| 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 | 47.5 | Very low | 64.3 | Low | 235 Ų | 235 | 82.3 Ų | 82.3 | 100% | 1.158 | 50% | 0.5 | S | S | * | . | 0 | 16.3 | 0 | -76.7 | -157.3 | 167.9 | 0 | 0 | 114.5 | |||||
| 2 | G | 55.3 | Low | 65 | Low | 58 Ų | 58 | 84.5 Ų | 84.5 | 60% | 0.598 | 51% | 0.507 | S | S | * | . | trans | -93.6 | -20.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 3 | C | 57 | Low | 65.4 | Low | 35 Ų | 35 | 85.2 Ų | 85.2 | 24% | 0.236 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -81.2 | -21.7 | -171.9 | -59.9 | 0 | 0 | 0 | 0 | 114.2 | L6 L7 | C3-L6 PolarHBondContact O-N 3.24Å; C3-L7 WeakPolarHBondContact O-CB 3.39Å; C3-L7 WeakPolarHBondContact O-CG 3.32Å; C3-L7 PolarHBondContact O-N 2.98Å |
| 4 | S | 65.9 | Low | 65.7 | Low | 84 Ų | 84 | 82.9 Ų | 82.9 | 59% | 0.587 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65.5 | -40.2 | -177.5 | 47.4 | 0 | 0 | 0 | 0 | 112.3 | L7 L8 | S4-L7 PolarHBondContact O-N 3.48Å; S4-L8 WeakPolarHBondContact O-CB 3.49Å; S4-L8 PolarHBondContact O-N 3.24Å |
| 5 | G | 67.3 | Low | 65.7 | Low | 40 Ų | 40 | 79.5 Ų | 79.5 | 41% | 0.412 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | L8 S9 | G5-L8 PolarHBondContact O-N 3.38Å; G5-S9 PolarHBondContact O-N 3.35Å; G5-S9 PolarHBondContact O-OG 3.28Å; G5-S9 VanDerWaalsContact O-OG 3.07Å |
| 6 | L | 66.1 | Low | 65.6 | Low | 75 Ų | 75 | 79.7 Ų | 79.7 | 39% | 0.393 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 177.5 | -64.9 | 175.2 | 0 | 0 | 0 | 112.4 | C3 L8 S9 S10 L94 V97 | C3-L6 PolarHBondContact O-N 3.24Å; L6-L8 VanDerWaalsContact C-N 3.35Å; L6-S9 PolarHBondContact O-N 3.32Å; L6-S10 WeakPolarHBondContact O-CB 3.42Å; L6-S10 PolarHBondContact O-N 2.8Å; L6-L94 HydrophobicContact CB-CD1 3.55Å; L6-V97 HydrophobicContact CD1-CB 4.18Å; L6-V97 HydrophobicContact CD1-CG1 3.95Å; L6-V97 HydrophobicContact CD1-CG2 4.11Å |
| 7 | L | 68.1 | Low | 65.6 | Low | 81 Ų | 81 | 77.8 Ų | 77.8 | 42% | 0.424 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 173.6 | -78.7 | 170 | 0 | 0 | 0 | 111 | C3 S4 S10 I11 L94 | C3-L7 WeakPolarHBondContact O-CB 3.39Å; C3-L7 WeakPolarHBondContact O-CG 3.32Å; C3-L7 PolarHBondContact O-N 2.98Å; S4-L7 PolarHBondContact O-N 3.48Å; L7-S10 PolarHBondContact O-N 3.17Å; L7-S10 PolarHBondContact O-OG 3.33Å; L7-I11 WeakPolarHBondContact O-CG1 3.49Å; L7-I11 PolarHBondContact O-N 3.37Å; L7-L94 HydrophobicContact CD2-CD1 4.05Å; L7-L94 HydrophobicContact CD2-CD2 3.77Å; L7-L94 HydrophobicContact CD2-CG 4.41Å; L7-L94 HydrophobicContact CG-CD1 4.11Å |
| 8 | L | 71.7 | Confident | 65.5 | Low | 104 Ų | 104 | 77.8 Ų | 77.8 | 55% | 0.545 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 178 | -167.2 | 66.3 | 0 | 0 | 0 | 111.2 | S4 G5 L6 S10 I11 D12 | S4-L8 WeakPolarHBondContact O-CB 3.49Å; S4-L8 PolarHBondContact O-N 3.24Å; G5-L8 PolarHBondContact O-N 3.38Å; L6-L8 VanDerWaalsContact C-N 3.35Å; L8-S10 VanDerWaalsContact C-N 3.25Å; L8-S10 PolarHBondContact O-N 3.04Å; L8-I11 PolarHBondContact O-N 3.04Å; L8-I11 VanDerWaalsContact O-N 3.07Å; L8-D12 PolarHBondContact O-N 3.14Å |
| 9 | S | 70.4 | Confident | 65.3 | Low | 69 Ų | 69 | 79.4 Ų | 79.4 | 48% | 0.483 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.7 | -35.2 | 174.7 | -57.6 | 0 | 0 | 0 | 0 | 112.8 | G5 L6 Y13 | G5-S9 PolarHBondContact O-N 3.35Å; G5-S9 PolarHBondContact O-OG 3.28Å; G5-S9 VanDerWaalsContact O-OG 3.07Å; L6-S9 PolarHBondContact O-N 3.32Å; S9-Y13 WeakPolarHBondContact O-CB 3.35Å; S9-Y13 PolarHBondContact O-N 3.35Å |
| 10 | S | 66.3 | Low | 65.1 | Low | 18 Ų | 18 | 78.2 Ų | 78.2 | 13% | 0.126 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -68.1 | -40.5 | 175.1 | 74.5 | 0 | 0 | 0 | 0 | 111.8 | L6 L7 L8 Y13 F14 | L6-S10 WeakPolarHBondContact O-CB 3.42Å; L6-S10 PolarHBondContact O-N 2.8Å; L7-S10 PolarHBondContact O-N 3.17Å; L7-S10 PolarHBondContact O-OG 3.33Å; L8-S10 VanDerWaalsContact C-N 3.25Å; L8-S10 PolarHBondContact O-N 3.04Å; S10-Y13 PolarHBondContact O-N 3.22Å; S10-F14 WeakPolarHBondContact O-CB 3.5Å; S10-F14 VanDerWaalsContact O-CD2 3.25Å; S10-F14 WeakPolarHBondContact O-CD2 3.41Å; S10-F14 PolarHBondContact O-N 3.49Å |
| 11 | I | 71.9 | Confident | 65.1 | Low | 106 Ų | 106 | 82.9 Ų | 82.9 | 54% | 0.544 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.1 | -41.1 | 176.2 | -67.4 | 166.8 | 0 | 0 | 0 | 110.2 | L7 L8 Y13 G15 | L7-I11 WeakPolarHBondContact O-CG1 3.49Å; L7-I11 PolarHBondContact O-N 3.37Å; L8-I11 PolarHBondContact O-N 3.04Å; L8-I11 VanDerWaalsContact O-N 3.07Å; I11-Y13 VanDerWaalsContact C-N 3.33Å; I11-Y13 PolarHBondContact O-N 3.11Å; I11-G15 VanDerWaalsContact O-CA 3.31Å; I11-G15 WeakPolarHBondContact O-CA 3.5Å; I11-G15 PolarHBondContact O-N 2.99Å |
| 12 | D | 72.9 | Confident | 65.8 | Low | 109 Ų | 109 | 75.4 Ų | 75.4 | 58% | 0.583 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -66.6 | -33.2 | 177 | -72.3 | -20.7 | 0 | 0 | 0 | 112.6 | L8 P16 | L8-D12 PolarHBondContact O-N 3.14Å; D12-P16 WeakPolarHBondContact O-CD 3.08Å; D12-P16 WeakPolarHBondContact O-CG 3.46Å |
| 13 | Y | 69.9 | Low | 66.2 | Low | 93 Ų | 93 | 79.9 Ų | 79.9 | 37% | 0.365 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -76.1 | -48.4 | 175.1 | -179.7 | -101.3 | 0 | 0 | 0 | 112.4 | S9 S10 I11 L17 L90 | S9-Y13 WeakPolarHBondContact O-CB 3.35Å; S9-Y13 PolarHBondContact O-N 3.35Å; S10-Y13 PolarHBondContact O-N 3.22Å; I11-Y13 VanDerWaalsContact C-N 3.33Å; I11-Y13 PolarHBondContact O-N 3.11Å; Y13-L17 HydrophobicContact CE1-CD2 4.33Å; Y13-L90 HydrophobicContact CD1-CD1 4.18Å; Y13-L90 HydrophobicContact CD2-CD1 4.43Å; Y13-L90 HydrophobicContact CG-CD1 4.07Å |
| 14 | F | 69.9 | Low | 66.4 | Low | 54 Ų | 54 | 84.7 Ų | 84.7 | 24% | 0.237 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -76.7 | -31.4 | -177.4 | -81.8 | -74.2 | 0 | 0 | 0 | 113.4 | S10 L17 V18 L88 V91 | S10-F14 WeakPolarHBondContact O-CB 3.5Å; S10-F14 VanDerWaalsContact O-CD2 3.25Å; S10-F14 WeakPolarHBondContact O-CD2 3.41Å; S10-F14 PolarHBondContact O-N 3.49Å; F14-L17 HydrophobicContact CD1-CD2 4.48Å; F14-L17 PolarHBondContact O-N 3Å; F14-V18 HydrophobicContact CD1-CG2 4.48Å; F14-V18 WeakPolarHBondContact O-CB 3.48Å; F14-V18 WeakPolarHBondContact O-CG2 3.49Å; F14-V18 PolarHBondContact O-N 2.67Å; F14-L88 HydrophobicContact CE1-CD2 3.76Å; F14-L88 HydrophobicContact CZ-CD2 3.46Å; F14-L88 VanDerWaalsContact CZ-CD2 3.46Å; F14-V91 HydrophobicContact CE2-CG2 3.46Å; F14-V91 VanDerWaalsContact CE2-CG2 3.46Å; F14-V91 HydrophobicContact CZ-CG2 3.57Å |
| 15 | G | 65.4 | Low | 66.2 | Low | 32 Ų | 32 | 89 Ų | 89 | 33% | 0.33 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -51.6 | -60.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I11 L17 L19 | I11-G15 VanDerWaalsContact O-CA 3.31Å; I11-G15 WeakPolarHBondContact O-CA 3.5Å; I11-G15 PolarHBondContact O-N 2.99Å; G15-L17 PolarHBondContact O-N 3.25Å; G15-L19 WeakPolarHBondContact O-CB 3.29Å; G15-L19 PolarHBondContact O-N 3.28Å |
| 16 | P | 64.2 | Low | 66 | Low | 82 Ų | 82 | 92.9 Ų | 92.9 | 53% | 0.532 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.8 | -36.8 | 177.2 | -20.8 | 33 | 0 | 0 | 0 | 113.6 | D12 L19 S20 | D12-P16 WeakPolarHBondContact O-CD 3.08Å; D12-P16 WeakPolarHBondContact O-CG 3.46Å; P16-L19 PolarHBondContact O-N 3.31Å; P16-S20 VanDerWaalsContact O-CB 3.25Å; P16-S20 WeakPolarHBondContact O-CB 3.25Å; P16-S20 PolarHBondContact O-N 2.95Å; P16-S20 PolarHBondContact O-OG 3.1Å |
| 17 | L | 64.9 | Low | 65.6 | Low | 47 Ų | 47 | 94 Ų | 94 | 25% | 0.246 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -66.6 | -41 | -178 | -170.8 | 70.8 | 0 | 0 | 0 | 112.1 | Y13 F14 G15 S20 R21 | Y13-L17 HydrophobicContact CE1-CD2 4.33Å; F14-L17 HydrophobicContact CD1-CD2 4.48Å; F14-L17 PolarHBondContact O-N 3Å; G15-L17 PolarHBondContact O-N 3.25Å; L17-S20 PolarHBondContact O-OG 3.12Å; L17-S20 VanDerWaalsContact O-OG 3.12Å; L17-R21 WeakPolarHBondContact O-CG 3.43Å; L17-R21 PolarHBondContact O-N 2.87Å |
| 18 | V | 65.3 | Low | 65.7 | Low | 78 Ų | 78 | 93.1 Ų | 93.1 | 47% | 0.473 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -74.3 | -44.4 | 175.9 | 176.7 | 0 | 0 | 0 | 0 | 110 | F14 S20 R21 M22 | F14-V18 HydrophobicContact CD1-CG2 4.48Å; F14-V18 WeakPolarHBondContact O-CB 3.48Å; F14-V18 WeakPolarHBondContact O-CG2 3.49Å; F14-V18 PolarHBondContact O-N 2.67Å; V18-S20 PolarHBondContact O-N 2.82Å; V18-R21 PolarHBondContact O-N 3.46Å; V18-M22 HydrophobicContact CG1-CG 4.12Å; V18-M22 WeakPolarHBondContact O-CB 3.49Å; V18-M22 WeakPolarHBondContact O-CG 3.47Å; V18-M22 PolarHBondContact O-N 3.35Å |
| 19 | L | 60.5 | Low | 65.8 | Low | 108 Ų | 108 | 97.6 Ų | 97.6 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58 | -49.7 | 178.1 | -125.9 | 67.8 | 0 | 0 | 0 | 111.5 | G15 P16 R21 M22 F23 | G15-L19 WeakPolarHBondContact O-CB 3.29Å; G15-L19 PolarHBondContact O-N 3.28Å; P16-L19 PolarHBondContact O-N 3.31Å; L19-R21 VanDerWaalsContact C-N 3.31Å; L19-R21 PolarHBondContact O-N 3.44Å; L19-M22 PolarHBondContact O-N 2.86Å; L19-F23 HydrophobicContact CB-CD2 4.4Å; L19-F23 HydrophobicContact CD1-CD2 4.26Å; L19-F23 HydrophobicContact CD1-CE2 3.84Å; L19-F23 HydrophobicContact CG-CD2 3.79Å; L19-F23 HydrophobicContact CG-CE2 3.87Å; L19-F23 VanDerWaalsContact O-CD2 3.28Å; L19-F23 WeakPolarHBondContact O-CD2 3.41Å; L19-F23 PolarHBondContact O-N 3.03Å |
| 20 | S | 62.4 | Low | 66.1 | Low | 55 Ų | 55 | 101.5 Ų | 101.5 | 39% | 0.385 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.6 | -35.5 | -177.6 | 56.3 | 0 | 0 | 0 | 0 | 113.1 | P16 L17 V18 N24 | P16-S20 VanDerWaalsContact O-CB 3.25Å; P16-S20 WeakPolarHBondContact O-CB 3.25Å; P16-S20 PolarHBondContact O-N 2.95Å; P16-S20 PolarHBondContact O-OG 3.1Å; L17-S20 PolarHBondContact O-OG 3.12Å; L17-S20 VanDerWaalsContact O-OG 3.12Å; V18-S20 PolarHBondContact O-N 2.82Å; S20-N24 VanDerWaalsContact O-CB 3.29Å; S20-N24 WeakPolarHBondContact O-CB 3.18Å; S20-N24 VanDerWaalsContact O-CG 3.22Å; S20-N24 PolarHBondContact O-ND2 3.06Å |
| 21 | R | 64.5 | Low | 66.3 | Low | 177 Ų | 177 | 104.9 Ų | 104.9 | 67% | 0.668 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -73.7 | -34.3 | 176.4 | -73.7 | -176 | -179.6 | 169.4 | 4.2 | 113.1 | L17 V18 L19 | L17-R21 WeakPolarHBondContact O-CG 3.43Å; L17-R21 PolarHBondContact O-N 2.87Å; V18-R21 PolarHBondContact O-N 3.46Å; L19-R21 VanDerWaalsContact C-N 3.31Å; L19-R21 PolarHBondContact O-N 3.44Å |
| 22 | M | 62 | Low | 66.2 | Low | 79 Ų | 79 | 105 Ų | 105 | 39% | 0.389 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -83.1 | -29.9 | -176.1 | -61.1 | -63.2 | -84.6 | 0 | 0 | 112.8 | V18 L19 Y35 F38 | V18-M22 HydrophobicContact CG1-CG 4.12Å; V18-M22 WeakPolarHBondContact O-CB 3.49Å; V18-M22 WeakPolarHBondContact O-CG 3.47Å; V18-M22 PolarHBondContact O-N 3.35Å; L19-M22 PolarHBondContact O-N 2.86Å; M22-Y35 HydrophobicContact CE-CD2 3.37Å; M22-Y35 HydrophobicContact CE-CE2 3.26Å; M22-F38 HydrophobicContact CE-CD1 4.19Å; M22-F38 HydrophobicContact CE-CE1 4.15Å |
