| 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 | 38.7 | Very low | 49.3 | Very low | 247 Ų | 247 | 123.3 Ų | 123.3 | 100% | 1.217 | 67% | 0.668 | S | S | * | * | 0 | 94.8 | 0 | -74.7 | 167.3 | 163.2 | 0 | 0 | 106.9 | |||||
| 2 | V | 39.3 | Very low | 49.9 | Very low | 131 Ų | 131 | 118.1 Ų | 118.1 | 79% | 0.794 | 65% | 0.654 | S | S | * | * | trans | -89.5 | 139.1 | -171.3 | -70.6 | 0 | 0 | 0 | 0 | 110.3 | L4 | V2-L4 PolarHBondContact O-N 2.78Š| ||
| 3 | N | 37.8 | Very low | 50 | Low | 113 Ų | 113 | 113.7 Ų | 113.7 | 60% | 0.604 | 63% | 0.633 | S | S | * | * | trans | -30.4 | 86.3 | -176.5 | -68.4 | -77.6 | 0 | 0 | 0 | 117.3 | G5 L6 | N3-G5 PolarHBondContact O-N 3.04Å; N3-L6 HydrophobicContact CB-CB 3.92Å; N3-L6 HydrophobicContact CB-CD1 3.69Å; N3-L6 HydrophobicContact CB-CG 4.4Å; N3-L6 PolarHBondContact O-N 2.77Å | ||
| 4 | L | 54.1 | Low | 50 | Low | 142 Ų | 142 | 108.3 Ų | 108.3 | 74% | 0.743 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -57.9 | -26.8 | 165.5 | -94.8 | 92.6 | 0 | 0 | 0 | 112.5 | V2 R8 | V2-L4 PolarHBondContact O-N 2.78Å; L4-R8 WeakPolarHBondContact O-CG 3.45Å; L4-R8 PolarHBondContact O-N 2.87Å |
| 5 | G | 51.5 | Low | 50 | Low | 49 Ų | 49 | 106.7 Ų | 106.7 | 51% | 0.505 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -69.9 | -37.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | N3 V9 | N3-G5 PolarHBondContact O-N 3.04Å; G5-V9 VanDerWaalsContact O-CG2 3.27Å; G5-V9 WeakPolarHBondContact O-CG2 3.34Å; G5-V9 PolarHBondContact O-N 3.47Å |
| 6 | L | 51.3 | Low | 50.2 | Low | 104 Ų | 104 | 113.3 Ų | 113.3 | 55% | 0.545 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -70.3 | -42.9 | 177.7 | -96.6 | 132.8 | 0 | 0 | 0 | 111.3 | N3 R8 V9 D10 | N3-L6 HydrophobicContact CB-CB 3.92Å; N3-L6 HydrophobicContact CB-CD1 3.69Å; N3-L6 HydrophobicContact CB-CG 4.4Å; N3-L6 PolarHBondContact O-N 2.77Å; L6-R8 VanDerWaalsContact C-N 3.34Å; L6-R8 PolarHBondContact O-N 3.39Å; L6-V9 PolarHBondContact O-N 3.27Å; L6-D10 PolarHBondContact O-N 3.19Å |
| 7 | S | 51.3 | Low | 50 | Low | 74 Ų | 74 | 113.3 Ų | 113.3 | 52% | 0.517 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -60.5 | -40.8 | 175.2 | -68.8 | 0 | 0 | 0 | 0 | 112.7 | V9 D10 D11 | S7-V9 VanDerWaalsContact C-N 3.33Å; S7-V9 PolarHBondContact O-N 2.85Å; S7-D10 PolarHBondContact O-N 3.49Å; S7-D11 WeakPolarHBondContact O-CB 3.36Å; S7-D11 VanDerWaalsContact O-CG 3.29Å; S7-D11 PolarHBondContact O-N 2.89Å; S7-D11 VanDerWaalsContact O-OD2 3.14Å |
| 8 | R | 51.2 | Low | 50 | Low | 187 Ų | 187 | 111.1 Ų | 111.1 | 71% | 0.706 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.1 | -34.1 | 177.2 | -79.6 | -78.2 | 178.1 | 96 | -1.6 | 113.1 | L4 L6 A12 | L4-R8 WeakPolarHBondContact O-CG 3.45Å; L4-R8 PolarHBondContact O-N 2.87Å; L6-R8 VanDerWaalsContact C-N 3.34Å; L6-R8 PolarHBondContact O-N 3.39Å; R8-A12 VanDerWaalsContact O-CB 3.27Å; R8-A12 WeakPolarHBondContact O-CB 3.3Å; R8-A12 PolarHBondContact O-N 3.13Å |
| 9 | V | 54.2 | Low | 50 | Low | 92 Ų | 92 | 106.7 Ų | 106.7 | 56% | 0.558 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -72.6 | -42.9 | 176.4 | 172.1 | 0 | 0 | 0 | 0 | 110.1 | G5 L6 S7 A12 V13 | G5-V9 VanDerWaalsContact O-CG2 3.27Å; G5-V9 WeakPolarHBondContact O-CG2 3.34Å; G5-V9 PolarHBondContact O-N 3.47Å; L6-V9 PolarHBondContact O-N 3.27Å; S7-V9 VanDerWaalsContact C-N 3.33Å; S7-V9 PolarHBondContact O-N 2.85Å; V9-A12 PolarHBondContact O-N 3.46Å; V9-V13 HydrophobicContact CG1-CG2 4.29Å; V9-V13 VanDerWaalsContact O-CB 3.26Å; V9-V13 WeakPolarHBondContact O-CB 3.16Å; V9-V13 WeakPolarHBondContact O-CG2 3.32Å; V9-V13 PolarHBondContact O-N 3.48Å |
| 10 | D | 55.9 | Low | 49.7 | Very low | 107 Ų | 107 | 106.4 Ų | 106.4 | 57% | 0.572 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -59.4 | -43.8 | 172.1 | -102 | -78.6 | 0 | 0 | 0 | 111.7 | L6 S7 V13 A14 | L6-D10 PolarHBondContact O-N 3.19Å; S7-D10 PolarHBondContact O-N 3.49Å; D10-V13 PolarHBondContact O-N 3.48Å; D10-A14 WeakPolarHBondContact O-CB 3.33Å; D10-A14 PolarHBondContact O-N 3.31Å |
| 11 | D | 56.9 | Low | 49.8 | Very low | 110 Ų | 110 | 103.2 Ų | 103.2 | 59% | 0.588 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.5 | -40.2 | 177.6 | -74.7 | -40 | 0 | 0 | 0 | 112.5 | S7 A15 | S7-D11 WeakPolarHBondContact O-CB 3.36Å; S7-D11 VanDerWaalsContact O-CG 3.29Å; S7-D11 PolarHBondContact O-N 2.89Å; S7-D11 VanDerWaalsContact O-OD2 3.14Å; D11-A15 WeakPolarHBondContact O-CB 3.26Å; D11-A15 PolarHBondContact O-N 3.02Å |
| 12 | A | 56 | Low | 50.4 | Low | 61 Ų | 61 | 94.4 Ų | 94.4 | 50% | 0.504 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -73.1 | -30.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R8 V9 R16 | R8-A12 VanDerWaalsContact O-CB 3.27Å; R8-A12 WeakPolarHBondContact O-CB 3.3Å; R8-A12 PolarHBondContact O-N 3.13Å; V9-A12 PolarHBondContact O-N 3.46Å; A12-R16 PolarHBondContact O-N 3.13Å |
| 13 | V | 52 | Low | 50.6 | Low | 61 Ų | 61 | 95.4 Ų | 95.4 | 37% | 0.37 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -78.1 | -39.1 | 173.8 | 169 | 0 | 0 | 0 | 0 | 110.8 | V9 D10 A15 R16 H17 L20 | V9-V13 HydrophobicContact CG1-CG2 4.29Å; V9-V13 VanDerWaalsContact O-CB 3.26Å; V9-V13 WeakPolarHBondContact O-CB 3.16Å; V9-V13 WeakPolarHBondContact O-CG2 3.32Å; V9-V13 PolarHBondContact O-N 3.48Å; D10-V13 PolarHBondContact O-N 3.48Å; V13-A15 VanDerWaalsContact C-N 3.29Å; V13-A15 PolarHBondContact O-N 3.22Å; V13-R16 CarbonylContact O-C 3.58Å; V13-R16 PolarHBondContact O-N 3.49Å; V13-H17 PolarHBondContact O-N 3.49Å; V13-L20 HydrophobicContact CG1-CD1 4.06Å |
| 14 | A | 49.3 | Very low | 51.3 | Low | 38 Ų | 38 | 92.5 Ų | 92.5 | 31% | 0.314 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.7 | -35.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D10 R16 H17 P18 | D10-A14 WeakPolarHBondContact O-CB 3.33Å; D10-A14 PolarHBondContact O-N 3.31Å; A14-R16 VanDerWaalsContact C-N 3.3Å; A14-R16 PolarHBondContact O-N 3.43Å; A14-H17 CarbonylContact O-C 3.39Å; A14-P18 VanDerWaalsContact O-CA 3.26Å; A14-P18 WeakPolarHBondContact O-CA 3.18Å |
| 15 | A | 50 | Low | 51.3 | Low | 84 Ų | 84 | 88.3 Ų | 88.3 | 69% | 0.694 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -25.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D11 V13 | D11-A15 WeakPolarHBondContact O-CB 3.26Å; D11-A15 PolarHBondContact O-N 3.02Å; V13-A15 VanDerWaalsContact C-N 3.29Å; V13-A15 PolarHBondContact O-N 3.22Å |
