Å |
| 91 | K | 60.5 | Low | 79.9 | Confident | 147 Ų | 147 | 80.2 Ų | 80.2 | 64% | 0.639 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -77.8 | -22.7 | -174.1 | -76.8 | -175.2 | 179.1 | -178.6 | 0 | 114.9 | T87 V93 | T87-K91 HydrophobicContact CG2-CD 4.32Å; T87-K91 PolarHBondContact O-N 3.45Å; K91-V93 VanDerWaalsContact C-N 3.32Å |
| 92 | E | 54.4 | Low | 78.6 | Confident | 112 Ų | 112 | 86.4 Ų | 86.4 | 52% | 0.523 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -8.1 | 177.9 | -73.4 | -166.1 | 176.7 | 0 | 0 | 113.7 | V52 L94 | V52-E92 VanDerWaalsContact CB-OE2 3.25Å; V52-E92 WeakPolarHBondContact CB-OE2 3.31Å; V52-E92 HydrophobicContact CG1-CB 4.22Å; V52-E92 WeakPolarHBondContact CG1-OE2 3.33Å; E92-L94 VanDerWaalsContact C-N 3.32Å |
| 93 | V | 50.7 | Low | 77.1 | Confident | 128 Ų | 128 | 93.5 Ų | 93.5 | 78% | 0.776 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -7.1 | 174.9 | -172.7 | 0 | 0 | 0 | 0 | 112.3 | K91 | K91-V93 VanDerWaalsContact C-N 3.32Š|
| 94 | L | 44 | Very low | 75.4 | Confident | 209 Ų | 209 | 94.9 Ų | 94.9 | 100% | 1.094 | 48% | 0.483 | S | S | * | . | trans | -108.5 | 0 | 176.8 | -71.8 | 172.3 | 0 | 0 | 0 | 111.7 | E92 | E92-L94 VanDerWaalsContact C-N 3.32Š|
Retrieved 94 of 94 residues in 54.7 ms
(Link to these results)