| 23 | F | 63.2 | Low | 66.3 | Low | 151 Ų | 151 | 107.6 Ų | 107.6 | 66% | 0.662 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -106 | 2.9 | -172.4 | -68.1 | -72.7 | 0 | 0 | 0 | 115.4 | L19 K25 | L19-F23 HydrophobicContact CB-CD2 4.4Å; L19-F23 HydrophobicContact CD1-CD2 4.26Å; L19-F23 HydrophobicContact CD1-CE2 3.84Å; L19-F23 HydrophobicContact CG-CD2 3.79Å; L19-F23 HydrophobicContact CG-CE2 3.87Å; L19-F23 VanDerWaalsContact O-CD2 3.28Å; L19-F23 WeakPolarHBondContact O-CD2 3.41Å; L19-F23 PolarHBondContact O-N 3.03Å; F23-K25 PolarHBondContact O-N 3.49Å |
| 24 | N | 61 | Low | 66.5 | Low | 137 Ų | 137 | 106.6 Ų | 106.6 | 73% | 0.733 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -75.2 | -1.3 | -176 | -104 | -7.4 | 0 | 0 | 0 | 115.7 | S20 | S20-N24 VanDerWaalsContact O-CB 3.29Å; S20-N24 WeakPolarHBondContact O-CB 3.18Å; S20-N24 VanDerWaalsContact O-CG 3.22Å; S20-N24 PolarHBondContact O-ND2 3.06Å |
| 25 | K | 63.1 | Low | 66.5 | Low | 173 Ų | 173 | 109.5 Ų | 109.5 | 75% | 0.752 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -139.1 | 141.2 | 174.1 | -75.8 | -177.1 | 178.4 | 175.4 | 0 | 111.5 | F23 | F23-K25 PolarHBondContact O-N 3.49Š|
| 26 | P | 61.4 | Low | 67 | Low | 122 Ų | 122 | 114.4 Ų | 114.4 | 79% | 0.792 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 126.2 | 171.8 | 26.4 | -32.5 | 0 | 0 | 0 | 108.6 | S28 | P26-S28 PolarHBondContact O-N 2.79Š|
| 27 | P | 58.6 | Low | 67.4 | Low | 100 Ų | 100 | 111.8 Ų | 111.8 | 65% | 0.649 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 124.6 | -169.6 | 26 | -33.2 | 0 | 0 | 0 | 111 | D31 | P27-D31 HydrophobicContact CB-CB 4.45Š|
| 28 | S | 70.8 | Confident | 67.8 | Low | 62 Ų | 62 | 114 Ų | 114 | 43% | 0.434 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -66.2 | 155.3 | 160.8 | -179.1 | 0 | 0 | 0 | 0 | 109.5 | P26 E30 D31 H32 | P26-S28 PolarHBondContact O-N 2.79Å; S28-E30 PolarHBondContact O-N 3.39Å; S28-D31 VanDerWaalsContact CB-OD2 3.28Å; S28-D31 WeakPolarHBondContact CB-OD2 3.38Å; S28-D31 PolarHBondContact N-OD2 3.42Å; S28-D31 WeakPolarHBondContact O-CA 3.3Å; S28-D31 WeakPolarHBondContact O-CB 3.36Å; S28-D31 PolarHBondContact O-N 2.95Å; S28-H32 PolarHBondContact O-N 3.5Å |
| 29 | Y | 73.6 | Confident | 68.3 | Low | 198 Ų | 198 | 112 Ų | 112 | 78% | 0.776 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -55.3 | -36.7 | 176 | 179 | -97.8 | 0 | 0 | 0 | 112 | H32 W33 | Y29-H32 WeakPolarHBondContact O-CB 3.17Å; Y29-H32 PolarHBondContact O-N 3.35Å; Y29-W33 PolarHBondContact O-N 2.81Å |
| 30 | E | 75.7 | Confident | 69 | Low | 151 Ų | 151 | 114.6 Ų | 114.6 | 71% | 0.706 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.5 | -39.2 | 174.8 | -63.4 | -175.2 | 167 | 0 | 0 | 112.3 | S28 H32 W33 C34 | S28-E30 PolarHBondContact O-N 3.39Å; E30-H32 VanDerWaalsContact C-N 3.3Å; E30-H32 PolarHBondContact O-N 2.82Å; E30-W33 PolarHBondContact O-N 3.49Å; E30-C34 WeakPolarHBondContact O-CB 3.34Å; E30-C34 PolarHBondContact O-N 3.32Å |
| 31 | D | 70.3 | Confident | 69.6 | Low | 88 Ų | 88 | 119.6 Ų | 119.6 | 47% | 0.471 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.5 | -37.6 | 175.8 | -62.1 | -37.9 | 0 | 0 | 0 | 110.9 | P27 S28 C34 Y35 | P27-D31 HydrophobicContact CB-CB 4.45Å; S28-D31 VanDerWaalsContact CB-OD2 3.28Å; S28-D31 WeakPolarHBondContact CB-OD2 3.38Å; S28-D31 PolarHBondContact N-OD2 3.42Å; S28-D31 WeakPolarHBondContact O-CA 3.3Å; S28-D31 WeakPolarHBondContact O-CB 3.36Å; S28-D31 PolarHBondContact O-N 2.95Å; D31-C34 PolarHBondContact O-N 2.99Å; D31-Y35 WeakPolarHBondContact O-CB 2.79Å; D31-Y35 PolarHBondContact O-N 3.37Å |
| 32 | H | 71.3 | Confident | 69.8 | Low | 109 Ų | 109 | 115.5 Ų | 115.5 | 51% | 0.505 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 177.1 | -170.6 | -87.7 | 0 | 0 | 0 | 111.9 | S28 Y29 E30 Y35 W36 | S28-H32 PolarHBondContact O-N 3.5Å; Y29-H32 WeakPolarHBondContact O-CB 3.17Å; Y29-H32 PolarHBondContact O-N 3.35Å; E30-H32 VanDerWaalsContact C-N 3.3Å; E30-H32 PolarHBondContact O-N 2.82Å; H32-Y35 PolarHBondContact O-N 3.37Å; H32-W36 WeakPolarHBondContact O-CB 3.42Å; H32-W36 PolarHBondContact O-N 3.22Å |
| 33 | W | 74.6 | Confident | 70.2 | Confident | 163 Ų | 163 | 115.8 Ų | 115.8 | 62% | 0.617 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -68.3 | -41.1 | 175.7 | -167.6 | 84.3 | 0 | 0 | 0 | 112 | Y29 E30 Y35 W36 N37 | Y29-W33 PolarHBondContact O-N 2.81Å; E30-W33 PolarHBondContact O-N 3.49Å; W33-Y35 VanDerWaalsContact C-N 3.35Å; W33-W36 PolarHBondContact O-N 2.81Å; W33-N37 VanDerWaalsContact CE2-ND2 3.33Å; W33-N37 WeakPolarHBondContact CH2-ND2 3.38Å; W33-N37 WeakPolarHBondContact CZ2-ND2 3.26Å; W33-N37 WeakPolarHBondContact CZ3-ND2 3.35Å; W33-N37 PolarHBondContact O-N 3.09Å |
| 34 | C | 73.8 | Confident | 70.7 | Confident | 73 Ų | 73 | 114.6 Ų | 114.6 | 49% | 0.493 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.5 | -45.5 | 173.6 | -169.2 | 0 | 0 | 0 | 0 | 111.3 | E30 D31 N37 F38 | E30-C34 WeakPolarHBondContact O-CB 3.34Å; E30-C34 PolarHBondContact O-N 3.32Å; D31-C34 PolarHBondContact O-N 2.99Å; C34-N37 PolarHBondContact O-N 3.48Å; C34-F38 WeakPolarHBondContact O-CB 3.43Å; C34-F38 PolarHBondContact O-N 2.97Å |
| 35 | Y | 70.7 | Confident | 71.2 | Confident | 114 Ų | 114 | 114.1 Ų | 114.1 | 45% | 0.447 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 175.2 | 176.5 | -105 | 0 | 0 | 0 | 111.8 | M22 D31 H32 W33 N37 F38 C39 | M22-Y35 HydrophobicContact CE-CD2 3.37Å; M22-Y35 HydrophobicContact CE-CE2 3.26Å; D31-Y35 WeakPolarHBondContact O-CB 2.79Å; D31-Y35 PolarHBondContact O-N 3.37Å; H32-Y35 PolarHBondContact O-N 3.37Å; W33-Y35 VanDerWaalsContact C-N 3.35Å; Y35-N37 PolarHBondContact O-N 2.79Å; Y35-F38 WeakPolarHBondContact O-CB 3.06Å; Y35-F38 PolarHBondContact O-N 2.92Å; Y35-C39 WeakPolarHBondContact CE2-SG 3.12Å; Y35-C39 WeakPolarHBondContact O-CB 3.33Å; Y35-C39 PolarHBondContact O-N 2.94Å; Y35-C39 PolarHBondContact O-SG 3.27Å; Y35-C39 VanDerWaalsContact O-SG 3.33Å |
| 36 | W | 74.2 | Confident | 71.7 | Confident | 135 Ų | 135 | 113.9 Ų | 113.9 | 51% | 0.511 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 178.1 | -171.7 | 87.2 | 0 | 0 | 0 | 111.8 | H32 W33 F38 C39 R40 | H32-W36 WeakPolarHBondContact O-CB 3.42Å; H32-W36 PolarHBondContact O-N 3.22Å; W33-W36 PolarHBondContact O-N 2.81Å; W36-F38 VanDerWaalsContact C-N 3.34Å; W36-F38 PolarHBondContact O-N 3.22Å; W36-C39 PolarHBondContact O-N 2.8Å; W36-R40 WeakPolarHBondContact O-CB 3.38Å; W36-R40 PolarHBondContact O-N 2.72Å |
| 37 | N | 74.2 | Confident | 72.4 | Confident | 27 Ų | 27 | 113.3 Ų | 113.3 | 14% | 0.144 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -66.5 | -35.1 | 174.5 | -81.2 | -31.6 | 0 | 0 | 0 | 113 | W33 C34 Y35 R41 | W33-N37 VanDerWaalsContact CE2-ND2 3.33Å; W33-N37 WeakPolarHBondContact CH2-ND2 3.38Å; W33-N37 WeakPolarHBondContact CZ2-ND2 3.26Å; W33-N37 WeakPolarHBondContact CZ3-ND2 3.35Å; W33-N37 PolarHBondContact O-N 3.09Å; C34-N37 PolarHBondContact O-N 3.48Å; Y35-N37 PolarHBondContact O-N 2.79Å; N37-R41 WeakPolarHBondContact O-CB 3.48Å; N37-R41 VanDerWaalsContact O-CG 3.32Å; N37-R41 WeakPolarHBondContact O-CG 3.21Å; N37-R41 PolarHBondContact O-N 2.8Å; N37-R41 PolarHBondContact O-NE 3.25Å |
| 38 | F | 73.1 | Confident | 73.2 | Confident | 95 Ų | 95 | 111.9 Ų | 111.9 | 42% | 0.417 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.1 | -47.5 | 174 | 178.1 | -105.9 | 0 | 0 | 0 | 111 | M22 C34 Y35 W36 R40 R41 L42 | M22-F38 HydrophobicContact CE-CD1 4.19Å; M22-F38 HydrophobicContact CE-CE1 4.15Å; C34-F38 WeakPolarHBondContact O-CB 3.43Å; C34-F38 PolarHBondContact O-N 2.97Å; Y35-F38 WeakPolarHBondContact O-CB 3.06Å; Y35-F38 PolarHBondContact O-N 2.92Å; W36-F38 VanDerWaalsContact C-N 3.34Å; W36-F38 PolarHBondContact O-N 3.22Å; F38-R40 PolarHBondContact O-N 3.43Å; F38-R41 CarbonylContact O-C 3.57Å; F38-R41 WeakPolarHBondContact O-CB 3.45Å; F38-R41 PolarHBondContact O-N 3.39Å; F38-R41 VanDerWaalsContact O-N 3.17Å; F38-L42 HydrophobicContact CD1-CD1 3.72Å; F38-L42 HydrophobicContact CD1-CG 4.35Å; F38-L42 HydrophobicContact CE1-CD1 3.25Å; F38-L42 HydrophobicContact CE1-CG 3.97Å; F38-L42 HydrophobicContact CE2-CG 4.44Å; F38-L42 HydrophobicContact CZ-CD1 3.72Å; F38-L42 HydrophobicContact CZ-CD2 4.28Å; F38-L42 HydrophobicContact CZ-CG 4.01Å; F38-L42 PolarHBondContact O-N 3.3Å |
| 39 | C | 74.5 | Confident | 73.3 | Confident | 35 Ų | 35 | 113.8 Ų | 113.8 | 24% | 0.236 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 174.4 | -74.4 | 0 | 0 | 0 | 0 | 112.1 | Y35 W36 R41 L42 V43 | Y35-C39 WeakPolarHBondContact CE2-SG 3.12Å; Y35-C39 WeakPolarHBondContact O-CB 3.33Å; Y35-C39 PolarHBondContact O-N 2.94Å; Y35-C39 PolarHBondContact O-SG 3.27Å; Y35-C39 VanDerWaalsContact O-SG 3.33Å; W36-C39 PolarHBondContact O-N 2.8Å; C39-R41 VanDerWaalsContact C-N 3.32Å; C39-R41 PolarHBondContact O-N 2.97Å; C39-L42 WeakPolarHBondContact O-CB 3.36Å; C39-L42 PolarHBondContact O-N 3.47Å; C39-V43 WeakPolarHBondContact O-CG2 3.4Å; C39-V43 PolarHBondContact O-N 3.41Å |
| 40 | R | 76 | Confident | 73.4 | Confident | 162 Ų | 162 | 107.6 Ų | 107.6 | 61% | 0.611 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.3 | -42.8 | 174.7 | -175.3 | 176.9 | 175.4 | -179.6 | -0.7 | 111.5 | W36 F38 V43 H44 | W36-R40 WeakPolarHBondContact O-CB 3.38Å; W36-R40 PolarHBondContact O-N 2.72Å; F38-R40 PolarHBondContact O-N 3.43Å; R40-V43 PolarHBondContact O-N 2.82Å; R40-H44 PolarHBondContact O-N 3.29Å; R40-H44 VanDerWaalsContact O-N 3.07Å |
| 41 | R | 74.7 | Confident | 73.5 | Confident | 161 Ų | 161 | 105.5 Ų | 105.5 | 61% | 0.608 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.1 | -43.3 | 173.8 | -79.9 | -177.2 | -97.2 | -153.4 | -1.3 | 111.7 | N37 F38 C39 V43 H44 M45 | N37-R41 WeakPolarHBondContact O-CB 3.48Å; N37-R41 VanDerWaalsContact O-CG 3.32Å; N37-R41 WeakPolarHBondContact O-CG 3.21Å; N37-R41 PolarHBondContact O-N 2.8Å; N37-R41 PolarHBondContact O-NE 3.25Å; F38-R41 CarbonylContact O-C 3.57Å; F38-R41 WeakPolarHBondContact O-CB 3.45Å; F38-R41 PolarHBondContact O-N 3.39Å; F38-R41 VanDerWaalsContact O-N 3.17Å; C39-R41 VanDerWaalsContact C-N 3.32Å; C39-R41 PolarHBondContact O-N 2.97Å; R41-V43 PolarHBondContact O-N 3.5Å; R41-H44 PolarHBondContact O-N 2.73Å; R41-M45 WeakPolarHBondContact O-CB 3.27Å; R41-M45 VanDerWaalsContact O-CG 3.25Å; R41-M45 WeakPolarHBondContact O-CG 3.42Å; R41-M45 PolarHBondContact O-N 3.02Å |
| 42 | L | 69.1 | Low | 73.8 | Confident | 91 Ų | 91 | 104.9 Ų | 104.9 | 48% | 0.476 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 176.6 | -82.2 | 173.5 | 0 | 0 | 0 | 112.4 | F38 C39 H44 M45 R46 | F38-L42 HydrophobicContact CD1-CD1 3.72Å; F38-L42 HydrophobicContact CD1-CG 4.35Å; F38-L42 HydrophobicContact CE1-CD1 3.25Å; F38-L42 HydrophobicContact CE1-CG 3.97Å; F38-L42 HydrophobicContact CE2-CG 4.44Å; F38-L42 HydrophobicContact CZ-CD1 3.72Å; F38-L42 HydrophobicContact CZ-CD2 4.28Å; F38-L42 HydrophobicContact CZ-CG 4.01Å; F38-L42 PolarHBondContact O-N 3.3Å; C39-L42 WeakPolarHBondContact O-CB 3.36Å; C39-L42 PolarHBondContact O-N 3.47Å; L42-H44 VanDerWaalsContact C-N 3.34Å; L42-H44 PolarHBondContact O-N 2.82Å; L42-M45 PolarHBondContact O-N 3.29Å; L42-R46 PolarHBondContact O-N 3.48Å |