| 16 | R | 53.9 | Low | 51.4 | Low | 213 Ų | 213 | 86.8 Ų | 86.8 | 80% | 0.804 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -22.6 | -179.2 | -125.8 | 163.7 | -175.2 | -179.6 | -0.9 | 113.6 | A12 V13 A14 | A12-R16 PolarHBondContact O-N 3.13Å; V13-R16 CarbonylContact O-C 3.58Å; V13-R16 PolarHBondContact O-N 3.49Å; A14-R16 VanDerWaalsContact C-N 3.3Å; A14-R16 PolarHBondContact O-N 3.43Å |
| 17 | H | 46.8 | Very low | 51.5 | Low | 113 Ų | 113 | 87.5 Ų | 87.5 | 52% | 0.523 | 49% | 0.489 | S | S | . | . | trans | -137.5 | 77.3 | 176.3 | -60.3 | -67.7 | 0 | 0 | 0 | 109.2 | V13 A14 G19 L20 | V13-H17 PolarHBondContact O-N 3.49Å; A14-H17 CarbonylContact O-C 3.39Å; H17-G19 PolarHBondContact O-N 2.77Å; H17-L20 HydrophobicContact CB-CD1 4.01Å; H17-L20 PolarHBondContact O-N 3.42Å | ||
| 18 | P | 49.7 | Very low | 51.5 | Low | 74 Ų | 74 | 87.1 Ų | 87.1 | 48% | 0.481 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.8 | -4.7 | -175.1 | 14.3 | -20.9 | 0 | 0 | 0 | 114.9 | A14 W90 | A14-P18 VanDerWaalsContact O-CA 3.26Å; A14-P18 WeakPolarHBondContact O-CA 3.18Å; P18-W90 VanDerWaalsContact C-CH2 3.48Å; P18-W90 HydrophobicContact CB-CH2 3.83Å; P18-W90 HydrophobicContact CB-CZ3 3.58Å; P18-W90 HydrophobicContact CG-CH2 3.42Å; P18-W90 VanDerWaalsContact CG-CH2 3.42Å; P18-W90 HydrophobicContact CG-CZ3 3.65Å; P18-W90 WeakPolarHBondContact O-CZ3 3.4Å |
| 19 | G | 49.6 | Very low | 51.7 | Low | 27 Ų | 27 | 82.7 Ų | 82.7 | 28% | 0.278 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -83.3 | -19 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | H17 Y23 | H17-G19 PolarHBondContact O-N 2.77Å; G19-Y23 VanDerWaalsContact O-CB 3.29Å; G19-Y23 WeakPolarHBondContact O-CB 3.29Å; G19-Y23 PolarHBondContact O-N 2.91Å; G19-Y23 VanDerWaalsContact O-N 3.07Å |
| 20 | L | 45 | Very low | 51.8 | Low | 101 Ų | 101 | 79.2 Ų | 79.2 | 53% | 0.529 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -75.5 | -36.5 | 178.3 | -75.8 | 165.1 | 0 | 0 | 0 | 112 | V13 H17 A24 | V13-L20 HydrophobicContact CG1-CD1 4.06Å; H17-L20 HydrophobicContact CB-CD1 4.01Å; H17-L20 PolarHBondContact O-N 3.42Å; L20-A24 WeakPolarHBondContact O-CB 3.32Å; L20-A24 PolarHBondContact O-N 3.39Å |
| 21 | G | 51.1 | Low | 52.2 | Low | 39 Ų | 39 | 81.3 Ų | 81.3 | 40% | 0.402 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.9 | -42.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A24 A25 | G21-A24 PolarHBondContact O-N 2.82Å; G21-A25 WeakPolarHBondContact O-CB 3.22Å; G21-A25 PolarHBondContact O-N 3.44Å |
| 22 | E | 51.1 | Low | 52.7 | Low | 63 Ų | 63 | 82.2 Ų | 82.2 | 29% | 0.294 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.4 | -40.8 | 174.1 | -94.1 | -91.3 | 120.3 | 0 | 0 | 112.1 | A25 C26 C86 | E22-A25 PolarHBondContact O-N 3.33Å; E22-C26 VanDerWaalsContact O-CB 3.29Å; E22-C26 WeakPolarHBondContact O-CB 3.41Å; E22-C26 PolarHBondContact O-N 2.91Å; E22-C86 PolarHBondContact OE2-SG 3.06Å; E22-C86 VanDerWaalsContact OE2-SG 3.32Å |
| 23 | Y | 44.8 | Very low | 53.1 | Low | 152 Ų | 152 | 83.1 Ų | 83.1 | 60% | 0.596 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -64.5 | -42.2 | 174.6 | -177.5 | -96.6 | 0 | 0 | 0 | 112.2 | G19 C26 Q27 | G19-Y23 VanDerWaalsContact O-CB 3.29Å; G19-Y23 WeakPolarHBondContact O-CB 3.29Å; G19-Y23 PolarHBondContact O-N 2.91Å; G19-Y23 VanDerWaalsContact O-N 3.07Å; Y23-C26 PolarHBondContact O-N 3.35Å; Y23-Q27 VanDerWaalsContact O-CB 3.31Å; Y23-Q27 WeakPolarHBondContact O-CB 3.34Å; Y23-Q27 PolarHBondContact O-N 3.48Å |
| 24 | A | 50.5 | Low | 53.7 | Low | 52 Ų | 52 | 81.1 Ų | 81.1 | 43% | 0.43 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.6 | -37.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L20 G21 S28 | L20-A24 WeakPolarHBondContact O-CB 3.32Å; L20-A24 PolarHBondContact O-N 3.39Å; G21-A24 PolarHBondContact O-N 2.82Å; A24-S28 WeakPolarHBondContact O-CB 3.3Å; A24-S28 PolarHBondContact O-N 3.04Å; A24-S28 PolarHBondContact O-OG 3.37Å |
| 25 | A | 55.6 | Low | 54.8 | Low | 53 Ų | 53 | 82.5 Ų | 82.5 | 44% | 0.438 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.1 | -39.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G21 E22 S28 H29 | G21-A25 WeakPolarHBondContact O-CB 3.22Å; G21-A25 PolarHBondContact O-N 3.44Å; E22-A25 PolarHBondContact O-N 3.33Å; A25-S28 WeakPolarHBondContact CA-OG 3.31Å; A25-S28 PolarHBondContact O-OG 3.48Å; A25-H29 VanDerWaalsContact O-CB 3.3Å; A25-H29 WeakPolarHBondContact O-CB 3.19Å; A25-H29 PolarHBondContact O-N 2.84Å |
| 26 | C | 54 | Low | 55.9 | Low | 17 Ų | 17 | 85.4 Ų | 85.4 | 12% | 0.115 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -70.3 | -40.1 | 176.2 | -173.4 | 0 | 0 | 0 | 0 | 112.4 | E22 Y23 H29 A30 | E22-C26 VanDerWaalsContact O-CB 3.29Å; E22-C26 WeakPolarHBondContact O-CB 3.41Å; E22-C26 PolarHBondContact O-N 2.91Å; Y23-C26 PolarHBondContact O-N 3.35Å; C26-H29 PolarHBondContact O-N 2.89Å; C26-A30 WeakPolarHBondContact O-CB 3.36Å; C26-A30 PolarHBondContact O-N 3.42Å |
| 27 | Q | 52.9 | Low | 56.7 | Low | 120 Ų | 120 | 79 Ų | 79 | 56% | 0.561 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -64.5 | -43.1 | 176.8 | -174.4 | 177.6 | -1.8 | 0 | 0 | 111.4 | Y23 F31 | Y23-Q27 VanDerWaalsContact O-CB 3.31Å; Y23-Q27 WeakPolarHBondContact O-CB 3.34Å; Y23-Q27 PolarHBondContact O-N 3.48Å; Q27-F31 VanDerWaalsContact O-CB 3.24Å; Q27-F31 WeakPolarHBondContact O-CB 3.36Å; Q27-F31 PolarHBondContact O-N 3.28Å |
| 28 | S | 51.5 | Low | 57.9 | Low | 65 Ų | 65 | 79.9 Ų | 79.9 | 46% | 0.455 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -69.7 | -37.3 | 177.2 | 55.6 | 0 | 0 | 0 | 0 | 112.5 | A24 A25 M32 | A24-S28 WeakPolarHBondContact O-CB 3.3Å; A24-S28 PolarHBondContact O-N 3.04Å; A24-S28 PolarHBondContact O-OG 3.37Å; A25-S28 WeakPolarHBondContact CA-OG 3.31Å; A25-S28 PolarHBondContact O-OG 3.48Å; S28-M32 WeakPolarHBondContact O-CB 3.16Å; S28-M32 PolarHBondContact O-N 2.89Å |