| 43 | V | 71.3 | Confident | 74 | Confident | 84 Ų | 84 | 104.1 Ų | 104.1 | 51% | 0.509 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 176.6 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | C39 R40 R41 M45 R46 H47 | C39-V43 WeakPolarHBondContact O-CG2 3.4Å; C39-V43 PolarHBondContact O-N 3.41Å; R40-V43 PolarHBondContact O-N 2.82Å; R41-V43 PolarHBondContact O-N 3.5Å; V43-M45 PolarHBondContact O-N 3.38Å; V43-R46 WeakPolarHBondContact O-CB 3.24Å; V43-R46 PolarHBondContact O-N 3.19Å; V43-H47 PolarHBondContact O-CD2 3.37Å; V43-H47 VanDerWaalsContact O-CD2 3.28Å; V43-H47 PolarHBondContact O-N 2.95Å; V43-H47 VanDerWaalsContact O-N 3.08Å |
| 44 | H | 73.5 | Confident | 74 | Confident | 127 Ų | 127 | 100.3 Ų | 100.3 | 59% | 0.588 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.2 | -43.4 | 175.2 | -167.8 | -71.2 | 0 | 0 | 0 | 111.7 | R40 R41 L42 R46 H47 V48 | R40-H44 PolarHBondContact O-N 3.29Å; R40-H44 VanDerWaalsContact O-N 3.07Å; R41-H44 PolarHBondContact O-N 2.73Å; L42-H44 VanDerWaalsContact C-N 3.34Å; L42-H44 PolarHBondContact O-N 2.82Å; H44-R46 VanDerWaalsContact C-N 3.32Å; H44-R46 PolarHBondContact O-N 3.41Å; H44-H47 PolarHBondContact O-N 3.3Å; H44-V48 WeakPolarHBondContact O-CG2 3.29Å; H44-V48 PolarHBondContact O-N 3.13Å |
| 45 | M | 70.6 | Confident | 74.1 | Confident | 126 Ų | 126 | 102 Ų | 102 | 62% | 0.621 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62 | -38.7 | 175.7 | -72.4 | -60.6 | -132.7 | 0 | 0 | 111.9 | R41 L42 V43 H47 V48 L49 | R41-M45 WeakPolarHBondContact O-CB 3.27Å; R41-M45 VanDerWaalsContact O-CG 3.25Å; R41-M45 WeakPolarHBondContact O-CG 3.42Å; R41-M45 PolarHBondContact O-N 3.02Å; L42-M45 PolarHBondContact O-N 3.29Å; V43-M45 PolarHBondContact O-N 3.38Å; M45-H47 PolarHBondContact O-N 3.23Å; M45-V48 PolarHBondContact O-N 3Å; M45-L49 VanDerWaalsContact O-CB 3.29Å; M45-L49 WeakPolarHBondContact O-CB 3.47Å; M45-L49 PolarHBondContact O-N 3.39Å |
| 46 | R | 75 | Confident | 74.1 | Confident | 169 Ų | 169 | 97 Ų | 97 | 64% | 0.638 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -59.8 | -45.5 | 173.7 | -178.1 | -173.6 | 177.3 | -154.1 | 0.5 | 111.2 | L42 V43 H44 L49 I50 | L42-R46 PolarHBondContact O-N 3.48Å; V43-R46 WeakPolarHBondContact O-CB 3.24Å; V43-R46 PolarHBondContact O-N 3.19Å; H44-R46 VanDerWaalsContact C-N 3.32Å; H44-R46 PolarHBondContact O-N 3.41Å; R46-L49 PolarHBondContact O-N 3.32Å; R46-I50 HydrophobicContact CG-CD1 3.88Å; R46-I50 VanDerWaalsContact O-CG1 3.27Å; R46-I50 WeakPolarHBondContact O-CG1 3.13Å; R46-I50 PolarHBondContact O-N 3.26Å |
| 47 | H | 74.6 | Confident | 74 | Confident | 109 Ų | 109 | 95.6 Ų | 95.6 | 51% | 0.505 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 176.8 | -81 | -72 | 0 | 0 | 0 | 112.3 | V43 H44 M45 L49 I50 N51 | V43-H47 PolarHBondContact O-CD2 3.37Å; V43-H47 VanDerWaalsContact O-CD2 3.28Å; V43-H47 PolarHBondContact O-N 2.95Å; V43-H47 VanDerWaalsContact O-N 3.08Å; H44-H47 PolarHBondContact O-N 3.3Å; M45-H47 PolarHBondContact O-N 3.23Å; H47-L49 VanDerWaalsContact C-N 3.32Å; H47-L49 PolarHBondContact O-N 2.95Å; H47-I50 PolarHBondContact O-N 3.28Å; H47-N51 WeakPolarHBondContact O-CB 3.32Å; H47-N51 VanDerWaalsContact O-CG 3.23Å; H47-N51 PolarHBondContact O-N 3Å; H47-N51 PolarHBondContact O-ND2 2.95Å |
| 48 | V | 75.1 | Confident | 73.8 | Confident | 71 Ų | 71 | 103.3 Ų | 103.3 | 43% | 0.43 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.3 | -44 | 175 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | H44 M45 N51 F52 | H44-V48 WeakPolarHBondContact O-CG2 3.29Å; H44-V48 PolarHBondContact O-N 3.13Å; M45-V48 PolarHBondContact O-N 3Å; V48-N51 PolarHBondContact O-N 3.44Å; V48-F52 VanDerWaalsContact O-CB 3.24Å; V48-F52 WeakPolarHBondContact O-CB 3.4Å; V48-F52 PolarHBondContact O-N 3.31Å |
| 49 | L | 73.6 | Confident | 73.5 | Confident | 101 Ų | 101 | 99.6 Ų | 99.6 | 53% | 0.529 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 178.6 | -175.1 | 67.4 | 0 | 0 | 0 | 111.8 | M45 R46 H47 F52 L53 | M45-L49 VanDerWaalsContact O-CB 3.29Å; M45-L49 WeakPolarHBondContact O-CB 3.47Å; M45-L49 PolarHBondContact O-N 3.39Å; R46-L49 PolarHBondContact O-N 3.32Å; H47-L49 VanDerWaalsContact C-N 3.32Å; H47-L49 PolarHBondContact O-N 2.95Å; L49-F52 WeakPolarHBondContact O-CB 3.27Å; L49-F52 PolarHBondContact O-N 3.42Å; L49-L53 HydrophobicContact CG-CD1 4.38Å; L49-L53 VanDerWaalsContact O-CG 3.31Å; L49-L53 WeakPolarHBondContact O-CG 3.42Å; L49-L53 PolarHBondContact O-N 2.94Å |
| 50 | I | 76.8 | Confident | 73 | Confident | 69 Ų | 69 | 101.2 Ų | 101.2 | 35% | 0.354 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62 | -47.1 | 176.4 | -68.9 | 166.3 | 0 | 0 | 0 | 110.2 | R46 H47 F52 L53 V54 | R46-I50 HydrophobicContact CG-CD1 3.88Å; R46-I50 VanDerWaalsContact O-CG1 3.27Å; R46-I50 WeakPolarHBondContact O-CG1 3.13Å; R46-I50 PolarHBondContact O-N 3.26Å; H47-I50 PolarHBondContact O-N 3.28Å; I50-F52 PolarHBondContact O-N 2.92Å; I50-L53 PolarHBondContact O-N 3.43Å; I50-L53 VanDerWaalsContact O-N 3.17Å; I50-V54 HydrophobicContact CG2-CG2 4.38Å; I50-V54 WeakPolarHBondContact O-CG2 3.44Å; I50-V54 PolarHBondContact O-N 2.81Å |
| 51 | N | 77.1 | Confident | 72.5 | Confident | 107 Ų | 107 | 102.1 Ų | 102.1 | 57% | 0.572 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -60.3 | -39.1 | 177.5 | -73.7 | -16.3 | 0 | 0 | 0 | 111.6 | H47 V48 V54 F55 | H47-N51 WeakPolarHBondContact O-CB 3.32Å; H47-N51 VanDerWaalsContact O-CG 3.23Å; H47-N51 PolarHBondContact O-N 3Å; H47-N51 PolarHBondContact O-ND2 2.95Å; V48-N51 PolarHBondContact O-N 3.44Å; N51-V54 PolarHBondContact O-N 2.78Å; N51-F55 WeakPolarHBondContact O-CB 3.48Å; N51-F55 PolarHBondContact O-N 3.29Å |
| 52 | F | 76.8 | Confident | 72.3 | Confident | 74 Ų | 74 | 104 Ų | 104 | 33% | 0.325 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.7 | -44.1 | 175.1 | -178.3 | -95.3 | 0 | 0 | 0 | 112 | V48 L49 I50 V54 F55 V56 L74 | V48-F52 VanDerWaalsContact O-CB 3.24Å; V48-F52 WeakPolarHBondContact O-CB 3.4Å; V48-F52 PolarHBondContact O-N 3.31Å; L49-F52 WeakPolarHBondContact O-CB 3.27Å; L49-F52 PolarHBondContact O-N 3.42Å; I50-F52 PolarHBondContact O-N 2.92Å; F52-V54 PolarHBondContact O-N 3.45Å; F52-F55 WeakPolarHBondContact O-CB 3.36Å; F52-F55 PolarHBondContact O-N 2.89Å; F52-V56 HydrophobicContact CD1-CG2 4.09Å; F52-V56 HydrophobicContact CE1-CG2 3.6Å; F52-V56 HydrophobicContact CE2-CG2 4.38Å; F52-V56 HydrophobicContact CZ-CG2 3.76Å; F52-V56 WeakPolarHBondContact O-CG2 3.48Å; F52-V56 PolarHBondContact O-N 3.23Å; F52-L74 HydrophobicContact CE1-CD1 3.39Å; F52-L74 HydrophobicContact CE1-CD2 3.61Å; F52-L74 HydrophobicContact CE1-CG 4Å; F52-L74 HydrophobicContact CZ-CD1 3.55Å; F52-L74 HydrophobicContact CZ-CD2 3.52Å; F52-L74 HydrophobicContact CZ-CG 3.84Å |
| 53 | L | 73.9 | Confident | 72.1 | Confident | 93 Ų | 93 | 103 Ų | 103 | 49% | 0.487 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 175.1 | -71.4 | 173.2 | 0 | 0 | 0 | 111.9 | L49 I50 F55 V56 H57 | L49-L53 HydrophobicContact CG-CD1 4.38Å; L49-L53 VanDerWaalsContact O-CG 3.31Å; L49-L53 WeakPolarHBondContact O-CG 3.42Å; L49-L53 PolarHBondContact O-N 2.94Å; I50-L53 PolarHBondContact O-N 3.43Å; I50-L53 VanDerWaalsContact O-N 3.17Å; L53-F55 VanDerWaalsContact C-N 3.32Å; L53-V56 PolarHBondContact O-N 3.4Å; L53-H57 WeakPolarHBondContact O-CB 3.45Å; L53-H57 PolarHBondContact O-N 2.67Å |
| 54 | V | 75.5 | Confident | 72 | Confident | 83 Ų | 83 | 102.4 Ų | 102.4 | 50% | 0.503 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 173.7 | 172 | 0 | 0 | 0 | 0 | 110.8 | I50 N51 F52 H57 R58 | I50-V54 HydrophobicContact CG2-CG2 4.38Å; I50-V54 WeakPolarHBondContact O-CG2 3.44Å; I50-V54 PolarHBondContact O-N 2.81Å; N51-V54 PolarHBondContact O-N 2.78Å; F52-V54 PolarHBondContact O-N 3.45Å; V54-H57 PolarHBondContact O-N 2.78Å; V54-R58 WeakPolarHBondContact O-CB 3.15Å; V54-R58 PolarHBondContact O-N 3.07Å |
| 55 | F | 76.1 | Confident | 71.8 | Confident | 110 Ų | 110 | 101.6 Ų | 101.6 | 48% | 0.482 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.2 | -48.2 | 174.4 | 175.5 | -98.9 | 0 | 0 | 0 | 111.5 | N51 F52 L53 H57 R58 V59 | N51-F55 WeakPolarHBondContact O-CB 3.48Å; N51-F55 PolarHBondContact O-N 3.29Å; F52-F55 WeakPolarHBondContact O-CB 3.36Å; F52-F55 PolarHBondContact O-N 2.89Å; L53-F55 VanDerWaalsContact C-N 3.32Å; F55-H57 VanDerWaalsContact C-N 3.3Å; F55-H57 PolarHBondContact O-N 2.78Å; F55-R58 PolarHBondContact O-N 3.13Å; F55-V59 HydrophobicContact CD1-CG2 4.15Å; F55-V59 HydrophobicContact CD2-CG2 4.34Å; F55-V59 HydrophobicContact CE1-CG2 3.75Å; F55-V59 HydrophobicContact CE2-CG2 3.96Å; F55-V59 HydrophobicContact CG-CG2 4.43Å; F55-V59 HydrophobicContact CZ-CG2 3.66Å; F55-V59 WeakPolarHBondContact O-CB 3.34Å; F55-V59 VanDerWaalsContact O-CG2 3.27Å; F55-V59 WeakPolarHBondContact O-CG2 3.25Å; F55-V59 PolarHBondContact O-N 3.42Å |
| 56 | V | 71.4 | Confident | 71.7 | Confident | 9 Ų | 9 | 99.2 Ų | 99.2 | 6% | 0.055 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -58.9 | -43.5 | 175.6 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | F52 L53 V59 R60 L74 F99 | F52-V56 HydrophobicContact CD1-CG2 4.09Å; F52-V56 HydrophobicContact CE1-CG2 3.6Å; F52-V56 HydrophobicContact CE2-CG2 4.38Å; F52-V56 HydrophobicContact CZ-CG2 3.76Å; F52-V56 WeakPolarHBondContact O-CG2 3.48Å; F52-V56 PolarHBondContact O-N 3.23Å; L53-V56 PolarHBondContact O-N 3.4Å; V56-V59 PolarHBondContact O-N 3.34Å; V56-R60 WeakPolarHBondContact O-CB 3.31Å; V56-R60 PolarHBondContact O-N 3.17Å; V56-L74 HydrophobicContact CG2-CD1 4.31Å; V56-F99 HydrophobicContact CG1-CE1 4.43Å |
| 57 | H | 70.3 | Confident | 71.3 | Confident | 105 Ų | 105 | 91.8 Ų | 91.8 | 49% | 0.486 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 175 | -171.2 | -95.1 | 0 | 0 | 0 | 111.4 | L53 V54 F55 V59 R60 Y61 | L53-H57 WeakPolarHBondContact O-CB 3.45Å; L53-H57 PolarHBondContact O-N 2.67Å; V54-H57 PolarHBondContact O-N 2.78Å; F55-H57 VanDerWaalsContact C-N 3.3Å; F55-H57 PolarHBondContact O-N 2.78Å; H57-V59 VanDerWaalsContact C-N 3.34Å; H57-V59 PolarHBondContact O-N 3.37Å; H57-R60 WeakPolarHBondContact O-CB 3.22Å; H57-R60 PolarHBondContact O-N 2.88Å; H57-R60 VanDerWaalsContact O-N 3.14Å; H57-Y61 AromaticContact CE1-CE2 3.25Å; H57-Y61 WeakPolarHBondContact CE1-CE2 3.43Å; H57-Y61 AromaticContact ND1-CE2 3.73Å; H57-Y61 AromaticContact NE2-CE2 3.52Å; H57-Y61 VanDerWaalsContact O-CD2 3.31Å; H57-Y61 WeakPolarHBondContact O-CD2 3.48Å; H57-Y61 PolarHBondContact O-N 2.72Å |
| 58 | R | 71.3 | Confident | 71.1 | Confident | 189 Ų | 189 | 91.8 Ų | 91.8 | 71% | 0.713 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.4 | -39.9 | 177 | -175.2 | -178.5 | -87.2 | -170.4 | -5.7 | 112 | V54 F55 R60 Y61 R62 | V54-R58 WeakPolarHBondContact O-CB 3.15Å; V54-R58 PolarHBondContact O-N 3.07Å; F55-R58 PolarHBondContact O-N 3.13Å; R58-R60 VanDerWaalsContact C-N 3.31Å; R58-R60 PolarHBondContact O-N 3.14Å; R58-Y61 PolarHBondContact O-N 2.81Å; R58-R62 PolarHBondContact O-N 3.47Å |
| 59 | V | 66.2 | Low | 71 | Confident | 17 Ų | 17 | 94.1 Ų | 94.1 | 10% | 0.103 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -64.5 | -37.1 | 175.1 | 170.7 | 0 | 0 | 0 | 0 | 111 | F55 V56 H57 Y61 R62 N63 L66 | F55-V59 HydrophobicContact CD1-CG2 4.15Å; F55-V59 HydrophobicContact CD2-CG2 4.34Å; F55-V59 HydrophobicContact CE1-CG2 3.75Å; F55-V59 HydrophobicContact CE2-CG2 3.96Å; F55-V59 HydrophobicContact CG-CG2 4.43Å; F55-V59 HydrophobicContact CZ-CG2 3.66Å; F55-V59 WeakPolarHBondContact O-CB 3.34Å; F55-V59 VanDerWaalsContact O-CG2 3.27Å; F55-V59 WeakPolarHBondContact O-CG2 3.25Å; F55-V59 PolarHBondContact O-N 3.42Å; V56-V59 PolarHBondContact O-N 3.34Å; H57-V59 VanDerWaalsContact C-N 3.34Å; H57-V59 PolarHBondContact O-N 3.37Å; V59-Y61 VanDerWaalsContact C-N 3.33Å; V59-Y61 PolarHBondContact O-N 2.82Å; V59-R62 PolarHBondContact O-N 3.4Å; V59-R62 VanDerWaalsContact O-N 3.13Å; V59-N63 PolarHBondContact O-N 2.72Å; V59-L66 HydrophobicContact CG1-CB 3.45Å; V59-L66 VanDerWaalsContact CG1-CB 3.45Å |
| 60 | R | 64.5 | Low | 71 | Confident | 68 Ų | 68 | 90.7 Ų | 90.7 | 26% | 0.257 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -55.1 | -44.2 | 176.8 | -166 | 174.6 | 172.8 | 159.7 | -9 | 113.4 | V56 H57 R58 R62 H67 P102 N103 | V56-R60 WeakPolarHBondContact O-CB 3.31Å; V56-R60 PolarHBondContact O-N 3.17Å; H57-R60 WeakPolarHBondContact O-CB 3.22Å; H57-R60 PolarHBondContact O-N 2.88Å; H57-R60 VanDerWaalsContact O-N 3.14Å; R58-R60 VanDerWaalsContact C-N 3.31Å; R58-R60 PolarHBondContact O-N 3.14Å; R60-R62 VanDerWaalsContact C-N 3.35Å; R60-H67 WeakPolarHBondContact CB-CD2 3.48Å; R60-H67 VanDerWaalsContact CG-CD2 3.48Å; R60-H67 WeakPolarHBondContact CG-CD2 3.38Å; R60-P102 PolarHBondContact NH2-O 3.5Å; R60-N103 VanDerWaalsContact NH2-CG 3.3Å; R60-N103 PolarHBondContact NH2-OD1 2.84Å |
| 61 | Y | 65.1 | Low | 70.8 | Confident | 181 Ų | 181 | 88 Ų | 88 | 71% | 0.71 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -74.5 | -28.4 | 179.5 | -77.9 | -89 | 0 | 0 | 0 | 112.6 | H57 R58 V59 | H57-Y61 AromaticContact CE1-CE2 3.25Å; H57-Y61 WeakPolarHBondContact CE1-CE2 3.43Å; H57-Y61 AromaticContact ND1-CE2 3.73Å; H57-Y61 AromaticContact NE2-CE2 3.52Å; H57-Y61 VanDerWaalsContact O-CD2 3.31Å; H57-Y61 WeakPolarHBondContact O-CD2 3.48Å; H57-Y61 PolarHBondContact O-N 2.72Å; R58-Y61 PolarHBondContact O-N 2.81Å; V59-Y61 VanDerWaalsContact C-N 3.33Å; V59-Y61 PolarHBondContact O-N 2.82Å |
| 62 | R | 69.8 | Low | 70.5 | Confident | 200 Ų | 200 | 85.3 Ų | 85.3 | 76% | 0.755 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -83.9 | -48.5 | -173.5 | -173 | 173 | 154.1 | -173 | -6.9 | 112.6 | R58 V59 R60 | R58-R62 PolarHBondContact O-N 3.47Å; V59-R62 PolarHBondContact O-N 3.4Å; V59-R62 VanDerWaalsContact O-N 3.13Å; R60-R62 VanDerWaalsContact C-N 3.35Å |
| 63 | N | 65.8 | Low | 70.5 | Confident | 70 Ų | 70 | 84.6 Ų | 84.6 | 37% | 0.374 | 42% | 0.419 | S | S | . | . | trans | -149.3 | 116.6 | -176.3 | -75.6 | -34.1 | 0 | 0 | 0 | 111.4 | V59 T65 L66 H67 | V59-N63 PolarHBondContact O-N 2.72Å; N63-T65 VanDerWaalsContact C-N 3.26Å; N63-T65 PolarHBondContact O-N 3.47Å; N63-L66 HydrophobicContact CB-CB 4.13Å; N63-L66 HydrophobicContact CB-CD1 4Å; N63-L66 HydrophobicContact CB-CG 4.04Å; N63-L66 PolarHBondContact O-N 2.81Å; N63-H67 PolarHBondContact O-N 3.01Å | ||
| 64 | A | 69.3 | Low | 70.4 | Confident | 72 Ų | 72 | 81.6 Ų | 81.6 | 60% | 0.595 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -60.4 | -33.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | H67 F68 | A64-H67 PolarHBondContact O-N 3.3Å; A64-F68 PolarHBondContact O-N 3.32Å |
| 65 | T | 68.7 | Low | 70.2 | Confident | 110 Ų | 110 | 80.2 Ų | 80.2 | 68% | 0.675 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66.3 | -44.3 | 178.8 | 52 | 0 | 0 | 0 | 0 | 112.3 | N63 H67 F68 L69 | N63-T65 VanDerWaalsContact C-N 3.26Å; N63-T65 PolarHBondContact O-N 3.47Å; T65-H67 VanDerWaalsContact C-N 3.32Å; T65-H67 PolarHBondContact O-N 3.48Å; T65-F68 PolarHBondContact O-N 3.31Å; T65-L69 PolarHBondContact O-N 3.39Å |
| 66 | L | 68.2 | Low | 70 | Confident | 77 Ų | 77 | 79 Ų | 79 | 40% | 0.403 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.6 | -37.6 | 176.3 | -69.7 | 179.2 | 0 | 0 | 0 | 111.3 | V59 N63 F68 L69 T70 | V59-L66 HydrophobicContact CG1-CB 3.45Å; V59-L66 VanDerWaalsContact CG1-CB 3.45Å; N63-L66 HydrophobicContact CB-CB 4.13Å; N63-L66 HydrophobicContact CB-CD1 4Å; N63-L66 HydrophobicContact CB-CG 4.04Å; N63-L66 PolarHBondContact O-N 2.81Å; L66-F68 VanDerWaalsContact C-N 3.34Å; L66-L69 PolarHBondContact O-N 2.8Å; L66-T70 WeakPolarHBondContact O-CG2 3.34Å; L66-T70 PolarHBondContact O-N 3.33Å; L66-T70 PolarHBondContact O-OG1 3.39Å |
| 67 | H | 67.7 | Low | 70.1 | Confident | 13 Ų | 13 | 83.6 Ų | 83.6 | 6% | 0.06 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.5 | -40 | 173.8 | -175.6 | -85.9 | 0 | 0 | 0 | 112.2 | R60 N63 A64 T65 T70 S71 | R60-H67 WeakPolarHBondContact CB-CD2 3.48Å; R60-H67 VanDerWaalsContact CG-CD2 3.48Å; R60-H67 WeakPolarHBondContact CG-CD2 3.38Å; N63-H67 PolarHBondContact O-N 3.01Å; A64-H67 PolarHBondContact O-N 3.3Å; T65-H67 VanDerWaalsContact C-N 3.32Å; T65-H67 PolarHBondContact O-N 3.48Å; H67-T70 WeakPolarHBondContact CA-OG1 3.12Å; H67-T70 PolarHBondContact O-OG1 3.35Å; H67-T70 VanDerWaalsContact O-OG1 3.13Å; H67-S71 PolarHBondContact CE1-OG 2.85Å; H67-S71 VanDerWaalsContact CE1-OG 3.23Å; H67-S71 PolarHBondContact ND1-OG 3.46Å; H67-S71 WeakPolarHBondContact O-CB 3.47Å; H67-S71 PolarHBondContact O-N 3.28Å; H67-S71 PolarHBondContact O-OG 2.84Å |
| 68 | F | 71 | Confident | 70 | Confident | 108 Ų | 108 | 80.1 Ų | 80.1 | 47% | 0.474 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.4 | -45.1 | 175.3 | -178.8 | -100.4 | 0 | 0 | 0 | 111.6 | A64 T65 L66 S71 S72 I109 | A64-F68 PolarHBondContact O-N 3.32Å; T65-F68 PolarHBondContact O-N 3.31Å; L66-F68 VanDerWaalsContact C-N 3.34Å; F68-S71 PolarHBondContact O-N 2.84Å; F68-S72 WeakPolarHBondContact O-CB 3.4Å; F68-S72 PolarHBondContact O-N 3.4Å; F68-I109 HydrophobicContact CB-CD1 4.48Å; F68-I109 HydrophobicContact CD2-CD1 4.11Å; F68-I109 HydrophobicContact CD2-CG2 4.37Å; F68-I109 HydrophobicContact CE2-CG2 4.26Å |
| 69 | L | 72.4 | Confident | 69.7 | Low | 120 Ų | 120 | 71.9 Ų | 71.9 | 63% | 0.628 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.2 | -47 | 179 | -165.5 | 76.4 | 0 | 0 | 0 | 111.7 | T65 L66 S72 S73 | T65-L69 PolarHBondContact O-N 3.39Å; L66-L69 PolarHBondContact O-N 2.8Å; L69-S72 PolarHBondContact O-N 3.45Å; L69-S73 WeakPolarHBondContact O-CB 3.33Å; L69-S73 PolarHBondContact O-N 2.9Å; L69-S73 PolarHBondContact O-OG 2.84Å |
| 70 | T | 73.6 | Confident | 69.8 | Low | 29 Ų | 29 | 77.2 Ų | 77.2 | 18% | 0.178 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.6 | -46.1 | 177.2 | 53.7 | 0 | 0 | 0 | 0 | 111.2 | L66 H67 S72 S73 L74 | L66-T70 WeakPolarHBondContact O-CG2 3.34Å; L66-T70 PolarHBondContact O-N 3.33Å; L66-T70 PolarHBondContact O-OG1 3.39Å; H67-T70 WeakPolarHBondContact CA-OG1 3.12Å; H67-T70 PolarHBondContact O-OG1 3.35Å; H67-T70 VanDerWaalsContact O-OG1 3.13Å; T70-S72 VanDerWaalsContact C-N 3.35Å; T70-S72 PolarHBondContact O-N 3.31Å; T70-S73 PolarHBondContact O-N 2.98Å; T70-S73 PolarHBondContact O-OG 2.72Å; T70-L74 WeakPolarHBondContact O-CB 3.19Å; T70-L74 VanDerWaalsContact O-CG 3.27Å; T70-L74 WeakPolarHBondContact O-CG 3.47Å; T70-L74 PolarHBondContact O-N 3.41Å |
| 71 | S | 73.3 | Confident | 69.9 | Low | 12 Ų | 12 | 77.2 Ų | 77.2 | 8% | 0.084 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61 | -41.8 | 177.2 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | H67 F68 L74 L75 F99 | H67-S71 PolarHBondContact CE1-OG 2.85Å; H67-S71 VanDerWaalsContact CE1-OG 3.23Å; H67-S71 PolarHBondContact ND1-OG 3.46Å; H67-S71 WeakPolarHBondContact O-CB 3.47Å; H67-S71 PolarHBondContact O-N 3.28Å; H67-S71 PolarHBondContact O-OG 2.84Å; F68-S71 PolarHBondContact O-N 2.84Å; S71-L74 PolarHBondContact O-N 3.36Å; S71-L75 WeakPolarHBondContact O-CB 3.47Å; S71-L75 PolarHBondContact O-N 3.27Å; S71-F99 WeakPolarHBondContact OG-CD1 3.24Å; S71-F99 WeakPolarHBondContact OG-CE1 3.34Å |
| 72 | S | 70.5 | Confident | 69.8 | Low | 51 Ų | 51 | 69.4 Ų | 69.4 | 36% | 0.357 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.7 | -46.1 | 177.1 | -171.5 | 0 | 0 | 0 | 0 | 111.4 | F68 L69 T70 L74 L75 C76 | F68-S72 WeakPolarHBondContact O-CB 3.4Å; F68-S72 PolarHBondContact O-N 3.4Å; L69-S72 PolarHBondContact O-N 3.45Å; T70-S72 VanDerWaalsContact C-N 3.35Å; T70-S72 PolarHBondContact O-N 3.31Å; S72-L74 VanDerWaalsContact C-N 3.32Å; S72-L74 PolarHBondContact O-N 3.18Å; S72-L75 WeakPolarHBondContact O-CB 3.37Å; S72-L75 PolarHBondContact O-N 3.48Å; S72-C76 PolarHBondContact O-N 2.85Å; S72-C76 PolarHBondContact O-SG 3.34Å; S72-C76 VanDerWaalsContact O-SG 3.32Å |
| 73 | S | 75.3 | Confident | 69.6 | Low | 59 Ų | 59 | 66.6 Ų | 66.6 | 41% | 0.413 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.2 | -40 | 177.7 | 68.5 | 0 | 0 | 0 | 0 | 112.2 | L69 T70 C76 I77 | L69-S73 WeakPolarHBondContact O-CB 3.33Å; L69-S73 PolarHBondContact O-N 2.9Å; L69-S73 PolarHBondContact O-OG 2.84Å; T70-S73 PolarHBondContact O-N 2.98Å; T70-S73 PolarHBondContact O-OG 2.72Å; S73-C76 PolarHBondContact O-N 3.17Å; S73-I77 WeakPolarHBondContact O-CG1 3.37Å; S73-I77 PolarHBondContact O-N 2.99Å |
| 74 | L | 73.6 | Confident | 69.6 | Low | 30 Ų | 30 | 69.3 Ų | 69.3 | 16% | 0.157 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 174.2 | -75.2 | 172.6 | 0 | 0 | 0 | 112 | F52 V56 T70 S71 S72 C76 I77 V78 F99 | F52-L74 HydrophobicContact CE1-CD1 3.39Å; F52-L74 HydrophobicContact CE1-CD2 3.61Å; F52-L74 HydrophobicContact CE1-CG 4Å; F52-L74 HydrophobicContact CZ-CD1 3.55Å; F52-L74 HydrophobicContact CZ-CD2 3.52Å; F52-L74 HydrophobicContact CZ-CG 3.84Å; V56-L74 HydrophobicContact CG2-CD1 4.31Å; T70-L74 WeakPolarHBondContact O-CB 3.19Å; T70-L74 VanDerWaalsContact O-CG 3.27Å; T70-L74 WeakPolarHBondContact O-CG 3.47Å; T70-L74 PolarHBondContact O-N 3.41Å; S71-L74 PolarHBondContact O-N 3.36Å; S72-L74 VanDerWaalsContact C-N 3.32Å; S72-L74 PolarHBondContact O-N 3.18Å; L74-C76 VanDerWaalsContact C-N 3.27Å; L74-C76 PolarHBondContact O-N 3.42Å; L74-I77 PolarHBondContact O-N 3.24Å; L74-V78 WeakPolarHBondContact O-CB 3.33Å; L74-V78 WeakPolarHBondContact O-CG2 3.13Å; L74-V78 PolarHBondContact O-N 3.33Å; L74-F99 HydrophobicContact CB-CZ 4.48Å; L74-F99 HydrophobicContact CD1-CE1 4Å; L74-F99 HydrophobicContact CD1-CE2 4.39Å; L74-F99 HydrophobicContact CD1-CZ 3.47Å; L74-F99 VanDerWaalsContact CD1-CZ 3.47Å |
| 75 | L | 70.6 | Confident | 69.5 | Low | 54 Ų | 54 | 68.4 Ų | 68.4 | 28% | 0.283 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.4 | -40.1 | 174.6 | -104.6 | 142.3 | 0 | 0 | 0 | 111.6 | S71 S72 G79 L96 | S71-L75 WeakPolarHBondContact O-CB 3.47Å; S71-L75 PolarHBondContact O-N 3.27Å; S72-L75 WeakPolarHBondContact O-CB 3.37Å; S72-L75 PolarHBondContact O-N 3.48Å; L75-G79 WeakPolarHBondContact O-CA 3.27Å; L75-G79 PolarHBondContact O-N 3.2Å; L75-L96 HydrophobicContact CD2-CD1 4.1Å; L75-L96 HydrophobicContact CD2-CG 4.44Å |