| 29 | H | 55.8 | Low | 59.2 | Low | 95 Ų | 95 | 80.6 Ų | 80.6 | 44% | 0.44 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.8 | -42.6 | 175.3 | -177 | -110.3 | 0 | 0 | 0 | 112.6 | A25 C26 M32 K33 | A25-H29 VanDerWaalsContact O-CB 3.3Å; A25-H29 WeakPolarHBondContact O-CB 3.19Å; A25-H29 PolarHBondContact O-N 2.84Å; C26-H29 PolarHBondContact O-N 2.89Å; H29-M32 PolarHBondContact O-N 3.41Å; H29-K33 VanDerWaalsContact O-CB 3.25Å; H29-K33 WeakPolarHBondContact O-CB 3.12Å; H29-K33 PolarHBondContact O-N 3.02Å |
| 30 | A | 56.4 | Low | 60.6 | Low | 18 Ų | 18 | 82.1 Ų | 82.1 | 15% | 0.149 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | C26 G34 | C26-A30 WeakPolarHBondContact O-CB 3.36Å; C26-A30 PolarHBondContact O-N 3.42Å; A30-G34 PolarHBondContact O-N 3.46Å |
| 31 | F | 63.8 | Low | 62 | Low | 152 Ų | 152 | 79.1 Ų | 79.1 | 67% | 0.667 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -63.7 | -45.8 | 176.5 | -172.9 | -98.9 | 0 | 0 | 0 | 111.8 | Q27 K33 G34 V35 | Q27-F31 VanDerWaalsContact O-CB 3.24Å; Q27-F31 WeakPolarHBondContact O-CB 3.36Å; Q27-F31 PolarHBondContact O-N 3.28Å; F31-K33 PolarHBondContact O-N 3.3Å; F31-G34 PolarHBondContact O-N 3.45Å; F31-V35 HydrophobicContact CD1-CG2 4.05Å; F31-V35 HydrophobicContact CE1-CG2 3.72Å; F31-V35 HydrophobicContact CE2-CG2 4.43Å; F31-V35 HydrophobicContact CZ-CG2 3.93Å; F31-V35 WeakPolarHBondContact O-CG2 3.48Å; F31-V35 PolarHBondContact O-N 3.05Å |
| 32 | M | 67.7 | Low | 63.2 | Low | 128 Ų | 128 | 80.1 Ų | 80.1 | 63% | 0.631 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -67.7 | -37.1 | -178.4 | -163.9 | 157 | 59.4 | 0 | 0 | 112.2 | S28 H29 F36 | S28-M32 WeakPolarHBondContact O-CB 3.16Å; S28-M32 PolarHBondContact O-N 2.89Å; H29-M32 PolarHBondContact O-N 3.41Å; M32-F36 VanDerWaalsContact O-CB 3.24Å; M32-F36 WeakPolarHBondContact O-CB 3.38Å; M32-F36 PolarHBondContact O-N 2.98Å |
| 33 | K | 64.3 | Low | 64.6 | Low | 80 Ų | 80 | 79.3 Ų | 79.3 | 35% | 0.348 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.1 | -39.4 | 172.1 | -168.3 | 173.4 | -176.7 | 171.2 | 0 | 112 | H29 F31 T37 | H29-K33 VanDerWaalsContact O-CB 3.25Å; H29-K33 WeakPolarHBondContact O-CB 3.12Å; H29-K33 PolarHBondContact O-N 3.02Å; F31-K33 PolarHBondContact O-N 3.3Å; K33-T37 WeakPolarHBondContact O-CB 3.49Å; K33-T37 VanDerWaalsContact O-CG2 3.25Å; K33-T37 WeakPolarHBondContact O-CG2 3.38Å; K33-T37 PolarHBondContact O-N 2.83Å; K33-T37 PolarHBondContact O-OG1 2.87Å |
| 34 | G | 63.1 | Low | 66.2 | Low | 19 Ų | 19 | 79 Ų | 79 | 20% | 0.196 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -62.6 | -49 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A30 F31 F36 T37 F38 | A30-G34 PolarHBondContact O-N 3.46Å; F31-G34 PolarHBondContact O-N 3.45Å; G34-F36 PolarHBondContact O-N 2.81Å; G34-T37 PolarHBondContact O-N 3.44Å; G34-T37 PolarHBondContact O-OG1 2.93Å; G34-F38 VanDerWaalsContact O-CB 3.26Å; G34-F38 WeakPolarHBondContact O-CB 3.34Å; G34-F38 PolarHBondContact O-N 3.41Å |
| 35 | V | 73.9 | Confident | 67.2 | Low | 67 Ų | 67 | 78.7 Ų | 78.7 | 41% | 0.406 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 177.3 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | F31 F38 V39 | F31-V35 HydrophobicContact CD1-CG2 4.05Å; F31-V35 HydrophobicContact CE1-CG2 3.72Å; F31-V35 HydrophobicContact CE2-CG2 4.43Å; F31-V35 HydrophobicContact CZ-CG2 3.93Å; F31-V35 WeakPolarHBondContact O-CG2 3.48Å; F31-V35 PolarHBondContact O-N 3.05Å; V35-F38 PolarHBondContact O-N 2.95Å; V35-V39 HydrophobicContact CG1-CG2 4.33Å; V35-V39 VanDerWaalsContact O-CG2 3.31Å; V35-V39 WeakPolarHBondContact O-CG2 3.36Å; V35-V39 PolarHBondContact O-N 3.1Å |
| 36 | F | 72.8 | Confident | 68.1 | Low | 145 Ų | 145 | 82.7 Ų | 82.7 | 64% | 0.636 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62.1 | -49.3 | 178.9 | -173 | -95.8 | 0 | 0 | 0 | 111.7 | M32 G34 F38 V39 T40 | M32-F36 VanDerWaalsContact O-CB 3.24Å; M32-F36 WeakPolarHBondContact O-CB 3.38Å; M32-F36 PolarHBondContact O-N 2.98Å; G34-F36 PolarHBondContact O-N 2.81Å; F36-F38 VanDerWaalsContact C-N 3.3Å; F36-F38 PolarHBondContact O-N 2.88Å; F36-V39 PolarHBondContact O-N 2.97Å; F36-T40 WeakPolarHBondContact O-CB 3.29Å; F36-T40 PolarHBondContact O-N 2.8Å; F36-T40 PolarHBondContact O-OG1 3Å |
| 37 | T | 70.6 | Confident | 69.3 | Low | 79 Ų | 79 | 84 Ų | 84 | 49% | 0.485 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.6 | -34.1 | 177.8 | 54 | 0 | 0 | 0 | 0 | 112.6 | K33 G34 G41 | K33-T37 WeakPolarHBondContact O-CB 3.49Å; K33-T37 VanDerWaalsContact O-CG2 3.25Å; K33-T37 WeakPolarHBondContact O-CG2 3.38Å; K33-T37 PolarHBondContact O-N 2.83Å; K33-T37 PolarHBondContact O-OG1 2.87Å; G34-T37 PolarHBondContact O-N 3.44Å; G34-T37 PolarHBondContact O-OG1 2.93Å; T37-G41 WeakPolarHBondContact O-CA 3.46Å; T37-G41 PolarHBondContact O-N 3.17Å |
| 38 | F | 72.6 | Confident | 70.4 | Confident | 132 Ų | 132 | 83.2 Ų | 83.2 | 58% | 0.579 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -65.8 | -48.4 | 174.1 | -175.1 | -99.5 | 0 | 0 | 0 | 111.7 | G34 V35 F36 G41 T42 | G34-F38 VanDerWaalsContact O-CB 3.26Å; G34-F38 WeakPolarHBondContact O-CB 3.34Å; G34-F38 PolarHBondContact O-N 3.41Å; V35-F38 PolarHBondContact O-N 2.95Å; F36-F38 VanDerWaalsContact C-N 3.3Å; F36-F38 PolarHBondContact O-N 2.88Å; F38-G41 PolarHBondContact O-N 3.37Å; F38-T42 HydrophobicContact CD1-CG2 4.48Å; F38-T42 HydrophobicContact CE1-CG2 4.09Å; F38-T42 HydrophobicContact CE2-CG2 4.15Å; F38-T42 HydrophobicContact CZ-CG2 3.92Å; F38-T42 WeakPolarHBondContact O-CB 3.23Å; F38-T42 WeakPolarHBondContact O-CG2 3.18Å; F38-T42 PolarHBondContact O-N 3.37Å; F38-T42 PolarHBondContact O-OG1 3.34Å |
| 39 | V | 76.3 | Confident | 71.3 | Confident | 89 Ų | 89 | 82.7 Ų | 82.7 | 54% | 0.539 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.1 | -45.7 | 178.9 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | V35 F36 T42 G43 | V35-V39 HydrophobicContact CG1-CG2 4.33Å; V35-V39 VanDerWaalsContact O-CG2 3.31Å; V35-V39 WeakPolarHBondContact O-CG2 3.36Å; V35-V39 PolarHBondContact O-N 3.1Å; F36-V39 PolarHBondContact O-N 2.97Å; V39-T42 WeakPolarHBondContact CA-OG1 3.26Å; V39-T42 PolarHBondContact O-OG1 2.89Å; V39-G43 PolarHBondContact O-N 2.91Å |
| 40 | T | 78.6 | Confident | 71.9 | Confident | 58 Ų | 58 | 84.6 Ų | 84.6 | 36% | 0.356 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.7 | -42.6 | 177 | -53.1 | 0 | 0 | 0 | 0 | 111.5 | F36 G43 M44 | F36-T40 WeakPolarHBondContact O-CB 3.29Å; F36-T40 PolarHBondContact O-N 2.8Å; F36-T40 PolarHBondContact O-OG1 3Å; T40-G43 PolarHBondContact O-N 3.23Å; T40-M44 WeakPolarHBondContact O-CB 3.46Å; T40-M44 PolarHBondContact O-N 3.35Å |
| 41 | G | 74.9 | Confident | 72.6 | Confident | 38 Ų | 38 | 91.3 Ų | 91.3 | 39% | 0.392 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.3 | -42.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T37 F38 A45 | T37-G41 WeakPolarHBondContact O-CA 3.46Å; T37-G41 PolarHBondContact O-N 3.17Å; F38-G41 PolarHBondContact O-N 3.37Å; G41-A45 WeakPolarHBondContact O-CB 3.25Å; G41-A45 PolarHBondContact O-N 2.89Å |
| 42 | T | 75.8 | Confident | 72.7 | Confident | 61 Ų | 61 | 87.5 Ų | 87.5 | 37% | 0.374 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.5 | -39.3 | 173.9 | 43.7 | 0 | 0 | 0 | 0 | 111.9 | F38 V39 A45 F46 | F38-T42 HydrophobicContact CD1-CG2 4.48Å; F38-T42 HydrophobicContact CE1-CG2 4.09Å; F38-T42 HydrophobicContact CE2-CG2 4.15Å; F38-T42 HydrophobicContact CZ-CG2 3.92Å; F38-T42 WeakPolarHBondContact O-CB 3.23Å; F38-T42 WeakPolarHBondContact O-CG2 3.18Å; F38-T42 PolarHBondContact O-N 3.37Å; F38-T42 PolarHBondContact O-OG1 3.34Å; V39-T42 WeakPolarHBondContact CA-OG1 3.26Å; V39-T42 PolarHBondContact O-OG1 2.89Å; T42-A45 PolarHBondContact O-N 3.5Å; T42-F46 WeakPolarHBondContact O-CB 3.42Å; T42-F46 PolarHBondContact O-N 3.34Å |
| 43 | G | 79.9 | Confident | 72.3 | Confident | 46 Ų | 46 | 86.3 Ų | 86.3 | 47% | 0.474 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62 | -46.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V39 T40 G47 | V39-G43 PolarHBondContact O-N 2.91Å; T40-G43 PolarHBondContact O-N 3.23Å; G43-G47 PolarHBondContact O-N 2.9Å |
| 44 | M | 78.5 | Confident | 72.4 | Confident | 144 Ų | 144 | 93.4 Ų | 93.4 | 71% | 0.709 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.8 | -44.8 | 175.2 | -81 | -175.4 | 167.5 | 0 | 0 | 112.1 | T40 G47 L48 | T40-M44 WeakPolarHBondContact O-CB 3.46Å; T40-M44 PolarHBondContact O-N 3.35Å; M44-G47 PolarHBondContact O-N 2.87Å; M44-L48 VanDerWaalsContact O-CB 3.29Å; M44-L48 WeakPolarHBondContact O-CB 3.41Å; M44-L48 PolarHBondContact O-N 2.69Å |
| 45 | A | 73.1 | Confident | 72.1 | Confident | 46 Ų | 46 | 101 Ų | 101 | 38% | 0.38 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.9 | -39.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G41 T42 L48 Q49 | G41-A45 WeakPolarHBondContact O-CB 3.25Å; G41-A45 PolarHBondContact O-N 2.89Å; T42-A45 PolarHBondContact O-N 3.5Å; A45-L48 PolarHBondContact O-N 3.49Å; A45-Q49 WeakPolarHBondContact O-CB 3.5Å; A45-Q49 VanDerWaalsContact O-CG 3.26Å; A45-Q49 WeakPolarHBondContact O-CG 3.37Å; A45-Q49 PolarHBondContact O-N 2.65Å |
| 46 | F | 74 | Confident | 71.3 | Confident | 138 Ų | 138 | 104.8 Ų | 104.8 | 61% | 0.605 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.1 | -42.6 | 176.9 | -169.6 | -99.4 | 0 | 0 | 0 | 111.6 | T42 Q49 M50 | T42-F46 WeakPolarHBondContact O-CB 3.42Å; T42-F46 PolarHBondContact O-N 3.34Å; F46-Q49 PolarHBondContact O-N 2.88Å; F46-M50 HydrophobicContact CE1-SD 4.29Å; F46-M50 VanDerWaalsContact O-CB 3.3Å; F46-M50 WeakPolarHBondContact O-CB 3.47Å; F46-M50 PolarHBondContact O-N 3.25Å |
| 47 | G | 79.3 | Confident | 70.6 | Confident | 43 Ų | 43 | 103.5 Ų | 103.5 | 44% | 0.443 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G43 M44 M50 F51 | G43-G47 PolarHBondContact O-N 2.9Å; M44-G47 PolarHBondContact O-N 2.87Å; G47-M50 PolarHBondContact O-N 3.16Å; G47-F51 PolarHBondContact O-N 2.84Å |
| 48 | L | 76.5 | Confident | 69.9 | Low | 105 Ų | 105 | 107.9 Ų | 107.9 | 55% | 0.55 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68 | -39.6 | 176.7 | -170.6 | 64.9 | 0 | 0 | 0 | 111.8 | M44 A45 F51 I52 | M44-L48 VanDerWaalsContact O-CB 3.29Å; M44-L48 WeakPolarHBondContact O-CB 3.41Å; M44-L48 PolarHBondContact O-N 2.69Å; A45-L48 PolarHBondContact O-N 3.49Å; L48-F51 PolarHBondContact O-N 2.98Å; L48-I52 HydrophobicContact CD1-CD1 4.1Å; L48-I52 HydrophobicContact CD2-CD1 4.43Å; L48-I52 HydrophobicContact CG-CD1 3.83Å; L48-I52 WeakPolarHBondContact O-CB 3.31Å; L48-I52 WeakPolarHBondContact O-CG1 2.99Å; L48-I52 PolarHBondContact O-N 3.39Å |
| 49 | Q | 68.5 | Low | 69.2 | Low | 54 Ų | 54 | 105.4 Ų | 105.4 | 25% | 0.252 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 173.4 | -85 | 173.2 | -20.2 | 0 | 0 | 111.6 | A45 F46 F51 I52 Q53 L60 | A45-Q49 WeakPolarHBondContact O-CB 3.5Å; A45-Q49 VanDerWaalsContact O-CG 3.26Å; A45-Q49 WeakPolarHBondContact O-CG 3.37Å; A45-Q49 PolarHBondContact O-N 2.65Å; F46-Q49 PolarHBondContact O-N 2.88Å; Q49-F51 VanDerWaalsContact C-N 3.3Å; Q49-F51 PolarHBondContact O-N 2.9Å; Q49-I52 PolarHBondContact O-N 3Å; Q49-Q53 VanDerWaalsContact O-CB 3.22Å; Q49-Q53 WeakPolarHBondContact O-CB 3.34Å; Q49-Q53 VanDerWaalsContact O-CG 3.32Å; Q49-Q53 WeakPolarHBondContact O-CG 3.38Å; Q49-Q53 PolarHBondContact O-N 3.47Å; Q49-L60 HydrophobicContact CB-CD2 4.4Å; Q49-L60 HydrophobicContact CG-CD2 3.86Å |
| 50 | M | 69.8 | Low | 68.4 | Low | 135 Ų | 135 | 105 Ų | 105 | 67% | 0.665 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.4 | -32.3 | 177.7 | -165.5 | 160.2 | -176.8 | 0 | 0 | 112 | F46 G47 | F46-M50 HydrophobicContact CE1-SD 4.29Å; F46-M50 VanDerWaalsContact O-CB 3.3Å; F46-M50 WeakPolarHBondContact O-CB 3.47Å; F46-M50 PolarHBondContact O-N 3.25Å; G47-M50 PolarHBondContact O-N 3.16Å |
| 51 | F | 71.1 | Confident | 67.6 | Low | 159 Ų | 159 | 109.8 Ų | 109.8 | 70% | 0.697 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -74 | -41.4 | 173.8 | -170 | -98.9 | 0 | 0 | 0 | 112.7 | G47 L48 Q49 R54 | G47-F51 PolarHBondContact O-N 2.84Å; L48-F51 PolarHBondContact O-N 2.98Å; Q49-F51 VanDerWaalsContact C-N 3.3Å; Q49-F51 PolarHBondContact O-N 2.9Å; F51-R54 VanDerWaalsContact O-CB 3.3Å; F51-R54 WeakPolarHBondContact O-CB 3.22Å; F51-R54 PolarHBondContact O-N 3.33Å |
| 52 | I | 66.3 | Low | 67.2 | Low | 72 Ų | 72 | 117.6 Ų | 117.6 | 37% | 0.369 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -75.3 | -39.6 | 179.8 | -72.4 | 172.7 | 0 | 0 | 0 | 111.8 | L48 Q49 R54 K55 F56 | L48-I52 HydrophobicContact CD1-CD1 4.1Å; L48-I52 HydrophobicContact CD2-CD1 4.43Å; L48-I52 HydrophobicContact CG-CD1 3.83Å; L48-I52 WeakPolarHBondContact O-CB 3.31Å; L48-I52 WeakPolarHBondContact O-CG1 2.99Å; L48-I52 PolarHBondContact O-N 3.39Å; Q49-I52 PolarHBondContact O-N 3Å; I52-R54 PolarHBondContact O-N 3.49Å; I52-K55 CarbonylContact O-C 3.54Å; I52-K55 WeakPolarHBondContact O-CA 3.3Å; I52-K55 PolarHBondContact O-N 2.62Å; I52-F56 PolarHBondContact O-N 2.91Å |