| 76 | C | 72.2 | Confident | 69.1 | Low | 85 Ų | 85 | 68 Ų | 68 | 57% | 0.574 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -65.2 | -48.3 | 175.3 | -68.4 | 0 | 0 | 0 | 0 | 112.4 | S72 S73 L74 V78 G79 F80 | S72-C76 PolarHBondContact O-N 2.85Å; S72-C76 PolarHBondContact O-SG 3.34Å; S72-C76 VanDerWaalsContact O-SG 3.32Å; S73-C76 PolarHBondContact O-N 3.17Å; L74-C76 VanDerWaalsContact C-N 3.27Å; L74-C76 PolarHBondContact O-N 3.42Å; C76-V78 VanDerWaalsContact C-N 3.34Å; C76-V78 PolarHBondContact O-N 2.81Å; C76-G79 PolarHBondContact O-N 3.36Å; C76-F80 WeakPolarHBondContact O-CB 3.43Å; C76-F80 PolarHBondContact O-N 2.88Å |
| 77 | I | 73.4 | Confident | 68.8 | Low | 106 Ų | 106 | 67.7 Ų | 67.7 | 54% | 0.544 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 179.6 | -65.4 | 165.1 | 0 | 0 | 0 | 110.3 | S73 L74 F80 V81 | S73-I77 WeakPolarHBondContact O-CG1 3.37Å; S73-I77 PolarHBondContact O-N 2.99Å; L74-I77 PolarHBondContact O-N 3.24Å; I77-F80 WeakPolarHBondContact O-CB 3.28Å; I77-F80 PolarHBondContact O-N 2.99Å; I77-V81 WeakPolarHBondContact O-CG2 3.26Å; I77-V81 PolarHBondContact O-N 2.83Å |
| 78 | V | 68.7 | Low | 68.4 | Low | 31 Ų | 31 | 69.5 Ų | 69.5 | 19% | 0.188 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -68.4 | -38.8 | 178.8 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | L74 C76 F80 V81 G82 Y92 I95 | L74-V78 WeakPolarHBondContact O-CB 3.33Å; L74-V78 WeakPolarHBondContact O-CG2 3.13Å; L74-V78 PolarHBondContact O-N 3.33Å; C76-V78 VanDerWaalsContact C-N 3.34Å; C76-V78 PolarHBondContact O-N 2.81Å; V78-F80 VanDerWaalsContact C-N 3.33Å; V78-V81 PolarHBondContact O-N 3.47Å; V78-G82 PolarHBondContact O-N 2.91Å; V78-Y92 HydrophobicContact CG1-CD2 4.17Å; V78-I95 HydrophobicContact CG1-CB 4.47Å; V78-I95 HydrophobicContact CG1-CD1 3.74Å; V78-I95 HydrophobicContact CG1-CG2 4.43Å; V78-I95 HydrophobicContact CG2-CD1 3.98Å; V78-I95 HydrophobicContact CG2-CG2 4.49Å |
| 79 | G | 63.2 | Low | 67.8 | Low | 16 Ų | 16 | 67.7 Ų | 67.7 | 17% | 0.165 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L75 C76 G82 I83 | L75-G79 WeakPolarHBondContact O-CA 3.27Å; L75-G79 PolarHBondContact O-N 3.2Å; C76-G79 PolarHBondContact O-N 3.36Å; G79-G82 PolarHBondContact O-N 2.86Å; G79-I83 VanDerWaalsContact O-CG1 3.27Å; G79-I83 WeakPolarHBondContact O-CG1 3.17Å; G79-I83 PolarHBondContact O-N 3.35Å |
| 80 | F | 69.2 | Low | 67.1 | Low | 130 Ų | 130 | 65.7 Ų | 65.7 | 57% | 0.57 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -61.3 | -49.3 | 174.1 | -177.5 | -100.8 | 0 | 0 | 0 | 111.7 | C76 I77 V78 G82 I83 H84 | C76-F80 WeakPolarHBondContact O-CB 3.43Å; C76-F80 PolarHBondContact O-N 2.88Å; I77-F80 WeakPolarHBondContact O-CB 3.28Å; I77-F80 PolarHBondContact O-N 2.99Å; V78-F80 VanDerWaalsContact C-N 3.33Å; F80-G82 VanDerWaalsContact C-N 3.33Å; F80-G82 PolarHBondContact O-N 3.44Å; F80-I83 PolarHBondContact O-N 2.87Å; F80-H84 AromaticContact CD1-CD2 3.92Å; F80-H84 AromaticContact CD2-NE2 3.93Å; F80-H84 AromaticContact CE1-CD2 3.59Å; F80-H84 AromaticContact CE1-NE2 3.77Å; F80-H84 AromaticContact CE2-CD2 3.68Å; F80-H84 AromaticContact CE2-NE2 3.22Å; F80-H84 WeakPolarHBondContact CE2-NE2 3.42Å; F80-H84 AromaticContact CZ-CD2 3.47Å; F80-H84 VanDerWaalsContact CZ-CD2 3.47Å; F80-H84 WeakPolarHBondContact CZ-CD2 3.43Å; F80-H84 AromaticContact CZ-NE2 3.13Å; F80-H84 WeakPolarHBondContact CZ-NE2 3.34Å; F80-H84 PolarHBondContact O-CD2 3.13Å; F80-H84 PolarHBondContact O-N 3.41Å |
| 81 | V | 66.5 | Low | 66.6 | Low | 67 Ų | 67 | 66.3 Ų | 66.3 | 41% | 0.406 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.6 | -44.3 | 176.1 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | I77 V78 I83 H84 T85 L88 | I77-V81 WeakPolarHBondContact O-CG2 3.26Å; I77-V81 PolarHBondContact O-N 2.83Å; V78-V81 PolarHBondContact O-N 3.47Å; V81-I83 VanDerWaalsContact C-N 3.35Å; V81-I83 PolarHBondContact O-N 3.42Å; V81-H84 PolarHBondContact O-N 2.77Å; V81-H84 VanDerWaalsContact O-N 3.11Å; V81-T85 PolarHBondContact O-N 3.45Å; V81-T85 PolarHBondContact O-OG1 2.83Å; V81-L88 HydrophobicContact CG1-CD1 4Å |
| 82 | G | 62.9 | Low | 66.1 | Low | 17 Ų | 17 | 69.5 Ų | 69.5 | 18% | 0.175 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.8 | -34.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | V78 G79 F80 H84 T85 | V78-G82 PolarHBondContact O-N 2.91Å; G79-G82 PolarHBondContact O-N 2.86Å; F80-G82 VanDerWaalsContact C-N 3.33Å; F80-G82 PolarHBondContact O-N 3.44Å; G82-H84 VanDerWaalsContact C-N 3.34Å; G82-T85 CarbonylContact O-C 3.55Å; G82-T85 VanDerWaalsContact O-O 3.06Å |
| 83 | I | 65.2 | Low | 65.7 | Low | 141 Ų | 141 | 71 Ų | 71 | 72% | 0.723 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -66.8 | -39 | 173 | -69.2 | 163.6 | 0 | 0 | 0 | 110.7 | G79 F80 V81 | G79-I83 VanDerWaalsContact O-CG1 3.27Å; G79-I83 WeakPolarHBondContact O-CG1 3.17Å; G79-I83 PolarHBondContact O-N 3.35Å; F80-I83 PolarHBondContact O-N 2.87Å; V81-I83 VanDerWaalsContact C-N 3.35Å; V81-I83 PolarHBondContact O-N 3.42Å |
| 84 | H | 67.2 | Low | 65.1 | Low | 128 Ų | 128 | 69.5 Ų | 69.5 | 59% | 0.593 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -77.1 | -23 | -177.7 | -79.6 | -66.1 | 0 | 0 | 0 | 114.1 | F80 V81 G82 | F80-H84 AromaticContact CD1-CD2 3.92Å; F80-H84 AromaticContact CD2-NE2 3.93Å; F80-H84 AromaticContact CE1-CD2 3.59Å; F80-H84 AromaticContact CE1-NE2 3.77Å; F80-H84 AromaticContact CE2-CD2 3.68Å; F80-H84 AromaticContact CE2-NE2 3.22Å; F80-H84 WeakPolarHBondContact CE2-NE2 3.42Å; F80-H84 AromaticContact CZ-CD2 3.47Å; F80-H84 VanDerWaalsContact CZ-CD2 3.47Å; F80-H84 WeakPolarHBondContact CZ-CD2 3.43Å; F80-H84 AromaticContact CZ-NE2 3.13Å; F80-H84 WeakPolarHBondContact CZ-NE2 3.34Å; F80-H84 PolarHBondContact O-CD2 3.13Å; F80-H84 PolarHBondContact O-N 3.41Å; V81-H84 PolarHBondContact O-N 2.77Å; V81-H84 VanDerWaalsContact O-N 3.11Å; G82-H84 VanDerWaalsContact C-N 3.34Å |
| 85 | T | 67 | Low | 64.6 | Low | 52 Ų | 52 | 70.1 Ų | 70.1 | 32% | 0.319 | 39% | 0.388 | S | S | . | . | trans | -121.9 | 98.8 | 179.1 | 55.8 | 0 | 0 | 0 | 0 | 109.6 | V81 G82 D87 L88 | V81-T85 PolarHBondContact O-N 3.45Å; V81-T85 PolarHBondContact O-OG1 2.83Å; G82-T85 CarbonylContact O-C 3.55Å; G82-T85 VanDerWaalsContact O-O 3.06Å; T85-D87 PolarHBondContact O-N 3.39Å; T85-L88 HydrophobicContact CG2-CD1 4.18Å; T85-L88 PolarHBondContact O-N 3.34Å; T85-L88 VanDerWaalsContact OG1-CB 3.28Å; T85-L88 WeakPolarHBondContact OG1-CB 3.39Å; T85-L88 WeakPolarHBondContact OG1-CD1 2.84Å; T85-L88 WeakPolarHBondContact OG1-CG 3.29Å | ||
| 86 | S | 59.3 | Low | 64.3 | Low | 103 Ų | 103 | 69.5 Ų | 69.5 | 72% | 0.72 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -46.4 | -33.4 | 178 | 51.1 | 0 | 0 | 0 | 0 | 113.5 | ||
| 87 | D | 61.4 | Low | 63.8 | Low | 70 Ų | 70 | 67.7 Ų | 67.7 | 37% | 0.374 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -84.3 | -11.6 | -172.4 | -53.7 | -15.6 | 0 | 0 | 0 | 113.5 | T85 | T85-D87 PolarHBondContact O-N 3.39Š|
| 88 | L | 60.9 | Low | 63.2 | Low | 50 Ų | 50 | 65.1 Ų | 65.1 | 26% | 0.262 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -95.9 | 8.5 | -178.8 | -57.2 | -173 | 0 | 0 | 0 | 113.7 | F14 V81 T85 L90 V91 Y92 | F14-L88 HydrophobicContact CE1-CD2 3.76Å; F14-L88 HydrophobicContact CZ-CD2 3.46Å; F14-L88 VanDerWaalsContact CZ-CD2 3.46Å; V81-L88 HydrophobicContact CG1-CD1 4Å; T85-L88 HydrophobicContact CG2-CD1 4.18Å; T85-L88 PolarHBondContact O-N 3.34Å; T85-L88 VanDerWaalsContact OG1-CB 3.28Å; T85-L88 WeakPolarHBondContact OG1-CB 3.39Å; T85-L88 WeakPolarHBondContact OG1-CD1 2.84Å; T85-L88 WeakPolarHBondContact OG1-CG 3.29Å; L88-L90 PolarHBondContact O-N 3.47Å; L88-V91 HydrophobicContact CB-CB 4.42Å; L88-V91 HydrophobicContact CD2-CG2 4.17Å; L88-V91 WeakPolarHBondContact O-CA 3.19Å; L88-V91 WeakPolarHBondContact O-CB 3.22Å; L88-V91 PolarHBondContact O-N 3.39Å; L88-Y92 PolarHBondContact O-N 2.92Å |
| 89 | C | 57.8 | Low | 62.7 | Low | 71 Ų | 71 | 65.6 Ų | 65.6 | 48% | 0.48 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -54 | -36.9 | 175.3 | -177.1 | 0 | 0 | 0 | 0 | 112.2 | V91 Y92 L93 | C89-V91 PolarHBondContact O-N 2.78Å; C89-Y92 WeakPolarHBondContact O-CB 2.95Å; C89-Y92 PolarHBondContact O-N 3.38Å; C89-L93 WeakPolarHBondContact O-CG 3.31Å; C89-L93 PolarHBondContact O-N 2.9Å |
| 90 | L | 58.2 | Low | 62.5 | Low | 77 Ų | 77 | 68.1 Ų | 68.1 | 40% | 0.403 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.3 | -38.5 | 174.7 | -76 | 173.2 | 0 | 0 | 0 | 112.9 | Y13 L88 Y92 L93 L94 | Y13-L90 HydrophobicContact CD1-CD1 4.18Å; Y13-L90 HydrophobicContact CD2-CD1 4.43Å; Y13-L90 HydrophobicContact CG-CD1 4.07Å; L88-L90 PolarHBondContact O-N 3.47Å; L90-Y92 VanDerWaalsContact C-N 3.33Å; L90-L93 PolarHBondContact O-N 2.97Å; L90-L94 VanDerWaalsContact O-CB 3.31Å; L90-L94 WeakPolarHBondContact O-CB 3.15Å; L90-L94 PolarHBondContact O-N 2.71Å |
| 91 | V | 62.9 | Low | 61.8 | Low | 43 Ų | 43 | 64 Ų | 64 | 26% | 0.261 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.9 | -39.7 | 175.4 | -179.8 | 0 | 0 | 0 | 0 | 110.2 | F14 L88 C89 L94 I95 | F14-V91 HydrophobicContact CE2-CG2 3.46Å; F14-V91 VanDerWaalsContact CE2-CG2 3.46Å; F14-V91 HydrophobicContact CZ-CG2 3.57Å; L88-V91 HydrophobicContact CB-CB 4.42Å; L88-V91 HydrophobicContact CD2-CG2 4.17Å; L88-V91 WeakPolarHBondContact O-CA 3.19Å; L88-V91 WeakPolarHBondContact O-CB 3.22Å; L88-V91 PolarHBondContact O-N 3.39Å; C89-V91 PolarHBondContact O-N 2.78Å; V91-L94 PolarHBondContact O-N 2.98Å; V91-I95 HydrophobicContact CG1-CD1 3.74Å; V91-I95 HydrophobicContact CG1-CG1 4.3Å; V91-I95 WeakPolarHBondContact O-CB 3.16Å; V91-I95 VanDerWaalsContact O-CG1 3.28Å; V91-I95 WeakPolarHBondContact O-CG1 3.42Å; V91-I95 PolarHBondContact O-N 3.01Å |
| 92 | Y | 61.4 | Low | 61.1 | Low | 78 Ų | 78 | 64 Ų | 64 | 31% | 0.306 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.2 | -50.3 | 172.6 | 172.9 | -95.3 | 0 | 0 | 0 | 111.4 | V78 L88 C89 L90 L94 I95 L96 | V78-Y92 HydrophobicContact CG1-CD2 4.17Å; L88-Y92 PolarHBondContact O-N 2.92Å; C89-Y92 WeakPolarHBondContact O-CB 2.95Å; C89-Y92 PolarHBondContact O-N 3.38Å; L90-Y92 VanDerWaalsContact C-N 3.33Å; Y92-L94 VanDerWaalsContact C-N 3.34Å; Y92-L94 PolarHBondContact O-N 3.39Å; Y92-I95 PolarHBondContact O-N 2.89Å; Y92-L96 HydrophobicContact CE1-CD1 3.73Å; Y92-L96 HydrophobicContact CE2-CD1 4.42Å; Y92-L96 WeakPolarHBondContact O-CB 3.48Å; Y92-L96 PolarHBondContact O-N 3.41Å; Y92-L96 WeakPolarHBondContact OH-CD1 3.32Å |
| 93 | L | 62.3 | Low | 60.2 | Low | 83 Ų | 83 | 65.4 Ų | 65.4 | 44% | 0.435 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 176.5 | -70.8 | 177.2 | 0 | 0 | 0 | 112.1 | C89 L90 L96 V97 | C89-L93 WeakPolarHBondContact O-CG 3.31Å; C89-L93 PolarHBondContact O-N 2.9Å; L90-L93 PolarHBondContact O-N 2.97Å; L93-L96 PolarHBondContact O-N 2.98Å; L93-V97 WeakPolarHBondContact O-CB 3.4Å; L93-V97 WeakPolarHBondContact O-CG2 3.33Å; L93-V97 PolarHBondContact O-N 2.94Å |