| 53 | Q | 58.9 | Low | 66.9 | Low | 103 Ų | 103 | 117.8 Ų | 117.8 | 48% | 0.481 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.6 | -22.5 | 174 | -78.6 | -150.4 | -14.6 | 0 | 0 | 112.8 | Q49 K55 | Q49-Q53 VanDerWaalsContact O-CB 3.22Å; Q49-Q53 WeakPolarHBondContact O-CB 3.34Å; Q49-Q53 VanDerWaalsContact O-CG 3.32Å; Q49-Q53 WeakPolarHBondContact O-CG 3.38Å; Q49-Q53 PolarHBondContact O-N 3.47Å; Q53-K55 PolarHBondContact O-N 3.14Å |
| 54 | R | 66.1 | Low | 66.4 | Low | 229 Ų | 229 | 121.3 Ų | 121.3 | 86% | 0.864 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -16.1 | 170.3 | -151.7 | 174.3 | -177.1 | 141 | 0.4 | 112.8 | F51 I52 | F51-R54 VanDerWaalsContact O-CB 3.3Å; F51-R54 WeakPolarHBondContact O-CB 3.22Å; F51-R54 PolarHBondContact O-N 3.33Å; I52-R54 PolarHBondContact O-N 3.49Å |
| 55 | K | 57.8 | Low | 66.2 | Low | 178 Ų | 178 | 120 Ų | 120 | 77% | 0.774 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.3 | -37.3 | -175.2 | -158.8 | 106.4 | -178.5 | -177.3 | 0 | 114 | I52 Q53 | I52-K55 CarbonylContact O-C 3.54Å; I52-K55 WeakPolarHBondContact O-CA 3.3Å; I52-K55 PolarHBondContact O-N 2.62Å; Q53-K55 PolarHBondContact O-N 3.14Å |
| 56 | F | 56.2 | Low | 66.2 | Low | 146 Ų | 146 | 121.9 Ų | 121.9 | 64% | 0.64 | 59% | 0.592 | S | S | * | * | trans | -150.1 | 122.2 | -179.1 | -94.1 | -88.9 | 0 | 0 | 0 | 111.1 | I52 Y58 | I52-F56 PolarHBondContact O-N 2.91Å; F56-Y58 PolarHBondContact O-N 3.31Å | ||
| 57 | P | 57.1 | Low | 66.1 | Low | 118 Ų | 118 | 118.3 Ų | 118.3 | 77% | 0.766 | 59% | 0.588 | S | S | * | * | trans | -75 | 93.9 | 178.6 | 29.6 | -32.7 | 0 | 0 | 0 | 110.8 | ||||
| 58 | Y | 56.4 | Low | 65.9 | Low | 171 Ų | 171 | 120.4 Ų | 120.4 | 67% | 0.671 | 59% | 0.592 | S | S | * | * | trans | -89.5 | 138.7 | 175.6 | -123.7 | -97.8 | 0 | 0 | 0 | 111.4 | F56 L60 | F56-Y58 PolarHBondContact O-N 3.31Å; Y58-L60 PolarHBondContact O-N 2.97Å; Y58-L60 VanDerWaalsContact O-N 3.13Å | ||
| 59 | P | 58.2 | Low | 66 | Low | 80 Ų | 80 | 119.3 Ų | 119.3 | 52% | 0.519 | 59% | 0.589 | S | S | . | * | trans | -70.7 | 108.9 | -177.8 | 27.3 | -33.4 | 0 | 0 | 0 | 111.4 | Q61 | P59-Q61 PolarHBondContact O-N 2.94Š| ||
| 60 | L | 59.6 | Low | 66.4 | Low | 80 Ų | 80 | 119.3 Ų | 119.3 | 42% | 0.419 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -55.9 | -21.7 | -174.9 | -63.5 | 169.1 | 0 | 0 | 0 | 114.7 | Q49 Y58 W62 S63 L64 | Q49-L60 HydrophobicContact CB-CD2 4.4Å; Q49-L60 HydrophobicContact CG-CD2 3.86Å; Y58-L60 PolarHBondContact O-N 2.97Å; Y58-L60 VanDerWaalsContact O-N 3.13Å; L60-W62 PolarHBondContact O-N 3.19Å; L60-S63 PolarHBondContact O-N 3.07Å; L60-L64 PolarHBondContact O-N 2.87Å |
| 61 | Q | 61.6 | Low | 66.5 | Low | 159 Ų | 159 | 114.5 Ų | 114.5 | 74% | 0.743 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.8 | -38.1 | -173.7 | -66.1 | 176.8 | -41.3 | 0 | 0 | 113.2 | P59 L65 | P59-Q61 PolarHBondContact O-N 2.94Å; Q61-L65 PolarHBondContact O-N 3.35Å |
| 62 | W | 67.6 | Low | 66.6 | Low | 203 Ų | 203 | 110.7 Ų | 110.7 | 77% | 0.769 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -73.2 | -40.1 | -179.7 | -95.1 | 87.5 | 0 | 0 | 0 | 112.6 | L60 L64 L65 V66 | L60-W62 PolarHBondContact O-N 3.19Å; W62-L64 PolarHBondContact O-N 3.37Å; W62-L65 PolarHBondContact O-N 3.28Å; W62-V66 HydrophobicContact CE3-CG2 4.49Å; W62-V66 WeakPolarHBondContact O-CG2 3.3Å; W62-V66 PolarHBondContact O-N 3.42Å; W62-V66 VanDerWaalsContact O-N 3.13Å |
| 63 | S | 68 | Low | 66.8 | Low | 64 Ų | 64 | 112 Ų | 112 | 45% | 0.448 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.9 | -37.7 | 177.9 | -64.4 | 0 | 0 | 0 | 0 | 112.5 | L60 A67 | L60-S63 PolarHBondContact O-N 3.07Å; S63-A67 WeakPolarHBondContact O-CB 3.5Å; S63-A67 PolarHBondContact O-N 3.33Å |
| 64 | L | 69.6 | Low | 67.3 | Low | 120 Ų | 120 | 110.2 Ų | 110.2 | 63% | 0.628 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -67 | -42.9 | 179.4 | -157.2 | 87.7 | 0 | 0 | 0 | 111.5 | L60 W62 A67 V68 | L60-L64 PolarHBondContact O-N 2.87Å; W62-L64 PolarHBondContact O-N 3.37Å; L64-A67 PolarHBondContact O-N 2.88Å; L64-V68 WeakPolarHBondContact O-CG2 3.35Å; L64-V68 PolarHBondContact O-N 2.92Å |
| 65 | L | 73.7 | Confident | 66.9 | Low | 118 Ų | 118 | 101.6 Ų | 101.6 | 62% | 0.618 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.8 | -42.8 | -178.2 | -148.1 | 156.1 | 0 | 0 | 0 | 110.9 | Q61 W62 V68 V69 | Q61-L65 PolarHBondContact O-N 3.35Å; W62-L65 PolarHBondContact O-N 3.28Å; L65-V68 PolarHBondContact O-N 3.23Å; L65-V69 HydrophobicContact CD2-CG2 4.08Å; L65-V69 WeakPolarHBondContact O-CG2 3.24Å; L65-V69 PolarHBondContact O-N 2.92Å |
| 66 | V | 73.9 | Confident | 67.1 | Low | 85 Ų | 85 | 99.6 Ų | 99.6 | 52% | 0.515 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.2 | -41.7 | 174 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | W62 V69 A70 | W62-V66 HydrophobicContact CE3-CG2 4.49Å; W62-V66 WeakPolarHBondContact O-CG2 3.3Å; W62-V66 PolarHBondContact O-N 3.42Å; W62-V66 VanDerWaalsContact O-N 3.13Å; V66-V69 PolarHBondContact O-N 3.46Å; V66-A70 WeakPolarHBondContact O-CB 3.35Å; V66-A70 PolarHBondContact O-N 3.35Å |
| 67 | A | 71.6 | Confident | 67.5 | Low | 63 Ų | 63 | 94.2 Ų | 94.2 | 52% | 0.521 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S63 L64 G71 | S63-A67 WeakPolarHBondContact O-CB 3.5Å; S63-A67 PolarHBondContact O-N 3.33Å; L64-A67 PolarHBondContact O-N 2.88Å; A67-G71 WeakPolarHBondContact O-CA 3.39Å; A67-G71 PolarHBondContact O-N 2.96Å |
| 68 | V | 76.6 | Confident | 67.5 | Low | 87 Ų | 87 | 90.1 Ų | 90.1 | 53% | 0.527 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67 | -46.8 | 177.8 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | L64 L65 G71 S72 | L64-V68 WeakPolarHBondContact O-CG2 3.35Å; L64-V68 PolarHBondContact O-N 2.92Å; L65-V68 PolarHBondContact O-N 3.23Å; V68-G71 PolarHBondContact O-N 2.98Å; V68-S72 WeakPolarHBondContact O-CB 3.25Å; V68-S72 PolarHBondContact O-N 3.06Å |