| 94 | L | 62.5 | Low | 59.2 | Low | 27 Ų | 27 | 64.6 Ų | 64.6 | 14% | 0.141 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.7 | -47.2 | 178.2 | -172.5 | 86 | 0 | 0 | 0 | 111.2 | L6 L7 L90 V91 Y92 V97 C98 | L6-L94 HydrophobicContact CB-CD1 3.55Å; L7-L94 HydrophobicContact CD2-CD1 4.05Å; L7-L94 HydrophobicContact CD2-CD2 3.77Å; L7-L94 HydrophobicContact CD2-CG 4.41Å; L7-L94 HydrophobicContact CG-CD1 4.11Å; L90-L94 VanDerWaalsContact O-CB 3.31Å; L90-L94 WeakPolarHBondContact O-CB 3.15Å; L90-L94 PolarHBondContact O-N 2.71Å; V91-L94 PolarHBondContact O-N 2.98Å; Y92-L94 VanDerWaalsContact C-N 3.34Å; Y92-L94 PolarHBondContact O-N 3.39Å; L94-V97 PolarHBondContact O-N 2.91Å; L94-C98 WeakPolarHBondContact O-CB 3.21Å; L94-C98 PolarHBondContact O-N 2.87Å; L94-C98 PolarHBondContact O-SG 3.32Å |
| 95 | I | 63.7 | Low | 58 | Low | 44 Ų | 44 | 64.7 Ų | 64.7 | 23% | 0.226 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.3 | -46.3 | 178.3 | -69.7 | 172.5 | 0 | 0 | 0 | 109.6 | V78 V91 Y92 V97 C98 F99 | V78-I95 HydrophobicContact CG1-CB 4.47Å; V78-I95 HydrophobicContact CG1-CD1 3.74Å; V78-I95 HydrophobicContact CG1-CG2 4.43Å; V78-I95 HydrophobicContact CG2-CD1 3.98Å; V78-I95 HydrophobicContact CG2-CG2 4.49Å; V91-I95 HydrophobicContact CG1-CD1 3.74Å; V91-I95 HydrophobicContact CG1-CG1 4.3Å; V91-I95 WeakPolarHBondContact O-CB 3.16Å; V91-I95 VanDerWaalsContact O-CG1 3.28Å; V91-I95 WeakPolarHBondContact O-CG1 3.42Å; V91-I95 PolarHBondContact O-N 3.01Å; Y92-I95 PolarHBondContact O-N 2.89Å; I95-V97 VanDerWaalsContact C-N 3.34Å; I95-V97 PolarHBondContact O-N 3.37Å; I95-C98 CarbonylContact O-C 3.48Å; I95-C98 PolarHBondContact O-N 3.02Å; I95-C98 VanDerWaalsContact O-N 3.13Å; I95-F99 HydrophobicContact CG2-CD2 3.53Å; I95-F99 HydrophobicContact CG2-CE2 3.77Å; I95-F99 WeakPolarHBondContact O-CB 3.28Å; I95-F99 WeakPolarHBondContact O-CD2 3.36Å; I95-F99 PolarHBondContact O-N 3.11Å |
| 96 | L | 64.3 | Low | 57.2 | Low | 41 Ų | 41 | 67.4 Ų | 67.4 | 22% | 0.215 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.2 | -46.3 | 178.1 | -171.9 | 146.6 | 0 | 0 | 0 | 110.9 | L75 Y92 L93 F99 I100 | L75-L96 HydrophobicContact CD2-CD1 4.1Å; L75-L96 HydrophobicContact CD2-CG 4.44Å; Y92-L96 HydrophobicContact CE1-CD1 3.73Å; Y92-L96 HydrophobicContact CE2-CD1 4.42Å; Y92-L96 WeakPolarHBondContact O-CB 3.48Å; Y92-L96 PolarHBondContact O-N 3.41Å; Y92-L96 WeakPolarHBondContact OH-CD1 3.32Å; L93-L96 PolarHBondContact O-N 2.98Å; L96-F99 PolarHBondContact O-N 3.26Å; L96-I100 HydrophobicContact CD2-CD1 3.33Å; L96-I100 HydrophobicContact CD2-CG1 4.49Å; L96-I100 HydrophobicContact CG-CD1 3.81Å; L96-I100 VanDerWaalsContact O-CB 3.26Å; L96-I100 WeakPolarHBondContact O-CB 3.49Å; L96-I100 WeakPolarHBondContact O-CD1 3.39Å; L96-I100 WeakPolarHBondContact O-CG1 3.43Å; L96-I100 PolarHBondContact O-N 3.19Å |
| 97 | V | 62.1 | Low | 56.9 | Low | 47 Ų | 47 | 71.4 Ų | 71.4 | 29% | 0.285 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 173.9 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | L6 L93 L94 I95 F99 I100 A101 | L6-V97 HydrophobicContact CD1-CB 4.18Å; L6-V97 HydrophobicContact CD1-CG1 3.95Å; L6-V97 HydrophobicContact CD1-CG2 4.11Å; L93-V97 WeakPolarHBondContact O-CB 3.4Å; L93-V97 WeakPolarHBondContact O-CG2 3.33Å; L93-V97 PolarHBondContact O-N 2.94Å; L94-V97 PolarHBondContact O-N 2.91Å; I95-V97 VanDerWaalsContact C-N 3.34Å; I95-V97 PolarHBondContact O-N 3.37Å; V97-F99 VanDerWaalsContact C-N 3.31Å; V97-F99 PolarHBondContact O-N 2.85Å; V97-I100 PolarHBondContact O-N 3.27Å; V97-A101 HydrophobicContact CG1-CB 4.31Å; V97-A101 WeakPolarHBondContact O-CA 3.31Å; V97-A101 WeakPolarHBondContact O-CB 3.35Å; V97-A101 PolarHBondContact O-N 3.48Å |
| 98 | C | 60.6 | Low | 56.1 | Low | 51 Ų | 51 | 69.6 Ų | 69.6 | 35% | 0.345 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.8 | -28.8 | 178.9 | -76.7 | 0 | 0 | 0 | 0 | 113.5 | L94 I95 P102 | L94-C98 WeakPolarHBondContact O-CB 3.21Å; L94-C98 PolarHBondContact O-N 2.87Å; L94-C98 PolarHBondContact O-SG 3.32Å; I95-C98 CarbonylContact O-C 3.48Å; I95-C98 PolarHBondContact O-N 3.02Å; I95-C98 VanDerWaalsContact O-N 3.13Å; C98-P102 WeakPolarHBondContact O-CD 3.45Å; C98-P102 WeakPolarHBondContact O-CG 3.25Å |
| 99 | F | 58 | Low | 55.9 | Low | 41 Ų | 41 | 70.1 Ų | 70.1 | 18% | 0.18 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -80 | -37.2 | 173.9 | -91.7 | -87.6 | 0 | 0 | 0 | 111.8 | V56 S71 L74 I95 L96 V97 | V56-F99 HydrophobicContact CG1-CE1 4.43Å; S71-F99 WeakPolarHBondContact OG-CD1 3.24Å; S71-F99 WeakPolarHBondContact OG-CE1 3.34Å; L74-F99 HydrophobicContact CB-CZ 4.48Å; L74-F99 HydrophobicContact CD1-CE1 4Å; L74-F99 HydrophobicContact CD1-CE2 4.39Å; L74-F99 HydrophobicContact CD1-CZ 3.47Å; L74-F99 VanDerWaalsContact CD1-CZ 3.47Å; I95-F99 HydrophobicContact CG2-CD2 3.53Å; I95-F99 HydrophobicContact CG2-CE2 3.77Å; I95-F99 WeakPolarHBondContact O-CB 3.28Å; I95-F99 WeakPolarHBondContact O-CD2 3.36Å; I95-F99 PolarHBondContact O-N 3.11Å; L96-F99 PolarHBondContact O-N 3.26Å; V97-F99 VanDerWaalsContact C-N 3.31Å; V97-F99 PolarHBondContact O-N 2.85Å |
| 100 | I | 59.9 | Low | 55.7 | Low | 70 Ų | 70 | 71 Ų | 71 | 36% | 0.359 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -77 | -46.3 | 179.5 | -67.1 | 172.4 | 0 | 0 | 0 | 111.2 | L96 V97 N103 L104 L110 | L96-I100 HydrophobicContact CD2-CD1 3.33Å; L96-I100 HydrophobicContact CD2-CG1 4.49Å; L96-I100 HydrophobicContact CG-CD1 3.81Å; L96-I100 VanDerWaalsContact O-CB 3.26Å; L96-I100 WeakPolarHBondContact O-CB 3.49Å; L96-I100 WeakPolarHBondContact O-CD1 3.39Å; L96-I100 WeakPolarHBondContact O-CG1 3.43Å; L96-I100 PolarHBondContact O-N 3.19Å; V97-I100 PolarHBondContact O-N 3.27Å; I100-N103 CarbonylContact O-C 3.47Å; I100-N103 PolarHBondContact O-N 3.49Å; I100-L104 HydrophobicContact CG2-CD1 3.63Å; I100-L104 WeakPolarHBondContact O-CD1 3.43Å; I100-L104 PolarHBondContact O-N 2.82Å; I100-L110 HydrophobicContact CG2-CD1 4.4Å |
| 101 | A | 53.9 | Low | 55.6 | Low | 42 Ų | 42 | 73.6 Ų | 73.6 | 35% | 0.347 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -57.5 | -46.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | V97 N103 L104 | V97-A101 HydrophobicContact CG1-CB 4.31Å; V97-A101 WeakPolarHBondContact O-CA 3.31Å; V97-A101 WeakPolarHBondContact O-CB 3.35Å; V97-A101 PolarHBondContact O-N 3.48Å; A101-N103 PolarHBondContact O-N 3.07Å; A101-L104 PolarHBondContact O-N 3.44Å |
| 102 | P | 50.7 | Low | 55.7 | Low | 67 Ų | 67 | 75.5 Ų | 75.5 | 44% | 0.435 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -74.1 | -11 | 179 | 29.6 | -33.3 | 0 | 0 | 0 | 112.3 | R60 C98 | R60-P102 PolarHBondContact NH2-O 3.5Å; C98-P102 WeakPolarHBondContact O-CD 3.45Å; C98-P102 WeakPolarHBondContact O-CG 3.25Å |
| 103 | N | 46 | Very low | 55.9 | Low | 48 Ų | 48 | 75.3 Ų | 75.3 | 26% | 0.257 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -104.4 | 16.4 | 175.3 | -106.3 | -8.7 | 0 | 0 | 0 | 113.8 | R60 I100 A101 H105 | R60-N103 VanDerWaalsContact NH2-CG 3.3Å; R60-N103 PolarHBondContact NH2-OD1 2.84Å; I100-N103 CarbonylContact O-C 3.47Å; I100-N103 PolarHBondContact O-N 3.49Å; A101-N103 PolarHBondContact O-N 3.07Å; N103-H105 PolarHBondContact O-N 3.47Å |
| 104 | L | 44.2 | Very low | 56.2 | Low | 123 Ų | 123 | 75.2 Ų | 75.2 | 64% | 0.644 | 41% | 0.413 | S | S | * | . | trans | -70.6 | 14.4 | 160.3 | -96.8 | 86.4 | 0 | 0 | 0 | 113.3 | I100 A101 | I100-L104 HydrophobicContact CG2-CD1 3.63Å; I100-L104 WeakPolarHBondContact O-CD1 3.43Å; I100-L104 PolarHBondContact O-N 2.82Å; A101-L104 PolarHBondContact O-N 3.44Å | ||
| 105 | H | 40.7 | Very low | 56.4 | Low | 131 Ų | 131 | 81.3 Ų | 81.3 | 61% | 0.606 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -57.7 | 129.6 | 166.1 | -165.9 | -85.6 | 0 | 0 | 0 | 108.6 | N103 K107 G108 | N103-H105 PolarHBondContact O-N 3.47Å; H105-K107 PolarHBondContact O-N 3.26Å; H105-G108 PolarHBondContact O-N 3.49Å |
| 106 | P | 51.3 | Low | 57 | Low | 108 Ų | 108 | 84.3 Ų | 84.3 | 70% | 0.701 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 21.2 | -163.3 | 25.5 | -35 | 0 | 0 | 0 | 116.2 | ||
| 107 | K | 52.6 | Low | 57.5 | Low | 188 Ų | 188 | 87.6 Ų | 87.6 | 82% | 0.817 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.4 | 5.5 | 179.9 | -77.3 | -172.8 | 174.8 | 178.6 | 0 | 116.5 | H105 | H105-K107 PolarHBondContact O-N 3.26Š|
| 108 | G | 44.8 | Very low | 58.2 | Low | 31 Ų | 31 | 93.1 Ų | 93.1 | 32% | 0.32 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -127.7 | 120.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | H105 L110 | H105-G108 PolarHBondContact O-N 3.49Å; G108-L110 VanDerWaalsContact C-N 3.28Å; G108-L110 PolarHBondContact O-N 3.5Å |
| 109 | I | 56.4 | Low | 58.8 | Low | 61 Ų | 61 | 96.6 Ų | 96.6 | 31% | 0.313 | 49% | 0.49 | S | S | . | . | S | Bend | trans | 65 | -51.2 | 161.9 | -56.6 | 164.8 | 0 | 0 | 0 | 116.9 | F68 M111 V112 I113 | F68-I109 HydrophobicContact CB-CD1 4.48Å; F68-I109 HydrophobicContact CD2-CD1 4.11Å; F68-I109 HydrophobicContact CD2-CG2 4.37Å; F68-I109 HydrophobicContact CE2-CG2 4.26Å; I109-M111 PolarHBondContact O-N 3.33Å; I109-V112 CarbonylContact O-C 3.54Å; I109-V112 WeakPolarHBondContact O-CA 3.27Å; I109-V112 WeakPolarHBondContact O-CB 3.01Å; I109-V112 PolarHBondContact O-N 3.28Å; I109-I113 HydrophobicContact CG2-CD1 3.63Å; I109-I113 HydrophobicContact CG2-CG1 4.13Å; I109-I113 WeakPolarHBondContact O-CG1 3.17Å; I109-I113 PolarHBondContact O-N 3.49Å |
| 110 | L | 52.5 | Low | 59.5 | Low | 91 Ų | 91 | 98 Ų | 98 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.2 | -37.4 | -177.6 | -153.2 | 150.8 | 0 | 0 | 0 | 111.1 | I100 G108 V112 I113 V114 | I100-L110 HydrophobicContact CG2-CD1 4.4Å; G108-L110 VanDerWaalsContact C-N 3.28Å; G108-L110 PolarHBondContact O-N 3.5Å; L110-V112 PolarHBondContact O-N 3.23Å; L110-I113 PolarHBondContact O-N 3.28Å; L110-V114 HydrophobicContact CD2-CG2 3.68Å; L110-V114 VanDerWaalsContact O-CB 3.29Å; L110-V114 WeakPolarHBondContact O-CB 3.34Å; L110-V114 VanDerWaalsContact O-CG2 3.24Å; L110-V114 WeakPolarHBondContact O-CG2 3.25Å; L110-V114 PolarHBondContact O-N 3.08Å |
| 111 | M | 57 | Low | 60.3 | Low | 131 Ų | 131 | 99.2 Ų | 99.2 | 65% | 0.645 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.7 | -38.4 | 168.1 | -170.9 | -176.3 | 162 | 0 | 0 | 110.8 | I109 W115 | I109-M111 PolarHBondContact O-N 3.33Å; M111-W115 WeakPolarHBondContact O-CB 3.02Å; M111-W115 PolarHBondContact O-N 3.34Å |
| 112 | V | 64.3 | Low | 61.4 | Low | 82 Ų | 82 | 99.9 Ų | 99.9 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.9 | -42.6 | 177 | -179.5 | 0 | 0 | 0 | 0 | 111.3 | I109 L110 W115 I116 | I109-V112 CarbonylContact O-C 3.54Å; I109-V112 WeakPolarHBondContact O-CA 3.27Å; I109-V112 WeakPolarHBondContact O-CB 3.01Å; I109-V112 PolarHBondContact O-N 3.28Å; L110-V112 PolarHBondContact O-N 3.23Å; V112-W115 CarbonylContact O-C 3.57Å; V112-W115 PolarHBondContact O-N 3.49Å; V112-I116 HydrophobicContact CG1-CD1 3.67Å; V112-I116 HydrophobicContact CG1-CG1 4.21Å; V112-I116 WeakPolarHBondContact O-CB 3.48Å; V112-I116 WeakPolarHBondContact O-CG1 3.35Å; V112-I116 PolarHBondContact O-N 3.17Å |
| 113 | I | 66.2 | Low | 62.7 | Low | 75 Ų | 75 | 99.9 Ų | 99.9 | 39% | 0.385 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.7 | -45.2 | 177.9 | -68.5 | 169.3 | 0 | 0 | 0 | 110.3 | I109 L110 W115 I116 L117 | I109-I113 HydrophobicContact CG2-CD1 3.63Å; I109-I113 HydrophobicContact CG2-CG1 4.13Å; I109-I113 WeakPolarHBondContact O-CG1 3.17Å; I109-I113 PolarHBondContact O-N 3.49Å; L110-I113 PolarHBondContact O-N 3.28Å; I113-W115 VanDerWaalsContact C-N 3.27Å; I113-W115 PolarHBondContact O-N 3.21Å; I113-I116 PolarHBondContact O-N 2.84Å; I113-L117 HydrophobicContact CG2-CD1 3.78Å; I113-L117 WeakPolarHBondContact O-CB 3.46Å; I113-L117 PolarHBondContact O-N 3.44Å |
| 114 | V | 69.2 | Low | 64.2 | Low | 80 Ų | 80 | 103.7 Ų | 103.7 | 49% | 0.485 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.7 | -42.1 | 172.8 | 169.3 | 0 | 0 | 0 | 0 | 109.7 | L110 L117 W118 | L110-V114 HydrophobicContact CD2-CG2 3.68Å; L110-V114 VanDerWaalsContact O-CB 3.29Å; L110-V114 WeakPolarHBondContact O-CB 3.34Å; L110-V114 VanDerWaalsContact O-CG2 3.24Å; L110-V114 WeakPolarHBondContact O-CG2 3.25Å; L110-V114 PolarHBondContact O-N 3.08Å; V114-L117 PolarHBondContact O-N 3.17Å; V114-W118 WeakPolarHBondContact O-CB 3.44Å; V114-W118 PolarHBondContact O-N 3.46Å |
| 115 | W | 66.6 | Low | 65.8 | Low | 156 Ų | 156 | 107.4 Ų | 107.4 | 59% | 0.591 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.2 | -42.9 | 176.5 | -153.4 | 84.4 | 0 | 0 | 0 | 112 | M111 V112 I113 L117 W118 Y119 | M111-W115 WeakPolarHBondContact O-CB 3.02Å; M111-W115 PolarHBondContact O-N 3.34Å; V112-W115 CarbonylContact O-C 3.57Å; V112-W115 PolarHBondContact O-N 3.49Å; I113-W115 VanDerWaalsContact C-N 3.27Å; I113-W115 PolarHBondContact O-N 3.21Å; W115-L117 VanDerWaalsContact C-N 3.35Å; W115-L117 PolarHBondContact O-N 2.98Å; W115-W118 PolarHBondContact O-N 2.85Å; W115-Y119 AromaticContact CH2-CD2 3.96Å; W115-Y119 HydrophobicContact CH2-CD2 3.96Å; W115-Y119 HydrophobicContact CH2-CE2 4.09Å; W115-Y119 HydrophobicContact CZ2-CD2 4.38Å; W115-Y119 HydrophobicContact CZ3-CD2 4.08Å; W115-Y119 HydrophobicContact CZ3-CE2 4.47Å; W115-Y119 HydrophobicContact CZ3-CG 4.47Å; W115-Y119 WeakPolarHBondContact O-CB 3.38Å; W115-Y119 PolarHBondContact O-N 2.92Å |
| 116 | I | 76.3 | Confident | 67.5 | Low | 106 Ų | 106 | 104.3 Ų | 104.3 | 54% | 0.544 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64 | -36.9 | 175.7 | -73 | 167.5 | 0 | 0 | 0 | 111.4 | V112 I113 P120 | V112-I116 HydrophobicContact CG1-CD1 3.67Å; V112-I116 HydrophobicContact CG1-CG1 4.21Å; V112-I116 WeakPolarHBondContact O-CB 3.48Å; V112-I116 WeakPolarHBondContact O-CG1 3.35Å; V112-I116 PolarHBondContact O-N 3.17Å; I113-I116 PolarHBondContact O-N 2.84Å; I116-P120 WeakPolarHBondContact O-CD 3.34Å; I116-P120 WeakPolarHBondContact O-CG 3.47Å |
| 117 | L | 73.9 | Confident | 68.6 | Low | 111 Ų | 111 | 104.5 Ų | 104.5 | 58% | 0.581 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -75.7 | -37.5 | 174.7 | -101.2 | 121.8 | 0 | 0 | 0 | 111.8 | I113 V114 W115 P120 I121 | I113-L117 HydrophobicContact CG2-CD1 3.78Å; I113-L117 WeakPolarHBondContact O-CB 3.46Å; I113-L117 PolarHBondContact O-N 3.44Å; V114-L117 PolarHBondContact O-N 3.17Å; W115-L117 VanDerWaalsContact C-N 3.35Å; W115-L117 PolarHBondContact O-N 2.98Å; L117-P120 WeakPolarHBondContact O-CD 3.42Å; L117-P120 WeakPolarHBondContact O-CG 3.45Å; L117-I121 VanDerWaalsContact O-CD1 3.26Å; L117-I121 WeakPolarHBondContact O-CD1 3.41Å; L117-I121 VanDerWaalsContact O-CG1 3.3Å; L117-I121 WeakPolarHBondContact O-CG1 3.4Å |
| 118 | W | 76.5 | Confident | 69.5 | Low | 163 Ų | 163 | 98.6 Ų | 98.6 | 62% | 0.617 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -73.8 | -33.1 | -178.9 | -166.5 | -93.6 | 0 | 0 | 0 | 112.7 | V114 W115 I121 T122 | V114-W118 WeakPolarHBondContact O-CB 3.44Å; V114-W118 PolarHBondContact O-N 3.46Å; W115-W118 PolarHBondContact O-N 2.85Å; W118-I121 PolarHBondContact O-N 2.95Å; W118-T122 HydrophobicContact CG-CG2 4.44Å; W118-T122 WeakPolarHBondContact O-CG2 3.38Å; W118-T122 PolarHBondContact O-N 3.41Å; W118-T122 PolarHBondContact O-OG1 3.4Å |
| 119 | Y | 72.9 | Confident | 70.7 | Confident | 123 Ų | 123 | 100.8 Ų | 100.8 | 48% | 0.482 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.2 | -51.7 | -179 | -166.3 | -103.9 | 0 | 0 | 0 | 114.1 | W115 I121 T122 I123 | W115-Y119 AromaticContact CH2-CD2 3.96Å; W115-Y119 HydrophobicContact CH2-CD2 3.96Å; W115-Y119 HydrophobicContact CH2-CE2 4.09Å; W115-Y119 HydrophobicContact CZ2-CD2 4.38Å; W115-Y119 HydrophobicContact CZ3-CD2 4.08Å; W115-Y119 HydrophobicContact CZ3-CE2 4.47Å; W115-Y119 HydrophobicContact CZ3-CG 4.47Å; W115-Y119 WeakPolarHBondContact O-CB 3.38Å; W115-Y119 PolarHBondContact O-N 2.92Å; Y119-I121 VanDerWaalsContact C-N 3.29Å; Y119-I121 PolarHBondContact O-N 3.2Å; Y119-T122 PolarHBondContact O-N 3.4Å; Y119-T122 PolarHBondContact O-OG1 2.79Å; Y119-I123 HydrophobicContact CD1-CD1 3.62Å; Y119-I123 HydrophobicContact CE1-CD1 3.28Å; Y119-I123 HydrophobicContact CE1-CG1 4.31Å; Y119-I123 HydrophobicContact CG-CD1 4.47Å; Y119-I123 WeakPolarHBondContact O-CG1 3.47Å; Y119-I123 PolarHBondContact O-N 2.8Å |
| 120 | P | 73.6 | Confident | 71.2 | Confident | 70 Ų | 70 | 105.8 Ų | 105.8 | 46% | 0.455 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.8 | -32.4 | 176 | 26.8 | -34.4 | 0 | 0 | 0 | 111.9 | I116 L117 T122 I123 L124 | I116-P120 WeakPolarHBondContact O-CD 3.34Å; I116-P120 WeakPolarHBondContact O-CG 3.47Å; L117-P120 WeakPolarHBondContact O-CD 3.42Å; L117-P120 WeakPolarHBondContact O-CG 3.45Å; P120-T122 VanDerWaalsContact C-N 3.33Å; P120-T122 PolarHBondContact O-N 2.65Å; P120-I123 PolarHBondContact O-N 2.97Å; P120-L124 VanDerWaalsContact O-CB 3.25Å; P120-L124 WeakPolarHBondContact O-CB 3.37Å; P120-L124 PolarHBondContact O-N 3.46Å |
| 121 | I | 77.1 | Confident | 71.6 | Confident | 96 Ų | 96 | 109.1 Ų | 109.1 | 49% | 0.492 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 175.3 | -64.2 | 169.7 | 0 | 0 | 0 | 110.5 | L117 W118 Y119 L124 R125 | L117-I121 VanDerWaalsContact O-CD1 3.26Å; L117-I121 WeakPolarHBondContact O-CD1 3.41Å; L117-I121 VanDerWaalsContact O-CG1 3.3Å; L117-I121 WeakPolarHBondContact O-CG1 3.4Å; W118-I121 PolarHBondContact O-N 2.95Å; Y119-I121 VanDerWaalsContact C-N 3.29Å; Y119-I121 PolarHBondContact O-N 3.2Å; I121-L124 PolarHBondContact O-N 3.34Å; I121-R125 WeakPolarHBondContact O-CB 3.28Å; I121-R125 PolarHBondContact O-N 2.99Å |
| 122 | T | 76.9 | Confident | 71.3 | Confident | 56 Ų | 56 | 112.5 Ų | 112.5 | 34% | 0.344 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -71.7 | -36.4 | 177 | 54.9 | 0 | 0 | 0 | 0 | 112.6 | W118 Y119 P120 R125 S126 | W118-T122 HydrophobicContact CG-CG2 4.44Å; W118-T122 WeakPolarHBondContact O-CG2 3.38Å; W118-T122 PolarHBondContact O-N 3.41Å; W118-T122 PolarHBondContact O-OG1 3.4Å; Y119-T122 PolarHBondContact O-N 3.4Å; Y119-T122 PolarHBondContact O-OG1 2.79Å; P120-T122 VanDerWaalsContact C-N 3.33Å; P120-T122 PolarHBondContact O-N 2.65Å; T122-R125 PolarHBondContact O-N 3.34Å; T122-S126 WeakPolarHBondContact O-CB 3.36Å; T122-S126 PolarHBondContact O-N 3.46Å |
| 123 | I | 77.6 | Confident | 70.7 | Confident | 68 Ų | 68 | 113.9 Ų | 113.9 | 35% | 0.349 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.8 | -47 | 171.2 | -70.4 | 171.6 | 0 | 0 | 0 | 110.7 | Y119 P120 R125 S126 F127 | Y119-I123 HydrophobicContact CD1-CD1 3.62Å; Y119-I123 HydrophobicContact CE1-CD1 3.28Å; Y119-I123 HydrophobicContact CE1-CG1 4.31Å; Y119-I123 HydrophobicContact CG-CD1 4.47Å; Y119-I123 WeakPolarHBondContact O-CG1 3.47Å; Y119-I123 PolarHBondContact O-N 2.8Å; P120-I123 PolarHBondContact O-N 2.97Å; I123-R125 VanDerWaalsContact C-N 3.29Å; I123-R125 PolarHBondContact O-N 3.2Å; I123-S126 CarbonylContact O-C 3.58Å; I123-S126 WeakPolarHBondContact O-CB 3.4Å; I123-S126 PolarHBondContact O-N 2.78Å; I123-S126 VanDerWaalsContact O-N 3.09Å; I123-F127 HydrophobicContact CG2-CD2 3.81Å; I123-F127 HydrophobicContact CG2-CE2 4.13Å; I123-F127 PolarHBondContact O-N 3.36Å |
| 124 | L | 77.5 | Confident | 70 | Confident | 128 Ų | 128 | 119.9 Ų | 119.9 | 67% | 0.67 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -60.5 | -41.5 | 178.4 | -170.1 | 71.2 | 0 | 0 | 0 | 110.8 | P120 I121 S126 F127 A128 | P120-L124 VanDerWaalsContact O-CB 3.25Å; P120-L124 WeakPolarHBondContact O-CB 3.37Å; P120-L124 PolarHBondContact O-N 3.46Å; I121-L124 PolarHBondContact O-N 3.34Å; L124-S126 PolarHBondContact O-N 3.39Å; L124-F127 PolarHBondContact O-N 2.96Å; L124-A128 VanDerWaalsContact O-CB 3.29Å; L124-A128 WeakPolarHBondContact O-CB 3.43Å; L124-A128 PolarHBondContact O-N 2.96Å |
| 125 | R | 78.3 | Confident | 69.3 | Low | 200 Ų | 200 | 122.3 Ų | 122.3 | 76% | 0.755 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.7 | -38.1 | 174 | -175.9 | 177.3 | 171 | 134.1 | -1.8 | 112.6 | I121 T122 I123 S129 | I121-R125 WeakPolarHBondContact O-CB 3.28Å; I121-R125 PolarHBondContact O-N 2.99Å; T122-R125 PolarHBondContact O-N 3.34Å; I123-R125 VanDerWaalsContact C-N 3.29Å; I123-R125 PolarHBondContact O-N 3.2Å; R125-S129 WeakPolarHBondContact O-CB 3.42Å; R125-S129 PolarHBondContact O-N 3.27Å |
| 126 | S | 76 | Confident | 68.5 | Low | 66 Ų | 66 | 118.8 Ų | 118.8 | 46% | 0.462 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -69.8 | -37.5 | 175.6 | -173.9 | 0 | 0 | 0 | 0 | 112.3 | T122 I123 L124 S129 K130 | T122-S126 WeakPolarHBondContact O-CB 3.36Å; T122-S126 PolarHBondContact O-N 3.46Å; I123-S126 CarbonylContact O-C 3.58Å; I123-S126 WeakPolarHBondContact O-CB 3.4Å; I123-S126 PolarHBondContact O-N 2.78Å; I123-S126 VanDerWaalsContact O-N 3.09Å; L124-S126 PolarHBondContact O-N 3.39Å; S126-S129 PolarHBondContact O-N 2.83Å; S126-S129 PolarHBondContact O-OG 2.86Å; S126-K130 PolarHBondContact O-N 2.93Å; S126-K130 VanDerWaalsContact O-N 3.1Å |
| 127 | F | 75.2 | Confident | 67.5 | Low | 112 Ų | 112 | 122.2 Ų | 122.2 | 49% | 0.491 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.1 | -45.2 | 172 | -98.8 | -88.5 | 0 | 0 | 0 | 111.6 | I123 L124 S129 K130 F131 | I123-F127 HydrophobicContact CG2-CD2 3.81Å; I123-F127 HydrophobicContact CG2-CE2 4.13Å; I123-F127 PolarHBondContact O-N 3.36Å; L124-F127 PolarHBondContact O-N 2.96Å; F127-S129 PolarHBondContact O-N 3.2Å; F127-K130 WeakPolarHBondContact O-CB 3.5Å; F127-K130 PolarHBondContact O-N 3.44Å; F127-K130 VanDerWaalsContact O-N 3.12Å; F127-F131 HydrophobicContact CD1-CD2 4.33Å; F127-F131 AromaticContact CD1-CE2 3.98Å; F127-F131 HydrophobicContact CD1-CE2 3.98Å; F127-F131 HydrophobicContact CE1-CE2 4.47Å; F127-F131 WeakPolarHBondContact O-CD2 3.2Å; F127-F131 PolarHBondContact O-N 2.87Å |
| 128 | A | 70.3 | Confident | 66.6 | Low | 64 Ų | 64 | 123.9 Ų | 123.9 | 53% | 0.529 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -60.8 | -34.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | L124 R132 | L124-A128 VanDerWaalsContact O-CB 3.29Å; L124-A128 WeakPolarHBondContact O-CB 3.43Å; L124-A128 PolarHBondContact O-N 2.96Å; A128-R132 PolarHBondContact O-N 3.47Å |