| 69 | V | 76.6 | Confident | 67.5 | Low | 81 Ų | 81 | 84.7 Ų | 84.7 | 49% | 0.491 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.7 | -47.3 | 179.5 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | L65 V66 G71 S72 V73 | L65-V69 HydrophobicContact CD2-CG2 4.08Å; L65-V69 WeakPolarHBondContact O-CG2 3.24Å; L65-V69 PolarHBondContact O-N 2.92Å; V66-V69 PolarHBondContact O-N 3.46Å; V69-G71 PolarHBondContact O-N 2.95Å; V69-S72 PolarHBondContact O-N 2.98Å; V69-V73 WeakPolarHBondContact O-CG2 3.46Å; V69-V73 PolarHBondContact O-N 3.47Å |
| 70 | A | 77.5 | Confident | 67.4 | Low | 55 Ų | 55 | 87.9 Ų | 87.9 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V66 S72 V73 A74 | V66-A70 WeakPolarHBondContact O-CB 3.35Å; V66-A70 PolarHBondContact O-N 3.35Å; A70-S72 VanDerWaalsContact C-N 3.34Å; A70-S72 PolarHBondContact O-N 3.07Å; A70-V73 PolarHBondContact O-N 2.96Å; A70-A74 WeakPolarHBondContact O-CB 3.31Å; A70-A74 PolarHBondContact O-N 2.85Å |
| 71 | G | 72.8 | Confident | 67.5 | Low | 33 Ų | 33 | 87.5 Ų | 87.5 | 34% | 0.34 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | A67 V68 V69 S75 | A67-G71 WeakPolarHBondContact O-CA 3.39Å; A67-G71 PolarHBondContact O-N 2.96Å; V68-G71 PolarHBondContact O-N 2.98Å; V69-G71 PolarHBondContact O-N 2.95Å; G71-S75 WeakPolarHBondContact O-CB 3.49Å; G71-S75 PolarHBondContact O-N 2.84Å; G71-S75 PolarHBondContact O-OG 3.21Å |
| 72 | S | 73.1 | Confident | 67.2 | Low | 79 Ų | 79 | 81.8 Ų | 81.8 | 55% | 0.552 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.3 | -48.9 | 177.7 | -171.7 | 0 | 0 | 0 | 0 | 112.1 | V68 V69 A70 S75 Y76 | V68-S72 WeakPolarHBondContact O-CB 3.25Å; V68-S72 PolarHBondContact O-N 3.06Å; V69-S72 PolarHBondContact O-N 2.98Å; A70-S72 VanDerWaalsContact C-N 3.34Å; A70-S72 PolarHBondContact O-N 3.07Å; S72-S75 PolarHBondContact O-N 2.58Å; S72-Y76 WeakPolarHBondContact O-CB 3.29Å; S72-Y76 PolarHBondContact O-N 3.04Å |
| 73 | V | 71.1 | Confident | 66.7 | Low | 101 Ų | 101 | 74.7 Ų | 74.7 | 61% | 0.612 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -65 | -42.9 | 179.1 | 176.5 | 0 | 0 | 0 | 0 | 111.2 | V69 A70 Y76 G77 | V69-V73 WeakPolarHBondContact O-CG2 3.46Å; V69-V73 PolarHBondContact O-N 3.47Å; A70-V73 PolarHBondContact O-N 2.96Å; V73-Y76 PolarHBondContact O-N 2.92Å; V73-G77 PolarHBondContact O-N 3.48Å |
| 74 | A | 68.4 | Low | 66 | Low | 64 Ų | 64 | 78.9 Ų | 78.9 | 53% | 0.529 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A70 Y76 G77 V78 | A70-A74 WeakPolarHBondContact O-CB 3.31Å; A70-A74 PolarHBondContact O-N 2.85Å; A74-Y76 VanDerWaalsContact C-N 3.35Å; A74-Y76 PolarHBondContact O-N 3.43Å; A74-G77 PolarHBondContact O-N 3.08Å; A74-V78 PolarHBondContact O-N 3.26Å |
| 75 | S | 56.7 | Low | 65.5 | Low | 48 Ų | 48 | 77.4 Ų | 77.4 | 34% | 0.336 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 176.2 | -62.1 | 0 | 0 | 0 | 0 | 111.5 | G71 S72 T79 | G71-S75 WeakPolarHBondContact O-CB 3.49Å; G71-S75 PolarHBondContact O-N 2.84Å; G71-S75 PolarHBondContact O-OG 3.21Å; S72-S75 PolarHBondContact O-N 2.58Å; S75-T79 VanDerWaalsContact O-CB 3.23Å; S75-T79 WeakPolarHBondContact O-CB 3.41Å; S75-T79 PolarHBondContact O-N 3.3Å; S75-T79 PolarHBondContact O-OG1 3.47Å |
| 76 | Y | 62.5 | Low | 64.6 | Low | 136 Ų | 136 | 73.5 Ų | 73.5 | 53% | 0.533 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 176.5 | -168.5 | -98.3 | 0 | 0 | 0 | 111.9 | S72 V73 A74 T79 R80 | S72-Y76 WeakPolarHBondContact O-CB 3.29Å; S72-Y76 PolarHBondContact O-N 3.04Å; V73-Y76 PolarHBondContact O-N 2.92Å; A74-Y76 VanDerWaalsContact C-N 3.35Å; A74-Y76 PolarHBondContact O-N 3.43Å; Y76-T79 PolarHBondContact O-N 3.28Å; Y76-R80 HydrophobicContact CD1-CG 4.04Å; Y76-R80 HydrophobicContact CE1-CG 3.73Å; Y76-R80 WeakPolarHBondContact O-CB 3.24Å; Y76-R80 WeakPolarHBondContact O-CG 3.45Å; Y76-R80 PolarHBondContact O-N 3.41Å; Y76-R80 PolarHBondContact OH-NE 3.32Å; Y76-R80 VanDerWaalsContact OH-NE 3.1Å; Y76-R80 PolarHBondContact OH-NH2 2.9Å |
| 77 | G | 65.1 | Low | 63.7 | Low | 34 Ų | 34 | 73.1 Ų | 73.1 | 35% | 0.351 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.1 | -46.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V73 A74 T79 R80 V81 | V73-G77 PolarHBondContact O-N 3.48Å; A74-G77 PolarHBondContact O-N 3.08Å; G77-T79 PolarHBondContact O-N 2.81Å; G77-R80 PolarHBondContact O-N 2.89Å; G77-V81 VanDerWaalsContact O-CG2 3.31Å; G77-V81 WeakPolarHBondContact O-CG2 3.13Å; G77-V81 PolarHBondContact O-N 3.37Å |
| 78 | V | 56.3 | Low | 63 | Low | 32 Ų | 32 | 75 Ų | 75 | 19% | 0.194 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 175.6 | 119.7 | 0 | 0 | 0 | 0 | 110.7 | A74 R80 V81 E82 | A74-V78 PolarHBondContact O-N 3.26Å; V78-R80 VanDerWaalsContact C-N 3.31Å; V78-R80 PolarHBondContact O-N 3.14Å; V78-V81 PolarHBondContact O-N 3.46Å; V78-E82 WeakPolarHBondContact O-CB 3.31Å; V78-E82 VanDerWaalsContact O-CG 3.29Å; V78-E82 WeakPolarHBondContact O-CG 3.29Å; V78-E82 PolarHBondContact O-N 2.85Å |
| 79 | T | 56.8 | Low | 61.9 | Low | 56 Ų | 56 | 74.9 Ų | 74.9 | 34% | 0.344 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.9 | -37.7 | -179.3 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | S75 Y76 G77 S83 | S75-T79 VanDerWaalsContact O-CB 3.23Å; S75-T79 WeakPolarHBondContact O-CB 3.41Å; S75-T79 PolarHBondContact O-N 3.3Å; S75-T79 PolarHBondContact O-OG1 3.47Å; Y76-T79 PolarHBondContact O-N 3.28Å; G77-T79 PolarHBondContact O-N 2.81Å; T79-S83 WeakPolarHBondContact O-CB 3.49Å; T79-S83 PolarHBondContact O-N 3.47Å; T79-S83 PolarHBondContact O-OG 3Å |
| 80 | R | 57 | Low | 60.7 | Low | 147 Ų | 147 | 75.1 Ų | 75.1 | 56% | 0.555 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -67.7 | -41.2 | 175.1 | -80.7 | -74.2 | -163.3 | 161.2 | 3.9 | 112.8 | Y76 G77 V78 K84 | Y76-R80 HydrophobicContact CD1-CG 4.04Å; Y76-R80 HydrophobicContact CE1-CG 3.73Å; Y76-R80 WeakPolarHBondContact O-CB 3.24Å; Y76-R80 WeakPolarHBondContact O-CG 3.45Å; Y76-R80 PolarHBondContact O-N 3.41Å; Y76-R80 PolarHBondContact OH-NE 3.32Å; Y76-R80 VanDerWaalsContact OH-NE 3.1Å; Y76-R80 PolarHBondContact OH-NH2 2.9Å; G77-R80 PolarHBondContact O-N 2.89Å; V78-R80 VanDerWaalsContact C-N 3.31Å; V78-R80 PolarHBondContact O-N 3.14Å; R80-K84 PolarHBondContact O-N 2.99Å; R80-K84 VanDerWaalsContact O-N 3.17Å |