| 129 | S | 69.4 | Low | 65.6 | Low | 77 Ų | 77 | 121 Ų | 121 | 54% | 0.538 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -73.5 | -31.8 | 175.3 | 74.2 | 0 | 0 | 0 | 0 | 113.1 | R125 S126 F127 R132 | R125-S129 WeakPolarHBondContact O-CB 3.42Å; R125-S129 PolarHBondContact O-N 3.27Å; S126-S129 PolarHBondContact O-N 2.83Å; S126-S129 PolarHBondContact O-OG 2.86Å; F127-S129 PolarHBondContact O-N 3.2Å; S129-R132 WeakPolarHBondContact O-CB 3.35Å; S129-R132 PolarHBondContact O-N 3.33Å |
| 130 | K | 67.1 | Low | 65 | Low | 167 Ų | 167 | 118.6 Ų | 118.6 | 73% | 0.726 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.5 | -38.5 | 170.7 | -87.7 | -176.9 | 177.3 | -179.3 | 0 | 112.8 | S126 F127 R132 | S126-K130 PolarHBondContact O-N 2.93Å; S126-K130 VanDerWaalsContact O-N 3.1Å; F127-K130 WeakPolarHBondContact O-CB 3.5Å; F127-K130 PolarHBondContact O-N 3.44Å; F127-K130 VanDerWaalsContact O-N 3.12Å; K130-R132 VanDerWaalsContact C-N 3.31Å |
| 131 | F | 61.6 | Low | 64.3 | Low | 161 Ų | 161 | 122.9 Ų | 122.9 | 71% | 0.706 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -85.4 | -0.5 | 178.3 | -81.2 | -75.8 | 0 | 0 | 0 | 113.8 | F127 P133 | F127-F131 HydrophobicContact CD1-CD2 4.33Å; F127-F131 AromaticContact CD1-CE2 3.98Å; F127-F131 HydrophobicContact CD1-CE2 3.98Å; F127-F131 HydrophobicContact CE1-CE2 4.47Å; F127-F131 WeakPolarHBondContact O-CD2 3.2Å; F127-F131 PolarHBondContact O-N 2.87Å; F131-P133 WeakPolarHBondContact O-CD 3.48Å |
| 132 | R | 50.3 | Low | 63.6 | Low | 201 Ų | 201 | 123.5 Ų | 123.5 | 76% | 0.758 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -62 | 110.5 | 169.5 | -158.2 | 178.1 | -162.4 | -164.8 | 4.3 | 106.6 | A128 S129 K130 R134 | A128-R132 PolarHBondContact O-N 3.47Å; S129-R132 WeakPolarHBondContact O-CB 3.35Å; S129-R132 PolarHBondContact O-N 3.33Å; K130-R132 VanDerWaalsContact C-N 3.31Å; R132-R134 PolarHBondContact O-N 2.86Å |
| 133 | P | 51.7 | Low | 62.9 | Low | 112 Ų | 112 | 126.6 Ų | 126.6 | 73% | 0.727 | 61% | 0.608 | S | S | * | * | trans | -58.9 | 110.5 | -179.4 | 23.6 | -31.3 | 0 | 0 | 0 | 106.2 | F131 I135 | F131-P133 WeakPolarHBondContact O-CD 3.48Å; P133-I135 PolarHBondContact O-N 3.07Å | ||
| 134 | R | 51.9 | Low | 62.2 | Low | 201 Ų | 201 | 132 Ų | 132 | 76% | 0.758 | 62% | 0.624 | S | S | * | * | trans | -65.7 | 93.4 | 174.9 | -160.7 | -176.4 | -157.4 | -178.3 | 8.1 | 104.1 | R132 P136 | R132-R134 PolarHBondContact O-N 2.86Å; R134-P136 WeakPolarHBondContact O-CA 3.16Å; R134-P136 VanDerWaalsContact O-CD 3.32Å; R134-P136 WeakPolarHBondContact O-CD 3.5Å | ||
| 135 | I | 55.2 | Low | 61.6 | Low | 130 Ų | 130 | 130.9 Ų | 130.9 | 67% | 0.667 | 62% | 0.617 | S | S | * | * | trans | -41.3 | 110.9 | 175.5 | -66 | 164.3 | 0 | 0 | 0 | 105.6 | P133 R137 L139 | P133-I135 PolarHBondContact O-N 3.07Å; I135-R137 PolarHBondContact O-N 2.92Å; I135-R137 VanDerWaalsContact O-N 3.17Å; I135-L139 HydrophobicContact CG2-CD1 4.06Å | ||
| 136 | P | 48.2 | Very low | 61.1 | Low | 82 Ų | 82 | 125.2 Ų | 125.2 | 53% | 0.532 | 61% | 0.609 | S | S | . | * | trans | -61 | 129.1 | -166.8 | 18.6 | -29.6 | 0 | 0 | 0 | 107.9 | R134 F138 L139 | R134-P136 WeakPolarHBondContact O-CA 3.16Å; R134-P136 VanDerWaalsContact O-CD 3.32Å; R134-P136 WeakPolarHBondContact O-CD 3.5Å; P136-F138 PolarHBondContact O-N 2.93Å; P136-L139 PolarHBondContact O-N 3.07Å | ||
| 137 | R | 56.8 | Low | 60.7 | Low | 179 Ų | 179 | 127.2 Ų | 127.2 | 68% | 0.675 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.7 | -6.8 | 177.4 | -65.7 | 180 | -174.7 | 169 | -1.6 | 113.3 | I135 L139 T140 R141 | I135-R137 PolarHBondContact O-N 2.92Å; I135-R137 VanDerWaalsContact O-N 3.17Å; R137-L139 VanDerWaalsContact C-N 3.31Å; R137-L139 PolarHBondContact O-N 3.42Å; R137-T140 WeakPolarHBondContact CA-OG1 3.34Å; R137-T140 PolarHBondContact O-N 3.35Å; R137-T140 PolarHBondContact O-OG1 3.28Å; R137-R141 PolarHBondContact O-N 2.77Å; R137-R141 VanDerWaalsContact O-N 3.14Å |
| 138 | F | 54.6 | Low | 60.1 | Low | 146 Ų | 146 | 130.4 Ų | 130.4 | 64% | 0.64 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -57.1 | -41.5 | 168.3 | -98.2 | -82.6 | 0 | 0 | 0 | 112.5 | P136 T140 R141 I142 | P136-F138 PolarHBondContact O-N 2.93Å; F138-T140 VanDerWaalsContact C-N 3.29Å; F138-T140 PolarHBondContact O-N 3.12Å; F138-R141 PolarHBondContact O-N 3.21Å; F138-I142 WeakPolarHBondContact O-CG1 3.31Å; F138-I142 PolarHBondContact O-N 3Å |
| 139 | L | 54.6 | Low | 59.9 | Low | 101 Ų | 101 | 132.2 Ų | 132.2 | 53% | 0.529 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -59.7 | -41 | 174.9 | -89 | 159.8 | 0 | 0 | 0 | 111.6 | I135 P136 R137 R141 L143 | I135-L139 HydrophobicContact CG2-CD1 4.06Å; P136-L139 PolarHBondContact O-N 3.07Å; R137-L139 VanDerWaalsContact C-N 3.31Å; R137-L139 PolarHBondContact O-N 3.42Å; L139-R141 VanDerWaalsContact C-N 3.27Å; L139-R141 PolarHBondContact O-N 3.19Å; L139-L143 WeakPolarHBondContact O-CB 3Å; L139-L143 PolarHBondContact O-N 3.34Å; L139-L143 VanDerWaalsContact O-N 3.11Å |
| 140 | T | 61.5 | Low | 59.7 | Low | 73 Ų | 73 | 132.7 Ų | 132.7 | 45% | 0.448 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -69 | -23.9 | 177.4 | 60.7 | 0 | 0 | 0 | 0 | 113.5 | R137 F138 R144 | R137-T140 WeakPolarHBondContact CA-OG1 3.34Å; R137-T140 PolarHBondContact O-N 3.35Å; R137-T140 PolarHBondContact O-OG1 3.28Å; F138-T140 VanDerWaalsContact C-N 3.29Å; F138-T140 PolarHBondContact O-N 3.12Å; T140-R144 WeakPolarHBondContact O-CB 3.29Å; T140-R144 PolarHBondContact O-N 2.97Å |
| 141 | R | 58.4 | Low | 59.7 | Low | 160 Ų | 160 | 130.2 Ų | 130.2 | 60% | 0.604 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -85.7 | -38.4 | -179.7 | -151.5 | -172.8 | -76.8 | -179.9 | -4.2 | 111.6 | R137 F138 L139 R144 I145 | R137-R141 PolarHBondContact O-N 2.77Å; R137-R141 VanDerWaalsContact O-N 3.14Å; F138-R141 PolarHBondContact O-N 3.21Å; L139-R141 VanDerWaalsContact C-N 3.27Å; L139-R141 PolarHBondContact O-N 3.19Å; R141-R144 PolarHBondContact O-N 3.22Å; R141-I145 WeakPolarHBondContact O-CG1 3.25Å; R141-I145 PolarHBondContact O-N 3.07Å |
| 142 | I | 61.9 | Low | 59.6 | Low | 110 Ų | 110 | 130.2 Ų | 130.2 | 56% | 0.564 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63.8 | -45 | 173.2 | -62.7 | 170.2 | 0 | 0 | 0 | 110 | F138 R144 I145 S146 | F138-I142 WeakPolarHBondContact O-CG1 3.31Å; F138-I142 PolarHBondContact O-N 3Å; I142-R144 VanDerWaalsContact C-N 3.27Å; I142-R144 PolarHBondContact O-N 3.28Å; I142-I145 PolarHBondContact O-N 3.31Å; I142-S146 PolarHBondContact O-N 3.45Å |
| 143 | L | 62.2 | Low | 60.2 | Low | 121 Ų | 121 | 128 Ų | 128 | 63% | 0.634 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -58.7 | -38.1 | 173.7 | -89.9 | 156.8 | 0 | 0 | 0 | 112.5 | L139 S146 N147 | L139-L143 WeakPolarHBondContact O-CB 3Å; L139-L143 PolarHBondContact O-N 3.34Å; L139-L143 VanDerWaalsContact O-N 3.11Å; L143-S146 PolarHBondContact O-N 2.98Å; L143-N147 WeakPolarHBondContact O-CB 3.46Å; L143-N147 PolarHBondContact O-N 3.04Å |
| 144 | R | 64 | Low | 60.3 | Low | 180 Ų | 180 | 133.6 Ų | 133.6 | 68% | 0.679 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -73.7 | -31.6 | 179.8 | -156.7 | -176.4 | -61.8 | 171.3 | -3.1 | 113.2 | T140 R141 I142 R148 | T140-R144 WeakPolarHBondContact O-CB 3.29Å; T140-R144 PolarHBondContact O-N 2.97Å; R141-R144 PolarHBondContact O-N 3.22Å; I142-R144 VanDerWaalsContact C-N 3.27Å; I142-R144 PolarHBondContact O-N 3.28Å; R144-R148 WeakPolarHBondContact O-CB 3.28Å; R144-R148 PolarHBondContact O-N 3.32Å |
| 145 | I | 64.6 | Low | 60.7 | Low | 105 Ų | 105 | 130.3 Ų | 130.3 | 54% | 0.538 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -70.5 | -43.3 | 173.1 | -68.2 | 166.1 | 0 | 0 | 0 | 109.7 | R141 I142 N147 R148 N149 | R141-I145 WeakPolarHBondContact O-CG1 3.25Å; R141-I145 PolarHBondContact O-N 3.07Å; I142-I145 PolarHBondContact O-N 3.31Å; I145-N147 VanDerWaalsContact C-N 3.3Å; I145-N147 PolarHBondContact O-N 3.44Å; I145-R148 PolarHBondContact O-N 2.88Å; I145-N149 PolarHBondContact O-N 3.49Å |
| 146 | S | 67.4 | Low | 61 | Low | 82 Ų | 82 | 130.3 Ų | 130.3 | 57% | 0.573 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -58.2 | -42.8 | 175.8 | -166.8 | 0 | 0 | 0 | 0 | 111.9 | I142 L143 R148 T150 | I142-S146 PolarHBondContact O-N 3.45Å; L143-S146 PolarHBondContact O-N 2.98Å; S146-R148 VanDerWaalsContact C-N 3.33Å; S146-R148 PolarHBondContact O-N 3.47Å; S146-T150 PolarHBondContact O-OG1 2.76Å |
| 147 | N | 67.2 | Low | 61.7 | Low | 108 Ų | 108 | 132.9 Ų | 132.9 | 58% | 0.578 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -73.6 | -22 | -177.8 | -154.3 | 63.9 | 0 | 0 | 0 | 113.9 | L143 I145 T150 | L143-N147 WeakPolarHBondContact O-CB 3.46Å; L143-N147 PolarHBondContact O-N 3.04Å; I145-N147 VanDerWaalsContact C-N 3.3Å; I145-N147 PolarHBondContact O-N 3.44Å; N147-T150 VanDerWaalsContact C-OG1 3.3Å; N147-T150 PolarHBondContact O-OG1 2.99Å |
| 148 | R | 63.9 | Low | 62 | Low | 178 Ų | 178 | 130.2 Ų | 130.2 | 67% | 0.672 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -86.7 | -21.8 | -177.4 | -158.7 | 179.3 | -177.4 | -172.6 | 1.1 | 113.1 | R144 I145 S146 | R144-R148 WeakPolarHBondContact O-CB 3.28Å; R144-R148 PolarHBondContact O-N 3.32Å; I145-R148 PolarHBondContact O-N 2.88Å; S146-R148 VanDerWaalsContact C-N 3.33Å; S146-R148 PolarHBondContact O-N 3.47Å |
| 149 | N | 64.5 | Low | 62.5 | Low | 103 Ų | 103 | 129.3 Ų | 129.3 | 55% | 0.551 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -73.3 | -34.6 | 173.6 | -73.3 | 0.6 | 0 | 0 | 0 | 110.9 | I145 D151 K152 | I145-N149 PolarHBondContact O-N 3.49Å; N149-D151 VanDerWaalsContact C-N 3.3Å; N149-D151 PolarHBondContact O-N 3.21Å; N149-K152 PolarHBondContact O-N 3.3Å |
| 150 | T | 66.1 | Low | 63 | Low | 86 Ų | 86 | 131.1 Ų | 131.1 | 53% | 0.528 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -64.2 | -28.2 | 176 | 23.2 | 0 | 0 | 0 | 0 | 114.4 | S146 N147 | S146-T150 PolarHBondContact O-OG1 2.76Å; N147-T150 VanDerWaalsContact C-OG1 3.3Å; N147-T150 PolarHBondContact O-OG1 2.99Å |
| 151 | D | 66.2 | Low | 63.1 | Low | 116 Ų | 116 | 135.3 Ų | 135.3 | 62% | 0.62 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -8 | 179 | -80.9 | -21.2 | 0 | 0 | 0 | 113.9 | N149 | N149-D151 VanDerWaalsContact C-N 3.3Å; N149-D151 PolarHBondContact O-N 3.21Å |
| 152 | K | 60.6 | Low | 63.5 | Low | 161 Ų | 161 | 133.4 Ų | 133.4 | 70% | 0.7 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -14.3 | 178.8 | -78.2 | -169.7 | 174.4 | -173.7 | 0 | 114.1 | N149 Q154 | N149-K152 PolarHBondContact O-N 3.3Å; K152-Q154 VanDerWaalsContact C-N 3.32Å |
| 153 | D | 62.2 | Low | 63.6 | Low | 154 Ų | 154 | 135.3 Ų | 135.3 | 82% | 0.824 | 66% | 0.664 | S | S | * | * | trans | -95.9 | 13.5 | 179.7 | -67.3 | -23.3 | 0 | 0 | 0 | 112.1 | ||||
| 154 | Q | 54.4 | Low | 63.7 | Low | 230 Ų | 230 | 136.6 Ų | 136.6 | 100% | 1.075 | 67% | 0.667 | S | S | * | * | trans | -130.7 | 0 | 177.7 | -156.9 | 176.2 | -18.1 | 0 | 0 | 111 | K152 | K152-Q154 VanDerWaalsContact C-N 3.32Š|
Retrieved 154 of 154 residues in 331.4 ms
(Link to these results)