| 81 | V | 60.8 | Low | 59.4 | Low | 72 Ų | 72 | 77.7 Ų | 77.7 | 44% | 0.436 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -71.2 | -43 | 179.5 | 172.9 | 0 | 0 | 0 | 0 | 111 | G77 V78 K84 K85 | G77-V81 VanDerWaalsContact O-CG2 3.31Å; G77-V81 WeakPolarHBondContact O-CG2 3.13Å; G77-V81 PolarHBondContact O-N 3.37Å; V78-V81 PolarHBondContact O-N 3.46Å; V81-K84 PolarHBondContact O-N 3.42Å; V81-K85 PolarHBondContact O-N 3.01Å |
| 82 | E | 56 | Low | 58.5 | Low | 39 Ų | 39 | 78.3 Ų | 78.3 | 18% | 0.182 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -68.2 | -37.5 | 176.4 | -60.7 | -59 | 162.8 | 0 | 0 | 111.3 | V78 K84 K85 C86 | V78-E82 WeakPolarHBondContact O-CB 3.31Å; V78-E82 VanDerWaalsContact O-CG 3.29Å; V78-E82 WeakPolarHBondContact O-CG 3.29Å; V78-E82 PolarHBondContact O-N 2.85Å; E82-K84 VanDerWaalsContact C-N 3.31Å; E82-K84 PolarHBondContact O-N 2.84Å; E82-K85 WeakPolarHBondContact O-CB 3.34Å; E82-K85 PolarHBondContact O-N 3.21Å; E82-C86 PolarHBondContact O-N 3.07Å |
| 83 | S | 57.2 | Low | 57.5 | Low | 55 Ų | 55 | 80.7 Ų | 80.7 | 39% | 0.385 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.6 | -38.8 | 172.4 | -73.3 | 0 | 0 | 0 | 0 | 113 | T79 K85 S87 | T79-S83 WeakPolarHBondContact O-CB 3.49Å; T79-S83 PolarHBondContact O-N 3.47Å; T79-S83 PolarHBondContact O-OG 3Å; S83-K85 VanDerWaalsContact C-N 3.29Å; S83-K85 PolarHBondContact O-N 2.98Å; S83-S87 WeakPolarHBondContact O-CB 3.38Å; S83-S87 PolarHBondContact O-N 3.39Å; S83-S87 VanDerWaalsContact O-N 3.07Å |
| 84 | K | 53.5 | Low | 56.7 | Low | 151 Ų | 151 | 83 Ų | 83 | 66% | 0.657 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -66.9 | -30.4 | 175.8 | -80.6 | -174.5 | 175.1 | -177.6 | 0 | 112.6 | R80 V81 E82 N88 | R80-K84 PolarHBondContact O-N 2.99Å; R80-K84 VanDerWaalsContact O-N 3.17Å; V81-K84 PolarHBondContact O-N 3.42Å; E82-K84 VanDerWaalsContact C-N 3.31Å; E82-K84 PolarHBondContact O-N 2.84Å; K84-N88 PolarHBondContact O-N 2.84Å; K84-N88 PolarHBondContact O-ND2 3.43Å |
| 85 | K | 58.2 | Low | 56.1 | Low | 90 Ų | 90 | 84.6 Ų | 84.6 | 39% | 0.391 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -75.6 | -45.1 | 177.4 | -71.5 | 178.5 | 180 | 175.4 | 0 | 111.8 | V81 E82 S83 S87 N88 L89 | V81-K85 PolarHBondContact O-N 3.01Å; E82-K85 WeakPolarHBondContact O-CB 3.34Å; E82-K85 PolarHBondContact O-N 3.21Å; S83-K85 VanDerWaalsContact C-N 3.29Å; S83-K85 PolarHBondContact O-N 2.98Å; K85-S87 VanDerWaalsContact C-N 3.31Å; K85-S87 PolarHBondContact O-N 3Å; K85-N88 PolarHBondContact O-N 2.81Å; K85-L89 PolarHBondContact O-N 3.43Å |
| 86 | C | 54.9 | Low | 55.8 | Low | 35 Ų | 35 | 85 Ų | 85 | 24% | 0.236 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -60.8 | -40 | 174.2 | -91.7 | 0 | 0 | 0 | 0 | 112 | E22 E82 N88 L89 W90 | E22-C86 PolarHBondContact OE2-SG 3.06Å; E22-C86 VanDerWaalsContact OE2-SG 3.32Å; E82-C86 PolarHBondContact O-N 3.07Å; C86-N88 VanDerWaalsContact C-N 3.3Å; C86-N88 PolarHBondContact O-N 3.47Å; C86-L89 PolarHBondContact O-N 2.98Å; C86-W90 PolarHBondContact O-N 2.76Å |
| 87 | S | 55.6 | Low | 55 | Low | 78 Ų | 78 | 86 Ų | 86 | 55% | 0.545 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.8 | -33 | 176.7 | -172.5 | 0 | 0 | 0 | 0 | 113.6 | S83 K85 L91 | S83-S87 WeakPolarHBondContact O-CB 3.38Å; S83-S87 PolarHBondContact O-N 3.39Å; S83-S87 VanDerWaalsContact O-N 3.07Å; K85-S87 VanDerWaalsContact C-N 3.31Å; K85-S87 PolarHBondContact O-N 3Å; S87-L91 PolarHBondContact O-N 2.89Å |
| 88 | N | 55.6 | Low | 54 | Low | 101 Ų | 101 | 90.5 Ų | 90.5 | 54% | 0.54 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -75.6 | -33.9 | 175.9 | -90.3 | -77.2 | 0 | 0 | 0 | 112.1 | K84 K85 C86 L91 F92 | K84-N88 PolarHBondContact O-N 2.84Å; K84-N88 PolarHBondContact O-ND2 3.43Å; K85-N88 PolarHBondContact O-N 2.81Å; C86-N88 VanDerWaalsContact C-N 3.3Å; C86-N88 PolarHBondContact O-N 3.47Å; N88-L91 PolarHBondContact O-N 3.37Å; N88-F92 VanDerWaalsContact O-CB 3.3Å; N88-F92 WeakPolarHBondContact O-CB 3.09Å; N88-F92 PolarHBondContact O-N 3.06Å |
| 89 | L | 54.4 | Low | 53.3 | Low | 85 Ų | 85 | 93.6 Ų | 93.6 | 45% | 0.445 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69 | -38.9 | 177.1 | -145.8 | 78.2 | 0 | 0 | 0 | 111.2 | K85 C86 F92 L93 | K85-L89 PolarHBondContact O-N 3.43Å; C86-L89 PolarHBondContact O-N 2.98Å; L89-F92 HydrophobicContact CD1-CD1 4.45Å; L89-F92 CarbonylContact O-C 3.6Å; L89-F92 WeakPolarHBondContact O-CA 3.26Å; L89-F92 WeakPolarHBondContact O-CB 3.2Å; L89-F92 PolarHBondContact O-N 2.91Å; L89-F92 VanDerWaalsContact O-N 3.14Å; L89-L93 HydrophobicContact CG-CD1 4.4Å; L89-L93 WeakPolarHBondContact O-CD1 3.26Å; L89-L93 PolarHBondContact O-N 3.45Å |
| 90 | W | 51.3 | Low | 52.9 | Low | 86 Ų | 86 | 99.3 Ų | 99.3 | 33% | 0.326 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57 | -50.5 | 170.9 | -177.4 | -98.3 | 0 | 0 | 0 | 112.2 | P18 C86 F92 L93 E94 | P18-W90 VanDerWaalsContact C-CH2 3.48Å; P18-W90 HydrophobicContact CB-CH2 3.83Å; P18-W90 HydrophobicContact CB-CZ3 3.58Å; P18-W90 HydrophobicContact CG-CH2 3.42Å; P18-W90 VanDerWaalsContact CG-CH2 3.42Å; P18-W90 HydrophobicContact CG-CZ3 3.65Å; P18-W90 WeakPolarHBondContact O-CZ3 3.4Å; C86-W90 PolarHBondContact O-N 2.76Å; W90-F92 PolarHBondContact O-N 3.42Å; W90-L93 PolarHBondContact O-N 2.87Å; W90-E94 PolarHBondContact NE1-OE2 3.21Å; W90-E94 PolarHBondContact O-N 3.01Å; W90-E94 VanDerWaalsContact O-N 3.08Å |
| 91 | L | 50.2 | Low | 52.5 | Low | 109 Ų | 109 | 97.9 Ų | 97.9 | 57% | 0.571 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.2 | -36 | 175.9 | -154.8 | 101.9 | 0 | 0 | 0 | 111 | S87 N88 E94 T95 | S87-L91 PolarHBondContact O-N 2.89Å; N88-L91 PolarHBondContact O-N 3.37Å; L91-E94 PolarHBondContact O-N 2.86Å; L91-T95 WeakPolarHBondContact O-CB 3.35Å; L91-T95 PolarHBondContact O-N 3.38Å; L91-T95 PolarHBondContact O-OG1 3.4Å |
| 92 | F | 54.7 | Low | 52 | Low | 47 Ų | 47 | 102.2 Ų | 102.2 | 21% | 0.206 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -69.1 | -40.5 | 177.9 | 171.9 | -118.5 | 0 | 0 | 0 | 113.5 | N88 L89 W90 E94 T95 G96 Q97 L98 | N88-F92 VanDerWaalsContact O-CB 3.3Å; N88-F92 WeakPolarHBondContact O-CB 3.09Å; N88-F92 PolarHBondContact O-N 3.06Å; L89-F92 HydrophobicContact CD1-CD1 4.45Å; L89-F92 CarbonylContact O-C 3.6Å; L89-F92 WeakPolarHBondContact O-CA 3.26Å; L89-F92 WeakPolarHBondContact O-CB 3.2Å; L89-F92 PolarHBondContact O-N 2.91Å; L89-F92 VanDerWaalsContact O-N 3.14Å; W90-F92 PolarHBondContact O-N 3.42Å; F92-E94 VanDerWaalsContact C-N 3.33Å; F92-T95 PolarHBondContact O-N 3.18Å; F92-G96 WeakPolarHBondContact O-CA 3.43Å; F92-G96 PolarHBondContact O-N 3.27Å; F92-Q97 WeakPolarHBondContact CD2-O 3.27Å; F92-Q97 WeakPolarHBondContact CE2-O 3.27Å; F92-L98 HydrophobicContact CD1-CD1 4.05Å; F92-L98 HydrophobicContact CD2-CB 4.43Å; F92-L98 HydrophobicContact CE1-CB 4.48Å; F92-L98 HydrophobicContact CE1-CD1 3.21Å; F92-L98 HydrophobicContact CE1-CG 4.41Å; F92-L98 HydrophobicContact CE2-CB 3.59Å; F92-L98 HydrophobicContact CE2-CD1 3.9Å; F92-L98 HydrophobicContact CE2-CG 4.33Å; F92-L98 HydrophobicContact CZ-CB 3.58Å; F92-L98 HydrophobicContact CZ-CD1 3.11Å; F92-L98 HydrophobicContact CZ-CG 3.93Å |
| 93 | L | 52 | Low | 51.3 | Low | 129 Ų | 129 | 105.9 Ų | 105.9 | 68% | 0.675 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.7 | -31.8 | 174.1 | -90.3 | 122.6 | 0 | 0 | 0 | 112.8 | L89 W90 | L89-L93 HydrophobicContact CG-CD1 4.4Å; L89-L93 WeakPolarHBondContact O-CD1 3.26Å; L89-L93 PolarHBondContact O-N 3.45Å; W90-L93 PolarHBondContact O-N 2.87Å |
| 94 | E | 53.6 | Low | 50.6 | Low | 148 Ų | 148 | 108.5 Ų | 108.5 | 69% | 0.692 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -74.2 | -33 | 175.4 | -160.7 | 105.9 | -145.1 | 0 | 0 | 112.4 | W90 L91 F92 | W90-E94 PolarHBondContact NE1-OE2 3.21Å; W90-E94 PolarHBondContact O-N 3.01Å; W90-E94 VanDerWaalsContact O-N 3.08Å; L91-E94 PolarHBondContact O-N 2.86Å; F92-E94 VanDerWaalsContact C-N 3.33Å |
| 95 | T | 55.8 | Low | 50 | Low | 98 Ų | 98 | 108 Ų | 108 | 60% | 0.601 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -103.9 | -16.1 | -172.9 | -29.1 | 0 | 0 | 0 | 0 | 114.3 | L91 F92 Q97 | L91-T95 WeakPolarHBondContact O-CB 3.35Å; L91-T95 PolarHBondContact O-N 3.38Å; L91-T95 PolarHBondContact O-OG1 3.4Å; F92-T95 PolarHBondContact O-N 3.18Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; T95-Q97 PolarHBondContact O-N 3.24Å |
| 96 | G | 49.5 | Very low | 49.2 | Very low | 56 Ų | 56 | 112.8 Ų | 112.8 | 58% | 0.577 | 60% | 0.6 | S | S | * | * | trans | 69.8 | 10.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | F92 | F92-G96 WeakPolarHBondContact O-CA 3.43Å; F92-G96 PolarHBondContact O-N 3.27Å | ||
| 97 | Q | 47.1 | Very low | 48.4 | Very low | 157 Ų | 157 | 122.2 Ų | 122.2 | 73% | 0.734 | 63% | 0.631 | S | S | * | * | trans | -122.2 | 112.4 | -176.6 | -86.5 | -69 | -43.2 | 0 | 0 | 114.1 | F92 T95 P99 | F92-Q97 WeakPolarHBondContact CD2-O 3.27Å; F92-Q97 WeakPolarHBondContact CE2-O 3.27Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; T95-Q97 PolarHBondContact O-N 3.24Å; Q97-P99 VanDerWaalsContact O-CD 3.31Å; Q97-P99 WeakPolarHBondContact O-CD 3.46Å | ||
| 98 | L | 42.9 | Very low | 47.6 | Very low | 129 Ų | 129 | 123.5 Ų | 123.5 | 68% | 0.675 | 64% | 0.64 | S | S | * | * | trans | -76.6 | 112.1 | -165.4 | -168.5 | 81.1 | 0 | 0 | 0 | 109.6 | F92 K100 | F92-L98 HydrophobicContact CD1-CD1 4.05Å; F92-L98 HydrophobicContact CD2-CB 4.43Å; F92-L98 HydrophobicContact CE1-CB 4.48Å; F92-L98 HydrophobicContact CE1-CD1 3.21Å; F92-L98 HydrophobicContact CE1-CG 4.41Å; F92-L98 HydrophobicContact CE2-CB 3.59Å; F92-L98 HydrophobicContact CE2-CD1 3.9Å; F92-L98 HydrophobicContact CE2-CG 4.33Å; F92-L98 HydrophobicContact CZ-CB 3.58Å; F92-L98 HydrophobicContact CZ-CD1 3.11Å; F92-L98 HydrophobicContact CZ-CG 3.93Å; L98-K100 PolarHBondContact O-N 2.94Å; L98-K100 VanDerWaalsContact O-N 3.16Å | ||
| 99 | P | 42 | Very low | 46.6 | Very low | 97 Ų | 97 | 131.3 Ų | 131.3 | 63% | 0.63 | 67% | 0.673 | S | S | * | * | trans | -75 | 114.4 | 170.5 | 28.8 | -26.4 | 0 | 0 | 0 | 107.9 | Q97 | Q97-P99 VanDerWaalsContact O-CD 3.31Å; Q97-P99 WeakPolarHBondContact O-CD 3.46Å | ||
| 100 | K | 47.8 | Very low | 46.2 | Very low | 177 Ų | 177 | 133.7 Ų | 133.7 | 77% | 0.77 | 69% | 0.685 | S | S | * | * | trans | -56.2 | 137.9 | 169.4 | -134 | -174.6 | 161.3 | 70.6 | 0 | 109.6 | L98 | L98-K100 PolarHBondContact O-N 2.94Å; L98-K100 VanDerWaalsContact O-N 3.16Å | ||
| 101 | D | 49.2 | Very low | 45.9 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 63% | 0.626 | 70% | 0.704 | S | S | * | * | trans | 71.1 | 91.8 | 155 | -56.5 | -47.2 | 0 | 0 | 0 | 118.9 | ||||
| 102 | M | 49.4 | Very low | 45.7 | Very low | 162 Ų | 162 | 137.7 Ų | 137.7 | 80% | 0.798 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -132.1 | 12.5 | 151 | -141.8 | -155.8 | -167.5 | 0 | 0 | 113.8 | ||
| 103 | S | 43.2 | Very low | 45.2 | Very low | 117 Ų | 117 | 143 Ų | 143 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -91.4 | -6.5 | 178.9 | -74.7 | 0 | 0 | 0 | 0 | 114.1 | ||
| 104 | T | 42.1 | Very low | 44.7 | Very low | 110 Ų | 110 | 143.9 Ų | 143.9 | 68% | 0.675 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -89.2 | -14.4 | -173.3 | -47.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 105 | D | 40.5 | Very low | 44.1 | Very low | 141 Ų | 141 | 143.6 Ų | 143.6 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -90 | -24 | -172.2 | -164.7 | -110.6 | 0 | 0 | 0 | 114.4 | R107 | D105-R107 PolarHBondContact O-N 3.19Š|
| 106 | R | 41.1 | Very low | 43.3 | Very low | 189 Ų | 189 | 146.9 Ų | 146.9 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | 5.4 | -172.7 | -142.3 | -169.7 | -175.1 | 173.3 | 5.7 | 115.6 | ||
| 107 | R | 38.1 | Very low | 42.8 | Very low | 234 Ų | 234 | 153.8 Ų | 153.8 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | 5.2 | 176.5 | -151.3 | -174.9 | -81.6 | -176.5 | -3.9 | 112.6 | D105 | D105-R107 PolarHBondContact O-N 3.19Š|
| 108 | S | 39.3 | Very low | 42.5 | Very low | 105 Ų | 105 | 153.6 Ų | 153.6 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -144.9 | 58.4 | -178.6 | -58.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 109 | Q | 33.9 | Very low | 42.4 | Very low | 265 Ų | 265 | 155.8 Ų | 155.8 | 100% | 1.238 | 79% | 0.785 | S | S | * | * | trans | -155.4 | 0 | 147.5 | -155.1 | 166.8 | 91.3 | 0 | 0 | 110.7 |
Retrieved 109 of 109 residues in 56.7 ms
(Link to these results)